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+ -166:sc= -0.0704 (180deg=-0.366) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.101) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0246 X(o=-0.025,f=-0.029) USER MOD Single : A 29 HIS : no HE2:sc= -1.18 K(o=-1.2,f=-1.9) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -143:sc= 1.32 (180deg=-0.19) USER MOD Single : A 41 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0494) USER MOD Single : A 42 ASN : amide:sc= 0.0209 K(o=0.021,f=-2.2!) 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=-0.23) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 58 THR OG1 : rot 110:sc= -0.572! USER MOD Single : A 64 LYS NZ :NH3+ -177:sc= -0.891! (180deg=-1.53!) USER MOD Single : A 69 THR OG1 : rot -175:sc= 0.209 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 30:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N GLU A 14 -14.846 -4.828 -10.752 1.00 0.00 N ATOM 245 CA GLU A 14 -14.685 -6.015 -9.955 1.00 0.00 C ATOM 246 C GLU A 14 -14.320 -5.636 -8.549 1.00 0.00 C ATOM 247 O GLU A 14 -15.065 -5.916 -7.613 1.00 0.00 O ATOM 248 CB GLU A 14 -13.609 -6.946 -10.512 1.00 0.00 C ATOM 249 CG GLU A 14 -13.872 -7.539 -11.883 1.00 0.00 C ATOM 250 CD GLU A 14 -12.704 -8.387 -12.344 1.00 0.00 C ATOM 251 OE1 GLU A 14 -12.030 -9.008 -11.495 1.00 0.00 O ATOM 252 OE2 GLU A 14 -12.425 -8.448 -13.556 1.00 0.00 O ATOM 0 HA GLU A 14 -15.636 -6.548 -9.976 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.669 -6.396 -10.553 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.468 -7.765 -9.807 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -14.777 -8.146 -11.852 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -14.050 -6.738 -12.601 1.00 0.00 H new ATOM 259 N ILE A 15 -13.207 -4.935 -8.411 1.00 0.00 N ATOM 260 CA ILE A 15 -12.663 -4.568 -7.107 1.00 0.00 C ATOM 261 C ILE A 15 -13.638 -3.710 -6.300 1.00 0.00 C ATOM 262 O ILE A 15 -13.667 -3.768 -5.071 1.00 0.00 O ATOM 263 CB ILE A 15 -11.253 -3.882 -7.232 1.00 0.00 C ATOM 264 CG1 ILE A 15 -11.304 -2.525 -7.964 1.00 0.00 C ATOM 265 CG2 ILE A 15 -10.278 -4.803 -7.932 1.00 0.00 C ATOM 266 CD1 ILE A 15 -11.489 -1.337 -7.050 1.00 0.00 C ATOM 0 H ILE A 15 -12.652 -4.602 -9.199 1.00 0.00 H new ATOM 0 HA ILE A 15 -12.521 -5.496 -6.553 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.915 -3.686 -6.214 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -10.381 -2.395 -8.529 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.120 -2.545 -8.686 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.307 -4.313 -8.010 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -10.174 -5.725 -7.360 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.649 -5.035 -8.930 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.514 -0.422 -7.643 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.426 -1.441 -6.503 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.660 -1.289 -6.344 1.00 0.00 H new ATOM 278 N LYS A 16 -14.491 -2.987 -6.992 1.00 0.00 N ATOM 279 CA LYS A 16 -15.403 -2.091 -6.325 1.00 0.00 C ATOM 280 C LYS A 16 -16.593 -2.803 -5.746 1.00 0.00 C ATOM 281 O LYS A 16 -17.245 -2.287 -4.845 1.00 0.00 O ATOM 282 CB LYS A 16 -15.771 -0.872 -7.178 1.00 0.00 C ATOM 283 CG LYS A 16 -14.622 0.121 -7.270 1.00 0.00 C ATOM 284 CD LYS A 16 -14.935 1.339 -8.120 1.00 0.00 C ATOM 285 CE LYS A 16 -13.729 2.277 -8.144 1.00 0.00 C ATOM 286 NZ LYS A 16 -13.945 3.477 -8.977 1.00 0.00 N ATOM 0 H LYS A 16 -14.570 -3.003 -8.009 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.863 -1.686 -5.469 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -16.049 -1.200 -8.180 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -16.644 -0.379 -6.750 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -14.355 0.449 -6.265 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -13.749 -0.384 -7.683 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -15.188 1.031 -9.134 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -15.805 1.860 -7.719 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.497 2.586 -7.125 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.861 1.734 -8.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.093 4.074 -8.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.139 3.189 -9.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.755 4.015 -8.607 1.00 0.00 H new ATOM 300 N LYS A 17 -16.895 -3.970 -6.245 1.00 0.00 N ATOM 301 CA LYS A 17 -17.928 -4.765 -5.624 1.00 0.00 C ATOM 302 C LYS A 17 -17.289 -5.801 -4.700 1.00 0.00 C ATOM 303 O LYS A 17 -17.773 -6.061 -3.595 1.00 0.00 O ATOM 304 CB LYS A 17 -18.831 -5.450 -6.653 1.00 0.00 C ATOM 305 CG LYS A 17 -20.004 -6.164 -6.004 1.00 0.00 C ATOM 306 CD LYS A 17 -20.864 -6.906 -6.995 1.00 0.00 C ATOM 307 CE LYS A 17 -22.015 -7.620 -6.291 1.00 0.00 C ATOM 308 NZ LYS A 17 -21.539 -8.585 -5.264 1.00 0.00 N ATOM 0 H LYS A 17 -16.453 -4.389 -7.063 1.00 0.00 H new ATOM 0 HA LYS A 17 -18.562 -4.095 -5.044 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -19.205 -4.707 -7.357 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -18.245 -6.167 -7.228 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -19.628 -6.866 -5.260 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -20.617 -5.436 -5.473 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -21.261 -6.208 -7.732 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -20.258 -7.632 -7.537 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -22.663 -6.881 -5.819 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -22.618 -8.148 -7.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -22.323 -9.209 -4.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -20.765 -9.157 -5.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -21.196 -8.065 -4.431 1.00 0.00 H new ATOM 322 N LYS A 18 -16.155 -6.335 -5.140 1.00 0.00 N ATOM 323 CA LYS A 18 -15.445 -7.412 -4.447 1.00 0.00 C ATOM 324 C LYS A 18 -14.915 -6.951 -3.094 1.00 0.00 C ATOM 325 O LYS A 18 -14.912 -7.708 -2.116 1.00 0.00 O ATOM 326 CB LYS A 18 -14.305 -7.933 -5.341 1.00 0.00 C ATOM 327 CG LYS A 18 -13.564 -9.157 -4.810 1.00 0.00 C ATOM 328 CD LYS A 18 -12.592 -9.736 -5.848 1.00 0.00 C ATOM 329 CE LYS A 18 -11.487 -8.758 -6.242 1.00 0.00 C ATOM 330 NZ LYS A 18 -10.555 -9.335 -7.239 1.00 0.00 N ATOM 0 H LYS A 18 -15.695 -6.031 -5.998 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.146 -8.224 -4.254 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.716 -8.175 -6.321 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.584 -7.128 -5.488 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.013 -8.885 -3.910 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.286 -9.922 -4.523 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.140 -10.644 -5.448 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.150 -10.024 -6.739 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.935 -7.851 -6.649 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.929 -8.466 -5.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.823 -8.635 -7.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.106 -10.185 -6.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.081 -9.590 -8.099 1.00 0.00 H new ATOM 344 N PHE A 19 -14.481 -5.719 -3.036 1.00 0.00 N ATOM 345 CA PHE A 19 -13.961 -5.159 -1.801 1.00 0.00 C ATOM 346 C PHE A 19 -14.909 -4.096 -1.239 1.00 0.00 C ATOM 347 O PHE A 19 -14.578 -3.425 -0.261 1.00 0.00 O ATOM 348 CB PHE A 19 -12.570 -4.549 -2.030 1.00 0.00 C ATOM 349 CG PHE A 19 -11.563 -5.512 -2.601 1.00 0.00 C ATOM 350 CD1 PHE A 19 -11.177 -6.624 -1.888 1.00 0.00 C ATOM 351 CD2 PHE A 19 -10.996 -5.295 -3.842 1.00 0.00 C ATOM 352 CE1 PHE A 19 -10.247 -7.508 -2.395 1.00 0.00 C ATOM 353 CE2 PHE A 19 -10.066 -6.175 -4.355 1.00 0.00 C ATOM 354 CZ PHE A 19 -9.692 -7.284 -3.628 1.00 0.00 C ATOM 0 H PHE A 19 -14.474 -5.077 -3.828 1.00 0.00 H new ATOM 0 HA PHE A 19 -13.879 -5.968 -1.076 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.665 -3.697 -2.704 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -12.193 -4.165 -1.082 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -11.609 -6.808 -0.915 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.284 -4.427 -4.417 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.957 -8.376 -1.821 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.631 -5.995 -5.327 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.964 -7.974 -4.028 1.00 0.00 H new ATOM 364 N LYS A 20 -16.106 -3.981 -1.847 1.00 0.00 N ATOM 365 CA LYS A 20 -17.118 -2.949 -1.482 1.00 0.00 C ATOM 366 C LYS A 20 -16.523 -1.568 -1.591 1.00 0.00 C ATOM 367 O LYS A 20 -16.867 -0.656 -0.854 1.00 0.00 O ATOM 368 CB LYS A 20 -17.712 -3.178 -0.081 1.00 0.00 C ATOM 369 CG LYS A 20 -18.499 -4.465 0.075 1.00 0.00 C ATOM 370 CD LYS A 20 -19.140 -4.568 1.458 1.00 0.00 C ATOM 371 CE LYS A 20 -18.106 -4.600 2.575 1.00 0.00 C ATOM 372 NZ LYS A 20 -17.231 -5.787 2.487 1.00 0.00 N ATOM 0 H LYS A 20 -16.406 -4.595 -2.604 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.940 -3.039 -2.192 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.901 -3.175 0.647 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -18.363 -2.339 0.163 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -19.274 -4.513 -0.690 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -17.839 -5.318 -0.085 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.809 -3.721 1.610 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -19.751 -5.469 1.506 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.497 -3.697 2.531 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -18.614 -4.595 3.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -16.634 -5.842 3.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.815 -6.645 2.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.627 -5.711 1.644 1.00 0.00 H new ATOM 386 N LEU A 21 -15.728 -1.402 -2.598 1.00 0.00 N ATOM 387 CA LEU A 21 -14.938 -0.229 -2.765 1.00 0.00 C ATOM 388 C LEU A 21 -15.615 0.807 -3.642 1.00 0.00 C ATOM 389 O LEU A 21 -14.957 1.703 -4.165 1.00 0.00 O ATOM 390 CB LEU A 21 -13.606 -0.608 -3.353 1.00 0.00 C ATOM 391 CG LEU A 21 -12.463 0.211 -2.832 1.00 0.00 C ATOM 392 CD1 LEU A 21 -12.352 -0.013 -1.338 1.00 0.00 C ATOM 393 CD2 LEU A 21 -11.187 -0.161 -3.534 1.00 0.00 C ATOM 0 H LEU A 21 -15.608 -2.091 -3.340 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.804 0.224 -1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.413 -1.660 -3.144 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.654 -0.502 -4.437 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.643 1.269 -3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.525 0.576 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.279 0.293 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.172 -1.070 -1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.368 0.443 -3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.973 -1.216 -3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.294 0.020 -4.603 1.00 0.00 H new ATOM 405 N THR A 22 -16.904 0.672 -3.836 1.00 0.00 N ATOM 406 CA THR A 22 -17.642 1.633 -4.611 1.00 0.00 C ATOM 407 C THR A 22 -17.575 3.018 -3.913 1.00 0.00 C ATOM 408 O THR A 22 -17.894 3.158 -2.717 1.00 0.00 O ATOM 409 CB THR A 22 -19.120 1.163 -4.871 1.00 0.00 C ATOM 410 OG1 THR A 22 -19.828 2.105 -5.693 1.00 0.00 O ATOM 411 CG2 THR A 22 -19.889 0.929 -3.578 1.00 0.00 C ATOM 0 H THR A 22 -17.463 -0.097 -3.466 1.00 0.00 H new ATOM 0 HA THR A 22 -17.183 1.723 -5.596 1.00 0.00 H new ATOM 0 HB THR A 22 -19.051 0.211 -5.397 1.00 0.00 H new ATOM 0 HG1 THR A 22 -20.743 1.787 -5.840 1.00 0.00 H new ATOM 0 HG21 THR A 22 -20.904 0.606 -3.811 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.389 0.158 -2.992 1.00 0.00 H new ATOM 0 HG23 THR A 22 -19.926 1.855 -3.004 1.00 0.00 H new ATOM 419 N GLY A 23 -17.073 4.001 -4.625 1.00 0.00 N ATOM 420 CA GLY A 23 -16.934 5.321 -4.073 1.00 0.00 C ATOM 421 C GLY A 23 -15.516 5.823 -4.235 1.00 0.00 C ATOM 422 O GLY A 23 -14.608 5.023 -4.479 1.00 0.00 O ATOM 0 H GLY A 23 -16.755 3.907 -5.589 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -17.625 6.002 -4.569 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.202 5.309 -3.017 1.00 0.00 H new ATOM 426 N PRO A 24 -15.286 7.125 -4.122 1.00 0.00 N ATOM 427 CA PRO A 24 -13.959 7.698 -4.283 1.00 0.00 C ATOM 428 C PRO A 24 -13.069 7.471 -3.052 1.00 0.00 C ATOM 429 O PRO A 24 -13.510 7.646 -1.903 1.00 0.00 O ATOM 430 CB PRO A 24 -14.250 9.190 -4.472 1.00 0.00 C ATOM 431 CG PRO A 24 -15.510 9.426 -3.721 1.00 0.00 C ATOM 432 CD PRO A 24 -16.306 8.155 -3.830 1.00 0.00 C ATOM 0 HA PRO A 24 -13.411 7.245 -5.109 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.437 9.804 -4.085 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -14.365 9.441 -5.527 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -15.303 9.668 -2.679 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -16.061 10.268 -4.140 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -16.841 7.937 -2.906 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -17.051 8.216 -4.623 1.00 0.00 H new ATOM 440 N ILE A 25 -11.842 7.060 -3.284 1.00 0.00 N ATOM 441 CA ILE A 25 -10.889 6.865 -2.212 1.00 0.00 C ATOM 442 C ILE A 25 -9.605 7.649 -2.458 1.00 0.00 C ATOM 443 O ILE A 25 -9.290 7.997 -3.610 1.00 0.00 O ATOM 444 CB ILE A 25 -10.600 5.341 -1.905 1.00 0.00 C ATOM 445 CG1 ILE A 25 -10.227 4.506 -3.164 1.00 0.00 C ATOM 446 CG2 ILE A 25 -11.775 4.701 -1.183 1.00 0.00 C ATOM 447 CD1 ILE A 25 -8.851 4.768 -3.757 1.00 0.00 C ATOM 0 H ILE A 25 -11.478 6.853 -4.214 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.355 7.265 -1.312 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.723 5.333 -1.258 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.294 3.449 -2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -10.974 4.695 -3.935 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.552 3.653 -0.983 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -11.950 5.221 -0.241 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.666 4.770 -1.807 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.703 4.130 -4.628 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.777 5.814 -4.056 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.086 4.548 -3.012 1.00 0.00 H new ATOM 459 N GLN A 26 -8.920 7.980 -1.397 1.00 0.00 N ATOM 460 CA GLN A 26 -7.646 8.672 -1.471 1.00 0.00 C ATOM 461 C GLN A 26 -6.528 7.735 -1.050 1.00 0.00 C ATOM 462 O GLN A 26 -5.917 7.081 -1.885 1.00 0.00 O ATOM 463 CB GLN A 26 -7.635 9.899 -0.554 1.00 0.00 C ATOM 464 CG GLN A 26 -8.583 11.014 -0.928 1.00 0.00 C ATOM 465 CD GLN A 26 -8.203 11.683 -2.214 1.00 0.00 C ATOM 466 OE1 GLN A 26 -8.657 11.301 -3.294 1.00 0.00 O ATOM 467 NE2 GLN A 26 -7.349 12.652 -2.119 1.00 0.00 N ATOM 0 H GLN A 26 -9.226 7.779 -0.445 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.497 8.997 -2.501 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.871 9.573 0.459 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.622 10.302 -0.532 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.593 10.614 -1.015 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.601 11.755 -0.128 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.999 12.936 -1.204 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.026 13.132 -2.959 1.00 0.00 H new ATOM 476 N VAL A 27 -6.327 7.664 0.273 1.00 0.00 N ATOM 477 CA VAL A 27 -5.324 6.850 0.983 1.00 0.00 C ATOM 478 C VAL A 27 -5.511 7.049 2.460 1.00 0.00 C ATOM 479 O VAL A 27 -5.729 8.174 2.914 1.00 0.00 O ATOM 480 CB VAL A 27 -3.827 7.214 0.688 1.00 0.00 C ATOM 481 CG1 VAL A 27 -3.277 6.458 -0.484 1.00 0.00 C ATOM 482 CG2 VAL A 27 -3.635 8.720 0.497 1.00 0.00 C ATOM 0 H VAL A 27 -6.897 8.208 0.920 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.490 5.831 0.634 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.261 6.910 1.568 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.238 6.745 -0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.330 5.388 -0.284 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.862 6.691 -1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.585 8.930 0.295 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.241 9.061 -0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.942 9.244 1.402 1.00 0.00 H new ATOM 492 N ILE A 28 -5.452 5.996 3.207 1.00 0.00 N ATOM 493 CA ILE A 28 -5.518 6.127 4.644 1.00 0.00 C ATOM 494 C ILE A 28 -4.096 6.087 5.182 1.00 0.00 C ATOM 495 O ILE A 28 -3.713 6.871 6.046 1.00 0.00 O ATOM 496 CB ILE A 28 -6.368 5.012 5.317 1.00 0.00 C ATOM 497 CG1 ILE A 28 -7.793 4.966 4.727 1.00 0.00 C ATOM 498 CG2 ILE A 28 -6.440 5.245 6.827 1.00 0.00 C ATOM 499 CD1 ILE A 28 -8.604 6.235 4.930 1.00 0.00 C ATOM 0 H ILE A 28 -5.359 5.041 2.861 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.009 7.071 4.880 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.885 4.055 5.121 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.723 4.762 3.658 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.331 4.131 5.176 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.037 4.459 7.288 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.434 5.229 7.246 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.900 6.213 7.024 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.591 6.112 4.483 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.711 6.432 5.997 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -8.093 7.073 4.456 1.00 0.00 H new ATOM 511 N HIS A 29 -3.317 5.178 4.639 1.00 0.00 N ATOM 512 CA HIS A 29 -1.916 5.002 5.000 1.00 0.00 C ATOM 513 C HIS A 29 -1.201 4.470 3.799 1.00 0.00 C ATOM 514 O HIS A 29 -1.840 4.039 2.822 1.00 0.00 O ATOM 515 CB HIS A 29 -1.712 3.966 6.148 1.00 0.00 C ATOM 516 CG HIS A 29 -2.186 4.324 7.502 1.00 0.00 C ATOM 517 ND1 HIS A 29 -1.427 4.997 8.413 1.00 0.00 N ATOM 518 CD2 HIS A 29 -3.336 4.030 8.126 1.00 0.00 C ATOM 519 CE1 HIS A 29 -2.083 5.106 9.533 1.00 0.00 C ATOM 520 NE2 HIS A 29 -3.249 4.528 9.386 1.00 0.00 N ATOM 0 H HIS A 29 -3.638 4.527 3.922 1.00 0.00 H new ATOM 0 HA HIS A 29 -1.538 5.967 5.338 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -2.209 3.041 5.855 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.646 3.748 6.215 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -0.489 5.360 8.243 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -4.175 3.496 7.705 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.726 5.590 10.430 1.00 0.00 H new ATOM 529 N LEU A 30 0.073 4.469 3.877 1.00 0.00 N ATOM 530 CA LEU A 30 0.901 3.865 2.898 1.00 0.00 C ATOM 531 C LEU A 30 1.403 2.577 3.496 1.00 0.00 C ATOM 532 O LEU A 30 1.930 2.562 4.609 1.00 0.00 O ATOM 533 CB LEU A 30 2.088 4.772 2.483 1.00 0.00 C ATOM 534 CG LEU A 30 1.781 5.989 1.573 1.00 0.00 C ATOM 535 CD1 LEU A 30 0.854 6.994 2.238 1.00 0.00 C ATOM 536 CD2 LEU A 30 3.075 6.665 1.150 1.00 0.00 C ATOM 0 H LEU A 30 0.588 4.900 4.645 1.00 0.00 H new ATOM 0 HA LEU A 30 0.329 3.692 1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.560 5.144 3.392 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.824 4.150 1.974 1.00 0.00 H new ATOM 0 HG LEU A 30 1.262 5.610 0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.672 7.826 1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.092 6.511 2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.317 7.367 3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.848 7.518 0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.613 7.007 2.034 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.694 5.955 0.601 1.00 0.00 H new ATOM 548 N ALA A 31 1.177 1.505 2.812 1.00 0.00 N ATOM 549 CA ALA A 31 1.615 0.226 3.268 1.00 0.00 C ATOM 550 C ALA A 31 2.847 -0.187 2.468 1.00 0.00 C ATOM 551 O ALA A 31 3.241 0.473 1.509 1.00 0.00 O ATOM 552 CB ALA A 31 0.486 -0.789 3.122 1.00 0.00 C ATOM 0 H ALA A 31 0.683 1.490 1.920 1.00 0.00 H new ATOM 0 HA ALA A 31 1.884 0.271 4.323 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.826 -1.764 3.472 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.370 -0.469 3.716 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.194 -0.861 2.074 1.00 0.00 H new ATOM 558 N LYS A 32 3.481 -1.191 2.896 1.00 0.00 N ATOM 559 CA LYS A 32 4.624 -1.712 2.269 1.00 0.00 C ATOM 560 C LYS A 32 4.676 -3.143 2.624 1.00 0.00 C ATOM 561 O LYS A 32 4.898 -3.495 3.785 1.00 0.00 O ATOM 562 CB LYS A 32 5.912 -0.909 2.583 1.00 0.00 C ATOM 563 CG LYS A 32 6.200 -0.661 4.053 1.00 0.00 C ATOM 564 CD LYS A 32 7.349 0.322 4.229 1.00 0.00 C ATOM 565 CE LYS A 32 7.016 1.696 3.639 1.00 0.00 C ATOM 566 NZ LYS A 32 8.138 2.643 3.786 1.00 0.00 N ATOM 0 H LYS A 32 3.209 -1.703 3.735 1.00 0.00 H new ATOM 0 HA LYS A 32 4.561 -1.614 1.185 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.761 -1.439 2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.848 0.055 2.078 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.306 -0.272 4.541 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.446 -1.603 4.543 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.578 0.427 5.289 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.243 -0.074 3.747 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.768 1.588 2.583 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.133 2.100 4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.874 3.561 3.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.358 2.766 4.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.974 2.270 3.292 1.00 0.00 H new ATOM 580 N ALA A 33 4.316 -3.941 1.697 1.00 0.00 N ATOM 581 CA ALA A 33 4.259 -5.358 1.893 1.00 0.00 C ATOM 582 C ALA A 33 5.634 -5.909 2.102 1.00 0.00 C ATOM 583 O ALA A 33 6.592 -5.442 1.484 1.00 0.00 O ATOM 584 CB ALA A 33 3.551 -6.033 0.734 1.00 0.00 C ATOM 0 H ALA A 33 4.046 -3.637 0.762 1.00 0.00 H new ATOM 0 HA ALA A 33 3.678 -5.566 2.792 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.519 -7.109 0.904 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.534 -5.648 0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.090 -5.828 -0.191 1.00 0.00 H new ATOM 590 N CYS A 34 5.746 -6.835 3.008 1.00 0.00 N ATOM 591 CA CYS A 34 6.992 -7.467 3.275 1.00 0.00 C ATOM 592 C CYS A 34 6.875 -8.905 3.109 1.00 0.00 C ATOM 593 O CYS A 34 5.793 -9.495 3.316 1.00 0.00 O ATOM 594 CB CYS A 34 7.495 -7.265 4.715 1.00 0.00 C ATOM 595 SG CYS A 34 9.095 -8.192 5.074 1.00 0.00 S ATOM 0 H CYS A 34 4.971 -7.170 3.581 1.00 0.00 H new ATOM 0 HA CYS A 34 7.689 -7.008 2.574 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.650 -6.201 4.894 1.00 0.00 H new ATOM 0 HB3 CYS A 34 6.726 -7.596 5.412 1.00 0.00 H new ATOM 600 N CYS A 35 7.995 -9.472 2.737 1.00 0.00 N ATOM 601 CA CYS A 35 8.230 -10.853 2.834 1.00 0.00 C ATOM 602 C CYS A 35 7.339 -11.645 1.825 1.00 0.00 C ATOM 603 O CYS A 35 6.592 -11.052 1.023 1.00 0.00 O ATOM 604 CB CYS A 35 7.949 -11.251 4.312 1.00 0.00 C ATOM 605 SG CYS A 35 8.647 -10.147 5.711 1.00 0.00 S ATOM 0 H CYS A 35 8.781 -8.950 2.348 1.00 0.00 H new ATOM 0 HA CYS A 35 9.259 -11.100 2.571 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.868 -11.303 4.440 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.336 -12.259 4.462 1.00 0.00 H new ATOM 610 N ASP A 36 7.464 -12.943 1.818 1.00 0.00 N ATOM 611 CA ASP A 36 6.626 -13.790 0.970 1.00 0.00 C ATOM 612 C ASP A 36 5.363 -14.154 1.699 1.00 0.00 C ATOM 613 O ASP A 36 5.360 -15.005 2.603 1.00 0.00 O ATOM 614 CB ASP A 36 7.359 -15.047 0.498 1.00 0.00 C ATOM 615 CG ASP A 36 8.469 -14.740 -0.472 1.00 0.00 C ATOM 616 OD1 ASP A 36 9.586 -14.409 -0.034 1.00 0.00 O ATOM 617 OD2 ASP A 36 8.251 -14.819 -1.695 1.00 0.00 O ATOM 0 H ASP A 36 8.138 -13.453 2.388 1.00 0.00 H new ATOM 0 HA ASP A 36 6.376 -13.218 0.077 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.770 -15.569 1.362 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.646 -15.723 0.026 1.00 0.00 H new ATOM 622 N VAL A 37 4.309 -13.498 1.329 1.00 0.00 N ATOM 623 CA VAL A 37 3.028 -13.622 1.974 1.00 0.00 C ATOM 624 C VAL A 37 2.165 -14.648 1.282 1.00 0.00 C ATOM 625 O VAL A 37 2.404 -14.985 0.109 1.00 0.00 O ATOM 626 CB VAL A 37 2.254 -12.279 2.015 1.00 0.00 C ATOM 627 CG1 VAL A 37 3.101 -11.181 2.610 1.00 0.00 C ATOM 628 CG2 VAL A 37 1.749 -11.888 0.644 1.00 0.00 C ATOM 0 H VAL A 37 4.310 -12.841 0.549 1.00 0.00 H new ATOM 0 HA VAL A 37 3.238 -13.938 2.996 1.00 0.00 H new ATOM 0 HB VAL A 37 1.386 -12.422 2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.533 -10.251 2.626 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.384 -11.451 3.627 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.999 -11.047 2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.211 -10.942 0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.593 -11.779 -0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.078 -12.661 0.269 1.00 0.00 H new ATOM 638 N LYS A 38 1.226 -15.188 2.033 1.00 0.00 N ATOM 639 CA LYS A 38 0.232 -16.100 1.515 1.00 0.00 C ATOM 640 C LYS A 38 -0.534 -15.466 0.341 1.00 0.00 C ATOM 641 O LYS A 38 -0.778 -16.139 -0.670 1.00 0.00 O ATOM 642 CB LYS A 38 -0.714 -16.585 2.638 1.00 0.00 C ATOM 643 CG LYS A 38 -1.561 -15.495 3.288 1.00 0.00 C ATOM 644 CD LYS A 38 -2.412 -16.022 4.439 1.00 0.00 C ATOM 645 CE LYS A 38 -3.337 -17.173 4.028 1.00 0.00 C ATOM 646 NZ LYS A 38 -4.213 -16.830 2.883 1.00 0.00 N ATOM 0 H LYS A 38 1.133 -15.002 3.032 1.00 0.00 H new ATOM 0 HA LYS A 38 0.742 -16.982 1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.380 -17.344 2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.117 -17.069 3.411 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.908 -14.704 3.656 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.211 -15.048 2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.757 -16.360 5.242 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.014 -15.207 4.841 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.733 -18.043 3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.955 -17.457 4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.147 -17.268 3.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.320 -15.797 2.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.788 -17.184 2.002 1.00 0.00 H new ATOM 660 N GLY A 39 -0.909 -14.166 0.484 1.00 0.00 N ATOM 661 CA GLY A 39 -1.516 -13.423 -0.631 1.00 0.00 C ATOM 662 C GLY A 39 -2.660 -14.134 -1.336 1.00 0.00 C ATOM 663 O GLY A 39 -2.658 -14.209 -2.564 1.00 0.00 O ATOM 0 H GLY A 39 -0.801 -13.629 1.344 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.881 -12.467 -0.254 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.740 -13.202 -1.364 1.00 0.00 H new ATOM 667 N GLY A 40 -3.555 -14.732 -0.574 1.00 0.00 N ATOM 668 CA GLY A 40 -4.664 -15.539 -1.120 1.00 0.00 C ATOM 669 C GLY A 40 -5.576 -14.817 -2.126 1.00 0.00 C ATOM 670 O GLY A 40 -5.347 -13.669 -2.470 1.00 0.00 O ATOM 0 H GLY A 40 -3.546 -14.681 0.445 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.244 -16.421 -1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.276 -15.892 -0.290 1.00 0.00 H new ATOM 674 N LYS A 41 -6.630 -15.508 -2.554 1.00 0.00 N ATOM 675 CA LYS A 41 -7.573 -15.038 -3.588 1.00 0.00 C ATOM 676 C LYS A 41 -8.054 -13.597 -3.376 1.00 0.00 C ATOM 677 O LYS A 41 -7.950 -12.766 -4.289 1.00 0.00 O ATOM 678 CB LYS A 41 -8.770 -15.990 -3.696 1.00 0.00 C ATOM 679 CG LYS A 41 -9.826 -15.565 -4.708 1.00 0.00 C ATOM 680 CD LYS A 41 -10.993 -16.537 -4.739 1.00 0.00 C ATOM 681 CE LYS A 41 -12.116 -16.040 -5.642 1.00 0.00 C ATOM 682 NZ LYS A 41 -11.688 -15.875 -7.049 1.00 0.00 N ATOM 0 H LYS A 41 -6.865 -16.431 -2.189 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.017 -15.038 -4.526 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.406 -16.982 -3.964 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.239 -16.077 -2.716 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.189 -14.568 -4.459 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.377 -15.503 -5.699 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.647 -17.510 -5.089 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.375 -16.680 -3.728 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.948 -16.743 -5.600 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.485 -15.086 -5.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.509 -15.617 -7.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.971 -15.124 -7.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.283 -16.768 -7.396 1.00 0.00 H new ATOM 696 N ASN A 42 -8.555 -13.289 -2.193 1.00 0.00 N ATOM 697 CA ASN A 42 -9.068 -11.942 -1.932 1.00 0.00 C ATOM 698 C ASN A 42 -7.980 -11.028 -1.427 1.00 0.00 C ATOM 699 O ASN A 42 -8.181 -9.826 -1.285 1.00 0.00 O ATOM 700 CB ASN A 42 -10.262 -11.938 -0.959 1.00 0.00 C ATOM 701 CG ASN A 42 -9.932 -12.346 0.472 1.00 0.00 C ATOM 702 OD1 ASN A 42 -8.995 -13.100 0.732 1.00 0.00 O ATOM 703 ND2 ASN A 42 -10.723 -11.884 1.405 1.00 0.00 N ATOM 0 H ASN A 42 -8.621 -13.935 -1.406 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.428 -11.565 -2.889 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.695 -10.938 -0.944 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -11.027 -12.611 -1.345 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.571 -12.147 2.379 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.492 -11.260 1.159 1.00 0.00 H new ATOM 710 N GLU A 43 -6.819 -11.582 -1.217 1.00 0.00 N ATOM 711 CA GLU A 43 -5.707 -10.830 -0.738 1.00 0.00 C ATOM 712 C GLU A 43 -4.930 -10.325 -1.937 1.00 0.00 C ATOM 713 O GLU A 43 -5.177 -10.760 -3.072 1.00 0.00 O ATOM 714 CB GLU A 43 -4.808 -11.683 0.186 1.00 0.00 C ATOM 715 CG GLU A 43 -5.500 -12.194 1.449 1.00 0.00 C ATOM 716 CD GLU A 43 -4.603 -13.069 2.315 1.00 0.00 C ATOM 717 OE1 GLU A 43 -4.499 -14.286 2.041 1.00 0.00 O ATOM 718 OE2 GLU A 43 -4.012 -12.569 3.295 1.00 0.00 O ATOM 0 H GLU A 43 -6.623 -12.570 -1.375 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.061 -9.989 -0.141 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.435 -12.537 -0.379 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.941 -11.090 0.477 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.843 -11.343 2.037 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.386 -12.762 1.165 1.00 0.00 H new ATOM 725 N LEU A 44 -4.046 -9.408 -1.719 1.00 0.00 N ATOM 726 CA LEU A 44 -3.292 -8.831 -2.793 1.00 0.00 C ATOM 727 C LEU A 44 -2.176 -9.763 -3.176 1.00 0.00 C ATOM 728 O LEU A 44 -1.569 -10.424 -2.329 1.00 0.00 O ATOM 729 CB LEU A 44 -2.710 -7.482 -2.377 1.00 0.00 C ATOM 730 CG LEU A 44 -2.882 -6.300 -3.340 1.00 0.00 C ATOM 731 CD1 LEU A 44 -2.474 -5.002 -2.654 1.00 0.00 C ATOM 732 CD2 LEU A 44 -2.064 -6.500 -4.595 1.00 0.00 C ATOM 0 H LEU A 44 -3.823 -9.036 -0.796 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.955 -8.677 -3.644 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.158 -7.204 -1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.643 -7.618 -2.201 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.933 -6.242 -3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.600 -4.169 -3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.100 -4.842 -1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.430 -5.065 -2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.204 -5.648 -5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.010 -6.586 -4.332 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.388 -7.411 -5.099 1.00 0.00 H new ATOM 744 N SER A 45 -1.887 -9.782 -4.428 1.00 0.00 N ATOM 745 CA SER A 45 -0.814 -10.582 -4.977 1.00 0.00 C ATOM 746 C SER A 45 0.507 -9.798 -4.878 1.00 0.00 C ATOM 747 O SER A 45 1.341 -9.816 -5.798 1.00 0.00 O ATOM 748 CB SER A 45 -1.131 -10.896 -6.440 1.00 0.00 C ATOM 749 OG SER A 45 -2.404 -11.531 -6.567 1.00 0.00 O ATOM 0 H SER A 45 -2.391 -9.236 -5.127 1.00 0.00 H new ATOM 0 HA SER A 45 -0.715 -11.514 -4.420 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.121 -9.975 -7.023 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.356 -11.542 -6.852 1.00 0.00 H new ATOM 0 HG SER A 45 -2.583 -11.719 -7.512 1.00 0.00 H new ATOM 755 N PHE A 46 0.709 -9.141 -3.748 1.00 0.00 N ATOM 756 CA PHE A 46 1.876 -8.324 -3.558 1.00 0.00 C ATOM 757 C PHE A 46 3.081 -9.134 -3.138 1.00 0.00 C ATOM 758 O PHE A 46 2.994 -10.341 -2.886 1.00 0.00 O ATOM 759 CB PHE A 46 1.633 -7.153 -2.596 1.00 0.00 C ATOM 760 CG PHE A 46 1.089 -7.515 -1.228 1.00 0.00 C ATOM 761 CD1 PHE A 46 1.716 -8.431 -0.410 1.00 0.00 C ATOM 762 CD2 PHE A 46 -0.046 -6.920 -0.767 1.00 0.00 C ATOM 763 CE1 PHE A 46 1.207 -8.733 0.825 1.00 0.00 C ATOM 764 CE2 PHE A 46 -0.556 -7.223 0.469 1.00 0.00 C ATOM 765 CZ PHE A 46 0.074 -8.130 1.264 1.00 0.00 C ATOM 0 H PHE A 46 0.073 -9.163 -2.951 1.00 0.00 H new ATOM 0 HA PHE A 46 2.095 -7.892 -4.535 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.574 -6.619 -2.461 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.938 -6.459 -3.069 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.620 -8.916 -0.747 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.554 -6.196 -1.387 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.710 -9.454 1.452 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.459 -6.741 0.812 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.326 -8.368 2.239 1.00 0.00 H new ATOM 775 N LYS A 47 4.177 -8.463 -3.015 1.00 0.00 N ATOM 776 CA LYS A 47 5.425 -9.079 -2.751 1.00 0.00 C ATOM 777 C LYS A 47 6.168 -8.354 -1.621 1.00 0.00 C ATOM 778 O LYS A 47 5.679 -7.391 -1.059 1.00 0.00 O ATOM 779 CB LYS A 47 6.249 -9.141 -4.048 1.00 0.00 C ATOM 780 CG LYS A 47 5.621 -10.018 -5.132 1.00 0.00 C ATOM 781 CD LYS A 47 6.435 -10.030 -6.409 1.00 0.00 C ATOM 782 CE LYS A 47 7.837 -10.591 -6.189 1.00 0.00 C ATOM 783 NZ LYS A 47 8.596 -10.706 -7.450 1.00 0.00 N ATOM 0 H LYS A 47 4.226 -7.448 -3.098 1.00 0.00 H new ATOM 0 HA LYS A 47 5.261 -10.100 -2.406 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.374 -8.131 -4.437 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.245 -9.520 -3.818 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.521 -11.037 -4.758 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.615 -9.658 -5.349 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.920 -10.627 -7.162 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.508 -9.016 -6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.380 -9.947 -5.498 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.764 -11.572 -5.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.542 -11.091 -7.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.093 -11.342 -8.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.689 -9.766 -7.886 1.00 0.00 H new ATOM 797 N GLN A 48 7.366 -8.784 -1.411 1.00 0.00 N ATOM 798 CA GLN A 48 8.247 -8.451 -0.270 1.00 0.00 C ATOM 799 C GLN A 48 8.697 -6.985 -0.187 1.00 0.00 C ATOM 800 O GLN A 48 9.137 -6.508 0.867 1.00 0.00 O ATOM 801 CB GLN A 48 9.461 -9.424 -0.278 1.00 0.00 C ATOM 802 CG GLN A 48 10.654 -8.957 0.529 1.00 0.00 C ATOM 803 CD GLN A 48 11.716 -10.018 0.717 1.00 0.00 C ATOM 804 OE1 GLN A 48 11.904 -10.896 -0.126 1.00 0.00 O ATOM 805 NE2 GLN A 48 12.418 -9.945 1.809 1.00 0.00 N ATOM 0 H GLN A 48 7.817 -9.426 -2.062 1.00 0.00 H new ATOM 0 HA GLN A 48 7.650 -8.581 0.633 1.00 0.00 H new ATOM 0 HB2 GLN A 48 9.136 -10.391 0.106 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.777 -9.580 -1.310 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.100 -8.093 0.035 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.310 -8.622 1.508 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.234 -9.204 2.485 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.153 -10.629 1.990 1.00 0.00 H new ATOM 814 N GLY A 49 8.539 -6.300 -1.233 1.00 0.00 N ATOM 815 CA GLY A 49 9.013 -4.938 -1.325 1.00 0.00 C ATOM 816 C GLY A 49 8.033 -4.090 -2.054 1.00 0.00 C ATOM 817 O GLY A 49 8.369 -3.028 -2.591 1.00 0.00 O ATOM 0 H GLY A 49 8.077 -6.643 -2.075 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.177 -4.536 -0.325 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.974 -4.916 -1.839 1.00 0.00 H new ATOM 821 N GLU A 50 6.827 -4.581 -2.114 1.00 0.00 N ATOM 822 CA GLU A 50 5.770 -3.952 -2.842 1.00 0.00 C ATOM 823 C GLU A 50 5.173 -2.762 -2.128 1.00 0.00 C ATOM 824 O GLU A 50 4.707 -2.849 -0.976 1.00 0.00 O ATOM 825 CB GLU A 50 4.718 -4.965 -3.201 1.00 0.00 C ATOM 826 CG GLU A 50 5.021 -5.737 -4.468 1.00 0.00 C ATOM 827 CD GLU A 50 5.106 -4.847 -5.682 1.00 0.00 C ATOM 828 OE1 GLU A 50 4.095 -4.607 -6.324 1.00 0.00 O ATOM 829 OE2 GLU A 50 6.208 -4.387 -6.022 1.00 0.00 O ATOM 0 H GLU A 50 6.550 -5.445 -1.649 1.00 0.00 H new ATOM 0 HA GLU A 50 6.207 -3.551 -3.756 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.607 -5.668 -2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.761 -4.456 -3.317 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.963 -6.271 -4.347 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.247 -6.488 -4.626 1.00 0.00 H new ATOM 836 N GLN A 51 5.151 -1.676 -2.841 1.00 0.00 N ATOM 837 CA GLN A 51 4.635 -0.451 -2.375 1.00 0.00 C ATOM 838 C GLN A 51 3.199 -0.414 -2.710 1.00 0.00 C ATOM 839 O GLN A 51 2.787 -0.182 -3.847 1.00 0.00 O ATOM 840 CB GLN A 51 5.345 0.723 -3.024 1.00 0.00 C ATOM 841 CG GLN A 51 6.794 0.843 -2.643 1.00 0.00 C ATOM 842 CD GLN A 51 7.506 1.927 -3.408 1.00 0.00 C ATOM 843 OE1 GLN A 51 6.906 2.929 -3.813 1.00 0.00 O ATOM 844 NE2 GLN A 51 8.783 1.748 -3.605 1.00 0.00 N ATOM 0 H GLN A 51 5.508 -1.631 -3.796 1.00 0.00 H new ATOM 0 HA GLN A 51 4.787 -0.373 -1.298 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.271 0.626 -4.107 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.830 1.644 -2.750 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.869 1.048 -1.575 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.293 -0.110 -2.821 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.240 0.906 -3.254 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.324 2.450 -4.110 1.00 0.00 H new ATOM 853 N ILE A 52 2.484 -0.752 -1.760 1.00 0.00 N ATOM 854 CA ILE A 52 1.047 -0.723 -1.792 1.00 0.00 C ATOM 855 C ILE A 52 0.487 0.365 -0.887 1.00 0.00 C ATOM 856 O ILE A 52 1.153 0.845 -0.010 1.00 0.00 O ATOM 857 CB ILE A 52 0.480 -2.064 -1.354 1.00 0.00 C ATOM 858 CG1 ILE A 52 0.928 -2.396 0.035 1.00 0.00 C ATOM 859 CG2 ILE A 52 0.921 -3.146 -2.293 1.00 0.00 C ATOM 860 CD1 ILE A 52 0.423 -3.703 0.479 1.00 0.00 C ATOM 0 H ILE A 52 2.863 -1.081 -0.872 1.00 0.00 H new ATOM 0 HA ILE A 52 0.753 -0.510 -2.820 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.608 -1.995 -1.369 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.017 -2.396 0.074 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.584 -1.622 0.721 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.508 -4.101 -1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.567 -2.921 -3.299 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.009 -3.204 -2.296 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.772 -3.903 1.492 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.667 -3.695 0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.788 -4.481 -0.191 1.00 0.00 H new ATOM 872 N GLU A 53 -0.704 0.783 -1.125 1.00 0.00 N ATOM 873 CA GLU A 53 -1.328 1.751 -0.246 1.00 0.00 C ATOM 874 C GLU A 53 -2.675 1.238 0.159 1.00 0.00 C ATOM 875 O GLU A 53 -3.377 0.654 -0.651 1.00 0.00 O ATOM 876 CB GLU A 53 -1.470 3.124 -0.909 1.00 0.00 C ATOM 877 CG GLU A 53 -0.173 3.753 -1.393 1.00 0.00 C ATOM 878 CD GLU A 53 -0.412 5.059 -2.108 1.00 0.00 C ATOM 879 OE1 GLU A 53 -0.964 5.042 -3.232 1.00 0.00 O ATOM 880 OE2 GLU A 53 -0.068 6.131 -1.575 1.00 0.00 O ATOM 0 H GLU A 53 -1.278 0.482 -1.913 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.690 1.881 0.628 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.147 3.030 -1.758 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.941 3.804 -0.199 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.488 3.921 -0.543 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.338 3.061 -2.063 1.00 0.00 H new ATOM 887 N ILE A 54 -3.023 1.420 1.402 1.00 0.00 N ATOM 888 CA ILE A 54 -4.329 0.994 1.863 1.00 0.00 C ATOM 889 C ILE A 54 -5.272 2.169 1.916 1.00 0.00 C ATOM 890 O ILE A 54 -4.922 3.278 2.382 1.00 0.00 O ATOM 891 CB ILE A 54 -4.368 0.210 3.233 1.00 0.00 C ATOM 892 CG1 ILE A 54 -3.940 1.057 4.419 1.00 0.00 C ATOM 893 CG2 ILE A 54 -3.491 -1.013 3.166 1.00 0.00 C ATOM 894 CD1 ILE A 54 -2.488 1.365 4.417 1.00 0.00 C ATOM 0 H ILE A 54 -2.434 1.854 2.112 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.648 0.262 1.121 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.409 -0.074 3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.504 1.990 4.415 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.194 0.535 5.342 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.530 -1.541 4.119 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.844 -1.671 2.372 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.464 -0.713 2.959 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.244 1.972 5.288 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.919 0.436 4.451 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.234 1.913 3.510 1.00 0.00 H new ATOM 906 N ILE A 55 -6.441 1.941 1.438 1.00 0.00 N ATOM 907 CA ILE A 55 -7.448 2.965 1.359 1.00 0.00 C ATOM 908 C ILE A 55 -8.669 2.612 2.172 1.00 0.00 C ATOM 909 O ILE A 55 -9.691 3.311 2.121 1.00 0.00 O ATOM 910 CB ILE A 55 -7.848 3.349 -0.107 1.00 0.00 C ATOM 911 CG1 ILE A 55 -8.111 2.125 -1.021 1.00 0.00 C ATOM 912 CG2 ILE A 55 -6.795 4.246 -0.718 1.00 0.00 C ATOM 913 CD1 ILE A 55 -6.847 1.443 -1.554 1.00 0.00 C ATOM 0 H ILE A 55 -6.740 1.032 1.084 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.987 3.853 1.792 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.795 3.884 -0.036 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.696 1.392 -0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.720 2.444 -1.867 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.085 4.506 -1.736 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.702 5.155 -0.124 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.838 3.725 -0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.127 0.598 -2.183 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.269 2.156 -2.141 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.245 1.088 -0.718 1.00 0.00 H new ATOM 925 N ARG A 56 -8.561 1.550 2.942 1.00 0.00 N ATOM 926 CA ARG A 56 -9.623 1.156 3.822 1.00 0.00 C ATOM 927 C ARG A 56 -9.076 0.347 4.989 1.00 0.00 C ATOM 928 O ARG A 56 -8.471 -0.715 4.792 1.00 0.00 O ATOM 929 CB ARG A 56 -10.701 0.374 3.067 1.00 0.00 C ATOM 930 CG ARG A 56 -11.893 0.004 3.926 1.00 0.00 C ATOM 931 CD ARG A 56 -12.997 -0.636 3.111 1.00 0.00 C ATOM 932 NE ARG A 56 -13.591 0.302 2.142 1.00 0.00 N ATOM 933 CZ ARG A 56 -14.800 0.181 1.575 1.00 0.00 C ATOM 934 NH1 ARG A 56 -15.582 -0.855 1.853 1.00 0.00 N ATOM 935 NH2 ARG A 56 -15.225 1.114 0.729 1.00 0.00 N ATOM 0 H ARG A 56 -7.740 0.945 2.971 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.088 2.058 4.221 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.044 0.969 2.220 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.260 -0.536 2.660 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.576 -0.683 4.711 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.277 0.897 4.419 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.599 -1.501 2.580 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.774 -1.004 3.781 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.033 1.115 1.880 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -15.266 -1.572 2.506 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -16.499 -0.934 1.414 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.632 1.916 0.515 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.144 1.028 0.294 1.00 0.00 H new ATOM 949 N ILE A 57 -9.252 0.875 6.184 1.00 0.00 N ATOM 950 CA ILE A 57 -8.856 0.192 7.401 1.00 0.00 C ATOM 951 C ILE A 57 -10.070 -0.561 7.886 1.00 0.00 C ATOM 952 O ILE A 57 -10.988 0.005 8.510 1.00 0.00 O ATOM 953 CB ILE A 57 -8.400 1.211 8.490 1.00 0.00 C ATOM 954 CG1 ILE A 57 -7.253 2.083 7.962 1.00 0.00 C ATOM 955 CG2 ILE A 57 -7.983 0.506 9.779 1.00 0.00 C ATOM 956 CD1 ILE A 57 -6.029 1.310 7.501 1.00 0.00 C ATOM 0 H ILE A 57 -9.674 1.791 6.339 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.017 -0.476 7.208 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.252 1.851 8.722 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.623 2.681 7.129 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.953 2.779 8.746 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.671 1.247 10.515 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -8.826 -0.063 10.172 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.154 -0.170 9.572 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.271 2.008 7.145 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.628 0.733 8.334 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.309 0.634 6.693 1.00 0.00 H new ATOM 968 N THR A 58 -10.105 -1.792 7.546 1.00 0.00 N ATOM 969 CA THR A 58 -11.193 -2.649 7.822 1.00 0.00 C ATOM 970 C THR A 58 -11.009 -3.451 9.107 1.00 0.00 C ATOM 971 O THR A 58 -9.917 -3.945 9.408 1.00 0.00 O ATOM 972 CB THR A 58 -11.265 -3.597 6.637 1.00 0.00 C ATOM 973 OG1 THR A 58 -9.946 -3.668 6.061 1.00 0.00 O ATOM 974 CG2 THR A 58 -12.209 -3.090 5.593 1.00 0.00 C ATOM 0 H THR A 58 -9.344 -2.251 7.046 1.00 0.00 H new ATOM 0 HA THR A 58 -12.102 -2.064 7.966 1.00 0.00 H new ATOM 0 HB THR A 58 -11.619 -4.571 6.976 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.561 -4.552 6.234 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.238 -3.790 4.758 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.207 -2.993 6.021 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.870 -2.117 5.238 1.00 0.00 H new ATOM 1037 N GLY A 63 -10.464 -9.816 8.231 1.00 0.00 N ATOM 1038 CA GLY A 63 -9.247 -9.781 9.012 1.00 0.00 C ATOM 1039 C GLY A 63 -8.105 -9.194 8.228 1.00 0.00 C ATOM 1040 O GLY A 63 -6.941 -9.400 8.555 1.00 0.00 O ATOM 0 HA2 GLY A 63 -9.410 -9.193 9.915 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.989 -10.791 9.331 1.00 0.00 H new ATOM 1044 N LYS A 64 -8.439 -8.463 7.192 1.00 0.00 N ATOM 1045 CA LYS A 64 -7.452 -7.919 6.288 1.00 0.00 C ATOM 1046 C LYS A 64 -7.765 -6.458 6.031 1.00 0.00 C ATOM 1047 O LYS A 64 -8.896 -6.029 6.264 1.00 0.00 O ATOM 1048 CB LYS A 64 -7.546 -8.631 4.938 1.00 0.00 C ATOM 1049 CG LYS A 64 -7.605 -10.150 4.962 1.00 0.00 C ATOM 1050 CD LYS A 64 -6.326 -10.805 5.418 1.00 0.00 C ATOM 1051 CE LYS A 64 -6.502 -12.312 5.381 1.00 0.00 C ATOM 1052 NZ LYS A 64 -5.252 -13.036 5.643 1.00 0.00 N ATOM 0 H LYS A 64 -9.402 -8.228 6.951 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.464 -8.045 6.731 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.435 -8.265 4.423 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.686 -8.335 4.338 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.416 -10.462 5.620 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.850 -10.510 3.963 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.500 -10.507 4.773 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.076 -10.480 6.428 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.248 -12.605 6.120 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.888 -12.605 4.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.418 -14.059 5.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.530 -12.743 4.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.921 -12.820 6.605 1.00 0.00 H new ATOM 1066 N TRP A 65 -6.794 -5.720 5.547 1.00 0.00 N ATOM 1067 CA TRP A 65 -6.997 -4.342 5.094 1.00 0.00 C ATOM 1068 C TRP A 65 -7.089 -4.321 3.602 1.00 0.00 C ATOM 1069 O TRP A 65 -6.646 -5.253 2.956 1.00 0.00 O ATOM 1070 CB TRP A 65 -5.881 -3.400 5.556 1.00 0.00 C ATOM 1071 CG TRP A 65 -6.011 -3.013 6.976 1.00 0.00 C ATOM 1072 CD1 TRP A 65 -7.098 -3.231 7.766 1.00 0.00 C ATOM 1073 CD2 TRP A 65 -5.057 -2.316 7.788 1.00 0.00 C ATOM 1074 NE1 TRP A 65 -6.892 -2.730 9.003 1.00 0.00 N ATOM 1075 CE2 TRP A 65 -5.645 -2.167 9.053 1.00 0.00 C ATOM 1076 CE3 TRP A 65 -3.755 -1.800 7.587 1.00 0.00 C ATOM 1077 CZ2 TRP A 65 -5.004 -1.540 10.093 1.00 0.00 C ATOM 1078 CZ3 TRP A 65 -3.138 -1.193 8.619 1.00 0.00 C ATOM 1079 CH2 TRP A 65 -3.748 -1.058 9.867 1.00 0.00 C ATOM 0 H TRP A 65 -5.833 -6.049 5.451 1.00 0.00 H new ATOM 0 HA TRP A 65 -7.925 -3.983 5.540 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.916 -3.884 5.403 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -5.889 -2.503 4.937 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.999 -3.734 7.448 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.558 -2.765 9.775 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.267 -1.891 6.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -5.478 -1.432 11.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -2.142 -0.799 8.477 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -3.217 -0.564 10.667 1.00 0.00 H new ATOM 1090 N LEU A 66 -7.667 -3.295 3.051 1.00 0.00 N ATOM 1091 CA LEU A 66 -7.767 -3.211 1.620 1.00 0.00 C ATOM 1092 C LEU A 66 -6.695 -2.289 1.075 1.00 0.00 C ATOM 1093 O LEU A 66 -6.681 -1.071 1.353 1.00 0.00 O ATOM 1094 CB LEU A 66 -9.207 -2.822 1.171 1.00 0.00 C ATOM 1095 CG LEU A 66 -9.496 -2.706 -0.354 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -9.046 -1.373 -0.907 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -8.808 -3.825 -1.125 1.00 0.00 C ATOM 0 H LEU A 66 -8.073 -2.511 3.562 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.585 -4.197 1.191 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.895 -3.559 1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.451 -1.864 1.630 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.576 -2.790 -0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.264 -1.329 -1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.575 -0.569 -0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.973 -1.258 -0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.026 -3.722 -2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.731 -3.767 -0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.174 -4.789 -0.772 1.00 0.00 H new ATOM 1109 N GLY A 67 -5.810 -2.873 0.312 1.00 0.00 N ATOM 1110 CA GLY A 67 -4.736 -2.156 -0.276 1.00 0.00 C ATOM 1111 C GLY A 67 -4.775 -2.220 -1.775 1.00 0.00 C ATOM 1112 O GLY A 67 -5.673 -2.820 -2.357 1.00 0.00 O ATOM 0 H GLY A 67 -5.824 -3.868 0.086 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.776 -1.115 0.044 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.790 -2.563 0.080 1.00 0.00 H new ATOM 1116 N ARG A 68 -3.810 -1.615 -2.378 1.00 0.00 N ATOM 1117 CA ARG A 68 -3.653 -1.552 -3.803 1.00 0.00 C ATOM 1118 C ARG A 68 -2.170 -1.419 -4.055 1.00 0.00 C ATOM 1119 O ARG A 68 -1.491 -0.804 -3.252 1.00 0.00 O ATOM 1120 CB ARG A 68 -4.373 -0.306 -4.376 1.00 0.00 C ATOM 1121 CG ARG A 68 -3.751 1.027 -3.929 1.00 0.00 C ATOM 1122 CD ARG A 68 -4.436 2.244 -4.505 1.00 0.00 C ATOM 1123 NE ARG A 68 -3.728 3.475 -4.102 1.00 0.00 N ATOM 1124 CZ ARG A 68 -4.205 4.724 -4.194 1.00 0.00 C ATOM 1125 NH1 ARG A 68 -5.312 4.977 -4.873 1.00 0.00 N ATOM 1126 NH2 ARG A 68 -3.510 5.726 -3.696 1.00 0.00 N ATOM 0 H ARG A 68 -3.071 -1.126 -1.873 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.078 -2.436 -4.278 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.358 -0.357 -5.465 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.419 -0.329 -4.071 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.783 1.085 -2.841 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.700 1.042 -4.219 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.463 2.173 -5.592 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.470 2.283 -4.162 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.789 3.365 -3.718 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.813 4.217 -5.334 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.665 5.932 -4.936 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.613 5.549 -3.243 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.868 6.679 -3.763 1.00 0.00 H new ATOM 1140 N THR A 69 -1.663 -2.004 -5.092 1.00 0.00 N ATOM 1141 CA THR A 69 -0.270 -1.814 -5.436 1.00 0.00 C ATOM 1142 C THR A 69 -0.097 -0.473 -6.132 1.00 0.00 C ATOM 1143 O THR A 69 -1.095 0.192 -6.452 1.00 0.00 O ATOM 1144 CB THR A 69 0.218 -2.933 -6.366 1.00 0.00 C ATOM 1145 OG1 THR A 69 -0.719 -3.096 -7.452 1.00 0.00 O ATOM 1146 CG2 THR A 69 0.386 -4.241 -5.616 1.00 0.00 C ATOM 0 H THR A 69 -2.181 -2.618 -5.721 1.00 0.00 H new ATOM 0 HA THR A 69 0.319 -1.838 -4.519 1.00 0.00 H new ATOM 0 HB THR A 69 1.194 -2.653 -6.763 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.451 -3.861 -8.003 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.733 -5.013 -6.303 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.117 -4.111 -4.818 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.570 -4.540 -5.187 1.00 0.00 H new ATOM 1154 N ALA A 70 1.140 -0.101 -6.427 1.00 0.00 N ATOM 1155 CA ALA A 70 1.414 1.137 -7.154 1.00 0.00 C ATOM 1156 C ALA A 70 0.966 0.983 -8.614 1.00 0.00 C ATOM 1157 O ALA A 70 0.892 1.943 -9.384 1.00 0.00 O ATOM 1158 CB ALA A 70 2.898 1.486 -7.070 1.00 0.00 C ATOM 0 H ALA A 70 1.971 -0.636 -6.176 1.00 0.00 H new ATOM 0 HA ALA A 70 0.854 1.955 -6.700 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.086 2.410 -7.616 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.182 1.617 -6.026 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.487 0.680 -7.508 1.00 0.00 H new ATOM 1164 N ARG A 71 0.657 -0.250 -8.963 1.00 0.00 N ATOM 1165 CA ARG A 71 0.181 -0.634 -10.268 1.00 0.00 C ATOM 1166 C ARG A 71 -1.349 -0.481 -10.316 1.00 0.00 C ATOM 1167 O ARG A 71 -1.955 -0.484 -11.380 1.00 0.00 O ATOM 1168 CB ARG A 71 0.568 -2.091 -10.493 1.00 0.00 C ATOM 1169 CG ARG A 71 0.331 -2.637 -11.889 1.00 0.00 C ATOM 1170 CD ARG A 71 0.724 -4.100 -11.946 1.00 0.00 C ATOM 1171 NE ARG A 71 2.108 -4.306 -11.493 1.00 0.00 N ATOM 1172 CZ ARG A 71 2.501 -5.210 -10.581 1.00 0.00 C ATOM 1173 NH1 ARG A 71 1.627 -6.084 -10.075 1.00 0.00 N ATOM 1174 NH2 ARG A 71 3.771 -5.266 -10.216 1.00 0.00 N ATOM 0 H ARG A 71 0.735 -1.037 -8.319 1.00 0.00 H new ATOM 0 HA ARG A 71 0.619 -0.005 -11.043 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.625 -2.206 -10.255 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.013 -2.707 -9.785 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.719 -2.523 -12.160 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.911 -2.067 -12.615 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.046 -4.684 -11.324 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.616 -4.467 -12.967 1.00 0.00 H new ATOM 0 HE ARG A 71 2.829 -3.714 -11.905 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.654 -6.068 -10.381 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.932 -6.768 -9.383 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.449 -4.624 -10.627 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.073 -5.951 -9.524 1.00 0.00 H new ATOM 1188 N GLY A 72 -1.959 -0.336 -9.151 1.00 0.00 N ATOM 1189 CA GLY A 72 -3.393 -0.184 -9.076 1.00 0.00 C ATOM 1190 C GLY A 72 -4.122 -1.509 -9.043 1.00 0.00 C ATOM 1191 O GLY A 72 -5.205 -1.645 -9.612 1.00 0.00 O ATOM 0 H GLY A 72 -1.481 -0.321 -8.250 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.647 0.388 -8.183 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.738 0.394 -9.933 1.00 0.00 H new ATOM 1195 N SER A 73 -3.515 -2.489 -8.432 1.00 0.00 N ATOM 1196 CA SER A 73 -4.129 -3.765 -8.258 1.00 0.00 C ATOM 1197 C SER A 73 -4.521 -3.879 -6.795 1.00 0.00 C ATOM 1198 O SER A 73 -3.661 -3.863 -5.913 1.00 0.00 O ATOM 1199 CB SER A 73 -3.145 -4.855 -8.649 1.00 0.00 C ATOM 1200 OG SER A 73 -2.596 -4.595 -9.948 1.00 0.00 O ATOM 0 H SER A 73 -2.576 -2.419 -8.041 1.00 0.00 H new ATOM 0 HA SER A 73 -5.012 -3.875 -8.887 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.343 -4.910 -7.913 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.646 -5.823 -8.647 1.00 0.00 H new ATOM 0 HG SER A 73 -1.963 -5.305 -10.184 1.00 0.00 H new ATOM 1206 N TYR A 74 -5.791 -3.913 -6.549 1.00 0.00 N ATOM 1207 CA TYR A 74 -6.330 -3.936 -5.197 1.00 0.00 C ATOM 1208 C TYR A 74 -6.341 -5.337 -4.620 1.00 0.00 C ATOM 1209 O TYR A 74 -6.503 -6.328 -5.354 1.00 0.00 O ATOM 1210 CB TYR A 74 -7.741 -3.342 -5.167 1.00 0.00 C ATOM 1211 CG TYR A 74 -7.807 -1.880 -5.546 1.00 0.00 C ATOM 1212 CD1 TYR A 74 -7.756 -1.481 -6.871 1.00 0.00 C ATOM 1213 CD2 TYR A 74 -7.928 -0.900 -4.576 1.00 0.00 C ATOM 1214 CE1 TYR A 74 -7.821 -0.158 -7.221 1.00 0.00 C ATOM 1215 CE2 TYR A 74 -7.997 0.437 -4.920 1.00 0.00 C ATOM 1216 CZ TYR A 74 -7.943 0.799 -6.242 1.00 0.00 C ATOM 1217 OH TYR A 74 -8.010 2.130 -6.596 1.00 0.00 O ATOM 0 H TYR A 74 -6.504 -3.926 -7.278 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.675 -3.325 -4.577 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.377 -3.911 -5.846 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.153 -3.465 -4.166 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.663 -2.229 -7.645 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.969 -1.184 -3.535 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.777 0.131 -8.261 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.093 1.191 -4.153 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.425 2.213 -7.480 1.00 0.00 H new ATOM 1227 N GLY A 75 -6.159 -5.420 -3.326 1.00 0.00 N ATOM 1228 CA GLY A 75 -6.166 -6.697 -2.653 1.00 0.00 C ATOM 1229 C GLY A 75 -6.198 -6.557 -1.161 1.00 0.00 C ATOM 1230 O GLY A 75 -5.782 -5.525 -0.627 1.00 0.00 O ATOM 0 H GLY A 75 -6.004 -4.618 -2.716 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.032 -7.272 -2.980 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.280 -7.262 -2.943 1.00 0.00 H new ATOM 1234 N TYR A 76 -6.719 -7.563 -0.480 1.00 0.00 N ATOM 1235 CA TYR A 76 -6.683 -7.582 0.959 1.00 0.00 C ATOM 1236 C TYR A 76 -5.289 -7.874 1.464 1.00 0.00 C ATOM 1237 O TYR A 76 -4.491 -8.543 0.813 1.00 0.00 O ATOM 1238 CB TYR A 76 -7.703 -8.542 1.574 1.00 0.00 C ATOM 1239 CG TYR A 76 -9.111 -7.997 1.627 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -9.391 -6.838 2.334 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -10.153 -8.633 0.985 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -10.661 -6.328 2.398 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -11.434 -8.130 1.042 1.00 0.00 C ATOM 1244 CZ TYR A 76 -11.680 -6.974 1.750 1.00 0.00 C ATOM 1245 OH TYR A 76 -12.952 -6.468 1.809 1.00 0.00 O ATOM 0 H TYR A 76 -7.170 -8.373 -0.906 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.969 -6.582 1.285 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.705 -9.469 1.000 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.384 -8.794 2.585 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.590 -6.325 2.846 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.962 -9.539 0.429 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.857 -5.424 2.955 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.241 -8.639 0.535 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.557 -7.043 1.296 1.00 0.00 H new ATOM 1255 N ILE A 77 -4.989 -7.346 2.585 1.00 0.00 N ATOM 1256 CA ILE A 77 -3.691 -7.449 3.147 1.00 0.00 C ATOM 1257 C ILE A 77 -3.787 -7.908 4.570 1.00 0.00 C ATOM 1258 O ILE A 77 -4.618 -7.402 5.315 1.00 0.00 O ATOM 1259 CB ILE A 77 -3.046 -6.052 3.189 1.00 0.00 C ATOM 1260 CG1 ILE A 77 -3.055 -5.400 1.822 1.00 0.00 C ATOM 1261 CG2 ILE A 77 -1.641 -6.170 3.677 1.00 0.00 C ATOM 1262 CD1 ILE A 77 -2.668 -3.964 1.834 1.00 0.00 C ATOM 0 H ILE A 77 -5.649 -6.817 3.155 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.110 -8.148 2.545 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.627 -5.427 3.867 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.374 -5.944 1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.053 -5.493 1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.182 -5.182 3.708 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.638 -6.602 4.678 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.074 -6.812 3.003 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.699 -3.570 0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.363 -3.405 2.461 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.658 -3.863 2.232 1.00 0.00 H new ATOM 1274 N LYS A 78 -2.971 -8.865 4.959 1.00 0.00 N ATOM 1275 CA LYS A 78 -2.862 -9.166 6.357 1.00 0.00 C ATOM 1276 C LYS A 78 -2.203 -7.953 6.984 1.00 0.00 C ATOM 1277 O LYS A 78 -1.243 -7.439 6.428 1.00 0.00 O ATOM 1278 CB LYS A 78 -1.960 -10.366 6.638 1.00 0.00 C ATOM 1279 CG LYS A 78 -2.332 -11.655 5.947 1.00 0.00 C ATOM 1280 CD LYS A 78 -1.505 -12.818 6.486 1.00 0.00 C ATOM 1281 CE LYS A 78 -0.020 -12.664 6.208 1.00 0.00 C ATOM 1282 NZ LYS A 78 0.772 -13.713 6.877 1.00 0.00 N ATOM 0 H LYS A 78 -2.390 -9.431 4.340 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.851 -9.400 6.750 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.942 -10.104 6.350 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.951 -10.544 7.713 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.393 -11.858 6.094 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.172 -11.556 4.873 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.662 -12.901 7.561 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.859 -13.747 6.039 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.155 -12.706 5.133 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.314 -11.684 6.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.781 -13.575 6.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.624 -13.657 7.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.470 -14.647 6.534 1.00 0.00 H new ATOM 1296 N THR A 79 -2.639 -7.544 8.129 1.00 0.00 N ATOM 1297 CA THR A 79 -2.126 -6.326 8.754 1.00 0.00 C ATOM 1298 C THR A 79 -0.643 -6.476 9.170 1.00 0.00 C ATOM 1299 O THR A 79 0.042 -5.508 9.485 1.00 0.00 O ATOM 1300 CB THR A 79 -2.989 -5.976 9.967 1.00 0.00 C ATOM 1301 OG1 THR A 79 -3.008 -7.096 10.866 1.00 0.00 O ATOM 1302 CG2 THR A 79 -4.405 -5.697 9.518 1.00 0.00 C ATOM 0 H THR A 79 -3.356 -8.026 8.671 1.00 0.00 H new ATOM 0 HA THR A 79 -2.176 -5.519 8.023 1.00 0.00 H new ATOM 0 HB THR A 79 -2.577 -5.097 10.462 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.558 -6.879 11.647 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.019 -5.448 10.384 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.407 -4.861 8.819 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.812 -6.581 9.027 1.00 0.00 H new ATOM 1310 N THR A 80 -0.183 -7.699 9.130 1.00 0.00 N ATOM 1311 CA THR A 80 1.159 -8.076 9.473 1.00 0.00 C ATOM 1312 C THR A 80 1.996 -8.282 8.196 1.00 0.00 C ATOM 1313 O THR A 80 3.229 -8.236 8.223 1.00 0.00 O ATOM 1314 CB THR A 80 1.111 -9.373 10.315 1.00 0.00 C ATOM 1315 OG1 THR A 80 2.414 -9.939 10.551 1.00 0.00 O ATOM 1316 CG2 THR A 80 0.209 -10.400 9.659 1.00 0.00 C ATOM 0 H THR A 80 -0.759 -8.491 8.845 1.00 0.00 H new ATOM 0 HA THR A 80 1.630 -7.285 10.057 1.00 0.00 H new ATOM 0 HB THR A 80 0.703 -9.096 11.287 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.324 -10.754 11.088 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.188 -11.306 10.265 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.800 -9.996 9.574 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.590 -10.637 8.666 1.00 0.00 H new ATOM 1324 N ALA A 81 1.306 -8.455 7.068 1.00 0.00 N ATOM 1325 CA ALA A 81 1.961 -8.674 5.771 1.00 0.00 C ATOM 1326 C ALA A 81 2.557 -7.375 5.273 1.00 0.00 C ATOM 1327 O ALA A 81 3.362 -7.366 4.350 1.00 0.00 O ATOM 1328 CB ALA A 81 0.979 -9.247 4.726 1.00 0.00 C ATOM 0 H ALA A 81 0.287 -8.448 7.023 1.00 0.00 H new ATOM 0 HA ALA A 81 2.754 -9.408 5.913 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.500 -9.395 3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.588 -10.202 5.079 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.154 -8.549 4.581 1.00 0.00 H new ATOM 1334 N VAL A 82 2.155 -6.279 5.897 1.00 0.00 N ATOM 1335 CA VAL A 82 2.638 -4.961 5.518 1.00 0.00 C ATOM 1336 C VAL A 82 2.995 -4.136 6.711 1.00 0.00 C ATOM 1337 O VAL A 82 2.575 -4.425 7.832 1.00 0.00 O ATOM 1338 CB VAL A 82 1.625 -4.153 4.665 1.00 0.00 C ATOM 1339 CG1 VAL A 82 1.381 -4.839 3.380 1.00 0.00 C ATOM 1340 CG2 VAL A 82 0.308 -3.949 5.389 1.00 0.00 C ATOM 0 H VAL A 82 1.492 -6.277 6.672 1.00 0.00 H new ATOM 0 HA VAL A 82 3.523 -5.159 4.914 1.00 0.00 H new ATOM 0 HB VAL A 82 2.064 -3.172 4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.668 -4.263 2.790 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.319 -4.928 2.831 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.976 -5.833 3.569 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.371 -3.379 4.755 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.136 -4.918 5.617 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.483 -3.403 6.316 1.00 0.00 H new ATOM 1350 N GLU A 83 3.764 -3.124 6.453 1.00 0.00 N ATOM 1351 CA GLU A 83 4.142 -2.145 7.409 1.00 0.00 C ATOM 1352 C GLU A 83 3.437 -0.855 7.026 1.00 0.00 C ATOM 1353 O GLU A 83 3.668 -0.318 5.949 1.00 0.00 O ATOM 1354 CB GLU A 83 5.655 -1.932 7.365 1.00 0.00 C ATOM 1355 CG GLU A 83 6.484 -3.160 7.712 1.00 0.00 C ATOM 1356 CD GLU A 83 6.305 -3.587 9.140 1.00 0.00 C ATOM 1357 OE1 GLU A 83 6.877 -2.921 10.043 1.00 0.00 O ATOM 1358 OE2 GLU A 83 5.609 -4.588 9.399 1.00 0.00 O ATOM 0 H GLU A 83 4.160 -2.956 5.528 1.00 0.00 H new ATOM 0 HA GLU A 83 3.868 -2.460 8.416 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.931 -1.595 6.366 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.915 -1.129 8.055 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.205 -3.982 7.052 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.537 -2.948 7.529 1.00 0.00 H new ATOM 1365 N ILE A 84 2.544 -0.432 7.845 1.00 0.00 N ATOM 1366 CA ILE A 84 1.819 0.807 7.637 1.00 0.00 C ATOM 1367 C ILE A 84 2.611 2.005 8.174 1.00 0.00 C ATOM 1368 O ILE A 84 3.281 1.909 9.219 1.00 0.00 O ATOM 1369 CB ILE A 84 0.354 0.722 8.213 1.00 0.00 C ATOM 1370 CG1 ILE A 84 -0.654 0.481 7.116 1.00 0.00 C ATOM 1371 CG2 ILE A 84 -0.063 1.904 9.022 1.00 0.00 C ATOM 1372 CD1 ILE A 84 -0.515 -0.813 6.438 1.00 0.00 C ATOM 0 H ILE A 84 2.279 -0.930 8.695 1.00 0.00 H new ATOM 0 HA ILE A 84 1.710 0.965 6.564 1.00 0.00 H new ATOM 0 HB ILE A 84 0.376 -0.129 8.894 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.656 0.550 7.539 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.565 1.276 6.376 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.083 1.760 9.378 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.606 2.016 9.875 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.017 2.802 8.405 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.278 -0.903 5.665 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.473 -0.881 5.982 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.636 -1.618 7.163 1.00 0.00 H new ATOM 1384 N ASP A 85 2.568 3.099 7.437 1.00 0.00 N ATOM 1385 CA ASP A 85 3.311 4.313 7.759 1.00 0.00 C ATOM 1386 C ASP A 85 2.640 5.122 8.865 1.00 0.00 C ATOM 1387 O ASP A 85 1.417 5.030 9.104 1.00 0.00 O ATOM 1388 CB ASP A 85 3.465 5.216 6.524 1.00 0.00 C ATOM 1389 CG ASP A 85 2.211 6.016 6.214 1.00 0.00 C ATOM 1390 OD1 ASP A 85 1.117 5.437 6.110 1.00 0.00 O ATOM 1391 OD2 ASP A 85 2.283 7.244 6.150 1.00 0.00 O ATOM 0 H ASP A 85 2.010 3.175 6.586 1.00 0.00 H new ATOM 0 HA ASP A 85 4.291 3.983 8.104 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.297 5.902 6.684 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.720 4.601 5.661 1.00 0.00 H new