USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 497 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 19 HIS : no HD1:sc= -0.0188 X(o=-0.019,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.0943 X(o=-0.094,f=-0.28) USER MOD Single : A 29 THR OG1 : rot 77:sc= 1.09 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -1.22 K(o=-1.2,f=-2.1) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot 140:sc= -0.0832 USER MOD Single : A 45 GLN : amide:sc= -0.262 K(o=-0.26,f=-3.4!) USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0351) USER MOD Single : A 52 ASN : amide:sc= -2.58 K(o=-2.6,f=-8!) USER MOD Single : A 53 GLN : amide:sc= -0.0111 X(o=-0.011,f=-0.011) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -114:sc= -1.69 (180deg=-3.57!) USER MOD Single : A 59 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00886) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -132:sc= 0.566 (180deg=-0.038) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 140:sc= 0.0173 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= -0.585 USER MOD ----------------------------------------------------------------- ATOM 248 N GLU A 17 -4.527 -11.391 -3.415 1.00 0.00 N ATOM 249 CA GLU A 17 -3.244 -10.662 -3.287 1.00 0.00 C ATOM 250 C GLU A 17 -3.133 -9.509 -4.306 1.00 0.00 C ATOM 251 O GLU A 17 -2.777 -8.386 -3.939 1.00 0.00 O ATOM 252 CB GLU A 17 -2.039 -11.632 -3.453 1.00 0.00 C ATOM 253 CG GLU A 17 -0.670 -10.955 -3.223 1.00 0.00 C ATOM 254 CD GLU A 17 0.513 -11.931 -3.284 1.00 0.00 C ATOM 255 OE1 GLU A 17 0.731 -12.676 -2.298 1.00 0.00 O ATOM 256 OE2 GLU A 17 1.231 -11.955 -4.308 1.00 0.00 O ATOM 0 HA GLU A 17 -3.221 -10.230 -2.286 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.149 -12.459 -2.752 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.061 -12.059 -4.456 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.528 -10.177 -3.973 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.675 -10.463 -2.250 1.00 0.00 H new ATOM 263 N GLY A 18 -3.432 -9.824 -5.579 1.00 0.00 N ATOM 264 CA GLY A 18 -3.393 -8.852 -6.675 1.00 0.00 C ATOM 265 C GLY A 18 -4.448 -7.758 -6.593 1.00 0.00 C ATOM 266 O GLY A 18 -4.224 -6.655 -7.092 1.00 0.00 O ATOM 0 H GLY A 18 -3.707 -10.761 -5.872 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.408 -8.387 -6.695 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.513 -9.384 -7.619 1.00 0.00 H new ATOM 270 N HIS A 19 -5.613 -8.071 -5.982 1.00 0.00 N ATOM 271 CA HIS A 19 -6.710 -7.090 -5.770 1.00 0.00 C ATOM 272 C HIS A 19 -6.349 -6.151 -4.619 1.00 0.00 C ATOM 273 O HIS A 19 -6.648 -4.954 -4.653 1.00 0.00 O ATOM 274 CB HIS A 19 -8.064 -7.798 -5.473 1.00 0.00 C ATOM 275 CG HIS A 19 -8.659 -8.514 -6.656 1.00 0.00 C ATOM 276 ND1 HIS A 19 -9.209 -9.778 -6.595 1.00 0.00 N ATOM 277 CD2 HIS A 19 -8.778 -8.126 -7.940 1.00 0.00 C ATOM 278 CE1 HIS A 19 -9.633 -10.128 -7.796 1.00 0.00 C ATOM 279 NE2 HIS A 19 -9.379 -9.144 -8.625 1.00 0.00 N ATOM 0 H HIS A 19 -5.822 -9.003 -5.623 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.829 -6.516 -6.689 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -7.917 -8.515 -4.665 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -8.778 -7.056 -5.115 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.457 -7.181 -8.353 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -10.107 -11.064 -8.051 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -9.596 -9.139 -9.622 1.00 0.00 H new ATOM 288 N LEU A 20 -5.725 -6.744 -3.600 1.00 0.00 N ATOM 289 CA LEU A 20 -5.217 -6.041 -2.421 1.00 0.00 C ATOM 290 C LEU A 20 -4.090 -5.072 -2.838 1.00 0.00 C ATOM 291 O LEU A 20 -4.064 -3.916 -2.409 1.00 0.00 O ATOM 292 CB LEU A 20 -4.746 -7.108 -1.371 1.00 0.00 C ATOM 293 CG LEU A 20 -4.346 -6.605 0.063 1.00 0.00 C ATOM 294 CD1 LEU A 20 -2.872 -6.148 0.147 1.00 0.00 C ATOM 295 CD2 LEU A 20 -5.305 -5.491 0.535 1.00 0.00 C ATOM 0 H LEU A 20 -5.555 -7.749 -3.571 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.995 -5.434 -1.958 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.546 -7.840 -1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.889 -7.635 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.441 -7.456 0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.653 -5.811 1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.218 -6.982 -0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.705 -5.328 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.012 -5.156 1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.258 -4.652 -0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.324 -5.878 0.568 1.00 0.00 H new ATOM 307 N GLU A 21 -3.197 -5.568 -3.713 1.00 0.00 N ATOM 308 CA GLU A 21 -2.092 -4.791 -4.301 1.00 0.00 C ATOM 309 C GLU A 21 -2.655 -3.670 -5.206 1.00 0.00 C ATOM 310 O GLU A 21 -2.155 -2.536 -5.191 1.00 0.00 O ATOM 311 CB GLU A 21 -1.157 -5.737 -5.113 1.00 0.00 C ATOM 312 CG GLU A 21 0.011 -5.022 -5.813 1.00 0.00 C ATOM 313 CD GLU A 21 0.896 -5.962 -6.638 1.00 0.00 C ATOM 314 OE1 GLU A 21 0.598 -6.178 -7.833 1.00 0.00 O ATOM 315 OE2 GLU A 21 1.886 -6.499 -6.097 1.00 0.00 O ATOM 0 H GLU A 21 -3.224 -6.535 -4.036 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.512 -4.328 -3.503 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.754 -6.495 -4.441 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.750 -6.259 -5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.387 -4.245 -6.465 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.624 -4.524 -5.062 1.00 0.00 H new ATOM 322 N GLN A 22 -3.719 -4.015 -5.972 1.00 0.00 N ATOM 323 CA GLN A 22 -4.433 -3.072 -6.857 1.00 0.00 C ATOM 324 C GLN A 22 -5.054 -1.937 -6.032 1.00 0.00 C ATOM 325 O GLN A 22 -5.030 -0.784 -6.461 1.00 0.00 O ATOM 326 CB GLN A 22 -5.527 -3.804 -7.701 1.00 0.00 C ATOM 327 CG GLN A 22 -6.208 -2.929 -8.766 1.00 0.00 C ATOM 328 CD GLN A 22 -7.274 -3.664 -9.592 1.00 0.00 C ATOM 329 OE1 GLN A 22 -6.973 -4.259 -10.627 1.00 0.00 O ATOM 330 NE2 GLN A 22 -8.522 -3.638 -9.131 1.00 0.00 N ATOM 0 H GLN A 22 -4.104 -4.959 -5.991 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.710 -2.645 -7.552 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.072 -4.664 -8.193 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -6.290 -4.190 -7.025 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -6.670 -2.072 -8.276 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.447 -2.538 -9.441 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.737 -3.135 -8.270 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -9.263 -4.121 -9.639 1.00 0.00 H new ATOM 339 N ARG A 23 -5.580 -2.269 -4.826 1.00 0.00 N ATOM 340 CA ARG A 23 -6.108 -1.266 -3.883 1.00 0.00 C ATOM 341 C ARG A 23 -4.998 -0.327 -3.406 1.00 0.00 C ATOM 342 O ARG A 23 -5.151 0.882 -3.507 1.00 0.00 O ATOM 343 CB ARG A 23 -6.801 -1.928 -2.646 1.00 0.00 C ATOM 344 CG ARG A 23 -8.218 -2.457 -2.906 1.00 0.00 C ATOM 345 CD ARG A 23 -9.195 -1.355 -3.364 1.00 0.00 C ATOM 346 NE ARG A 23 -9.340 -0.258 -2.375 1.00 0.00 N ATOM 347 CZ ARG A 23 -9.787 0.987 -2.654 1.00 0.00 C ATOM 348 NH1 ARG A 23 -10.143 1.327 -3.884 1.00 0.00 N ATOM 349 NH2 ARG A 23 -9.877 1.897 -1.687 1.00 0.00 N ATOM 0 H ARG A 23 -5.647 -3.229 -4.488 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.859 -0.692 -4.425 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.179 -2.753 -2.298 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.844 -1.198 -1.838 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.175 -3.237 -3.666 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.600 -2.919 -1.996 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.847 -0.940 -4.310 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.173 -1.799 -3.551 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.082 -0.459 -1.409 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.082 0.645 -4.640 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.478 2.271 -4.075 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.608 1.656 -0.733 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.215 2.836 -1.900 1.00 0.00 H new ATOM 363 N ILE A 24 -3.870 -0.908 -2.932 1.00 0.00 N ATOM 364 CA ILE A 24 -2.749 -0.136 -2.349 1.00 0.00 C ATOM 365 C ILE A 24 -2.245 0.918 -3.353 1.00 0.00 C ATOM 366 O ILE A 24 -2.252 2.118 -3.057 1.00 0.00 O ATOM 367 CB ILE A 24 -1.547 -1.065 -1.910 1.00 0.00 C ATOM 368 CG1 ILE A 24 -1.977 -2.075 -0.795 1.00 0.00 C ATOM 369 CG2 ILE A 24 -0.330 -0.219 -1.449 1.00 0.00 C ATOM 370 CD1 ILE A 24 -0.906 -3.084 -0.407 1.00 0.00 C ATOM 0 H ILE A 24 -3.713 -1.916 -2.943 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.133 0.358 -1.456 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.248 -1.646 -2.783 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.267 -1.514 0.093 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.861 -2.615 -1.134 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.483 -0.882 -1.152 1.00 0.00 H new ATOM 0 HG22 ILE A 24 0.002 0.418 -2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.619 0.402 -0.601 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.292 -3.743 0.371 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.630 -3.676 -1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.028 -2.557 -0.034 1.00 0.00 H new ATOM 382 N LEU A 25 -1.898 0.457 -4.573 1.00 0.00 N ATOM 383 CA LEU A 25 -1.323 1.296 -5.635 1.00 0.00 C ATOM 384 C LEU A 25 -2.327 2.365 -6.117 1.00 0.00 C ATOM 385 O LEU A 25 -1.931 3.491 -6.413 1.00 0.00 O ATOM 386 CB LEU A 25 -0.864 0.381 -6.809 1.00 0.00 C ATOM 387 CG LEU A 25 0.317 -0.586 -6.475 1.00 0.00 C ATOM 388 CD1 LEU A 25 0.560 -1.623 -7.599 1.00 0.00 C ATOM 389 CD2 LEU A 25 1.594 0.216 -6.151 1.00 0.00 C ATOM 0 H LEU A 25 -2.012 -0.519 -4.847 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.461 1.833 -5.238 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.716 -0.212 -7.141 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.570 1.012 -7.647 1.00 0.00 H new ATOM 0 HG LEU A 25 0.039 -1.156 -5.589 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.390 -2.273 -7.321 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.339 -2.223 -7.741 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.800 -1.104 -8.527 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.407 -0.472 -5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.868 0.827 -7.011 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.410 0.861 -5.292 1.00 0.00 H new ATOM 401 N GLN A 26 -3.627 1.998 -6.144 1.00 0.00 N ATOM 402 CA GLN A 26 -4.719 2.906 -6.560 1.00 0.00 C ATOM 403 C GLN A 26 -4.864 4.067 -5.553 1.00 0.00 C ATOM 404 O GLN A 26 -4.912 5.229 -5.944 1.00 0.00 O ATOM 405 CB GLN A 26 -6.064 2.119 -6.682 1.00 0.00 C ATOM 406 CG GLN A 26 -7.251 2.926 -7.261 1.00 0.00 C ATOM 407 CD GLN A 26 -7.024 3.423 -8.698 1.00 0.00 C ATOM 408 OE1 GLN A 26 -6.326 2.794 -9.498 1.00 0.00 O ATOM 409 NE2 GLN A 26 -7.612 4.552 -9.038 1.00 0.00 N ATOM 0 H GLN A 26 -3.948 1.067 -5.879 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.472 3.323 -7.536 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.899 1.245 -7.312 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.343 1.752 -5.694 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.146 2.304 -7.239 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.443 3.784 -6.616 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.184 5.054 -8.359 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.495 4.924 -9.980 1.00 0.00 H new ATOM 418 N VAL A 27 -4.884 3.715 -4.252 1.00 0.00 N ATOM 419 CA VAL A 27 -4.998 4.670 -3.126 1.00 0.00 C ATOM 420 C VAL A 27 -3.824 5.678 -3.126 1.00 0.00 C ATOM 421 O VAL A 27 -4.018 6.881 -2.905 1.00 0.00 O ATOM 422 CB VAL A 27 -5.059 3.876 -1.761 1.00 0.00 C ATOM 423 CG1 VAL A 27 -4.958 4.800 -0.529 1.00 0.00 C ATOM 424 CG2 VAL A 27 -6.338 3.003 -1.697 1.00 0.00 C ATOM 0 H VAL A 27 -4.820 2.744 -3.947 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.918 5.242 -3.245 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.186 3.225 -1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.005 4.201 0.380 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.013 5.342 -0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.784 5.511 -0.538 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.363 2.463 -0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.218 3.641 -1.775 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.333 2.290 -2.521 1.00 0.00 H new ATOM 434 N LEU A 28 -2.620 5.155 -3.415 1.00 0.00 N ATOM 435 CA LEU A 28 -1.383 5.954 -3.502 1.00 0.00 C ATOM 436 C LEU A 28 -1.444 6.930 -4.702 1.00 0.00 C ATOM 437 O LEU A 28 -1.004 8.082 -4.592 1.00 0.00 O ATOM 438 CB LEU A 28 -0.153 5.017 -3.616 1.00 0.00 C ATOM 439 CG LEU A 28 0.121 4.102 -2.380 1.00 0.00 C ATOM 440 CD1 LEU A 28 1.181 3.038 -2.705 1.00 0.00 C ATOM 441 CD2 LEU A 28 0.515 4.919 -1.129 1.00 0.00 C ATOM 0 H LEU A 28 -2.476 4.162 -3.596 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.286 6.547 -2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.283 4.382 -4.492 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.731 5.629 -3.794 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.812 3.590 -2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.352 2.415 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.831 2.416 -3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.112 3.527 -2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.696 4.242 -0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.421 5.489 -1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.293 5.604 -0.872 1.00 0.00 H new ATOM 453 N THR A 29 -2.021 6.456 -5.829 1.00 0.00 N ATOM 454 CA THR A 29 -2.164 7.232 -7.074 1.00 0.00 C ATOM 455 C THR A 29 -3.173 8.392 -6.914 1.00 0.00 C ATOM 456 O THR A 29 -2.846 9.544 -7.222 1.00 0.00 O ATOM 457 CB THR A 29 -2.610 6.272 -8.242 1.00 0.00 C ATOM 458 OG1 THR A 29 -1.586 5.291 -8.478 1.00 0.00 O ATOM 459 CG2 THR A 29 -2.902 7.015 -9.557 1.00 0.00 C ATOM 0 H THR A 29 -2.404 5.513 -5.897 1.00 0.00 H new ATOM 0 HA THR A 29 -1.197 7.676 -7.313 1.00 0.00 H new ATOM 0 HB THR A 29 -3.539 5.800 -7.921 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.628 4.600 -7.784 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.204 6.298 -10.321 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.705 7.735 -9.398 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.005 7.539 -9.886 1.00 0.00 H new ATOM 467 N GLU A 30 -4.382 8.085 -6.392 1.00 0.00 N ATOM 468 CA GLU A 30 -5.492 9.060 -6.303 1.00 0.00 C ATOM 469 C GLU A 30 -5.165 10.172 -5.309 1.00 0.00 C ATOM 470 O GLU A 30 -5.462 11.348 -5.551 1.00 0.00 O ATOM 471 CB GLU A 30 -6.824 8.361 -5.905 1.00 0.00 C ATOM 472 CG GLU A 30 -7.251 7.224 -6.848 1.00 0.00 C ATOM 473 CD GLU A 30 -7.260 7.625 -8.332 1.00 0.00 C ATOM 474 OE1 GLU A 30 -8.228 8.275 -8.778 1.00 0.00 O ATOM 475 OE2 GLU A 30 -6.305 7.288 -9.060 1.00 0.00 O ATOM 0 H GLU A 30 -4.614 7.163 -6.024 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.618 9.503 -7.291 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.723 7.961 -4.896 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.617 9.108 -5.874 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.576 6.379 -6.713 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.248 6.885 -6.566 1.00 0.00 H new ATOM 482 N ALA A 31 -4.549 9.771 -4.185 1.00 0.00 N ATOM 483 CA ALA A 31 -4.035 10.701 -3.177 1.00 0.00 C ATOM 484 C ALA A 31 -2.944 11.598 -3.783 1.00 0.00 C ATOM 485 O ALA A 31 -2.908 12.813 -3.534 1.00 0.00 O ATOM 486 CB ALA A 31 -3.484 9.922 -1.984 1.00 0.00 C ATOM 0 H ALA A 31 -4.395 8.790 -3.953 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.851 11.338 -2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.103 10.620 -1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.279 9.319 -1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.676 9.270 -2.317 1.00 0.00 H new ATOM 492 N GLY A 32 -2.064 10.966 -4.593 1.00 0.00 N ATOM 493 CA GLY A 32 -0.889 11.632 -5.174 1.00 0.00 C ATOM 494 C GLY A 32 0.039 12.197 -4.108 1.00 0.00 C ATOM 495 O GLY A 32 0.737 13.194 -4.322 1.00 0.00 O ATOM 0 H GLY A 32 -2.153 9.985 -4.858 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.340 10.922 -5.792 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.218 12.438 -5.831 1.00 0.00 H new ATOM 499 N SER A 33 0.022 11.525 -2.952 1.00 0.00 N ATOM 500 CA SER A 33 0.724 11.925 -1.730 1.00 0.00 C ATOM 501 C SER A 33 1.068 10.646 -0.941 1.00 0.00 C ATOM 502 O SER A 33 0.392 9.619 -1.114 1.00 0.00 O ATOM 503 CB SER A 33 -0.174 12.867 -0.888 1.00 0.00 C ATOM 504 OG SER A 33 -0.472 14.069 -1.591 1.00 0.00 O ATOM 0 H SER A 33 -0.500 10.656 -2.839 1.00 0.00 H new ATOM 0 HA SER A 33 1.638 12.467 -1.972 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.101 12.355 -0.632 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.327 13.107 0.050 1.00 0.00 H new ATOM 0 HG SER A 33 -1.041 14.641 -1.035 1.00 0.00 H new ATOM 510 N PRO A 34 2.144 10.657 -0.087 1.00 0.00 N ATOM 511 CA PRO A 34 2.488 9.496 0.762 1.00 0.00 C ATOM 512 C PRO A 34 1.337 9.154 1.747 1.00 0.00 C ATOM 513 O PRO A 34 1.021 9.934 2.650 1.00 0.00 O ATOM 514 CB PRO A 34 3.787 9.944 1.488 1.00 0.00 C ATOM 515 CG PRO A 34 3.788 11.441 1.407 1.00 0.00 C ATOM 516 CD PRO A 34 3.117 11.776 0.099 1.00 0.00 C ATOM 0 HA PRO A 34 2.636 8.577 0.194 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.795 9.606 2.524 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.671 9.523 1.008 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.250 11.879 2.247 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.804 11.835 1.439 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.615 12.742 0.141 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.835 11.825 -0.720 1.00 0.00 H new ATOM 524 N VAL A 35 0.727 7.970 1.549 1.00 0.00 N ATOM 525 CA VAL A 35 -0.434 7.494 2.320 1.00 0.00 C ATOM 526 C VAL A 35 0.074 6.589 3.442 1.00 0.00 C ATOM 527 O VAL A 35 0.835 5.652 3.171 1.00 0.00 O ATOM 528 CB VAL A 35 -1.439 6.689 1.408 1.00 0.00 C ATOM 529 CG1 VAL A 35 -2.617 6.107 2.221 1.00 0.00 C ATOM 530 CG2 VAL A 35 -1.940 7.556 0.230 1.00 0.00 C ATOM 0 H VAL A 35 1.033 7.307 0.837 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.968 8.354 2.725 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.892 5.844 0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.284 5.561 1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.233 5.430 2.984 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.166 6.919 2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.631 6.975 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.451 8.437 0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.091 7.868 -0.379 1.00 0.00 H new ATOM 540 N LYS A 36 -0.350 6.870 4.687 1.00 0.00 N ATOM 541 CA LYS A 36 0.038 6.086 5.874 1.00 0.00 C ATOM 542 C LYS A 36 -0.368 4.616 5.730 1.00 0.00 C ATOM 543 O LYS A 36 -1.326 4.293 5.022 1.00 0.00 O ATOM 544 CB LYS A 36 -0.612 6.675 7.154 1.00 0.00 C ATOM 545 CG LYS A 36 -0.268 8.150 7.444 1.00 0.00 C ATOM 546 CD LYS A 36 -0.980 8.681 8.715 1.00 0.00 C ATOM 547 CE LYS A 36 -2.518 8.628 8.615 1.00 0.00 C ATOM 548 NZ LYS A 36 -3.174 9.170 9.842 1.00 0.00 N ATOM 0 H LYS A 36 -0.973 7.649 4.899 1.00 0.00 H new ATOM 0 HA LYS A 36 1.123 6.141 5.959 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.695 6.581 7.069 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.305 6.072 8.009 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.810 8.252 7.565 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.552 8.762 6.588 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.658 8.095 9.576 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.669 9.710 8.895 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.845 9.199 7.746 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.836 7.597 8.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.207 9.117 9.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.882 8.610 10.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.891 10.161 9.978 1.00 0.00 H new ATOM 562 N LEU A 37 0.358 3.762 6.441 1.00 0.00 N ATOM 563 CA LEU A 37 0.111 2.319 6.495 1.00 0.00 C ATOM 564 C LEU A 37 -1.226 2.038 7.216 1.00 0.00 C ATOM 565 O LEU A 37 -2.067 1.291 6.706 1.00 0.00 O ATOM 566 CB LEU A 37 1.309 1.642 7.208 1.00 0.00 C ATOM 567 CG LEU A 37 1.197 0.117 7.513 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.820 -0.707 6.261 1.00 0.00 C ATOM 569 CD2 LEU A 37 2.505 -0.403 8.161 1.00 0.00 C ATOM 0 H LEU A 37 1.152 4.055 7.009 1.00 0.00 H new ATOM 0 HA LEU A 37 0.025 1.905 5.490 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.197 1.798 6.595 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.477 2.162 8.151 1.00 0.00 H new ATOM 0 HG LEU A 37 0.382 -0.015 8.225 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.755 -1.762 6.526 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.143 -0.368 5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.582 -0.572 5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.410 -1.469 8.367 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.339 -0.238 7.479 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.687 0.132 9.093 1.00 0.00 H new ATOM 581 N ALA A 38 -1.391 2.636 8.413 1.00 0.00 N ATOM 582 CA ALA A 38 -2.686 2.688 9.137 1.00 0.00 C ATOM 583 C ALA A 38 -3.850 3.268 8.279 1.00 0.00 C ATOM 584 O ALA A 38 -5.011 2.904 8.495 1.00 0.00 O ATOM 585 CB ALA A 38 -2.523 3.484 10.437 1.00 0.00 C ATOM 0 H ALA A 38 -0.630 3.099 8.910 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.964 1.659 9.366 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.476 3.519 10.964 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.777 3.001 11.068 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.200 4.499 10.204 1.00 0.00 H new ATOM 591 N GLN A 39 -3.543 4.149 7.304 1.00 0.00 N ATOM 592 CA GLN A 39 -4.557 4.719 6.385 1.00 0.00 C ATOM 593 C GLN A 39 -4.846 3.722 5.236 1.00 0.00 C ATOM 594 O GLN A 39 -5.960 3.663 4.736 1.00 0.00 O ATOM 595 CB GLN A 39 -4.045 6.073 5.826 1.00 0.00 C ATOM 596 CG GLN A 39 -5.051 6.864 4.961 1.00 0.00 C ATOM 597 CD GLN A 39 -4.475 8.194 4.459 1.00 0.00 C ATOM 598 OE1 GLN A 39 -3.661 8.828 5.135 1.00 0.00 O ATOM 599 NE2 GLN A 39 -4.867 8.611 3.264 1.00 0.00 N ATOM 0 H GLN A 39 -2.595 4.484 7.130 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.486 4.894 6.927 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.743 6.700 6.665 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.151 5.885 5.231 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.349 6.255 4.107 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.952 7.058 5.543 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.542 8.064 2.729 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.494 9.479 2.879 1.00 0.00 H new ATOM 608 N LEU A 40 -3.825 2.920 4.856 1.00 0.00 N ATOM 609 CA LEU A 40 -3.972 1.846 3.851 1.00 0.00 C ATOM 610 C LEU A 40 -4.904 0.736 4.392 1.00 0.00 C ATOM 611 O LEU A 40 -5.517 0.013 3.609 1.00 0.00 O ATOM 612 CB LEU A 40 -2.581 1.247 3.437 1.00 0.00 C ATOM 613 CG LEU A 40 -1.643 2.183 2.596 1.00 0.00 C ATOM 614 CD1 LEU A 40 -0.216 1.590 2.460 1.00 0.00 C ATOM 615 CD2 LEU A 40 -2.267 2.488 1.211 1.00 0.00 C ATOM 0 H LEU A 40 -2.882 3.000 5.236 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.419 2.281 2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.050 0.956 4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.757 0.336 2.865 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.546 3.126 3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.404 2.266 1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.222 1.465 3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.270 0.622 1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.599 3.138 0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.414 1.556 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.228 2.984 1.346 1.00 0.00 H new ATOM 627 N VAL A 41 -4.977 0.591 5.740 1.00 0.00 N ATOM 628 CA VAL A 41 -5.911 -0.349 6.415 1.00 0.00 C ATOM 629 C VAL A 41 -7.376 -0.043 6.052 1.00 0.00 C ATOM 630 O VAL A 41 -8.103 -0.933 5.585 1.00 0.00 O ATOM 631 CB VAL A 41 -5.724 -0.327 7.989 1.00 0.00 C ATOM 632 CG1 VAL A 41 -6.670 -1.329 8.700 1.00 0.00 C ATOM 633 CG2 VAL A 41 -4.251 -0.582 8.374 1.00 0.00 C ATOM 0 H VAL A 41 -4.393 1.120 6.388 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.668 -1.349 6.056 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.997 0.670 8.333 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.508 -1.281 9.777 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.706 -1.073 8.477 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.462 -2.339 8.347 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.150 -0.562 9.459 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.940 -1.557 7.999 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.621 0.193 7.936 1.00 0.00 H new ATOM 643 N LYS A 42 -7.789 1.222 6.245 1.00 0.00 N ATOM 644 CA LYS A 42 -9.180 1.645 5.983 1.00 0.00 C ATOM 645 C LYS A 42 -9.500 1.675 4.480 1.00 0.00 C ATOM 646 O LYS A 42 -10.589 1.265 4.075 1.00 0.00 O ATOM 647 CB LYS A 42 -9.507 3.010 6.648 1.00 0.00 C ATOM 648 CG LYS A 42 -8.621 4.199 6.210 1.00 0.00 C ATOM 649 CD LYS A 42 -9.026 5.534 6.876 1.00 0.00 C ATOM 650 CE LYS A 42 -10.448 5.973 6.495 1.00 0.00 C ATOM 651 NZ LYS A 42 -10.864 7.209 7.217 1.00 0.00 N ATOM 0 H LYS A 42 -7.182 1.970 6.581 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.823 0.893 6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.547 3.258 6.434 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.422 2.896 7.729 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.582 3.979 6.453 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.679 4.308 5.127 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.959 5.431 7.959 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.319 6.311 6.585 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.498 6.147 5.420 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.148 5.169 6.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.829 7.470 6.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.842 7.036 8.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.212 7.984 6.982 1.00 0.00 H new ATOM 665 N GLU A 43 -8.550 2.158 3.663 1.00 0.00 N ATOM 666 CA GLU A 43 -8.738 2.297 2.211 1.00 0.00 C ATOM 667 C GLU A 43 -8.802 0.928 1.499 1.00 0.00 C ATOM 668 O GLU A 43 -9.760 0.641 0.778 1.00 0.00 O ATOM 669 CB GLU A 43 -7.620 3.192 1.637 1.00 0.00 C ATOM 670 CG GLU A 43 -7.565 4.617 2.232 1.00 0.00 C ATOM 671 CD GLU A 43 -8.857 5.429 2.035 1.00 0.00 C ATOM 672 OE1 GLU A 43 -9.773 5.348 2.892 1.00 0.00 O ATOM 673 OE2 GLU A 43 -8.962 6.159 1.025 1.00 0.00 O ATOM 0 H GLU A 43 -7.633 2.462 3.990 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.701 2.773 2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.660 2.705 1.807 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.752 3.268 0.558 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.352 4.546 3.299 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.735 5.158 1.777 1.00 0.00 H new ATOM 680 N CYS A 44 -7.807 0.063 1.748 1.00 0.00 N ATOM 681 CA CYS A 44 -7.745 -1.277 1.120 1.00 0.00 C ATOM 682 C CYS A 44 -8.716 -2.256 1.819 1.00 0.00 C ATOM 683 O CYS A 44 -8.986 -3.339 1.290 1.00 0.00 O ATOM 684 CB CYS A 44 -6.297 -1.815 1.154 1.00 0.00 C ATOM 685 SG CYS A 44 -5.079 -0.693 0.423 1.00 0.00 S ATOM 0 H CYS A 44 -7.031 0.263 2.379 1.00 0.00 H new ATOM 0 HA CYS A 44 -8.055 -1.188 0.079 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.018 -2.014 2.189 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.262 -2.768 0.626 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.996 -0.699 1.143 1.00 0.00 H new ATOM 691 N GLN A 45 -9.222 -1.837 3.010 1.00 0.00 N ATOM 692 CA GLN A 45 -10.186 -2.598 3.839 1.00 0.00 C ATOM 693 C GLN A 45 -9.618 -3.959 4.275 1.00 0.00 C ATOM 694 O GLN A 45 -10.358 -4.912 4.513 1.00 0.00 O ATOM 695 CB GLN A 45 -11.564 -2.719 3.117 1.00 0.00 C ATOM 696 CG GLN A 45 -12.323 -1.384 2.915 1.00 0.00 C ATOM 697 CD GLN A 45 -12.940 -0.794 4.196 1.00 0.00 C ATOM 698 OE1 GLN A 45 -12.446 -0.992 5.308 1.00 0.00 O ATOM 699 NE2 GLN A 45 -14.020 -0.038 4.039 1.00 0.00 N ATOM 0 H GLN A 45 -8.964 -0.942 3.426 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.356 -2.039 4.759 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.406 -3.179 2.142 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.198 -3.396 3.690 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -11.637 -0.653 2.489 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -13.117 -1.540 2.184 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -14.408 0.109 3.107 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -14.461 0.395 4.850 1.00 0.00 H new ATOM 708 N ALA A 46 -8.293 -3.996 4.452 1.00 0.00 N ATOM 709 CA ALA A 46 -7.551 -5.209 4.835 1.00 0.00 C ATOM 710 C ALA A 46 -6.810 -4.990 6.169 1.00 0.00 C ATOM 711 O ALA A 46 -6.517 -3.845 6.528 1.00 0.00 O ATOM 712 CB ALA A 46 -6.555 -5.571 3.729 1.00 0.00 C ATOM 0 H ALA A 46 -7.696 -3.177 4.333 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.256 -6.030 4.966 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.006 -6.469 4.013 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.094 -5.754 2.800 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.855 -4.748 3.586 1.00 0.00 H new ATOM 718 N PRO A 47 -6.522 -6.089 6.947 1.00 0.00 N ATOM 719 CA PRO A 47 -5.632 -6.024 8.132 1.00 0.00 C ATOM 720 C PRO A 47 -4.245 -5.462 7.770 1.00 0.00 C ATOM 721 O PRO A 47 -3.693 -5.792 6.714 1.00 0.00 O ATOM 722 CB PRO A 47 -5.539 -7.504 8.631 1.00 0.00 C ATOM 723 CG PRO A 47 -6.071 -8.332 7.501 1.00 0.00 C ATOM 724 CD PRO A 47 -7.065 -7.460 6.766 1.00 0.00 C ATOM 0 HA PRO A 47 -6.019 -5.353 8.899 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.511 -7.776 8.869 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.125 -7.652 9.538 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.266 -8.647 6.838 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.550 -9.237 7.874 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.133 -7.729 5.712 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.067 -7.553 7.184 1.00 0.00 H new ATOM 732 N LYS A 48 -3.735 -4.570 8.628 1.00 0.00 N ATOM 733 CA LYS A 48 -2.361 -4.028 8.545 1.00 0.00 C ATOM 734 C LYS A 48 -1.304 -5.140 8.374 1.00 0.00 C ATOM 735 O LYS A 48 -0.401 -5.008 7.554 1.00 0.00 O ATOM 736 CB LYS A 48 -2.060 -3.173 9.802 1.00 0.00 C ATOM 737 CG LYS A 48 -0.762 -2.344 9.730 1.00 0.00 C ATOM 738 CD LYS A 48 -0.552 -1.457 10.977 1.00 0.00 C ATOM 739 CE LYS A 48 -0.428 -2.262 12.279 1.00 0.00 C ATOM 740 NZ LYS A 48 0.721 -3.198 12.256 1.00 0.00 N ATOM 0 H LYS A 48 -4.268 -4.195 9.413 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.302 -3.399 7.656 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.897 -2.496 9.971 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.004 -3.833 10.667 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.088 -3.017 9.620 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.787 -1.714 8.841 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.348 -0.858 10.841 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.387 -0.762 11.065 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.317 -1.576 13.118 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.347 -2.823 12.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.825 -3.644 13.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.556 -3.932 11.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.590 -2.676 12.023 1.00 0.00 H new ATOM 754 N ARG A 49 -1.471 -6.258 9.115 1.00 0.00 N ATOM 755 CA ARG A 49 -0.545 -7.415 9.045 1.00 0.00 C ATOM 756 C ARG A 49 -0.461 -8.003 7.614 1.00 0.00 C ATOM 757 O ARG A 49 0.628 -8.397 7.161 1.00 0.00 O ATOM 758 CB ARG A 49 -0.946 -8.511 10.072 1.00 0.00 C ATOM 759 CG ARG A 49 -2.313 -9.189 9.831 1.00 0.00 C ATOM 760 CD ARG A 49 -2.595 -10.327 10.836 1.00 0.00 C ATOM 761 NE ARG A 49 -3.925 -10.934 10.632 1.00 0.00 N ATOM 762 CZ ARG A 49 -4.688 -11.448 11.611 1.00 0.00 C ATOM 763 NH1 ARG A 49 -4.267 -11.448 12.876 1.00 0.00 N ATOM 764 NH2 ARG A 49 -5.872 -11.963 11.315 1.00 0.00 N ATOM 0 H ARG A 49 -2.241 -6.385 9.772 1.00 0.00 H new ATOM 0 HA ARG A 49 0.449 -7.049 9.304 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.175 -9.281 10.073 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.953 -8.065 11.067 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.103 -8.442 9.903 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.343 -9.588 8.817 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.828 -11.095 10.737 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.527 -9.938 11.852 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.291 -10.965 9.680 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.356 -11.054 13.110 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.856 -11.841 13.610 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.199 -11.968 10.349 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.457 -12.355 12.053 1.00 0.00 H new ATOM 778 N GLU A 50 -1.610 -8.026 6.914 1.00 0.00 N ATOM 779 CA GLU A 50 -1.704 -8.463 5.511 1.00 0.00 C ATOM 780 C GLU A 50 -0.955 -7.472 4.598 1.00 0.00 C ATOM 781 O GLU A 50 -0.086 -7.867 3.802 1.00 0.00 O ATOM 782 CB GLU A 50 -3.201 -8.550 5.098 1.00 0.00 C ATOM 783 CG GLU A 50 -3.481 -9.134 3.700 1.00 0.00 C ATOM 784 CD GLU A 50 -2.910 -10.546 3.503 1.00 0.00 C ATOM 785 OE1 GLU A 50 -3.105 -11.410 4.386 1.00 0.00 O ATOM 786 OE2 GLU A 50 -2.302 -10.810 2.456 1.00 0.00 O ATOM 0 H GLU A 50 -2.505 -7.740 7.310 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.245 -9.446 5.405 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.727 -9.156 5.836 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.629 -7.549 5.145 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.558 -9.159 3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.058 -8.471 2.946 1.00 0.00 H new ATOM 793 N LEU A 51 -1.280 -6.177 4.790 1.00 0.00 N ATOM 794 CA LEU A 51 -0.754 -5.061 3.982 1.00 0.00 C ATOM 795 C LEU A 51 0.777 -5.003 4.004 1.00 0.00 C ATOM 796 O LEU A 51 1.377 -4.961 2.949 1.00 0.00 O ATOM 797 CB LEU A 51 -1.338 -3.725 4.489 1.00 0.00 C ATOM 798 CG LEU A 51 -2.873 -3.576 4.323 1.00 0.00 C ATOM 799 CD1 LEU A 51 -3.380 -2.377 5.117 1.00 0.00 C ATOM 800 CD2 LEU A 51 -3.275 -3.469 2.837 1.00 0.00 C ATOM 0 H LEU A 51 -1.924 -5.875 5.521 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.060 -5.231 2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.089 -3.614 5.544 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.849 -2.908 3.959 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.343 -4.476 4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.459 -2.286 4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.149 -2.516 6.173 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.895 -1.470 4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.357 -3.366 2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.795 -2.598 2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.957 -4.368 2.309 1.00 0.00 H new ATOM 812 N ASN A 52 1.371 -5.049 5.225 1.00 0.00 N ATOM 813 CA ASN A 52 2.839 -4.939 5.449 1.00 0.00 C ATOM 814 C ASN A 52 3.611 -5.928 4.586 1.00 0.00 C ATOM 815 O ASN A 52 4.514 -5.538 3.857 1.00 0.00 O ATOM 816 CB ASN A 52 3.223 -5.166 6.949 1.00 0.00 C ATOM 817 CG ASN A 52 2.769 -4.055 7.889 1.00 0.00 C ATOM 818 OD1 ASN A 52 1.739 -3.439 7.684 1.00 0.00 O ATOM 819 ND2 ASN A 52 3.554 -3.776 8.927 1.00 0.00 N ATOM 0 H ASN A 52 0.841 -5.164 6.089 1.00 0.00 H new ATOM 0 HA ASN A 52 3.112 -3.922 5.166 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.790 -6.109 7.284 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.306 -5.268 7.023 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.298 -3.030 9.574 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.412 -4.308 9.075 1.00 0.00 H new ATOM 826 N GLN A 53 3.199 -7.206 4.659 1.00 0.00 N ATOM 827 CA GLN A 53 3.897 -8.314 3.987 1.00 0.00 C ATOM 828 C GLN A 53 3.798 -8.197 2.450 1.00 0.00 C ATOM 829 O GLN A 53 4.774 -8.492 1.741 1.00 0.00 O ATOM 830 CB GLN A 53 3.353 -9.682 4.473 1.00 0.00 C ATOM 831 CG GLN A 53 3.347 -9.871 6.004 1.00 0.00 C ATOM 832 CD GLN A 53 4.716 -9.686 6.663 1.00 0.00 C ATOM 833 OE1 GLN A 53 5.496 -10.632 6.781 1.00 0.00 O ATOM 834 NE2 GLN A 53 5.015 -8.473 7.106 1.00 0.00 N ATOM 0 H GLN A 53 2.375 -7.498 5.184 1.00 0.00 H new ATOM 0 HA GLN A 53 4.952 -8.250 4.254 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.335 -9.804 4.102 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.953 -10.475 4.026 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.645 -9.162 6.444 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.977 -10.870 6.234 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.348 -7.710 6.993 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.913 -8.303 7.560 1.00 0.00 H new ATOM 843 N VAL A 54 2.627 -7.733 1.945 1.00 0.00 N ATOM 844 CA VAL A 54 2.429 -7.457 0.509 1.00 0.00 C ATOM 845 C VAL A 54 3.327 -6.272 0.081 1.00 0.00 C ATOM 846 O VAL A 54 4.041 -6.357 -0.907 1.00 0.00 O ATOM 847 CB VAL A 54 0.910 -7.160 0.176 1.00 0.00 C ATOM 848 CG1 VAL A 54 0.703 -6.771 -1.308 1.00 0.00 C ATOM 849 CG2 VAL A 54 0.021 -8.368 0.550 1.00 0.00 C ATOM 0 H VAL A 54 1.805 -7.543 2.519 1.00 0.00 H new ATOM 0 HA VAL A 54 2.713 -8.346 -0.055 1.00 0.00 H new ATOM 0 HB VAL A 54 0.611 -6.303 0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.354 -6.577 -1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.281 -5.874 -1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.037 -7.588 -1.948 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.019 -8.142 0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.340 -9.244 -0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.114 -8.572 1.617 1.00 0.00 H new ATOM 859 N LEU A 55 3.293 -5.195 0.884 1.00 0.00 N ATOM 860 CA LEU A 55 4.097 -3.965 0.698 1.00 0.00 C ATOM 861 C LEU A 55 5.605 -4.237 0.671 1.00 0.00 C ATOM 862 O LEU A 55 6.324 -3.582 -0.095 1.00 0.00 O ATOM 863 CB LEU A 55 3.763 -2.928 1.814 1.00 0.00 C ATOM 864 CG LEU A 55 2.403 -2.188 1.657 1.00 0.00 C ATOM 865 CD1 LEU A 55 1.966 -1.526 2.977 1.00 0.00 C ATOM 866 CD2 LEU A 55 2.480 -1.155 0.520 1.00 0.00 C ATOM 0 H LEU A 55 2.690 -5.150 1.705 1.00 0.00 H new ATOM 0 HA LEU A 55 3.828 -3.559 -0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.768 -3.441 2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.560 -2.185 1.845 1.00 0.00 H new ATOM 0 HG LEU A 55 1.646 -2.928 1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.013 -1.018 2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.857 -2.289 3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.719 -0.802 3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.520 -0.647 0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.257 -0.424 0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.718 -1.661 -0.416 1.00 0.00 H new ATOM 878 N TYR A 56 6.099 -5.181 1.506 1.00 0.00 N ATOM 879 CA TYR A 56 7.523 -5.547 1.545 1.00 0.00 C ATOM 880 C TYR A 56 7.952 -6.267 0.259 1.00 0.00 C ATOM 881 O TYR A 56 9.119 -6.185 -0.144 1.00 0.00 O ATOM 882 CB TYR A 56 7.812 -6.431 2.797 1.00 0.00 C ATOM 883 CG TYR A 56 7.608 -5.726 4.155 1.00 0.00 C ATOM 884 CD1 TYR A 56 7.860 -4.357 4.321 1.00 0.00 C ATOM 885 CD2 TYR A 56 7.176 -6.435 5.281 1.00 0.00 C ATOM 886 CE1 TYR A 56 7.685 -3.737 5.545 1.00 0.00 C ATOM 887 CE2 TYR A 56 7.000 -5.811 6.504 1.00 0.00 C ATOM 888 CZ TYR A 56 7.254 -4.465 6.628 1.00 0.00 C ATOM 889 OH TYR A 56 7.082 -3.843 7.842 1.00 0.00 O ATOM 0 H TYR A 56 5.521 -5.703 2.165 1.00 0.00 H new ATOM 0 HA TYR A 56 8.109 -4.631 1.617 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.167 -7.309 2.760 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.840 -6.788 2.741 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.198 -3.775 3.476 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.975 -7.493 5.194 1.00 0.00 H new ATOM 0 HE1 TYR A 56 7.887 -2.681 5.650 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.664 -6.380 7.359 1.00 0.00 H new ATOM 0 HH TYR A 56 6.772 -4.497 8.503 1.00 0.00 H new ATOM 899 N ARG A 57 7.002 -6.966 -0.381 1.00 0.00 N ATOM 900 CA ARG A 57 7.197 -7.557 -1.713 1.00 0.00 C ATOM 901 C ARG A 57 7.232 -6.426 -2.773 1.00 0.00 C ATOM 902 O ARG A 57 8.195 -6.295 -3.530 1.00 0.00 O ATOM 903 CB ARG A 57 6.043 -8.546 -2.036 1.00 0.00 C ATOM 904 CG ARG A 57 6.109 -9.194 -3.441 1.00 0.00 C ATOM 905 CD ARG A 57 4.806 -9.923 -3.816 1.00 0.00 C ATOM 906 NE ARG A 57 4.410 -10.929 -2.817 1.00 0.00 N ATOM 907 CZ ARG A 57 4.600 -12.256 -2.922 1.00 0.00 C ATOM 908 NH1 ARG A 57 5.192 -12.786 -3.994 1.00 0.00 N ATOM 909 NH2 ARG A 57 4.177 -13.058 -1.949 1.00 0.00 N ATOM 0 H ARG A 57 6.076 -7.137 0.011 1.00 0.00 H new ATOM 0 HA ARG A 57 8.140 -8.104 -1.729 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.043 -9.338 -1.287 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.095 -8.017 -1.941 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.317 -8.424 -4.183 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.939 -9.900 -3.473 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.005 -9.192 -3.927 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.932 -10.408 -4.784 1.00 0.00 H new ATOM 0 HE ARG A 57 3.951 -10.590 -1.971 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.509 -12.182 -4.752 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.327 -13.795 -4.055 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.712 -12.665 -1.130 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.317 -14.066 -2.021 1.00 0.00 H new ATOM 923 N MET A 58 6.173 -5.582 -2.755 1.00 0.00 N ATOM 924 CA MET A 58 5.912 -4.526 -3.760 1.00 0.00 C ATOM 925 C MET A 58 7.030 -3.470 -3.829 1.00 0.00 C ATOM 926 O MET A 58 7.278 -2.908 -4.891 1.00 0.00 O ATOM 927 CB MET A 58 4.557 -3.838 -3.439 1.00 0.00 C ATOM 928 CG MET A 58 3.336 -4.761 -3.515 1.00 0.00 C ATOM 929 SD MET A 58 1.873 -4.047 -2.727 1.00 0.00 S ATOM 930 CE MET A 58 1.628 -2.557 -3.674 1.00 0.00 C ATOM 0 H MET A 58 5.461 -5.618 -2.025 1.00 0.00 H new ATOM 0 HA MET A 58 5.877 -5.009 -4.736 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.610 -3.410 -2.438 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.413 -3.009 -4.132 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.113 -4.976 -4.560 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.574 -5.712 -3.038 1.00 0.00 H new ATOM 0 HE1 MET A 58 1.796 -1.689 -3.036 1.00 0.00 H new ATOM 0 HE2 MET A 58 2.330 -2.536 -4.508 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.608 -2.534 -4.058 1.00 0.00 H new ATOM 940 N LYS A 59 7.680 -3.187 -2.689 1.00 0.00 N ATOM 941 CA LYS A 59 8.791 -2.212 -2.632 1.00 0.00 C ATOM 942 C LYS A 59 10.044 -2.756 -3.339 1.00 0.00 C ATOM 943 O LYS A 59 10.791 -1.989 -3.968 1.00 0.00 O ATOM 944 CB LYS A 59 9.097 -1.797 -1.170 1.00 0.00 C ATOM 945 CG LYS A 59 9.614 -2.925 -0.252 1.00 0.00 C ATOM 946 CD LYS A 59 9.811 -2.467 1.212 1.00 0.00 C ATOM 947 CE LYS A 59 10.757 -1.267 1.338 1.00 0.00 C ATOM 948 NZ LYS A 59 12.118 -1.564 0.822 1.00 0.00 N ATOM 0 H LYS A 59 7.458 -3.618 -1.791 1.00 0.00 H new ATOM 0 HA LYS A 59 8.477 -1.316 -3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.837 -0.997 -1.185 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.189 -1.383 -0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.910 -3.757 -0.275 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.561 -3.298 -0.641 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.843 -2.207 1.640 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.205 -3.297 1.798 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.341 -0.420 0.792 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.825 -0.969 2.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.730 -0.735 0.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.515 -2.376 1.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.063 -1.790 -0.192 1.00 0.00 H new ATOM 962 N LYS A 60 10.251 -4.083 -3.249 1.00 0.00 N ATOM 963 CA LYS A 60 11.318 -4.792 -3.988 1.00 0.00 C ATOM 964 C LYS A 60 10.977 -4.858 -5.486 1.00 0.00 C ATOM 965 O LYS A 60 11.866 -4.991 -6.335 1.00 0.00 O ATOM 966 CB LYS A 60 11.495 -6.213 -3.402 1.00 0.00 C ATOM 967 CG LYS A 60 11.951 -6.217 -1.928 1.00 0.00 C ATOM 968 CD LYS A 60 12.019 -7.637 -1.311 1.00 0.00 C ATOM 969 CE LYS A 60 12.929 -8.606 -2.087 1.00 0.00 C ATOM 970 NZ LYS A 60 13.069 -9.916 -1.390 1.00 0.00 N ATOM 0 H LYS A 60 9.684 -4.696 -2.663 1.00 0.00 H new ATOM 0 HA LYS A 60 12.256 -4.247 -3.880 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.551 -6.752 -3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.225 -6.757 -4.002 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.934 -5.750 -1.858 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.265 -5.606 -1.341 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.376 -7.561 -0.284 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.013 -8.053 -1.268 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.520 -8.767 -3.085 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.913 -8.156 -2.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.689 -10.540 -1.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.483 -9.765 -0.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.133 -10.358 -1.291 1.00 0.00 H new ATOM 984 N GLU A 61 9.664 -4.773 -5.779 1.00 0.00 N ATOM 985 CA GLU A 61 9.122 -4.693 -7.142 1.00 0.00 C ATOM 986 C GLU A 61 9.023 -3.212 -7.609 1.00 0.00 C ATOM 987 O GLU A 61 8.455 -2.943 -8.666 1.00 0.00 O ATOM 988 CB GLU A 61 7.724 -5.378 -7.175 1.00 0.00 C ATOM 989 CG GLU A 61 7.709 -6.843 -6.687 1.00 0.00 C ATOM 990 CD GLU A 61 6.330 -7.504 -6.828 1.00 0.00 C ATOM 991 OE1 GLU A 61 5.387 -7.079 -6.129 1.00 0.00 O ATOM 992 OE2 GLU A 61 6.170 -8.432 -7.658 1.00 0.00 O ATOM 0 H GLU A 61 8.941 -4.758 -5.059 1.00 0.00 H new ATOM 0 HA GLU A 61 9.792 -5.211 -7.828 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.036 -4.798 -6.560 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.343 -5.346 -8.196 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.442 -7.417 -7.254 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.017 -6.876 -5.642 1.00 0.00 H new ATOM 999 N LEU A 62 9.547 -2.264 -6.775 1.00 0.00 N ATOM 1000 CA LEU A 62 9.604 -0.793 -7.061 1.00 0.00 C ATOM 1001 C LEU A 62 8.193 -0.162 -7.260 1.00 0.00 C ATOM 1002 O LEU A 62 8.069 0.970 -7.741 1.00 0.00 O ATOM 1003 CB LEU A 62 10.556 -0.474 -8.278 1.00 0.00 C ATOM 1004 CG LEU A 62 12.107 -0.661 -8.062 1.00 0.00 C ATOM 1005 CD1 LEU A 62 12.620 0.152 -6.848 1.00 0.00 C ATOM 1006 CD2 LEU A 62 12.506 -2.155 -7.961 1.00 0.00 C ATOM 0 H LEU A 62 9.949 -2.504 -5.869 1.00 0.00 H new ATOM 0 HA LEU A 62 10.030 -0.325 -6.174 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.255 -1.105 -9.114 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.381 0.559 -8.579 1.00 0.00 H new ATOM 0 HG LEU A 62 12.599 -0.262 -8.949 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.693 -0.004 -6.733 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.422 1.212 -7.010 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.106 -0.179 -5.945 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.583 -2.235 -7.813 1.00 0.00 H new ATOM 0 HD22 LEU A 62 11.989 -2.614 -7.118 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.227 -2.669 -8.881 1.00 0.00 H new ATOM 1018 N LYS A 63 7.140 -0.895 -6.856 1.00 0.00 N ATOM 1019 CA LYS A 63 5.738 -0.443 -6.929 1.00 0.00 C ATOM 1020 C LYS A 63 5.446 0.610 -5.848 1.00 0.00 C ATOM 1021 O LYS A 63 4.748 1.609 -6.101 1.00 0.00 O ATOM 1022 CB LYS A 63 4.787 -1.667 -6.771 1.00 0.00 C ATOM 1023 CG LYS A 63 4.931 -2.719 -7.897 1.00 0.00 C ATOM 1024 CD LYS A 63 4.075 -3.981 -7.658 1.00 0.00 C ATOM 1025 CE LYS A 63 4.235 -5.011 -8.789 1.00 0.00 C ATOM 1026 NZ LYS A 63 3.561 -6.295 -8.459 1.00 0.00 N ATOM 0 H LYS A 63 7.240 -1.831 -6.464 1.00 0.00 H new ATOM 0 HA LYS A 63 5.567 0.020 -7.901 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.983 -2.146 -5.812 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.756 -1.314 -6.746 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.645 -2.267 -8.847 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.978 -3.008 -7.984 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.359 -4.437 -6.710 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.026 -3.696 -7.573 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.818 -4.607 -9.712 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.295 -5.192 -8.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.209 -7.086 -8.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.296 -6.300 -7.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.706 -6.398 -9.043 1.00 0.00 H new ATOM 1040 N VAL A 64 5.988 0.377 -4.635 1.00 0.00 N ATOM 1041 CA VAL A 64 5.830 1.288 -3.483 1.00 0.00 C ATOM 1042 C VAL A 64 7.203 1.663 -2.900 1.00 0.00 C ATOM 1043 O VAL A 64 8.198 0.962 -3.123 1.00 0.00 O ATOM 1044 CB VAL A 64 4.909 0.682 -2.347 1.00 0.00 C ATOM 1045 CG1 VAL A 64 3.497 0.382 -2.878 1.00 0.00 C ATOM 1046 CG2 VAL A 64 5.535 -0.567 -1.700 1.00 0.00 C ATOM 0 H VAL A 64 6.548 -0.449 -4.427 1.00 0.00 H new ATOM 0 HA VAL A 64 5.335 2.184 -3.858 1.00 0.00 H new ATOM 0 HB VAL A 64 4.824 1.439 -1.567 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.887 -0.033 -2.076 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.041 1.303 -3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.561 -0.337 -3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.869 -0.949 -0.926 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.686 -1.334 -2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.495 -0.304 -1.255 1.00 0.00 H new ATOM 1056 N SER A 65 7.243 2.785 -2.182 1.00 0.00 N ATOM 1057 CA SER A 65 8.415 3.254 -1.431 1.00 0.00 C ATOM 1058 C SER A 65 7.943 3.732 -0.047 1.00 0.00 C ATOM 1059 O SER A 65 6.812 4.199 0.088 1.00 0.00 O ATOM 1060 CB SER A 65 9.120 4.401 -2.205 1.00 0.00 C ATOM 1061 OG SER A 65 9.503 3.986 -3.510 1.00 0.00 O ATOM 0 H SER A 65 6.442 3.412 -2.102 1.00 0.00 H new ATOM 0 HA SER A 65 9.136 2.445 -1.309 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.452 5.259 -2.276 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.001 4.728 -1.652 1.00 0.00 H new ATOM 0 HG SER A 65 9.943 4.729 -3.974 1.00 0.00 H new ATOM 1067 N LEU A 66 8.808 3.620 0.968 1.00 0.00 N ATOM 1068 CA LEU A 66 8.489 4.017 2.350 1.00 0.00 C ATOM 1069 C LEU A 66 9.110 5.409 2.596 1.00 0.00 C ATOM 1070 O LEU A 66 10.335 5.542 2.611 1.00 0.00 O ATOM 1071 CB LEU A 66 9.049 2.963 3.356 1.00 0.00 C ATOM 1072 CG LEU A 66 8.689 3.175 4.859 1.00 0.00 C ATOM 1073 CD1 LEU A 66 7.176 3.021 5.110 1.00 0.00 C ATOM 1074 CD2 LEU A 66 9.505 2.233 5.772 1.00 0.00 C ATOM 0 H LEU A 66 9.752 3.251 0.857 1.00 0.00 H new ATOM 0 HA LEU A 66 7.410 4.065 2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.689 1.979 3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.135 2.947 3.264 1.00 0.00 H new ATOM 0 HG LEU A 66 8.959 4.200 5.113 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.965 3.176 6.168 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.632 3.759 4.520 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.859 2.019 4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.230 2.406 6.812 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.293 1.197 5.508 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.569 2.430 5.640 1.00 0.00 H new ATOM 1086 N THR A 67 8.262 6.435 2.732 1.00 0.00 N ATOM 1087 CA THR A 67 8.694 7.836 2.917 1.00 0.00 C ATOM 1088 C THR A 67 9.040 8.135 4.396 1.00 0.00 C ATOM 1089 O THR A 67 10.083 8.725 4.701 1.00 0.00 O ATOM 1090 CB THR A 67 7.567 8.799 2.421 1.00 0.00 C ATOM 1091 OG1 THR A 67 6.314 8.395 2.998 1.00 0.00 O ATOM 1092 CG2 THR A 67 7.434 8.803 0.888 1.00 0.00 C ATOM 0 H THR A 67 7.248 6.322 2.717 1.00 0.00 H new ATOM 0 HA THR A 67 9.598 7.995 2.330 1.00 0.00 H new ATOM 0 HB THR A 67 7.835 9.808 2.734 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.803 9.189 3.259 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.638 9.487 0.594 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.374 9.127 0.442 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.195 7.798 0.541 1.00 0.00 H new ATOM 1100 N SER A 68 8.157 7.701 5.308 1.00 0.00 N ATOM 1101 CA SER A 68 8.286 7.911 6.769 1.00 0.00 C ATOM 1102 C SER A 68 8.002 6.557 7.481 1.00 0.00 C ATOM 1103 O SER A 68 7.457 5.677 6.821 1.00 0.00 O ATOM 1104 CB SER A 68 7.302 9.038 7.203 1.00 0.00 C ATOM 1105 OG SER A 68 7.615 10.276 6.569 1.00 0.00 O ATOM 0 H SER A 68 7.316 7.184 5.052 1.00 0.00 H new ATOM 0 HA SER A 68 9.290 8.232 7.047 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.281 8.748 6.953 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.343 9.161 8.285 1.00 0.00 H new ATOM 0 HG SER A 68 6.979 10.963 6.860 1.00 0.00 H new ATOM 1111 N PRO A 69 8.374 6.360 8.809 1.00 0.00 N ATOM 1112 CA PRO A 69 8.251 5.065 9.568 1.00 0.00 C ATOM 1113 C PRO A 69 7.154 4.071 9.073 1.00 0.00 C ATOM 1114 O PRO A 69 7.470 2.951 8.647 1.00 0.00 O ATOM 1115 CB PRO A 69 7.970 5.578 11.004 1.00 0.00 C ATOM 1116 CG PRO A 69 8.800 6.834 11.127 1.00 0.00 C ATOM 1117 CD PRO A 69 8.989 7.390 9.709 1.00 0.00 C ATOM 0 HA PRO A 69 9.143 4.449 9.451 1.00 0.00 H new ATOM 0 HB2 PRO A 69 6.910 5.787 11.150 1.00 0.00 H new ATOM 0 HB3 PRO A 69 8.256 4.839 11.752 1.00 0.00 H new ATOM 0 HG2 PRO A 69 8.301 7.565 11.764 1.00 0.00 H new ATOM 0 HG3 PRO A 69 9.764 6.615 11.587 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.500 8.358 9.595 1.00 0.00 H new ATOM 0 HD3 PRO A 69 10.044 7.537 9.479 1.00 0.00 H new ATOM 1125 N ALA A 70 5.876 4.488 9.147 1.00 0.00 N ATOM 1126 CA ALA A 70 4.737 3.736 8.584 1.00 0.00 C ATOM 1127 C ALA A 70 3.895 4.639 7.670 1.00 0.00 C ATOM 1128 O ALA A 70 2.691 4.826 7.874 1.00 0.00 O ATOM 1129 CB ALA A 70 3.902 3.114 9.716 1.00 0.00 C ATOM 0 H ALA A 70 5.603 5.360 9.601 1.00 0.00 H new ATOM 0 HA ALA A 70 5.114 2.919 7.968 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.065 2.562 9.289 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.526 2.435 10.297 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.523 3.904 10.365 1.00 0.00 H new ATOM 1135 N THR A 71 4.563 5.264 6.703 1.00 0.00 N ATOM 1136 CA THR A 71 3.919 6.033 5.642 1.00 0.00 C ATOM 1137 C THR A 71 4.544 5.600 4.305 1.00 0.00 C ATOM 1138 O THR A 71 5.758 5.740 4.104 1.00 0.00 O ATOM 1139 CB THR A 71 4.073 7.573 5.870 1.00 0.00 C ATOM 1140 OG1 THR A 71 3.601 7.926 7.186 1.00 0.00 O ATOM 1141 CG2 THR A 71 3.303 8.400 4.822 1.00 0.00 C ATOM 0 H THR A 71 5.581 5.250 6.634 1.00 0.00 H new ATOM 0 HA THR A 71 2.847 5.833 5.638 1.00 0.00 H new ATOM 0 HB THR A 71 5.133 7.806 5.770 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.702 8.891 7.322 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.441 9.462 5.023 1.00 0.00 H new ATOM 0 HG22 THR A 71 3.680 8.167 3.826 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.242 8.156 4.874 1.00 0.00 H new ATOM 1149 N TRP A 72 3.705 5.088 3.395 1.00 0.00 N ATOM 1150 CA TRP A 72 4.125 4.514 2.102 1.00 0.00 C ATOM 1151 C TRP A 72 3.764 5.489 0.974 1.00 0.00 C ATOM 1152 O TRP A 72 3.026 6.445 1.193 1.00 0.00 O ATOM 1153 CB TRP A 72 3.457 3.125 1.870 1.00 0.00 C ATOM 1154 CG TRP A 72 3.897 2.067 2.856 1.00 0.00 C ATOM 1155 CD1 TRP A 72 3.363 1.813 4.093 1.00 0.00 C ATOM 1156 CD2 TRP A 72 4.976 1.132 2.691 1.00 0.00 C ATOM 1157 NE1 TRP A 72 4.038 0.784 4.695 1.00 0.00 N ATOM 1158 CE2 TRP A 72 5.030 0.348 3.858 1.00 0.00 C ATOM 1159 CE3 TRP A 72 5.902 0.885 1.671 1.00 0.00 C ATOM 1160 CZ2 TRP A 72 5.969 -0.668 4.030 1.00 0.00 C ATOM 1161 CZ3 TRP A 72 6.829 -0.123 1.841 1.00 0.00 C ATOM 1162 CH2 TRP A 72 6.860 -0.888 3.014 1.00 0.00 C ATOM 0 H TRP A 72 2.695 5.059 3.536 1.00 0.00 H new ATOM 0 HA TRP A 72 5.204 4.362 2.111 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.375 3.238 1.930 1.00 0.00 H new ATOM 0 HB3 TRP A 72 3.686 2.786 0.860 1.00 0.00 H new ATOM 0 HD1 TRP A 72 2.531 2.346 4.529 1.00 0.00 H new ATOM 0 HE1 TRP A 72 3.834 0.403 5.619 1.00 0.00 H new ATOM 0 HE3 TRP A 72 5.891 1.474 0.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 5.993 -1.261 4.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 7.543 -0.326 1.056 1.00 0.00 H new ATOM 0 HH2 TRP A 72 7.601 -1.667 3.119 1.00 0.00 H new ATOM 1173 N CYS A 73 4.270 5.232 -0.238 1.00 0.00 N ATOM 1174 CA CYS A 73 4.093 6.118 -1.401 1.00 0.00 C ATOM 1175 C CYS A 73 4.124 5.293 -2.683 1.00 0.00 C ATOM 1176 O CYS A 73 4.610 4.155 -2.680 1.00 0.00 O ATOM 1177 CB CYS A 73 5.204 7.193 -1.425 1.00 0.00 C ATOM 1178 SG CYS A 73 5.144 8.312 -2.839 1.00 0.00 S ATOM 0 H CYS A 73 4.819 4.397 -0.444 1.00 0.00 H new ATOM 0 HA CYS A 73 3.129 6.620 -1.326 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.140 7.782 -0.510 1.00 0.00 H new ATOM 0 HB3 CYS A 73 6.173 6.694 -1.415 1.00 0.00 H new ATOM 0 HG CYS A 73 6.117 9.170 -2.755 1.00 0.00 H new ATOM 1184 N LEU A 74 3.574 5.860 -3.773 1.00 0.00 N ATOM 1185 CA LEU A 74 3.630 5.239 -5.104 1.00 0.00 C ATOM 1186 C LEU A 74 5.074 5.374 -5.629 1.00 0.00 C ATOM 1187 O LEU A 74 5.513 6.474 -5.993 1.00 0.00 O ATOM 1188 CB LEU A 74 2.612 5.903 -6.086 1.00 0.00 C ATOM 1189 CG LEU A 74 2.451 5.211 -7.484 1.00 0.00 C ATOM 1190 CD1 LEU A 74 1.858 3.788 -7.363 1.00 0.00 C ATOM 1191 CD2 LEU A 74 1.623 6.092 -8.451 1.00 0.00 C ATOM 0 H LEU A 74 3.083 6.754 -3.754 1.00 0.00 H new ATOM 0 HA LEU A 74 3.353 4.187 -5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.636 5.930 -5.602 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.916 6.937 -6.248 1.00 0.00 H new ATOM 0 HG LEU A 74 3.450 5.101 -7.907 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.764 3.347 -8.356 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.516 3.170 -6.752 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.875 3.842 -6.896 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.528 5.587 -9.412 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.632 6.261 -8.030 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.126 7.049 -8.592 1.00 0.00 H new ATOM 1203 N GLY A 75 5.809 4.255 -5.585 1.00 0.00 N ATOM 1204 CA GLY A 75 7.184 4.187 -6.089 1.00 0.00 C ATOM 1205 C GLY A 75 7.223 4.147 -7.612 1.00 0.00 C ATOM 1206 O GLY A 75 8.217 4.550 -8.226 1.00 0.00 O ATOM 0 H GLY A 75 5.467 3.375 -5.200 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.746 5.051 -5.733 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.675 3.300 -5.689 1.00 0.00 H new