USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=16 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 X(o=0,f=-0.082) USER MOD Single : A 22 GLN : amide:sc= -0.457 X(o=-0.46,f=-0.076) USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 29 THR OG1 : rot 74:sc= 1.3 USER MOD Single : A 33 SER OG : rot 78:sc= 0.266 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -1.37 K(o=-1.4,f=-3.2!) USER MOD Single : A 42 LYS NZ :NH3+ 175:sc= 0.627 (180deg=0.593) USER MOD Single : A 44 CYS SG : rot -77:sc= -7.5! USER MOD Single : A 45 GLN : amide:sc= 0.446 K(o=0.45,f=-4.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.348 K(o=-0.35,f=-1) USER MOD Single : A 53 GLN :FLIP amide:sc=-0.00603 F(o=-0.9,f=-0.006) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 149:sc= -2.74 (180deg=-4.05!) USER MOD Single : A 59 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.031) USER MOD Single : A 60 LYS NZ :NH3+ -171:sc=-0.000639 (180deg=-0.0884) USER MOD Single : A 63 LYS NZ :NH3+ -132:sc= 0.755 (180deg=-0.177) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 116:sc= -0.992 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 65:sc= -0.047 USER MOD Single : A 73 CYS SG : rot 180:sc= -0.537 USER MOD ----------------------------------------------------------------- ATOM 248 N GLU A 17 -4.085 -11.643 -2.962 1.00 0.00 N ATOM 249 CA GLU A 17 -2.864 -10.839 -2.812 1.00 0.00 C ATOM 250 C GLU A 17 -2.671 -9.857 -3.979 1.00 0.00 C ATOM 251 O GLU A 17 -2.340 -8.703 -3.748 1.00 0.00 O ATOM 252 CB GLU A 17 -1.639 -11.776 -2.679 1.00 0.00 C ATOM 253 CG GLU A 17 -0.300 -11.038 -2.579 1.00 0.00 C ATOM 254 CD GLU A 17 0.873 -11.947 -2.221 1.00 0.00 C ATOM 255 OE1 GLU A 17 1.330 -12.709 -3.092 1.00 0.00 O ATOM 256 OE2 GLU A 17 1.353 -11.900 -1.074 1.00 0.00 O ATOM 0 HA GLU A 17 -2.964 -10.240 -1.907 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.766 -12.400 -1.794 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.611 -12.445 -3.539 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.092 -10.549 -3.531 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.383 -10.252 -1.828 1.00 0.00 H new ATOM 263 N GLY A 18 -2.850 -10.340 -5.218 1.00 0.00 N ATOM 264 CA GLY A 18 -2.771 -9.487 -6.408 1.00 0.00 C ATOM 265 C GLY A 18 -3.831 -8.393 -6.428 1.00 0.00 C ATOM 266 O GLY A 18 -3.548 -7.255 -6.796 1.00 0.00 O ATOM 0 H GLY A 18 -3.051 -11.320 -5.419 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.783 -9.029 -6.455 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.878 -10.105 -7.299 1.00 0.00 H new ATOM 270 N HIS A 19 -5.045 -8.745 -5.977 1.00 0.00 N ATOM 271 CA HIS A 19 -6.184 -7.803 -5.930 1.00 0.00 C ATOM 272 C HIS A 19 -5.995 -6.781 -4.786 1.00 0.00 C ATOM 273 O HIS A 19 -6.340 -5.601 -4.918 1.00 0.00 O ATOM 274 CB HIS A 19 -7.522 -8.574 -5.791 1.00 0.00 C ATOM 275 CG HIS A 19 -7.874 -9.414 -7.003 1.00 0.00 C ATOM 276 ND1 HIS A 19 -7.753 -8.946 -8.296 1.00 0.00 N ATOM 277 CD2 HIS A 19 -8.360 -10.678 -7.120 1.00 0.00 C ATOM 278 CE1 HIS A 19 -8.151 -9.871 -9.141 1.00 0.00 C ATOM 279 NE2 HIS A 19 -8.518 -10.933 -8.459 1.00 0.00 N ATOM 0 H HIS A 19 -5.268 -9.680 -5.637 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.219 -7.247 -6.867 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -7.468 -9.221 -4.916 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -8.325 -7.859 -5.610 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.581 -11.356 -6.309 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -8.173 -9.774 -10.216 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -8.864 -11.805 -8.860 1.00 0.00 H new ATOM 288 N LEU A 20 -5.422 -7.262 -3.678 1.00 0.00 N ATOM 289 CA LEU A 20 -5.047 -6.444 -2.519 1.00 0.00 C ATOM 290 C LEU A 20 -3.922 -5.461 -2.904 1.00 0.00 C ATOM 291 O LEU A 20 -3.970 -4.289 -2.535 1.00 0.00 O ATOM 292 CB LEU A 20 -4.642 -7.381 -1.332 1.00 0.00 C ATOM 293 CG LEU A 20 -4.287 -6.723 0.053 1.00 0.00 C ATOM 294 CD1 LEU A 20 -2.784 -6.388 0.189 1.00 0.00 C ATOM 295 CD2 LEU A 20 -5.157 -5.474 0.325 1.00 0.00 C ATOM 0 H LEU A 20 -5.201 -8.251 -3.559 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.896 -5.843 -2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.461 -8.081 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.781 -7.968 -1.651 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.514 -7.471 0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.599 -5.937 1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.198 -7.302 0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.495 -5.689 -0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.886 -5.045 1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.991 -4.737 -0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.209 -5.759 0.338 1.00 0.00 H new ATOM 307 N GLU A 21 -2.940 -5.962 -3.668 1.00 0.00 N ATOM 308 CA GLU A 21 -1.805 -5.162 -4.178 1.00 0.00 C ATOM 309 C GLU A 21 -2.325 -4.035 -5.085 1.00 0.00 C ATOM 310 O GLU A 21 -1.886 -2.882 -4.990 1.00 0.00 O ATOM 311 CB GLU A 21 -0.823 -6.062 -4.976 1.00 0.00 C ATOM 312 CG GLU A 21 0.314 -5.293 -5.663 1.00 0.00 C ATOM 313 CD GLU A 21 1.267 -6.199 -6.435 1.00 0.00 C ATOM 314 OE1 GLU A 21 0.953 -6.571 -7.586 1.00 0.00 O ATOM 315 OE2 GLU A 21 2.336 -6.556 -5.902 1.00 0.00 O ATOM 0 H GLU A 21 -2.906 -6.940 -3.954 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.276 -4.729 -3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.391 -6.800 -4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.384 -6.612 -5.732 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.113 -4.558 -6.346 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.877 -4.740 -4.911 1.00 0.00 H new ATOM 322 N GLN A 22 -3.299 -4.408 -5.937 1.00 0.00 N ATOM 323 CA GLN A 22 -3.955 -3.496 -6.885 1.00 0.00 C ATOM 324 C GLN A 22 -4.628 -2.356 -6.098 1.00 0.00 C ATOM 325 O GLN A 22 -4.512 -1.178 -6.458 1.00 0.00 O ATOM 326 CB GLN A 22 -4.993 -4.301 -7.736 1.00 0.00 C ATOM 327 CG GLN A 22 -5.437 -3.676 -9.087 1.00 0.00 C ATOM 328 CD GLN A 22 -6.346 -2.447 -8.956 1.00 0.00 C ATOM 329 OE1 GLN A 22 -7.561 -2.573 -8.886 1.00 0.00 O ATOM 330 NE2 GLN A 22 -5.763 -1.261 -8.913 1.00 0.00 N ATOM 0 H GLN A 22 -3.654 -5.363 -5.984 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.227 -3.057 -7.567 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.572 -5.285 -7.941 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.883 -4.456 -7.126 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.548 -3.395 -9.652 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.958 -4.436 -9.670 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.747 -1.189 -8.974 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.329 -0.418 -8.819 1.00 0.00 H new ATOM 339 N ARG A 23 -5.282 -2.732 -4.984 1.00 0.00 N ATOM 340 CA ARG A 23 -6.026 -1.804 -4.124 1.00 0.00 C ATOM 341 C ARG A 23 -5.071 -0.810 -3.417 1.00 0.00 C ATOM 342 O ARG A 23 -5.375 0.386 -3.342 1.00 0.00 O ATOM 343 CB ARG A 23 -6.843 -2.626 -3.089 1.00 0.00 C ATOM 344 CG ARG A 23 -7.812 -1.813 -2.213 1.00 0.00 C ATOM 345 CD ARG A 23 -8.875 -1.062 -3.030 1.00 0.00 C ATOM 346 NE ARG A 23 -9.917 -0.483 -2.166 1.00 0.00 N ATOM 347 CZ ARG A 23 -10.268 0.813 -2.114 1.00 0.00 C ATOM 348 NH1 ARG A 23 -9.649 1.711 -2.875 1.00 0.00 N ATOM 349 NH2 ARG A 23 -11.245 1.193 -1.319 1.00 0.00 N ATOM 0 H ARG A 23 -5.307 -3.697 -4.656 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.707 -1.212 -4.735 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.414 -3.385 -3.623 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.146 -3.152 -2.437 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.308 -2.483 -1.511 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.243 -1.096 -1.621 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.398 -0.269 -3.606 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.333 -1.745 -3.746 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.418 -1.124 -1.551 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.902 1.418 -3.504 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.922 2.693 -2.829 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.733 0.505 -0.745 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.515 2.176 -1.276 1.00 0.00 H new ATOM 363 N ILE A 24 -3.920 -1.331 -2.922 1.00 0.00 N ATOM 364 CA ILE A 24 -2.863 -0.516 -2.278 1.00 0.00 C ATOM 365 C ILE A 24 -2.385 0.578 -3.245 1.00 0.00 C ATOM 366 O ILE A 24 -2.361 1.764 -2.890 1.00 0.00 O ATOM 367 CB ILE A 24 -1.619 -1.384 -1.827 1.00 0.00 C ATOM 368 CG1 ILE A 24 -2.018 -2.433 -0.741 1.00 0.00 C ATOM 369 CG2 ILE A 24 -0.461 -0.483 -1.316 1.00 0.00 C ATOM 370 CD1 ILE A 24 -0.887 -3.354 -0.302 1.00 0.00 C ATOM 0 H ILE A 24 -3.700 -2.326 -2.959 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.303 -0.073 -1.385 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.267 -1.926 -2.705 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.398 -1.905 0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.836 -3.042 -1.126 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.379 -1.108 -1.013 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.145 0.190 -2.113 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.804 0.102 -0.463 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.256 -4.048 0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.520 -3.914 -1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.075 -2.759 0.117 1.00 0.00 H new ATOM 382 N LEU A 25 -2.068 0.156 -4.486 1.00 0.00 N ATOM 383 CA LEU A 25 -1.565 1.042 -5.544 1.00 0.00 C ATOM 384 C LEU A 25 -2.567 2.159 -5.852 1.00 0.00 C ATOM 385 O LEU A 25 -2.175 3.309 -6.028 1.00 0.00 O ATOM 386 CB LEU A 25 -1.266 0.214 -6.828 1.00 0.00 C ATOM 387 CG LEU A 25 -0.057 -0.759 -6.734 1.00 0.00 C ATOM 388 CD1 LEU A 25 0.033 -1.668 -7.981 1.00 0.00 C ATOM 389 CD2 LEU A 25 1.251 0.029 -6.512 1.00 0.00 C ATOM 0 H LEU A 25 -2.156 -0.817 -4.780 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.643 1.507 -5.194 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.155 -0.363 -7.082 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.089 0.906 -7.652 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.210 -1.411 -5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.889 -2.336 -7.883 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.880 -2.258 -8.068 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.153 -1.052 -8.872 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.088 -0.666 -6.448 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.410 0.713 -7.346 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.180 0.598 -5.585 1.00 0.00 H new ATOM 401 N GLN A 26 -3.867 1.804 -5.856 1.00 0.00 N ATOM 402 CA GLN A 26 -4.948 2.738 -6.200 1.00 0.00 C ATOM 403 C GLN A 26 -5.068 3.853 -5.144 1.00 0.00 C ATOM 404 O GLN A 26 -5.176 5.033 -5.497 1.00 0.00 O ATOM 405 CB GLN A 26 -6.297 1.991 -6.350 1.00 0.00 C ATOM 406 CG GLN A 26 -7.483 2.905 -6.735 1.00 0.00 C ATOM 407 CD GLN A 26 -8.842 2.206 -6.781 1.00 0.00 C ATOM 408 OE1 GLN A 26 -9.043 1.197 -5.939 1.00 0.00 O flip ATOM 409 NE2 GLN A 26 -9.722 2.587 -7.550 1.00 0.00 N flip ATOM 0 H GLN A 26 -4.192 0.866 -5.622 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.700 3.196 -7.157 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.189 1.215 -7.108 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.529 1.489 -5.411 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.537 3.727 -6.021 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.283 3.344 -7.712 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.542 3.364 -8.186 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.632 2.126 -7.552 1.00 0.00 H new ATOM 418 N VAL A 27 -5.030 3.462 -3.855 1.00 0.00 N ATOM 419 CA VAL A 27 -5.077 4.409 -2.716 1.00 0.00 C ATOM 420 C VAL A 27 -3.934 5.442 -2.831 1.00 0.00 C ATOM 421 O VAL A 27 -4.138 6.650 -2.645 1.00 0.00 O ATOM 422 CB VAL A 27 -4.970 3.653 -1.331 1.00 0.00 C ATOM 423 CG1 VAL A 27 -4.960 4.640 -0.137 1.00 0.00 C ATOM 424 CG2 VAL A 27 -6.099 2.609 -1.163 1.00 0.00 C ATOM 0 H VAL A 27 -4.966 2.484 -3.571 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.038 4.922 -2.753 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.018 3.123 -1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.885 4.082 0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.106 5.312 -0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.881 5.222 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.993 2.110 -0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.067 3.109 -1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.034 1.871 -1.963 1.00 0.00 H new ATOM 434 N LEU A 28 -2.748 4.939 -3.192 1.00 0.00 N ATOM 435 CA LEU A 28 -1.530 5.747 -3.313 1.00 0.00 C ATOM 436 C LEU A 28 -1.580 6.669 -4.547 1.00 0.00 C ATOM 437 O LEU A 28 -1.053 7.785 -4.499 1.00 0.00 O ATOM 438 CB LEU A 28 -0.299 4.813 -3.360 1.00 0.00 C ATOM 439 CG LEU A 28 -0.080 3.934 -2.093 1.00 0.00 C ATOM 440 CD1 LEU A 28 1.127 3.006 -2.271 1.00 0.00 C ATOM 441 CD2 LEU A 28 0.068 4.794 -0.827 1.00 0.00 C ATOM 0 H LEU A 28 -2.606 3.953 -3.410 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.452 6.396 -2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.395 4.157 -4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.592 5.421 -3.518 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.968 3.315 -1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.258 2.403 -1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.959 2.351 -3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.023 3.603 -2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.219 4.147 0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.925 5.459 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.835 5.387 -0.682 1.00 0.00 H new ATOM 453 N THR A 29 -2.207 6.200 -5.644 1.00 0.00 N ATOM 454 CA THR A 29 -2.342 6.974 -6.894 1.00 0.00 C ATOM 455 C THR A 29 -3.324 8.150 -6.732 1.00 0.00 C ATOM 456 O THR A 29 -3.029 9.275 -7.152 1.00 0.00 O ATOM 457 CB THR A 29 -2.809 6.067 -8.084 1.00 0.00 C ATOM 458 OG1 THR A 29 -1.957 4.917 -8.187 1.00 0.00 O ATOM 459 CG2 THR A 29 -2.796 6.820 -9.426 1.00 0.00 C ATOM 0 H THR A 29 -2.634 5.275 -5.688 1.00 0.00 H new ATOM 0 HA THR A 29 -1.353 7.372 -7.120 1.00 0.00 H new ATOM 0 HB THR A 29 -3.834 5.763 -7.874 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.164 4.290 -7.463 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.127 6.152 -10.221 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.467 7.677 -9.369 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.784 7.165 -9.640 1.00 0.00 H new ATOM 467 N GLU A 30 -4.484 7.883 -6.114 1.00 0.00 N ATOM 468 CA GLU A 30 -5.549 8.890 -5.937 1.00 0.00 C ATOM 469 C GLU A 30 -5.107 9.986 -4.963 1.00 0.00 C ATOM 470 O GLU A 30 -5.511 11.143 -5.099 1.00 0.00 O ATOM 471 CB GLU A 30 -6.842 8.216 -5.440 1.00 0.00 C ATOM 472 CG GLU A 30 -7.432 7.166 -6.402 1.00 0.00 C ATOM 473 CD GLU A 30 -8.626 6.418 -5.792 1.00 0.00 C ATOM 474 OE1 GLU A 30 -8.415 5.610 -4.868 1.00 0.00 O ATOM 475 OE2 GLU A 30 -9.781 6.646 -6.215 1.00 0.00 O ATOM 0 H GLU A 30 -4.713 6.969 -5.724 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.746 9.355 -6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.641 7.738 -4.481 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.592 8.987 -5.261 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.747 7.657 -7.323 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.657 6.449 -6.672 1.00 0.00 H new ATOM 482 N ALA A 31 -4.294 9.594 -3.973 1.00 0.00 N ATOM 483 CA ALA A 31 -3.641 10.536 -3.056 1.00 0.00 C ATOM 484 C ALA A 31 -2.546 11.325 -3.791 1.00 0.00 C ATOM 485 O ALA A 31 -2.441 12.547 -3.648 1.00 0.00 O ATOM 486 CB ALA A 31 -3.048 9.775 -1.865 1.00 0.00 C ATOM 0 H ALA A 31 -4.071 8.616 -3.786 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.383 11.244 -2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.565 10.479 -1.188 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.844 9.250 -1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.314 9.054 -2.223 1.00 0.00 H new ATOM 492 N GLY A 32 -1.736 10.599 -4.588 1.00 0.00 N ATOM 493 CA GLY A 32 -0.521 11.162 -5.190 1.00 0.00 C ATOM 494 C GLY A 32 0.489 11.595 -4.129 1.00 0.00 C ATOM 495 O GLY A 32 1.327 12.473 -4.363 1.00 0.00 O ATOM 0 H GLY A 32 -1.906 9.622 -4.827 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.064 10.422 -5.846 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.786 12.018 -5.811 1.00 0.00 H new ATOM 499 N SER A 33 0.391 10.948 -2.955 1.00 0.00 N ATOM 500 CA SER A 33 1.059 11.377 -1.722 1.00 0.00 C ATOM 501 C SER A 33 1.419 10.153 -0.854 1.00 0.00 C ATOM 502 O SER A 33 0.799 9.093 -0.991 1.00 0.00 O ATOM 503 CB SER A 33 0.126 12.333 -0.926 1.00 0.00 C ATOM 504 OG SER A 33 -0.228 13.476 -1.691 1.00 0.00 O ATOM 0 H SER A 33 -0.164 10.100 -2.838 1.00 0.00 H new ATOM 0 HA SER A 33 1.977 11.903 -1.983 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.777 11.798 -0.631 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.624 12.648 -0.009 1.00 0.00 H new ATOM 0 HG SER A 33 -0.929 13.236 -2.332 1.00 0.00 H new ATOM 510 N PRO A 34 2.455 10.279 0.030 1.00 0.00 N ATOM 511 CA PRO A 34 2.757 9.269 1.070 1.00 0.00 C ATOM 512 C PRO A 34 1.582 9.078 2.052 1.00 0.00 C ATOM 513 O PRO A 34 1.273 9.963 2.845 1.00 0.00 O ATOM 514 CB PRO A 34 4.006 9.852 1.785 1.00 0.00 C ATOM 515 CG PRO A 34 4.610 10.803 0.800 1.00 0.00 C ATOM 516 CD PRO A 34 3.442 11.395 0.056 1.00 0.00 C ATOM 0 HA PRO A 34 2.928 8.277 0.651 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.730 10.363 2.708 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.709 9.064 2.055 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.189 11.577 1.304 1.00 0.00 H new ATOM 0 HG3 PRO A 34 5.289 10.288 0.121 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.044 12.273 0.564 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.722 11.709 -0.950 1.00 0.00 H new ATOM 524 N VAL A 35 0.918 7.928 1.962 1.00 0.00 N ATOM 525 CA VAL A 35 -0.193 7.549 2.847 1.00 0.00 C ATOM 526 C VAL A 35 0.359 6.653 3.968 1.00 0.00 C ATOM 527 O VAL A 35 1.086 5.700 3.683 1.00 0.00 O ATOM 528 CB VAL A 35 -1.303 6.778 2.029 1.00 0.00 C ATOM 529 CG1 VAL A 35 -2.471 6.326 2.925 1.00 0.00 C ATOM 530 CG2 VAL A 35 -1.809 7.638 0.851 1.00 0.00 C ATOM 0 H VAL A 35 1.136 7.218 1.263 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.646 8.443 3.276 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.843 5.876 1.625 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.211 5.800 2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.097 5.659 3.702 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.934 7.198 3.387 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.573 7.088 0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.235 8.565 1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.977 7.868 0.185 1.00 0.00 H new ATOM 540 N LYS A 36 0.023 6.965 5.239 1.00 0.00 N ATOM 541 CA LYS A 36 0.475 6.167 6.397 1.00 0.00 C ATOM 542 C LYS A 36 -0.228 4.797 6.393 1.00 0.00 C ATOM 543 O LYS A 36 -1.329 4.686 5.867 1.00 0.00 O ATOM 544 CB LYS A 36 0.189 6.918 7.725 1.00 0.00 C ATOM 545 CG LYS A 36 0.962 8.250 7.907 1.00 0.00 C ATOM 546 CD LYS A 36 0.603 8.961 9.236 1.00 0.00 C ATOM 547 CE LYS A 36 1.345 10.294 9.436 1.00 0.00 C ATOM 548 NZ LYS A 36 1.000 10.928 10.748 1.00 0.00 N ATOM 0 H LYS A 36 -0.560 7.764 5.488 1.00 0.00 H new ATOM 0 HA LYS A 36 1.551 6.014 6.319 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.880 7.125 7.784 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.433 6.258 8.557 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.034 8.052 7.881 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.740 8.913 7.071 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.471 9.144 9.263 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.834 8.297 10.069 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.420 10.123 9.386 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.093 10.976 8.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.519 11.824 10.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.023 11.114 10.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.264 10.287 11.523 1.00 0.00 H new ATOM 562 N LEU A 37 0.426 3.784 6.990 1.00 0.00 N ATOM 563 CA LEU A 37 -0.088 2.398 7.044 1.00 0.00 C ATOM 564 C LEU A 37 -1.446 2.364 7.751 1.00 0.00 C ATOM 565 O LEU A 37 -2.375 1.720 7.278 1.00 0.00 O ATOM 566 CB LEU A 37 0.934 1.458 7.749 1.00 0.00 C ATOM 567 CG LEU A 37 0.520 -0.035 7.957 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.083 -0.713 6.638 1.00 0.00 C ATOM 569 CD2 LEU A 37 1.671 -0.827 8.636 1.00 0.00 C ATOM 0 H LEU A 37 1.329 3.901 7.451 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.224 2.037 6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.858 1.473 7.171 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.162 1.883 8.727 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.348 -0.043 8.616 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.195 -1.748 6.836 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.772 -0.181 6.222 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.908 -0.688 5.926 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.367 -1.865 8.774 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.559 -0.790 8.006 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.896 -0.383 9.606 1.00 0.00 H new ATOM 581 N ALA A 38 -1.519 3.075 8.884 1.00 0.00 N ATOM 582 CA ALA A 38 -2.768 3.352 9.612 1.00 0.00 C ATOM 583 C ALA A 38 -3.926 3.780 8.681 1.00 0.00 C ATOM 584 O ALA A 38 -5.035 3.242 8.784 1.00 0.00 O ATOM 585 CB ALA A 38 -2.506 4.434 10.659 1.00 0.00 C ATOM 0 H ALA A 38 -0.697 3.482 9.330 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.083 2.425 10.091 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.427 4.645 11.203 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.744 4.088 11.357 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.160 5.342 10.165 1.00 0.00 H new ATOM 591 N GLN A 39 -3.654 4.721 7.758 1.00 0.00 N ATOM 592 CA GLN A 39 -4.661 5.235 6.817 1.00 0.00 C ATOM 593 C GLN A 39 -4.897 4.225 5.679 1.00 0.00 C ATOM 594 O GLN A 39 -6.031 4.055 5.231 1.00 0.00 O ATOM 595 CB GLN A 39 -4.203 6.607 6.258 1.00 0.00 C ATOM 596 CG GLN A 39 -5.223 7.326 5.344 1.00 0.00 C ATOM 597 CD GLN A 39 -4.717 8.678 4.819 1.00 0.00 C ATOM 598 OE1 GLN A 39 -3.516 8.884 4.646 1.00 0.00 O ATOM 599 NE2 GLN A 39 -5.617 9.612 4.570 1.00 0.00 N ATOM 0 H GLN A 39 -2.733 5.144 7.645 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.606 5.373 7.343 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.968 7.262 7.097 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.279 6.462 5.699 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.461 6.681 4.498 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.150 7.482 5.897 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.607 9.419 4.721 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.322 10.526 4.227 1.00 0.00 H new ATOM 608 N LEU A 40 -3.817 3.515 5.264 1.00 0.00 N ATOM 609 CA LEU A 40 -3.869 2.495 4.191 1.00 0.00 C ATOM 610 C LEU A 40 -4.902 1.410 4.527 1.00 0.00 C ATOM 611 O LEU A 40 -5.641 0.999 3.657 1.00 0.00 O ATOM 612 CB LEU A 40 -2.466 1.837 3.950 1.00 0.00 C ATOM 613 CG LEU A 40 -1.458 2.637 3.063 1.00 0.00 C ATOM 614 CD1 LEU A 40 -0.076 1.939 3.020 1.00 0.00 C ATOM 615 CD2 LEU A 40 -2.020 2.829 1.633 1.00 0.00 C ATOM 0 H LEU A 40 -2.887 3.635 5.665 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.167 3.003 3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.001 1.662 4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.622 0.861 3.491 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.322 3.620 3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.605 2.518 2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.328 1.870 4.030 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.187 0.938 2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.303 3.388 1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.194 1.855 1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.959 3.380 1.682 1.00 0.00 H new ATOM 627 N VAL A 41 -4.931 0.992 5.803 1.00 0.00 N ATOM 628 CA VAL A 41 -5.853 -0.049 6.307 1.00 0.00 C ATOM 629 C VAL A 41 -7.314 0.279 5.972 1.00 0.00 C ATOM 630 O VAL A 41 -7.994 -0.491 5.281 1.00 0.00 O ATOM 631 CB VAL A 41 -5.701 -0.252 7.860 1.00 0.00 C ATOM 632 CG1 VAL A 41 -6.695 -1.303 8.404 1.00 0.00 C ATOM 633 CG2 VAL A 41 -4.255 -0.637 8.229 1.00 0.00 C ATOM 0 H VAL A 41 -4.312 1.367 6.522 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.580 -0.976 5.804 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.937 0.702 8.331 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.556 -1.412 9.480 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.715 -0.978 8.201 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.515 -2.261 7.916 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.178 -0.771 9.308 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.987 -1.567 7.728 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.576 0.155 7.913 1.00 0.00 H new ATOM 643 N LYS A 42 -7.762 1.464 6.409 1.00 0.00 N ATOM 644 CA LYS A 42 -9.179 1.840 6.341 1.00 0.00 C ATOM 645 C LYS A 42 -9.597 2.187 4.898 1.00 0.00 C ATOM 646 O LYS A 42 -10.726 1.891 4.500 1.00 0.00 O ATOM 647 CB LYS A 42 -9.480 2.999 7.336 1.00 0.00 C ATOM 648 CG LYS A 42 -8.731 4.313 7.060 1.00 0.00 C ATOM 649 CD LYS A 42 -8.930 5.363 8.177 1.00 0.00 C ATOM 650 CE LYS A 42 -8.365 6.732 7.784 1.00 0.00 C ATOM 651 NZ LYS A 42 -9.119 7.337 6.651 1.00 0.00 N ATOM 0 H LYS A 42 -7.160 2.181 6.815 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.781 0.983 6.642 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.551 3.200 7.320 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.233 2.664 8.344 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.667 4.103 6.951 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.073 4.729 6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.993 5.459 8.399 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.444 5.018 9.090 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.402 7.401 8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.316 6.626 7.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.762 8.297 6.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.993 6.754 5.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.130 7.383 6.892 1.00 0.00 H new ATOM 665 N GLU A 43 -8.688 2.802 4.118 1.00 0.00 N ATOM 666 CA GLU A 43 -8.943 3.129 2.704 1.00 0.00 C ATOM 667 C GLU A 43 -8.996 1.870 1.819 1.00 0.00 C ATOM 668 O GLU A 43 -9.902 1.731 1.006 1.00 0.00 O ATOM 669 CB GLU A 43 -7.861 4.106 2.184 1.00 0.00 C ATOM 670 CG GLU A 43 -7.729 5.411 3.000 1.00 0.00 C ATOM 671 CD GLU A 43 -9.051 6.185 3.155 1.00 0.00 C ATOM 672 OE1 GLU A 43 -9.404 6.969 2.250 1.00 0.00 O ATOM 673 OE2 GLU A 43 -9.743 6.021 4.187 1.00 0.00 O ATOM 0 H GLU A 43 -7.765 3.084 4.447 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.921 3.606 2.647 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.898 3.595 2.183 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.088 4.361 1.149 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.341 5.171 3.990 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.995 6.057 2.518 1.00 0.00 H new ATOM 680 N CYS A 44 -8.026 0.949 1.995 1.00 0.00 N ATOM 681 CA CYS A 44 -7.963 -0.299 1.200 1.00 0.00 C ATOM 682 C CYS A 44 -9.064 -1.280 1.626 1.00 0.00 C ATOM 683 O CYS A 44 -9.398 -2.188 0.862 1.00 0.00 O ATOM 684 CB CYS A 44 -6.587 -0.982 1.338 1.00 0.00 C ATOM 685 SG CYS A 44 -6.278 -1.633 2.985 1.00 0.00 S ATOM 0 H CYS A 44 -7.276 1.044 2.679 1.00 0.00 H new ATOM 0 HA CYS A 44 -8.116 -0.023 0.157 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.518 -1.795 0.615 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.806 -0.264 1.086 1.00 0.00 H new ATOM 0 HG CYS A 44 -5.966 -0.658 3.786 1.00 0.00 H new ATOM 691 N GLN A 45 -9.610 -1.072 2.855 1.00 0.00 N ATOM 692 CA GLN A 45 -10.676 -1.910 3.446 1.00 0.00 C ATOM 693 C GLN A 45 -10.151 -3.347 3.688 1.00 0.00 C ATOM 694 O GLN A 45 -10.885 -4.339 3.546 1.00 0.00 O ATOM 695 CB GLN A 45 -11.950 -1.877 2.555 1.00 0.00 C ATOM 696 CG GLN A 45 -12.580 -0.480 2.402 1.00 0.00 C ATOM 697 CD GLN A 45 -13.682 -0.421 1.339 1.00 0.00 C ATOM 698 OE1 GLN A 45 -13.416 -0.136 0.169 1.00 0.00 O ATOM 699 NE2 GLN A 45 -14.911 -0.702 1.741 1.00 0.00 N ATOM 0 H GLN A 45 -9.316 -0.309 3.465 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.962 -1.506 4.417 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.697 -2.259 1.566 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.693 -2.553 2.978 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.994 -0.170 3.361 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.799 0.236 2.145 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -15.088 -0.933 2.719 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -15.682 -0.688 1.073 1.00 0.00 H new ATOM 708 N ALA A 46 -8.874 -3.422 4.108 1.00 0.00 N ATOM 709 CA ALA A 46 -8.132 -4.686 4.260 1.00 0.00 C ATOM 710 C ALA A 46 -7.354 -4.735 5.597 1.00 0.00 C ATOM 711 O ALA A 46 -7.091 -3.680 6.186 1.00 0.00 O ATOM 712 CB ALA A 46 -7.172 -4.836 3.075 1.00 0.00 C ATOM 0 H ALA A 46 -8.324 -2.599 4.353 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.842 -5.513 4.274 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.615 -5.768 3.174 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.741 -4.850 2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.476 -3.997 3.062 1.00 0.00 H new ATOM 718 N PRO A 47 -6.972 -5.959 6.094 1.00 0.00 N ATOM 719 CA PRO A 47 -6.182 -6.099 7.337 1.00 0.00 C ATOM 720 C PRO A 47 -4.710 -5.664 7.139 1.00 0.00 C ATOM 721 O PRO A 47 -4.071 -6.010 6.136 1.00 0.00 O ATOM 722 CB PRO A 47 -6.293 -7.611 7.664 1.00 0.00 C ATOM 723 CG PRO A 47 -6.495 -8.275 6.343 1.00 0.00 C ATOM 724 CD PRO A 47 -7.284 -7.294 5.498 1.00 0.00 C ATOM 0 HA PRO A 47 -6.549 -5.462 8.142 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.392 -7.976 8.156 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.127 -7.809 8.338 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.539 -8.512 5.875 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.036 -9.214 6.457 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.986 -7.342 4.451 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.352 -7.506 5.535 1.00 0.00 H new ATOM 732 N LYS A 48 -4.210 -4.881 8.110 1.00 0.00 N ATOM 733 CA LYS A 48 -2.806 -4.432 8.187 1.00 0.00 C ATOM 734 C LYS A 48 -1.791 -5.588 8.038 1.00 0.00 C ATOM 735 O LYS A 48 -0.709 -5.379 7.509 1.00 0.00 O ATOM 736 CB LYS A 48 -2.590 -3.697 9.528 1.00 0.00 C ATOM 737 CG LYS A 48 -1.201 -3.076 9.707 1.00 0.00 C ATOM 738 CD LYS A 48 -1.043 -2.375 11.072 1.00 0.00 C ATOM 739 CE LYS A 48 -1.994 -1.181 11.258 1.00 0.00 C ATOM 740 NZ LYS A 48 -1.902 -0.607 12.631 1.00 0.00 N ATOM 0 H LYS A 48 -4.781 -4.534 8.880 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.626 -3.760 7.348 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.338 -2.910 9.619 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.766 -4.399 10.343 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.443 -3.853 9.611 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.022 -2.356 8.909 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.221 -3.099 11.867 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.014 -2.031 11.179 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.756 -0.410 10.525 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.019 -1.499 11.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.558 0.195 12.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.153 -1.336 13.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.930 -0.280 12.806 1.00 0.00 H new ATOM 754 N ARG A 49 -2.162 -6.793 8.505 1.00 0.00 N ATOM 755 CA ARG A 49 -1.304 -7.994 8.386 1.00 0.00 C ATOM 756 C ARG A 49 -1.023 -8.334 6.908 1.00 0.00 C ATOM 757 O ARG A 49 0.135 -8.560 6.527 1.00 0.00 O ATOM 758 CB ARG A 49 -1.956 -9.208 9.087 1.00 0.00 C ATOM 759 CG ARG A 49 -2.204 -9.034 10.601 1.00 0.00 C ATOM 760 CD ARG A 49 -0.908 -8.786 11.400 1.00 0.00 C ATOM 761 NE ARG A 49 -1.156 -8.686 12.841 1.00 0.00 N ATOM 762 CZ ARG A 49 -0.240 -8.373 13.772 1.00 0.00 C ATOM 763 NH1 ARG A 49 1.035 -8.111 13.428 1.00 0.00 N ATOM 764 NH2 ARG A 49 -0.592 -8.352 15.047 1.00 0.00 N ATOM 0 H ARG A 49 -3.053 -6.965 8.971 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.357 -7.769 8.877 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.908 -9.421 8.601 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.319 -10.080 8.937 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.886 -8.199 10.758 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.697 -9.926 10.987 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.205 -9.597 11.210 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.437 -7.867 11.050 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.106 -8.870 13.165 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.317 -8.149 12.448 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.719 -7.875 14.147 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.551 -8.572 15.315 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.096 -8.116 15.762 1.00 0.00 H new ATOM 778 N GLU A 50 -2.099 -8.363 6.095 1.00 0.00 N ATOM 779 CA GLU A 50 -2.010 -8.660 4.660 1.00 0.00 C ATOM 780 C GLU A 50 -1.234 -7.550 3.925 1.00 0.00 C ATOM 781 O GLU A 50 -0.316 -7.837 3.139 1.00 0.00 O ATOM 782 CB GLU A 50 -3.437 -8.812 4.054 1.00 0.00 C ATOM 783 CG GLU A 50 -3.469 -9.391 2.629 1.00 0.00 C ATOM 784 CD GLU A 50 -2.802 -10.770 2.535 1.00 0.00 C ATOM 785 OE1 GLU A 50 -3.366 -11.752 3.066 1.00 0.00 O ATOM 786 OE2 GLU A 50 -1.700 -10.879 1.956 1.00 0.00 O ATOM 0 H GLU A 50 -3.049 -8.181 6.419 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.471 -9.599 4.533 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.028 -9.455 4.707 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.920 -7.835 4.046 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.504 -9.469 2.296 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.967 -8.702 1.950 1.00 0.00 H new ATOM 793 N LEU A 51 -1.601 -6.284 4.240 1.00 0.00 N ATOM 794 CA LEU A 51 -0.981 -5.082 3.648 1.00 0.00 C ATOM 795 C LEU A 51 0.539 -5.101 3.847 1.00 0.00 C ATOM 796 O LEU A 51 1.282 -5.117 2.884 1.00 0.00 O ATOM 797 CB LEU A 51 -1.550 -3.797 4.303 1.00 0.00 C ATOM 798 CG LEU A 51 -3.063 -3.533 4.100 1.00 0.00 C ATOM 799 CD1 LEU A 51 -3.517 -2.343 4.955 1.00 0.00 C ATOM 800 CD2 LEU A 51 -3.393 -3.305 2.617 1.00 0.00 C ATOM 0 H LEU A 51 -2.337 -6.071 4.913 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.210 -5.084 2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.352 -3.843 5.374 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.998 -2.942 3.913 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.610 -4.418 4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.582 -2.170 4.801 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.333 -2.560 6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.959 -1.453 4.665 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.462 -3.122 2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.837 -2.442 2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.114 -4.188 2.042 1.00 0.00 H new ATOM 812 N ASN A 52 0.943 -5.161 5.133 1.00 0.00 N ATOM 813 CA ASN A 52 2.341 -5.076 5.601 1.00 0.00 C ATOM 814 C ASN A 52 3.277 -6.005 4.809 1.00 0.00 C ATOM 815 O ASN A 52 4.261 -5.542 4.233 1.00 0.00 O ATOM 816 CB ASN A 52 2.395 -5.398 7.120 1.00 0.00 C ATOM 817 CG ASN A 52 3.772 -5.163 7.748 1.00 0.00 C ATOM 818 OD1 ASN A 52 4.607 -6.066 7.804 1.00 0.00 O ATOM 819 ND2 ASN A 52 4.021 -3.944 8.223 1.00 0.00 N ATOM 0 H ASN A 52 0.281 -5.274 5.901 1.00 0.00 H new ATOM 0 HA ASN A 52 2.696 -4.060 5.430 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.659 -4.785 7.639 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.108 -6.438 7.273 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.925 -3.737 8.648 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.308 -3.217 8.162 1.00 0.00 H new ATOM 826 N GLN A 53 2.905 -7.297 4.741 1.00 0.00 N ATOM 827 CA GLN A 53 3.656 -8.324 3.981 1.00 0.00 C ATOM 828 C GLN A 53 3.826 -7.949 2.496 1.00 0.00 C ATOM 829 O GLN A 53 4.947 -8.007 1.963 1.00 0.00 O ATOM 830 CB GLN A 53 2.948 -9.690 4.090 1.00 0.00 C ATOM 831 CG GLN A 53 2.793 -10.238 5.521 1.00 0.00 C ATOM 832 CD GLN A 53 1.939 -11.511 5.599 1.00 0.00 C ATOM 833 OE1 GLN A 53 0.922 -11.630 4.747 1.00 0.00 O flip ATOM 834 NE2 GLN A 53 2.173 -12.369 6.442 1.00 0.00 N flip ATOM 0 H GLN A 53 2.076 -7.662 5.210 1.00 0.00 H new ATOM 0 HA GLN A 53 4.651 -8.383 4.423 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.958 -9.604 3.642 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.504 -10.417 3.498 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.781 -10.447 5.931 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.344 -9.469 6.149 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.958 -12.254 7.083 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.583 -13.198 6.503 1.00 0.00 H new ATOM 843 N VAL A 54 2.711 -7.553 1.852 1.00 0.00 N ATOM 844 CA VAL A 54 2.701 -7.192 0.426 1.00 0.00 C ATOM 845 C VAL A 54 3.581 -5.955 0.171 1.00 0.00 C ATOM 846 O VAL A 54 4.381 -5.952 -0.762 1.00 0.00 O ATOM 847 CB VAL A 54 1.225 -6.952 -0.078 1.00 0.00 C ATOM 848 CG1 VAL A 54 1.178 -6.375 -1.510 1.00 0.00 C ATOM 849 CG2 VAL A 54 0.401 -8.260 0.009 1.00 0.00 C ATOM 0 H VAL A 54 1.800 -7.476 2.304 1.00 0.00 H new ATOM 0 HA VAL A 54 3.119 -8.024 -0.141 1.00 0.00 H new ATOM 0 HB VAL A 54 0.779 -6.207 0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.140 -6.228 -1.809 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.701 -5.419 -1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.659 -7.070 -2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.614 -8.075 -0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.866 -9.025 -0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.370 -8.602 1.043 1.00 0.00 H new ATOM 859 N LEU A 55 3.451 -4.951 1.056 1.00 0.00 N ATOM 860 CA LEU A 55 4.147 -3.657 0.980 1.00 0.00 C ATOM 861 C LEU A 55 5.664 -3.782 0.782 1.00 0.00 C ATOM 862 O LEU A 55 6.217 -3.072 -0.056 1.00 0.00 O ATOM 863 CB LEU A 55 3.831 -2.798 2.236 1.00 0.00 C ATOM 864 CG LEU A 55 2.384 -2.213 2.302 1.00 0.00 C ATOM 865 CD1 LEU A 55 2.086 -1.609 3.685 1.00 0.00 C ATOM 866 CD2 LEU A 55 2.160 -1.173 1.183 1.00 0.00 C ATOM 0 H LEU A 55 2.839 -5.021 1.869 1.00 0.00 H new ATOM 0 HA LEU A 55 3.766 -3.159 0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.999 -3.408 3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.541 -1.972 2.278 1.00 0.00 H new ATOM 0 HG LEU A 55 1.686 -3.035 2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.071 -1.211 3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.182 -2.382 4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.793 -0.806 3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.146 -0.780 1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.874 -0.357 1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.303 -1.647 0.212 1.00 0.00 H new ATOM 878 N TYR A 56 6.336 -4.695 1.514 1.00 0.00 N ATOM 879 CA TYR A 56 7.802 -4.862 1.398 1.00 0.00 C ATOM 880 C TYR A 56 8.207 -5.552 0.082 1.00 0.00 C ATOM 881 O TYR A 56 9.285 -5.275 -0.441 1.00 0.00 O ATOM 882 CB TYR A 56 8.363 -5.653 2.601 1.00 0.00 C ATOM 883 CG TYR A 56 8.177 -4.950 3.957 1.00 0.00 C ATOM 884 CD1 TYR A 56 8.986 -3.877 4.339 1.00 0.00 C ATOM 885 CD2 TYR A 56 7.190 -5.359 4.850 1.00 0.00 C ATOM 886 CE1 TYR A 56 8.808 -3.247 5.559 1.00 0.00 C ATOM 887 CE2 TYR A 56 7.014 -4.729 6.061 1.00 0.00 C ATOM 888 CZ TYR A 56 7.823 -3.681 6.414 1.00 0.00 C ATOM 889 OH TYR A 56 7.651 -3.062 7.630 1.00 0.00 O ATOM 0 H TYR A 56 5.893 -5.322 2.185 1.00 0.00 H new ATOM 0 HA TYR A 56 8.233 -3.861 1.395 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.877 -6.628 2.640 1.00 0.00 H new ATOM 0 HB3 TYR A 56 9.426 -5.833 2.440 1.00 0.00 H new ATOM 0 HD1 TYR A 56 9.763 -3.533 3.672 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.549 -6.188 4.587 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.441 -2.417 5.838 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.237 -5.061 6.734 1.00 0.00 H new ATOM 0 HH TYR A 56 6.913 -3.489 8.113 1.00 0.00 H new ATOM 899 N ARG A 57 7.345 -6.443 -0.450 1.00 0.00 N ATOM 900 CA ARG A 57 7.618 -7.150 -1.719 1.00 0.00 C ATOM 901 C ARG A 57 7.442 -6.195 -2.906 1.00 0.00 C ATOM 902 O ARG A 57 8.342 -6.054 -3.738 1.00 0.00 O ATOM 903 CB ARG A 57 6.695 -8.392 -1.880 1.00 0.00 C ATOM 904 CG ARG A 57 6.785 -9.072 -3.271 1.00 0.00 C ATOM 905 CD ARG A 57 6.016 -10.394 -3.370 1.00 0.00 C ATOM 906 NE ARG A 57 5.885 -10.862 -4.771 1.00 0.00 N ATOM 907 CZ ARG A 57 6.690 -11.737 -5.390 1.00 0.00 C ATOM 908 NH1 ARG A 57 7.729 -12.278 -4.760 1.00 0.00 N ATOM 909 NH2 ARG A 57 6.434 -12.082 -6.646 1.00 0.00 N ATOM 0 H ARG A 57 6.454 -6.690 -0.020 1.00 0.00 H new ATOM 0 HA ARG A 57 8.650 -7.500 -1.697 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.951 -9.123 -1.113 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.663 -8.090 -1.701 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.403 -8.384 -4.026 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.833 -9.255 -3.507 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.528 -11.155 -2.781 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.024 -10.269 -2.936 1.00 0.00 H new ATOM 0 HE ARG A 57 5.110 -10.483 -5.315 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.924 -12.029 -3.790 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.331 -12.942 -5.247 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.631 -11.682 -7.131 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.040 -12.747 -7.126 1.00 0.00 H new ATOM 923 N MET A 58 6.277 -5.522 -2.955 1.00 0.00 N ATOM 924 CA MET A 58 5.954 -4.550 -4.010 1.00 0.00 C ATOM 925 C MET A 58 6.887 -3.320 -3.928 1.00 0.00 C ATOM 926 O MET A 58 7.028 -2.587 -4.900 1.00 0.00 O ATOM 927 CB MET A 58 4.449 -4.157 -3.924 1.00 0.00 C ATOM 928 CG MET A 58 4.063 -3.350 -2.683 1.00 0.00 C ATOM 929 SD MET A 58 2.280 -3.271 -2.373 1.00 0.00 S ATOM 930 CE MET A 58 1.653 -2.543 -3.881 1.00 0.00 C ATOM 0 H MET A 58 5.536 -5.638 -2.264 1.00 0.00 H new ATOM 0 HA MET A 58 6.123 -5.007 -4.985 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.188 -3.579 -4.811 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.849 -5.067 -3.949 1.00 0.00 H new ATOM 0 HG2 MET A 58 4.553 -3.787 -1.813 1.00 0.00 H new ATOM 0 HG3 MET A 58 4.447 -2.335 -2.789 1.00 0.00 H new ATOM 0 HE1 MET A 58 0.648 -2.919 -4.076 1.00 0.00 H new ATOM 0 HE2 MET A 58 1.621 -1.459 -3.776 1.00 0.00 H new ATOM 0 HE3 MET A 58 2.307 -2.807 -4.712 1.00 0.00 H new ATOM 940 N LYS A 59 7.522 -3.119 -2.759 1.00 0.00 N ATOM 941 CA LYS A 59 8.581 -2.105 -2.568 1.00 0.00 C ATOM 942 C LYS A 59 9.823 -2.448 -3.410 1.00 0.00 C ATOM 943 O LYS A 59 10.400 -1.575 -4.068 1.00 0.00 O ATOM 944 CB LYS A 59 8.958 -2.024 -1.073 1.00 0.00 C ATOM 945 CG LYS A 59 9.916 -0.884 -0.708 1.00 0.00 C ATOM 946 CD LYS A 59 10.376 -0.939 0.765 1.00 0.00 C ATOM 947 CE LYS A 59 11.222 0.274 1.144 1.00 0.00 C ATOM 948 NZ LYS A 59 12.459 0.394 0.329 1.00 0.00 N ATOM 0 H LYS A 59 7.316 -3.656 -1.916 1.00 0.00 H new ATOM 0 HA LYS A 59 8.203 -1.138 -2.898 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.045 -1.912 -0.489 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.412 -2.969 -0.776 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.789 -0.927 -1.359 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.425 0.071 -0.895 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.503 -0.990 1.416 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.952 -1.849 0.932 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.625 1.178 1.025 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.492 0.207 2.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.034 1.184 0.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.005 -0.489 0.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.205 0.571 -0.664 1.00 0.00 H new ATOM 962 N LYS A 60 10.211 -3.741 -3.384 1.00 0.00 N ATOM 963 CA LYS A 60 11.360 -4.265 -4.147 1.00 0.00 C ATOM 964 C LYS A 60 11.092 -4.191 -5.657 1.00 0.00 C ATOM 965 O LYS A 60 12.014 -4.024 -6.457 1.00 0.00 O ATOM 966 CB LYS A 60 11.623 -5.739 -3.753 1.00 0.00 C ATOM 967 CG LYS A 60 11.807 -5.973 -2.247 1.00 0.00 C ATOM 968 CD LYS A 60 11.997 -7.464 -1.879 1.00 0.00 C ATOM 969 CE LYS A 60 11.997 -7.685 -0.362 1.00 0.00 C ATOM 970 NZ LYS A 60 12.999 -6.830 0.337 1.00 0.00 N ATOM 0 H LYS A 60 9.733 -4.452 -2.830 1.00 0.00 H new ATOM 0 HA LYS A 60 12.232 -3.654 -3.911 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.791 -6.349 -4.104 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.515 -6.087 -4.273 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.672 -5.407 -1.901 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.938 -5.583 -1.717 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.200 -8.054 -2.331 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.937 -7.824 -2.298 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.004 -7.473 0.033 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.207 -8.733 -0.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.069 -7.121 1.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.926 -6.937 -0.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.701 -5.835 0.288 1.00 0.00 H new ATOM 984 N GLU A 61 9.805 -4.337 -6.008 1.00 0.00 N ATOM 985 CA GLU A 61 9.314 -4.272 -7.393 1.00 0.00 C ATOM 986 C GLU A 61 9.060 -2.813 -7.828 1.00 0.00 C ATOM 987 O GLU A 61 8.504 -2.582 -8.908 1.00 0.00 O ATOM 988 CB GLU A 61 8.020 -5.108 -7.499 1.00 0.00 C ATOM 989 CG GLU A 61 8.178 -6.575 -7.052 1.00 0.00 C ATOM 990 CD GLU A 61 6.843 -7.325 -7.035 1.00 0.00 C ATOM 991 OE1 GLU A 61 6.018 -7.051 -6.147 1.00 0.00 O ATOM 992 OE2 GLU A 61 6.592 -8.166 -7.930 1.00 0.00 O ATOM 0 H GLU A 61 9.065 -4.506 -5.327 1.00 0.00 H new ATOM 0 HA GLU A 61 10.071 -4.679 -8.063 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.246 -4.637 -6.894 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.672 -5.090 -8.532 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.870 -7.084 -7.723 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.621 -6.603 -6.056 1.00 0.00 H new ATOM 999 N LEU A 62 9.440 -1.841 -6.954 1.00 0.00 N ATOM 1000 CA LEU A 62 9.351 -0.375 -7.217 1.00 0.00 C ATOM 1001 C LEU A 62 7.880 0.113 -7.348 1.00 0.00 C ATOM 1002 O LEU A 62 7.649 1.250 -7.748 1.00 0.00 O ATOM 1003 CB LEU A 62 10.207 0.047 -8.466 1.00 0.00 C ATOM 1004 CG LEU A 62 11.752 0.223 -8.255 1.00 0.00 C ATOM 1005 CD1 LEU A 62 12.060 1.362 -7.264 1.00 0.00 C ATOM 1006 CD2 LEU A 62 12.426 -1.094 -7.814 1.00 0.00 C ATOM 0 H LEU A 62 9.823 -2.056 -6.033 1.00 0.00 H new ATOM 0 HA LEU A 62 9.775 0.122 -6.345 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.056 -0.700 -9.246 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.809 0.988 -8.845 1.00 0.00 H new ATOM 0 HG LEU A 62 12.175 0.498 -9.221 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.139 1.456 -7.142 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.656 2.298 -7.649 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.604 1.139 -6.300 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.495 -0.928 -7.679 1.00 0.00 H new ATOM 0 HD22 LEU A 62 11.989 -1.429 -6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.271 -1.856 -8.578 1.00 0.00 H new ATOM 1018 N LYS A 63 6.905 -0.751 -6.993 1.00 0.00 N ATOM 1019 CA LYS A 63 5.463 -0.426 -7.050 1.00 0.00 C ATOM 1020 C LYS A 63 5.095 0.590 -5.952 1.00 0.00 C ATOM 1021 O LYS A 63 4.233 1.452 -6.158 1.00 0.00 O ATOM 1022 CB LYS A 63 4.622 -1.719 -6.895 1.00 0.00 C ATOM 1023 CG LYS A 63 4.866 -2.779 -7.989 1.00 0.00 C ATOM 1024 CD LYS A 63 4.148 -4.114 -7.693 1.00 0.00 C ATOM 1025 CE LYS A 63 4.411 -5.186 -8.757 1.00 0.00 C ATOM 1026 NZ LYS A 63 3.892 -6.520 -8.345 1.00 0.00 N ATOM 0 H LYS A 63 7.096 -1.695 -6.658 1.00 0.00 H new ATOM 0 HA LYS A 63 5.243 0.023 -8.019 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.838 -2.163 -5.923 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.565 -1.452 -6.896 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.523 -2.391 -8.948 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.937 -2.960 -8.082 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.473 -4.487 -6.722 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.075 -3.935 -7.623 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.942 -4.889 -9.695 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.483 -5.256 -8.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.625 -7.241 -8.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.638 -6.497 -7.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.050 -6.754 -8.909 1.00 0.00 H new ATOM 1040 N VAL A 64 5.765 0.470 -4.784 1.00 0.00 N ATOM 1041 CA VAL A 64 5.627 1.431 -3.665 1.00 0.00 C ATOM 1042 C VAL A 64 7.014 1.805 -3.130 1.00 0.00 C ATOM 1043 O VAL A 64 7.988 1.073 -3.326 1.00 0.00 O ATOM 1044 CB VAL A 64 4.743 0.899 -2.468 1.00 0.00 C ATOM 1045 CG1 VAL A 64 3.361 0.448 -2.951 1.00 0.00 C ATOM 1046 CG2 VAL A 64 5.452 -0.220 -1.679 1.00 0.00 C ATOM 0 H VAL A 64 6.414 -0.292 -4.590 1.00 0.00 H new ATOM 0 HA VAL A 64 5.113 2.300 -4.076 1.00 0.00 H new ATOM 0 HB VAL A 64 4.600 1.734 -1.782 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.779 0.088 -2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.845 1.289 -3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.474 -0.354 -3.680 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.808 -0.556 -0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.663 -1.057 -2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.387 0.161 -1.268 1.00 0.00 H new ATOM 1056 N SER A 65 7.065 2.935 -2.426 1.00 0.00 N ATOM 1057 CA SER A 65 8.261 3.422 -1.740 1.00 0.00 C ATOM 1058 C SER A 65 7.908 3.662 -0.274 1.00 0.00 C ATOM 1059 O SER A 65 6.758 3.965 0.033 1.00 0.00 O ATOM 1060 CB SER A 65 8.753 4.730 -2.407 1.00 0.00 C ATOM 1061 OG SER A 65 9.002 4.530 -3.788 1.00 0.00 O ATOM 0 H SER A 65 6.259 3.550 -2.314 1.00 0.00 H new ATOM 0 HA SER A 65 9.064 2.688 -1.806 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.005 5.513 -2.278 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.663 5.074 -1.915 1.00 0.00 H new ATOM 0 HG SER A 65 9.310 5.369 -4.190 1.00 0.00 H new ATOM 1067 N LEU A 66 8.882 3.521 0.633 1.00 0.00 N ATOM 1068 CA LEU A 66 8.693 3.811 2.059 1.00 0.00 C ATOM 1069 C LEU A 66 9.382 5.149 2.343 1.00 0.00 C ATOM 1070 O LEU A 66 10.613 5.239 2.369 1.00 0.00 O ATOM 1071 CB LEU A 66 9.272 2.661 2.925 1.00 0.00 C ATOM 1072 CG LEU A 66 9.116 2.786 4.472 1.00 0.00 C ATOM 1073 CD1 LEU A 66 7.638 2.895 4.890 1.00 0.00 C ATOM 1074 CD2 LEU A 66 9.807 1.597 5.180 1.00 0.00 C ATOM 0 H LEU A 66 9.822 3.203 0.399 1.00 0.00 H new ATOM 0 HA LEU A 66 7.635 3.883 2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.798 1.731 2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.334 2.570 2.699 1.00 0.00 H new ATOM 0 HG LEU A 66 9.606 3.709 4.783 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.572 2.980 5.975 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.194 3.777 4.429 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.101 2.005 4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.690 1.698 6.259 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.351 0.663 4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.868 1.591 4.929 1.00 0.00 H new ATOM 1086 N THR A 67 8.573 6.189 2.496 1.00 0.00 N ATOM 1087 CA THR A 67 9.042 7.577 2.619 1.00 0.00 C ATOM 1088 C THR A 67 9.346 7.926 4.088 1.00 0.00 C ATOM 1089 O THR A 67 10.374 8.536 4.402 1.00 0.00 O ATOM 1090 CB THR A 67 7.969 8.547 2.045 1.00 0.00 C ATOM 1091 OG1 THR A 67 6.713 8.309 2.696 1.00 0.00 O ATOM 1092 CG2 THR A 67 7.798 8.370 0.520 1.00 0.00 C ATOM 0 H THR A 67 7.558 6.099 2.540 1.00 0.00 H new ATOM 0 HA THR A 67 9.965 7.684 2.049 1.00 0.00 H new ATOM 0 HB THR A 67 8.304 9.567 2.231 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.452 9.105 3.204 1.00 0.00 H new ATOM 0 HG21 THR A 67 7.041 9.064 0.156 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.746 8.573 0.022 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.487 7.348 0.305 1.00 0.00 H new ATOM 1100 N SER A 68 8.452 7.490 4.976 1.00 0.00 N ATOM 1101 CA SER A 68 8.491 7.813 6.408 1.00 0.00 C ATOM 1102 C SER A 68 8.110 6.555 7.233 1.00 0.00 C ATOM 1103 O SER A 68 7.738 5.545 6.628 1.00 0.00 O ATOM 1104 CB SER A 68 7.528 8.998 6.671 1.00 0.00 C ATOM 1105 OG SER A 68 7.857 10.110 5.856 1.00 0.00 O ATOM 0 H SER A 68 7.666 6.892 4.719 1.00 0.00 H new ATOM 0 HA SER A 68 9.493 8.111 6.715 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.502 8.688 6.473 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.577 9.285 7.721 1.00 0.00 H new ATOM 0 HG SER A 68 7.235 10.845 6.038 1.00 0.00 H new ATOM 1111 N PRO A 69 8.264 6.557 8.607 1.00 0.00 N ATOM 1112 CA PRO A 69 7.798 5.446 9.488 1.00 0.00 C ATOM 1113 C PRO A 69 6.389 4.905 9.132 1.00 0.00 C ATOM 1114 O PRO A 69 5.379 5.598 9.326 1.00 0.00 O ATOM 1115 CB PRO A 69 7.821 6.095 10.889 1.00 0.00 C ATOM 1116 CG PRO A 69 8.964 7.064 10.832 1.00 0.00 C ATOM 1117 CD PRO A 69 8.980 7.594 9.407 1.00 0.00 C ATOM 0 HA PRO A 69 8.428 4.562 9.393 1.00 0.00 H new ATOM 0 HB2 PRO A 69 6.881 6.602 11.108 1.00 0.00 H new ATOM 0 HB3 PRO A 69 7.971 5.349 11.670 1.00 0.00 H new ATOM 0 HG2 PRO A 69 8.828 7.873 11.550 1.00 0.00 H new ATOM 0 HG3 PRO A 69 9.906 6.574 11.079 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.481 8.561 9.339 1.00 0.00 H new ATOM 0 HD3 PRO A 69 10.000 7.736 9.049 1.00 0.00 H new ATOM 1125 N ALA A 70 6.373 3.692 8.530 1.00 0.00 N ATOM 1126 CA ALA A 70 5.150 2.968 8.126 1.00 0.00 C ATOM 1127 C ALA A 70 4.311 3.750 7.087 1.00 0.00 C ATOM 1128 O ALA A 70 3.148 3.456 6.878 1.00 0.00 O ATOM 1129 CB ALA A 70 4.311 2.582 9.364 1.00 0.00 C ATOM 0 H ALA A 70 7.228 3.182 8.308 1.00 0.00 H new ATOM 0 HA ALA A 70 5.467 2.051 7.629 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.415 2.050 9.045 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.901 1.940 10.018 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.024 3.484 9.905 1.00 0.00 H new ATOM 1135 N THR A 71 4.943 4.704 6.400 1.00 0.00 N ATOM 1136 CA THR A 71 4.270 5.610 5.458 1.00 0.00 C ATOM 1137 C THR A 71 4.789 5.339 4.042 1.00 0.00 C ATOM 1138 O THR A 71 5.985 5.498 3.767 1.00 0.00 O ATOM 1139 CB THR A 71 4.512 7.090 5.864 1.00 0.00 C ATOM 1140 OG1 THR A 71 4.125 7.270 7.237 1.00 0.00 O ATOM 1141 CG2 THR A 71 3.730 8.078 4.986 1.00 0.00 C ATOM 0 H THR A 71 5.946 4.873 6.480 1.00 0.00 H new ATOM 0 HA THR A 71 3.195 5.430 5.483 1.00 0.00 H new ATOM 0 HB THR A 71 5.573 7.299 5.726 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.712 6.739 7.815 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.936 9.097 5.313 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.036 7.962 3.946 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.662 7.877 5.074 1.00 0.00 H new ATOM 1149 N TRP A 72 3.875 4.928 3.154 1.00 0.00 N ATOM 1150 CA TRP A 72 4.202 4.411 1.824 1.00 0.00 C ATOM 1151 C TRP A 72 3.609 5.339 0.760 1.00 0.00 C ATOM 1152 O TRP A 72 2.489 5.814 0.914 1.00 0.00 O ATOM 1153 CB TRP A 72 3.628 2.977 1.667 1.00 0.00 C ATOM 1154 CG TRP A 72 4.069 2.016 2.754 1.00 0.00 C ATOM 1155 CD1 TRP A 72 3.518 1.871 4.002 1.00 0.00 C ATOM 1156 CD2 TRP A 72 5.142 1.070 2.685 1.00 0.00 C ATOM 1157 NE1 TRP A 72 4.196 0.911 4.708 1.00 0.00 N ATOM 1158 CE2 TRP A 72 5.188 0.397 3.918 1.00 0.00 C ATOM 1159 CE3 TRP A 72 6.060 0.729 1.696 1.00 0.00 C ATOM 1160 CZ2 TRP A 72 6.126 -0.596 4.189 1.00 0.00 C ATOM 1161 CZ3 TRP A 72 6.987 -0.255 1.961 1.00 0.00 C ATOM 1162 CH2 TRP A 72 7.016 -0.910 3.196 1.00 0.00 C ATOM 0 H TRP A 72 2.873 4.947 3.345 1.00 0.00 H new ATOM 0 HA TRP A 72 5.284 4.372 1.700 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.539 3.030 1.663 1.00 0.00 H new ATOM 0 HB3 TRP A 72 3.931 2.579 0.699 1.00 0.00 H new ATOM 0 HD1 TRP A 72 2.673 2.431 4.374 1.00 0.00 H new ATOM 0 HE1 TRP A 72 3.994 0.626 5.666 1.00 0.00 H new ATOM 0 HE3 TRP A 72 6.046 1.227 0.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 6.151 -1.099 5.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 7.705 -0.526 1.201 1.00 0.00 H new ATOM 0 HH2 TRP A 72 7.754 -1.679 3.370 1.00 0.00 H new ATOM 1173 N CYS A 73 4.364 5.597 -0.309 1.00 0.00 N ATOM 1174 CA CYS A 73 3.892 6.401 -1.451 1.00 0.00 C ATOM 1175 C CYS A 73 3.872 5.543 -2.720 1.00 0.00 C ATOM 1176 O CYS A 73 4.465 4.453 -2.749 1.00 0.00 O ATOM 1177 CB CYS A 73 4.799 7.633 -1.651 1.00 0.00 C ATOM 1178 SG CYS A 73 4.235 8.777 -2.938 1.00 0.00 S ATOM 0 H CYS A 73 5.320 5.257 -0.413 1.00 0.00 H new ATOM 0 HA CYS A 73 2.880 6.748 -1.244 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.870 8.174 -0.707 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.804 7.292 -1.900 1.00 0.00 H new ATOM 0 HG CYS A 73 5.063 9.776 -3.024 1.00 0.00 H new ATOM 1184 N LEU A 74 3.181 6.038 -3.760 1.00 0.00 N ATOM 1185 CA LEU A 74 3.121 5.374 -5.068 1.00 0.00 C ATOM 1186 C LEU A 74 4.517 5.374 -5.728 1.00 0.00 C ATOM 1187 O LEU A 74 5.037 6.429 -6.073 1.00 0.00 O ATOM 1188 CB LEU A 74 2.099 6.083 -6.002 1.00 0.00 C ATOM 1189 CG LEU A 74 1.894 5.414 -7.394 1.00 0.00 C ATOM 1190 CD1 LEU A 74 1.213 4.033 -7.265 1.00 0.00 C ATOM 1191 CD2 LEU A 74 1.127 6.342 -8.362 1.00 0.00 C ATOM 0 H LEU A 74 2.650 6.908 -3.716 1.00 0.00 H new ATOM 0 HA LEU A 74 2.795 4.346 -4.913 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.136 6.127 -5.493 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.425 7.112 -6.156 1.00 0.00 H new ATOM 0 HG LEU A 74 2.882 5.247 -7.824 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.086 3.596 -8.255 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.834 3.377 -6.656 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.238 4.151 -6.793 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.002 5.843 -9.323 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.147 6.574 -7.944 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.689 7.265 -8.503 1.00 0.00 H new ATOM 1203 N GLY A 75 5.121 4.189 -5.849 1.00 0.00 N ATOM 1204 CA GLY A 75 6.400 4.032 -6.545 1.00 0.00 C ATOM 1205 C GLY A 75 6.209 3.975 -8.055 1.00 0.00 C ATOM 1206 O GLY A 75 6.988 4.562 -8.817 1.00 0.00 O ATOM 0 H GLY A 75 4.742 3.320 -5.472 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.058 4.863 -6.291 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.892 3.121 -6.204 1.00 0.00 H new