USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=15 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -178:sc= 1.01 (180deg=1.01) USER MOD Single : A 20 LYS NZ :NH3+ 169:sc=-0.00815 (180deg=-0.163) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HE2:sc= 0.606 K(o=0.61,f=-2.8!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -148:sc= 1.25 (180deg=0.884) USER MOD Single : A 41 LYS NZ :NH3+ -144:sc= -1.1 (180deg=-3.26!) USER MOD Single : A 42 ASN : amide:sc= 0.0523 K(o=0.052,f=-2.9!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 65:sc= 0.706 USER MOD Single : A 64 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0411) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.63 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 130:sc= 0.726 USER MOD Single : A 76 TYR OH : rot 180:sc= 0.337 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 -12.914 -4.924 -11.226 1.00 0.00 N ATOM 245 CA GLU A 14 -13.488 -6.071 -10.555 1.00 0.00 C ATOM 246 C GLU A 14 -13.501 -5.788 -9.054 1.00 0.00 C ATOM 247 O GLU A 14 -14.508 -5.978 -8.378 1.00 0.00 O ATOM 248 CB GLU A 14 -12.656 -7.328 -10.857 1.00 0.00 C ATOM 249 CG GLU A 14 -13.266 -8.633 -10.362 1.00 0.00 C ATOM 250 CD GLU A 14 -14.550 -8.980 -11.082 1.00 0.00 C ATOM 251 OE1 GLU A 14 -14.484 -9.551 -12.190 1.00 0.00 O ATOM 252 OE2 GLU A 14 -15.645 -8.685 -10.565 1.00 0.00 O ATOM 0 HA GLU A 14 -14.504 -6.246 -10.908 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.508 -7.398 -11.935 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.670 -7.211 -10.407 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.547 -9.441 -10.497 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.462 -8.556 -9.292 1.00 0.00 H new ATOM 259 N ILE A 15 -12.378 -5.256 -8.563 1.00 0.00 N ATOM 260 CA ILE A 15 -12.169 -4.921 -7.143 1.00 0.00 C ATOM 261 C ILE A 15 -13.248 -3.974 -6.615 1.00 0.00 C ATOM 262 O ILE A 15 -13.604 -4.011 -5.442 1.00 0.00 O ATOM 263 CB ILE A 15 -10.732 -4.313 -6.898 1.00 0.00 C ATOM 264 CG1 ILE A 15 -10.477 -3.026 -7.715 1.00 0.00 C ATOM 265 CG2 ILE A 15 -9.645 -5.330 -7.187 1.00 0.00 C ATOM 266 CD1 ILE A 15 -10.908 -1.742 -7.047 1.00 0.00 C ATOM 0 H ILE A 15 -11.571 -5.040 -9.148 1.00 0.00 H new ATOM 0 HA ILE A 15 -12.244 -5.855 -6.586 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.698 -4.044 -5.842 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.412 -2.961 -7.937 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.997 -3.112 -8.669 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.669 -4.880 -7.009 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.771 -6.193 -6.534 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.713 -5.649 -8.227 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.686 -0.899 -7.701 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.980 -1.776 -6.850 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.370 -1.623 -6.107 1.00 0.00 H new ATOM 278 N LYS A 16 -13.796 -3.170 -7.501 1.00 0.00 N ATOM 279 CA LYS A 16 -14.800 -2.200 -7.140 1.00 0.00 C ATOM 280 C LYS A 16 -16.136 -2.840 -6.823 1.00 0.00 C ATOM 281 O LYS A 16 -16.936 -2.273 -6.080 1.00 0.00 O ATOM 282 CB LYS A 16 -14.869 -1.082 -8.177 1.00 0.00 C ATOM 283 CG LYS A 16 -13.706 -0.127 -8.012 1.00 0.00 C ATOM 284 CD LYS A 16 -13.624 0.951 -9.061 1.00 0.00 C ATOM 285 CE LYS A 16 -12.481 1.900 -8.709 1.00 0.00 C ATOM 286 NZ LYS A 16 -12.241 2.917 -9.747 1.00 0.00 N ATOM 0 H LYS A 16 -13.556 -3.173 -8.492 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.500 -1.729 -6.204 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -14.857 -1.508 -9.180 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.809 -0.540 -8.073 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.776 0.344 -7.031 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -12.779 -0.699 -8.025 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.457 0.509 -10.043 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -14.565 1.498 -9.113 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.706 2.397 -7.765 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.570 1.322 -8.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.455 3.533 -9.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.999 2.448 -10.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.099 3.490 -9.877 1.00 0.00 H new ATOM 300 N LYS A 17 -16.340 -4.029 -7.334 1.00 0.00 N ATOM 301 CA LYS A 17 -17.511 -4.825 -7.020 1.00 0.00 C ATOM 302 C LYS A 17 -17.152 -5.814 -5.919 1.00 0.00 C ATOM 303 O LYS A 17 -17.867 -5.950 -4.928 1.00 0.00 O ATOM 304 CB LYS A 17 -17.985 -5.599 -8.258 1.00 0.00 C ATOM 305 CG LYS A 17 -18.533 -4.746 -9.390 1.00 0.00 C ATOM 306 CD LYS A 17 -19.846 -4.080 -9.009 1.00 0.00 C ATOM 307 CE LYS A 17 -20.437 -3.310 -10.182 1.00 0.00 C ATOM 308 NZ LYS A 17 -21.732 -2.692 -9.833 1.00 0.00 N ATOM 0 H LYS A 17 -15.696 -4.479 -7.985 1.00 0.00 H new ATOM 0 HA LYS A 17 -18.313 -4.164 -6.692 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -17.150 -6.186 -8.640 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -18.757 -6.304 -7.951 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -17.802 -3.983 -9.657 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -18.683 -5.367 -10.273 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -20.556 -4.836 -8.673 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -19.683 -3.402 -8.171 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -19.738 -2.536 -10.498 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -20.572 -3.983 -11.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -22.104 -2.176 -10.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -22.407 -3.433 -9.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -21.599 -2.031 -9.042 1.00 0.00 H new ATOM 322 N LYS A 18 -15.998 -6.447 -6.086 1.00 0.00 N ATOM 323 CA LYS A 18 -15.478 -7.500 -5.208 1.00 0.00 C ATOM 324 C LYS A 18 -15.304 -7.007 -3.779 1.00 0.00 C ATOM 325 O LYS A 18 -15.749 -7.656 -2.827 1.00 0.00 O ATOM 326 CB LYS A 18 -14.131 -8.000 -5.786 1.00 0.00 C ATOM 327 CG LYS A 18 -13.405 -9.088 -4.996 1.00 0.00 C ATOM 328 CD LYS A 18 -12.149 -9.540 -5.748 1.00 0.00 C ATOM 329 CE LYS A 18 -11.315 -10.541 -4.950 1.00 0.00 C ATOM 330 NZ LYS A 18 -10.117 -10.991 -5.703 1.00 0.00 N ATOM 0 H LYS A 18 -15.372 -6.237 -6.863 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.195 -8.320 -5.171 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.312 -8.375 -6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.462 -7.144 -5.879 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.132 -8.711 -4.011 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.069 -9.938 -4.839 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.440 -9.990 -6.697 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.537 -8.669 -5.983 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.003 -10.085 -4.010 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.930 -11.405 -4.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.597 -11.694 -5.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.413 -11.419 -6.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.500 -10.176 -5.893 1.00 0.00 H new ATOM 344 N PHE A 19 -14.699 -5.856 -3.637 1.00 0.00 N ATOM 345 CA PHE A 19 -14.413 -5.318 -2.313 1.00 0.00 C ATOM 346 C PHE A 19 -15.286 -4.119 -2.010 1.00 0.00 C ATOM 347 O PHE A 19 -15.190 -3.542 -0.929 1.00 0.00 O ATOM 348 CB PHE A 19 -12.950 -4.882 -2.214 1.00 0.00 C ATOM 349 CG PHE A 19 -11.945 -5.943 -2.543 1.00 0.00 C ATOM 350 CD1 PHE A 19 -11.879 -7.107 -1.813 1.00 0.00 C ATOM 351 CD2 PHE A 19 -11.052 -5.758 -3.580 1.00 0.00 C ATOM 352 CE1 PHE A 19 -10.946 -8.074 -2.113 1.00 0.00 C ATOM 353 CE2 PHE A 19 -10.116 -6.720 -3.885 1.00 0.00 C ATOM 354 CZ PHE A 19 -10.062 -7.880 -3.150 1.00 0.00 C ATOM 0 H PHE A 19 -14.392 -5.268 -4.412 1.00 0.00 H new ATOM 0 HA PHE A 19 -14.618 -6.110 -1.593 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.794 -4.036 -2.883 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -12.761 -4.527 -1.201 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -12.567 -7.264 -0.995 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.088 -4.847 -4.159 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -10.908 -8.985 -1.534 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.425 -6.564 -4.700 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.328 -8.637 -3.385 1.00 0.00 H new ATOM 364 N LYS A 20 -16.144 -3.767 -2.960 1.00 0.00 N ATOM 365 CA LYS A 20 -16.962 -2.555 -2.884 1.00 0.00 C ATOM 366 C LYS A 20 -16.110 -1.319 -2.709 1.00 0.00 C ATOM 367 O LYS A 20 -15.960 -0.769 -1.622 1.00 0.00 O ATOM 368 CB LYS A 20 -18.096 -2.638 -1.852 1.00 0.00 C ATOM 369 CG LYS A 20 -19.190 -3.604 -2.242 1.00 0.00 C ATOM 370 CD LYS A 20 -19.871 -3.155 -3.525 1.00 0.00 C ATOM 371 CE LYS A 20 -20.943 -4.132 -3.963 1.00 0.00 C ATOM 372 NZ LYS A 20 -22.009 -4.288 -2.958 1.00 0.00 N ATOM 0 H LYS A 20 -16.295 -4.313 -3.808 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.465 -2.471 -3.848 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.681 -2.939 -0.890 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -18.528 -1.646 -1.717 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.771 -4.601 -2.377 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -19.924 -3.673 -1.439 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -20.315 -2.171 -3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -19.127 -3.053 -4.315 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -21.380 -3.790 -4.901 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -20.487 -5.103 -4.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -22.804 -4.814 -3.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -21.639 -4.810 -2.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -22.337 -3.350 -2.652 1.00 0.00 H new ATOM 386 N LEU A 21 -15.498 -0.941 -3.785 1.00 0.00 N ATOM 387 CA LEU A 21 -14.585 0.186 -3.822 1.00 0.00 C ATOM 388 C LEU A 21 -15.007 1.151 -4.897 1.00 0.00 C ATOM 389 O LEU A 21 -14.242 2.005 -5.326 1.00 0.00 O ATOM 390 CB LEU A 21 -13.185 -0.335 -4.090 1.00 0.00 C ATOM 391 CG LEU A 21 -12.624 -1.234 -3.003 1.00 0.00 C ATOM 392 CD1 LEU A 21 -11.373 -1.908 -3.480 1.00 0.00 C ATOM 393 CD2 LEU A 21 -12.343 -0.422 -1.750 1.00 0.00 C ATOM 0 H LEU A 21 -15.612 -1.407 -4.685 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.599 0.714 -2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.191 -0.885 -5.031 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -12.515 0.515 -4.222 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.361 -2.001 -2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.982 -2.549 -2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.597 -2.511 -4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.629 -1.154 -3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.941 -1.075 -0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.618 0.360 -1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.268 0.033 -1.396 1.00 0.00 H new ATOM 405 N THR A 22 -16.229 1.000 -5.331 1.00 0.00 N ATOM 406 CA THR A 22 -16.775 1.813 -6.366 1.00 0.00 C ATOM 407 C THR A 22 -17.055 3.241 -5.839 1.00 0.00 C ATOM 408 O THR A 22 -17.988 3.482 -5.059 1.00 0.00 O ATOM 409 CB THR A 22 -18.032 1.125 -7.009 1.00 0.00 C ATOM 410 OG1 THR A 22 -18.575 1.896 -8.091 1.00 0.00 O ATOM 411 CG2 THR A 22 -19.126 0.813 -5.979 1.00 0.00 C ATOM 0 H THR A 22 -16.875 0.299 -4.967 1.00 0.00 H new ATOM 0 HA THR A 22 -16.045 1.918 -7.169 1.00 0.00 H new ATOM 0 HB THR A 22 -17.675 0.177 -7.410 1.00 0.00 H new ATOM 0 HG1 THR A 22 -19.354 1.433 -8.464 1.00 0.00 H new ATOM 0 HG21 THR A 22 -19.971 0.339 -6.478 1.00 0.00 H new ATOM 0 HG22 THR A 22 -18.729 0.140 -5.219 1.00 0.00 H new ATOM 0 HG23 THR A 22 -19.456 1.739 -5.507 1.00 0.00 H new ATOM 419 N GLY A 23 -16.179 4.141 -6.188 1.00 0.00 N ATOM 420 CA GLY A 23 -16.297 5.506 -5.785 1.00 0.00 C ATOM 421 C GLY A 23 -14.928 6.108 -5.603 1.00 0.00 C ATOM 422 O GLY A 23 -13.959 5.623 -6.213 1.00 0.00 O ATOM 0 H GLY A 23 -15.360 3.943 -6.763 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.854 6.068 -6.534 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.859 5.572 -4.854 1.00 0.00 H new ATOM 426 N PRO A 24 -14.800 7.144 -4.786 1.00 0.00 N ATOM 427 CA PRO A 24 -13.542 7.787 -4.525 1.00 0.00 C ATOM 428 C PRO A 24 -12.859 7.208 -3.286 1.00 0.00 C ATOM 429 O PRO A 24 -13.413 7.227 -2.173 1.00 0.00 O ATOM 430 CB PRO A 24 -13.942 9.247 -4.280 1.00 0.00 C ATOM 431 CG PRO A 24 -15.410 9.225 -3.938 1.00 0.00 C ATOM 432 CD PRO A 24 -15.883 7.797 -4.053 1.00 0.00 C ATOM 0 HA PRO A 24 -12.830 7.657 -5.340 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.359 9.680 -3.467 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.757 9.856 -5.165 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -15.574 9.603 -2.929 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -15.971 9.870 -4.615 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -16.037 7.344 -3.074 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -16.830 7.728 -4.588 1.00 0.00 H new ATOM 440 N ILE A 25 -11.680 6.696 -3.465 1.00 0.00 N ATOM 441 CA ILE A 25 -10.934 6.138 -2.371 1.00 0.00 C ATOM 442 C ILE A 25 -9.716 6.991 -2.066 1.00 0.00 C ATOM 443 O ILE A 25 -9.116 7.570 -2.970 1.00 0.00 O ATOM 444 CB ILE A 25 -10.595 4.606 -2.557 1.00 0.00 C ATOM 445 CG1 ILE A 25 -9.945 4.269 -3.927 1.00 0.00 C ATOM 446 CG2 ILE A 25 -11.838 3.753 -2.343 1.00 0.00 C ATOM 447 CD1 ILE A 25 -8.505 4.706 -4.089 1.00 0.00 C ATOM 0 H ILE A 25 -11.207 6.651 -4.367 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.579 6.163 -1.493 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.849 4.372 -1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.999 3.191 -4.080 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -10.538 4.733 -4.715 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.585 2.701 -2.475 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.218 3.911 -1.334 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.602 4.036 -3.067 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.148 4.423 -5.079 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.438 5.788 -3.975 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.890 4.222 -3.330 1.00 0.00 H new ATOM 459 N GLN A 26 -9.397 7.133 -0.814 1.00 0.00 N ATOM 460 CA GLN A 26 -8.267 7.943 -0.401 1.00 0.00 C ATOM 461 C GLN A 26 -7.442 7.184 0.588 1.00 0.00 C ATOM 462 O GLN A 26 -7.995 6.498 1.456 1.00 0.00 O ATOM 463 CB GLN A 26 -8.725 9.260 0.212 1.00 0.00 C ATOM 464 CG GLN A 26 -9.412 10.193 -0.761 1.00 0.00 C ATOM 465 CD GLN A 26 -9.822 11.484 -0.113 1.00 0.00 C ATOM 466 OE1 GLN A 26 -10.934 11.616 0.393 1.00 0.00 O ATOM 467 NE2 GLN A 26 -8.927 12.425 -0.083 1.00 0.00 N ATOM 0 H GLN A 26 -9.905 6.696 -0.045 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.669 8.171 -1.283 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.406 9.047 1.036 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.860 9.770 0.637 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.742 10.403 -1.595 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.292 9.700 -1.175 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.015 12.276 -0.515 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.136 13.313 0.373 1.00 0.00 H new ATOM 476 N VAL A 27 -6.134 7.270 0.450 1.00 0.00 N ATOM 477 CA VAL A 27 -5.231 6.552 1.335 1.00 0.00 C ATOM 478 C VAL A 27 -5.413 6.958 2.777 1.00 0.00 C ATOM 479 O VAL A 27 -5.544 8.146 3.100 1.00 0.00 O ATOM 480 CB VAL A 27 -3.732 6.708 0.964 1.00 0.00 C ATOM 481 CG1 VAL A 27 -3.420 5.964 -0.290 1.00 0.00 C ATOM 482 CG2 VAL A 27 -3.332 8.171 0.818 1.00 0.00 C ATOM 0 H VAL A 27 -5.670 7.829 -0.266 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.503 5.505 1.204 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.152 6.284 1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.364 6.086 -0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.640 4.906 -0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.027 6.355 -1.106 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.275 8.235 0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.928 8.634 0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.506 8.692 1.760 1.00 0.00 H new ATOM 492 N ILE A 28 -5.469 5.981 3.625 1.00 0.00 N ATOM 493 CA ILE A 28 -5.542 6.228 5.034 1.00 0.00 C ATOM 494 C ILE A 28 -4.127 6.144 5.579 1.00 0.00 C ATOM 495 O ILE A 28 -3.745 6.864 6.490 1.00 0.00 O ATOM 496 CB ILE A 28 -6.469 5.212 5.749 1.00 0.00 C ATOM 497 CG1 ILE A 28 -7.865 5.246 5.101 1.00 0.00 C ATOM 498 CG2 ILE A 28 -6.568 5.546 7.239 1.00 0.00 C ATOM 499 CD1 ILE A 28 -8.860 4.267 5.687 1.00 0.00 C ATOM 0 H ILE A 28 -5.466 4.995 3.365 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.971 7.213 5.216 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.051 4.210 5.647 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -8.269 6.254 5.195 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -7.761 5.043 4.035 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.222 4.826 7.731 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.576 5.502 7.689 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.977 6.549 7.361 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.814 4.363 5.168 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.483 3.251 5.569 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.000 4.481 6.747 1.00 0.00 H new ATOM 511 N HIS A 29 -3.354 5.253 4.989 1.00 0.00 N ATOM 512 CA HIS A 29 -1.938 5.081 5.287 1.00 0.00 C ATOM 513 C HIS A 29 -1.306 4.482 4.081 1.00 0.00 C ATOM 514 O HIS A 29 -2.006 4.105 3.136 1.00 0.00 O ATOM 515 CB HIS A 29 -1.636 4.120 6.482 1.00 0.00 C ATOM 516 CG HIS A 29 -2.062 4.532 7.845 1.00 0.00 C ATOM 517 ND1 HIS A 29 -1.213 5.105 8.747 1.00 0.00 N ATOM 518 CD2 HIS A 29 -3.245 4.406 8.471 1.00 0.00 C ATOM 519 CE1 HIS A 29 -1.859 5.326 9.868 1.00 0.00 C ATOM 520 NE2 HIS A 29 -3.095 4.914 9.727 1.00 0.00 N ATOM 0 H HIS A 29 -3.697 4.613 4.273 1.00 0.00 H new ATOM 0 HA HIS A 29 -1.552 6.063 5.561 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -2.105 3.161 6.263 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.560 3.950 6.508 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -0.232 5.326 8.577 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -4.147 3.981 8.056 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.442 5.773 10.758 1.00 0.00 H new ATOM 529 N LEU A 30 -0.023 4.372 4.107 1.00 0.00 N ATOM 530 CA LEU A 30 0.677 3.676 3.089 1.00 0.00 C ATOM 531 C LEU A 30 1.282 2.437 3.683 1.00 0.00 C ATOM 532 O LEU A 30 1.707 2.424 4.850 1.00 0.00 O ATOM 533 CB LEU A 30 1.733 4.541 2.377 1.00 0.00 C ATOM 534 CG LEU A 30 1.249 5.411 1.191 1.00 0.00 C ATOM 535 CD1 LEU A 30 0.199 6.431 1.596 1.00 0.00 C ATOM 536 CD2 LEU A 30 2.426 6.095 0.532 1.00 0.00 C ATOM 0 H LEU A 30 0.570 4.764 4.838 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.035 3.404 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.185 5.200 3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.521 3.882 2.013 1.00 0.00 H new ATOM 0 HG LEU A 30 0.772 4.739 0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.101 7.011 0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.670 5.916 2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.613 7.100 2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.074 6.704 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.931 6.731 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.123 5.343 0.162 1.00 0.00 H new ATOM 548 N ALA A 31 1.223 1.393 2.944 1.00 0.00 N ATOM 549 CA ALA A 31 1.787 0.153 3.337 1.00 0.00 C ATOM 550 C ALA A 31 2.963 -0.170 2.430 1.00 0.00 C ATOM 551 O ALA A 31 3.259 0.553 1.482 1.00 0.00 O ATOM 552 CB ALA A 31 0.717 -0.925 3.278 1.00 0.00 C ATOM 0 H ALA A 31 0.772 1.374 2.029 1.00 0.00 H new ATOM 0 HA ALA A 31 2.155 0.206 4.362 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.146 -1.881 3.579 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.099 -0.665 3.952 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.335 -1.004 2.260 1.00 0.00 H new ATOM 558 N LYS A 32 3.662 -1.170 2.759 1.00 0.00 N ATOM 559 CA LYS A 32 4.735 -1.646 1.997 1.00 0.00 C ATOM 560 C LYS A 32 4.817 -3.089 2.315 1.00 0.00 C ATOM 561 O LYS A 32 5.176 -3.482 3.430 1.00 0.00 O ATOM 562 CB LYS A 32 6.056 -0.846 2.194 1.00 0.00 C ATOM 563 CG LYS A 32 6.677 -0.845 3.584 1.00 0.00 C ATOM 564 CD LYS A 32 7.833 0.156 3.671 1.00 0.00 C ATOM 565 CE LYS A 32 8.907 -0.088 2.606 1.00 0.00 C ATOM 566 NZ LYS A 32 9.580 -1.394 2.757 1.00 0.00 N ATOM 0 H LYS A 32 3.496 -1.708 3.609 1.00 0.00 H new ATOM 0 HA LYS A 32 4.570 -1.500 0.930 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.795 -1.240 1.496 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.868 0.189 1.909 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.918 -0.594 4.325 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.039 -1.845 3.825 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.442 1.167 3.562 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.287 0.095 4.660 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.451 -0.032 1.618 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.651 0.707 2.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.296 -1.504 2.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.041 -1.441 3.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.878 -2.157 2.679 1.00 0.00 H new ATOM 580 N ALA A 33 4.339 -3.851 1.422 1.00 0.00 N ATOM 581 CA ALA A 33 4.249 -5.259 1.598 1.00 0.00 C ATOM 582 C ALA A 33 5.618 -5.886 1.600 1.00 0.00 C ATOM 583 O ALA A 33 6.504 -5.480 0.833 1.00 0.00 O ATOM 584 CB ALA A 33 3.324 -5.853 0.554 1.00 0.00 C ATOM 0 H ALA A 33 3.988 -3.519 0.524 1.00 0.00 H new ATOM 0 HA ALA A 33 3.813 -5.478 2.573 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.261 -6.932 0.696 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.331 -5.415 0.656 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.714 -5.640 -0.441 1.00 0.00 H new ATOM 590 N CYS A 34 5.823 -6.797 2.493 1.00 0.00 N ATOM 591 CA CYS A 34 7.082 -7.458 2.601 1.00 0.00 C ATOM 592 C CYS A 34 6.906 -8.881 2.514 1.00 0.00 C ATOM 593 O CYS A 34 5.869 -9.410 2.921 1.00 0.00 O ATOM 594 CB CYS A 34 7.796 -7.224 3.944 1.00 0.00 C ATOM 595 SG CYS A 34 9.380 -8.223 4.112 1.00 0.00 S ATOM 0 H CYS A 34 5.123 -7.104 3.168 1.00 0.00 H new ATOM 0 HA CYS A 34 7.679 -7.044 1.789 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.028 -6.164 4.047 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.120 -7.483 4.759 1.00 0.00 H new ATOM 600 N CYS A 35 7.932 -9.495 1.997 1.00 0.00 N ATOM 601 CA CYS A 35 8.160 -10.872 2.104 1.00 0.00 C ATOM 602 C CYS A 35 7.183 -11.669 1.214 1.00 0.00 C ATOM 603 O CYS A 35 6.245 -11.111 0.642 1.00 0.00 O ATOM 604 CB CYS A 35 8.040 -11.251 3.614 1.00 0.00 C ATOM 605 SG CYS A 35 8.898 -10.115 4.896 1.00 0.00 S ATOM 0 H CYS A 35 8.655 -9.008 1.468 1.00 0.00 H new ATOM 0 HA CYS A 35 9.157 -11.128 1.745 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.980 -11.296 3.864 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.440 -12.257 3.739 1.00 0.00 H new ATOM 610 N ASP A 36 7.491 -12.916 0.991 1.00 0.00 N ATOM 611 CA ASP A 36 6.567 -13.822 0.314 1.00 0.00 C ATOM 612 C ASP A 36 5.368 -14.025 1.218 1.00 0.00 C ATOM 613 O ASP A 36 5.472 -14.668 2.273 1.00 0.00 O ATOM 614 CB ASP A 36 7.236 -15.166 0.007 1.00 0.00 C ATOM 615 CG ASP A 36 6.364 -16.087 -0.821 1.00 0.00 C ATOM 616 OD1 ASP A 36 6.179 -15.815 -2.015 1.00 0.00 O ATOM 617 OD2 ASP A 36 5.863 -17.113 -0.304 1.00 0.00 O ATOM 0 H ASP A 36 8.376 -13.343 1.265 1.00 0.00 H new ATOM 0 HA ASP A 36 6.259 -13.389 -0.638 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.171 -14.987 -0.523 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.490 -15.661 0.944 1.00 0.00 H new ATOM 622 N VAL A 37 4.279 -13.429 0.844 1.00 0.00 N ATOM 623 CA VAL A 37 3.079 -13.398 1.652 1.00 0.00 C ATOM 624 C VAL A 37 2.081 -14.425 1.230 1.00 0.00 C ATOM 625 O VAL A 37 2.158 -14.960 0.111 1.00 0.00 O ATOM 626 CB VAL A 37 2.382 -12.033 1.660 1.00 0.00 C ATOM 627 CG1 VAL A 37 3.322 -10.951 2.119 1.00 0.00 C ATOM 628 CG2 VAL A 37 1.771 -11.715 0.310 1.00 0.00 C ATOM 0 H VAL A 37 4.188 -12.939 -0.046 1.00 0.00 H new ATOM 0 HA VAL A 37 3.433 -13.616 2.659 1.00 0.00 H new ATOM 0 HB VAL A 37 1.562 -12.079 2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.803 -9.993 2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.667 -11.173 3.129 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.178 -10.903 1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.285 -10.740 0.351 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.553 -11.699 -0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.035 -12.477 0.055 1.00 0.00 H new ATOM 638 N LYS A 38 1.217 -14.761 2.174 1.00 0.00 N ATOM 639 CA LYS A 38 0.076 -15.624 1.958 1.00 0.00 C ATOM 640 C LYS A 38 -0.621 -15.268 0.630 1.00 0.00 C ATOM 641 O LYS A 38 -0.610 -16.075 -0.311 1.00 0.00 O ATOM 642 CB LYS A 38 -0.872 -15.502 3.155 1.00 0.00 C ATOM 643 CG LYS A 38 -2.154 -16.259 3.000 1.00 0.00 C ATOM 644 CD LYS A 38 -2.984 -16.238 4.262 1.00 0.00 C ATOM 645 CE LYS A 38 -4.193 -17.144 4.152 1.00 0.00 C ATOM 646 NZ LYS A 38 -4.996 -16.853 2.955 1.00 0.00 N ATOM 0 H LYS A 38 1.295 -14.430 3.136 1.00 0.00 H new ATOM 0 HA LYS A 38 0.399 -16.662 1.879 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.359 -15.857 4.049 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.102 -14.449 3.317 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.731 -15.830 2.180 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.934 -17.292 2.729 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.370 -16.551 5.107 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.311 -15.218 4.466 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.865 -18.183 4.124 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.813 -17.029 5.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.998 -17.046 3.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.881 -15.853 2.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.677 -17.454 2.169 1.00 0.00 H new ATOM 660 N GLY A 39 -1.198 -14.082 0.550 1.00 0.00 N ATOM 661 CA GLY A 39 -1.705 -13.608 -0.729 1.00 0.00 C ATOM 662 C GLY A 39 -2.885 -14.392 -1.259 1.00 0.00 C ATOM 663 O GLY A 39 -2.873 -14.803 -2.422 1.00 0.00 O ATOM 0 H GLY A 39 -1.326 -13.442 1.334 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.995 -12.562 -0.627 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.900 -13.645 -1.462 1.00 0.00 H new ATOM 667 N GLY A 40 -3.821 -14.698 -0.390 1.00 0.00 N ATOM 668 CA GLY A 40 -5.028 -15.465 -0.756 1.00 0.00 C ATOM 669 C GLY A 40 -5.887 -14.838 -1.887 1.00 0.00 C ATOM 670 O GLY A 40 -5.522 -13.819 -2.485 1.00 0.00 O ATOM 0 H GLY A 40 -3.783 -14.431 0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.725 -16.466 -1.063 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.650 -15.579 0.131 1.00 0.00 H new ATOM 674 N LYS A 41 -7.048 -15.433 -2.132 1.00 0.00 N ATOM 675 CA LYS A 41 -7.936 -15.067 -3.252 1.00 0.00 C ATOM 676 C LYS A 41 -8.506 -13.638 -3.145 1.00 0.00 C ATOM 677 O LYS A 41 -8.661 -12.940 -4.159 1.00 0.00 O ATOM 678 CB LYS A 41 -9.062 -16.108 -3.380 1.00 0.00 C ATOM 679 CG LYS A 41 -10.050 -15.863 -4.515 1.00 0.00 C ATOM 680 CD LYS A 41 -11.061 -17.015 -4.693 1.00 0.00 C ATOM 681 CE LYS A 41 -12.100 -17.159 -3.551 1.00 0.00 C ATOM 682 NZ LYS A 41 -11.524 -17.574 -2.242 1.00 0.00 N ATOM 0 H LYS A 41 -7.412 -16.193 -1.558 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.329 -15.069 -4.157 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.612 -17.091 -3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.614 -16.139 -2.441 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.592 -14.937 -4.324 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.499 -15.723 -5.445 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.594 -16.868 -5.632 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.510 -17.951 -4.782 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.614 -16.206 -3.422 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.852 -17.889 -3.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.191 -18.204 -1.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.627 -18.076 -2.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.351 -16.732 -1.656 1.00 0.00 H new ATOM 696 N ASN A 42 -8.835 -13.214 -1.945 1.00 0.00 N ATOM 697 CA ASN A 42 -9.352 -11.856 -1.737 1.00 0.00 C ATOM 698 C ASN A 42 -8.258 -10.966 -1.176 1.00 0.00 C ATOM 699 O ASN A 42 -8.461 -9.781 -0.913 1.00 0.00 O ATOM 700 CB ASN A 42 -10.578 -11.837 -0.803 1.00 0.00 C ATOM 701 CG ASN A 42 -10.271 -12.202 0.645 1.00 0.00 C ATOM 702 OD1 ASN A 42 -9.355 -12.969 0.943 1.00 0.00 O ATOM 703 ND2 ASN A 42 -11.050 -11.672 1.541 1.00 0.00 N ATOM 0 H ASN A 42 -8.759 -13.776 -1.097 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.675 -11.476 -2.706 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -11.023 -10.842 -0.828 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -11.325 -12.530 -1.189 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.912 -11.888 2.528 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.799 -11.041 1.257 1.00 0.00 H new ATOM 710 N GLU A 43 -7.104 -11.537 -1.029 1.00 0.00 N ATOM 711 CA GLU A 43 -5.966 -10.846 -0.520 1.00 0.00 C ATOM 712 C GLU A 43 -5.190 -10.282 -1.673 1.00 0.00 C ATOM 713 O GLU A 43 -5.410 -10.679 -2.831 1.00 0.00 O ATOM 714 CB GLU A 43 -5.098 -11.795 0.293 1.00 0.00 C ATOM 715 CG GLU A 43 -5.705 -12.222 1.619 1.00 0.00 C ATOM 716 CD GLU A 43 -4.977 -13.387 2.234 1.00 0.00 C ATOM 717 OE1 GLU A 43 -3.742 -13.438 2.181 1.00 0.00 O ATOM 718 OE2 GLU A 43 -5.649 -14.298 2.764 1.00 0.00 O ATOM 0 H GLU A 43 -6.925 -12.513 -1.264 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.286 -10.035 0.135 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.897 -12.685 -0.304 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.138 -11.316 0.485 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.688 -11.380 2.311 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.751 -12.489 1.468 1.00 0.00 H new ATOM 725 N LEU A 44 -4.328 -9.357 -1.398 1.00 0.00 N ATOM 726 CA LEU A 44 -3.529 -8.783 -2.426 1.00 0.00 C ATOM 727 C LEU A 44 -2.351 -9.653 -2.626 1.00 0.00 C ATOM 728 O LEU A 44 -1.616 -9.978 -1.687 1.00 0.00 O ATOM 729 CB LEU A 44 -3.042 -7.401 -2.064 1.00 0.00 C ATOM 730 CG LEU A 44 -3.192 -6.295 -3.112 1.00 0.00 C ATOM 731 CD1 LEU A 44 -2.757 -4.963 -2.526 1.00 0.00 C ATOM 732 CD2 LEU A 44 -2.392 -6.615 -4.366 1.00 0.00 C ATOM 0 H LEU A 44 -4.160 -8.983 -0.464 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.137 -8.700 -3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.570 -7.084 -1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.986 -7.475 -1.804 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.242 -6.231 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.867 -4.182 -3.278 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.378 -4.725 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.714 -5.025 -2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.518 -5.812 -5.092 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.337 -6.711 -4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.748 -7.552 -4.795 1.00 0.00 H new ATOM 744 N SER A 45 -2.159 -10.014 -3.810 1.00 0.00 N ATOM 745 CA SER A 45 -1.040 -10.805 -4.162 1.00 0.00 C ATOM 746 C SER A 45 0.105 -9.862 -4.518 1.00 0.00 C ATOM 747 O SER A 45 0.390 -9.577 -5.690 1.00 0.00 O ATOM 748 CB SER A 45 -1.373 -11.810 -5.284 1.00 0.00 C ATOM 749 OG SER A 45 -0.299 -12.710 -5.536 1.00 0.00 O ATOM 0 H SER A 45 -2.773 -9.775 -4.589 1.00 0.00 H new ATOM 0 HA SER A 45 -0.737 -11.427 -3.320 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.263 -12.377 -5.010 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.611 -11.266 -6.198 1.00 0.00 H new ATOM 0 HG SER A 45 -0.552 -13.330 -6.252 1.00 0.00 H new ATOM 755 N PHE A 46 0.643 -9.279 -3.487 1.00 0.00 N ATOM 756 CA PHE A 46 1.740 -8.367 -3.574 1.00 0.00 C ATOM 757 C PHE A 46 3.039 -9.073 -3.283 1.00 0.00 C ATOM 758 O PHE A 46 3.065 -10.297 -3.056 1.00 0.00 O ATOM 759 CB PHE A 46 1.521 -7.150 -2.653 1.00 0.00 C ATOM 760 CG PHE A 46 1.002 -7.473 -1.276 1.00 0.00 C ATOM 761 CD1 PHE A 46 1.638 -8.369 -0.459 1.00 0.00 C ATOM 762 CD2 PHE A 46 -0.138 -6.876 -0.813 1.00 0.00 C ATOM 763 CE1 PHE A 46 1.145 -8.654 0.787 1.00 0.00 C ATOM 764 CE2 PHE A 46 -0.635 -7.170 0.434 1.00 0.00 C ATOM 765 CZ PHE A 46 0.016 -8.064 1.232 1.00 0.00 C ATOM 0 H PHE A 46 0.318 -9.432 -2.532 1.00 0.00 H new ATOM 0 HA PHE A 46 1.797 -7.987 -4.594 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.466 -6.616 -2.552 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.821 -6.469 -3.137 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.539 -8.857 -0.801 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.656 -6.163 -1.437 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.665 -9.358 1.420 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.540 -6.694 0.782 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.369 -8.298 2.213 1.00 0.00 H new ATOM 775 N LYS A 47 4.082 -8.325 -3.272 1.00 0.00 N ATOM 776 CA LYS A 47 5.399 -8.836 -3.121 1.00 0.00 C ATOM 777 C LYS A 47 6.134 -8.050 -2.068 1.00 0.00 C ATOM 778 O LYS A 47 5.580 -7.155 -1.438 1.00 0.00 O ATOM 779 CB LYS A 47 6.143 -8.712 -4.446 1.00 0.00 C ATOM 780 CG LYS A 47 5.581 -9.534 -5.582 1.00 0.00 C ATOM 781 CD LYS A 47 6.237 -9.122 -6.889 1.00 0.00 C ATOM 782 CE LYS A 47 7.751 -9.265 -6.834 1.00 0.00 C ATOM 783 NZ LYS A 47 8.396 -8.609 -7.980 1.00 0.00 N ATOM 0 H LYS A 47 4.044 -7.310 -3.371 1.00 0.00 H new ATOM 0 HA LYS A 47 5.346 -9.883 -2.821 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.146 -7.664 -4.745 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.182 -9.002 -4.289 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.754 -10.594 -5.396 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.502 -9.393 -5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.844 -9.734 -7.701 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.978 -8.088 -7.115 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.125 -8.831 -5.907 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.017 -10.322 -6.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.427 -8.725 -7.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.057 -9.041 -8.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.161 -7.596 -7.977 1.00 0.00 H new ATOM 797 N GLN A 48 7.376 -8.346 -1.955 1.00 0.00 N ATOM 798 CA GLN A 48 8.272 -7.767 -1.015 1.00 0.00 C ATOM 799 C GLN A 48 8.852 -6.533 -1.640 1.00 0.00 C ATOM 800 O GLN A 48 9.520 -6.600 -2.668 1.00 0.00 O ATOM 801 CB GLN A 48 9.384 -8.769 -0.662 1.00 0.00 C ATOM 802 CG GLN A 48 10.450 -8.220 0.280 1.00 0.00 C ATOM 803 CD GLN A 48 11.478 -9.263 0.655 1.00 0.00 C ATOM 804 OE1 GLN A 48 11.766 -10.176 -0.116 1.00 0.00 O ATOM 805 NE2 GLN A 48 12.039 -9.131 1.820 1.00 0.00 N ATOM 0 H GLN A 48 7.825 -9.041 -2.551 1.00 0.00 H new ATOM 0 HA GLN A 48 7.751 -7.510 -0.093 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.932 -9.649 -0.206 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.865 -9.099 -1.583 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.950 -7.375 -0.194 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.973 -7.842 1.184 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.771 -8.359 2.430 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.747 -9.800 2.124 1.00 0.00 H new ATOM 814 N GLY A 49 8.537 -5.421 -1.068 1.00 0.00 N ATOM 815 CA GLY A 49 9.015 -4.167 -1.576 1.00 0.00 C ATOM 816 C GLY A 49 7.932 -3.478 -2.352 1.00 0.00 C ATOM 817 O GLY A 49 8.117 -2.367 -2.861 1.00 0.00 O ATOM 0 H GLY A 49 7.945 -5.348 -0.240 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.342 -3.533 -0.752 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.882 -4.332 -2.215 1.00 0.00 H new ATOM 821 N GLU A 50 6.792 -4.149 -2.451 1.00 0.00 N ATOM 822 CA GLU A 50 5.658 -3.610 -3.136 1.00 0.00 C ATOM 823 C GLU A 50 5.018 -2.499 -2.354 1.00 0.00 C ATOM 824 O GLU A 50 4.613 -2.658 -1.184 1.00 0.00 O ATOM 825 CB GLU A 50 4.656 -4.691 -3.539 1.00 0.00 C ATOM 826 CG GLU A 50 5.048 -5.417 -4.816 1.00 0.00 C ATOM 827 CD GLU A 50 5.171 -4.475 -6.003 1.00 0.00 C ATOM 828 OE1 GLU A 50 4.173 -4.246 -6.706 1.00 0.00 O ATOM 829 OE2 GLU A 50 6.270 -3.939 -6.246 1.00 0.00 O ATOM 0 H GLU A 50 6.642 -5.077 -2.056 1.00 0.00 H new ATOM 0 HA GLU A 50 6.023 -3.175 -4.066 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.565 -5.415 -2.729 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.674 -4.237 -3.672 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.998 -5.930 -4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.305 -6.183 -5.038 1.00 0.00 H new ATOM 836 N GLN A 51 4.899 -1.392 -3.011 1.00 0.00 N ATOM 837 CA GLN A 51 4.400 -0.212 -2.436 1.00 0.00 C ATOM 838 C GLN A 51 2.955 -0.156 -2.688 1.00 0.00 C ATOM 839 O GLN A 51 2.469 0.222 -3.753 1.00 0.00 O ATOM 840 CB GLN A 51 5.094 1.024 -3.003 1.00 0.00 C ATOM 841 CG GLN A 51 6.540 1.161 -2.590 1.00 0.00 C ATOM 842 CD GLN A 51 7.213 2.344 -3.238 1.00 0.00 C ATOM 843 OE1 GLN A 51 7.180 3.454 -2.715 1.00 0.00 O ATOM 844 NE2 GLN A 51 7.848 2.117 -4.358 1.00 0.00 N ATOM 0 H GLN A 51 5.158 -1.294 -3.993 1.00 0.00 H new ATOM 0 HA GLN A 51 4.596 -0.220 -1.364 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.039 0.992 -4.091 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.550 1.912 -2.683 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.597 1.262 -1.506 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.078 0.251 -2.854 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.852 1.180 -4.761 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.339 2.877 -4.829 1.00 0.00 H new ATOM 853 N ILE A 52 2.303 -0.587 -1.731 1.00 0.00 N ATOM 854 CA ILE A 52 0.884 -0.585 -1.677 1.00 0.00 C ATOM 855 C ILE A 52 0.384 0.464 -0.731 1.00 0.00 C ATOM 856 O ILE A 52 1.092 0.943 0.122 1.00 0.00 O ATOM 857 CB ILE A 52 0.352 -1.938 -1.253 1.00 0.00 C ATOM 858 CG1 ILE A 52 0.873 -2.303 0.094 1.00 0.00 C ATOM 859 CG2 ILE A 52 0.740 -2.986 -2.244 1.00 0.00 C ATOM 860 CD1 ILE A 52 0.412 -3.627 0.517 1.00 0.00 C ATOM 0 H ILE A 52 2.739 -0.981 -0.898 1.00 0.00 H new ATOM 0 HA ILE A 52 0.523 -0.361 -2.681 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.735 -1.878 -1.209 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.963 -2.286 0.079 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.553 -1.557 0.822 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.350 -3.952 -1.924 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.327 -2.734 -3.221 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.827 -3.038 -2.312 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.815 -3.854 1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.677 -3.637 0.558 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.755 -4.377 -0.196 1.00 0.00 H new ATOM 872 N GLU A 53 -0.795 0.838 -0.904 1.00 0.00 N ATOM 873 CA GLU A 53 -1.379 1.831 -0.084 1.00 0.00 C ATOM 874 C GLU A 53 -2.761 1.395 0.333 1.00 0.00 C ATOM 875 O GLU A 53 -3.538 0.919 -0.494 1.00 0.00 O ATOM 876 CB GLU A 53 -1.337 3.164 -0.825 1.00 0.00 C ATOM 877 CG GLU A 53 -1.668 3.016 -2.309 1.00 0.00 C ATOM 878 CD GLU A 53 -1.472 4.266 -3.116 1.00 0.00 C ATOM 879 OE1 GLU A 53 -0.329 4.533 -3.560 1.00 0.00 O ATOM 880 OE2 GLU A 53 -2.453 4.987 -3.350 1.00 0.00 O ATOM 0 H GLU A 53 -1.412 0.469 -1.628 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.821 1.969 0.842 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.044 3.855 -0.365 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.346 3.605 -0.719 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.047 2.225 -2.730 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.705 2.694 -2.407 1.00 0.00 H new ATOM 887 N ILE A 54 -3.041 1.472 1.621 1.00 0.00 N ATOM 888 CA ILE A 54 -4.348 1.032 2.094 1.00 0.00 C ATOM 889 C ILE A 54 -5.337 2.171 2.177 1.00 0.00 C ATOM 890 O ILE A 54 -5.032 3.285 2.658 1.00 0.00 O ATOM 891 CB ILE A 54 -4.371 0.188 3.429 1.00 0.00 C ATOM 892 CG1 ILE A 54 -4.073 1.017 4.677 1.00 0.00 C ATOM 893 CG2 ILE A 54 -3.398 -0.972 3.349 1.00 0.00 C ATOM 894 CD1 ILE A 54 -2.670 1.491 4.775 1.00 0.00 C ATOM 0 H ILE A 54 -2.408 1.822 2.340 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.654 0.330 1.319 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.390 -0.185 3.526 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.738 1.881 4.692 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.305 0.420 5.559 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.431 -1.539 4.279 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.674 -1.621 2.518 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.389 -0.590 3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.545 2.071 5.689 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.997 0.634 4.794 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.436 2.117 3.914 1.00 0.00 H new ATOM 906 N ILE A 55 -6.512 1.885 1.714 1.00 0.00 N ATOM 907 CA ILE A 55 -7.591 2.838 1.648 1.00 0.00 C ATOM 908 C ILE A 55 -8.774 2.377 2.506 1.00 0.00 C ATOM 909 O ILE A 55 -9.844 2.990 2.502 1.00 0.00 O ATOM 910 CB ILE A 55 -8.048 3.158 0.168 1.00 0.00 C ATOM 911 CG1 ILE A 55 -8.264 1.890 -0.696 1.00 0.00 C ATOM 912 CG2 ILE A 55 -7.045 4.073 -0.520 1.00 0.00 C ATOM 913 CD1 ILE A 55 -6.971 1.258 -1.230 1.00 0.00 C ATOM 0 H ILE A 55 -6.761 0.961 1.361 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.207 3.774 2.054 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.012 3.658 0.256 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.799 1.148 -0.103 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.905 2.145 -1.540 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.379 4.280 -1.537 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.966 5.009 0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.070 3.587 -0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.215 0.377 -1.823 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.443 1.980 -1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.336 0.967 -0.393 1.00 0.00 H new ATOM 925 N ARG A 56 -8.556 1.311 3.263 1.00 0.00 N ATOM 926 CA ARG A 56 -9.563 0.770 4.167 1.00 0.00 C ATOM 927 C ARG A 56 -8.892 0.119 5.374 1.00 0.00 C ATOM 928 O ARG A 56 -8.050 -0.776 5.214 1.00 0.00 O ATOM 929 CB ARG A 56 -10.444 -0.253 3.443 1.00 0.00 C ATOM 930 CG ARG A 56 -11.463 -0.951 4.337 1.00 0.00 C ATOM 931 CD ARG A 56 -12.297 -1.951 3.555 1.00 0.00 C ATOM 932 NE ARG A 56 -13.081 -1.292 2.514 1.00 0.00 N ATOM 933 CZ ARG A 56 -13.795 -1.898 1.570 1.00 0.00 C ATOM 934 NH1 ARG A 56 -13.817 -3.228 1.461 1.00 0.00 N ATOM 935 NH2 ARG A 56 -14.497 -1.157 0.727 1.00 0.00 N ATOM 0 H ARG A 56 -7.676 0.796 3.268 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.193 1.590 4.510 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.973 0.250 2.633 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.803 -1.007 2.985 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.946 -1.463 5.149 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.117 -0.208 4.794 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.644 -2.697 3.103 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.964 -2.481 4.235 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.081 -0.272 2.511 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.279 -3.802 2.110 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.372 -3.671 0.729 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.484 -0.140 0.809 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.051 -1.603 -0.004 1.00 0.00 H new ATOM 949 N ILE A 57 -9.259 0.572 6.556 1.00 0.00 N ATOM 950 CA ILE A 57 -8.736 0.052 7.809 1.00 0.00 C ATOM 951 C ILE A 57 -9.863 -0.722 8.481 1.00 0.00 C ATOM 952 O ILE A 57 -10.765 -0.120 9.060 1.00 0.00 O ATOM 953 CB ILE A 57 -8.294 1.223 8.757 1.00 0.00 C ATOM 954 CG1 ILE A 57 -7.249 2.125 8.087 1.00 0.00 C ATOM 955 CG2 ILE A 57 -7.778 0.710 10.097 1.00 0.00 C ATOM 956 CD1 ILE A 57 -5.981 1.421 7.669 1.00 0.00 C ATOM 0 H ILE A 57 -9.939 1.323 6.678 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.869 -0.579 7.615 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.185 1.820 8.952 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.698 2.587 7.208 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.991 2.931 8.774 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.483 1.554 10.721 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -8.565 0.146 10.598 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.916 0.063 9.932 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.303 2.138 7.205 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.502 0.983 8.545 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.221 0.634 6.954 1.00 0.00 H new ATOM 968 N THR A 58 -9.859 -2.022 8.364 1.00 0.00 N ATOM 969 CA THR A 58 -10.934 -2.800 8.917 1.00 0.00 C ATOM 970 C THR A 58 -10.485 -3.937 9.817 1.00 0.00 C ATOM 971 O THR A 58 -9.504 -4.628 9.542 1.00 0.00 O ATOM 972 CB THR A 58 -11.813 -3.369 7.793 1.00 0.00 C ATOM 973 OG1 THR A 58 -10.980 -3.789 6.681 1.00 0.00 O ATOM 974 CG2 THR A 58 -12.829 -2.346 7.332 1.00 0.00 C ATOM 0 H THR A 58 -9.131 -2.561 7.895 1.00 0.00 H new ATOM 0 HA THR A 58 -11.498 -2.108 9.543 1.00 0.00 H new ATOM 0 HB THR A 58 -12.355 -4.232 8.180 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.409 -4.534 6.963 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.439 -2.772 6.536 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.469 -2.066 8.169 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.312 -1.462 6.959 1.00 0.00 H new ATOM 1037 N GLY A 63 -10.531 -9.704 8.871 1.00 0.00 N ATOM 1038 CA GLY A 63 -9.272 -9.654 9.562 1.00 0.00 C ATOM 1039 C GLY A 63 -8.182 -9.104 8.706 1.00 0.00 C ATOM 1040 O GLY A 63 -7.001 -9.339 8.964 1.00 0.00 O ATOM 0 HA2 GLY A 63 -9.374 -9.040 10.457 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.001 -10.656 9.893 1.00 0.00 H new ATOM 1044 N LYS A 64 -8.561 -8.379 7.686 1.00 0.00 N ATOM 1045 CA LYS A 64 -7.615 -7.832 6.756 1.00 0.00 C ATOM 1046 C LYS A 64 -7.939 -6.374 6.490 1.00 0.00 C ATOM 1047 O LYS A 64 -9.063 -5.914 6.753 1.00 0.00 O ATOM 1048 CB LYS A 64 -7.678 -8.583 5.423 1.00 0.00 C ATOM 1049 CG LYS A 64 -7.506 -10.089 5.480 1.00 0.00 C ATOM 1050 CD LYS A 64 -6.140 -10.508 5.982 1.00 0.00 C ATOM 1051 CE LYS A 64 -5.916 -12.005 5.801 1.00 0.00 C ATOM 1052 NZ LYS A 64 -6.938 -12.833 6.478 1.00 0.00 N ATOM 0 H LYS A 64 -9.534 -8.153 7.479 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.620 -7.929 7.189 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.639 -8.368 4.957 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.908 -8.177 4.767 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.272 -10.513 6.130 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.665 -10.506 4.485 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.368 -9.956 5.446 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.043 -10.249 7.036 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.914 -12.240 4.737 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.931 -12.268 6.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.659 -13.834 6.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.020 -12.540 7.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.855 -12.709 6.004 1.00 0.00 H new ATOM 1066 N TRP A 65 -6.966 -5.670 5.987 1.00 0.00 N ATOM 1067 CA TRP A 65 -7.126 -4.303 5.535 1.00 0.00 C ATOM 1068 C TRP A 65 -7.201 -4.306 4.041 1.00 0.00 C ATOM 1069 O TRP A 65 -6.792 -5.263 3.425 1.00 0.00 O ATOM 1070 CB TRP A 65 -5.955 -3.448 5.980 1.00 0.00 C ATOM 1071 CG TRP A 65 -6.025 -3.035 7.406 1.00 0.00 C ATOM 1072 CD1 TRP A 65 -6.995 -3.342 8.301 1.00 0.00 C ATOM 1073 CD2 TRP A 65 -5.097 -2.221 8.084 1.00 0.00 C ATOM 1074 NE1 TRP A 65 -6.735 -2.753 9.501 1.00 0.00 N ATOM 1075 CE2 TRP A 65 -5.560 -2.058 9.397 1.00 0.00 C ATOM 1076 CE3 TRP A 65 -3.915 -1.612 7.706 1.00 0.00 C ATOM 1077 CZ2 TRP A 65 -4.873 -1.302 10.336 1.00 0.00 C ATOM 1078 CZ3 TRP A 65 -3.234 -0.866 8.625 1.00 0.00 C ATOM 1079 CH2 TRP A 65 -3.711 -0.710 9.931 1.00 0.00 C ATOM 0 H TRP A 65 -6.018 -6.030 5.874 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.036 -3.885 5.965 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -5.030 -4.001 5.816 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -5.909 -2.557 5.355 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.852 -3.965 8.092 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.317 -2.819 10.336 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.536 -1.724 6.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -5.242 -1.187 11.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -2.309 -0.387 8.338 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -3.150 -0.110 10.632 1.00 0.00 H new ATOM 1090 N LEU A 66 -7.708 -3.269 3.454 1.00 0.00 N ATOM 1091 CA LEU A 66 -7.807 -3.238 2.020 1.00 0.00 C ATOM 1092 C LEU A 66 -6.769 -2.301 1.452 1.00 0.00 C ATOM 1093 O LEU A 66 -6.789 -1.076 1.702 1.00 0.00 O ATOM 1094 CB LEU A 66 -9.261 -2.924 1.554 1.00 0.00 C ATOM 1095 CG LEU A 66 -9.569 -2.870 0.026 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -9.131 -1.564 -0.593 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -8.900 -4.017 -0.705 1.00 0.00 C ATOM 0 H LEU A 66 -8.057 -2.439 3.933 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.589 -4.229 1.621 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.918 -3.674 1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.543 -1.962 1.981 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.651 -2.956 -0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.365 -1.570 -1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.655 -0.739 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.057 -1.440 -0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.131 -3.955 -1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.821 -3.958 -0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.266 -4.964 -0.309 1.00 0.00 H new ATOM 1109 N GLY A 67 -5.870 -2.878 0.716 1.00 0.00 N ATOM 1110 CA GLY A 67 -4.818 -2.156 0.102 1.00 0.00 C ATOM 1111 C GLY A 67 -4.915 -2.231 -1.379 1.00 0.00 C ATOM 1112 O GLY A 67 -5.817 -2.862 -1.914 1.00 0.00 O ATOM 0 H GLY A 67 -5.853 -3.880 0.527 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.853 -1.114 0.420 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.858 -2.557 0.428 1.00 0.00 H new ATOM 1116 N ARG A 68 -4.012 -1.597 -2.026 1.00 0.00 N ATOM 1117 CA ARG A 68 -3.906 -1.592 -3.449 1.00 0.00 C ATOM 1118 C ARG A 68 -2.466 -1.373 -3.766 1.00 0.00 C ATOM 1119 O ARG A 68 -1.787 -0.670 -3.021 1.00 0.00 O ATOM 1120 CB ARG A 68 -4.751 -0.477 -4.094 1.00 0.00 C ATOM 1121 CG ARG A 68 -4.256 0.945 -3.851 1.00 0.00 C ATOM 1122 CD ARG A 68 -5.118 1.948 -4.574 1.00 0.00 C ATOM 1123 NE ARG A 68 -4.563 3.293 -4.541 1.00 0.00 N ATOM 1124 CZ ARG A 68 -4.943 4.306 -5.326 1.00 0.00 C ATOM 1125 NH1 ARG A 68 -5.959 4.171 -6.187 1.00 0.00 N ATOM 1126 NH2 ARG A 68 -4.312 5.454 -5.220 1.00 0.00 N ATOM 0 H ARG A 68 -3.291 -1.041 -1.566 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.279 -2.535 -3.847 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.790 -0.651 -5.169 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.772 -0.557 -3.721 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.262 1.158 -2.782 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.224 1.037 -4.188 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.240 1.635 -5.611 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.111 1.958 -4.125 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.823 3.478 -3.863 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.458 3.284 -6.252 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.234 4.955 -6.778 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.550 5.557 -4.549 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.584 6.242 -5.808 1.00 0.00 H new ATOM 1140 N THR A 69 -1.985 -1.981 -4.796 1.00 0.00 N ATOM 1141 CA THR A 69 -0.640 -1.755 -5.220 1.00 0.00 C ATOM 1142 C THR A 69 -0.542 -0.396 -5.893 1.00 0.00 C ATOM 1143 O THR A 69 -1.574 0.223 -6.213 1.00 0.00 O ATOM 1144 CB THR A 69 -0.196 -2.846 -6.201 1.00 0.00 C ATOM 1145 OG1 THR A 69 -1.175 -2.986 -7.250 1.00 0.00 O ATOM 1146 CG2 THR A 69 -0.005 -4.176 -5.491 1.00 0.00 C ATOM 0 H THR A 69 -2.507 -2.646 -5.367 1.00 0.00 H new ATOM 0 HA THR A 69 0.012 -1.782 -4.347 1.00 0.00 H new ATOM 0 HB THR A 69 0.761 -2.550 -6.632 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.887 -3.683 -7.876 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.310 -4.931 -6.211 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.758 -4.070 -4.719 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.945 -4.482 -5.032 1.00 0.00 H new ATOM 1154 N ALA A 70 0.671 0.048 -6.156 1.00 0.00 N ATOM 1155 CA ALA A 70 0.892 1.309 -6.841 1.00 0.00 C ATOM 1156 C ALA A 70 0.416 1.185 -8.288 1.00 0.00 C ATOM 1157 O ALA A 70 0.165 2.178 -8.973 1.00 0.00 O ATOM 1158 CB ALA A 70 2.366 1.687 -6.786 1.00 0.00 C ATOM 0 H ALA A 70 1.525 -0.449 -5.904 1.00 0.00 H new ATOM 0 HA ALA A 70 0.325 2.098 -6.347 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.518 2.634 -7.303 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.677 1.787 -5.746 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.959 0.910 -7.269 1.00 0.00 H new ATOM 1164 N ARG A 71 0.276 -0.056 -8.717 1.00 0.00 N ATOM 1165 CA ARG A 71 -0.189 -0.406 -10.043 1.00 0.00 C ATOM 1166 C ARG A 71 -1.710 -0.266 -10.136 1.00 0.00 C ATOM 1167 O ARG A 71 -2.258 -0.086 -11.226 1.00 0.00 O ATOM 1168 CB ARG A 71 0.191 -1.843 -10.349 1.00 0.00 C ATOM 1169 CG ARG A 71 1.670 -2.130 -10.229 1.00 0.00 C ATOM 1170 CD ARG A 71 1.954 -3.585 -10.494 1.00 0.00 C ATOM 1171 NE ARG A 71 1.604 -3.982 -11.864 1.00 0.00 N ATOM 1172 CZ ARG A 71 0.686 -4.899 -12.186 1.00 0.00 C ATOM 1173 NH1 ARG A 71 -0.083 -5.413 -11.241 1.00 0.00 N ATOM 1174 NH2 ARG A 71 0.520 -5.270 -13.453 1.00 0.00 N ATOM 0 H ARG A 71 0.488 -0.868 -8.137 1.00 0.00 H new ATOM 0 HA ARG A 71 0.276 0.269 -10.762 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.352 -2.503 -9.672 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.134 -2.086 -11.361 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.224 -1.512 -10.936 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.017 -1.863 -9.231 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.011 -3.784 -10.320 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.394 -4.197 -9.787 1.00 0.00 H new ATOM 0 HE ARG A 71 2.099 -3.523 -12.628 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.026 -5.109 -10.273 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.785 -6.113 -11.480 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.095 -4.854 -14.186 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.182 -5.970 -13.692 1.00 0.00 H new ATOM 1188 N GLY A 72 -2.381 -0.351 -8.998 1.00 0.00 N ATOM 1189 CA GLY A 72 -3.825 -0.235 -8.984 1.00 0.00 C ATOM 1190 C GLY A 72 -4.534 -1.570 -8.823 1.00 0.00 C ATOM 1191 O GLY A 72 -5.658 -1.742 -9.285 1.00 0.00 O ATOM 0 H GLY A 72 -1.953 -0.498 -8.084 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.122 0.426 -8.170 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.154 0.234 -9.911 1.00 0.00 H new ATOM 1195 N SER A 73 -3.893 -2.520 -8.202 1.00 0.00 N ATOM 1196 CA SER A 73 -4.518 -3.782 -7.936 1.00 0.00 C ATOM 1197 C SER A 73 -4.790 -3.877 -6.447 1.00 0.00 C ATOM 1198 O SER A 73 -3.874 -3.893 -5.634 1.00 0.00 O ATOM 1199 CB SER A 73 -3.654 -4.932 -8.459 1.00 0.00 C ATOM 1200 OG SER A 73 -3.453 -4.788 -9.872 1.00 0.00 O ATOM 0 H SER A 73 -2.932 -2.442 -7.869 1.00 0.00 H new ATOM 0 HA SER A 73 -5.469 -3.859 -8.462 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.693 -4.939 -7.945 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.136 -5.886 -8.247 1.00 0.00 H new ATOM 0 HG SER A 73 -2.898 -5.526 -10.200 1.00 0.00 H new ATOM 1206 N TYR A 74 -6.047 -3.852 -6.113 1.00 0.00 N ATOM 1207 CA TYR A 74 -6.523 -3.815 -4.737 1.00 0.00 C ATOM 1208 C TYR A 74 -6.651 -5.222 -4.174 1.00 0.00 C ATOM 1209 O TYR A 74 -6.931 -6.154 -4.915 1.00 0.00 O ATOM 1210 CB TYR A 74 -7.891 -3.096 -4.676 1.00 0.00 C ATOM 1211 CG TYR A 74 -7.903 -1.648 -5.191 1.00 0.00 C ATOM 1212 CD1 TYR A 74 -7.568 -1.344 -6.512 1.00 0.00 C ATOM 1213 CD2 TYR A 74 -8.286 -0.596 -4.369 1.00 0.00 C ATOM 1214 CE1 TYR A 74 -7.605 -0.057 -6.989 1.00 0.00 C ATOM 1215 CE2 TYR A 74 -8.325 0.706 -4.844 1.00 0.00 C ATOM 1216 CZ TYR A 74 -7.982 0.964 -6.159 1.00 0.00 C ATOM 1217 OH TYR A 74 -8.007 2.253 -6.641 1.00 0.00 O ATOM 0 H TYR A 74 -6.801 -3.857 -6.800 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.799 -3.267 -4.134 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.612 -3.674 -5.254 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.237 -3.098 -3.642 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.272 -2.142 -7.176 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.558 -0.795 -3.343 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.338 0.149 -8.015 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.621 1.514 -4.191 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.869 2.667 -6.424 1.00 0.00 H new ATOM 1227 N GLY A 75 -6.431 -5.365 -2.886 1.00 0.00 N ATOM 1228 CA GLY A 75 -6.527 -6.658 -2.245 1.00 0.00 C ATOM 1229 C GLY A 75 -6.454 -6.551 -0.746 1.00 0.00 C ATOM 1230 O GLY A 75 -5.902 -5.572 -0.221 1.00 0.00 O ATOM 0 H GLY A 75 -6.183 -4.599 -2.260 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.465 -7.135 -2.529 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.722 -7.300 -2.602 1.00 0.00 H new ATOM 1234 N TYR A 76 -7.033 -7.515 -0.044 1.00 0.00 N ATOM 1235 CA TYR A 76 -6.945 -7.554 1.392 1.00 0.00 C ATOM 1236 C TYR A 76 -5.547 -7.903 1.856 1.00 0.00 C ATOM 1237 O TYR A 76 -4.839 -8.685 1.236 1.00 0.00 O ATOM 1238 CB TYR A 76 -8.011 -8.451 2.027 1.00 0.00 C ATOM 1239 CG TYR A 76 -9.361 -7.771 2.142 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -9.533 -6.714 3.023 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -10.443 -8.164 1.385 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -10.737 -6.068 3.149 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -11.661 -7.519 1.503 1.00 0.00 C ATOM 1244 CZ TYR A 76 -11.798 -6.469 2.389 1.00 0.00 C ATOM 1245 OH TYR A 76 -13.008 -5.819 2.507 1.00 0.00 O ATOM 0 H TYR A 76 -7.569 -8.279 -0.456 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.157 -6.545 1.745 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.116 -9.359 1.433 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.678 -8.757 3.019 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.697 -6.391 3.626 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.339 -8.985 0.691 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.845 -5.248 3.844 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.502 -7.836 0.904 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.658 -6.225 1.897 1.00 0.00 H new ATOM 1255 N ILE A 77 -5.148 -7.290 2.907 1.00 0.00 N ATOM 1256 CA ILE A 77 -3.822 -7.407 3.401 1.00 0.00 C ATOM 1257 C ILE A 77 -3.835 -7.841 4.842 1.00 0.00 C ATOM 1258 O ILE A 77 -4.652 -7.345 5.630 1.00 0.00 O ATOM 1259 CB ILE A 77 -3.131 -6.019 3.370 1.00 0.00 C ATOM 1260 CG1 ILE A 77 -3.160 -5.409 1.993 1.00 0.00 C ATOM 1261 CG2 ILE A 77 -1.709 -6.151 3.805 1.00 0.00 C ATOM 1262 CD1 ILE A 77 -2.692 -3.994 1.952 1.00 0.00 C ATOM 0 H ILE A 77 -5.745 -6.678 3.463 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.298 -8.133 2.780 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.681 -5.367 4.049 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.538 -6.007 1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.178 -5.457 1.606 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.229 -5.173 3.781 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.674 -6.548 4.820 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.184 -6.829 3.132 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.742 -3.624 0.928 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.329 -3.382 2.590 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.663 -3.941 2.308 1.00 0.00 H new ATOM 1274 N LYS A 78 -2.962 -8.766 5.188 1.00 0.00 N ATOM 1275 CA LYS A 78 -2.713 -9.021 6.572 1.00 0.00 C ATOM 1276 C LYS A 78 -1.916 -7.834 7.056 1.00 0.00 C ATOM 1277 O LYS A 78 -0.960 -7.444 6.396 1.00 0.00 O ATOM 1278 CB LYS A 78 -1.829 -10.232 6.807 1.00 0.00 C ATOM 1279 CG LYS A 78 -2.333 -11.580 6.373 1.00 0.00 C ATOM 1280 CD LYS A 78 -1.396 -12.623 6.946 1.00 0.00 C ATOM 1281 CE LYS A 78 -1.786 -14.032 6.601 1.00 0.00 C ATOM 1282 NZ LYS A 78 -0.974 -15.000 7.371 1.00 0.00 N ATOM 0 H LYS A 78 -2.427 -9.339 4.535 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.666 -9.191 7.074 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.880 -10.054 6.301 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.616 -10.285 7.875 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.350 -11.742 6.729 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.362 -11.647 5.285 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.387 -12.434 6.580 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.367 -12.517 8.030 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.844 -14.185 6.815 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.649 -14.202 5.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.257 -15.968 7.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.033 -14.865 7.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.125 -14.848 8.389 1.00 0.00 H new ATOM 1296 N THR A 79 -2.231 -7.309 8.184 1.00 0.00 N ATOM 1297 CA THR A 79 -1.545 -6.134 8.701 1.00 0.00 C ATOM 1298 C THR A 79 -0.049 -6.424 9.019 1.00 0.00 C ATOM 1299 O THR A 79 0.749 -5.518 9.242 1.00 0.00 O ATOM 1300 CB THR A 79 -2.279 -5.631 9.942 1.00 0.00 C ATOM 1301 OG1 THR A 79 -2.316 -6.671 10.931 1.00 0.00 O ATOM 1302 CG2 THR A 79 -3.694 -5.272 9.576 1.00 0.00 C ATOM 0 H THR A 79 -2.969 -7.666 8.791 1.00 0.00 H new ATOM 0 HA THR A 79 -1.556 -5.362 7.932 1.00 0.00 H new ATOM 0 HB THR A 79 -1.759 -4.757 10.335 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.786 -6.348 11.728 1.00 0.00 H new ATOM 0 HG21 THR A 79 -4.219 -4.913 10.461 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.686 -4.490 8.817 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.203 -6.153 9.185 1.00 0.00 H new ATOM 1310 N THR A 80 0.296 -7.696 8.983 1.00 0.00 N ATOM 1311 CA THR A 80 1.621 -8.179 9.238 1.00 0.00 C ATOM 1312 C THR A 80 2.348 -8.436 7.905 1.00 0.00 C ATOM 1313 O THR A 80 3.571 -8.487 7.842 1.00 0.00 O ATOM 1314 CB THR A 80 1.540 -9.479 10.085 1.00 0.00 C ATOM 1315 OG1 THR A 80 2.834 -10.075 10.296 1.00 0.00 O ATOM 1316 CG2 THR A 80 0.610 -10.489 9.435 1.00 0.00 C ATOM 0 H THR A 80 -0.368 -8.440 8.767 1.00 0.00 H new ATOM 0 HA THR A 80 2.186 -7.432 9.796 1.00 0.00 H new ATOM 0 HB THR A 80 1.141 -9.194 11.059 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.736 -10.888 10.834 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.569 -11.391 10.045 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.389 -10.062 9.351 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.982 -10.740 8.442 1.00 0.00 H new ATOM 1324 N ALA A 81 1.581 -8.535 6.829 1.00 0.00 N ATOM 1325 CA ALA A 81 2.148 -8.784 5.503 1.00 0.00 C ATOM 1326 C ALA A 81 2.739 -7.493 4.961 1.00 0.00 C ATOM 1327 O ALA A 81 3.495 -7.488 3.990 1.00 0.00 O ATOM 1328 CB ALA A 81 1.090 -9.365 4.536 1.00 0.00 C ATOM 0 H ALA A 81 0.565 -8.447 6.844 1.00 0.00 H new ATOM 0 HA ALA A 81 2.938 -9.530 5.591 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.545 -9.538 3.561 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.713 -10.308 4.933 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.266 -8.659 4.432 1.00 0.00 H new ATOM 1334 N VAL A 82 2.407 -6.395 5.622 1.00 0.00 N ATOM 1335 CA VAL A 82 2.869 -5.082 5.217 1.00 0.00 C ATOM 1336 C VAL A 82 3.349 -4.288 6.383 1.00 0.00 C ATOM 1337 O VAL A 82 2.949 -4.534 7.526 1.00 0.00 O ATOM 1338 CB VAL A 82 1.768 -4.259 4.496 1.00 0.00 C ATOM 1339 CG1 VAL A 82 1.362 -4.963 3.269 1.00 0.00 C ATOM 1340 CG2 VAL A 82 0.543 -4.040 5.370 1.00 0.00 C ATOM 0 H VAL A 82 1.812 -6.391 6.451 1.00 0.00 H new ATOM 0 HA VAL A 82 3.689 -5.265 4.523 1.00 0.00 H new ATOM 0 HB VAL A 82 2.189 -3.281 4.263 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.589 -4.389 2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.224 -5.075 2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.972 -5.948 3.527 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.197 -3.459 4.820 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.116 -5.004 5.646 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.831 -3.499 6.272 1.00 0.00 H new ATOM 1350 N GLU A 83 4.210 -3.360 6.098 1.00 0.00 N ATOM 1351 CA GLU A 83 4.661 -2.414 7.059 1.00 0.00 C ATOM 1352 C GLU A 83 3.857 -1.140 6.835 1.00 0.00 C ATOM 1353 O GLU A 83 4.090 -0.400 5.868 1.00 0.00 O ATOM 1354 CB GLU A 83 6.149 -2.123 6.867 1.00 0.00 C ATOM 1355 CG GLU A 83 7.051 -3.344 6.942 1.00 0.00 C ATOM 1356 CD GLU A 83 7.046 -4.005 8.297 1.00 0.00 C ATOM 1357 OE1 GLU A 83 7.774 -3.549 9.198 1.00 0.00 O ATOM 1358 OE2 GLU A 83 6.350 -5.013 8.486 1.00 0.00 O ATOM 0 H GLU A 83 4.623 -3.241 5.173 1.00 0.00 H new ATOM 0 HA GLU A 83 4.524 -2.799 8.069 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.289 -1.644 5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.466 -1.407 7.625 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.735 -4.068 6.191 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.071 -3.050 6.692 1.00 0.00 H new ATOM 1365 N ILE A 84 2.873 -0.948 7.649 1.00 0.00 N ATOM 1366 CA ILE A 84 2.023 0.224 7.581 1.00 0.00 C ATOM 1367 C ILE A 84 2.732 1.388 8.243 1.00 0.00 C ATOM 1368 O ILE A 84 3.221 1.254 9.371 1.00 0.00 O ATOM 1369 CB ILE A 84 0.690 -0.058 8.316 1.00 0.00 C ATOM 1370 CG1 ILE A 84 -0.093 -1.159 7.608 1.00 0.00 C ATOM 1371 CG2 ILE A 84 -0.162 1.208 8.475 1.00 0.00 C ATOM 1372 CD1 ILE A 84 -0.649 -0.743 6.286 1.00 0.00 C ATOM 0 H ILE A 84 2.623 -1.599 8.393 1.00 0.00 H new ATOM 0 HA ILE A 84 1.813 0.466 6.539 1.00 0.00 H new ATOM 0 HB ILE A 84 0.940 -0.401 9.320 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.558 -2.021 7.464 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.911 -1.482 8.251 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.087 0.961 8.996 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.392 1.949 9.051 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.397 1.614 7.491 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.193 -1.577 5.841 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.327 0.099 6.425 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.166 -0.448 5.625 1.00 0.00 H new ATOM 1384 N ASP A 85 2.825 2.505 7.565 1.00 0.00 N ATOM 1385 CA ASP A 85 3.462 3.652 8.167 1.00 0.00 C ATOM 1386 C ASP A 85 2.449 4.724 8.470 1.00 0.00 C ATOM 1387 O ASP A 85 1.398 4.849 7.805 1.00 0.00 O ATOM 1388 CB ASP A 85 4.605 4.238 7.323 1.00 0.00 C ATOM 1389 CG ASP A 85 4.146 5.046 6.127 1.00 0.00 C ATOM 1390 OD1 ASP A 85 3.938 4.470 5.043 1.00 0.00 O ATOM 1391 OD2 ASP A 85 4.026 6.279 6.249 1.00 0.00 O ATOM 0 H ASP A 85 2.477 2.645 6.617 1.00 0.00 H new ATOM 0 HA ASP A 85 3.910 3.291 9.093 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.223 4.872 7.959 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.238 3.422 6.974 1.00 0.00 H new