USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 565 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -178:sc= 1.31 (180deg=1.26) USER MOD Single : A 18 LYS NZ :NH3+ 163:sc= -0.0236 (180deg=-0.235) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 37:sc= 0.19 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HE2:sc= -0.176 K(o=-0.18,f=-3.5!) USER MOD Single : A 32 LYS NZ :NH3+ 123:sc= 1.27 (180deg=0.639) USER MOD Single : A 38 LYS NZ :NH3+ -172:sc=-0.00392 (180deg=-0.064) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.674 K(o=-0.67,f=-2.6!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 165:sc= -0.0755 (180deg=-0.338) USER MOD Single : A 48 GLN : amide:sc= 0.147 X(o=0.15,f=0) USER MOD Single : A 51 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.21) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 179:sc= 0.872 (180deg=0.834) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0844 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N GLU A 14 -13.540 -4.698 -11.201 1.00 0.00 N ATOM 245 CA GLU A 14 -13.650 -5.913 -10.436 1.00 0.00 C ATOM 246 C GLU A 14 -13.513 -5.646 -8.952 1.00 0.00 C ATOM 247 O GLU A 14 -14.308 -6.135 -8.154 1.00 0.00 O ATOM 248 CB GLU A 14 -12.611 -6.931 -10.901 1.00 0.00 C ATOM 249 CG GLU A 14 -12.731 -7.330 -12.366 1.00 0.00 C ATOM 250 CD GLU A 14 -14.010 -8.072 -12.670 1.00 0.00 C ATOM 251 OE1 GLU A 14 -14.053 -9.311 -12.480 1.00 0.00 O ATOM 252 OE2 GLU A 14 -14.998 -7.448 -13.097 1.00 0.00 O ATOM 0 HA GLU A 14 -14.644 -6.328 -10.605 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.616 -6.520 -10.729 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.697 -7.826 -10.285 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.680 -6.435 -12.986 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.881 -7.955 -12.638 1.00 0.00 H new ATOM 259 N ILE A 15 -12.554 -4.823 -8.589 1.00 0.00 N ATOM 260 CA ILE A 15 -12.250 -4.574 -7.182 1.00 0.00 C ATOM 261 C ILE A 15 -13.400 -3.879 -6.458 1.00 0.00 C ATOM 262 O ILE A 15 -13.594 -4.061 -5.254 1.00 0.00 O ATOM 263 CB ILE A 15 -10.910 -3.795 -7.009 1.00 0.00 C ATOM 264 CG1 ILE A 15 -10.988 -2.353 -7.542 1.00 0.00 C ATOM 265 CG2 ILE A 15 -9.783 -4.550 -7.700 1.00 0.00 C ATOM 266 CD1 ILE A 15 -11.431 -1.312 -6.527 1.00 0.00 C ATOM 0 H ILE A 15 -11.965 -4.310 -9.245 1.00 0.00 H new ATOM 0 HA ILE A 15 -12.123 -5.549 -6.712 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.711 -3.726 -5.940 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -10.007 -2.070 -7.924 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -11.678 -2.331 -8.386 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.849 -4.002 -7.577 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.684 -5.541 -7.257 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.008 -4.648 -8.762 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.454 -0.330 -6.999 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.427 -1.562 -6.161 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.730 -1.297 -5.692 1.00 0.00 H new ATOM 278 N LYS A 16 -14.205 -3.144 -7.205 1.00 0.00 N ATOM 279 CA LYS A 16 -15.315 -2.411 -6.623 1.00 0.00 C ATOM 280 C LYS A 16 -16.457 -3.336 -6.266 1.00 0.00 C ATOM 281 O LYS A 16 -17.312 -3.001 -5.451 1.00 0.00 O ATOM 282 CB LYS A 16 -15.764 -1.268 -7.530 1.00 0.00 C ATOM 283 CG LYS A 16 -14.804 -0.098 -7.545 1.00 0.00 C ATOM 284 CD LYS A 16 -15.267 1.006 -8.482 1.00 0.00 C ATOM 285 CE LYS A 16 -14.231 2.111 -8.550 1.00 0.00 C ATOM 286 NZ LYS A 16 -14.600 3.197 -9.485 1.00 0.00 N ATOM 0 H LYS A 16 -14.111 -3.039 -8.215 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.966 -1.961 -5.694 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.881 -1.645 -8.546 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -16.744 -0.920 -7.204 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -14.703 0.301 -6.536 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -13.816 -0.443 -7.851 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -15.439 0.598 -9.478 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -16.218 1.411 -8.135 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -14.090 2.530 -7.554 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.275 1.686 -8.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.854 3.921 -9.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.708 2.808 -10.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -15.498 3.626 -9.182 1.00 0.00 H new ATOM 300 N LYS A 17 -16.442 -4.503 -6.853 1.00 0.00 N ATOM 301 CA LYS A 17 -17.421 -5.531 -6.571 1.00 0.00 C ATOM 302 C LYS A 17 -16.841 -6.498 -5.550 1.00 0.00 C ATOM 303 O LYS A 17 -17.508 -6.900 -4.595 1.00 0.00 O ATOM 304 CB LYS A 17 -17.757 -6.289 -7.856 1.00 0.00 C ATOM 305 CG LYS A 17 -18.366 -5.424 -8.948 1.00 0.00 C ATOM 306 CD LYS A 17 -18.583 -6.205 -10.237 1.00 0.00 C ATOM 307 CE LYS A 17 -17.267 -6.642 -10.850 1.00 0.00 C ATOM 308 NZ LYS A 17 -17.448 -7.340 -12.133 1.00 0.00 N ATOM 0 H LYS A 17 -15.746 -4.774 -7.547 1.00 0.00 H new ATOM 0 HA LYS A 17 -18.329 -5.075 -6.177 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -16.848 -6.752 -8.240 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -18.450 -7.096 -7.618 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -19.318 -5.021 -8.603 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -17.713 -4.574 -9.144 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -19.199 -7.081 -10.034 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -19.131 -5.588 -10.950 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -16.632 -5.769 -11.001 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -16.745 -7.298 -10.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -16.523 -7.648 -12.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -18.059 -8.170 -11.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -17.891 -6.696 -12.819 1.00 0.00 H new ATOM 322 N LYS A 18 -15.570 -6.806 -5.746 1.00 0.00 N ATOM 323 CA LYS A 18 -14.844 -7.775 -4.958 1.00 0.00 C ATOM 324 C LYS A 18 -14.636 -7.294 -3.524 1.00 0.00 C ATOM 325 O LYS A 18 -14.882 -8.036 -2.570 1.00 0.00 O ATOM 326 CB LYS A 18 -13.486 -8.044 -5.625 1.00 0.00 C ATOM 327 CG LYS A 18 -12.722 -9.223 -5.059 1.00 0.00 C ATOM 328 CD LYS A 18 -11.377 -9.386 -5.745 1.00 0.00 C ATOM 329 CE LYS A 18 -10.721 -10.697 -5.359 1.00 0.00 C ATOM 330 NZ LYS A 18 -11.432 -11.855 -5.947 1.00 0.00 N ATOM 0 H LYS A 18 -15.004 -6.375 -6.477 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.430 -8.693 -4.912 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.647 -8.211 -6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.868 -7.151 -5.532 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.573 -9.083 -3.988 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.309 -10.133 -5.182 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.510 -9.347 -6.826 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.724 -8.556 -5.474 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.684 -10.698 -5.693 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.706 -10.791 -4.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.817 -12.693 -5.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.300 -12.040 -5.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.678 -11.646 -6.936 1.00 0.00 H new ATOM 344 N PHE A 19 -14.205 -6.057 -3.372 1.00 0.00 N ATOM 345 CA PHE A 19 -13.918 -5.526 -2.054 1.00 0.00 C ATOM 346 C PHE A 19 -14.971 -4.520 -1.651 1.00 0.00 C ATOM 347 O PHE A 19 -14.943 -4.000 -0.531 1.00 0.00 O ATOM 348 CB PHE A 19 -12.543 -4.858 -2.050 1.00 0.00 C ATOM 349 CG PHE A 19 -11.450 -5.752 -2.544 1.00 0.00 C ATOM 350 CD1 PHE A 19 -11.040 -6.830 -1.795 1.00 0.00 C ATOM 351 CD2 PHE A 19 -10.851 -5.529 -3.771 1.00 0.00 C ATOM 352 CE1 PHE A 19 -10.053 -7.665 -2.245 1.00 0.00 C ATOM 353 CE2 PHE A 19 -9.860 -6.366 -4.230 1.00 0.00 C ATOM 354 CZ PHE A 19 -9.461 -7.439 -3.463 1.00 0.00 C ATOM 0 H PHE A 19 -14.047 -5.404 -4.140 1.00 0.00 H new ATOM 0 HA PHE A 19 -13.923 -6.349 -1.339 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.580 -3.963 -2.671 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -12.307 -4.533 -1.037 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -11.503 -7.021 -0.838 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.164 -4.690 -4.374 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.739 -8.503 -1.641 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.396 -6.183 -5.188 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.685 -8.100 -3.819 1.00 0.00 H new ATOM 364 N LYS A 20 -15.906 -4.261 -2.576 1.00 0.00 N ATOM 365 CA LYS A 20 -16.952 -3.258 -2.386 1.00 0.00 C ATOM 366 C LYS A 20 -16.337 -1.903 -2.092 1.00 0.00 C ATOM 367 O LYS A 20 -16.387 -1.400 -0.973 1.00 0.00 O ATOM 368 CB LYS A 20 -17.964 -3.681 -1.312 1.00 0.00 C ATOM 369 CG LYS A 20 -18.861 -4.837 -1.725 1.00 0.00 C ATOM 370 CD LYS A 20 -19.782 -4.409 -2.848 1.00 0.00 C ATOM 371 CE LYS A 20 -20.678 -5.535 -3.318 1.00 0.00 C ATOM 372 NZ LYS A 20 -21.630 -5.053 -4.338 1.00 0.00 N ATOM 0 H LYS A 20 -15.955 -4.742 -3.474 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.515 -3.175 -3.316 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.423 -3.960 -0.408 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -18.588 -2.824 -1.058 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.252 -5.682 -2.046 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -19.449 -5.174 -0.871 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -20.397 -3.574 -2.512 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -19.186 -4.048 -3.686 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -20.071 -6.341 -3.731 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -21.224 -5.950 -2.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -22.235 -5.840 -4.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -22.222 -4.300 -3.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -21.105 -4.679 -5.154 1.00 0.00 H new ATOM 386 N LEU A 21 -15.721 -1.340 -3.099 1.00 0.00 N ATOM 387 CA LEU A 21 -14.960 -0.113 -2.940 1.00 0.00 C ATOM 388 C LEU A 21 -15.580 1.005 -3.762 1.00 0.00 C ATOM 389 O LEU A 21 -14.939 2.012 -4.033 1.00 0.00 O ATOM 390 CB LEU A 21 -13.526 -0.345 -3.396 1.00 0.00 C ATOM 391 CG LEU A 21 -12.476 0.403 -2.596 1.00 0.00 C ATOM 392 CD1 LEU A 21 -12.431 -0.153 -1.187 1.00 0.00 C ATOM 393 CD2 LEU A 21 -11.120 0.306 -3.258 1.00 0.00 C ATOM 0 H LEU A 21 -15.728 -1.711 -4.049 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.971 0.176 -1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.311 -1.412 -3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.441 -0.054 -4.443 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.744 1.459 -2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.678 0.382 -0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.406 -0.029 -0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.177 -1.212 -1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.386 0.851 -2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.824 -0.741 -3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.171 0.738 -4.257 1.00 0.00 H new ATOM 405 N THR A 22 -16.816 0.797 -4.160 1.00 0.00 N ATOM 406 CA THR A 22 -17.559 1.717 -5.005 1.00 0.00 C ATOM 407 C THR A 22 -17.556 3.164 -4.462 1.00 0.00 C ATOM 408 O THR A 22 -18.033 3.418 -3.351 1.00 0.00 O ATOM 409 CB THR A 22 -19.011 1.219 -5.137 1.00 0.00 C ATOM 410 OG1 THR A 22 -19.551 0.946 -3.817 1.00 0.00 O ATOM 411 CG2 THR A 22 -19.070 -0.047 -5.973 1.00 0.00 C ATOM 0 H THR A 22 -17.348 -0.034 -3.901 1.00 0.00 H new ATOM 0 HA THR A 22 -17.066 1.740 -5.977 1.00 0.00 H new ATOM 0 HB THR A 22 -19.600 1.993 -5.629 1.00 0.00 H new ATOM 0 HG1 THR A 22 -19.217 1.614 -3.182 1.00 0.00 H new ATOM 0 HG21 THR A 22 -20.104 -0.382 -6.054 1.00 0.00 H new ATOM 0 HG22 THR A 22 -18.675 0.156 -6.969 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.473 -0.825 -5.498 1.00 0.00 H new ATOM 419 N GLY A 23 -16.996 4.079 -5.221 1.00 0.00 N ATOM 420 CA GLY A 23 -16.991 5.468 -4.834 1.00 0.00 C ATOM 421 C GLY A 23 -15.588 6.040 -4.735 1.00 0.00 C ATOM 422 O GLY A 23 -14.608 5.335 -5.019 1.00 0.00 O ATOM 0 H GLY A 23 -16.538 3.884 -6.111 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -17.565 6.046 -5.559 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.492 5.575 -3.872 1.00 0.00 H new ATOM 426 N PRO A 24 -15.462 7.329 -4.396 1.00 0.00 N ATOM 427 CA PRO A 24 -14.172 7.983 -4.189 1.00 0.00 C ATOM 428 C PRO A 24 -13.572 7.568 -2.850 1.00 0.00 C ATOM 429 O PRO A 24 -14.187 7.757 -1.792 1.00 0.00 O ATOM 430 CB PRO A 24 -14.520 9.486 -4.180 1.00 0.00 C ATOM 431 CG PRO A 24 -15.943 9.564 -4.613 1.00 0.00 C ATOM 432 CD PRO A 24 -16.563 8.269 -4.201 1.00 0.00 C ATOM 0 HA PRO A 24 -13.438 7.722 -4.951 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.387 9.914 -3.186 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.872 10.044 -4.856 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.449 10.407 -4.143 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -16.017 9.708 -5.691 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -16.902 8.290 -3.165 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -17.428 8.017 -4.815 1.00 0.00 H new ATOM 440 N ILE A 25 -12.398 7.003 -2.892 1.00 0.00 N ATOM 441 CA ILE A 25 -11.752 6.493 -1.698 1.00 0.00 C ATOM 442 C ILE A 25 -10.398 7.173 -1.442 1.00 0.00 C ATOM 443 O ILE A 25 -9.843 7.807 -2.347 1.00 0.00 O ATOM 444 CB ILE A 25 -11.649 4.926 -1.720 1.00 0.00 C ATOM 445 CG1 ILE A 25 -11.106 4.364 -3.061 1.00 0.00 C ATOM 446 CG2 ILE A 25 -12.989 4.285 -1.391 1.00 0.00 C ATOM 447 CD1 ILE A 25 -9.645 4.629 -3.330 1.00 0.00 C ATOM 0 H ILE A 25 -11.857 6.879 -3.748 1.00 0.00 H new ATOM 0 HA ILE A 25 -12.386 6.750 -0.850 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.924 4.665 -0.949 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.271 3.287 -3.077 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.691 4.789 -3.877 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.889 3.200 -1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -13.309 4.599 -0.397 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -13.731 4.596 -2.126 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.367 4.195 -4.291 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.468 5.704 -3.353 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.042 4.179 -2.541 1.00 0.00 H new ATOM 459 N GLN A 26 -9.873 7.052 -0.230 1.00 0.00 N ATOM 460 CA GLN A 26 -8.622 7.719 0.145 1.00 0.00 C ATOM 461 C GLN A 26 -7.639 6.749 0.690 1.00 0.00 C ATOM 462 O GLN A 26 -7.991 5.698 1.220 1.00 0.00 O ATOM 463 CB GLN A 26 -8.865 8.823 1.175 1.00 0.00 C ATOM 464 CG GLN A 26 -9.908 9.840 0.777 1.00 0.00 C ATOM 465 CD GLN A 26 -10.018 10.961 1.774 1.00 0.00 C ATOM 466 OE1 GLN A 26 -9.355 11.987 1.642 1.00 0.00 O ATOM 467 NE2 GLN A 26 -10.811 10.775 2.789 1.00 0.00 N ATOM 0 H GLN A 26 -10.292 6.497 0.516 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.217 8.166 -0.763 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.166 8.363 2.116 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.924 9.341 1.361 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.659 10.250 -0.202 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.875 9.347 0.679 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.347 9.910 2.866 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.897 11.494 3.507 1.00 0.00 H new ATOM 476 N VAL A 27 -6.413 7.123 0.575 1.00 0.00 N ATOM 477 CA VAL A 27 -5.323 6.336 1.005 1.00 0.00 C ATOM 478 C VAL A 27 -5.014 6.698 2.453 1.00 0.00 C ATOM 479 O VAL A 27 -4.510 7.797 2.738 1.00 0.00 O ATOM 480 CB VAL A 27 -4.105 6.611 0.119 1.00 0.00 C ATOM 481 CG1 VAL A 27 -2.968 5.770 0.551 1.00 0.00 C ATOM 482 CG2 VAL A 27 -4.428 6.354 -1.347 1.00 0.00 C ATOM 0 H VAL A 27 -6.138 8.015 0.165 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.569 5.277 0.933 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.832 7.661 0.224 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.105 5.971 -0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.718 6.000 1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.242 4.718 0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.546 6.557 -1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.727 5.314 -1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.242 7.007 -1.660 1.00 0.00 H new ATOM 492 N ILE A 28 -5.336 5.801 3.355 1.00 0.00 N ATOM 493 CA ILE A 28 -5.211 6.072 4.787 1.00 0.00 C ATOM 494 C ILE A 28 -3.753 5.972 5.279 1.00 0.00 C ATOM 495 O ILE A 28 -3.322 6.747 6.133 1.00 0.00 O ATOM 496 CB ILE A 28 -6.138 5.148 5.624 1.00 0.00 C ATOM 497 CG1 ILE A 28 -7.593 5.299 5.144 1.00 0.00 C ATOM 498 CG2 ILE A 28 -6.031 5.486 7.113 1.00 0.00 C ATOM 499 CD1 ILE A 28 -8.599 4.457 5.908 1.00 0.00 C ATOM 0 H ILE A 28 -5.689 4.870 3.132 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.532 7.103 4.935 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.823 4.114 5.486 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.881 6.347 5.223 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -7.643 5.033 4.088 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.687 4.829 7.683 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.002 5.348 7.444 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.328 6.523 7.273 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.597 4.626 5.503 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.341 3.403 5.809 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -8.583 4.737 6.961 1.00 0.00 H new ATOM 511 N HIS A 29 -3.005 5.031 4.751 1.00 0.00 N ATOM 512 CA HIS A 29 -1.597 4.846 5.129 1.00 0.00 C ATOM 513 C HIS A 29 -0.827 4.281 3.995 1.00 0.00 C ATOM 514 O HIS A 29 -1.401 3.807 3.008 1.00 0.00 O ATOM 515 CB HIS A 29 -1.402 3.904 6.343 1.00 0.00 C ATOM 516 CG HIS A 29 -1.666 4.481 7.676 1.00 0.00 C ATOM 517 ND1 HIS A 29 -0.803 5.339 8.319 1.00 0.00 N ATOM 518 CD2 HIS A 29 -2.701 4.298 8.503 1.00 0.00 C ATOM 519 CE1 HIS A 29 -1.312 5.666 9.487 1.00 0.00 C ATOM 520 NE2 HIS A 29 -2.461 5.048 9.618 1.00 0.00 N ATOM 0 H HIS A 29 -3.340 4.369 4.051 1.00 0.00 H new ATOM 0 HA HIS A 29 -1.238 5.838 5.403 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -2.052 3.039 6.211 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.376 3.537 6.328 1.00 0.00 H new ATOM 0 HD1 HIS A 29 0.089 5.669 7.949 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.564 3.674 8.323 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.862 6.328 10.212 1.00 0.00 H new ATOM 529 N LEU A 30 0.454 4.297 4.142 1.00 0.00 N ATOM 530 CA LEU A 30 1.316 3.709 3.192 1.00 0.00 C ATOM 531 C LEU A 30 1.768 2.392 3.723 1.00 0.00 C ATOM 532 O LEU A 30 2.300 2.305 4.830 1.00 0.00 O ATOM 533 CB LEU A 30 2.506 4.619 2.846 1.00 0.00 C ATOM 534 CG LEU A 30 2.202 5.824 1.937 1.00 0.00 C ATOM 535 CD1 LEU A 30 1.564 5.357 0.670 1.00 0.00 C ATOM 536 CD2 LEU A 30 1.326 6.868 2.615 1.00 0.00 C ATOM 0 H LEU A 30 0.931 4.725 4.936 1.00 0.00 H new ATOM 0 HA LEU A 30 0.774 3.564 2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.933 4.992 3.777 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.272 4.012 2.364 1.00 0.00 H new ATOM 0 HG LEU A 30 3.153 6.308 1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.352 6.215 0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.240 4.677 0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.634 4.838 0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.145 7.694 1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.375 6.417 2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.830 7.242 3.506 1.00 0.00 H new ATOM 548 N ALA A 31 1.456 1.372 3.000 1.00 0.00 N ATOM 549 CA ALA A 31 1.831 0.052 3.365 1.00 0.00 C ATOM 550 C ALA A 31 2.997 -0.398 2.501 1.00 0.00 C ATOM 551 O ALA A 31 3.325 0.219 1.494 1.00 0.00 O ATOM 552 CB ALA A 31 0.644 -0.870 3.189 1.00 0.00 C ATOM 0 H ALA A 31 0.928 1.433 2.130 1.00 0.00 H new ATOM 0 HA ALA A 31 2.143 0.025 4.409 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.927 -1.885 3.468 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.175 -0.534 3.825 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.324 -0.856 2.147 1.00 0.00 H new ATOM 558 N LYS A 32 3.640 -1.410 2.905 1.00 0.00 N ATOM 559 CA LYS A 32 4.683 -1.976 2.182 1.00 0.00 C ATOM 560 C LYS A 32 4.724 -3.399 2.554 1.00 0.00 C ATOM 561 O LYS A 32 4.970 -3.736 3.715 1.00 0.00 O ATOM 562 CB LYS A 32 6.044 -1.225 2.305 1.00 0.00 C ATOM 563 CG LYS A 32 6.745 -1.196 3.657 1.00 0.00 C ATOM 564 CD LYS A 32 7.935 -0.245 3.569 1.00 0.00 C ATOM 565 CE LYS A 32 8.857 -0.302 4.779 1.00 0.00 C ATOM 566 NZ LYS A 32 9.580 -1.586 4.864 1.00 0.00 N ATOM 0 H LYS A 32 3.443 -1.885 3.786 1.00 0.00 H new ATOM 0 HA LYS A 32 4.495 -1.878 1.113 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.732 -1.669 1.586 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.881 -0.193 1.995 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.055 -0.867 4.434 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.080 -2.196 3.931 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.511 -0.480 2.674 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.566 0.774 3.452 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.576 0.516 4.726 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.273 -0.154 5.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.604 -1.407 4.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.303 -2.083 5.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.343 -2.173 4.039 1.00 0.00 H new ATOM 580 N ALA A 33 4.305 -4.196 1.649 1.00 0.00 N ATOM 581 CA ALA A 33 4.312 -5.625 1.810 1.00 0.00 C ATOM 582 C ALA A 33 5.759 -6.027 2.019 1.00 0.00 C ATOM 583 O ALA A 33 6.604 -5.616 1.255 1.00 0.00 O ATOM 584 CB ALA A 33 3.663 -6.259 0.588 1.00 0.00 C ATOM 0 H ALA A 33 3.937 -3.883 0.751 1.00 0.00 H new ATOM 0 HA ALA A 33 3.735 -5.969 2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.662 -7.343 0.698 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.637 -5.903 0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.224 -5.985 -0.305 1.00 0.00 H new ATOM 590 N CYS A 34 6.046 -6.745 3.083 1.00 0.00 N ATOM 591 CA CYS A 34 7.443 -6.922 3.493 1.00 0.00 C ATOM 592 C CYS A 34 8.025 -8.243 3.154 1.00 0.00 C ATOM 593 O CYS A 34 9.250 -8.448 3.239 1.00 0.00 O ATOM 594 CB CYS A 34 7.554 -6.781 5.019 1.00 0.00 C ATOM 595 SG CYS A 34 6.814 -8.146 6.120 1.00 0.00 S ATOM 0 H CYS A 34 5.357 -7.210 3.675 1.00 0.00 H new ATOM 0 HA CYS A 34 7.993 -6.157 2.946 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.612 -6.694 5.267 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.083 -5.839 5.299 1.00 0.00 H new ATOM 600 N CYS A 35 7.211 -9.125 2.758 1.00 0.00 N ATOM 601 CA CYS A 35 7.571 -10.479 2.880 1.00 0.00 C ATOM 602 C CYS A 35 6.784 -11.360 1.941 1.00 0.00 C ATOM 603 O CYS A 35 5.911 -10.875 1.215 1.00 0.00 O ATOM 604 CB CYS A 35 7.265 -10.774 4.356 1.00 0.00 C ATOM 605 SG CYS A 35 5.902 -9.665 5.007 1.00 0.00 S ATOM 0 H CYS A 35 6.295 -8.944 2.348 1.00 0.00 H new ATOM 0 HA CYS A 35 8.609 -10.678 2.612 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.971 -11.818 4.467 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.167 -10.632 4.951 1.00 0.00 H new ATOM 610 N ASP A 36 7.131 -12.639 1.916 1.00 0.00 N ATOM 611 CA ASP A 36 6.398 -13.615 1.136 1.00 0.00 C ATOM 612 C ASP A 36 5.085 -13.855 1.818 1.00 0.00 C ATOM 613 O ASP A 36 5.029 -14.455 2.896 1.00 0.00 O ATOM 614 CB ASP A 36 7.158 -14.935 1.028 1.00 0.00 C ATOM 615 CG ASP A 36 6.441 -15.942 0.147 1.00 0.00 C ATOM 616 OD1 ASP A 36 5.545 -16.665 0.632 1.00 0.00 O ATOM 617 OD2 ASP A 36 6.770 -16.039 -1.052 1.00 0.00 O ATOM 0 H ASP A 36 7.922 -13.023 2.433 1.00 0.00 H new ATOM 0 HA ASP A 36 6.258 -13.231 0.126 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.153 -14.747 0.625 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.292 -15.357 2.024 1.00 0.00 H new ATOM 622 N VAL A 37 4.061 -13.366 1.231 1.00 0.00 N ATOM 623 CA VAL A 37 2.749 -13.421 1.799 1.00 0.00 C ATOM 624 C VAL A 37 1.923 -14.473 1.123 1.00 0.00 C ATOM 625 O VAL A 37 2.253 -14.903 0.005 1.00 0.00 O ATOM 626 CB VAL A 37 2.022 -12.072 1.710 1.00 0.00 C ATOM 627 CG1 VAL A 37 2.863 -10.968 2.319 1.00 0.00 C ATOM 628 CG2 VAL A 37 1.649 -11.750 0.281 1.00 0.00 C ATOM 0 H VAL A 37 4.100 -12.904 0.322 1.00 0.00 H new ATOM 0 HA VAL A 37 2.874 -13.671 2.852 1.00 0.00 H new ATOM 0 HB VAL A 37 1.098 -12.146 2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.329 -10.021 2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.057 -11.195 3.367 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.809 -10.894 1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.135 -10.789 0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.551 -11.701 -0.328 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.991 -12.527 -0.107 1.00 0.00 H new ATOM 638 N LYS A 38 0.918 -14.959 1.826 1.00 0.00 N ATOM 639 CA LYS A 38 -0.029 -15.888 1.247 1.00 0.00 C ATOM 640 C LYS A 38 -0.655 -15.244 0.057 1.00 0.00 C ATOM 641 O LYS A 38 -0.701 -15.844 -1.020 1.00 0.00 O ATOM 642 CB LYS A 38 -1.116 -16.264 2.238 1.00 0.00 C ATOM 643 CG LYS A 38 -0.595 -16.853 3.516 1.00 0.00 C ATOM 644 CD LYS A 38 0.178 -18.150 3.272 1.00 0.00 C ATOM 645 CE LYS A 38 -0.699 -19.233 2.639 1.00 0.00 C ATOM 646 NZ LYS A 38 -1.826 -19.636 3.516 1.00 0.00 N ATOM 0 H LYS A 38 0.737 -14.724 2.802 1.00 0.00 H new ATOM 0 HA LYS A 38 0.501 -16.798 0.967 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.704 -15.377 2.471 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.791 -16.979 1.768 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.055 -16.131 4.010 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.428 -17.048 4.192 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.029 -17.947 2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.579 -18.516 4.217 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.093 -18.868 1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.087 -20.107 2.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.308 -20.461 3.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.462 -19.882 4.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.500 -18.848 3.600 1.00 0.00 H new ATOM 660 N GLY A 39 -1.118 -14.000 0.257 1.00 0.00 N ATOM 661 CA GLY A 39 -1.671 -13.228 -0.826 1.00 0.00 C ATOM 662 C GLY A 39 -2.765 -13.949 -1.590 1.00 0.00 C ATOM 663 O GLY A 39 -2.743 -13.972 -2.830 1.00 0.00 O ATOM 0 H GLY A 39 -1.113 -13.524 1.159 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.071 -12.295 -0.429 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.871 -12.963 -1.517 1.00 0.00 H new ATOM 667 N GLY A 40 -3.644 -14.603 -0.855 1.00 0.00 N ATOM 668 CA GLY A 40 -4.704 -15.434 -1.423 1.00 0.00 C ATOM 669 C GLY A 40 -5.670 -14.715 -2.377 1.00 0.00 C ATOM 670 O GLY A 40 -5.471 -13.552 -2.742 1.00 0.00 O ATOM 0 H GLY A 40 -3.648 -14.576 0.165 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.243 -16.264 -1.958 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.282 -15.864 -0.605 1.00 0.00 H new ATOM 674 N LYS A 41 -6.734 -15.414 -2.730 1.00 0.00 N ATOM 675 CA LYS A 41 -7.727 -14.968 -3.713 1.00 0.00 C ATOM 676 C LYS A 41 -8.294 -13.564 -3.443 1.00 0.00 C ATOM 677 O LYS A 41 -8.489 -12.784 -4.379 1.00 0.00 O ATOM 678 CB LYS A 41 -8.856 -16.009 -3.842 1.00 0.00 C ATOM 679 CG LYS A 41 -9.612 -16.290 -2.548 1.00 0.00 C ATOM 680 CD LYS A 41 -10.621 -17.408 -2.721 1.00 0.00 C ATOM 681 CE LYS A 41 -11.364 -17.677 -1.423 1.00 0.00 C ATOM 682 NZ LYS A 41 -12.273 -18.835 -1.533 1.00 0.00 N ATOM 0 H LYS A 41 -6.944 -16.331 -2.336 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.198 -14.885 -4.663 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.566 -15.665 -4.594 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.431 -16.943 -4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.904 -16.557 -1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.124 -15.385 -2.221 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.332 -17.143 -3.503 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.112 -18.315 -3.047 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.644 -17.856 -0.624 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.937 -16.793 -1.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.759 -18.982 -0.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.977 -18.655 -2.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.725 -19.685 -1.774 1.00 0.00 H new ATOM 696 N ASN A 42 -8.530 -13.225 -2.193 1.00 0.00 N ATOM 697 CA ASN A 42 -9.076 -11.901 -1.882 1.00 0.00 C ATOM 698 C ASN A 42 -7.978 -10.966 -1.408 1.00 0.00 C ATOM 699 O ASN A 42 -8.212 -9.799 -1.135 1.00 0.00 O ATOM 700 CB ASN A 42 -10.223 -11.965 -0.844 1.00 0.00 C ATOM 701 CG ASN A 42 -9.778 -12.336 0.572 1.00 0.00 C ATOM 702 OD1 ASN A 42 -8.774 -13.011 0.772 1.00 0.00 O ATOM 703 ND2 ASN A 42 -10.543 -11.938 1.551 1.00 0.00 N ATOM 0 H ASN A 42 -8.361 -13.825 -1.386 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.501 -11.507 -2.805 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.722 -10.996 -0.812 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.961 -12.693 -1.182 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.312 -12.187 2.513 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.372 -11.377 1.355 1.00 0.00 H new ATOM 710 N GLU A 43 -6.779 -11.471 -1.352 1.00 0.00 N ATOM 711 CA GLU A 43 -5.670 -10.695 -0.889 1.00 0.00 C ATOM 712 C GLU A 43 -4.939 -10.082 -2.067 1.00 0.00 C ATOM 713 O GLU A 43 -5.187 -10.456 -3.226 1.00 0.00 O ATOM 714 CB GLU A 43 -4.735 -11.523 -0.015 1.00 0.00 C ATOM 715 CG GLU A 43 -5.404 -12.081 1.226 1.00 0.00 C ATOM 716 CD GLU A 43 -4.465 -12.859 2.101 1.00 0.00 C ATOM 717 OE1 GLU A 43 -4.205 -14.044 1.823 1.00 0.00 O ATOM 718 OE2 GLU A 43 -3.988 -12.320 3.127 1.00 0.00 O ATOM 0 H GLU A 43 -6.546 -12.426 -1.624 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.050 -9.887 -0.264 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.335 -12.348 -0.605 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.888 -10.905 0.285 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.831 -11.260 1.802 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.231 -12.725 0.927 1.00 0.00 H new ATOM 725 N LEU A 44 -4.071 -9.149 -1.790 1.00 0.00 N ATOM 726 CA LEU A 44 -3.374 -8.438 -2.832 1.00 0.00 C ATOM 727 C LEU A 44 -2.287 -9.268 -3.433 1.00 0.00 C ATOM 728 O LEU A 44 -1.544 -9.978 -2.739 1.00 0.00 O ATOM 729 CB LEU A 44 -2.759 -7.151 -2.306 1.00 0.00 C ATOM 730 CG LEU A 44 -3.004 -5.861 -3.107 1.00 0.00 C ATOM 731 CD1 LEU A 44 -2.444 -4.673 -2.363 1.00 0.00 C ATOM 732 CD2 LEU A 44 -2.391 -5.935 -4.489 1.00 0.00 C ATOM 0 H LEU A 44 -3.826 -8.859 -0.843 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.117 -8.206 -3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.129 -6.992 -1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.682 -7.300 -2.232 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.082 -5.745 -3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.623 -3.765 -2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.932 -4.589 -1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.372 -4.806 -2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.586 -5.005 -5.024 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.315 -6.085 -4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.831 -6.768 -5.038 1.00 0.00 H new ATOM 744 N SER A 45 -2.194 -9.159 -4.704 1.00 0.00 N ATOM 745 CA SER A 45 -1.150 -9.754 -5.455 1.00 0.00 C ATOM 746 C SER A 45 0.068 -8.822 -5.391 1.00 0.00 C ATOM 747 O SER A 45 0.318 -8.017 -6.299 1.00 0.00 O ATOM 748 CB SER A 45 -1.602 -9.963 -6.903 1.00 0.00 C ATOM 749 OG SER A 45 -2.847 -10.669 -6.949 1.00 0.00 O ATOM 0 H SER A 45 -2.862 -8.637 -5.271 1.00 0.00 H new ATOM 0 HA SER A 45 -0.889 -10.730 -5.045 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.707 -8.998 -7.399 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.842 -10.521 -7.449 1.00 0.00 H new ATOM 0 HG SER A 45 -3.120 -10.791 -7.882 1.00 0.00 H new ATOM 755 N PHE A 46 0.730 -8.848 -4.258 1.00 0.00 N ATOM 756 CA PHE A 46 1.904 -8.046 -4.044 1.00 0.00 C ATOM 757 C PHE A 46 3.058 -8.908 -3.623 1.00 0.00 C ATOM 758 O PHE A 46 2.912 -10.131 -3.493 1.00 0.00 O ATOM 759 CB PHE A 46 1.669 -6.884 -3.048 1.00 0.00 C ATOM 760 CG PHE A 46 1.094 -7.250 -1.691 1.00 0.00 C ATOM 761 CD1 PHE A 46 1.480 -8.382 -1.016 1.00 0.00 C ATOM 762 CD2 PHE A 46 0.177 -6.434 -1.097 1.00 0.00 C ATOM 763 CE1 PHE A 46 0.955 -8.682 0.211 1.00 0.00 C ATOM 764 CE2 PHE A 46 -0.352 -6.740 0.136 1.00 0.00 C ATOM 765 CZ PHE A 46 0.043 -7.874 0.784 1.00 0.00 C ATOM 0 H PHE A 46 0.467 -9.427 -3.461 1.00 0.00 H new ATOM 0 HA PHE A 46 2.149 -7.577 -4.997 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.620 -6.376 -2.888 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.999 -6.164 -3.518 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.208 -9.045 -1.460 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.139 -5.533 -1.602 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.275 -9.576 0.725 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.079 -6.083 0.590 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.373 -8.122 1.749 1.00 0.00 H new ATOM 775 N LYS A 47 4.175 -8.285 -3.380 1.00 0.00 N ATOM 776 CA LYS A 47 5.394 -8.963 -3.076 1.00 0.00 C ATOM 777 C LYS A 47 6.147 -8.219 -1.956 1.00 0.00 C ATOM 778 O LYS A 47 5.674 -7.225 -1.444 1.00 0.00 O ATOM 779 CB LYS A 47 6.244 -9.110 -4.360 1.00 0.00 C ATOM 780 CG LYS A 47 5.511 -9.854 -5.487 1.00 0.00 C ATOM 781 CD LYS A 47 6.303 -9.914 -6.776 1.00 0.00 C ATOM 782 CE LYS A 47 7.504 -10.843 -6.684 1.00 0.00 C ATOM 783 NZ LYS A 47 7.105 -12.247 -6.414 1.00 0.00 N ATOM 0 H LYS A 47 4.261 -7.269 -3.389 1.00 0.00 H new ATOM 0 HA LYS A 47 5.180 -9.966 -2.708 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.531 -8.120 -4.714 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.164 -9.642 -4.120 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.287 -10.869 -5.158 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.557 -9.363 -5.677 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.651 -10.248 -7.583 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.643 -8.912 -7.036 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.067 -10.800 -7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.169 -10.497 -5.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.907 -12.879 -6.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.823 -12.342 -5.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.305 -12.504 -7.027 1.00 0.00 H new ATOM 797 N GLN A 48 7.328 -8.662 -1.694 1.00 0.00 N ATOM 798 CA GLN A 48 8.169 -8.297 -0.524 1.00 0.00 C ATOM 799 C GLN A 48 8.683 -6.839 -0.499 1.00 0.00 C ATOM 800 O GLN A 48 9.150 -6.327 0.537 1.00 0.00 O ATOM 801 CB GLN A 48 9.327 -9.321 -0.393 1.00 0.00 C ATOM 802 CG GLN A 48 10.548 -8.798 0.329 1.00 0.00 C ATOM 803 CD GLN A 48 11.529 -9.853 0.734 1.00 0.00 C ATOM 804 OE1 GLN A 48 12.423 -10.222 -0.034 1.00 0.00 O ATOM 805 NE2 GLN A 48 11.409 -10.314 1.949 1.00 0.00 N ATOM 0 H GLN A 48 7.793 -9.332 -2.307 1.00 0.00 H new ATOM 0 HA GLN A 48 7.517 -8.344 0.348 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.959 -10.201 0.133 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.622 -9.646 -1.391 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.054 -8.077 -0.314 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.225 -8.259 1.220 1.00 0.00 H new ATOM 0 HE21 GLN A 48 10.655 -9.980 2.549 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.070 -11.008 2.299 1.00 0.00 H new ATOM 814 N GLY A 49 8.568 -6.183 -1.562 1.00 0.00 N ATOM 815 CA GLY A 49 9.069 -4.843 -1.630 1.00 0.00 C ATOM 816 C GLY A 49 8.059 -3.956 -2.251 1.00 0.00 C ATOM 817 O GLY A 49 8.340 -2.814 -2.629 1.00 0.00 O ATOM 0 H GLY A 49 8.133 -6.529 -2.417 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.313 -4.486 -0.629 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.991 -4.820 -2.210 1.00 0.00 H new ATOM 821 N GLU A 50 6.870 -4.466 -2.315 1.00 0.00 N ATOM 822 CA GLU A 50 5.788 -3.807 -2.936 1.00 0.00 C ATOM 823 C GLU A 50 5.280 -2.646 -2.141 1.00 0.00 C ATOM 824 O GLU A 50 4.876 -2.768 -0.970 1.00 0.00 O ATOM 825 CB GLU A 50 4.702 -4.786 -3.275 1.00 0.00 C ATOM 826 CG GLU A 50 4.955 -5.511 -4.582 1.00 0.00 C ATOM 827 CD GLU A 50 5.043 -4.564 -5.745 1.00 0.00 C ATOM 828 OE1 GLU A 50 4.005 -4.152 -6.265 1.00 0.00 O ATOM 829 OE2 GLU A 50 6.165 -4.195 -6.161 1.00 0.00 O ATOM 0 H GLU A 50 6.629 -5.376 -1.924 1.00 0.00 H new ATOM 0 HA GLU A 50 6.158 -3.378 -3.867 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.613 -5.516 -2.471 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.749 -4.259 -3.335 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.882 -6.080 -4.507 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.154 -6.229 -4.759 1.00 0.00 H new ATOM 836 N GLN A 51 5.289 -1.531 -2.789 1.00 0.00 N ATOM 837 CA GLN A 51 4.872 -0.320 -2.230 1.00 0.00 C ATOM 838 C GLN A 51 3.449 -0.163 -2.585 1.00 0.00 C ATOM 839 O GLN A 51 3.074 0.228 -3.691 1.00 0.00 O ATOM 840 CB GLN A 51 5.685 0.864 -2.760 1.00 0.00 C ATOM 841 CG GLN A 51 7.183 0.811 -2.462 1.00 0.00 C ATOM 842 CD GLN A 51 7.494 0.566 -0.997 1.00 0.00 C ATOM 843 OE1 GLN A 51 7.577 1.498 -0.197 1.00 0.00 O ATOM 844 NE2 GLN A 51 7.722 -0.671 -0.646 1.00 0.00 N ATOM 0 H GLN A 51 5.601 -1.450 -3.757 1.00 0.00 H new ATOM 0 HA GLN A 51 5.020 -0.335 -1.150 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.548 0.924 -3.840 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.279 1.782 -2.335 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.638 0.021 -3.060 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.642 1.750 -2.772 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.644 -1.419 -1.335 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.978 -0.889 0.317 1.00 0.00 H new ATOM 853 N ILE A 52 2.703 -0.554 -1.672 1.00 0.00 N ATOM 854 CA ILE A 52 1.275 -0.521 -1.713 1.00 0.00 C ATOM 855 C ILE A 52 0.692 0.582 -0.857 1.00 0.00 C ATOM 856 O ILE A 52 1.338 1.119 0.025 1.00 0.00 O ATOM 857 CB ILE A 52 0.701 -1.845 -1.255 1.00 0.00 C ATOM 858 CG1 ILE A 52 1.260 -2.226 0.074 1.00 0.00 C ATOM 859 CG2 ILE A 52 1.005 -2.918 -2.243 1.00 0.00 C ATOM 860 CD1 ILE A 52 0.622 -3.419 0.612 1.00 0.00 C ATOM 0 H ILE A 52 3.066 -0.939 -0.800 1.00 0.00 H new ATOM 0 HA ILE A 52 1.003 -0.326 -2.750 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.380 -1.731 -1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.332 -2.399 -0.020 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.130 -1.399 0.772 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.584 -3.862 -1.896 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.568 -2.659 -3.208 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.085 -3.019 -2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.060 -3.660 1.581 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.446 -3.238 0.731 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.774 -4.253 -0.073 1.00 0.00 H new ATOM 872 N GLU A 53 -0.496 0.948 -1.141 1.00 0.00 N ATOM 873 CA GLU A 53 -1.167 1.954 -0.363 1.00 0.00 C ATOM 874 C GLU A 53 -2.474 1.372 0.127 1.00 0.00 C ATOM 875 O GLU A 53 -3.177 0.743 -0.651 1.00 0.00 O ATOM 876 CB GLU A 53 -1.421 3.208 -1.212 1.00 0.00 C ATOM 877 CG GLU A 53 -0.172 3.817 -1.845 1.00 0.00 C ATOM 878 CD GLU A 53 -0.470 5.003 -2.740 1.00 0.00 C ATOM 879 OE1 GLU A 53 -0.624 6.144 -2.233 1.00 0.00 O ATOM 880 OE2 GLU A 53 -0.565 4.818 -3.977 1.00 0.00 O ATOM 0 H GLU A 53 -1.044 0.570 -1.914 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.548 2.249 0.484 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.127 2.957 -2.004 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.899 3.962 -0.587 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.511 4.129 -1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.342 3.052 -2.427 1.00 0.00 H new ATOM 887 N ILE A 54 -2.788 1.513 1.409 1.00 0.00 N ATOM 888 CA ILE A 54 -4.082 0.976 1.854 1.00 0.00 C ATOM 889 C ILE A 54 -5.141 2.059 1.986 1.00 0.00 C ATOM 890 O ILE A 54 -4.859 3.197 2.389 1.00 0.00 O ATOM 891 CB ILE A 54 -4.085 0.022 3.115 1.00 0.00 C ATOM 892 CG1 ILE A 54 -4.077 0.770 4.432 1.00 0.00 C ATOM 893 CG2 ILE A 54 -2.913 -0.936 3.075 1.00 0.00 C ATOM 894 CD1 ILE A 54 -2.837 1.524 4.672 1.00 0.00 C ATOM 0 H ILE A 54 -2.214 1.962 2.123 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.339 0.307 1.033 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.021 -0.534 3.060 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.922 1.459 4.455 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.224 0.059 5.245 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.940 -1.580 3.954 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.974 -1.548 2.175 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.981 -0.371 3.068 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.902 2.035 5.633 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.990 0.838 4.682 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.699 2.259 3.879 1.00 0.00 H new ATOM 906 N ILE A 55 -6.340 1.687 1.646 1.00 0.00 N ATOM 907 CA ILE A 55 -7.476 2.584 1.588 1.00 0.00 C ATOM 908 C ILE A 55 -8.488 2.247 2.693 1.00 0.00 C ATOM 909 O ILE A 55 -9.308 3.085 3.096 1.00 0.00 O ATOM 910 CB ILE A 55 -8.169 2.495 0.169 1.00 0.00 C ATOM 911 CG1 ILE A 55 -7.313 3.096 -0.969 1.00 0.00 C ATOM 912 CG2 ILE A 55 -9.575 3.055 0.136 1.00 0.00 C ATOM 913 CD1 ILE A 55 -6.124 2.263 -1.381 1.00 0.00 C ATOM 0 H ILE A 55 -6.570 0.726 1.393 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.120 3.602 1.745 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.252 1.424 -0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.950 3.249 -1.840 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.959 4.078 -0.657 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.982 2.958 -0.871 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.203 2.504 0.836 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.554 4.108 0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.587 2.768 -2.184 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.459 2.131 -0.527 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.466 1.288 -1.729 1.00 0.00 H new ATOM 925 N ARG A 56 -8.434 1.039 3.192 1.00 0.00 N ATOM 926 CA ARG A 56 -9.396 0.629 4.193 1.00 0.00 C ATOM 927 C ARG A 56 -8.742 0.049 5.436 1.00 0.00 C ATOM 928 O ARG A 56 -8.019 -0.951 5.364 1.00 0.00 O ATOM 929 CB ARG A 56 -10.402 -0.371 3.614 1.00 0.00 C ATOM 930 CG ARG A 56 -11.428 -0.872 4.623 1.00 0.00 C ATOM 931 CD ARG A 56 -12.336 -1.930 4.032 1.00 0.00 C ATOM 932 NE ARG A 56 -13.173 -1.411 2.955 1.00 0.00 N ATOM 933 CZ ARG A 56 -13.820 -2.148 2.053 1.00 0.00 C ATOM 934 NH1 ARG A 56 -13.727 -3.478 2.061 1.00 0.00 N ATOM 935 NH2 ARG A 56 -14.571 -1.540 1.161 1.00 0.00 N ATOM 0 H ARG A 56 -7.749 0.330 2.931 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.924 1.533 4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.926 0.097 2.781 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.858 -1.225 3.209 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.912 -1.281 5.492 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.029 -0.034 4.975 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.730 -2.753 3.653 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.972 -2.338 4.817 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.271 -0.398 2.887 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.155 -3.945 2.764 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.228 -4.028 1.364 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.650 -0.523 1.169 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.075 -2.085 0.462 1.00 0.00 H new ATOM 949 N ILE A 57 -9.027 0.674 6.552 1.00 0.00 N ATOM 950 CA ILE A 57 -8.624 0.212 7.863 1.00 0.00 C ATOM 951 C ILE A 57 -9.926 -0.169 8.528 1.00 0.00 C ATOM 952 O ILE A 57 -10.705 0.703 8.922 1.00 0.00 O ATOM 953 CB ILE A 57 -7.960 1.336 8.714 1.00 0.00 C ATOM 954 CG1 ILE A 57 -6.808 2.027 7.959 1.00 0.00 C ATOM 955 CG2 ILE A 57 -7.477 0.785 10.050 1.00 0.00 C ATOM 956 CD1 ILE A 57 -5.657 1.129 7.586 1.00 0.00 C ATOM 0 H ILE A 57 -9.561 1.543 6.577 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.894 -0.594 7.781 1.00 0.00 H new ATOM 0 HB ILE A 57 -8.721 2.093 8.904 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.208 2.475 7.050 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.428 2.842 8.575 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.017 1.586 10.629 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -8.323 0.378 10.603 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.745 -0.003 9.875 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.899 1.709 7.059 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.223 0.700 8.489 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.015 0.328 6.940 1.00 0.00 H new ATOM 968 N THR A 58 -10.206 -1.422 8.602 1.00 0.00 N ATOM 969 CA THR A 58 -11.503 -1.823 9.037 1.00 0.00 C ATOM 970 C THR A 58 -11.426 -2.835 10.169 1.00 0.00 C ATOM 971 O THR A 58 -10.393 -3.508 10.355 1.00 0.00 O ATOM 972 CB THR A 58 -12.306 -2.397 7.829 1.00 0.00 C ATOM 973 OG1 THR A 58 -13.668 -2.623 8.181 1.00 0.00 O ATOM 974 CG2 THR A 58 -11.694 -3.702 7.317 1.00 0.00 C ATOM 0 H THR A 58 -9.566 -2.182 8.371 1.00 0.00 H new ATOM 0 HA THR A 58 -12.022 -0.947 9.427 1.00 0.00 H new ATOM 0 HB THR A 58 -12.258 -1.652 7.035 1.00 0.00 H new ATOM 0 HG1 THR A 58 -14.151 -2.981 7.407 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.279 -4.073 6.476 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.669 -3.521 6.994 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.697 -4.443 8.116 1.00 0.00 H new ATOM 1037 N GLY A 63 -10.522 -10.164 8.405 1.00 0.00 N ATOM 1038 CA GLY A 63 -9.186 -10.486 8.846 1.00 0.00 C ATOM 1039 C GLY A 63 -8.121 -9.721 8.117 1.00 0.00 C ATOM 1040 O GLY A 63 -6.939 -10.036 8.244 1.00 0.00 O ATOM 0 HA2 GLY A 63 -9.104 -10.282 9.914 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.014 -11.554 8.711 1.00 0.00 H new ATOM 1044 N LYS A 64 -8.510 -8.737 7.330 1.00 0.00 N ATOM 1045 CA LYS A 64 -7.551 -8.023 6.503 1.00 0.00 C ATOM 1046 C LYS A 64 -7.757 -6.491 6.552 1.00 0.00 C ATOM 1047 O LYS A 64 -8.606 -5.968 7.288 1.00 0.00 O ATOM 1048 CB LYS A 64 -7.699 -8.458 5.041 1.00 0.00 C ATOM 1049 CG LYS A 64 -7.821 -9.951 4.775 1.00 0.00 C ATOM 1050 CD LYS A 64 -6.601 -10.759 5.130 1.00 0.00 C ATOM 1051 CE LYS A 64 -6.857 -12.211 4.770 1.00 0.00 C ATOM 1052 NZ LYS A 64 -5.717 -13.076 5.069 1.00 0.00 N ATOM 0 H LYS A 64 -9.474 -8.414 7.244 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.563 -8.263 6.896 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.581 -7.967 4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.838 -8.084 4.487 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.671 -10.337 5.337 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.043 -10.100 3.718 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.730 -10.384 4.592 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.383 -10.666 6.194 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.731 -12.567 5.315 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.093 -12.282 3.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.952 -14.058 4.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.892 -12.766 4.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.495 -13.020 6.084 1.00 0.00 H new ATOM 1066 N TRP A 65 -6.933 -5.812 5.780 1.00 0.00 N ATOM 1067 CA TRP A 65 -7.068 -4.405 5.417 1.00 0.00 C ATOM 1068 C TRP A 65 -7.160 -4.354 3.910 1.00 0.00 C ATOM 1069 O TRP A 65 -6.806 -5.317 3.261 1.00 0.00 O ATOM 1070 CB TRP A 65 -5.861 -3.572 5.878 1.00 0.00 C ATOM 1071 CG TRP A 65 -5.920 -3.150 7.308 1.00 0.00 C ATOM 1072 CD1 TRP A 65 -6.947 -3.365 8.181 1.00 0.00 C ATOM 1073 CD2 TRP A 65 -4.929 -2.408 8.032 1.00 0.00 C ATOM 1074 NE1 TRP A 65 -6.652 -2.829 9.397 1.00 0.00 N ATOM 1075 CE2 TRP A 65 -5.426 -2.234 9.338 1.00 0.00 C ATOM 1076 CE3 TRP A 65 -3.661 -1.874 7.722 1.00 0.00 C ATOM 1077 CZ2 TRP A 65 -4.717 -1.561 10.317 1.00 0.00 C ATOM 1078 CZ3 TRP A 65 -2.978 -1.219 8.695 1.00 0.00 C ATOM 1079 CH2 TRP A 65 -3.495 -1.062 9.980 1.00 0.00 C ATOM 0 H TRP A 65 -6.107 -6.243 5.365 1.00 0.00 H new ATOM 0 HA TRP A 65 -7.950 -3.986 5.902 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.952 -4.152 5.719 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -5.786 -2.683 5.251 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.862 -3.886 7.941 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.252 -2.866 10.221 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.243 -1.984 6.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -5.118 -1.436 11.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -2.006 -0.808 8.467 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -2.915 -0.534 10.723 1.00 0.00 H new ATOM 1090 N LEU A 66 -7.631 -3.273 3.350 1.00 0.00 N ATOM 1091 CA LEU A 66 -7.726 -3.182 1.899 1.00 0.00 C ATOM 1092 C LEU A 66 -6.651 -2.271 1.365 1.00 0.00 C ATOM 1093 O LEU A 66 -6.593 -1.083 1.724 1.00 0.00 O ATOM 1094 CB LEU A 66 -9.158 -2.752 1.442 1.00 0.00 C ATOM 1095 CG LEU A 66 -9.442 -2.543 -0.087 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -8.931 -1.197 -0.594 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -8.834 -3.666 -0.919 1.00 0.00 C ATOM 0 H LEU A 66 -7.953 -2.449 3.858 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.560 -4.173 1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.858 -3.504 1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.399 -1.819 1.951 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.526 -2.557 -0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.152 -1.101 -1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.422 -0.392 -0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.854 -1.135 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.047 -3.494 -1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.755 -3.689 -0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.264 -4.620 -0.613 1.00 0.00 H new ATOM 1109 N GLY A 67 -5.821 -2.817 0.513 1.00 0.00 N ATOM 1110 CA GLY A 67 -4.761 -2.077 -0.080 1.00 0.00 C ATOM 1111 C GLY A 67 -4.812 -2.116 -1.588 1.00 0.00 C ATOM 1112 O GLY A 67 -5.725 -2.701 -2.176 1.00 0.00 O ATOM 0 H GLY A 67 -5.870 -3.792 0.217 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.810 -1.042 0.257 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.806 -2.478 0.260 1.00 0.00 H new ATOM 1116 N ARG A 68 -3.831 -1.523 -2.199 1.00 0.00 N ATOM 1117 CA ARG A 68 -3.688 -1.454 -3.628 1.00 0.00 C ATOM 1118 C ARG A 68 -2.201 -1.367 -3.908 1.00 0.00 C ATOM 1119 O ARG A 68 -1.467 -0.804 -3.100 1.00 0.00 O ATOM 1120 CB ARG A 68 -4.372 -0.182 -4.216 1.00 0.00 C ATOM 1121 CG ARG A 68 -3.621 1.132 -3.938 1.00 0.00 C ATOM 1122 CD ARG A 68 -4.272 2.340 -4.588 1.00 0.00 C ATOM 1123 NE ARG A 68 -3.417 3.540 -4.480 1.00 0.00 N ATOM 1124 CZ ARG A 68 -3.793 4.804 -4.745 1.00 0.00 C ATOM 1125 NH1 ARG A 68 -5.051 5.098 -5.031 1.00 0.00 N ATOM 1126 NH2 ARG A 68 -2.900 5.764 -4.686 1.00 0.00 N ATOM 0 H ARG A 68 -3.076 -1.054 -1.698 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.156 -2.326 -4.085 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.475 -0.306 -5.294 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.379 -0.104 -3.806 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.567 1.292 -2.861 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.596 1.041 -4.299 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.470 2.127 -5.638 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.235 2.534 -4.115 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.454 3.397 -4.177 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.755 4.360 -5.053 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.317 6.063 -5.229 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.934 5.547 -4.441 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.172 6.727 -4.885 1.00 0.00 H new ATOM 1140 N THR A 69 -1.753 -1.936 -4.977 1.00 0.00 N ATOM 1141 CA THR A 69 -0.395 -1.763 -5.390 1.00 0.00 C ATOM 1142 C THR A 69 -0.304 -0.491 -6.199 1.00 0.00 C ATOM 1143 O THR A 69 -1.336 0.036 -6.658 1.00 0.00 O ATOM 1144 CB THR A 69 0.102 -2.946 -6.253 1.00 0.00 C ATOM 1145 OG1 THR A 69 -0.884 -3.293 -7.246 1.00 0.00 O ATOM 1146 CG2 THR A 69 0.446 -4.154 -5.408 1.00 0.00 C ATOM 0 H THR A 69 -2.312 -2.531 -5.588 1.00 0.00 H new ATOM 0 HA THR A 69 0.233 -1.715 -4.500 1.00 0.00 H new ATOM 0 HB THR A 69 1.015 -2.625 -6.755 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.555 -4.042 -7.786 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.791 -4.963 -6.052 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.234 -3.892 -4.702 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.439 -4.479 -4.860 1.00 0.00 H new ATOM 1154 N ALA A 70 0.896 -0.027 -6.437 1.00 0.00 N ATOM 1155 CA ALA A 70 1.105 1.159 -7.240 1.00 0.00 C ATOM 1156 C ALA A 70 1.028 0.773 -8.722 1.00 0.00 C ATOM 1157 O ALA A 70 1.216 1.599 -9.619 1.00 0.00 O ATOM 1158 CB ALA A 70 2.446 1.789 -6.901 1.00 0.00 C ATOM 0 H ALA A 70 1.753 -0.454 -6.084 1.00 0.00 H new ATOM 0 HA ALA A 70 0.332 1.897 -7.028 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.594 2.681 -7.511 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.463 2.064 -5.846 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.245 1.075 -7.103 1.00 0.00 H new ATOM 1164 N ARG A 71 0.744 -0.500 -8.949 1.00 0.00 N ATOM 1165 CA ARG A 71 0.596 -1.075 -10.266 1.00 0.00 C ATOM 1166 C ARG A 71 -0.870 -1.003 -10.700 1.00 0.00 C ATOM 1167 O ARG A 71 -1.183 -1.095 -11.890 1.00 0.00 O ATOM 1168 CB ARG A 71 1.046 -2.535 -10.234 1.00 0.00 C ATOM 1169 CG ARG A 71 2.420 -2.730 -9.627 1.00 0.00 C ATOM 1170 CD ARG A 71 2.827 -4.183 -9.615 1.00 0.00 C ATOM 1171 NE ARG A 71 4.101 -4.365 -8.931 1.00 0.00 N ATOM 1172 CZ ARG A 71 5.239 -4.756 -9.501 1.00 0.00 C ATOM 1173 NH1 ARG A 71 5.285 -5.011 -10.806 1.00 0.00 N ATOM 1174 NH2 ARG A 71 6.328 -4.871 -8.767 1.00 0.00 N ATOM 0 H ARG A 71 0.607 -1.176 -8.197 1.00 0.00 H new ATOM 0 HA ARG A 71 1.208 -0.518 -10.975 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.321 -3.118 -9.667 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.047 -2.929 -11.250 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.152 -2.152 -10.192 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.425 -2.343 -8.608 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.057 -4.775 -9.120 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.904 -4.551 -10.638 1.00 0.00 H new ATOM 0 HE ARG A 71 4.123 -4.177 -7.929 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.445 -4.907 -11.376 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.160 -5.310 -11.237 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.295 -4.661 -7.769 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.203 -5.170 -9.197 1.00 0.00 H new ATOM 1188 N GLY A 72 -1.764 -0.846 -9.731 1.00 0.00 N ATOM 1189 CA GLY A 72 -3.181 -0.749 -10.036 1.00 0.00 C ATOM 1190 C GLY A 72 -3.954 -2.031 -9.750 1.00 0.00 C ATOM 1191 O GLY A 72 -4.831 -2.417 -10.513 1.00 0.00 O ATOM 0 H GLY A 72 -1.534 -0.784 -8.739 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.615 0.065 -9.455 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.301 -0.489 -11.088 1.00 0.00 H new ATOM 1195 N SER A 73 -3.599 -2.724 -8.697 1.00 0.00 N ATOM 1196 CA SER A 73 -4.308 -3.894 -8.283 1.00 0.00 C ATOM 1197 C SER A 73 -4.644 -3.746 -6.819 1.00 0.00 C ATOM 1198 O SER A 73 -3.832 -3.271 -6.049 1.00 0.00 O ATOM 1199 CB SER A 73 -3.465 -5.131 -8.536 1.00 0.00 C ATOM 1200 OG SER A 73 -3.092 -5.183 -9.909 1.00 0.00 O ATOM 0 H SER A 73 -2.804 -2.485 -8.104 1.00 0.00 H new ATOM 0 HA SER A 73 -5.229 -4.007 -8.854 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.575 -5.111 -7.908 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.025 -6.026 -8.267 1.00 0.00 H new ATOM 0 HG SER A 73 -2.547 -5.981 -10.070 1.00 0.00 H new ATOM 1206 N TYR A 74 -5.821 -4.106 -6.463 1.00 0.00 N ATOM 1207 CA TYR A 74 -6.297 -3.962 -5.098 1.00 0.00 C ATOM 1208 C TYR A 74 -6.343 -5.304 -4.429 1.00 0.00 C ATOM 1209 O TYR A 74 -6.501 -6.327 -5.101 1.00 0.00 O ATOM 1210 CB TYR A 74 -7.686 -3.329 -5.075 1.00 0.00 C ATOM 1211 CG TYR A 74 -7.740 -1.913 -5.589 1.00 0.00 C ATOM 1212 CD1 TYR A 74 -7.599 -1.627 -6.945 1.00 0.00 C ATOM 1213 CD2 TYR A 74 -7.933 -0.863 -4.718 1.00 0.00 C ATOM 1214 CE1 TYR A 74 -7.648 -0.338 -7.408 1.00 0.00 C ATOM 1215 CE2 TYR A 74 -7.986 0.429 -5.175 1.00 0.00 C ATOM 1216 CZ TYR A 74 -7.844 0.686 -6.520 1.00 0.00 C ATOM 1217 OH TYR A 74 -7.891 1.979 -6.966 1.00 0.00 O ATOM 0 H TYR A 74 -6.504 -4.515 -7.101 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.608 -3.311 -4.560 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.361 -3.944 -5.671 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.061 -3.344 -4.052 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.448 -2.436 -7.644 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.044 -1.060 -3.662 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.533 -0.132 -8.462 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.139 1.243 -4.482 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.038 2.582 -6.207 1.00 0.00 H new ATOM 1227 N GLY A 75 -6.198 -5.326 -3.143 1.00 0.00 N ATOM 1228 CA GLY A 75 -6.224 -6.579 -2.452 1.00 0.00 C ATOM 1229 C GLY A 75 -6.287 -6.429 -0.983 1.00 0.00 C ATOM 1230 O GLY A 75 -5.855 -5.409 -0.446 1.00 0.00 O ATOM 0 H GLY A 75 -6.062 -4.504 -2.555 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.085 -7.156 -2.790 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.334 -7.151 -2.715 1.00 0.00 H new ATOM 1234 N TYR A 76 -6.853 -7.408 -0.323 1.00 0.00 N ATOM 1235 CA TYR A 76 -6.836 -7.436 1.098 1.00 0.00 C ATOM 1236 C TYR A 76 -5.461 -7.819 1.575 1.00 0.00 C ATOM 1237 O TYR A 76 -4.701 -8.474 0.868 1.00 0.00 O ATOM 1238 CB TYR A 76 -7.889 -8.368 1.671 1.00 0.00 C ATOM 1239 CG TYR A 76 -9.299 -7.833 1.625 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -9.561 -6.488 1.846 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -10.367 -8.676 1.410 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -10.848 -6.006 1.847 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -11.656 -8.200 1.402 1.00 0.00 C ATOM 1244 CZ TYR A 76 -11.892 -6.867 1.620 1.00 0.00 C ATOM 1245 OH TYR A 76 -13.182 -6.396 1.639 1.00 0.00 O ATOM 0 H TYR A 76 -7.331 -8.196 -0.760 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.081 -6.437 1.458 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.855 -9.311 1.125 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.633 -8.590 2.707 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.740 -5.809 2.020 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.188 -9.728 1.245 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.036 -4.958 2.025 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.481 -8.874 1.224 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.802 -7.133 1.459 1.00 0.00 H new ATOM 1255 N ILE A 77 -5.123 -7.387 2.729 1.00 0.00 N ATOM 1256 CA ILE A 77 -3.824 -7.603 3.247 1.00 0.00 C ATOM 1257 C ILE A 77 -3.933 -8.006 4.681 1.00 0.00 C ATOM 1258 O ILE A 77 -4.707 -7.397 5.418 1.00 0.00 O ATOM 1259 CB ILE A 77 -3.036 -6.272 3.244 1.00 0.00 C ATOM 1260 CG1 ILE A 77 -3.090 -5.576 1.890 1.00 0.00 C ATOM 1261 CG2 ILE A 77 -1.610 -6.551 3.599 1.00 0.00 C ATOM 1262 CD1 ILE A 77 -2.573 -4.170 1.903 1.00 0.00 C ATOM 0 H ILE A 77 -5.745 -6.868 3.349 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.331 -8.364 2.641 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.496 -5.607 3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.512 -6.157 1.172 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.122 -5.569 1.538 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.046 -5.618 3.599 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.563 -7.004 4.589 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.180 -7.235 2.867 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.646 -3.746 0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.165 -3.571 2.595 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.531 -4.168 2.222 1.00 0.00 H new ATOM 1274 N LYS A 78 -3.208 -9.021 5.100 1.00 0.00 N ATOM 1275 CA LYS A 78 -3.110 -9.235 6.519 1.00 0.00 C ATOM 1276 C LYS A 78 -2.249 -8.095 7.053 1.00 0.00 C ATOM 1277 O LYS A 78 -1.273 -7.718 6.414 1.00 0.00 O ATOM 1278 CB LYS A 78 -2.421 -10.542 6.904 1.00 0.00 C ATOM 1279 CG LYS A 78 -3.214 -11.815 6.749 1.00 0.00 C ATOM 1280 CD LYS A 78 -2.409 -12.970 7.333 1.00 0.00 C ATOM 1281 CE LYS A 78 -3.155 -14.289 7.302 1.00 0.00 C ATOM 1282 NZ LYS A 78 -2.346 -15.383 7.874 1.00 0.00 N ATOM 0 H LYS A 78 -2.702 -9.680 4.508 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.119 -9.278 6.928 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.515 -10.634 6.305 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.108 -10.464 7.945 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.173 -11.727 7.260 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.430 -11.999 5.697 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.477 -13.073 6.777 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.142 -12.735 8.363 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.087 -14.194 7.860 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.423 -14.533 6.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.887 -16.271 7.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.468 -15.489 7.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.112 -15.161 8.863 1.00 0.00 H new ATOM 1296 N THR A 79 -2.556 -7.594 8.199 1.00 0.00 N ATOM 1297 CA THR A 79 -1.833 -6.449 8.764 1.00 0.00 C ATOM 1298 C THR A 79 -0.356 -6.776 9.090 1.00 0.00 C ATOM 1299 O THR A 79 0.470 -5.892 9.304 1.00 0.00 O ATOM 1300 CB THR A 79 -2.567 -5.970 10.008 1.00 0.00 C ATOM 1301 OG1 THR A 79 -2.674 -7.062 10.937 1.00 0.00 O ATOM 1302 CG2 THR A 79 -3.959 -5.542 9.617 1.00 0.00 C ATOM 0 H THR A 79 -3.309 -7.947 8.789 1.00 0.00 H new ATOM 0 HA THR A 79 -1.809 -5.659 8.013 1.00 0.00 H new ATOM 0 HB THR A 79 -2.026 -5.139 10.461 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.144 -6.761 11.742 1.00 0.00 H new ATOM 0 HG21 THR A 79 -4.495 -5.196 10.501 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.900 -4.733 8.889 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.490 -6.387 9.178 1.00 0.00 H new ATOM 1310 N THR A 80 -0.048 -8.045 9.062 1.00 0.00 N ATOM 1311 CA THR A 80 1.261 -8.552 9.349 1.00 0.00 C ATOM 1312 C THR A 80 2.044 -8.733 8.035 1.00 0.00 C ATOM 1313 O THR A 80 3.264 -8.865 8.037 1.00 0.00 O ATOM 1314 CB THR A 80 1.110 -9.900 10.101 1.00 0.00 C ATOM 1315 OG1 THR A 80 2.380 -10.502 10.428 1.00 0.00 O ATOM 1316 CG2 THR A 80 0.272 -10.857 9.282 1.00 0.00 C ATOM 0 H THR A 80 -0.723 -8.774 8.832 1.00 0.00 H new ATOM 0 HA THR A 80 1.815 -7.854 9.976 1.00 0.00 H new ATOM 0 HB THR A 80 0.610 -9.687 11.046 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.229 -11.347 10.901 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.171 -11.801 9.817 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.715 -10.426 9.116 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.756 -11.034 8.322 1.00 0.00 H new ATOM 1324 N ALA A 81 1.327 -8.707 6.917 1.00 0.00 N ATOM 1325 CA ALA A 81 1.938 -8.874 5.595 1.00 0.00 C ATOM 1326 C ALA A 81 2.585 -7.582 5.159 1.00 0.00 C ATOM 1327 O ALA A 81 3.457 -7.564 4.284 1.00 0.00 O ATOM 1328 CB ALA A 81 0.888 -9.290 4.560 1.00 0.00 C ATOM 0 H ALA A 81 0.316 -8.571 6.896 1.00 0.00 H new ATOM 0 HA ALA A 81 2.693 -9.657 5.665 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.364 -9.408 3.586 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.436 -10.235 4.860 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.116 -8.523 4.496 1.00 0.00 H new ATOM 1334 N VAL A 82 2.165 -6.498 5.775 1.00 0.00 N ATOM 1335 CA VAL A 82 2.640 -5.185 5.395 1.00 0.00 C ATOM 1336 C VAL A 82 3.019 -4.356 6.576 1.00 0.00 C ATOM 1337 O VAL A 82 2.667 -4.666 7.716 1.00 0.00 O ATOM 1338 CB VAL A 82 1.623 -4.393 4.536 1.00 0.00 C ATOM 1339 CG1 VAL A 82 1.366 -5.118 3.266 1.00 0.00 C ATOM 1340 CG2 VAL A 82 0.315 -4.161 5.270 1.00 0.00 C ATOM 0 H VAL A 82 1.494 -6.500 6.543 1.00 0.00 H new ATOM 0 HA VAL A 82 3.525 -5.378 4.790 1.00 0.00 H new ATOM 0 HB VAL A 82 2.059 -3.417 4.325 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.650 -4.557 2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.299 -5.225 2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.960 -6.105 3.486 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.367 -3.602 4.630 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.133 -5.121 5.527 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.505 -3.593 6.181 1.00 0.00 H new ATOM 1350 N GLU A 83 3.744 -3.319 6.296 1.00 0.00 N ATOM 1351 CA GLU A 83 4.164 -2.381 7.274 1.00 0.00 C ATOM 1352 C GLU A 83 3.537 -1.025 6.952 1.00 0.00 C ATOM 1353 O GLU A 83 3.883 -0.397 5.949 1.00 0.00 O ATOM 1354 CB GLU A 83 5.688 -2.287 7.259 1.00 0.00 C ATOM 1355 CG GLU A 83 6.381 -3.642 7.356 1.00 0.00 C ATOM 1356 CD GLU A 83 7.871 -3.527 7.417 1.00 0.00 C ATOM 1357 OE1 GLU A 83 8.521 -3.474 6.357 1.00 0.00 O ATOM 1358 OE2 GLU A 83 8.422 -3.475 8.540 1.00 0.00 O ATOM 0 H GLU A 83 4.066 -3.101 5.353 1.00 0.00 H new ATOM 0 HA GLU A 83 3.845 -2.695 8.268 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.005 -1.790 6.342 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.014 -1.661 8.089 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.025 -4.165 8.244 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.103 -4.250 6.495 1.00 0.00 H new ATOM 1365 N ILE A 84 2.565 -0.645 7.737 1.00 0.00 N ATOM 1366 CA ILE A 84 1.894 0.638 7.608 1.00 0.00 C ATOM 1367 C ILE A 84 2.659 1.733 8.351 1.00 0.00 C ATOM 1368 O ILE A 84 2.994 1.578 9.542 1.00 0.00 O ATOM 1369 CB ILE A 84 0.386 0.573 8.114 1.00 0.00 C ATOM 1370 CG1 ILE A 84 -0.598 0.336 6.985 1.00 0.00 C ATOM 1371 CG2 ILE A 84 -0.050 1.767 8.918 1.00 0.00 C ATOM 1372 CD1 ILE A 84 -0.516 -0.983 6.379 1.00 0.00 C ATOM 0 H ILE A 84 2.205 -1.221 8.498 1.00 0.00 H new ATOM 0 HA ILE A 84 1.876 0.884 6.546 1.00 0.00 H new ATOM 0 HB ILE A 84 0.375 -0.287 8.783 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.609 0.485 7.364 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.433 1.087 6.213 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.089 1.641 9.222 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.579 1.859 9.803 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.044 2.668 8.312 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.255 -1.064 5.582 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.481 -1.132 5.965 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.713 -1.743 7.135 1.00 0.00 H new ATOM 1384 N ASP A 85 2.946 2.810 7.660 1.00 0.00 N ATOM 1385 CA ASP A 85 3.580 3.959 8.281 1.00 0.00 C ATOM 1386 C ASP A 85 2.689 5.179 8.146 1.00 0.00 C ATOM 1387 O ASP A 85 1.800 5.244 7.263 1.00 0.00 O ATOM 1388 CB ASP A 85 4.978 4.255 7.709 1.00 0.00 C ATOM 1389 CG ASP A 85 4.972 4.802 6.301 1.00 0.00 C ATOM 1390 OD1 ASP A 85 4.876 4.017 5.349 1.00 0.00 O ATOM 1391 OD2 ASP A 85 5.122 6.039 6.135 1.00 0.00 O ATOM 0 H ASP A 85 2.752 2.919 6.665 1.00 0.00 H new ATOM 0 HA ASP A 85 3.717 3.716 9.335 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.481 4.969 8.361 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.567 3.338 7.727 1.00 0.00 H new