USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=14 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+ 137:sc= 1.11 (180deg=-0.313!) USER MOD Single : A 20 LYS NZ :NH3+ -156:sc= -0.106 (180deg=-0.697) USER MOD Single : A 22 THR OG1 : rot 41:sc= 0.117 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.566 X(o=-0.57,f=-0.48) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 149:sc= -0.447 (180deg=-1.75!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -2.16! K(o=-2.2!,f=-0.4) 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 X(o=0,f=-0.42) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 160:sc= 1.08 (180deg=0.854) USER MOD Single : A 69 THR OG1 : rot -160:sc= 0.461 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 90:sc= 1.06 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -118:sc=-0.00123 (180deg=-0.517) 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 -13.068 -6.332 -11.011 1.00 0.00 N ATOM 245 CA GLU A 14 -13.835 -7.121 -10.086 1.00 0.00 C ATOM 246 C GLU A 14 -13.673 -6.557 -8.661 1.00 0.00 C ATOM 247 O GLU A 14 -14.631 -6.520 -7.900 1.00 0.00 O ATOM 248 CB GLU A 14 -13.367 -8.592 -10.222 1.00 0.00 C ATOM 249 CG GLU A 14 -14.278 -9.694 -9.674 1.00 0.00 C ATOM 250 CD GLU A 14 -14.275 -9.834 -8.183 1.00 0.00 C ATOM 251 OE1 GLU A 14 -13.194 -10.018 -7.603 1.00 0.00 O ATOM 252 OE2 GLU A 14 -15.358 -9.804 -7.564 1.00 0.00 O ATOM 0 HA GLU A 14 -14.902 -7.082 -10.305 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.202 -8.792 -11.281 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.401 -8.681 -9.726 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -15.298 -9.498 -10.004 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.978 -10.645 -10.114 1.00 0.00 H new ATOM 259 N ILE A 15 -12.477 -6.014 -8.358 1.00 0.00 N ATOM 260 CA ILE A 15 -12.131 -5.497 -7.006 1.00 0.00 C ATOM 261 C ILE A 15 -13.121 -4.454 -6.484 1.00 0.00 C ATOM 262 O ILE A 15 -13.401 -4.398 -5.285 1.00 0.00 O ATOM 263 CB ILE A 15 -10.661 -4.930 -6.913 1.00 0.00 C ATOM 264 CG1 ILE A 15 -10.418 -3.750 -7.870 1.00 0.00 C ATOM 265 CG2 ILE A 15 -9.616 -6.011 -7.098 1.00 0.00 C ATOM 266 CD1 ILE A 15 -10.592 -2.390 -7.241 1.00 0.00 C ATOM 0 H ILE A 15 -11.722 -5.919 -9.037 1.00 0.00 H new ATOM 0 HA ILE A 15 -12.197 -6.375 -6.363 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.555 -4.544 -5.899 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.407 -3.825 -8.270 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -11.102 -3.836 -8.714 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.621 -5.572 -7.026 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.735 -6.769 -6.324 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.739 -6.472 -8.078 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.402 -1.617 -7.986 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.611 -2.290 -6.866 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -9.889 -2.278 -6.415 1.00 0.00 H new ATOM 278 N LYS A 16 -13.698 -3.683 -7.377 1.00 0.00 N ATOM 279 CA LYS A 16 -14.586 -2.615 -6.954 1.00 0.00 C ATOM 280 C LYS A 16 -15.928 -3.118 -6.469 1.00 0.00 C ATOM 281 O LYS A 16 -16.585 -2.465 -5.662 1.00 0.00 O ATOM 282 CB LYS A 16 -14.707 -1.508 -7.992 1.00 0.00 C ATOM 283 CG LYS A 16 -13.457 -0.655 -8.089 1.00 0.00 C ATOM 284 CD LYS A 16 -13.642 0.551 -8.984 1.00 0.00 C ATOM 285 CE LYS A 16 -14.685 1.511 -8.437 1.00 0.00 C ATOM 286 NZ LYS A 16 -14.808 2.710 -9.278 1.00 0.00 N ATOM 0 H LYS A 16 -13.574 -3.769 -8.386 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.113 -2.160 -6.084 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -14.916 -1.951 -8.966 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.557 -0.873 -7.742 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.171 -0.322 -7.091 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -12.636 -1.263 -8.470 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.691 1.072 -9.091 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.939 0.221 -9.980 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -15.649 1.007 -8.378 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -14.415 1.803 -7.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -15.528 3.344 -8.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.894 3.204 -9.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -15.090 2.432 -10.240 1.00 0.00 H new ATOM 300 N LYS A 17 -16.316 -4.280 -6.925 1.00 0.00 N ATOM 301 CA LYS A 17 -17.531 -4.903 -6.446 1.00 0.00 C ATOM 302 C LYS A 17 -17.164 -5.900 -5.358 1.00 0.00 C ATOM 303 O LYS A 17 -17.937 -6.169 -4.450 1.00 0.00 O ATOM 304 CB LYS A 17 -18.262 -5.620 -7.580 1.00 0.00 C ATOM 305 CG LYS A 17 -18.690 -4.718 -8.715 1.00 0.00 C ATOM 306 CD LYS A 17 -19.404 -5.500 -9.796 1.00 0.00 C ATOM 307 CE LYS A 17 -19.820 -4.602 -10.940 1.00 0.00 C ATOM 308 NZ LYS A 17 -20.497 -5.345 -12.015 1.00 0.00 N ATOM 0 H LYS A 17 -15.810 -4.818 -7.629 1.00 0.00 H new ATOM 0 HA LYS A 17 -18.197 -4.136 -6.051 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -17.614 -6.401 -7.977 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -19.144 -6.114 -7.172 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -19.347 -3.936 -8.334 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -17.816 -4.222 -9.138 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -18.751 -6.289 -10.169 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -20.283 -5.987 -9.375 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -20.485 -3.824 -10.565 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -18.940 -4.102 -11.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -20.763 -4.688 -12.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -19.855 -6.071 -12.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -21.352 -5.801 -11.637 1.00 0.00 H new ATOM 322 N LYS A 18 -15.959 -6.415 -5.470 1.00 0.00 N ATOM 323 CA LYS A 18 -15.378 -7.400 -4.567 1.00 0.00 C ATOM 324 C LYS A 18 -15.281 -6.840 -3.164 1.00 0.00 C ATOM 325 O LYS A 18 -15.746 -7.444 -2.206 1.00 0.00 O ATOM 326 CB LYS A 18 -13.973 -7.703 -5.071 1.00 0.00 C ATOM 327 CG LYS A 18 -13.238 -8.840 -4.415 1.00 0.00 C ATOM 328 CD LYS A 18 -11.842 -8.941 -5.014 1.00 0.00 C ATOM 329 CE LYS A 18 -11.257 -10.319 -4.849 1.00 0.00 C ATOM 330 NZ LYS A 18 -12.139 -11.324 -5.474 1.00 0.00 N ATOM 0 H LYS A 18 -15.325 -6.151 -6.224 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.999 -8.295 -4.542 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.035 -7.912 -6.139 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.371 -6.801 -4.957 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.175 -8.676 -3.339 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.780 -9.774 -4.564 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.883 -8.689 -6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.189 -8.210 -4.537 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.267 -10.359 -5.304 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.130 -10.544 -3.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.564 -12.010 -6.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.677 -11.821 -4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.799 -10.851 -6.124 1.00 0.00 H new ATOM 344 N PHE A 19 -14.681 -5.681 -3.063 1.00 0.00 N ATOM 345 CA PHE A 19 -14.444 -5.057 -1.776 1.00 0.00 C ATOM 346 C PHE A 19 -15.489 -4.007 -1.480 1.00 0.00 C ATOM 347 O PHE A 19 -15.538 -3.481 -0.364 1.00 0.00 O ATOM 348 CB PHE A 19 -13.066 -4.385 -1.763 1.00 0.00 C ATOM 349 CG PHE A 19 -11.923 -5.291 -2.121 1.00 0.00 C ATOM 350 CD1 PHE A 19 -11.647 -6.410 -1.369 1.00 0.00 C ATOM 351 CD2 PHE A 19 -11.132 -5.022 -3.219 1.00 0.00 C ATOM 352 CE1 PHE A 19 -10.603 -7.245 -1.703 1.00 0.00 C ATOM 353 CE2 PHE A 19 -10.088 -5.852 -3.557 1.00 0.00 C ATOM 354 CZ PHE A 19 -9.824 -6.965 -2.797 1.00 0.00 C ATOM 0 H PHE A 19 -14.343 -5.143 -3.861 1.00 0.00 H new ATOM 0 HA PHE A 19 -14.492 -5.838 -1.017 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -13.079 -3.546 -2.459 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -12.887 -3.972 -0.770 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -12.256 -6.637 -0.506 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.335 -4.149 -3.821 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -10.398 -8.120 -1.104 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.477 -5.629 -4.419 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.005 -7.618 -3.060 1.00 0.00 H new ATOM 364 N LYS A 20 -16.348 -3.746 -2.460 1.00 0.00 N ATOM 365 CA LYS A 20 -17.292 -2.635 -2.412 1.00 0.00 C ATOM 366 C LYS A 20 -16.501 -1.340 -2.320 1.00 0.00 C ATOM 367 O LYS A 20 -16.321 -0.741 -1.253 1.00 0.00 O ATOM 368 CB LYS A 20 -18.348 -2.785 -1.296 1.00 0.00 C ATOM 369 CG LYS A 20 -19.293 -1.607 -1.156 1.00 0.00 C ATOM 370 CD LYS A 20 -20.273 -1.833 -0.030 1.00 0.00 C ATOM 371 CE LYS A 20 -21.013 -0.564 0.327 1.00 0.00 C ATOM 372 NZ LYS A 20 -20.089 0.484 0.801 1.00 0.00 N ATOM 0 H LYS A 20 -16.409 -4.301 -3.313 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.882 -2.626 -3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -18.935 -3.683 -1.488 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -17.835 -2.936 -0.347 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.722 -0.698 -0.969 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -19.834 -1.457 -2.090 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -20.988 -2.603 -0.319 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -19.742 -2.204 0.847 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -21.559 -0.202 -0.544 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -21.751 -0.777 1.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -20.607 1.158 1.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.322 0.048 1.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.686 0.986 -0.015 1.00 0.00 H new ATOM 386 N LEU A 21 -15.960 -0.970 -3.439 1.00 0.00 N ATOM 387 CA LEU A 21 -15.056 0.134 -3.513 1.00 0.00 C ATOM 388 C LEU A 21 -15.644 1.237 -4.377 1.00 0.00 C ATOM 389 O LEU A 21 -14.943 2.135 -4.834 1.00 0.00 O ATOM 390 CB LEU A 21 -13.749 -0.362 -4.109 1.00 0.00 C ATOM 391 CG LEU A 21 -12.515 0.392 -3.688 1.00 0.00 C ATOM 392 CD1 LEU A 21 -12.282 0.172 -2.204 1.00 0.00 C ATOM 393 CD2 LEU A 21 -11.325 -0.061 -4.497 1.00 0.00 C ATOM 0 H LEU A 21 -16.135 -1.429 -4.333 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.881 0.543 -2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.622 -1.410 -3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.826 -0.319 -5.195 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.654 1.458 -3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.390 0.715 -1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.143 0.535 -1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.145 -0.892 -2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.440 0.492 -4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.162 -1.127 -4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.512 0.125 -5.555 1.00 0.00 H new ATOM 405 N THR A 22 -16.921 1.149 -4.607 1.00 0.00 N ATOM 406 CA THR A 22 -17.626 2.115 -5.385 1.00 0.00 C ATOM 407 C THR A 22 -17.847 3.386 -4.569 1.00 0.00 C ATOM 408 O THR A 22 -18.406 3.342 -3.462 1.00 0.00 O ATOM 409 CB THR A 22 -18.955 1.502 -5.838 1.00 0.00 C ATOM 410 OG1 THR A 22 -19.513 0.749 -4.731 1.00 0.00 O ATOM 411 CG2 THR A 22 -18.738 0.575 -7.026 1.00 0.00 C ATOM 0 H THR A 22 -17.507 0.393 -4.253 1.00 0.00 H new ATOM 0 HA THR A 22 -17.045 2.389 -6.265 1.00 0.00 H new ATOM 0 HB THR A 22 -19.637 2.296 -6.142 1.00 0.00 H new ATOM 0 HG1 THR A 22 -19.376 1.244 -3.897 1.00 0.00 H new ATOM 0 HG21 THR A 22 -19.693 0.149 -7.334 1.00 0.00 H new ATOM 0 HG22 THR A 22 -18.308 1.139 -7.854 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.057 -0.227 -6.742 1.00 0.00 H new ATOM 419 N GLY A 23 -17.379 4.483 -5.077 1.00 0.00 N ATOM 420 CA GLY A 23 -17.517 5.738 -4.397 1.00 0.00 C ATOM 421 C GLY A 23 -16.177 6.232 -3.923 1.00 0.00 C ATOM 422 O GLY A 23 -15.204 5.462 -3.953 1.00 0.00 O ATOM 0 H GLY A 23 -16.892 4.537 -5.971 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -17.966 6.473 -5.065 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -18.191 5.626 -3.548 1.00 0.00 H new ATOM 426 N PRO A 24 -16.085 7.498 -3.475 1.00 0.00 N ATOM 427 CA PRO A 24 -14.834 8.109 -3.001 1.00 0.00 C ATOM 428 C PRO A 24 -14.133 7.248 -1.946 1.00 0.00 C ATOM 429 O PRO A 24 -14.721 6.922 -0.906 1.00 0.00 O ATOM 430 CB PRO A 24 -15.291 9.445 -2.381 1.00 0.00 C ATOM 431 CG PRO A 24 -16.778 9.364 -2.300 1.00 0.00 C ATOM 432 CD PRO A 24 -17.203 8.444 -3.397 1.00 0.00 C ATOM 0 HA PRO A 24 -14.110 8.226 -3.808 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.852 9.589 -1.394 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -14.978 10.289 -2.995 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -17.095 8.985 -1.329 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.229 10.349 -2.421 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -18.142 7.943 -3.164 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -17.350 8.976 -4.337 1.00 0.00 H new ATOM 440 N ILE A 25 -12.904 6.860 -2.223 1.00 0.00 N ATOM 441 CA ILE A 25 -12.170 6.019 -1.304 1.00 0.00 C ATOM 442 C ILE A 25 -11.073 6.773 -0.557 1.00 0.00 C ATOM 443 O ILE A 25 -11.257 7.143 0.605 1.00 0.00 O ATOM 444 CB ILE A 25 -11.623 4.701 -1.944 1.00 0.00 C ATOM 445 CG1 ILE A 25 -10.800 4.962 -3.221 1.00 0.00 C ATOM 446 CG2 ILE A 25 -12.764 3.746 -2.235 1.00 0.00 C ATOM 447 CD1 ILE A 25 -9.929 3.805 -3.638 1.00 0.00 C ATOM 0 H ILE A 25 -12.397 7.112 -3.071 1.00 0.00 H new ATOM 0 HA ILE A 25 -12.913 5.711 -0.568 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.948 4.247 -1.218 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.482 5.202 -4.037 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -10.171 5.838 -3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.369 2.833 -2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -13.281 3.503 -1.307 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -13.463 4.215 -2.928 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.383 4.069 -4.544 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.221 3.577 -2.841 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.552 2.932 -3.831 1.00 0.00 H new ATOM 459 N GLN A 26 -9.972 7.027 -1.239 1.00 0.00 N ATOM 460 CA GLN A 26 -8.795 7.692 -0.710 1.00 0.00 C ATOM 461 C GLN A 26 -7.993 6.861 0.240 1.00 0.00 C ATOM 462 O GLN A 26 -8.513 6.105 1.072 1.00 0.00 O ATOM 463 CB GLN A 26 -9.060 9.099 -0.203 1.00 0.00 C ATOM 464 CG GLN A 26 -9.660 9.968 -1.267 1.00 0.00 C ATOM 465 CD GLN A 26 -9.449 11.426 -1.009 1.00 0.00 C ATOM 466 OE1 GLN A 26 -10.273 12.088 -0.369 1.00 0.00 O ATOM 467 NE2 GLN A 26 -8.354 11.942 -1.494 1.00 0.00 N ATOM 0 H GLN A 26 -9.869 6.764 -2.219 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.150 7.818 -1.579 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.732 9.056 0.654 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.127 9.542 0.145 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.224 9.707 -2.232 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.729 9.766 -1.335 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.702 11.357 -2.016 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.149 12.931 -1.351 1.00 0.00 H new ATOM 476 N VAL A 27 -6.726 7.018 0.093 1.00 0.00 N ATOM 477 CA VAL A 27 -5.751 6.274 0.798 1.00 0.00 C ATOM 478 C VAL A 27 -5.557 6.876 2.187 1.00 0.00 C ATOM 479 O VAL A 27 -5.497 8.105 2.327 1.00 0.00 O ATOM 480 CB VAL A 27 -4.425 6.325 0.025 1.00 0.00 C ATOM 481 CG1 VAL A 27 -3.382 5.532 0.718 1.00 0.00 C ATOM 482 CG2 VAL A 27 -4.607 5.825 -1.390 1.00 0.00 C ATOM 0 H VAL A 27 -6.325 7.700 -0.551 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.078 5.239 0.897 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.101 7.365 -0.015 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.451 5.582 0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.222 5.936 1.718 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.705 4.494 0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.654 5.871 -1.917 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.961 4.794 -1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.337 6.449 -1.905 1.00 0.00 H new ATOM 492 N ILE A 28 -5.462 6.035 3.198 1.00 0.00 N ATOM 493 CA ILE A 28 -5.309 6.528 4.563 1.00 0.00 C ATOM 494 C ILE A 28 -3.827 6.535 5.015 1.00 0.00 C ATOM 495 O ILE A 28 -3.365 7.491 5.642 1.00 0.00 O ATOM 496 CB ILE A 28 -6.189 5.721 5.571 1.00 0.00 C ATOM 497 CG1 ILE A 28 -7.662 5.718 5.117 1.00 0.00 C ATOM 498 CG2 ILE A 28 -6.081 6.302 6.984 1.00 0.00 C ATOM 499 CD1 ILE A 28 -8.299 7.098 4.995 1.00 0.00 C ATOM 0 H ILE A 28 -5.487 5.019 3.108 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.659 7.560 4.561 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.820 4.696 5.591 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.728 5.217 4.151 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.244 5.127 5.824 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.703 5.721 7.665 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.044 6.261 7.316 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.419 7.338 6.978 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.334 6.993 4.670 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.271 7.599 5.963 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.748 7.690 4.264 1.00 0.00 H new ATOM 511 N HIS A 29 -3.080 5.484 4.695 1.00 0.00 N ATOM 512 CA HIS A 29 -1.651 5.406 5.089 1.00 0.00 C ATOM 513 C HIS A 29 -0.884 4.751 3.955 1.00 0.00 C ATOM 514 O HIS A 29 -1.486 4.344 2.966 1.00 0.00 O ATOM 515 CB HIS A 29 -1.421 4.553 6.378 1.00 0.00 C ATOM 516 CG HIS A 29 -2.232 4.916 7.590 1.00 0.00 C ATOM 517 ND1 HIS A 29 -1.952 5.970 8.430 1.00 0.00 N ATOM 518 CD2 HIS A 29 -3.333 4.327 8.101 1.00 0.00 C ATOM 519 CE1 HIS A 29 -2.844 6.004 9.399 1.00 0.00 C ATOM 520 NE2 HIS A 29 -3.690 5.018 9.219 1.00 0.00 N ATOM 0 H HIS A 29 -3.421 4.678 4.172 1.00 0.00 H new ATOM 0 HA HIS A 29 -1.311 6.421 5.295 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -1.624 3.510 6.135 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.366 4.619 6.644 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.840 3.463 7.696 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -2.874 6.722 10.205 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -4.486 4.803 9.819 1.00 0.00 H new ATOM 529 N LEU A 30 0.407 4.608 4.097 1.00 0.00 N ATOM 530 CA LEU A 30 1.188 3.946 3.083 1.00 0.00 C ATOM 531 C LEU A 30 1.770 2.672 3.663 1.00 0.00 C ATOM 532 O LEU A 30 2.386 2.695 4.726 1.00 0.00 O ATOM 533 CB LEU A 30 2.306 4.862 2.538 1.00 0.00 C ATOM 534 CG LEU A 30 3.125 4.290 1.363 1.00 0.00 C ATOM 535 CD1 LEU A 30 2.231 4.006 0.183 1.00 0.00 C ATOM 536 CD2 LEU A 30 4.227 5.241 0.947 1.00 0.00 C ATOM 0 H LEU A 30 0.940 4.939 4.901 1.00 0.00 H new ATOM 0 HA LEU A 30 0.539 3.703 2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.857 5.803 2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.990 5.095 3.354 1.00 0.00 H new ATOM 0 HG LEU A 30 3.580 3.359 1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.827 3.603 -0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.470 3.280 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.749 4.929 -0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.786 4.809 0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.790 6.190 0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.899 5.409 1.788 1.00 0.00 H new ATOM 548 N ALA A 31 1.518 1.581 3.003 1.00 0.00 N ATOM 549 CA ALA A 31 2.021 0.290 3.408 1.00 0.00 C ATOM 550 C ALA A 31 3.157 -0.137 2.488 1.00 0.00 C ATOM 551 O ALA A 31 3.452 0.508 1.489 1.00 0.00 O ATOM 552 CB ALA A 31 0.887 -0.717 3.360 1.00 0.00 C ATOM 0 H ALA A 31 0.950 1.556 2.156 1.00 0.00 H new ATOM 0 HA ALA A 31 2.409 0.345 4.425 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.257 -1.696 3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.092 -0.403 4.037 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.496 -0.777 2.344 1.00 0.00 H new ATOM 558 N LYS A 32 3.793 -1.180 2.846 1.00 0.00 N ATOM 559 CA LYS A 32 4.816 -1.772 2.099 1.00 0.00 C ATOM 560 C LYS A 32 4.748 -3.204 2.463 1.00 0.00 C ATOM 561 O LYS A 32 4.951 -3.581 3.617 1.00 0.00 O ATOM 562 CB LYS A 32 6.221 -1.144 2.329 1.00 0.00 C ATOM 563 CG LYS A 32 6.718 -1.172 3.751 1.00 0.00 C ATOM 564 CD LYS A 32 8.098 -0.588 3.883 1.00 0.00 C ATOM 565 CE LYS A 32 8.550 -0.652 5.319 1.00 0.00 C ATOM 566 NZ LYS A 32 9.907 -0.143 5.508 1.00 0.00 N ATOM 0 H LYS A 32 3.599 -1.669 3.720 1.00 0.00 H new ATOM 0 HA LYS A 32 4.672 -1.610 1.031 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.941 -1.667 1.700 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.197 -0.108 1.991 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.028 -0.616 4.386 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.725 -2.201 4.111 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.796 -1.135 3.249 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.099 0.446 3.539 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.861 -0.077 5.938 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.503 -1.685 5.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.166 -0.211 6.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.571 -0.707 4.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.950 0.851 5.205 1.00 0.00 H new ATOM 580 N ALA A 33 4.290 -3.950 1.564 1.00 0.00 N ATOM 581 CA ALA A 33 4.128 -5.348 1.763 1.00 0.00 C ATOM 582 C ALA A 33 5.475 -6.007 1.824 1.00 0.00 C ATOM 583 O ALA A 33 6.336 -5.738 0.991 1.00 0.00 O ATOM 584 CB ALA A 33 3.249 -5.923 0.678 1.00 0.00 C ATOM 0 H ALA A 33 4.005 -3.620 0.642 1.00 0.00 H new ATOM 0 HA ALA A 33 3.629 -5.538 2.713 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.129 -6.995 0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.272 -5.440 0.707 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.710 -5.750 -0.294 1.00 0.00 H new ATOM 590 N CYS A 34 5.678 -6.811 2.812 1.00 0.00 N ATOM 591 CA CYS A 34 6.931 -7.458 2.969 1.00 0.00 C ATOM 592 C CYS A 34 6.708 -8.903 2.826 1.00 0.00 C ATOM 593 O CYS A 34 5.568 -9.367 2.869 1.00 0.00 O ATOM 594 CB CYS A 34 7.514 -7.264 4.390 1.00 0.00 C ATOM 595 SG CYS A 34 6.893 -8.486 5.654 1.00 0.00 S ATOM 0 H CYS A 34 4.985 -7.035 3.526 1.00 0.00 H new ATOM 0 HA CYS A 34 7.615 -7.040 2.231 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.600 -7.336 4.336 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.278 -6.256 4.731 1.00 0.00 H new ATOM 600 N CYS A 35 7.799 -9.601 2.669 1.00 0.00 N ATOM 601 CA CYS A 35 7.862 -11.019 2.820 1.00 0.00 C ATOM 602 C CYS A 35 7.010 -11.814 1.791 1.00 0.00 C ATOM 603 O CYS A 35 6.218 -11.257 1.021 1.00 0.00 O ATOM 604 CB CYS A 35 7.429 -11.310 4.273 1.00 0.00 C ATOM 605 SG CYS A 35 8.175 -10.129 5.523 1.00 0.00 S ATOM 0 H CYS A 35 8.695 -9.180 2.424 1.00 0.00 H new ATOM 0 HA CYS A 35 8.877 -11.360 2.618 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.342 -11.257 4.338 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.715 -12.330 4.532 1.00 0.00 H new ATOM 610 N ASP A 36 7.283 -13.091 1.705 1.00 0.00 N ATOM 611 CA ASP A 36 6.416 -14.010 0.982 1.00 0.00 C ATOM 612 C ASP A 36 5.136 -14.155 1.772 1.00 0.00 C ATOM 613 O ASP A 36 5.146 -14.658 2.897 1.00 0.00 O ATOM 614 CB ASP A 36 7.082 -15.382 0.788 1.00 0.00 C ATOM 615 CG ASP A 36 6.108 -16.449 0.299 1.00 0.00 C ATOM 616 OD1 ASP A 36 5.785 -16.497 -0.904 1.00 0.00 O ATOM 617 OD2 ASP A 36 5.646 -17.266 1.128 1.00 0.00 O ATOM 0 H ASP A 36 8.102 -13.528 2.127 1.00 0.00 H new ATOM 0 HA ASP A 36 6.214 -13.612 -0.013 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.898 -15.286 0.072 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.522 -15.704 1.732 1.00 0.00 H new ATOM 622 N VAL A 37 4.081 -13.645 1.240 1.00 0.00 N ATOM 623 CA VAL A 37 2.795 -13.656 1.897 1.00 0.00 C ATOM 624 C VAL A 37 1.854 -14.556 1.167 1.00 0.00 C ATOM 625 O VAL A 37 2.095 -14.884 -0.015 1.00 0.00 O ATOM 626 CB VAL A 37 2.162 -12.261 1.986 1.00 0.00 C ATOM 627 CG1 VAL A 37 3.089 -11.290 2.678 1.00 0.00 C ATOM 628 CG2 VAL A 37 1.754 -11.759 0.617 1.00 0.00 C ATOM 0 H VAL A 37 4.074 -13.199 0.323 1.00 0.00 H new ATOM 0 HA VAL A 37 2.969 -14.015 2.911 1.00 0.00 H new ATOM 0 HB VAL A 37 1.257 -12.339 2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.617 -10.309 2.728 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.299 -11.644 3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.022 -11.216 2.119 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.308 -10.769 0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.632 -11.703 -0.026 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.027 -12.444 0.180 1.00 0.00 H new ATOM 638 N LYS A 38 0.849 -15.034 1.876 1.00 0.00 N ATOM 639 CA LYS A 38 -0.197 -15.827 1.267 1.00 0.00 C ATOM 640 C LYS A 38 -0.813 -15.021 0.136 1.00 0.00 C ATOM 641 O LYS A 38 -0.712 -15.401 -1.030 1.00 0.00 O ATOM 642 CB LYS A 38 -1.295 -16.176 2.278 1.00 0.00 C ATOM 643 CG LYS A 38 -0.809 -16.783 3.578 1.00 0.00 C ATOM 644 CD LYS A 38 0.011 -18.077 3.419 1.00 0.00 C ATOM 645 CE LYS A 38 -0.791 -19.290 2.908 1.00 0.00 C ATOM 646 NZ LYS A 38 -1.074 -19.263 1.451 1.00 0.00 N ATOM 0 H LYS A 38 0.736 -14.885 2.879 1.00 0.00 H new ATOM 0 HA LYS A 38 0.239 -16.756 0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.857 -15.270 2.507 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.990 -16.872 1.809 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.201 -16.046 4.102 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.672 -16.992 4.210 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.834 -17.887 2.730 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.454 -18.331 4.382 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.240 -20.201 3.143 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.736 -19.341 3.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.117 -20.236 1.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.985 -18.791 1.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.319 -18.743 0.960 1.00 0.00 H new ATOM 660 N GLY A 39 -1.380 -13.858 0.502 1.00 0.00 N ATOM 661 CA GLY A 39 -2.035 -12.986 -0.466 1.00 0.00 C ATOM 662 C GLY A 39 -3.029 -13.728 -1.352 1.00 0.00 C ATOM 663 O GLY A 39 -3.114 -13.445 -2.525 1.00 0.00 O ATOM 0 H GLY A 39 -1.394 -13.508 1.460 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.554 -12.187 0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.279 -12.514 -1.093 1.00 0.00 H new ATOM 667 N GLY A 40 -3.787 -14.623 -0.735 1.00 0.00 N ATOM 668 CA GLY A 40 -4.639 -15.622 -1.412 1.00 0.00 C ATOM 669 C GLY A 40 -5.533 -15.163 -2.581 1.00 0.00 C ATOM 670 O GLY A 40 -5.059 -14.897 -3.697 1.00 0.00 O ATOM 0 H GLY A 40 -3.836 -14.686 0.282 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.988 -16.413 -1.785 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.286 -16.070 -0.658 1.00 0.00 H new ATOM 674 N LYS A 41 -6.829 -15.157 -2.348 1.00 0.00 N ATOM 675 CA LYS A 41 -7.801 -14.838 -3.384 1.00 0.00 C ATOM 676 C LYS A 41 -8.262 -13.407 -3.288 1.00 0.00 C ATOM 677 O LYS A 41 -8.199 -12.658 -4.262 1.00 0.00 O ATOM 678 CB LYS A 41 -9.011 -15.784 -3.315 1.00 0.00 C ATOM 679 CG LYS A 41 -8.747 -17.260 -3.666 1.00 0.00 C ATOM 680 CD LYS A 41 -8.531 -17.504 -5.175 1.00 0.00 C ATOM 681 CE LYS A 41 -7.175 -17.028 -5.689 1.00 0.00 C ATOM 682 NZ LYS A 41 -7.048 -17.225 -7.146 1.00 0.00 N ATOM 0 H LYS A 41 -7.242 -15.372 -1.440 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.303 -14.973 -4.344 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.421 -15.741 -2.306 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.780 -15.405 -3.988 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.868 -17.603 -3.121 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.589 -17.863 -3.325 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.633 -18.570 -5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.319 -16.996 -5.732 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.045 -15.972 -5.451 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.380 -17.570 -5.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.115 -16.891 -7.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.148 -18.236 -7.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.792 -16.687 -7.635 1.00 0.00 H new ATOM 696 N ASN A 42 -8.730 -13.024 -2.117 1.00 0.00 N ATOM 697 CA ASN A 42 -9.213 -11.662 -1.910 1.00 0.00 C ATOM 698 C ASN A 42 -8.132 -10.804 -1.326 1.00 0.00 C ATOM 699 O ASN A 42 -8.346 -9.628 -1.025 1.00 0.00 O ATOM 700 CB ASN A 42 -10.467 -11.592 -1.013 1.00 0.00 C ATOM 701 CG ASN A 42 -10.287 -12.216 0.361 1.00 0.00 C ATOM 702 OD1 ASN A 42 -10.641 -13.363 0.576 1.00 0.00 O ATOM 703 ND2 ASN A 42 -9.726 -11.482 1.283 1.00 0.00 N ATOM 0 H ASN A 42 -8.789 -13.627 -1.296 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.497 -11.288 -2.894 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.754 -10.548 -0.890 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -11.292 -12.092 -1.521 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.572 -11.865 2.216 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.441 -10.526 1.071 1.00 0.00 H new ATOM 710 N GLU A 43 -6.990 -11.381 -1.150 1.00 0.00 N ATOM 711 CA GLU A 43 -5.882 -10.664 -0.629 1.00 0.00 C ATOM 712 C GLU A 43 -5.080 -10.111 -1.786 1.00 0.00 C ATOM 713 O GLU A 43 -5.171 -10.620 -2.911 1.00 0.00 O ATOM 714 CB GLU A 43 -5.036 -11.537 0.270 1.00 0.00 C ATOM 715 CG GLU A 43 -5.805 -12.196 1.394 1.00 0.00 C ATOM 716 CD GLU A 43 -4.908 -12.941 2.337 1.00 0.00 C ATOM 717 OE1 GLU A 43 -4.360 -13.993 1.951 1.00 0.00 O ATOM 718 OE2 GLU A 43 -4.757 -12.481 3.494 1.00 0.00 O ATOM 0 H GLU A 43 -6.802 -12.361 -1.364 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.237 -9.839 -0.011 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.563 -12.311 -0.334 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.236 -10.932 0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.359 -11.437 1.946 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.539 -12.884 0.975 1.00 0.00 H new ATOM 725 N LEU A 44 -4.322 -9.084 -1.525 1.00 0.00 N ATOM 726 CA LEU A 44 -3.609 -8.383 -2.563 1.00 0.00 C ATOM 727 C LEU A 44 -2.498 -9.227 -3.128 1.00 0.00 C ATOM 728 O LEU A 44 -1.755 -9.903 -2.406 1.00 0.00 O ATOM 729 CB LEU A 44 -3.021 -7.089 -2.026 1.00 0.00 C ATOM 730 CG LEU A 44 -3.071 -5.840 -2.927 1.00 0.00 C ATOM 731 CD1 LEU A 44 -2.530 -4.655 -2.178 1.00 0.00 C ATOM 732 CD2 LEU A 44 -2.298 -6.027 -4.211 1.00 0.00 C ATOM 0 H LEU A 44 -4.179 -8.707 -0.588 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.324 -8.161 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.536 -6.850 -1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.977 -7.276 -1.774 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.114 -5.672 -3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.566 -3.773 -2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.133 -4.482 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.498 -4.849 -1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.364 -5.119 -4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.253 -6.234 -3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.718 -6.863 -4.770 1.00 0.00 H new ATOM 744 N SER A 45 -2.376 -9.144 -4.400 1.00 0.00 N ATOM 745 CA SER A 45 -1.326 -9.783 -5.120 1.00 0.00 C ATOM 746 C SER A 45 -0.089 -8.883 -5.084 1.00 0.00 C ATOM 747 O SER A 45 0.259 -8.215 -6.066 1.00 0.00 O ATOM 748 CB SER A 45 -1.774 -10.067 -6.555 1.00 0.00 C ATOM 749 OG SER A 45 -2.974 -10.846 -6.555 1.00 0.00 O ATOM 0 H SER A 45 -3.019 -8.616 -4.991 1.00 0.00 H new ATOM 0 HA SER A 45 -1.077 -10.739 -4.660 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.941 -9.129 -7.083 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.987 -10.598 -7.091 1.00 0.00 H new ATOM 0 HG SER A 45 -3.251 -11.020 -7.479 1.00 0.00 H new ATOM 755 N PHE A 46 0.487 -8.783 -3.912 1.00 0.00 N ATOM 756 CA PHE A 46 1.666 -8.004 -3.706 1.00 0.00 C ATOM 757 C PHE A 46 2.832 -8.887 -3.398 1.00 0.00 C ATOM 758 O PHE A 46 2.709 -10.112 -3.425 1.00 0.00 O ATOM 759 CB PHE A 46 1.477 -6.905 -2.639 1.00 0.00 C ATOM 760 CG PHE A 46 0.919 -7.334 -1.297 1.00 0.00 C ATOM 761 CD1 PHE A 46 1.444 -8.388 -0.585 1.00 0.00 C ATOM 762 CD2 PHE A 46 -0.109 -6.630 -0.735 1.00 0.00 C ATOM 763 CE1 PHE A 46 0.941 -8.717 0.653 1.00 0.00 C ATOM 764 CE2 PHE A 46 -0.614 -6.966 0.499 1.00 0.00 C ATOM 765 CZ PHE A 46 -0.087 -8.011 1.190 1.00 0.00 C ATOM 0 H PHE A 46 0.142 -9.247 -3.072 1.00 0.00 H new ATOM 0 HA PHE A 46 1.874 -7.479 -4.638 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.443 -6.430 -2.467 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.816 -6.143 -3.052 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.258 -8.962 -1.002 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.533 -5.793 -1.271 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.367 -9.544 1.202 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.431 -6.399 0.920 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.483 -8.278 2.159 1.00 0.00 H new ATOM 775 N LYS A 47 3.939 -8.274 -3.107 1.00 0.00 N ATOM 776 CA LYS A 47 5.178 -8.950 -2.895 1.00 0.00 C ATOM 777 C LYS A 47 5.969 -8.221 -1.819 1.00 0.00 C ATOM 778 O LYS A 47 5.498 -7.259 -1.243 1.00 0.00 O ATOM 779 CB LYS A 47 5.989 -8.996 -4.200 1.00 0.00 C ATOM 780 CG LYS A 47 5.324 -9.745 -5.339 1.00 0.00 C ATOM 781 CD LYS A 47 6.163 -9.694 -6.590 1.00 0.00 C ATOM 782 CE LYS A 47 7.496 -10.401 -6.407 1.00 0.00 C ATOM 783 NZ LYS A 47 8.335 -10.307 -7.613 1.00 0.00 N ATOM 0 H LYS A 47 4.005 -7.261 -3.008 1.00 0.00 H new ATOM 0 HA LYS A 47 4.979 -9.972 -2.573 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.188 -7.974 -4.523 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.954 -9.459 -3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.162 -10.783 -5.049 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.343 -9.313 -5.538 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.617 -10.156 -7.413 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.338 -8.655 -6.868 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.026 -9.964 -5.561 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.321 -11.450 -6.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.235 -10.801 -7.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.840 -10.746 -8.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.523 -9.307 -7.828 1.00 0.00 H new ATOM 797 N GLN A 48 7.171 -8.652 -1.644 1.00 0.00 N ATOM 798 CA GLN A 48 8.087 -8.185 -0.635 1.00 0.00 C ATOM 799 C GLN A 48 8.821 -6.963 -1.143 1.00 0.00 C ATOM 800 O GLN A 48 9.677 -7.055 -2.035 1.00 0.00 O ATOM 801 CB GLN A 48 9.079 -9.311 -0.281 1.00 0.00 C ATOM 802 CG GLN A 48 10.229 -8.901 0.637 1.00 0.00 C ATOM 803 CD GLN A 48 11.059 -10.094 1.079 1.00 0.00 C ATOM 804 OE1 GLN A 48 11.177 -11.081 0.362 1.00 0.00 O ATOM 805 NE2 GLN A 48 11.602 -10.032 2.260 1.00 0.00 N ATOM 0 H GLN A 48 7.574 -9.383 -2.231 1.00 0.00 H new ATOM 0 HA GLN A 48 7.537 -7.909 0.265 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.528 -10.123 0.194 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.498 -9.708 -1.206 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.869 -8.186 0.119 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.829 -8.393 1.514 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.485 -9.196 2.832 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.145 -10.820 2.614 1.00 0.00 H new ATOM 814 N GLY A 49 8.472 -5.843 -0.610 1.00 0.00 N ATOM 815 CA GLY A 49 9.058 -4.611 -1.028 1.00 0.00 C ATOM 816 C GLY A 49 8.113 -3.875 -1.938 1.00 0.00 C ATOM 817 O GLY A 49 8.492 -2.924 -2.630 1.00 0.00 O ATOM 0 H GLY A 49 7.773 -5.753 0.127 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.292 -3.996 -0.159 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.998 -4.803 -1.545 1.00 0.00 H new ATOM 821 N GLU A 50 6.882 -4.322 -1.944 1.00 0.00 N ATOM 822 CA GLU A 50 5.860 -3.725 -2.750 1.00 0.00 C ATOM 823 C GLU A 50 5.212 -2.565 -2.052 1.00 0.00 C ATOM 824 O GLU A 50 4.698 -2.686 -0.934 1.00 0.00 O ATOM 825 CB GLU A 50 4.845 -4.757 -3.204 1.00 0.00 C ATOM 826 CG GLU A 50 5.299 -5.535 -4.431 1.00 0.00 C ATOM 827 CD GLU A 50 5.478 -4.651 -5.648 1.00 0.00 C ATOM 828 OE1 GLU A 50 6.568 -4.075 -5.843 1.00 0.00 O ATOM 829 OE2 GLU A 50 4.515 -4.503 -6.436 1.00 0.00 O ATOM 0 H GLU A 50 6.565 -5.114 -1.385 1.00 0.00 H new ATOM 0 HA GLU A 50 6.336 -3.326 -3.646 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.654 -5.454 -2.388 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.901 -4.258 -3.425 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.241 -6.038 -4.210 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.568 -6.312 -4.655 1.00 0.00 H new ATOM 836 N GLN A 51 5.198 -1.467 -2.739 1.00 0.00 N ATOM 837 CA GLN A 51 4.720 -0.244 -2.225 1.00 0.00 C ATOM 838 C GLN A 51 3.271 -0.174 -2.533 1.00 0.00 C ATOM 839 O GLN A 51 2.842 0.143 -3.644 1.00 0.00 O ATOM 840 CB GLN A 51 5.443 0.943 -2.865 1.00 0.00 C ATOM 841 CG GLN A 51 6.958 0.880 -2.790 1.00 0.00 C ATOM 842 CD GLN A 51 7.608 2.162 -3.267 1.00 0.00 C ATOM 843 OE1 GLN A 51 7.837 3.073 -2.472 1.00 0.00 O ATOM 844 NE2 GLN A 51 7.921 2.252 -4.530 1.00 0.00 N ATOM 0 H GLN A 51 5.531 -1.406 -3.701 1.00 0.00 H new ATOM 0 HA GLN A 51 4.900 -0.196 -1.151 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.147 1.009 -3.912 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.107 1.860 -2.380 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.261 0.681 -1.762 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.316 0.046 -3.394 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.717 1.478 -5.162 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.370 3.096 -4.885 1.00 0.00 H new ATOM 853 N ILE A 52 2.564 -0.546 -1.581 1.00 0.00 N ATOM 854 CA ILE A 52 1.125 -0.542 -1.605 1.00 0.00 C ATOM 855 C ILE A 52 0.528 0.519 -0.703 1.00 0.00 C ATOM 856 O ILE A 52 1.140 0.984 0.227 1.00 0.00 O ATOM 857 CB ILE A 52 0.575 -1.878 -1.172 1.00 0.00 C ATOM 858 CG1 ILE A 52 1.034 -2.199 0.206 1.00 0.00 C ATOM 859 CG2 ILE A 52 1.008 -2.955 -2.113 1.00 0.00 C ATOM 860 CD1 ILE A 52 0.488 -3.460 0.678 1.00 0.00 C ATOM 0 H ILE A 52 2.954 -0.886 -0.702 1.00 0.00 H new ATOM 0 HA ILE A 52 0.848 -0.326 -2.637 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.513 -1.821 -1.183 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.123 -2.245 0.225 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.737 -1.398 0.883 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.601 -3.911 -1.784 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.643 -2.731 -3.115 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.097 -3.010 -2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.848 -3.657 1.688 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.601 -3.405 0.685 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.807 -4.265 0.016 1.00 0.00 H new ATOM 872 N GLU A 53 -0.666 0.887 -0.973 1.00 0.00 N ATOM 873 CA GLU A 53 -1.319 1.874 -0.162 1.00 0.00 C ATOM 874 C GLU A 53 -2.579 1.294 0.399 1.00 0.00 C ATOM 875 O GLU A 53 -3.317 0.651 -0.322 1.00 0.00 O ATOM 876 CB GLU A 53 -1.678 3.087 -0.988 1.00 0.00 C ATOM 877 CG GLU A 53 -0.561 3.666 -1.809 1.00 0.00 C ATOM 878 CD GLU A 53 -1.034 4.802 -2.648 1.00 0.00 C ATOM 879 OE1 GLU A 53 -1.594 4.555 -3.736 1.00 0.00 O ATOM 880 OE2 GLU A 53 -0.870 5.971 -2.237 1.00 0.00 O ATOM 0 H GLU A 53 -1.223 0.527 -1.748 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.641 2.170 0.638 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.496 2.820 -1.657 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.053 3.862 -0.319 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.238 4.007 -1.150 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.138 2.891 -2.448 1.00 0.00 H new ATOM 887 N ILE A 54 -2.828 1.496 1.672 1.00 0.00 N ATOM 888 CA ILE A 54 -4.093 1.021 2.225 1.00 0.00 C ATOM 889 C ILE A 54 -5.126 2.140 2.284 1.00 0.00 C ATOM 890 O ILE A 54 -4.864 3.262 2.774 1.00 0.00 O ATOM 891 CB ILE A 54 -4.015 0.240 3.591 1.00 0.00 C ATOM 892 CG1 ILE A 54 -3.788 1.150 4.792 1.00 0.00 C ATOM 893 CG2 ILE A 54 -2.912 -0.800 3.533 1.00 0.00 C ATOM 894 CD1 ILE A 54 -2.481 1.842 4.762 1.00 0.00 C ATOM 0 H ILE A 54 -2.205 1.966 2.329 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.414 0.260 1.514 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.985 -0.238 3.728 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.584 1.893 4.832 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.858 0.559 5.705 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.866 -1.335 4.482 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.119 -1.506 2.729 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.957 -0.308 3.347 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.383 2.473 5.645 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.679 1.104 4.753 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.417 2.459 3.866 1.00 0.00 H new ATOM 906 N ILE A 55 -6.265 1.836 1.758 1.00 0.00 N ATOM 907 CA ILE A 55 -7.368 2.748 1.655 1.00 0.00 C ATOM 908 C ILE A 55 -8.359 2.495 2.780 1.00 0.00 C ATOM 909 O ILE A 55 -8.885 3.428 3.382 1.00 0.00 O ATOM 910 CB ILE A 55 -8.101 2.596 0.268 1.00 0.00 C ATOM 911 CG1 ILE A 55 -7.288 3.147 -0.925 1.00 0.00 C ATOM 912 CG2 ILE A 55 -9.510 3.168 0.271 1.00 0.00 C ATOM 913 CD1 ILE A 55 -6.085 2.321 -1.329 1.00 0.00 C ATOM 0 H ILE A 55 -6.466 0.913 1.372 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.975 3.762 1.732 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.185 1.519 0.125 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.952 3.236 -1.785 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.950 4.153 -0.678 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.960 3.032 -0.712 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.111 2.651 1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.471 4.231 0.508 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.586 2.795 -2.174 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.392 2.252 -0.490 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.410 1.320 -1.614 1.00 0.00 H new ATOM 925 N ARG A 56 -8.591 1.245 3.085 1.00 0.00 N ATOM 926 CA ARG A 56 -9.607 0.929 4.045 1.00 0.00 C ATOM 927 C ARG A 56 -9.075 0.147 5.223 1.00 0.00 C ATOM 928 O ARG A 56 -8.539 -0.958 5.069 1.00 0.00 O ATOM 929 CB ARG A 56 -10.775 0.197 3.382 1.00 0.00 C ATOM 930 CG ARG A 56 -11.907 -0.138 4.336 1.00 0.00 C ATOM 931 CD ARG A 56 -13.073 -0.789 3.627 1.00 0.00 C ATOM 932 NE ARG A 56 -13.664 0.091 2.609 1.00 0.00 N ATOM 933 CZ ARG A 56 -14.455 -0.330 1.613 1.00 0.00 C ATOM 934 NH1 ARG A 56 -14.777 -1.614 1.518 1.00 0.00 N ATOM 935 NH2 ARG A 56 -14.928 0.532 0.724 1.00 0.00 N ATOM 0 H ARG A 56 -8.098 0.444 2.689 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.971 1.877 4.441 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.165 0.813 2.572 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.406 -0.725 2.932 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.539 -0.805 5.115 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.246 0.773 4.830 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.740 -1.714 3.156 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.835 -1.060 4.358 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.458 1.089 2.664 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -14.422 -2.281 2.203 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.379 -1.934 0.760 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.690 1.521 0.796 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.530 0.206 -0.032 1.00 0.00 H new ATOM 949 N ILE A 57 -9.226 0.732 6.378 1.00 0.00 N ATOM 950 CA ILE A 57 -8.895 0.119 7.637 1.00 0.00 C ATOM 951 C ILE A 57 -10.168 -0.580 8.083 1.00 0.00 C ATOM 952 O ILE A 57 -11.094 0.073 8.572 1.00 0.00 O ATOM 953 CB ILE A 57 -8.543 1.212 8.701 1.00 0.00 C ATOM 954 CG1 ILE A 57 -7.469 2.201 8.181 1.00 0.00 C ATOM 955 CG2 ILE A 57 -8.112 0.581 10.024 1.00 0.00 C ATOM 956 CD1 ILE A 57 -6.155 1.572 7.767 1.00 0.00 C ATOM 0 H ILE A 57 -9.594 1.678 6.474 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.042 -0.553 7.538 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.452 1.785 8.882 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.879 2.741 7.328 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.271 2.938 8.959 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.874 1.366 10.741 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -8.922 -0.034 10.415 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.231 -0.040 9.861 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.474 2.348 7.419 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.713 1.057 8.620 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.331 0.857 6.963 1.00 0.00 H new ATOM 968 N THR A 58 -10.269 -1.861 7.859 1.00 0.00 N ATOM 969 CA THR A 58 -11.488 -2.555 8.172 1.00 0.00 C ATOM 970 C THR A 58 -11.255 -3.741 9.086 1.00 0.00 C ATOM 971 O THR A 58 -10.208 -4.396 9.036 1.00 0.00 O ATOM 972 CB THR A 58 -12.299 -2.957 6.891 1.00 0.00 C ATOM 973 OG1 THR A 58 -13.478 -3.698 7.239 1.00 0.00 O ATOM 974 CG2 THR A 58 -11.465 -3.755 5.908 1.00 0.00 C ATOM 0 H THR A 58 -9.529 -2.442 7.464 1.00 0.00 H new ATOM 0 HA THR A 58 -12.106 -1.846 8.722 1.00 0.00 H new ATOM 0 HB THR A 58 -12.590 -2.026 6.405 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.967 -3.936 6.424 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.071 -4.009 5.039 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.608 -3.161 5.591 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.115 -4.670 6.386 1.00 0.00 H new ATOM 1037 N GLY A 63 -10.766 -9.344 8.365 1.00 0.00 N ATOM 1038 CA GLY A 63 -9.811 -8.842 9.326 1.00 0.00 C ATOM 1039 C GLY A 63 -8.564 -8.373 8.639 1.00 0.00 C ATOM 1040 O GLY A 63 -7.465 -8.468 9.174 1.00 0.00 O ATOM 0 HA2 GLY A 63 -10.253 -8.020 9.890 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.564 -9.624 10.044 1.00 0.00 H new ATOM 1044 N LYS A 64 -8.739 -7.883 7.438 1.00 0.00 N ATOM 1045 CA LYS A 64 -7.648 -7.477 6.602 1.00 0.00 C ATOM 1046 C LYS A 64 -7.869 -6.039 6.222 1.00 0.00 C ATOM 1047 O LYS A 64 -8.986 -5.556 6.290 1.00 0.00 O ATOM 1048 CB LYS A 64 -7.653 -8.292 5.303 1.00 0.00 C ATOM 1049 CG LYS A 64 -7.765 -9.800 5.443 1.00 0.00 C ATOM 1050 CD LYS A 64 -6.568 -10.435 6.109 1.00 0.00 C ATOM 1051 CE LYS A 64 -6.770 -11.945 6.273 1.00 0.00 C ATOM 1052 NZ LYS A 64 -6.973 -12.645 4.983 1.00 0.00 N ATOM 0 H LYS A 64 -9.657 -7.755 7.012 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.708 -7.623 7.135 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.483 -7.945 4.687 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.736 -8.068 4.758 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.659 -10.038 6.019 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.896 -10.240 4.454 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.674 -10.246 5.515 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.405 -9.978 7.085 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.902 -12.369 6.778 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.632 -12.123 6.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.768 -13.658 5.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.959 -12.525 4.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.335 -12.244 4.266 1.00 0.00 H new ATOM 1066 N TRP A 65 -6.838 -5.375 5.819 1.00 0.00 N ATOM 1067 CA TRP A 65 -6.950 -4.016 5.345 1.00 0.00 C ATOM 1068 C TRP A 65 -7.051 -4.003 3.843 1.00 0.00 C ATOM 1069 O TRP A 65 -6.573 -4.905 3.198 1.00 0.00 O ATOM 1070 CB TRP A 65 -5.770 -3.169 5.810 1.00 0.00 C ATOM 1071 CG TRP A 65 -5.870 -2.756 7.240 1.00 0.00 C ATOM 1072 CD1 TRP A 65 -6.898 -3.019 8.099 1.00 0.00 C ATOM 1073 CD2 TRP A 65 -4.930 -1.970 7.969 1.00 0.00 C ATOM 1074 NE1 TRP A 65 -6.655 -2.444 9.306 1.00 0.00 N ATOM 1075 CE2 TRP A 65 -5.458 -1.792 9.256 1.00 0.00 C ATOM 1076 CE3 TRP A 65 -3.690 -1.395 7.669 1.00 0.00 C ATOM 1077 CZ2 TRP A 65 -4.803 -1.064 10.226 1.00 0.00 C ATOM 1078 CZ3 TRP A 65 -3.046 -0.675 8.637 1.00 0.00 C ATOM 1079 CH2 TRP A 65 -3.602 -0.509 9.903 1.00 0.00 C ATOM 0 H TRP A 65 -5.889 -5.749 5.805 1.00 0.00 H new ATOM 0 HA TRP A 65 -7.856 -3.580 5.766 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.848 -3.732 5.665 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -5.702 -2.278 5.185 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.776 -3.599 7.855 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.269 -2.492 10.119 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.250 -1.518 6.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -5.229 -0.938 11.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -2.089 -0.227 8.416 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -3.071 0.071 10.643 1.00 0.00 H new ATOM 1090 N LEU A 66 -7.687 -3.016 3.295 1.00 0.00 N ATOM 1091 CA LEU A 66 -7.798 -2.924 1.858 1.00 0.00 C ATOM 1092 C LEU A 66 -6.677 -2.062 1.329 1.00 0.00 C ATOM 1093 O LEU A 66 -6.616 -0.862 1.614 1.00 0.00 O ATOM 1094 CB LEU A 66 -9.214 -2.424 1.427 1.00 0.00 C ATOM 1095 CG LEU A 66 -9.511 -2.217 -0.099 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -8.998 -0.873 -0.606 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -8.901 -3.340 -0.928 1.00 0.00 C ATOM 0 H LEU A 66 -8.139 -2.261 3.811 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.694 -3.915 1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.946 -3.134 1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.396 -1.474 1.930 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.595 -2.231 -0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.226 -0.773 -1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.482 -0.067 -0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.919 -0.817 -0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.121 -3.174 -1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.821 -3.356 -0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.324 -4.294 -0.615 1.00 0.00 H new ATOM 1109 N GLY A 67 -5.806 -2.679 0.584 1.00 0.00 N ATOM 1110 CA GLY A 67 -4.681 -2.016 0.014 1.00 0.00 C ATOM 1111 C GLY A 67 -4.723 -2.063 -1.501 1.00 0.00 C ATOM 1112 O GLY A 67 -5.640 -2.633 -2.085 1.00 0.00 O ATOM 0 H GLY A 67 -5.863 -3.671 0.355 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.660 -0.978 0.347 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.762 -2.483 0.369 1.00 0.00 H new ATOM 1116 N ARG A 68 -3.739 -1.477 -2.115 1.00 0.00 N ATOM 1117 CA ARG A 68 -3.562 -1.461 -3.547 1.00 0.00 C ATOM 1118 C ARG A 68 -2.087 -1.332 -3.825 1.00 0.00 C ATOM 1119 O ARG A 68 -1.410 -0.602 -3.123 1.00 0.00 O ATOM 1120 CB ARG A 68 -4.306 -0.289 -4.219 1.00 0.00 C ATOM 1121 CG ARG A 68 -3.763 1.109 -3.907 1.00 0.00 C ATOM 1122 CD ARG A 68 -4.525 2.153 -4.683 1.00 0.00 C ATOM 1123 NE ARG A 68 -4.011 3.505 -4.500 1.00 0.00 N ATOM 1124 CZ ARG A 68 -4.678 4.615 -4.820 1.00 0.00 C ATOM 1125 NH1 ARG A 68 -5.929 4.546 -5.272 1.00 0.00 N ATOM 1126 NH2 ARG A 68 -4.095 5.786 -4.673 1.00 0.00 N ATOM 0 H ARG A 68 -3.004 -0.975 -1.617 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.975 -2.382 -3.958 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.279 -0.437 -5.299 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.353 -0.327 -3.918 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.846 1.308 -2.839 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.704 1.160 -4.160 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.493 1.901 -5.743 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.572 2.127 -4.380 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.078 3.609 -4.100 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.384 3.639 -5.376 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.432 5.400 -5.514 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.141 5.839 -4.317 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.598 6.640 -4.915 1.00 0.00 H new ATOM 1140 N THR A 69 -1.588 -2.032 -4.796 1.00 0.00 N ATOM 1141 CA THR A 69 -0.202 -1.909 -5.171 1.00 0.00 C ATOM 1142 C THR A 69 0.024 -0.628 -5.953 1.00 0.00 C ATOM 1143 O THR A 69 -0.939 0.062 -6.337 1.00 0.00 O ATOM 1144 CB THR A 69 0.245 -3.111 -6.033 1.00 0.00 C ATOM 1145 OG1 THR A 69 -0.777 -3.444 -6.993 1.00 0.00 O ATOM 1146 CG2 THR A 69 0.588 -4.321 -5.193 1.00 0.00 C ATOM 0 H THR A 69 -2.120 -2.702 -5.351 1.00 0.00 H new ATOM 0 HA THR A 69 0.388 -1.887 -4.255 1.00 0.00 H new ATOM 0 HB THR A 69 1.152 -2.813 -6.559 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.644 -4.363 -7.307 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.896 -5.140 -5.843 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.402 -4.072 -4.512 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.287 -4.624 -4.618 1.00 0.00 H new ATOM 1154 N ALA A 70 1.274 -0.309 -6.206 1.00 0.00 N ATOM 1155 CA ALA A 70 1.606 0.798 -7.074 1.00 0.00 C ATOM 1156 C ALA A 70 1.352 0.343 -8.500 1.00 0.00 C ATOM 1157 O ALA A 70 1.226 1.137 -9.426 1.00 0.00 O ATOM 1158 CB ALA A 70 3.057 1.218 -6.889 1.00 0.00 C ATOM 0 H ALA A 70 2.079 -0.803 -5.821 1.00 0.00 H new ATOM 0 HA ALA A 70 0.993 1.667 -6.835 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.282 2.052 -7.553 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.218 1.523 -5.855 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.712 0.379 -7.126 1.00 0.00 H new ATOM 1164 N ARG A 71 1.240 -0.976 -8.631 1.00 0.00 N ATOM 1165 CA ARG A 71 0.937 -1.648 -9.873 1.00 0.00 C ATOM 1166 C ARG A 71 -0.547 -1.402 -10.215 1.00 0.00 C ATOM 1167 O ARG A 71 -0.978 -1.614 -11.343 1.00 0.00 O ATOM 1168 CB ARG A 71 1.173 -3.161 -9.722 1.00 0.00 C ATOM 1169 CG ARG A 71 2.465 -3.555 -9.005 1.00 0.00 C ATOM 1170 CD ARG A 71 3.725 -3.061 -9.697 1.00 0.00 C ATOM 1171 NE ARG A 71 4.920 -3.377 -8.900 1.00 0.00 N ATOM 1172 CZ ARG A 71 6.187 -3.141 -9.260 1.00 0.00 C ATOM 1173 NH1 ARG A 71 6.474 -2.647 -10.468 1.00 0.00 N ATOM 1174 NH2 ARG A 71 7.165 -3.399 -8.403 1.00 0.00 N ATOM 0 H ARG A 71 1.363 -1.618 -7.848 1.00 0.00 H new ATOM 0 HA ARG A 71 1.580 -1.263 -10.664 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.331 -3.591 -9.179 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.176 -3.612 -10.714 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.441 -3.160 -7.989 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.508 -4.641 -8.924 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.808 -3.521 -10.682 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.661 -1.984 -9.852 1.00 0.00 H new ATOM 0 HE ARG A 71 4.769 -3.815 -7.991 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.723 -2.445 -11.128 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.444 -2.472 -10.730 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.948 -3.774 -7.479 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.134 -3.223 -8.667 1.00 0.00 H new ATOM 1188 N GLY A 72 -1.319 -0.983 -9.212 1.00 0.00 N ATOM 1189 CA GLY A 72 -2.705 -0.627 -9.426 1.00 0.00 C ATOM 1190 C GLY A 72 -3.687 -1.751 -9.167 1.00 0.00 C ATOM 1191 O GLY A 72 -4.801 -1.728 -9.688 1.00 0.00 O ATOM 0 H GLY A 72 -1.000 -0.885 -8.248 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.955 0.214 -8.779 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.825 -0.286 -10.454 1.00 0.00 H new ATOM 1195 N SER A 73 -3.303 -2.714 -8.363 1.00 0.00 N ATOM 1196 CA SER A 73 -4.158 -3.813 -8.046 1.00 0.00 C ATOM 1197 C SER A 73 -4.523 -3.744 -6.574 1.00 0.00 C ATOM 1198 O SER A 73 -3.661 -3.585 -5.724 1.00 0.00 O ATOM 1199 CB SER A 73 -3.454 -5.126 -8.370 1.00 0.00 C ATOM 1200 OG SER A 73 -3.022 -5.144 -9.726 1.00 0.00 O ATOM 0 H SER A 73 -2.388 -2.750 -7.915 1.00 0.00 H new ATOM 0 HA SER A 73 -5.070 -3.762 -8.641 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.598 -5.258 -7.709 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.130 -5.961 -8.187 1.00 0.00 H new ATOM 0 HG SER A 73 -2.571 -5.993 -9.914 1.00 0.00 H new ATOM 1206 N TYR A 74 -5.782 -3.803 -6.305 1.00 0.00 N ATOM 1207 CA TYR A 74 -6.310 -3.743 -4.943 1.00 0.00 C ATOM 1208 C TYR A 74 -6.417 -5.123 -4.327 1.00 0.00 C ATOM 1209 O TYR A 74 -6.568 -6.116 -5.044 1.00 0.00 O ATOM 1210 CB TYR A 74 -7.684 -3.071 -4.925 1.00 0.00 C ATOM 1211 CG TYR A 74 -7.656 -1.594 -5.221 1.00 0.00 C ATOM 1212 CD1 TYR A 74 -7.436 -1.115 -6.507 1.00 0.00 C ATOM 1213 CD2 TYR A 74 -7.838 -0.679 -4.202 1.00 0.00 C ATOM 1214 CE1 TYR A 74 -7.405 0.234 -6.764 1.00 0.00 C ATOM 1215 CE2 TYR A 74 -7.804 0.670 -4.452 1.00 0.00 C ATOM 1216 CZ TYR A 74 -7.589 1.123 -5.733 1.00 0.00 C ATOM 1217 OH TYR A 74 -7.527 2.470 -5.969 1.00 0.00 O ATOM 0 H TYR A 74 -6.503 -3.896 -7.021 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.610 -3.153 -4.352 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.326 -3.564 -5.655 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.138 -3.225 -3.946 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.287 -1.814 -7.317 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.009 -1.030 -3.195 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.237 0.593 -7.769 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.946 1.374 -3.645 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.420 2.803 -6.198 1.00 0.00 H new ATOM 1227 N GLY A 75 -6.315 -5.187 -3.011 1.00 0.00 N ATOM 1228 CA GLY A 75 -6.457 -6.449 -2.330 1.00 0.00 C ATOM 1229 C GLY A 75 -6.433 -6.312 -0.831 1.00 0.00 C ATOM 1230 O GLY A 75 -5.968 -5.297 -0.308 1.00 0.00 O ATOM 0 H GLY A 75 -6.136 -4.387 -2.404 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.395 -6.916 -2.632 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.654 -7.117 -2.642 1.00 0.00 H new ATOM 1234 N TYR A 76 -6.949 -7.319 -0.136 1.00 0.00 N ATOM 1235 CA TYR A 76 -6.894 -7.350 1.311 1.00 0.00 C ATOM 1236 C TYR A 76 -5.497 -7.689 1.795 1.00 0.00 C ATOM 1237 O TYR A 76 -4.756 -8.432 1.148 1.00 0.00 O ATOM 1238 CB TYR A 76 -7.932 -8.295 1.927 1.00 0.00 C ATOM 1239 CG TYR A 76 -9.344 -7.730 2.018 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -9.582 -6.509 2.637 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -10.433 -8.432 1.527 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -10.861 -6.005 2.755 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -11.716 -7.934 1.638 1.00 0.00 C ATOM 1244 CZ TYR A 76 -11.925 -6.720 2.253 1.00 0.00 C ATOM 1245 OH TYR A 76 -13.202 -6.212 2.354 1.00 0.00 O ATOM 0 H TYR A 76 -7.411 -8.125 -0.558 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.147 -6.346 1.652 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.961 -9.212 1.338 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.602 -8.570 2.929 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.751 -5.944 3.033 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.275 -9.387 1.048 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.027 -5.054 3.239 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.551 -8.494 1.244 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.837 -6.840 1.950 1.00 0.00 H new ATOM 1255 N ILE A 77 -5.144 -7.128 2.894 1.00 0.00 N ATOM 1256 CA ILE A 77 -3.838 -7.265 3.449 1.00 0.00 C ATOM 1257 C ILE A 77 -3.915 -7.699 4.887 1.00 0.00 C ATOM 1258 O ILE A 77 -4.667 -7.108 5.669 1.00 0.00 O ATOM 1259 CB ILE A 77 -3.136 -5.883 3.459 1.00 0.00 C ATOM 1260 CG1 ILE A 77 -3.066 -5.284 2.075 1.00 0.00 C ATOM 1261 CG2 ILE A 77 -1.747 -6.019 4.010 1.00 0.00 C ATOM 1262 CD1 ILE A 77 -2.667 -3.848 2.057 1.00 0.00 C ATOM 0 H ILE A 77 -5.769 -6.544 3.451 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.299 -7.998 2.848 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.726 -5.218 4.090 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.355 -5.856 1.478 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.040 -5.386 1.596 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.260 -5.044 4.014 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.796 -6.404 5.028 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.175 -6.708 3.388 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.640 -3.491 1.028 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.390 -3.262 2.625 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.679 -3.739 2.505 1.00 0.00 H new ATOM 1274 N LYS A 78 -3.185 -8.723 5.243 1.00 0.00 N ATOM 1275 CA LYS A 78 -2.973 -8.996 6.637 1.00 0.00 C ATOM 1276 C LYS A 78 -2.081 -7.887 7.139 1.00 0.00 C ATOM 1277 O LYS A 78 -1.069 -7.600 6.524 1.00 0.00 O ATOM 1278 CB LYS A 78 -2.272 -10.328 6.850 1.00 0.00 C ATOM 1279 CG LYS A 78 -3.104 -11.540 6.521 1.00 0.00 C ATOM 1280 CD LYS A 78 -2.282 -12.806 6.591 1.00 0.00 C ATOM 1281 CE LYS A 78 -3.157 -14.035 6.397 1.00 0.00 C ATOM 1282 NZ LYS A 78 -4.017 -14.289 7.576 1.00 0.00 N ATOM 0 H LYS A 78 -2.734 -9.372 4.598 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.927 -9.047 7.162 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.369 -10.349 6.240 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.956 -10.394 7.891 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.941 -11.609 7.216 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.527 -11.433 5.522 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.506 -12.783 5.826 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.777 -12.863 7.555 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.781 -13.901 5.514 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.526 -14.905 6.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.777 -15.213 7.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.864 -13.544 8.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.015 -14.289 7.284 1.00 0.00 H new ATOM 1296 N THR A 79 -2.416 -7.297 8.238 1.00 0.00 N ATOM 1297 CA THR A 79 -1.688 -6.138 8.768 1.00 0.00 C ATOM 1298 C THR A 79 -0.221 -6.473 9.133 1.00 0.00 C ATOM 1299 O THR A 79 0.596 -5.594 9.399 1.00 0.00 O ATOM 1300 CB THR A 79 -2.427 -5.611 9.992 1.00 0.00 C ATOM 1301 OG1 THR A 79 -2.537 -6.672 10.966 1.00 0.00 O ATOM 1302 CG2 THR A 79 -3.812 -5.213 9.576 1.00 0.00 C ATOM 0 H THR A 79 -3.205 -7.590 8.815 1.00 0.00 H new ATOM 0 HA THR A 79 -1.649 -5.378 7.988 1.00 0.00 H new ATOM 0 HB THR A 79 -1.891 -4.762 10.415 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.010 -6.341 11.758 1.00 0.00 H new ATOM 0 HG21 THR A 79 -4.356 -4.833 10.440 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.754 -4.436 8.814 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.334 -6.080 9.171 1.00 0.00 H new ATOM 1310 N THR A 80 0.084 -7.745 9.130 1.00 0.00 N ATOM 1311 CA THR A 80 1.389 -8.254 9.427 1.00 0.00 C ATOM 1312 C THR A 80 2.182 -8.442 8.122 1.00 0.00 C ATOM 1313 O THR A 80 3.418 -8.443 8.116 1.00 0.00 O ATOM 1314 CB THR A 80 1.251 -9.601 10.178 1.00 0.00 C ATOM 1315 OG1 THR A 80 2.530 -10.163 10.501 1.00 0.00 O ATOM 1316 CG2 THR A 80 0.428 -10.581 9.360 1.00 0.00 C ATOM 0 H THR A 80 -0.595 -8.475 8.913 1.00 0.00 H new ATOM 0 HA THR A 80 1.927 -7.548 10.060 1.00 0.00 H new ATOM 0 HB THR A 80 0.734 -9.404 11.117 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.404 -11.011 10.975 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.340 -11.523 9.901 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.566 -10.167 9.188 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.918 -10.757 8.402 1.00 0.00 H new ATOM 1324 N ALA A 81 1.454 -8.543 7.010 1.00 0.00 N ATOM 1325 CA ALA A 81 2.056 -8.751 5.709 1.00 0.00 C ATOM 1326 C ALA A 81 2.661 -7.455 5.205 1.00 0.00 C ATOM 1327 O ALA A 81 3.454 -7.454 4.282 1.00 0.00 O ATOM 1328 CB ALA A 81 1.027 -9.306 4.703 1.00 0.00 C ATOM 0 H ALA A 81 0.436 -8.482 6.994 1.00 0.00 H new ATOM 0 HA ALA A 81 2.849 -9.492 5.809 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.507 -9.452 3.735 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.642 -10.259 5.065 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.204 -8.599 4.597 1.00 0.00 H new ATOM 1334 N VAL A 82 2.289 -6.348 5.829 1.00 0.00 N ATOM 1335 CA VAL A 82 2.806 -5.057 5.439 1.00 0.00 C ATOM 1336 C VAL A 82 3.380 -4.321 6.596 1.00 0.00 C ATOM 1337 O VAL A 82 3.077 -4.613 7.762 1.00 0.00 O ATOM 1338 CB VAL A 82 1.766 -4.150 4.726 1.00 0.00 C ATOM 1339 CG1 VAL A 82 1.314 -4.810 3.486 1.00 0.00 C ATOM 1340 CG2 VAL A 82 0.560 -3.847 5.598 1.00 0.00 C ATOM 0 H VAL A 82 1.630 -6.324 6.607 1.00 0.00 H new ATOM 0 HA VAL A 82 3.591 -5.284 4.718 1.00 0.00 H new ATOM 0 HB VAL A 82 2.257 -3.202 4.506 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.584 -4.177 2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.168 -4.973 2.828 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.856 -5.768 3.730 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.134 -3.210 5.050 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.062 -4.779 5.867 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.885 -3.335 6.503 1.00 0.00 H new ATOM 1350 N GLU A 83 4.230 -3.412 6.279 1.00 0.00 N ATOM 1351 CA GLU A 83 4.810 -2.535 7.221 1.00 0.00 C ATOM 1352 C GLU A 83 4.277 -1.149 6.904 1.00 0.00 C ATOM 1353 O GLU A 83 4.661 -0.536 5.922 1.00 0.00 O ATOM 1354 CB GLU A 83 6.324 -2.586 7.087 1.00 0.00 C ATOM 1355 CG GLU A 83 6.882 -3.998 7.106 1.00 0.00 C ATOM 1356 CD GLU A 83 8.364 -4.046 6.935 1.00 0.00 C ATOM 1357 OE1 GLU A 83 8.848 -3.909 5.798 1.00 0.00 O ATOM 1358 OE2 GLU A 83 9.081 -4.257 7.948 1.00 0.00 O ATOM 0 H GLU A 83 4.549 -3.256 5.323 1.00 0.00 H new ATOM 0 HA GLU A 83 4.562 -2.809 8.246 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.616 -2.100 6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.773 -2.014 7.899 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.616 -4.474 8.050 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.412 -4.578 6.312 1.00 0.00 H new ATOM 1365 N ILE A 84 3.320 -0.731 7.661 1.00 0.00 N ATOM 1366 CA ILE A 84 2.679 0.553 7.473 1.00 0.00 C ATOM 1367 C ILE A 84 3.603 1.679 7.944 1.00 0.00 C ATOM 1368 O ILE A 84 4.223 1.582 9.012 1.00 0.00 O ATOM 1369 CB ILE A 84 1.340 0.573 8.263 1.00 0.00 C ATOM 1370 CG1 ILE A 84 0.379 -0.479 7.714 1.00 0.00 C ATOM 1371 CG2 ILE A 84 0.673 1.951 8.275 1.00 0.00 C ATOM 1372 CD1 ILE A 84 -0.221 -0.127 6.397 1.00 0.00 C ATOM 0 H ILE A 84 2.946 -1.269 8.443 1.00 0.00 H new ATOM 0 HA ILE A 84 2.472 0.708 6.414 1.00 0.00 H new ATOM 0 HB ILE A 84 1.585 0.334 9.298 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.910 -1.426 7.618 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.422 -0.635 8.436 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.257 1.900 8.842 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.342 2.675 8.740 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.458 2.260 7.252 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.891 -0.925 6.077 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.783 0.803 6.490 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.571 -0.000 5.659 1.00 0.00 H new ATOM 1384 N ASP A 85 3.742 2.700 7.125 1.00 0.00 N ATOM 1385 CA ASP A 85 4.526 3.861 7.488 1.00 0.00 C ATOM 1386 C ASP A 85 3.619 5.016 7.712 1.00 0.00 C ATOM 1387 O ASP A 85 2.566 5.143 7.061 1.00 0.00 O ATOM 1388 CB ASP A 85 5.503 4.314 6.410 1.00 0.00 C ATOM 1389 CG ASP A 85 6.605 3.364 6.053 1.00 0.00 C ATOM 1390 OD1 ASP A 85 7.160 2.695 6.950 1.00 0.00 O ATOM 1391 OD2 ASP A 85 7.013 3.359 4.873 1.00 0.00 O ATOM 0 H ASP A 85 3.319 2.749 6.198 1.00 0.00 H new ATOM 0 HA ASP A 85 5.087 3.562 8.374 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.934 4.530 5.505 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.955 5.252 6.734 1.00 0.00 H new