USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=16 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 51 TYR OH : rot -12:sc= 1.2 USER MOD Set 1.2: A 55 GLN : amide:sc= -0.758 K(o=0.44,f=-0.58!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.02 K(o=-0.02,f=-0.94) USER MOD Single : A 31 SER OG : rot -53:sc= 0.757 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -1.35 X(o=-1.3,f=-1.2) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 164:sc= -0.298 (180deg=-0.648) USER MOD Single : A 41 THR OG1 : rot -52:sc= 1.06 USER MOD Single : A 42 THR OG1 : rot 97:sc= 1.15 USER MOD Single : A 43 HIS : no HD1:sc= -0.273 X(o=-0.27,f=-0.049) USER MOD Single : A 45 LYS NZ :NH3+ -174:sc= 1.22 (180deg=1.17) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 171:sc= 0.894 (180deg=0.623) USER MOD Single : A 50 SER OG : rot 177:sc= 0.0959 USER MOD Single : A 52 CYS SG : rot 54:sc= 0.327 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 MET CE :methyl -104:sc= -0.0225 (180deg=-2.09!) USER MOD Single : A 60 ASN : amide:sc= 0.5 K(o=0.5,f=-3!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.372 X(o=-0.37,f=0) USER MOD Single : A 74 ASN : amide:sc= 0.512 K(o=0.51,f=-3.2!) USER MOD Single : A 75 HIS : no HD1:sc= 0.203 K(o=0.2,f=-2!) USER MOD Single : A 76 THR OG1 : rot -100:sc= -1.12 USER MOD Single : A 78 LYS NZ :NH3+ 160:sc= 1.28 (180deg=1.09) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot -98:sc= 1.28 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 290 N TYR A 21 78.887 9.336 -14.143 1.00 0.00 N ATOM 291 CA TYR A 21 78.879 8.112 -13.344 1.00 0.00 C ATOM 292 C TYR A 21 77.855 8.196 -12.210 1.00 0.00 C ATOM 293 O TYR A 21 77.569 9.279 -11.696 1.00 0.00 O ATOM 294 CB TYR A 21 80.286 7.837 -12.784 1.00 0.00 C ATOM 295 CG TYR A 21 80.642 8.653 -11.558 1.00 0.00 C ATOM 296 CD1 TYR A 21 80.684 8.067 -10.298 1.00 0.00 C ATOM 297 CD2 TYR A 21 80.937 10.008 -11.659 1.00 0.00 C ATOM 298 CE1 TYR A 21 81.008 8.805 -9.176 1.00 0.00 C ATOM 299 CE2 TYR A 21 81.262 10.753 -10.540 1.00 0.00 C ATOM 300 CZ TYR A 21 81.296 10.147 -9.303 1.00 0.00 C ATOM 301 OH TYR A 21 81.622 10.887 -8.189 1.00 0.00 O ATOM 0 HA TYR A 21 78.589 7.285 -13.991 1.00 0.00 H new ATOM 0 HB2 TYR A 21 80.365 6.778 -12.536 1.00 0.00 H new ATOM 0 HB3 TYR A 21 81.020 8.037 -13.565 1.00 0.00 H new ATOM 0 HD1 TYR A 21 80.459 7.016 -10.194 1.00 0.00 H new ATOM 0 HD2 TYR A 21 80.912 10.486 -12.627 1.00 0.00 H new ATOM 0 HE1 TYR A 21 81.035 8.333 -8.205 1.00 0.00 H new ATOM 0 HE2 TYR A 21 81.488 11.805 -10.635 1.00 0.00 H new ATOM 0 HH TYR A 21 81.798 11.815 -8.452 1.00 0.00 H new ATOM 311 N ILE A 22 77.299 7.049 -11.828 1.00 0.00 N ATOM 312 CA ILE A 22 76.309 6.998 -10.752 1.00 0.00 C ATOM 313 C ILE A 22 76.720 6.001 -9.668 1.00 0.00 C ATOM 314 O ILE A 22 77.598 5.161 -9.877 1.00 0.00 O ATOM 315 CB ILE A 22 74.905 6.621 -11.277 1.00 0.00 C ATOM 316 CG1 ILE A 22 74.969 5.352 -12.133 1.00 0.00 C ATOM 317 CG2 ILE A 22 74.303 7.773 -12.071 1.00 0.00 C ATOM 318 CD1 ILE A 22 73.658 4.598 -12.194 1.00 0.00 C ATOM 0 H ILE A 22 77.515 6.144 -12.245 1.00 0.00 H new ATOM 0 HA ILE A 22 76.266 8.000 -10.326 1.00 0.00 H new ATOM 0 HB ILE A 22 74.262 6.422 -10.419 1.00 0.00 H new ATOM 0 HG12 ILE A 22 75.272 5.621 -13.145 1.00 0.00 H new ATOM 0 HG13 ILE A 22 75.740 4.693 -11.734 1.00 0.00 H new ATOM 0 HG21 ILE A 22 73.315 7.489 -12.432 1.00 0.00 H new ATOM 0 HG22 ILE A 22 74.216 8.650 -11.430 1.00 0.00 H new ATOM 0 HG23 ILE A 22 74.946 8.005 -12.920 1.00 0.00 H new ATOM 0 HD11 ILE A 22 73.777 3.711 -12.817 1.00 0.00 H new ATOM 0 HD12 ILE A 22 73.364 4.298 -11.188 1.00 0.00 H new ATOM 0 HD13 ILE A 22 72.888 5.241 -12.621 1.00 0.00 H new ATOM 330 N LYS A 23 76.081 6.103 -8.506 1.00 0.00 N ATOM 331 CA LYS A 23 76.376 5.211 -7.385 1.00 0.00 C ATOM 332 C LYS A 23 75.288 4.147 -7.230 1.00 0.00 C ATOM 333 O LYS A 23 74.159 4.449 -6.841 1.00 0.00 O ATOM 334 CB LYS A 23 76.511 6.015 -6.087 1.00 0.00 C ATOM 335 CG LYS A 23 77.477 7.190 -6.180 1.00 0.00 C ATOM 336 CD LYS A 23 77.109 8.292 -5.200 1.00 0.00 C ATOM 337 CE LYS A 23 78.314 8.749 -4.394 1.00 0.00 C ATOM 338 NZ LYS A 23 78.141 10.133 -3.870 1.00 0.00 N ATOM 0 H LYS A 23 75.355 6.794 -8.314 1.00 0.00 H new ATOM 0 HA LYS A 23 77.321 4.709 -7.593 1.00 0.00 H new ATOM 0 HB2 LYS A 23 75.528 6.389 -5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 23 76.843 5.348 -5.292 1.00 0.00 H new ATOM 0 HG2 LYS A 23 78.491 6.846 -5.978 1.00 0.00 H new ATOM 0 HG3 LYS A 23 77.472 7.587 -7.195 1.00 0.00 H new ATOM 0 HD2 LYS A 23 76.692 9.139 -5.744 1.00 0.00 H new ATOM 0 HD3 LYS A 23 76.333 7.934 -4.524 1.00 0.00 H new ATOM 0 HE2 LYS A 23 78.475 8.064 -3.562 1.00 0.00 H new ATOM 0 HE3 LYS A 23 79.206 8.707 -5.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 78.984 10.406 -3.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 78.013 10.792 -4.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 77.305 10.168 -3.253 1.00 0.00 H new ATOM 352 N LEU A 24 75.640 2.901 -7.526 1.00 0.00 N ATOM 353 CA LEU A 24 74.697 1.787 -7.433 1.00 0.00 C ATOM 354 C LEU A 24 74.780 1.096 -6.070 1.00 0.00 C ATOM 355 O LEU A 24 75.867 0.934 -5.512 1.00 0.00 O ATOM 356 CB LEU A 24 74.988 0.764 -8.536 1.00 0.00 C ATOM 357 CG LEU A 24 74.048 0.815 -9.741 1.00 0.00 C ATOM 358 CD1 LEU A 24 74.784 1.335 -10.967 1.00 0.00 C ATOM 359 CD2 LEU A 24 73.466 -0.564 -10.014 1.00 0.00 C ATOM 0 H LEU A 24 76.575 2.634 -7.834 1.00 0.00 H new ATOM 0 HA LEU A 24 73.692 2.191 -7.554 1.00 0.00 H new ATOM 0 HB2 LEU A 24 76.009 0.913 -8.886 1.00 0.00 H new ATOM 0 HB3 LEU A 24 74.942 -0.235 -8.103 1.00 0.00 H new ATOM 0 HG LEU A 24 73.230 1.499 -9.516 1.00 0.00 H new ATOM 0 HD11 LEU A 24 74.101 1.365 -11.816 1.00 0.00 H new ATOM 0 HD12 LEU A 24 75.159 2.339 -10.768 1.00 0.00 H new ATOM 0 HD13 LEU A 24 75.620 0.674 -11.197 1.00 0.00 H new ATOM 0 HD21 LEU A 24 72.799 -0.513 -10.874 1.00 0.00 H new ATOM 0 HD22 LEU A 24 74.274 -1.265 -10.222 1.00 0.00 H new ATOM 0 HD23 LEU A 24 72.908 -0.903 -9.141 1.00 0.00 H new ATOM 371 N LYS A 25 73.626 0.693 -5.536 1.00 0.00 N ATOM 372 CA LYS A 25 73.577 0.003 -4.248 1.00 0.00 C ATOM 373 C LYS A 25 72.934 -1.374 -4.412 1.00 0.00 C ATOM 374 O LYS A 25 71.734 -1.487 -4.650 1.00 0.00 O ATOM 375 CB LYS A 25 72.799 0.828 -3.215 1.00 0.00 C ATOM 376 CG LYS A 25 73.658 1.423 -2.109 1.00 0.00 C ATOM 377 CD LYS A 25 72.984 2.627 -1.471 1.00 0.00 C ATOM 378 CE LYS A 25 73.673 3.038 -0.178 1.00 0.00 C ATOM 379 NZ LYS A 25 72.899 4.073 0.562 1.00 0.00 N ATOM 0 H LYS A 25 72.716 0.832 -5.975 1.00 0.00 H new ATOM 0 HA LYS A 25 74.598 -0.121 -3.888 1.00 0.00 H new ATOM 0 HB2 LYS A 25 72.280 1.637 -3.730 1.00 0.00 H new ATOM 0 HB3 LYS A 25 72.035 0.195 -2.764 1.00 0.00 H new ATOM 0 HG2 LYS A 25 73.850 0.666 -1.348 1.00 0.00 H new ATOM 0 HG3 LYS A 25 74.625 1.719 -2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 25 72.994 3.463 -2.170 1.00 0.00 H new ATOM 0 HD3 LYS A 25 71.939 2.394 -1.268 1.00 0.00 H new ATOM 0 HE2 LYS A 25 73.805 2.162 0.457 1.00 0.00 H new ATOM 0 HE3 LYS A 25 74.668 3.422 -0.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 73.403 4.325 1.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 72.794 4.919 -0.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 71.958 3.699 0.800 1.00 0.00 H new ATOM 393 N VAL A 26 73.748 -2.414 -4.294 1.00 0.00 N ATOM 394 CA VAL A 26 73.268 -3.791 -4.428 1.00 0.00 C ATOM 395 C VAL A 26 73.201 -4.488 -3.066 1.00 0.00 C ATOM 396 O VAL A 26 74.064 -4.278 -2.210 1.00 0.00 O ATOM 397 CB VAL A 26 74.172 -4.624 -5.370 1.00 0.00 C ATOM 398 CG1 VAL A 26 73.475 -5.902 -5.803 1.00 0.00 C ATOM 399 CG2 VAL A 26 74.587 -3.813 -6.591 1.00 0.00 C ATOM 0 H VAL A 26 74.747 -2.334 -4.105 1.00 0.00 H new ATOM 0 HA VAL A 26 72.268 -3.730 -4.857 1.00 0.00 H new ATOM 0 HB VAL A 26 75.070 -4.891 -4.812 1.00 0.00 H new ATOM 0 HG11 VAL A 26 74.131 -6.468 -6.464 1.00 0.00 H new ATOM 0 HG12 VAL A 26 73.238 -6.503 -4.925 1.00 0.00 H new ATOM 0 HG13 VAL A 26 72.555 -5.653 -6.332 1.00 0.00 H new ATOM 0 HG21 VAL A 26 75.221 -4.423 -7.235 1.00 0.00 H new ATOM 0 HG22 VAL A 26 73.699 -3.506 -7.143 1.00 0.00 H new ATOM 0 HG23 VAL A 26 75.139 -2.929 -6.270 1.00 0.00 H new ATOM 409 N ILE A 27 72.173 -5.309 -2.868 1.00 0.00 N ATOM 410 CA ILE A 27 72.007 -6.040 -1.609 1.00 0.00 C ATOM 411 C ILE A 27 72.433 -7.501 -1.775 1.00 0.00 C ATOM 412 O ILE A 27 71.862 -8.237 -2.580 1.00 0.00 O ATOM 413 CB ILE A 27 70.547 -5.998 -1.092 1.00 0.00 C ATOM 414 CG1 ILE A 27 69.996 -4.564 -1.090 1.00 0.00 C ATOM 415 CG2 ILE A 27 70.463 -6.590 0.308 1.00 0.00 C ATOM 416 CD1 ILE A 27 68.740 -4.404 -1.916 1.00 0.00 C ATOM 0 H ILE A 27 71.444 -5.486 -3.559 1.00 0.00 H new ATOM 0 HA ILE A 27 72.644 -5.545 -0.876 1.00 0.00 H new ATOM 0 HB ILE A 27 69.937 -6.595 -1.770 1.00 0.00 H new ATOM 0 HG12 ILE A 27 69.788 -4.264 -0.063 1.00 0.00 H new ATOM 0 HG13 ILE A 27 70.761 -3.888 -1.471 1.00 0.00 H new ATOM 0 HG21 ILE A 27 69.431 -6.553 0.657 1.00 0.00 H new ATOM 0 HG22 ILE A 27 70.802 -7.626 0.286 1.00 0.00 H new ATOM 0 HG23 ILE A 27 71.096 -6.015 0.985 1.00 0.00 H new ATOM 0 HD11 ILE A 27 68.405 -3.368 -1.871 1.00 0.00 H new ATOM 0 HD12 ILE A 27 68.949 -4.673 -2.951 1.00 0.00 H new ATOM 0 HD13 ILE A 27 67.960 -5.055 -1.522 1.00 0.00 H new ATOM 428 N GLY A 28 73.445 -7.905 -1.009 1.00 0.00 N ATOM 429 CA GLY A 28 73.944 -9.270 -1.080 1.00 0.00 C ATOM 430 C GLY A 28 73.056 -10.281 -0.368 1.00 0.00 C ATOM 431 O GLY A 28 72.157 -9.911 0.389 1.00 0.00 O ATOM 0 H GLY A 28 73.930 -7.309 -0.338 1.00 0.00 H new ATOM 0 HA2 GLY A 28 74.042 -9.558 -2.127 1.00 0.00 H new ATOM 0 HA3 GLY A 28 74.943 -9.306 -0.645 1.00 0.00 H new ATOM 435 N GLN A 29 73.336 -11.564 -0.595 1.00 0.00 N ATOM 436 CA GLN A 29 72.564 -12.660 0.009 1.00 0.00 C ATOM 437 C GLN A 29 72.650 -12.664 1.541 1.00 0.00 C ATOM 438 O GLN A 29 71.747 -13.155 2.216 1.00 0.00 O ATOM 439 CB GLN A 29 73.039 -14.014 -0.539 1.00 0.00 C ATOM 440 CG GLN A 29 74.551 -14.131 -0.689 1.00 0.00 C ATOM 441 CD GLN A 29 75.159 -15.151 0.256 1.00 0.00 C ATOM 442 OE1 GLN A 29 74.999 -15.067 1.469 1.00 0.00 O ATOM 443 NE2 GLN A 29 75.868 -16.122 -0.298 1.00 0.00 N ATOM 0 H GLN A 29 74.098 -11.876 -1.197 1.00 0.00 H new ATOM 0 HA GLN A 29 71.521 -12.497 -0.262 1.00 0.00 H new ATOM 0 HB2 GLN A 29 72.689 -14.805 0.124 1.00 0.00 H new ATOM 0 HB3 GLN A 29 72.574 -14.183 -1.510 1.00 0.00 H new ATOM 0 HG2 GLN A 29 74.789 -14.407 -1.716 1.00 0.00 H new ATOM 0 HG3 GLN A 29 75.006 -13.157 -0.507 1.00 0.00 H new ATOM 0 HE21 GLN A 29 75.979 -16.158 -1.311 1.00 0.00 H new ATOM 0 HE22 GLN A 29 76.304 -16.834 0.288 1.00 0.00 H new ATOM 452 N ASP A 30 73.731 -12.110 2.087 1.00 0.00 N ATOM 453 CA ASP A 30 73.915 -12.063 3.537 1.00 0.00 C ATOM 454 C ASP A 30 73.499 -10.703 4.119 1.00 0.00 C ATOM 455 O ASP A 30 74.000 -10.290 5.166 1.00 0.00 O ATOM 456 CB ASP A 30 75.369 -12.374 3.897 1.00 0.00 C ATOM 457 CG ASP A 30 75.499 -13.602 4.778 1.00 0.00 C ATOM 458 OD1 ASP A 30 74.480 -14.025 5.365 1.00 0.00 O ATOM 459 OD2 ASP A 30 76.623 -14.139 4.885 1.00 0.00 O ATOM 0 H ASP A 30 74.490 -11.689 1.551 1.00 0.00 H new ATOM 0 HA ASP A 30 73.268 -12.822 3.978 1.00 0.00 H new ATOM 0 HB2 ASP A 30 75.942 -12.525 2.982 1.00 0.00 H new ATOM 0 HB3 ASP A 30 75.805 -11.516 4.409 1.00 0.00 H new ATOM 464 N SER A 31 72.588 -10.015 3.420 1.00 0.00 N ATOM 465 CA SER A 31 72.074 -8.705 3.850 1.00 0.00 C ATOM 466 C SER A 31 73.176 -7.641 3.937 1.00 0.00 C ATOM 467 O SER A 31 73.254 -6.887 4.911 1.00 0.00 O ATOM 468 CB SER A 31 71.347 -8.827 5.196 1.00 0.00 C ATOM 469 OG SER A 31 70.779 -7.586 5.583 1.00 0.00 O ATOM 0 H SER A 31 72.186 -10.348 2.543 1.00 0.00 H new ATOM 0 HA SER A 31 71.368 -8.377 3.087 1.00 0.00 H new ATOM 0 HB2 SER A 31 70.564 -9.582 5.123 1.00 0.00 H new ATOM 0 HB3 SER A 31 72.046 -9.165 5.961 1.00 0.00 H new ATOM 0 HG SER A 31 71.469 -6.891 5.566 1.00 0.00 H new ATOM 475 N SER A 32 74.019 -7.570 2.912 1.00 0.00 N ATOM 476 CA SER A 32 75.100 -6.584 2.880 1.00 0.00 C ATOM 477 C SER A 32 74.911 -5.604 1.725 1.00 0.00 C ATOM 478 O SER A 32 74.597 -6.008 0.605 1.00 0.00 O ATOM 479 CB SER A 32 76.461 -7.269 2.758 1.00 0.00 C ATOM 480 OG SER A 32 77.398 -6.692 3.653 1.00 0.00 O ATOM 0 H SER A 32 73.977 -8.179 2.095 1.00 0.00 H new ATOM 0 HA SER A 32 75.068 -6.031 3.819 1.00 0.00 H new ATOM 0 HB2 SER A 32 76.358 -8.333 2.969 1.00 0.00 H new ATOM 0 HB3 SER A 32 76.827 -7.181 1.735 1.00 0.00 H new ATOM 0 HG SER A 32 78.262 -7.146 3.560 1.00 0.00 H new ATOM 486 N GLU A 33 75.104 -4.320 2.004 1.00 0.00 N ATOM 487 CA GLU A 33 74.947 -3.281 0.987 1.00 0.00 C ATOM 488 C GLU A 33 76.288 -2.926 0.343 1.00 0.00 C ATOM 489 O GLU A 33 77.242 -2.561 1.031 1.00 0.00 O ATOM 490 CB GLU A 33 74.319 -2.027 1.602 1.00 0.00 C ATOM 491 CG GLU A 33 73.026 -2.293 2.359 1.00 0.00 C ATOM 492 CD GLU A 33 73.140 -1.982 3.840 1.00 0.00 C ATOM 493 OE1 GLU A 33 73.814 -2.754 4.562 1.00 0.00 O ATOM 494 OE2 GLU A 33 72.562 -0.966 4.280 1.00 0.00 O ATOM 0 H GLU A 33 75.369 -3.971 2.925 1.00 0.00 H new ATOM 0 HA GLU A 33 74.288 -3.672 0.211 1.00 0.00 H new ATOM 0 HB2 GLU A 33 75.038 -1.568 2.281 1.00 0.00 H new ATOM 0 HB3 GLU A 33 74.123 -1.305 0.810 1.00 0.00 H new ATOM 0 HG2 GLU A 33 72.226 -1.692 1.926 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.744 -3.338 2.232 1.00 0.00 H new ATOM 501 N ILE A 34 76.359 -3.043 -0.979 1.00 0.00 N ATOM 502 CA ILE A 34 77.585 -2.725 -1.710 1.00 0.00 C ATOM 503 C ILE A 34 77.404 -1.466 -2.557 1.00 0.00 C ATOM 504 O ILE A 34 76.473 -1.375 -3.360 1.00 0.00 O ATOM 505 CB ILE A 34 78.041 -3.881 -2.632 1.00 0.00 C ATOM 506 CG1 ILE A 34 77.350 -5.202 -2.258 1.00 0.00 C ATOM 507 CG2 ILE A 34 79.558 -4.027 -2.586 1.00 0.00 C ATOM 508 CD1 ILE A 34 77.981 -5.925 -1.082 1.00 0.00 C ATOM 0 H ILE A 34 75.586 -3.355 -1.567 1.00 0.00 H new ATOM 0 HA ILE A 34 78.354 -2.562 -0.955 1.00 0.00 H new ATOM 0 HB ILE A 34 77.747 -3.637 -3.653 1.00 0.00 H new ATOM 0 HG12 ILE A 34 76.304 -4.999 -2.026 1.00 0.00 H new ATOM 0 HG13 ILE A 34 77.362 -5.863 -3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 34 79.865 -4.844 -3.239 1.00 0.00 H new ATOM 0 HG22 ILE A 34 80.023 -3.100 -2.921 1.00 0.00 H new ATOM 0 HG23 ILE A 34 79.872 -4.242 -1.565 1.00 0.00 H new ATOM 0 HD11 ILE A 34 77.433 -6.846 -0.885 1.00 0.00 H new ATOM 0 HD12 ILE A 34 79.019 -6.163 -1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 34 77.945 -5.286 -0.200 1.00 0.00 H new ATOM 520 N HIS A 35 78.298 -0.500 -2.374 1.00 0.00 N ATOM 521 CA HIS A 35 78.242 0.755 -3.121 1.00 0.00 C ATOM 522 C HIS A 35 79.287 0.782 -4.231 1.00 0.00 C ATOM 523 O HIS A 35 80.490 0.805 -3.968 1.00 0.00 O ATOM 524 CB HIS A 35 78.447 1.946 -2.180 1.00 0.00 C ATOM 525 CG HIS A 35 77.474 3.068 -2.394 1.00 0.00 C ATOM 526 ND1 HIS A 35 77.338 4.121 -1.517 1.00 0.00 N ATOM 527 CD2 HIS A 35 76.588 3.299 -3.393 1.00 0.00 C ATOM 528 CE1 HIS A 35 76.412 4.950 -1.961 1.00 0.00 C ATOM 529 NE2 HIS A 35 75.940 4.475 -3.099 1.00 0.00 N ATOM 0 H HIS A 35 79.073 -0.561 -1.713 1.00 0.00 H new ATOM 0 HA HIS A 35 77.255 0.828 -3.578 1.00 0.00 H new ATOM 0 HB2 HIS A 35 78.366 1.600 -1.150 1.00 0.00 H new ATOM 0 HB3 HIS A 35 79.460 2.328 -2.309 1.00 0.00 H new ATOM 0 HD2 HIS A 35 76.422 2.675 -4.259 1.00 0.00 H new ATOM 0 HE1 HIS A 35 76.094 5.861 -1.476 1.00 0.00 H new ATOM 0 HE2 HIS A 35 75.213 4.910 -3.667 1.00 0.00 H new ATOM 537 N PHE A 36 78.823 0.788 -5.475 1.00 0.00 N ATOM 538 CA PHE A 36 79.721 0.812 -6.625 1.00 0.00 C ATOM 539 C PHE A 36 79.456 2.026 -7.514 1.00 0.00 C ATOM 540 O PHE A 36 78.329 2.257 -7.951 1.00 0.00 O ATOM 541 CB PHE A 36 79.573 -0.474 -7.443 1.00 0.00 C ATOM 542 CG PHE A 36 80.710 -0.717 -8.397 1.00 0.00 C ATOM 543 CD1 PHE A 36 81.974 -1.026 -7.923 1.00 0.00 C ATOM 544 CD2 PHE A 36 80.514 -0.640 -9.766 1.00 0.00 C ATOM 545 CE1 PHE A 36 83.022 -1.251 -8.797 1.00 0.00 C ATOM 546 CE2 PHE A 36 81.555 -0.864 -10.644 1.00 0.00 C ATOM 547 CZ PHE A 36 82.811 -1.170 -10.159 1.00 0.00 C ATOM 0 H PHE A 36 77.831 0.777 -5.714 1.00 0.00 H new ATOM 0 HA PHE A 36 80.741 0.883 -6.247 1.00 0.00 H new ATOM 0 HB2 PHE A 36 79.495 -1.321 -6.761 1.00 0.00 H new ATOM 0 HB3 PHE A 36 78.641 -0.431 -8.006 1.00 0.00 H new ATOM 0 HD1 PHE A 36 82.143 -1.092 -6.858 1.00 0.00 H new ATOM 0 HD2 PHE A 36 79.534 -0.402 -10.151 1.00 0.00 H new ATOM 0 HE1 PHE A 36 84.004 -1.490 -8.415 1.00 0.00 H new ATOM 0 HE2 PHE A 36 81.387 -0.800 -11.709 1.00 0.00 H new ATOM 0 HZ PHE A 36 83.627 -1.346 -10.844 1.00 0.00 H new ATOM 557 N LYS A 37 80.506 2.800 -7.773 1.00 0.00 N ATOM 558 CA LYS A 37 80.395 3.983 -8.621 1.00 0.00 C ATOM 559 C LYS A 37 80.886 3.672 -10.036 1.00 0.00 C ATOM 560 O LYS A 37 82.062 3.363 -10.242 1.00 0.00 O ATOM 561 CB LYS A 37 81.187 5.155 -8.027 1.00 0.00 C ATOM 562 CG LYS A 37 82.456 4.741 -7.296 1.00 0.00 C ATOM 563 CD LYS A 37 83.551 5.784 -7.455 1.00 0.00 C ATOM 564 CE LYS A 37 84.820 5.372 -6.728 1.00 0.00 C ATOM 565 NZ LYS A 37 86.042 5.860 -7.425 1.00 0.00 N ATOM 0 H LYS A 37 81.443 2.629 -7.408 1.00 0.00 H new ATOM 0 HA LYS A 37 79.345 4.270 -8.671 1.00 0.00 H new ATOM 0 HB2 LYS A 37 81.451 5.844 -8.829 1.00 0.00 H new ATOM 0 HB3 LYS A 37 80.544 5.701 -7.336 1.00 0.00 H new ATOM 0 HG2 LYS A 37 82.238 4.598 -6.238 1.00 0.00 H new ATOM 0 HG3 LYS A 37 82.804 3.783 -7.682 1.00 0.00 H new ATOM 0 HD2 LYS A 37 83.767 5.928 -8.514 1.00 0.00 H new ATOM 0 HD3 LYS A 37 83.203 6.741 -7.067 1.00 0.00 H new ATOM 0 HE2 LYS A 37 84.800 5.765 -5.712 1.00 0.00 H new ATOM 0 HE3 LYS A 37 84.857 4.286 -6.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 86.886 5.558 -6.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 86.075 5.465 -8.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 86.020 6.898 -7.478 1.00 0.00 H new ATOM 579 N VAL A 38 79.983 3.752 -11.005 1.00 0.00 N ATOM 580 CA VAL A 38 80.330 3.459 -12.394 1.00 0.00 C ATOM 581 C VAL A 38 79.378 4.162 -13.373 1.00 0.00 C ATOM 582 O VAL A 38 78.330 4.676 -12.977 1.00 0.00 O ATOM 583 CB VAL A 38 80.327 1.924 -12.639 1.00 0.00 C ATOM 584 CG1 VAL A 38 78.930 1.411 -12.968 1.00 0.00 C ATOM 585 CG2 VAL A 38 81.316 1.540 -13.732 1.00 0.00 C ATOM 0 H VAL A 38 79.009 4.016 -10.858 1.00 0.00 H new ATOM 0 HA VAL A 38 81.334 3.844 -12.576 1.00 0.00 H new ATOM 0 HB VAL A 38 80.644 1.447 -11.712 1.00 0.00 H new ATOM 0 HG11 VAL A 38 78.967 0.334 -13.133 1.00 0.00 H new ATOM 0 HG12 VAL A 38 78.258 1.628 -12.138 1.00 0.00 H new ATOM 0 HG13 VAL A 38 78.564 1.904 -13.869 1.00 0.00 H new ATOM 0 HG21 VAL A 38 81.292 0.461 -13.881 1.00 0.00 H new ATOM 0 HG22 VAL A 38 81.044 2.041 -14.661 1.00 0.00 H new ATOM 0 HG23 VAL A 38 82.320 1.843 -13.437 1.00 0.00 H new ATOM 595 N LYS A 39 79.761 4.198 -14.650 1.00 0.00 N ATOM 596 CA LYS A 39 78.945 4.833 -15.683 1.00 0.00 C ATOM 597 C LYS A 39 77.747 3.958 -16.059 1.00 0.00 C ATOM 598 O LYS A 39 77.790 2.733 -15.917 1.00 0.00 O ATOM 599 CB LYS A 39 79.795 5.119 -16.925 1.00 0.00 C ATOM 600 CG LYS A 39 80.769 6.275 -16.744 1.00 0.00 C ATOM 601 CD LYS A 39 82.196 5.782 -16.558 1.00 0.00 C ATOM 602 CE LYS A 39 83.139 6.928 -16.226 1.00 0.00 C ATOM 603 NZ LYS A 39 84.019 6.611 -15.066 1.00 0.00 N ATOM 0 H LYS A 39 80.633 3.794 -14.993 1.00 0.00 H new ATOM 0 HA LYS A 39 78.566 5.773 -15.282 1.00 0.00 H new ATOM 0 HB2 LYS A 39 80.355 4.221 -17.187 1.00 0.00 H new ATOM 0 HB3 LYS A 39 79.135 5.339 -17.764 1.00 0.00 H new ATOM 0 HG2 LYS A 39 80.721 6.931 -17.613 1.00 0.00 H new ATOM 0 HG3 LYS A 39 80.473 6.869 -15.879 1.00 0.00 H new ATOM 0 HD2 LYS A 39 82.226 5.041 -15.759 1.00 0.00 H new ATOM 0 HD3 LYS A 39 82.532 5.284 -17.467 1.00 0.00 H new ATOM 0 HE2 LYS A 39 83.755 7.154 -17.097 1.00 0.00 H new ATOM 0 HE3 LYS A 39 82.558 7.823 -16.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 84.645 7.419 -14.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 83.433 6.420 -14.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 84.593 5.772 -15.285 1.00 0.00 H new ATOM 617 N MET A 40 76.690 4.589 -16.562 1.00 0.00 N ATOM 618 CA MET A 40 75.470 3.872 -16.943 1.00 0.00 C ATOM 619 C MET A 40 75.653 3.040 -18.226 1.00 0.00 C ATOM 620 O MET A 40 74.819 2.192 -18.541 1.00 0.00 O ATOM 621 CB MET A 40 74.318 4.859 -17.133 1.00 0.00 C ATOM 622 CG MET A 40 73.662 5.287 -15.828 1.00 0.00 C ATOM 623 SD MET A 40 72.246 6.383 -16.076 1.00 0.00 S ATOM 624 CE MET A 40 71.146 5.363 -17.061 1.00 0.00 C ATOM 0 H MET A 40 76.651 5.596 -16.717 1.00 0.00 H new ATOM 0 HA MET A 40 75.240 3.181 -16.132 1.00 0.00 H new ATOM 0 HB2 MET A 40 74.690 5.743 -17.650 1.00 0.00 H new ATOM 0 HB3 MET A 40 73.565 4.406 -17.777 1.00 0.00 H new ATOM 0 HG2 MET A 40 73.337 4.401 -15.283 1.00 0.00 H new ATOM 0 HG3 MET A 40 74.400 5.792 -15.205 1.00 0.00 H new ATOM 0 HE1 MET A 40 70.143 5.790 -17.046 1.00 0.00 H new ATOM 0 HE2 MET A 40 71.508 5.324 -18.088 1.00 0.00 H new ATOM 0 HE3 MET A 40 71.118 4.355 -16.648 1.00 0.00 H new ATOM 634 N THR A 41 76.733 3.289 -18.971 1.00 0.00 N ATOM 635 CA THR A 41 76.998 2.548 -20.208 1.00 0.00 C ATOM 636 C THR A 41 77.931 1.350 -19.972 1.00 0.00 C ATOM 637 O THR A 41 78.412 0.726 -20.921 1.00 0.00 O ATOM 638 CB THR A 41 77.605 3.466 -21.294 1.00 0.00 C ATOM 639 OG1 THR A 41 77.880 2.715 -22.483 1.00 0.00 O ATOM 640 CG2 THR A 41 78.887 4.127 -20.802 1.00 0.00 C ATOM 0 H THR A 41 77.434 3.993 -18.742 1.00 0.00 H new ATOM 0 HA THR A 41 76.035 2.172 -20.555 1.00 0.00 H new ATOM 0 HB THR A 41 76.876 4.245 -21.517 1.00 0.00 H new ATOM 0 HG1 THR A 41 78.408 1.922 -22.254 1.00 0.00 H new ATOM 0 HG21 THR A 41 79.291 4.766 -21.587 1.00 0.00 H new ATOM 0 HG22 THR A 41 78.671 4.729 -19.919 1.00 0.00 H new ATOM 0 HG23 THR A 41 79.618 3.359 -20.547 1.00 0.00 H new ATOM 648 N THR A 42 78.174 1.024 -18.705 1.00 0.00 N ATOM 649 CA THR A 42 79.049 -0.097 -18.355 1.00 0.00 C ATOM 650 C THR A 42 78.257 -1.393 -18.181 1.00 0.00 C ATOM 651 O THR A 42 77.077 -1.373 -17.834 1.00 0.00 O ATOM 652 CB THR A 42 79.838 0.182 -17.060 1.00 0.00 C ATOM 653 OG1 THR A 42 79.954 1.593 -16.846 1.00 0.00 O ATOM 654 CG2 THR A 42 81.229 -0.436 -17.125 1.00 0.00 C ATOM 0 H THR A 42 77.780 1.517 -17.904 1.00 0.00 H new ATOM 0 HA THR A 42 79.749 -0.211 -19.183 1.00 0.00 H new ATOM 0 HB THR A 42 79.293 -0.269 -16.231 1.00 0.00 H new ATOM 0 HG1 THR A 42 79.257 1.888 -16.224 1.00 0.00 H new ATOM 0 HG21 THR A 42 81.765 -0.225 -16.200 1.00 0.00 H new ATOM 0 HG22 THR A 42 81.142 -1.515 -17.256 1.00 0.00 H new ATOM 0 HG23 THR A 42 81.777 -0.011 -17.966 1.00 0.00 H new ATOM 662 N HIS A 43 78.921 -2.522 -18.425 1.00 0.00 N ATOM 663 CA HIS A 43 78.290 -3.837 -18.298 1.00 0.00 C ATOM 664 C HIS A 43 78.123 -4.234 -16.830 1.00 0.00 C ATOM 665 O HIS A 43 78.889 -3.794 -15.968 1.00 0.00 O ATOM 666 CB HIS A 43 79.121 -4.889 -19.033 1.00 0.00 C ATOM 667 CG HIS A 43 78.766 -5.030 -20.483 1.00 0.00 C ATOM 668 ND1 HIS A 43 79.558 -5.698 -21.391 1.00 0.00 N ATOM 669 CD2 HIS A 43 77.695 -4.584 -21.184 1.00 0.00 C ATOM 670 CE1 HIS A 43 78.996 -5.656 -22.585 1.00 0.00 C ATOM 671 NE2 HIS A 43 77.863 -4.985 -22.487 1.00 0.00 N ATOM 0 H HIS A 43 79.899 -2.553 -18.713 1.00 0.00 H new ATOM 0 HA HIS A 43 77.298 -3.780 -18.747 1.00 0.00 H new ATOM 0 HB2 HIS A 43 80.176 -4.629 -18.950 1.00 0.00 H new ATOM 0 HB3 HIS A 43 78.990 -5.852 -18.540 1.00 0.00 H new ATOM 0 HD2 HIS A 43 76.863 -4.018 -20.791 1.00 0.00 H new ATOM 0 HE1 HIS A 43 79.395 -6.095 -23.487 1.00 0.00 H new ATOM 0 HE2 HIS A 43 77.218 -4.795 -23.254 1.00 0.00 H new ATOM 679 N LEU A 44 77.136 -5.088 -16.549 1.00 0.00 N ATOM 680 CA LEU A 44 76.868 -5.527 -15.176 1.00 0.00 C ATOM 681 C LEU A 44 77.988 -6.406 -14.587 1.00 0.00 C ATOM 682 O LEU A 44 78.061 -6.574 -13.369 1.00 0.00 O ATOM 683 CB LEU A 44 75.531 -6.271 -15.115 1.00 0.00 C ATOM 684 CG LEU A 44 74.403 -5.534 -14.383 1.00 0.00 C ATOM 685 CD1 LEU A 44 74.735 -5.367 -12.909 1.00 0.00 C ATOM 686 CD2 LEU A 44 74.133 -4.179 -15.023 1.00 0.00 C ATOM 0 H LEU A 44 76.512 -5.488 -17.249 1.00 0.00 H new ATOM 0 HA LEU A 44 76.824 -4.626 -14.564 1.00 0.00 H new ATOM 0 HB2 LEU A 44 75.204 -6.481 -16.133 1.00 0.00 H new ATOM 0 HB3 LEU A 44 75.691 -7.232 -14.627 1.00 0.00 H new ATOM 0 HG LEU A 44 73.499 -6.138 -14.467 1.00 0.00 H new ATOM 0 HD11 LEU A 44 73.921 -4.842 -12.410 1.00 0.00 H new ATOM 0 HD12 LEU A 44 74.868 -6.348 -12.453 1.00 0.00 H new ATOM 0 HD13 LEU A 44 75.655 -4.792 -12.806 1.00 0.00 H new ATOM 0 HD21 LEU A 44 73.329 -3.676 -14.485 1.00 0.00 H new ATOM 0 HD22 LEU A 44 75.036 -3.569 -14.979 1.00 0.00 H new ATOM 0 HD23 LEU A 44 73.841 -4.320 -16.064 1.00 0.00 H new ATOM 698 N LYS A 45 78.870 -6.947 -15.436 1.00 0.00 N ATOM 699 CA LYS A 45 79.964 -7.804 -14.968 1.00 0.00 C ATOM 700 C LYS A 45 80.904 -7.059 -14.006 1.00 0.00 C ATOM 701 O LYS A 45 81.510 -7.672 -13.126 1.00 0.00 O ATOM 702 CB LYS A 45 80.749 -8.372 -16.163 1.00 0.00 C ATOM 703 CG LYS A 45 81.821 -7.441 -16.717 1.00 0.00 C ATOM 704 CD LYS A 45 83.204 -8.068 -16.635 1.00 0.00 C ATOM 705 CE LYS A 45 84.272 -7.032 -16.327 1.00 0.00 C ATOM 706 NZ LYS A 45 85.488 -7.648 -15.721 1.00 0.00 N ATOM 0 H LYS A 45 78.847 -6.807 -16.446 1.00 0.00 H new ATOM 0 HA LYS A 45 79.520 -8.630 -14.413 1.00 0.00 H new ATOM 0 HB2 LYS A 45 81.220 -9.307 -15.860 1.00 0.00 H new ATOM 0 HB3 LYS A 45 80.047 -8.612 -16.961 1.00 0.00 H new ATOM 0 HG2 LYS A 45 81.592 -7.198 -17.755 1.00 0.00 H new ATOM 0 HG3 LYS A 45 81.812 -6.504 -16.161 1.00 0.00 H new ATOM 0 HD2 LYS A 45 83.210 -8.838 -15.863 1.00 0.00 H new ATOM 0 HD3 LYS A 45 83.437 -8.561 -17.579 1.00 0.00 H new ATOM 0 HE2 LYS A 45 84.548 -6.511 -17.244 1.00 0.00 H new ATOM 0 HE3 LYS A 45 83.866 -6.284 -15.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 86.150 -6.899 -15.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 85.215 -8.208 -14.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 85.948 -8.267 -16.419 1.00 0.00 H new ATOM 720 N LYS A 46 81.010 -5.738 -14.166 1.00 0.00 N ATOM 721 CA LYS A 46 81.868 -4.926 -13.305 1.00 0.00 C ATOM 722 C LYS A 46 81.277 -4.804 -11.898 1.00 0.00 C ATOM 723 O LYS A 46 82.006 -4.754 -10.907 1.00 0.00 O ATOM 724 CB LYS A 46 82.058 -3.531 -13.910 1.00 0.00 C ATOM 725 CG LYS A 46 83.462 -3.277 -14.434 1.00 0.00 C ATOM 726 CD LYS A 46 83.907 -1.847 -14.170 1.00 0.00 C ATOM 727 CE LYS A 46 85.137 -1.487 -14.985 1.00 0.00 C ATOM 728 NZ LYS A 46 85.912 -0.376 -14.363 1.00 0.00 N ATOM 0 H LYS A 46 80.513 -5.210 -14.883 1.00 0.00 H new ATOM 0 HA LYS A 46 82.836 -5.422 -13.231 1.00 0.00 H new ATOM 0 HB2 LYS A 46 81.346 -3.398 -14.725 1.00 0.00 H new ATOM 0 HB3 LYS A 46 81.821 -2.782 -13.155 1.00 0.00 H new ATOM 0 HG2 LYS A 46 84.159 -3.969 -13.960 1.00 0.00 H new ATOM 0 HG3 LYS A 46 83.493 -3.477 -15.505 1.00 0.00 H new ATOM 0 HD2 LYS A 46 83.095 -1.162 -14.413 1.00 0.00 H new ATOM 0 HD3 LYS A 46 84.123 -1.722 -13.109 1.00 0.00 H new ATOM 0 HE2 LYS A 46 85.776 -2.364 -15.084 1.00 0.00 H new ATOM 0 HE3 LYS A 46 84.834 -1.199 -15.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 86.743 -0.161 -14.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 85.311 0.469 -14.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 86.224 -0.660 -13.412 1.00 0.00 H new ATOM 742 N LEU A 47 79.949 -4.774 -11.823 1.00 0.00 N ATOM 743 CA LEU A 47 79.250 -4.662 -10.545 1.00 0.00 C ATOM 744 C LEU A 47 79.219 -6.005 -9.811 1.00 0.00 C ATOM 745 O LEU A 47 79.481 -6.072 -8.608 1.00 0.00 O ATOM 746 CB LEU A 47 77.824 -4.159 -10.775 1.00 0.00 C ATOM 747 CG LEU A 47 77.607 -2.674 -10.480 1.00 0.00 C ATOM 748 CD1 LEU A 47 76.895 -1.996 -11.640 1.00 0.00 C ATOM 749 CD2 LEU A 47 76.820 -2.496 -9.192 1.00 0.00 C ATOM 0 H LEU A 47 79.333 -4.826 -12.635 1.00 0.00 H new ATOM 0 HA LEU A 47 79.791 -3.949 -9.923 1.00 0.00 H new ATOM 0 HB2 LEU A 47 77.550 -4.352 -11.812 1.00 0.00 H new ATOM 0 HB3 LEU A 47 77.145 -4.741 -10.152 1.00 0.00 H new ATOM 0 HG LEU A 47 78.582 -2.203 -10.355 1.00 0.00 H new ATOM 0 HD11 LEU A 47 76.750 -0.940 -11.411 1.00 0.00 H new ATOM 0 HD12 LEU A 47 77.498 -2.092 -12.543 1.00 0.00 H new ATOM 0 HD13 LEU A 47 75.926 -2.469 -11.799 1.00 0.00 H new ATOM 0 HD21 LEU A 47 76.675 -1.433 -8.998 1.00 0.00 H new ATOM 0 HD22 LEU A 47 75.850 -2.983 -9.288 1.00 0.00 H new ATOM 0 HD23 LEU A 47 77.370 -2.944 -8.365 1.00 0.00 H new ATOM 761 N LYS A 48 78.908 -7.074 -10.545 1.00 0.00 N ATOM 762 CA LYS A 48 78.843 -8.419 -9.968 1.00 0.00 C ATOM 763 C LYS A 48 80.216 -8.888 -9.467 1.00 0.00 C ATOM 764 O LYS A 48 80.322 -9.498 -8.401 1.00 0.00 O ATOM 765 CB LYS A 48 78.302 -9.413 -11.003 1.00 0.00 C ATOM 766 CG LYS A 48 76.787 -9.567 -10.980 1.00 0.00 C ATOM 767 CD LYS A 48 76.131 -8.888 -12.174 1.00 0.00 C ATOM 768 CE LYS A 48 76.400 -9.623 -13.485 1.00 0.00 C ATOM 769 NZ LYS A 48 76.498 -11.099 -13.306 1.00 0.00 N ATOM 0 H LYS A 48 78.697 -7.035 -11.542 1.00 0.00 H new ATOM 0 HA LYS A 48 78.168 -8.378 -9.113 1.00 0.00 H new ATOM 0 HB2 LYS A 48 78.609 -9.090 -11.998 1.00 0.00 H new ATOM 0 HB3 LYS A 48 78.759 -10.387 -10.829 1.00 0.00 H new ATOM 0 HG2 LYS A 48 76.529 -10.626 -10.978 1.00 0.00 H new ATOM 0 HG3 LYS A 48 76.392 -9.141 -10.058 1.00 0.00 H new ATOM 0 HD2 LYS A 48 75.055 -8.829 -12.008 1.00 0.00 H new ATOM 0 HD3 LYS A 48 76.498 -7.865 -12.253 1.00 0.00 H new ATOM 0 HE2 LYS A 48 75.602 -9.399 -14.193 1.00 0.00 H new ATOM 0 HE3 LYS A 48 77.327 -9.252 -13.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 76.528 -11.560 -14.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 77.364 -11.328 -12.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 75.670 -11.440 -12.777 1.00 0.00 H new ATOM 783 N GLU A 49 81.269 -8.587 -10.233 1.00 0.00 N ATOM 784 CA GLU A 49 82.633 -8.977 -9.864 1.00 0.00 C ATOM 785 C GLU A 49 83.111 -8.249 -8.602 1.00 0.00 C ATOM 786 O GLU A 49 83.852 -8.812 -7.798 1.00 0.00 O ATOM 787 CB GLU A 49 83.598 -8.690 -11.017 1.00 0.00 C ATOM 788 CG GLU A 49 84.242 -9.935 -11.608 1.00 0.00 C ATOM 789 CD GLU A 49 84.006 -10.064 -13.099 1.00 0.00 C ATOM 790 OE1 GLU A 49 82.995 -10.688 -13.490 1.00 0.00 O ATOM 791 OE2 GLU A 49 84.831 -9.540 -13.882 1.00 0.00 O ATOM 0 H GLU A 49 81.203 -8.074 -11.112 1.00 0.00 H new ATOM 0 HA GLU A 49 82.620 -10.047 -9.654 1.00 0.00 H new ATOM 0 HB2 GLU A 49 83.060 -8.163 -11.805 1.00 0.00 H new ATOM 0 HB3 GLU A 49 84.382 -8.021 -10.663 1.00 0.00 H new ATOM 0 HG2 GLU A 49 85.314 -9.911 -11.415 1.00 0.00 H new ATOM 0 HG3 GLU A 49 83.847 -10.817 -11.104 1.00 0.00 H new ATOM 798 N SER A 50 82.678 -7.000 -8.434 1.00 0.00 N ATOM 799 CA SER A 50 83.063 -6.205 -7.266 1.00 0.00 C ATOM 800 C SER A 50 82.388 -6.738 -6.005 1.00 0.00 C ATOM 801 O SER A 50 83.037 -6.950 -4.980 1.00 0.00 O ATOM 802 CB SER A 50 82.693 -4.735 -7.475 1.00 0.00 C ATOM 803 OG SER A 50 82.864 -3.988 -6.283 1.00 0.00 O ATOM 0 H SER A 50 82.063 -6.517 -9.089 1.00 0.00 H new ATOM 0 HA SER A 50 84.143 -6.283 -7.143 1.00 0.00 H new ATOM 0 HB2 SER A 50 83.312 -4.310 -8.265 1.00 0.00 H new ATOM 0 HB3 SER A 50 81.658 -4.662 -7.808 1.00 0.00 H new ATOM 0 HG SER A 50 82.668 -3.044 -6.458 1.00 0.00 H new ATOM 809 N TYR A 51 81.077 -6.956 -6.097 1.00 0.00 N ATOM 810 CA TYR A 51 80.293 -7.486 -4.975 1.00 0.00 C ATOM 811 C TYR A 51 80.827 -8.849 -4.499 1.00 0.00 C ATOM 812 O TYR A 51 80.841 -9.133 -3.300 1.00 0.00 O ATOM 813 CB TYR A 51 78.805 -7.606 -5.365 1.00 0.00 C ATOM 814 CG TYR A 51 78.084 -8.765 -4.710 1.00 0.00 C ATOM 815 CD1 TYR A 51 77.752 -8.729 -3.364 1.00 0.00 C ATOM 816 CD2 TYR A 51 77.750 -9.899 -5.437 1.00 0.00 C ATOM 817 CE1 TYR A 51 77.109 -9.787 -2.763 1.00 0.00 C ATOM 818 CE2 TYR A 51 77.101 -10.963 -4.840 1.00 0.00 C ATOM 819 CZ TYR A 51 76.782 -10.900 -3.500 1.00 0.00 C ATOM 820 OH TYR A 51 76.138 -11.953 -2.891 1.00 0.00 O ATOM 0 H TYR A 51 80.531 -6.774 -6.939 1.00 0.00 H new ATOM 0 HA TYR A 51 80.390 -6.783 -4.148 1.00 0.00 H new ATOM 0 HB2 TYR A 51 78.296 -6.679 -5.100 1.00 0.00 H new ATOM 0 HB3 TYR A 51 78.732 -7.712 -6.447 1.00 0.00 H new ATOM 0 HD1 TYR A 51 78.002 -7.857 -2.778 1.00 0.00 H new ATOM 0 HD2 TYR A 51 78.001 -9.951 -6.486 1.00 0.00 H new ATOM 0 HE1 TYR A 51 76.861 -9.743 -1.713 1.00 0.00 H new ATOM 0 HE2 TYR A 51 76.845 -11.838 -5.419 1.00 0.00 H new ATOM 0 HH TYR A 51 76.163 -11.833 -1.919 1.00 0.00 H new ATOM 830 N CYS A 52 81.267 -9.683 -5.447 1.00 0.00 N ATOM 831 CA CYS A 52 81.792 -11.029 -5.130 1.00 0.00 C ATOM 832 C CYS A 52 82.881 -11.000 -4.048 1.00 0.00 C ATOM 833 O CYS A 52 82.868 -11.826 -3.134 1.00 0.00 O ATOM 834 CB CYS A 52 82.342 -11.727 -6.384 1.00 0.00 C ATOM 835 SG CYS A 52 83.086 -13.342 -6.063 1.00 0.00 S ATOM 0 H CYS A 52 81.273 -9.456 -6.441 1.00 0.00 H new ATOM 0 HA CYS A 52 80.944 -11.594 -4.743 1.00 0.00 H new ATOM 0 HB2 CYS A 52 81.532 -11.848 -7.104 1.00 0.00 H new ATOM 0 HB3 CYS A 52 83.087 -11.081 -6.849 1.00 0.00 H new ATOM 0 HG CYS A 52 82.236 -14.092 -5.426 1.00 0.00 H new ATOM 841 N GLN A 53 83.810 -10.046 -4.145 1.00 0.00 N ATOM 842 CA GLN A 53 84.899 -9.937 -3.161 1.00 0.00 C ATOM 843 C GLN A 53 84.364 -9.557 -1.781 1.00 0.00 C ATOM 844 O GLN A 53 84.884 -10.006 -0.759 1.00 0.00 O ATOM 845 CB GLN A 53 85.955 -8.902 -3.580 1.00 0.00 C ATOM 846 CG GLN A 53 85.962 -8.551 -5.058 1.00 0.00 C ATOM 847 CD GLN A 53 87.242 -7.851 -5.471 1.00 0.00 C ATOM 848 OE1 GLN A 53 88.310 -8.458 -5.511 1.00 0.00 O ATOM 849 NE2 GLN A 53 87.146 -6.566 -5.771 1.00 0.00 N ATOM 0 H GLN A 53 83.834 -9.344 -4.884 1.00 0.00 H new ATOM 0 HA GLN A 53 85.366 -10.921 -3.117 1.00 0.00 H new ATOM 0 HB2 GLN A 53 85.794 -7.989 -3.006 1.00 0.00 H new ATOM 0 HB3 GLN A 53 86.940 -9.280 -3.308 1.00 0.00 H new ATOM 0 HG2 GLN A 53 85.840 -9.460 -5.647 1.00 0.00 H new ATOM 0 HG3 GLN A 53 85.110 -7.909 -5.282 1.00 0.00 H new ATOM 0 HE21 GLN A 53 86.241 -6.098 -5.726 1.00 0.00 H new ATOM 0 HE22 GLN A 53 87.977 -6.043 -6.048 1.00 0.00 H new ATOM 858 N ARG A 54 83.326 -8.725 -1.762 1.00 0.00 N ATOM 859 CA ARG A 54 82.719 -8.281 -0.511 1.00 0.00 C ATOM 860 C ARG A 54 81.994 -9.431 0.198 1.00 0.00 C ATOM 861 O ARG A 54 81.914 -9.463 1.425 1.00 0.00 O ATOM 862 CB ARG A 54 81.740 -7.134 -0.780 1.00 0.00 C ATOM 863 CG ARG A 54 82.098 -5.842 -0.064 1.00 0.00 C ATOM 864 CD ARG A 54 81.594 -5.843 1.371 1.00 0.00 C ATOM 865 NE ARG A 54 80.437 -4.966 1.547 1.00 0.00 N ATOM 866 CZ ARG A 54 79.872 -4.723 2.718 1.00 0.00 C ATOM 867 NH1 ARG A 54 80.326 -5.289 3.807 1.00 0.00 N ATOM 868 NH2 ARG A 54 78.842 -3.918 2.803 1.00 0.00 N ATOM 0 H ARG A 54 82.887 -8.344 -2.600 1.00 0.00 H new ATOM 0 HA ARG A 54 83.517 -7.931 0.143 1.00 0.00 H new ATOM 0 HB2 ARG A 54 81.702 -6.945 -1.853 1.00 0.00 H new ATOM 0 HB3 ARG A 54 80.740 -7.443 -0.475 1.00 0.00 H new ATOM 0 HG2 ARG A 54 83.180 -5.708 -0.071 1.00 0.00 H new ATOM 0 HG3 ARG A 54 81.669 -4.996 -0.601 1.00 0.00 H new ATOM 0 HD2 ARG A 54 81.326 -6.859 1.660 1.00 0.00 H new ATOM 0 HD3 ARG A 54 82.396 -5.523 2.037 1.00 0.00 H new ATOM 0 HE ARG A 54 80.044 -4.516 0.720 1.00 0.00 H new ATOM 0 HH11 ARG A 54 81.123 -5.924 3.758 1.00 0.00 H new ATOM 0 HH12 ARG A 54 79.883 -5.095 4.705 1.00 0.00 H new ATOM 0 HH21 ARG A 54 78.471 -3.474 1.963 1.00 0.00 H new ATOM 0 HH22 ARG A 54 78.411 -3.735 3.709 1.00 0.00 H new ATOM 882 N GLN A 55 81.464 -10.368 -0.585 1.00 0.00 N ATOM 883 CA GLN A 55 80.750 -11.523 -0.022 1.00 0.00 C ATOM 884 C GLN A 55 81.712 -12.677 0.307 1.00 0.00 C ATOM 885 O GLN A 55 81.688 -13.212 1.415 1.00 0.00 O ATOM 886 CB GLN A 55 79.633 -12.012 -0.967 1.00 0.00 C ATOM 887 CG GLN A 55 78.534 -12.804 -0.266 1.00 0.00 C ATOM 888 CD GLN A 55 77.506 -11.909 0.401 1.00 0.00 C ATOM 889 OE1 GLN A 55 76.509 -11.526 -0.209 1.00 0.00 O ATOM 890 NE2 GLN A 55 77.735 -11.579 1.660 1.00 0.00 N ATOM 0 H GLN A 55 81.512 -10.355 -1.604 1.00 0.00 H new ATOM 0 HA GLN A 55 80.290 -11.188 0.908 1.00 0.00 H new ATOM 0 HB2 GLN A 55 79.186 -11.150 -1.463 1.00 0.00 H new ATOM 0 HB3 GLN A 55 80.075 -12.634 -1.746 1.00 0.00 H new ATOM 0 HG2 GLN A 55 78.035 -13.447 -0.991 1.00 0.00 H new ATOM 0 HG3 GLN A 55 78.983 -13.457 0.483 1.00 0.00 H new ATOM 0 HE21 GLN A 55 78.574 -11.917 2.131 1.00 0.00 H new ATOM 0 HE22 GLN A 55 77.073 -10.986 2.160 1.00 0.00 H new ATOM 899 N GLY A 56 82.554 -13.064 -0.656 1.00 0.00 N ATOM 900 CA GLY A 56 83.501 -14.146 -0.425 1.00 0.00 C ATOM 901 C GLY A 56 82.977 -15.507 -0.865 1.00 0.00 C ATOM 902 O GLY A 56 83.346 -16.533 -0.297 1.00 0.00 O ATOM 0 H GLY A 56 82.596 -12.649 -1.587 1.00 0.00 H new ATOM 0 HA2 GLY A 56 84.426 -13.930 -0.959 1.00 0.00 H new ATOM 0 HA3 GLY A 56 83.747 -14.184 0.636 1.00 0.00 H new ATOM 906 N VAL A 57 82.123 -15.514 -1.884 1.00 0.00 N ATOM 907 CA VAL A 57 81.549 -16.758 -2.400 1.00 0.00 C ATOM 908 C VAL A 57 81.743 -16.865 -3.915 1.00 0.00 C ATOM 909 O VAL A 57 81.866 -15.851 -4.600 1.00 0.00 O ATOM 910 CB VAL A 57 80.040 -16.869 -2.080 1.00 0.00 C ATOM 911 CG1 VAL A 57 79.824 -17.278 -0.631 1.00 0.00 C ATOM 912 CG2 VAL A 57 79.325 -15.560 -2.383 1.00 0.00 C ATOM 0 H VAL A 57 81.811 -14.673 -2.371 1.00 0.00 H new ATOM 0 HA VAL A 57 82.075 -17.574 -1.904 1.00 0.00 H new ATOM 0 HB VAL A 57 79.615 -17.643 -2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 57 78.755 -17.350 -0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 57 80.293 -18.246 -0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 57 80.269 -16.532 0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 57 78.265 -15.662 -2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 57 79.754 -14.762 -1.777 1.00 0.00 H new ATOM 0 HG23 VAL A 57 79.443 -15.317 -3.439 1.00 0.00 H new ATOM 922 N PRO A 58 81.788 -18.103 -4.453 1.00 0.00 N ATOM 923 CA PRO A 58 81.958 -18.342 -5.896 1.00 0.00 C ATOM 924 C PRO A 58 80.907 -17.619 -6.747 1.00 0.00 C ATOM 925 O PRO A 58 79.719 -17.606 -6.412 1.00 0.00 O ATOM 926 CB PRO A 58 81.810 -19.865 -6.040 1.00 0.00 C ATOM 927 CG PRO A 58 81.254 -20.346 -4.739 1.00 0.00 C ATOM 928 CD PRO A 58 81.701 -19.362 -3.699 1.00 0.00 C ATOM 0 HA PRO A 58 82.916 -17.961 -6.250 1.00 0.00 H new ATOM 0 HB2 PRO A 58 81.145 -20.117 -6.866 1.00 0.00 H new ATOM 0 HB3 PRO A 58 82.772 -20.333 -6.251 1.00 0.00 H new ATOM 0 HG2 PRO A 58 80.166 -20.402 -4.778 1.00 0.00 H new ATOM 0 HG3 PRO A 58 81.617 -21.347 -4.508 1.00 0.00 H new ATOM 0 HD2 PRO A 58 80.989 -19.292 -2.877 1.00 0.00 H new ATOM 0 HD3 PRO A 58 82.662 -19.641 -3.266 1.00 0.00 H new ATOM 936 N MET A 59 81.357 -17.035 -7.856 1.00 0.00 N ATOM 937 CA MET A 59 80.477 -16.291 -8.767 1.00 0.00 C ATOM 938 C MET A 59 79.376 -17.173 -9.366 1.00 0.00 C ATOM 939 O MET A 59 78.273 -16.700 -9.634 1.00 0.00 O ATOM 940 CB MET A 59 81.300 -15.664 -9.896 1.00 0.00 C ATOM 941 CG MET A 59 81.833 -14.279 -9.566 1.00 0.00 C ATOM 942 SD MET A 59 80.543 -13.020 -9.568 1.00 0.00 S ATOM 943 CE MET A 59 80.569 -12.509 -11.283 1.00 0.00 C ATOM 0 H MET A 59 82.333 -17.061 -8.150 1.00 0.00 H new ATOM 0 HA MET A 59 79.993 -15.512 -8.179 1.00 0.00 H new ATOM 0 HB2 MET A 59 82.138 -16.320 -10.130 1.00 0.00 H new ATOM 0 HB3 MET A 59 80.683 -15.602 -10.793 1.00 0.00 H new ATOM 0 HG2 MET A 59 82.311 -14.302 -8.587 1.00 0.00 H new ATOM 0 HG3 MET A 59 82.601 -14.008 -10.290 1.00 0.00 H new ATOM 0 HE1 MET A 59 81.072 -11.546 -11.368 1.00 0.00 H new ATOM 0 HE2 MET A 59 81.104 -13.251 -11.876 1.00 0.00 H new ATOM 0 HE3 MET A 59 79.547 -12.419 -11.651 1.00 0.00 H new ATOM 953 N ASN A 60 79.674 -18.454 -9.563 1.00 0.00 N ATOM 954 CA ASN A 60 78.707 -19.393 -10.137 1.00 0.00 C ATOM 955 C ASN A 60 77.748 -19.958 -9.077 1.00 0.00 C ATOM 956 O ASN A 60 77.124 -20.997 -9.289 1.00 0.00 O ATOM 957 CB ASN A 60 79.441 -20.538 -10.839 1.00 0.00 C ATOM 958 CG ASN A 60 80.483 -21.197 -9.951 1.00 0.00 C ATOM 959 OD1 ASN A 60 81.489 -20.587 -9.596 1.00 0.00 O ATOM 960 ND2 ASN A 60 80.245 -22.445 -9.584 1.00 0.00 N ATOM 0 H ASN A 60 80.577 -18.869 -9.334 1.00 0.00 H new ATOM 0 HA ASN A 60 78.108 -18.841 -10.861 1.00 0.00 H new ATOM 0 HB2 ASN A 60 78.716 -21.287 -11.159 1.00 0.00 H new ATOM 0 HB3 ASN A 60 79.924 -20.157 -11.739 1.00 0.00 H new ATOM 0 HD21 ASN A 60 80.909 -22.936 -8.985 1.00 0.00 H new ATOM 0 HD22 ASN A 60 79.398 -22.917 -9.900 1.00 0.00 H new ATOM 967 N SER A 61 77.639 -19.273 -7.940 1.00 0.00 N ATOM 968 CA SER A 61 76.757 -19.719 -6.860 1.00 0.00 C ATOM 969 C SER A 61 75.761 -18.631 -6.443 1.00 0.00 C ATOM 970 O SER A 61 74.955 -18.834 -5.537 1.00 0.00 O ATOM 971 CB SER A 61 77.590 -20.147 -5.650 1.00 0.00 C ATOM 972 OG SER A 61 77.082 -21.336 -5.068 1.00 0.00 O ATOM 0 H SER A 61 78.147 -18.411 -7.742 1.00 0.00 H new ATOM 0 HA SER A 61 76.183 -20.567 -7.235 1.00 0.00 H new ATOM 0 HB2 SER A 61 78.625 -20.303 -5.955 1.00 0.00 H new ATOM 0 HB3 SER A 61 77.593 -19.349 -4.908 1.00 0.00 H new ATOM 0 HG SER A 61 77.635 -21.586 -4.299 1.00 0.00 H new ATOM 978 N LEU A 62 75.813 -17.475 -7.105 1.00 0.00 N ATOM 979 CA LEU A 62 74.906 -16.372 -6.781 1.00 0.00 C ATOM 980 C LEU A 62 74.191 -15.844 -8.027 1.00 0.00 C ATOM 981 O LEU A 62 74.733 -15.885 -9.133 1.00 0.00 O ATOM 982 CB LEU A 62 75.659 -15.231 -6.083 1.00 0.00 C ATOM 983 CG LEU A 62 76.993 -14.825 -6.723 1.00 0.00 C ATOM 984 CD1 LEU A 62 76.823 -13.590 -7.596 1.00 0.00 C ATOM 985 CD2 LEU A 62 78.040 -14.575 -5.649 1.00 0.00 C ATOM 0 H LEU A 62 76.467 -17.278 -7.862 1.00 0.00 H new ATOM 0 HA LEU A 62 74.152 -16.765 -6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 62 75.010 -14.356 -6.054 1.00 0.00 H new ATOM 0 HB3 LEU A 62 75.847 -15.523 -5.050 1.00 0.00 H new ATOM 0 HG LEU A 62 77.330 -15.645 -7.357 1.00 0.00 H new ATOM 0 HD11 LEU A 62 77.783 -13.322 -8.038 1.00 0.00 H new ATOM 0 HD12 LEU A 62 76.104 -13.800 -8.388 1.00 0.00 H new ATOM 0 HD13 LEU A 62 76.460 -12.762 -6.988 1.00 0.00 H new ATOM 0 HD21 LEU A 62 78.981 -14.288 -6.118 1.00 0.00 H new ATOM 0 HD22 LEU A 62 77.703 -13.774 -4.992 1.00 0.00 H new ATOM 0 HD23 LEU A 62 78.188 -15.484 -5.066 1.00 0.00 H new ATOM 997 N ARG A 63 72.972 -15.350 -7.840 1.00 0.00 N ATOM 998 CA ARG A 63 72.182 -14.806 -8.943 1.00 0.00 C ATOM 999 C ARG A 63 71.530 -13.476 -8.562 1.00 0.00 C ATOM 1000 O ARG A 63 70.922 -13.351 -7.497 1.00 0.00 O ATOM 1001 CB ARG A 63 71.108 -15.810 -9.384 1.00 0.00 C ATOM 1002 CG ARG A 63 70.389 -16.501 -8.233 1.00 0.00 C ATOM 1003 CD ARG A 63 68.913 -16.699 -8.536 1.00 0.00 C ATOM 1004 NE ARG A 63 68.234 -17.464 -7.493 1.00 0.00 N ATOM 1005 CZ ARG A 63 67.310 -18.380 -7.730 1.00 0.00 C ATOM 1006 NH1 ARG A 63 66.946 -18.662 -8.960 1.00 0.00 N ATOM 1007 NH2 ARG A 63 66.748 -19.020 -6.734 1.00 0.00 N ATOM 0 H ARG A 63 72.507 -15.314 -6.933 1.00 0.00 H new ATOM 0 HA ARG A 63 72.862 -14.624 -9.775 1.00 0.00 H new ATOM 0 HB2 ARG A 63 70.372 -15.291 -9.998 1.00 0.00 H new ATOM 0 HB3 ARG A 63 71.572 -16.568 -10.015 1.00 0.00 H new ATOM 0 HG2 ARG A 63 70.855 -17.467 -8.040 1.00 0.00 H new ATOM 0 HG3 ARG A 63 70.499 -15.907 -7.325 1.00 0.00 H new ATOM 0 HD2 ARG A 63 68.432 -15.727 -8.643 1.00 0.00 H new ATOM 0 HD3 ARG A 63 68.806 -17.214 -9.491 1.00 0.00 H new ATOM 0 HE ARG A 63 68.488 -17.280 -6.522 1.00 0.00 H new ATOM 0 HH11 ARG A 63 67.377 -18.173 -9.744 1.00 0.00 H new ATOM 0 HH12 ARG A 63 66.232 -19.370 -9.131 1.00 0.00 H new ATOM 0 HH21 ARG A 63 67.023 -18.812 -5.774 1.00 0.00 H new ATOM 0 HH22 ARG A 63 66.036 -19.726 -6.919 1.00 0.00 H new ATOM 1021 N LEU A 64 71.666 -12.481 -9.433 1.00 0.00 N ATOM 1022 CA LEU A 64 71.081 -11.162 -9.192 1.00 0.00 C ATOM 1023 C LEU A 64 69.732 -11.034 -9.912 1.00 0.00 C ATOM 1024 O LEU A 64 69.597 -11.419 -11.076 1.00 0.00 O ATOM 1025 CB LEU A 64 72.043 -10.048 -9.639 1.00 0.00 C ATOM 1026 CG LEU A 64 72.066 -9.757 -11.141 1.00 0.00 C ATOM 1027 CD1 LEU A 64 72.417 -8.301 -11.398 1.00 0.00 C ATOM 1028 CD2 LEU A 64 73.052 -10.677 -11.847 1.00 0.00 C ATOM 0 H LEU A 64 72.176 -12.561 -10.313 1.00 0.00 H new ATOM 0 HA LEU A 64 70.912 -11.053 -8.121 1.00 0.00 H new ATOM 0 HB2 LEU A 64 71.777 -9.131 -9.114 1.00 0.00 H new ATOM 0 HB3 LEU A 64 73.052 -10.315 -9.323 1.00 0.00 H new ATOM 0 HG LEU A 64 71.070 -9.946 -11.543 1.00 0.00 H new ATOM 0 HD11 LEU A 64 72.428 -8.114 -12.472 1.00 0.00 H new ATOM 0 HD12 LEU A 64 71.674 -7.659 -10.925 1.00 0.00 H new ATOM 0 HD13 LEU A 64 73.401 -8.085 -10.982 1.00 0.00 H new ATOM 0 HD21 LEU A 64 73.055 -10.456 -12.914 1.00 0.00 H new ATOM 0 HD22 LEU A 64 74.051 -10.520 -11.441 1.00 0.00 H new ATOM 0 HD23 LEU A 64 72.756 -11.715 -11.692 1.00 0.00 H new ATOM 1040 N LEU A 65 68.734 -10.506 -9.213 1.00 0.00 N ATOM 1041 CA LEU A 65 67.402 -10.345 -9.800 1.00 0.00 C ATOM 1042 C LEU A 65 66.731 -9.034 -9.380 1.00 0.00 C ATOM 1043 O LEU A 65 67.060 -8.447 -8.346 1.00 0.00 O ATOM 1044 CB LEU A 65 66.510 -11.585 -9.506 1.00 0.00 C ATOM 1045 CG LEU A 65 65.833 -11.721 -8.117 1.00 0.00 C ATOM 1046 CD1 LEU A 65 66.756 -11.342 -6.970 1.00 0.00 C ATOM 1047 CD2 LEU A 65 64.542 -10.918 -8.055 1.00 0.00 C ATOM 0 H LEU A 65 68.816 -10.184 -8.249 1.00 0.00 H new ATOM 0 HA LEU A 65 67.530 -10.281 -10.881 1.00 0.00 H new ATOM 0 HB2 LEU A 65 65.722 -11.607 -10.258 1.00 0.00 H new ATOM 0 HB3 LEU A 65 67.123 -12.473 -9.660 1.00 0.00 H new ATOM 0 HG LEU A 65 65.595 -12.778 -7.995 1.00 0.00 H new ATOM 0 HD11 LEU A 65 66.227 -11.457 -6.024 1.00 0.00 H new ATOM 0 HD12 LEU A 65 67.631 -11.991 -6.978 1.00 0.00 H new ATOM 0 HD13 LEU A 65 67.072 -10.305 -7.085 1.00 0.00 H new ATOM 0 HD21 LEU A 65 64.089 -11.032 -7.070 1.00 0.00 H new ATOM 0 HD22 LEU A 65 64.759 -9.865 -8.235 1.00 0.00 H new ATOM 0 HD23 LEU A 65 63.851 -11.281 -8.816 1.00 0.00 H new ATOM 1059 N PHE A 66 65.799 -8.570 -10.211 1.00 0.00 N ATOM 1060 CA PHE A 66 65.064 -7.335 -9.942 1.00 0.00 C ATOM 1061 C PHE A 66 63.585 -7.495 -10.299 1.00 0.00 C ATOM 1062 O PHE A 66 63.245 -7.729 -11.461 1.00 0.00 O ATOM 1063 CB PHE A 66 65.668 -6.172 -10.736 1.00 0.00 C ATOM 1064 CG PHE A 66 65.004 -4.852 -10.471 1.00 0.00 C ATOM 1065 CD1 PHE A 66 65.037 -4.283 -9.207 1.00 0.00 C ATOM 1066 CD2 PHE A 66 64.342 -4.179 -11.487 1.00 0.00 C ATOM 1067 CE1 PHE A 66 64.421 -3.070 -8.962 1.00 0.00 C ATOM 1068 CE2 PHE A 66 63.728 -2.966 -11.246 1.00 0.00 C ATOM 1069 CZ PHE A 66 63.767 -2.411 -9.984 1.00 0.00 C ATOM 0 H PHE A 66 65.534 -9.033 -11.080 1.00 0.00 H new ATOM 0 HA PHE A 66 65.144 -7.118 -8.877 1.00 0.00 H new ATOM 0 HB2 PHE A 66 66.728 -6.091 -10.495 1.00 0.00 H new ATOM 0 HB3 PHE A 66 65.600 -6.396 -11.801 1.00 0.00 H new ATOM 0 HD1 PHE A 66 65.550 -4.793 -8.405 1.00 0.00 H new ATOM 0 HD2 PHE A 66 64.306 -4.608 -12.477 1.00 0.00 H new ATOM 0 HE1 PHE A 66 64.451 -2.638 -7.972 1.00 0.00 H new ATOM 0 HE2 PHE A 66 63.217 -2.451 -12.046 1.00 0.00 H new ATOM 0 HZ PHE A 66 63.287 -1.462 -9.795 1.00 0.00 H new ATOM 1079 N GLU A 67 62.721 -7.378 -9.282 1.00 0.00 N ATOM 1080 CA GLU A 67 61.257 -7.499 -9.429 1.00 0.00 C ATOM 1081 C GLU A 67 60.827 -8.783 -10.171 1.00 0.00 C ATOM 1082 O GLU A 67 59.774 -8.831 -10.807 1.00 0.00 O ATOM 1083 CB GLU A 67 60.662 -6.233 -10.091 1.00 0.00 C ATOM 1084 CG GLU A 67 60.752 -6.187 -11.612 1.00 0.00 C ATOM 1085 CD GLU A 67 60.239 -4.881 -12.192 1.00 0.00 C ATOM 1086 OE1 GLU A 67 59.137 -4.445 -11.794 1.00 0.00 O ATOM 1087 OE2 GLU A 67 60.940 -4.293 -13.043 1.00 0.00 O ATOM 0 H GLU A 67 63.017 -7.195 -8.323 1.00 0.00 H new ATOM 0 HA GLU A 67 60.848 -7.584 -8.422 1.00 0.00 H new ATOM 0 HB2 GLU A 67 59.614 -6.152 -9.803 1.00 0.00 H new ATOM 0 HB3 GLU A 67 61.172 -5.359 -9.687 1.00 0.00 H new ATOM 0 HG2 GLU A 67 61.789 -6.331 -11.915 1.00 0.00 H new ATOM 0 HG3 GLU A 67 60.180 -7.015 -12.031 1.00 0.00 H new ATOM 1094 N GLY A 68 61.636 -9.838 -10.053 1.00 0.00 N ATOM 1095 CA GLY A 68 61.318 -11.101 -10.704 1.00 0.00 C ATOM 1096 C GLY A 68 62.109 -11.354 -11.981 1.00 0.00 C ATOM 1097 O GLY A 68 62.196 -12.493 -12.445 1.00 0.00 O ATOM 0 H GLY A 68 62.505 -9.840 -9.519 1.00 0.00 H new ATOM 0 HA2 GLY A 68 61.505 -11.916 -10.005 1.00 0.00 H new ATOM 0 HA3 GLY A 68 60.254 -11.120 -10.938 1.00 0.00 H new ATOM 1101 N GLN A 69 62.695 -10.306 -12.551 1.00 0.00 N ATOM 1102 CA GLN A 69 63.472 -10.450 -13.781 1.00 0.00 C ATOM 1103 C GLN A 69 64.967 -10.600 -13.482 1.00 0.00 C ATOM 1104 O GLN A 69 65.488 -10.011 -12.533 1.00 0.00 O ATOM 1105 CB GLN A 69 63.215 -9.257 -14.722 1.00 0.00 C ATOM 1106 CG GLN A 69 64.306 -8.193 -14.714 1.00 0.00 C ATOM 1107 CD GLN A 69 63.772 -6.811 -15.033 1.00 0.00 C ATOM 1108 OE1 GLN A 69 63.831 -6.354 -16.171 1.00 0.00 O ATOM 1109 NE2 GLN A 69 63.245 -6.135 -14.026 1.00 0.00 N ATOM 0 H GLN A 69 62.649 -9.355 -12.186 1.00 0.00 H new ATOM 0 HA GLN A 69 63.145 -11.361 -14.282 1.00 0.00 H new ATOM 0 HB2 GLN A 69 63.100 -9.632 -15.739 1.00 0.00 H new ATOM 0 HB3 GLN A 69 62.270 -8.791 -14.445 1.00 0.00 H new ATOM 0 HG2 GLN A 69 64.786 -8.177 -13.735 1.00 0.00 H new ATOM 0 HG3 GLN A 69 65.074 -8.459 -15.441 1.00 0.00 H new ATOM 0 HE21 GLN A 69 63.214 -6.549 -13.094 1.00 0.00 H new ATOM 0 HE22 GLN A 69 62.869 -5.199 -14.181 1.00 0.00 H new ATOM 1118 N ARG A 70 65.641 -11.414 -14.284 1.00 0.00 N ATOM 1119 CA ARG A 70 67.075 -11.646 -14.121 1.00 0.00 C ATOM 1120 C ARG A 70 67.883 -10.668 -14.980 1.00 0.00 C ATOM 1121 O ARG A 70 67.426 -10.231 -16.039 1.00 0.00 O ATOM 1122 CB ARG A 70 67.432 -13.096 -14.479 1.00 0.00 C ATOM 1123 CG ARG A 70 67.144 -13.472 -15.927 1.00 0.00 C ATOM 1124 CD ARG A 70 66.026 -14.505 -16.031 1.00 0.00 C ATOM 1125 NE ARG A 70 64.830 -14.109 -15.288 1.00 0.00 N ATOM 1126 CZ ARG A 70 63.648 -13.885 -15.845 1.00 0.00 C ATOM 1127 NH1 ARG A 70 63.482 -14.017 -17.138 1.00 0.00 N ATOM 1128 NH2 ARG A 70 62.627 -13.527 -15.103 1.00 0.00 N ATOM 0 H ARG A 70 65.218 -11.927 -15.057 1.00 0.00 H new ATOM 0 HA ARG A 70 67.330 -11.476 -13.075 1.00 0.00 H new ATOM 0 HB2 ARG A 70 68.491 -13.258 -14.277 1.00 0.00 H new ATOM 0 HB3 ARG A 70 66.877 -13.767 -13.824 1.00 0.00 H new ATOM 0 HG2 ARG A 70 66.867 -12.579 -16.487 1.00 0.00 H new ATOM 0 HG3 ARG A 70 68.049 -13.868 -16.387 1.00 0.00 H new ATOM 0 HD2 ARG A 70 65.767 -14.652 -17.080 1.00 0.00 H new ATOM 0 HD3 ARG A 70 66.384 -15.463 -15.654 1.00 0.00 H new ATOM 0 HE ARG A 70 64.910 -13.998 -14.277 1.00 0.00 H new ATOM 0 HH11 ARG A 70 64.267 -14.295 -17.727 1.00 0.00 H new ATOM 0 HH12 ARG A 70 62.568 -13.842 -17.555 1.00 0.00 H new ATOM 0 HH21 ARG A 70 62.742 -13.420 -14.095 1.00 0.00 H new ATOM 0 HH22 ARG A 70 61.719 -13.355 -15.534 1.00 0.00 H new ATOM 1142 N ILE A 71 69.082 -10.326 -14.522 1.00 0.00 N ATOM 1143 CA ILE A 71 69.933 -9.389 -15.251 1.00 0.00 C ATOM 1144 C ILE A 71 71.242 -10.051 -15.691 1.00 0.00 C ATOM 1145 O ILE A 71 71.993 -10.578 -14.871 1.00 0.00 O ATOM 1146 CB ILE A 71 70.248 -8.130 -14.401 1.00 0.00 C ATOM 1147 CG1 ILE A 71 68.968 -7.336 -14.112 1.00 0.00 C ATOM 1148 CG2 ILE A 71 71.262 -7.238 -15.103 1.00 0.00 C ATOM 1149 CD1 ILE A 71 68.368 -7.623 -12.752 1.00 0.00 C ATOM 0 H ILE A 71 69.486 -10.680 -13.655 1.00 0.00 H new ATOM 0 HA ILE A 71 69.378 -9.083 -16.138 1.00 0.00 H new ATOM 0 HB ILE A 71 70.675 -8.466 -13.456 1.00 0.00 H new ATOM 0 HG12 ILE A 71 69.187 -6.271 -14.185 1.00 0.00 H new ATOM 0 HG13 ILE A 71 68.229 -7.563 -14.881 1.00 0.00 H new ATOM 0 HG21 ILE A 71 71.465 -6.363 -14.486 1.00 0.00 H new ATOM 0 HG22 ILE A 71 72.187 -7.793 -15.261 1.00 0.00 H new ATOM 0 HG23 ILE A 71 70.861 -6.919 -16.065 1.00 0.00 H new ATOM 0 HD11 ILE A 71 67.466 -7.026 -12.619 1.00 0.00 H new ATOM 0 HD12 ILE A 71 68.116 -8.681 -12.681 1.00 0.00 H new ATOM 0 HD13 ILE A 71 69.089 -7.369 -11.975 1.00 0.00 H new ATOM 1161 N ALA A 72 71.496 -10.034 -16.995 1.00 0.00 N ATOM 1162 CA ALA A 72 72.714 -10.620 -17.551 1.00 0.00 C ATOM 1163 C ALA A 72 73.910 -9.666 -17.423 1.00 0.00 C ATOM 1164 O ALA A 72 73.748 -8.479 -17.139 1.00 0.00 O ATOM 1165 CB ALA A 72 72.494 -11.001 -19.008 1.00 0.00 C ATOM 0 H ALA A 72 70.874 -9.620 -17.690 1.00 0.00 H new ATOM 0 HA ALA A 72 72.945 -11.517 -16.977 1.00 0.00 H new ATOM 0 HB1 ALA A 72 73.408 -11.437 -19.412 1.00 0.00 H new ATOM 0 HB2 ALA A 72 71.685 -11.728 -19.076 1.00 0.00 H new ATOM 0 HB3 ALA A 72 72.232 -10.112 -19.581 1.00 0.00 H new ATOM 1171 N ASP A 73 75.110 -10.194 -17.666 1.00 0.00 N ATOM 1172 CA ASP A 73 76.343 -9.414 -17.567 1.00 0.00 C ATOM 1173 C ASP A 73 76.461 -8.393 -18.705 1.00 0.00 C ATOM 1174 O ASP A 73 77.088 -7.347 -18.547 1.00 0.00 O ATOM 1175 CB ASP A 73 77.559 -10.348 -17.580 1.00 0.00 C ATOM 1176 CG ASP A 73 77.271 -11.700 -16.954 1.00 0.00 C ATOM 1177 OD1 ASP A 73 77.473 -11.848 -15.730 1.00 0.00 O ATOM 1178 OD2 ASP A 73 76.829 -12.609 -17.689 1.00 0.00 O ATOM 0 H ASP A 73 75.254 -11.167 -17.935 1.00 0.00 H new ATOM 0 HA ASP A 73 76.312 -8.866 -16.626 1.00 0.00 H new ATOM 0 HB2 ASP A 73 77.889 -10.492 -18.609 1.00 0.00 H new ATOM 0 HB3 ASP A 73 78.381 -9.873 -17.045 1.00 0.00 H new ATOM 1183 N ASN A 74 75.850 -8.702 -19.850 1.00 0.00 N ATOM 1184 CA ASN A 74 75.891 -7.814 -21.012 1.00 0.00 C ATOM 1185 C ASN A 74 74.771 -6.767 -20.973 1.00 0.00 C ATOM 1186 O ASN A 74 74.536 -6.063 -21.954 1.00 0.00 O ATOM 1187 CB ASN A 74 75.804 -8.629 -22.309 1.00 0.00 C ATOM 1188 CG ASN A 74 74.604 -9.556 -22.344 1.00 0.00 C ATOM 1189 OD1 ASN A 74 74.487 -10.473 -21.535 1.00 0.00 O ATOM 1190 ND2 ASN A 74 73.700 -9.325 -23.284 1.00 0.00 N ATOM 0 H ASN A 74 75.321 -9.561 -19.997 1.00 0.00 H new ATOM 0 HA ASN A 74 76.842 -7.282 -20.982 1.00 0.00 H new ATOM 0 HB2 ASN A 74 75.755 -7.947 -23.158 1.00 0.00 H new ATOM 0 HB3 ASN A 74 76.715 -9.217 -22.425 1.00 0.00 H new ATOM 0 HD21 ASN A 74 72.873 -9.918 -23.353 1.00 0.00 H new ATOM 0 HD22 ASN A 74 73.831 -8.554 -23.939 1.00 0.00 H new ATOM 1197 N HIS A 75 74.089 -6.665 -19.835 1.00 0.00 N ATOM 1198 CA HIS A 75 73.002 -5.698 -19.674 1.00 0.00 C ATOM 1199 C HIS A 75 73.521 -4.380 -19.103 1.00 0.00 C ATOM 1200 O HIS A 75 74.501 -4.355 -18.361 1.00 0.00 O ATOM 1201 CB HIS A 75 71.921 -6.255 -18.745 1.00 0.00 C ATOM 1202 CG HIS A 75 70.881 -7.089 -19.433 1.00 0.00 C ATOM 1203 ND1 HIS A 75 69.971 -7.869 -18.751 1.00 0.00 N ATOM 1204 CD2 HIS A 75 70.599 -7.260 -20.748 1.00 0.00 C ATOM 1205 CE1 HIS A 75 69.177 -8.480 -19.610 1.00 0.00 C ATOM 1206 NE2 HIS A 75 69.536 -8.127 -20.831 1.00 0.00 N ATOM 0 H HIS A 75 74.268 -7.238 -19.011 1.00 0.00 H new ATOM 0 HA HIS A 75 72.576 -5.515 -20.660 1.00 0.00 H new ATOM 0 HB2 HIS A 75 72.399 -6.857 -17.972 1.00 0.00 H new ATOM 0 HB3 HIS A 75 71.428 -5.423 -18.242 1.00 0.00 H new ATOM 0 HD2 HIS A 75 71.115 -6.800 -21.578 1.00 0.00 H new ATOM 0 HE1 HIS A 75 68.371 -9.154 -19.358 1.00 0.00 H new ATOM 0 HE2 HIS A 75 69.096 -8.446 -21.694 1.00 0.00 H new ATOM 1214 N THR A 76 72.857 -3.286 -19.464 1.00 0.00 N ATOM 1215 CA THR A 76 73.231 -1.960 -18.974 1.00 0.00 C ATOM 1216 C THR A 76 72.003 -1.225 -18.438 1.00 0.00 C ATOM 1217 O THR A 76 70.885 -1.445 -18.914 1.00 0.00 O ATOM 1218 CB THR A 76 73.887 -1.094 -20.076 1.00 0.00 C ATOM 1219 OG1 THR A 76 72.962 -0.874 -21.148 1.00 0.00 O ATOM 1220 CG2 THR A 76 75.149 -1.751 -20.619 1.00 0.00 C ATOM 0 H THR A 76 72.056 -3.290 -20.095 1.00 0.00 H new ATOM 0 HA THR A 76 73.958 -2.113 -18.177 1.00 0.00 H new ATOM 0 HB THR A 76 74.162 -0.139 -19.628 1.00 0.00 H new ATOM 0 HG1 THR A 76 73.162 -1.489 -21.884 1.00 0.00 H new ATOM 0 HG21 THR A 76 75.586 -1.118 -21.391 1.00 0.00 H new ATOM 0 HG22 THR A 76 75.867 -1.884 -19.810 1.00 0.00 H new ATOM 0 HG23 THR A 76 74.899 -2.723 -21.045 1.00 0.00 H new ATOM 1228 N PRO A 77 72.184 -0.349 -17.429 1.00 0.00 N ATOM 1229 CA PRO A 77 71.079 0.425 -16.839 1.00 0.00 C ATOM 1230 C PRO A 77 70.319 1.264 -17.870 1.00 0.00 C ATOM 1231 O PRO A 77 69.106 1.445 -17.760 1.00 0.00 O ATOM 1232 CB PRO A 77 71.776 1.341 -15.830 1.00 0.00 C ATOM 1233 CG PRO A 77 73.065 0.661 -15.516 1.00 0.00 C ATOM 1234 CD PRO A 77 73.472 -0.060 -16.768 1.00 0.00 C ATOM 0 HA PRO A 77 70.328 -0.232 -16.400 1.00 0.00 H new ATOM 0 HB2 PRO A 77 71.945 2.333 -16.249 1.00 0.00 H new ATOM 0 HB3 PRO A 77 71.171 1.473 -14.933 1.00 0.00 H new ATOM 0 HG2 PRO A 77 73.824 1.384 -15.218 1.00 0.00 H new ATOM 0 HG3 PRO A 77 72.946 -0.036 -14.686 1.00 0.00 H new ATOM 0 HD2 PRO A 77 74.116 0.556 -17.395 1.00 0.00 H new ATOM 0 HD3 PRO A 77 74.023 -0.973 -16.545 1.00 0.00 H new ATOM 1242 N LYS A 78 71.038 1.766 -18.877 1.00 0.00 N ATOM 1243 CA LYS A 78 70.429 2.582 -19.926 1.00 0.00 C ATOM 1244 C LYS A 78 69.626 1.729 -20.918 1.00 0.00 C ATOM 1245 O LYS A 78 68.793 2.250 -21.663 1.00 0.00 O ATOM 1246 CB LYS A 78 71.501 3.395 -20.664 1.00 0.00 C ATOM 1247 CG LYS A 78 72.264 2.611 -21.724 1.00 0.00 C ATOM 1248 CD LYS A 78 72.294 3.348 -23.058 1.00 0.00 C ATOM 1249 CE LYS A 78 71.322 2.741 -24.058 1.00 0.00 C ATOM 1250 NZ LYS A 78 69.951 3.310 -23.922 1.00 0.00 N ATOM 0 H LYS A 78 72.042 1.621 -18.987 1.00 0.00 H new ATOM 0 HA LYS A 78 69.733 3.269 -19.444 1.00 0.00 H new ATOM 0 HB2 LYS A 78 71.027 4.255 -21.136 1.00 0.00 H new ATOM 0 HB3 LYS A 78 72.212 3.784 -19.935 1.00 0.00 H new ATOM 0 HG2 LYS A 78 73.284 2.435 -21.382 1.00 0.00 H new ATOM 0 HG3 LYS A 78 71.800 1.634 -21.858 1.00 0.00 H new ATOM 0 HD2 LYS A 78 72.045 4.397 -22.900 1.00 0.00 H new ATOM 0 HD3 LYS A 78 73.304 3.318 -23.468 1.00 0.00 H new ATOM 0 HE2 LYS A 78 71.688 2.915 -25.070 1.00 0.00 H new ATOM 0 HE3 LYS A 78 71.282 1.661 -23.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 69.417 3.143 -24.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 69.462 2.852 -23.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 70.016 4.333 -23.745 1.00 0.00 H new ATOM 1264 N GLU A 79 69.884 0.422 -20.934 1.00 0.00 N ATOM 1265 CA GLU A 79 69.169 -0.492 -21.825 1.00 0.00 C ATOM 1266 C GLU A 79 67.877 -0.965 -21.166 1.00 0.00 C ATOM 1267 O GLU A 79 66.816 -0.975 -21.788 1.00 0.00 O ATOM 1268 CB GLU A 79 70.048 -1.693 -22.178 1.00 0.00 C ATOM 1269 CG GLU A 79 69.690 -2.348 -23.504 1.00 0.00 C ATOM 1270 CD GLU A 79 70.006 -3.833 -23.532 1.00 0.00 C ATOM 1271 OE1 GLU A 79 70.102 -4.442 -22.442 1.00 0.00 O ATOM 1272 OE2 GLU A 79 70.154 -4.388 -24.639 1.00 0.00 O ATOM 0 H GLU A 79 70.582 -0.028 -20.341 1.00 0.00 H new ATOM 0 HA GLU A 79 68.924 0.041 -22.743 1.00 0.00 H new ATOM 0 HB2 GLU A 79 71.089 -1.372 -22.212 1.00 0.00 H new ATOM 0 HB3 GLU A 79 69.969 -2.435 -21.384 1.00 0.00 H new ATOM 0 HG2 GLU A 79 68.628 -2.204 -23.700 1.00 0.00 H new ATOM 0 HG3 GLU A 79 70.233 -1.851 -24.308 1.00 0.00 H new ATOM 1279 N LEU A 80 67.980 -1.365 -19.899 1.00 0.00 N ATOM 1280 CA LEU A 80 66.817 -1.825 -19.139 1.00 0.00 C ATOM 1281 C LEU A 80 65.912 -0.657 -18.710 1.00 0.00 C ATOM 1282 O LEU A 80 64.745 -0.863 -18.380 1.00 0.00 O ATOM 1283 CB LEU A 80 67.267 -2.612 -17.902 1.00 0.00 C ATOM 1284 CG LEU A 80 68.065 -3.887 -18.189 1.00 0.00 C ATOM 1285 CD1 LEU A 80 68.564 -4.507 -16.892 1.00 0.00 C ATOM 1286 CD2 LEU A 80 67.215 -4.885 -18.963 1.00 0.00 C ATOM 0 H LEU A 80 68.856 -1.380 -19.377 1.00 0.00 H new ATOM 0 HA LEU A 80 66.238 -2.474 -19.795 1.00 0.00 H new ATOM 0 HB2 LEU A 80 67.874 -1.957 -17.277 1.00 0.00 H new ATOM 0 HB3 LEU A 80 66.384 -2.879 -17.321 1.00 0.00 H new ATOM 0 HG LEU A 80 68.928 -3.622 -18.799 1.00 0.00 H new ATOM 0 HD11 LEU A 80 69.129 -5.412 -17.115 1.00 0.00 H new ATOM 0 HD12 LEU A 80 69.207 -3.796 -16.373 1.00 0.00 H new ATOM 0 HD13 LEU A 80 67.714 -4.757 -16.258 1.00 0.00 H new ATOM 0 HD21 LEU A 80 67.798 -5.785 -19.158 1.00 0.00 H new ATOM 0 HD22 LEU A 80 66.333 -5.144 -18.377 1.00 0.00 H new ATOM 0 HD23 LEU A 80 66.904 -4.442 -19.909 1.00 0.00 H new ATOM 1298 N GLY A 81 66.451 0.567 -18.716 1.00 0.00 N ATOM 1299 CA GLY A 81 65.674 1.730 -18.320 1.00 0.00 C ATOM 1300 C GLY A 81 65.544 1.854 -16.812 1.00 0.00 C ATOM 1301 O GLY A 81 64.456 2.103 -16.294 1.00 0.00 O ATOM 0 H GLY A 81 67.413 0.770 -18.989 1.00 0.00 H new ATOM 0 HA2 GLY A 81 66.144 2.630 -18.716 1.00 0.00 H new ATOM 0 HA3 GLY A 81 64.680 1.668 -18.764 1.00 0.00 H new ATOM 1305 N MET A 82 66.657 1.690 -16.105 1.00 0.00 N ATOM 1306 CA MET A 82 66.647 1.768 -14.647 1.00 0.00 C ATOM 1307 C MET A 82 67.288 3.060 -14.134 1.00 0.00 C ATOM 1308 O MET A 82 68.483 3.297 -14.320 1.00 0.00 O ATOM 1309 CB MET A 82 67.371 0.558 -14.054 1.00 0.00 C ATOM 1310 CG MET A 82 66.489 -0.673 -13.909 1.00 0.00 C ATOM 1311 SD MET A 82 66.852 -1.613 -12.414 1.00 0.00 S ATOM 1312 CE MET A 82 67.767 -2.995 -13.096 1.00 0.00 C ATOM 0 H MET A 82 67.573 1.503 -16.514 1.00 0.00 H new ATOM 0 HA MET A 82 65.605 1.768 -14.327 1.00 0.00 H new ATOM 0 HB2 MET A 82 68.224 0.310 -14.686 1.00 0.00 H new ATOM 0 HB3 MET A 82 67.768 0.827 -13.075 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.443 -0.367 -13.896 1.00 0.00 H new ATOM 0 HG3 MET A 82 66.622 -1.316 -14.779 1.00 0.00 H new ATOM 0 HE1 MET A 82 68.062 -3.668 -12.291 1.00 0.00 H new ATOM 0 HE2 MET A 82 67.139 -3.532 -13.807 1.00 0.00 H new ATOM 0 HE3 MET A 82 68.657 -2.626 -13.605 1.00 0.00 H new ATOM 1322 N GLU A 83 66.481 3.883 -13.474 1.00 0.00 N ATOM 1323 CA GLU A 83 66.947 5.143 -12.900 1.00 0.00 C ATOM 1324 C GLU A 83 66.462 5.254 -11.452 1.00 0.00 C ATOM 1325 O GLU A 83 65.264 5.108 -11.194 1.00 0.00 O ATOM 1326 CB GLU A 83 66.444 6.330 -13.733 1.00 0.00 C ATOM 1327 CG GLU A 83 66.448 7.659 -12.990 1.00 0.00 C ATOM 1328 CD GLU A 83 67.555 8.586 -13.455 1.00 0.00 C ATOM 1329 OE1 GLU A 83 68.703 8.419 -12.989 1.00 0.00 O ATOM 1330 OE2 GLU A 83 67.277 9.479 -14.282 1.00 0.00 O ATOM 0 H GLU A 83 65.490 3.698 -13.321 1.00 0.00 H new ATOM 0 HA GLU A 83 68.037 5.162 -12.911 1.00 0.00 H new ATOM 0 HB2 GLU A 83 67.064 6.423 -14.624 1.00 0.00 H new ATOM 0 HB3 GLU A 83 65.430 6.118 -14.071 1.00 0.00 H new ATOM 0 HG2 GLU A 83 65.485 8.151 -13.129 1.00 0.00 H new ATOM 0 HG3 GLU A 83 66.560 7.473 -11.922 1.00 0.00 H new ATOM 1337 N GLU A 84 67.394 5.496 -10.516 1.00 0.00 N ATOM 1338 CA GLU A 84 67.078 5.603 -9.075 1.00 0.00 C ATOM 1339 C GLU A 84 66.699 4.236 -8.476 1.00 0.00 C ATOM 1340 O GLU A 84 67.238 3.827 -7.451 1.00 0.00 O ATOM 1341 CB GLU A 84 65.963 6.627 -8.823 1.00 0.00 C ATOM 1342 CG GLU A 84 66.476 8.037 -8.574 1.00 0.00 C ATOM 1343 CD GLU A 84 65.516 9.104 -9.069 1.00 0.00 C ATOM 1344 OE1 GLU A 84 64.592 9.469 -8.313 1.00 0.00 O ATOM 1345 OE2 GLU A 84 65.691 9.576 -10.213 1.00 0.00 O ATOM 0 H GLU A 84 68.383 5.623 -10.731 1.00 0.00 H new ATOM 0 HA GLU A 84 67.981 5.951 -8.574 1.00 0.00 H new ATOM 0 HB2 GLU A 84 65.292 6.640 -9.682 1.00 0.00 H new ATOM 0 HB3 GLU A 84 65.374 6.306 -7.963 1.00 0.00 H new ATOM 0 HG2 GLU A 84 66.647 8.174 -7.506 1.00 0.00 H new ATOM 0 HG3 GLU A 84 67.439 8.162 -9.069 1.00 0.00 H new ATOM 1352 N GLU A 85 65.775 3.535 -9.136 1.00 0.00 N ATOM 1353 CA GLU A 85 65.325 2.207 -8.706 1.00 0.00 C ATOM 1354 C GLU A 85 66.337 1.120 -9.103 1.00 0.00 C ATOM 1355 O GLU A 85 66.063 -0.069 -8.971 1.00 0.00 O ATOM 1356 CB GLU A 85 63.946 1.885 -9.298 1.00 0.00 C ATOM 1357 CG GLU A 85 63.042 1.112 -8.351 1.00 0.00 C ATOM 1358 CD GLU A 85 62.003 1.992 -7.682 1.00 0.00 C ATOM 1359 OE1 GLU A 85 60.899 2.144 -8.244 1.00 0.00 O ATOM 1360 OE2 GLU A 85 62.297 2.531 -6.592 1.00 0.00 O ATOM 0 H GLU A 85 65.317 3.871 -9.983 1.00 0.00 H new ATOM 0 HA GLU A 85 65.248 2.220 -7.619 1.00 0.00 H new ATOM 0 HB2 GLU A 85 63.454 2.816 -9.578 1.00 0.00 H new ATOM 0 HB3 GLU A 85 64.079 1.307 -10.213 1.00 0.00 H new ATOM 0 HG2 GLU A 85 62.538 0.318 -8.903 1.00 0.00 H new ATOM 0 HG3 GLU A 85 63.651 0.631 -7.586 1.00 0.00 H new ATOM 1367 N ASP A 86 67.495 1.553 -9.614 1.00 0.00 N ATOM 1368 CA ASP A 86 68.582 0.659 -10.058 1.00 0.00 C ATOM 1369 C ASP A 86 69.172 -0.221 -8.927 1.00 0.00 C ATOM 1370 O ASP A 86 70.256 -0.781 -9.076 1.00 0.00 O ATOM 1371 CB ASP A 86 69.694 1.499 -10.695 1.00 0.00 C ATOM 1372 CG ASP A 86 70.423 0.768 -11.810 1.00 0.00 C ATOM 1373 OD1 ASP A 86 69.971 -0.329 -12.201 1.00 0.00 O ATOM 1374 OD2 ASP A 86 71.444 1.297 -12.294 1.00 0.00 O ATOM 0 H ASP A 86 67.711 2.543 -9.734 1.00 0.00 H new ATOM 0 HA ASP A 86 68.147 -0.031 -10.781 1.00 0.00 H new ATOM 0 HB2 ASP A 86 69.265 2.420 -11.091 1.00 0.00 H new ATOM 0 HB3 ASP A 86 70.411 1.786 -9.926 1.00 0.00 H new ATOM 1379 N VAL A 87 68.462 -0.333 -7.809 1.00 0.00 N ATOM 1380 CA VAL A 87 68.909 -1.145 -6.678 1.00 0.00 C ATOM 1381 C VAL A 87 68.573 -2.622 -6.926 1.00 0.00 C ATOM 1382 O VAL A 87 67.404 -3.010 -6.965 1.00 0.00 O ATOM 1383 CB VAL A 87 68.224 -0.672 -5.376 1.00 0.00 C ATOM 1384 CG1 VAL A 87 68.560 -1.586 -4.208 1.00 0.00 C ATOM 1385 CG2 VAL A 87 68.600 0.769 -5.065 1.00 0.00 C ATOM 0 H VAL A 87 67.567 0.132 -7.660 1.00 0.00 H new ATOM 0 HA VAL A 87 69.988 -1.032 -6.575 1.00 0.00 H new ATOM 0 HB VAL A 87 67.146 -0.719 -5.530 1.00 0.00 H new ATOM 0 HG11 VAL A 87 68.062 -1.225 -3.308 1.00 0.00 H new ATOM 0 HG12 VAL A 87 68.221 -2.598 -4.429 1.00 0.00 H new ATOM 0 HG13 VAL A 87 69.638 -1.591 -4.049 1.00 0.00 H new ATOM 0 HG21 VAL A 87 68.108 1.083 -4.145 1.00 0.00 H new ATOM 0 HG22 VAL A 87 69.680 0.845 -4.942 1.00 0.00 H new ATOM 0 HG23 VAL A 87 68.282 1.413 -5.885 1.00 0.00 H new ATOM 1395 N ILE A 88 69.607 -3.438 -7.095 1.00 0.00 N ATOM 1396 CA ILE A 88 69.430 -4.867 -7.369 1.00 0.00 C ATOM 1397 C ILE A 88 69.656 -5.734 -6.130 1.00 0.00 C ATOM 1398 O ILE A 88 70.379 -5.356 -5.208 1.00 0.00 O ATOM 1399 CB ILE A 88 70.370 -5.364 -8.494 1.00 0.00 C ATOM 1400 CG1 ILE A 88 71.446 -4.317 -8.818 1.00 0.00 C ATOM 1401 CG2 ILE A 88 69.566 -5.713 -9.739 1.00 0.00 C ATOM 1402 CD1 ILE A 88 72.476 -4.784 -9.829 1.00 0.00 C ATOM 0 H ILE A 88 70.581 -3.138 -7.048 1.00 0.00 H new ATOM 0 HA ILE A 88 68.393 -4.970 -7.689 1.00 0.00 H new ATOM 0 HB ILE A 88 70.876 -6.264 -8.143 1.00 0.00 H new ATOM 0 HG12 ILE A 88 70.961 -3.418 -9.198 1.00 0.00 H new ATOM 0 HG13 ILE A 88 71.957 -4.039 -7.896 1.00 0.00 H new ATOM 0 HG21 ILE A 88 70.240 -6.061 -10.522 1.00 0.00 H new ATOM 0 HG22 ILE A 88 68.850 -6.499 -9.501 1.00 0.00 H new ATOM 0 HG23 ILE A 88 69.032 -4.829 -10.087 1.00 0.00 H new ATOM 0 HD11 ILE A 88 73.201 -3.989 -10.004 1.00 0.00 H new ATOM 0 HD12 ILE A 88 72.990 -5.665 -9.444 1.00 0.00 H new ATOM 0 HD13 ILE A 88 71.979 -5.034 -10.766 1.00 0.00 H new ATOM 1414 N GLU A 89 69.016 -6.900 -6.119 1.00 0.00 N ATOM 1415 CA GLU A 89 69.149 -7.844 -5.009 1.00 0.00 C ATOM 1416 C GLU A 89 69.790 -9.147 -5.491 1.00 0.00 C ATOM 1417 O GLU A 89 69.442 -9.666 -6.552 1.00 0.00 O ATOM 1418 CB GLU A 89 67.781 -8.128 -4.370 1.00 0.00 C ATOM 1419 CG GLU A 89 67.872 -8.726 -2.974 1.00 0.00 C ATOM 1420 CD GLU A 89 66.655 -8.411 -2.121 1.00 0.00 C ATOM 1421 OE1 GLU A 89 66.487 -7.233 -1.738 1.00 0.00 O ATOM 1422 OE2 GLU A 89 65.871 -9.343 -1.838 1.00 0.00 O ATOM 0 H GLU A 89 68.399 -7.216 -6.867 1.00 0.00 H new ATOM 0 HA GLU A 89 69.794 -7.395 -4.254 1.00 0.00 H new ATOM 0 HB2 GLU A 89 67.212 -7.199 -4.322 1.00 0.00 H new ATOM 0 HB3 GLU A 89 67.224 -8.810 -5.012 1.00 0.00 H new ATOM 0 HG2 GLU A 89 67.985 -9.807 -3.053 1.00 0.00 H new ATOM 0 HG3 GLU A 89 68.766 -8.347 -2.478 1.00 0.00 H new ATOM 1429 N VAL A 90 70.740 -9.664 -4.716 1.00 0.00 N ATOM 1430 CA VAL A 90 71.428 -10.904 -5.078 1.00 0.00 C ATOM 1431 C VAL A 90 71.077 -12.045 -4.122 1.00 0.00 C ATOM 1432 O VAL A 90 71.052 -11.866 -2.905 1.00 0.00 O ATOM 1433 CB VAL A 90 72.962 -10.721 -5.094 1.00 0.00 C ATOM 1434 CG1 VAL A 90 73.634 -11.854 -5.857 1.00 0.00 C ATOM 1435 CG2 VAL A 90 73.345 -9.378 -5.696 1.00 0.00 C ATOM 0 H VAL A 90 71.051 -9.248 -3.838 1.00 0.00 H new ATOM 0 HA VAL A 90 71.087 -11.160 -6.081 1.00 0.00 H new ATOM 0 HB VAL A 90 73.311 -10.745 -4.062 1.00 0.00 H new ATOM 0 HG11 VAL A 90 74.714 -11.704 -5.855 1.00 0.00 H new ATOM 0 HG12 VAL A 90 73.399 -12.805 -5.378 1.00 0.00 H new ATOM 0 HG13 VAL A 90 73.271 -11.866 -6.885 1.00 0.00 H new ATOM 0 HG21 VAL A 90 74.430 -9.275 -5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 90 72.976 -9.320 -6.720 1.00 0.00 H new ATOM 0 HG23 VAL A 90 72.904 -8.575 -5.105 1.00 0.00 H new ATOM 1445 N TYR A 91 70.806 -13.217 -4.687 1.00 0.00 N ATOM 1446 CA TYR A 91 70.472 -14.399 -3.888 1.00 0.00 C ATOM 1447 C TYR A 91 71.455 -15.532 -4.178 1.00 0.00 C ATOM 1448 O TYR A 91 72.083 -15.566 -5.238 1.00 0.00 O ATOM 1449 CB TYR A 91 69.036 -14.870 -4.164 1.00 0.00 C ATOM 1450 CG TYR A 91 67.979 -14.060 -3.446 1.00 0.00 C ATOM 1451 CD1 TYR A 91 66.871 -13.577 -4.129 1.00 0.00 C ATOM 1452 CD2 TYR A 91 68.086 -13.783 -2.089 1.00 0.00 C ATOM 1453 CE1 TYR A 91 65.899 -12.836 -3.479 1.00 0.00 C ATOM 1454 CE2 TYR A 91 67.120 -13.044 -1.433 1.00 0.00 C ATOM 1455 CZ TYR A 91 66.029 -12.574 -2.132 1.00 0.00 C ATOM 1456 OH TYR A 91 65.066 -11.837 -1.483 1.00 0.00 O ATOM 0 H TYR A 91 70.810 -13.377 -5.694 1.00 0.00 H new ATOM 0 HA TYR A 91 70.545 -14.121 -2.836 1.00 0.00 H new ATOM 0 HB2 TYR A 91 68.849 -14.825 -5.237 1.00 0.00 H new ATOM 0 HB3 TYR A 91 68.943 -15.915 -3.868 1.00 0.00 H new ATOM 0 HD1 TYR A 91 66.766 -13.783 -5.184 1.00 0.00 H new ATOM 0 HD2 TYR A 91 68.938 -14.151 -1.537 1.00 0.00 H new ATOM 0 HE1 TYR A 91 65.044 -12.465 -4.024 1.00 0.00 H new ATOM 0 HE2 TYR A 91 67.219 -12.836 -0.378 1.00 0.00 H new ATOM 0 HH TYR A 91 65.364 -10.907 -1.405 1.00 0.00 H new ATOM 1466 N GLN A 92 71.588 -16.460 -3.239 1.00 0.00 N ATOM 1467 CA GLN A 92 72.503 -17.586 -3.408 1.00 0.00 C ATOM 1468 C GLN A 92 71.771 -18.841 -3.887 1.00 0.00 C ATOM 1469 O GLN A 92 70.704 -19.187 -3.380 1.00 0.00 O ATOM 1470 CB GLN A 92 73.254 -17.874 -2.101 1.00 0.00 C ATOM 1471 CG GLN A 92 72.356 -17.980 -0.876 1.00 0.00 C ATOM 1472 CD GLN A 92 73.112 -18.405 0.368 1.00 0.00 C ATOM 1473 OE1 GLN A 92 74.131 -19.092 0.291 1.00 0.00 O ATOM 1474 NE2 GLN A 92 72.621 -18.001 1.527 1.00 0.00 N ATOM 0 H GLN A 92 71.078 -16.457 -2.356 1.00 0.00 H new ATOM 0 HA GLN A 92 73.225 -17.308 -4.176 1.00 0.00 H new ATOM 0 HB2 GLN A 92 73.810 -18.805 -2.212 1.00 0.00 H new ATOM 0 HB3 GLN A 92 73.986 -17.084 -1.934 1.00 0.00 H new ATOM 0 HG2 GLN A 92 71.879 -17.016 -0.695 1.00 0.00 H new ATOM 0 HG3 GLN A 92 71.560 -18.697 -1.075 1.00 0.00 H new ATOM 0 HE21 GLN A 92 71.774 -17.433 1.552 1.00 0.00 H new ATOM 0 HE22 GLN A 92 73.089 -18.258 2.396 1.00 0.00 H new ATOM 1483 N GLU A 93 72.358 -19.517 -4.868 1.00 0.00 N ATOM 1484 CA GLU A 93 71.777 -20.737 -5.423 1.00 0.00 C ATOM 1485 C GLU A 93 72.718 -21.924 -5.209 1.00 0.00 C ATOM 1486 O GLU A 93 73.078 -22.631 -6.150 1.00 0.00 O ATOM 1487 CB GLU A 93 71.486 -20.557 -6.915 1.00 0.00 C ATOM 1488 CG GLU A 93 70.048 -20.877 -7.297 1.00 0.00 C ATOM 1489 CD GLU A 93 69.839 -20.942 -8.798 1.00 0.00 C ATOM 1490 OE1 GLU A 93 70.373 -20.067 -9.513 1.00 0.00 O ATOM 1491 OE2 GLU A 93 69.142 -21.868 -9.261 1.00 0.00 O ATOM 0 H GLU A 93 73.240 -19.240 -5.298 1.00 0.00 H new ATOM 0 HA GLU A 93 70.840 -20.938 -4.905 1.00 0.00 H new ATOM 0 HB2 GLU A 93 71.708 -19.528 -7.199 1.00 0.00 H new ATOM 0 HB3 GLU A 93 72.157 -21.198 -7.488 1.00 0.00 H new ATOM 0 HG2 GLU A 93 69.763 -21.831 -6.853 1.00 0.00 H new ATOM 0 HG3 GLU A 93 69.388 -20.119 -6.875 1.00 0.00 H new