USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 631 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 Set 1.1: A 40 TYR OH : rot 111:sc= 0.275 USER MOD Set 1.2: A 78 LYS NZ :NH3+ 175:sc= 0.997 (180deg=-0.0428) USER MOD Set 2.1: A 45 LYS NZ :NH3+ -144:sc= 1.75 (180deg=1.01) USER MOD Set 2.2: A 63 SER OG : rot 37:sc= -2.72! USER MOD Single : A 15 TYR OH : rot 180:sc= 0.742 USER MOD Single : A 17 CYS SG : rot 32:sc= -0.112! USER MOD Single : A 21 TYR OH : rot 45:sc= -1.52! USER MOD Single : A 25 MET CE :methyl -145:sc= -1.34 (180deg=-1.85!) USER MOD Single : A 26 THR OG1 : rot 180:sc=0.000549 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -140:sc= -1.06 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0214 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -82:sc= 1.31 USER MOD Single : A 41 GLN : amide:sc= 0.666 K(o=0.67,f=-0.094) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 51 THR OG1 : rot 121:sc= -0.703 USER MOD Single : A 52 SER OG : rot 180:sc=-0.00442 USER MOD Single : A 53 LYS NZ :NH3+ 145:sc= -2.44! (180deg=-4.86!) USER MOD Single : A 54 ASN : amide:sc= 0.325 K(o=0.33,f=-10!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.608! C(o=-0.61!,f=-7.6!) USER MOD Single : A 64 MET CE :methyl -126:sc= -1.65 (180deg=-3.1!) USER MOD Single : A 67 SER OG : rot -170:sc= 1.05 USER MOD Single : A 68 ASN : amide:sc= -2.46 X(o=-2.5,f=-2.2) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.529 X(o=-0.53,f=-0.39) USER MOD Single : A 77 GLN : amide:sc= -0.635 K(o=-0.64,f=-4!) USER MOD Single : A 80 SER OG : rot -39:sc= 0.907 USER MOD Single : A 81 GLN : amide:sc= -1.02 K(o=-1,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -126:sc= 0.38 (180deg=-0.302) USER MOD Single : A 87 GLN : amide:sc= -1.34 K(o=-1.3,f=-6.4!) USER MOD Single : A 88 THR OG1 : rot 97:sc= 0.757 USER MOD ----------------------------------------------------------------- ATOM 220 N TYR A 15 -6.794 -27.696 0.995 1.00 0.00 N ATOM 221 CA TYR A 15 -7.952 -27.764 1.879 1.00 0.00 C ATOM 222 C TYR A 15 -9.169 -28.223 1.069 1.00 0.00 C ATOM 223 O TYR A 15 -9.436 -27.671 -0.003 1.00 0.00 O ATOM 224 CB TYR A 15 -8.227 -26.394 2.524 1.00 0.00 C ATOM 225 CG TYR A 15 -7.208 -25.978 3.577 1.00 0.00 C ATOM 226 CD1 TYR A 15 -7.349 -26.382 4.901 1.00 0.00 C ATOM 227 CD2 TYR A 15 -6.119 -25.173 3.255 1.00 0.00 C ATOM 228 CE1 TYR A 15 -6.442 -25.996 5.870 1.00 0.00 C ATOM 229 CE2 TYR A 15 -5.204 -24.785 4.220 1.00 0.00 C ATOM 230 CZ TYR A 15 -5.371 -25.199 5.527 1.00 0.00 C ATOM 231 OH TYR A 15 -4.468 -24.811 6.499 1.00 0.00 O ATOM 0 HA TYR A 15 -7.752 -28.477 2.679 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -8.252 -25.636 1.741 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -9.216 -26.413 2.981 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -8.184 -27.010 5.177 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.985 -24.845 2.235 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.572 -26.318 6.893 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -4.364 -24.162 3.952 1.00 0.00 H new ATOM 0 HH TYR A 15 -3.771 -24.253 6.094 1.00 0.00 H new ATOM 241 N PRO A 16 -9.917 -29.246 1.539 1.00 0.00 N ATOM 242 CA PRO A 16 -9.631 -29.974 2.786 1.00 0.00 C ATOM 243 C PRO A 16 -8.465 -30.962 2.648 1.00 0.00 C ATOM 244 O PRO A 16 -8.153 -31.422 1.546 1.00 0.00 O ATOM 245 CB PRO A 16 -10.946 -30.736 3.078 1.00 0.00 C ATOM 246 CG PRO A 16 -11.937 -30.237 2.072 1.00 0.00 C ATOM 247 CD PRO A 16 -11.130 -29.764 0.897 1.00 0.00 C ATOM 0 HA PRO A 16 -9.329 -29.292 3.581 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.803 -31.813 2.986 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.291 -30.546 4.094 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.627 -31.028 1.779 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.538 -29.427 2.485 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.908 -30.575 0.203 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.651 -28.993 0.330 1.00 0.00 H new ATOM 255 N CYS A 17 -7.833 -31.270 3.779 1.00 0.00 N ATOM 256 CA CYS A 17 -6.739 -32.240 3.842 1.00 0.00 C ATOM 257 C CYS A 17 -6.406 -32.532 5.304 1.00 0.00 C ATOM 258 O CYS A 17 -6.988 -31.930 6.205 1.00 0.00 O ATOM 259 CB CYS A 17 -5.497 -31.719 3.104 1.00 0.00 C ATOM 260 SG CYS A 17 -4.138 -32.911 3.006 1.00 0.00 S ATOM 0 H CYS A 17 -8.065 -30.853 4.681 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.056 -33.160 3.350 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.784 -31.428 2.093 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.141 -30.819 3.606 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.621 -34.116 2.947 1.00 0.00 H new ATOM 266 N LEU A 18 -5.471 -33.446 5.536 1.00 0.00 N ATOM 267 CA LEU A 18 -5.103 -33.849 6.890 1.00 0.00 C ATOM 268 C LEU A 18 -4.037 -32.915 7.462 1.00 0.00 C ATOM 269 O LEU A 18 -3.060 -32.581 6.787 1.00 0.00 O ATOM 270 CB LEU A 18 -4.595 -35.296 6.884 1.00 0.00 C ATOM 271 CG LEU A 18 -5.605 -36.337 6.371 1.00 0.00 C ATOM 272 CD1 LEU A 18 -4.941 -37.697 6.186 1.00 0.00 C ATOM 273 CD2 LEU A 18 -6.797 -36.446 7.319 1.00 0.00 C ATOM 0 H LEU A 18 -4.951 -33.925 4.801 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.987 -33.785 7.524 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.698 -35.348 6.267 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.301 -35.566 7.898 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.968 -36.003 5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.677 -38.415 5.823 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.130 -37.611 5.463 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.541 -38.039 7.140 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.499 -37.188 6.937 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.450 -36.750 8.307 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.294 -35.479 7.391 1.00 0.00 H new ATOM 285 N TRP A 19 -4.240 -32.494 8.706 1.00 0.00 N ATOM 286 CA TRP A 19 -3.297 -31.620 9.402 1.00 0.00 C ATOM 287 C TRP A 19 -2.895 -32.253 10.735 1.00 0.00 C ATOM 288 O TRP A 19 -3.760 -32.669 11.507 1.00 0.00 O ATOM 289 CB TRP A 19 -3.933 -30.239 9.635 1.00 0.00 C ATOM 290 CG TRP A 19 -2.981 -29.218 10.190 1.00 0.00 C ATOM 291 CD1 TRP A 19 -2.607 -29.067 11.495 1.00 0.00 C ATOM 292 CD2 TRP A 19 -2.292 -28.199 9.454 1.00 0.00 C ATOM 293 NE1 TRP A 19 -1.714 -28.032 11.611 1.00 0.00 N ATOM 294 CE2 TRP A 19 -1.508 -27.479 10.375 1.00 0.00 C ATOM 295 CE3 TRP A 19 -2.258 -27.829 8.105 1.00 0.00 C ATOM 296 CZ2 TRP A 19 -0.700 -26.412 9.992 1.00 0.00 C ATOM 297 CZ3 TRP A 19 -1.456 -26.768 7.726 1.00 0.00 C ATOM 298 CH2 TRP A 19 -0.685 -26.071 8.666 1.00 0.00 C ATOM 0 H TRP A 19 -5.058 -32.747 9.260 1.00 0.00 H new ATOM 0 HA TRP A 19 -2.405 -31.492 8.789 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -4.336 -29.871 8.691 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -4.774 -30.348 10.320 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -2.962 -29.673 12.315 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -1.274 -27.724 12.478 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -2.847 -28.362 7.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -0.106 -25.872 10.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -1.423 -26.472 6.688 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -0.067 -25.249 8.338 1.00 0.00 H new ATOM 309 N ASP A 20 -1.588 -32.330 10.997 1.00 0.00 N ATOM 310 CA ASP A 20 -1.079 -32.951 12.226 1.00 0.00 C ATOM 311 C ASP A 20 -0.958 -31.932 13.358 1.00 0.00 C ATOM 312 O ASP A 20 -0.207 -30.961 13.258 1.00 0.00 O ATOM 313 CB ASP A 20 0.292 -33.607 11.988 1.00 0.00 C ATOM 314 CG ASP A 20 0.226 -34.845 11.106 1.00 0.00 C ATOM 315 OD1 ASP A 20 0.067 -35.965 11.644 1.00 0.00 O ATOM 316 OD2 ASP A 20 0.362 -34.708 9.871 1.00 0.00 O ATOM 0 H ASP A 20 -0.862 -31.971 10.376 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.799 -33.717 12.516 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.960 -32.878 11.529 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.728 -33.878 12.949 1.00 0.00 H new ATOM 321 N TYR A 21 -1.693 -32.179 14.432 1.00 0.00 N ATOM 322 CA TYR A 21 -1.647 -31.363 15.641 1.00 0.00 C ATOM 323 C TYR A 21 -0.752 -32.035 16.681 1.00 0.00 C ATOM 324 O TYR A 21 -0.727 -33.262 16.777 1.00 0.00 O ATOM 325 CB TYR A 21 -3.059 -31.195 16.221 1.00 0.00 C ATOM 326 CG TYR A 21 -4.035 -30.492 15.296 1.00 0.00 C ATOM 327 CD1 TYR A 21 -4.789 -31.208 14.371 1.00 0.00 C ATOM 328 CD2 TYR A 21 -4.208 -29.114 15.353 1.00 0.00 C ATOM 329 CE1 TYR A 21 -5.683 -30.571 13.534 1.00 0.00 C ATOM 330 CE2 TYR A 21 -5.103 -28.470 14.520 1.00 0.00 C ATOM 331 CZ TYR A 21 -5.836 -29.205 13.612 1.00 0.00 C ATOM 332 OH TYR A 21 -6.732 -28.572 12.784 1.00 0.00 O ATOM 0 H TYR A 21 -2.346 -32.960 14.491 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.244 -30.382 15.388 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.457 -32.179 16.469 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.992 -30.634 17.153 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.673 -32.280 14.307 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.633 -28.536 16.061 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.260 -31.142 12.821 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.228 -27.399 14.580 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.573 -29.075 12.767 1.00 0.00 H new ATOM 342 N ARG A 22 -0.027 -31.241 17.459 1.00 0.00 N ATOM 343 CA ARG A 22 0.835 -31.785 18.505 1.00 0.00 C ATOM 344 C ARG A 22 0.247 -31.467 19.877 1.00 0.00 C ATOM 345 O ARG A 22 0.173 -30.304 20.279 1.00 0.00 O ATOM 346 CB ARG A 22 2.254 -31.219 18.377 1.00 0.00 C ATOM 347 CG ARG A 22 3.296 -31.951 19.220 1.00 0.00 C ATOM 348 CD ARG A 22 3.369 -33.435 18.863 1.00 0.00 C ATOM 349 NE ARG A 22 3.419 -33.650 17.412 1.00 0.00 N ATOM 350 CZ ARG A 22 4.426 -34.235 16.767 1.00 0.00 C ATOM 351 NH1 ARG A 22 5.481 -34.691 17.430 1.00 0.00 N ATOM 352 NH2 ARG A 22 4.369 -34.374 15.451 1.00 0.00 N ATOM 0 H ARG A 22 -0.017 -30.224 17.388 1.00 0.00 H new ATOM 0 HA ARG A 22 0.892 -32.868 18.392 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.556 -31.258 17.330 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.242 -30.168 18.666 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.273 -31.492 19.070 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.051 -31.842 20.277 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.252 -33.876 19.325 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.502 -33.950 19.276 1.00 0.00 H new ATOM 0 HE ARG A 22 2.625 -33.328 16.858 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.526 -34.595 18.444 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.247 -35.138 16.925 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.556 -34.034 14.937 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.138 -34.821 14.952 1.00 0.00 H new ATOM 366 N VAL A 23 -0.176 -32.508 20.586 1.00 0.00 N ATOM 367 CA VAL A 23 -0.862 -32.356 21.865 1.00 0.00 C ATOM 368 C VAL A 23 0.002 -32.886 23.009 1.00 0.00 C ATOM 369 O VAL A 23 0.189 -34.095 23.144 1.00 0.00 O ATOM 370 CB VAL A 23 -2.217 -33.115 21.860 1.00 0.00 C ATOM 371 CG1 VAL A 23 -3.026 -32.801 23.118 1.00 0.00 C ATOM 372 CG2 VAL A 23 -3.017 -32.793 20.596 1.00 0.00 C ATOM 0 H VAL A 23 -0.054 -33.477 20.292 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.046 -31.292 22.014 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.005 -34.184 21.860 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.970 -33.345 23.089 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.460 -33.103 23.999 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.226 -31.730 23.164 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.962 -33.336 20.615 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.215 -31.722 20.554 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.445 -33.091 19.717 1.00 0.00 H new ATOM 382 N ILE A 24 0.540 -31.982 23.822 1.00 0.00 N ATOM 383 CA ILE A 24 1.347 -32.373 24.977 1.00 0.00 C ATOM 384 C ILE A 24 0.494 -32.355 26.247 1.00 0.00 C ATOM 385 O ILE A 24 0.151 -31.287 26.768 1.00 0.00 O ATOM 386 CB ILE A 24 2.580 -31.449 25.156 1.00 0.00 C ATOM 387 CG1 ILE A 24 3.454 -31.478 23.889 1.00 0.00 C ATOM 388 CG2 ILE A 24 3.394 -31.868 26.383 1.00 0.00 C ATOM 389 CD1 ILE A 24 4.694 -30.610 23.974 1.00 0.00 C ATOM 0 H ILE A 24 0.433 -30.975 23.704 1.00 0.00 H new ATOM 0 HA ILE A 24 1.711 -33.385 24.797 1.00 0.00 H new ATOM 0 HB ILE A 24 2.230 -30.429 25.313 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.756 -32.507 23.692 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.854 -31.154 23.039 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.255 -31.208 26.491 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.770 -31.800 27.274 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.738 -32.895 26.258 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.255 -30.685 23.043 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.402 -29.573 24.139 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.318 -30.947 24.802 1.00 0.00 H new ATOM 401 N MET A 25 0.141 -33.544 26.725 1.00 0.00 N ATOM 402 CA MET A 25 -0.702 -33.693 27.910 1.00 0.00 C ATOM 403 C MET A 25 0.133 -34.182 29.091 1.00 0.00 C ATOM 404 O MET A 25 1.293 -34.553 28.926 1.00 0.00 O ATOM 405 CB MET A 25 -1.845 -34.686 27.625 1.00 0.00 C ATOM 406 CG MET A 25 -2.691 -34.317 26.409 1.00 0.00 C ATOM 407 SD MET A 25 -3.829 -35.629 25.908 1.00 0.00 S ATOM 408 CE MET A 25 -4.859 -35.792 27.362 1.00 0.00 C ATOM 0 H MET A 25 0.429 -34.428 26.306 1.00 0.00 H new ATOM 0 HA MET A 25 -1.131 -32.723 28.160 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.422 -35.679 27.474 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.491 -34.744 28.501 1.00 0.00 H new ATOM 0 HG2 MET A 25 -3.262 -33.415 26.632 1.00 0.00 H new ATOM 0 HG3 MET A 25 -2.031 -34.079 25.574 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.139 -36.837 27.494 1.00 0.00 H new ATOM 0 HE2 MET A 25 -4.308 -35.450 28.238 1.00 0.00 H new ATOM 0 HE3 MET A 25 -5.758 -35.188 27.240 1.00 0.00 H new ATOM 418 N THR A 26 -0.457 -34.175 30.280 1.00 0.00 N ATOM 419 CA THR A 26 0.210 -34.677 31.479 1.00 0.00 C ATOM 420 C THR A 26 -0.284 -36.082 31.821 1.00 0.00 C ATOM 421 O THR A 26 -0.005 -36.611 32.898 1.00 0.00 O ATOM 422 CB THR A 26 -0.033 -33.733 32.679 1.00 0.00 C ATOM 423 OG1 THR A 26 -1.434 -33.433 32.784 1.00 0.00 O ATOM 424 CG2 THR A 26 0.767 -32.440 32.534 1.00 0.00 C ATOM 0 H THR A 26 -1.401 -33.825 30.442 1.00 0.00 H new ATOM 0 HA THR A 26 1.280 -34.717 31.274 1.00 0.00 H new ATOM 0 HB THR A 26 0.301 -34.238 33.585 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.584 -32.836 33.546 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.576 -31.796 33.392 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.831 -32.674 32.485 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.466 -31.926 31.621 1.00 0.00 H new ATOM 432 N THR A 27 -1.000 -36.688 30.881 1.00 0.00 N ATOM 433 CA THR A 27 -1.609 -37.993 31.086 1.00 0.00 C ATOM 434 C THR A 27 -1.715 -38.728 29.754 1.00 0.00 C ATOM 435 O THR A 27 -1.592 -38.111 28.693 1.00 0.00 O ATOM 436 CB THR A 27 -3.024 -37.845 31.699 1.00 0.00 C ATOM 437 OG1 THR A 27 -3.545 -39.131 32.074 1.00 0.00 O ATOM 438 CG2 THR A 27 -3.979 -37.180 30.711 1.00 0.00 C ATOM 0 H THR A 27 -1.173 -36.288 29.959 1.00 0.00 H new ATOM 0 HA THR A 27 -0.982 -38.561 31.774 1.00 0.00 H new ATOM 0 HB THR A 27 -2.939 -37.216 32.585 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.439 -39.022 32.461 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.966 -37.087 31.165 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.604 -36.190 30.453 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.050 -37.787 29.809 1.00 0.00 H new ATOM 446 N LYS A 28 -1.938 -40.041 29.806 1.00 0.00 N ATOM 447 CA LYS A 28 -2.201 -40.818 28.596 1.00 0.00 C ATOM 448 C LYS A 28 -3.699 -41.046 28.434 1.00 0.00 C ATOM 449 O LYS A 28 -4.139 -41.744 27.518 1.00 0.00 O ATOM 450 CB LYS A 28 -1.462 -42.165 28.609 1.00 0.00 C ATOM 451 CG LYS A 28 0.058 -42.041 28.584 1.00 0.00 C ATOM 452 CD LYS A 28 0.737 -43.365 28.232 1.00 0.00 C ATOM 453 CE LYS A 28 0.373 -44.479 29.206 1.00 0.00 C ATOM 454 NZ LYS A 28 1.019 -45.767 28.841 1.00 0.00 N ATOM 0 H LYS A 28 -1.942 -40.586 30.668 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.827 -40.244 27.749 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.756 -42.720 29.500 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.782 -42.751 27.748 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.347 -41.281 27.858 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.410 -41.701 29.558 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.451 -43.660 27.223 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.818 -43.227 28.229 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.676 -44.194 30.214 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.709 -44.607 29.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.746 -46.499 29.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.711 -46.053 27.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.053 -45.652 28.850 1.00 0.00 H new ATOM 468 N ASP A 29 -4.481 -40.449 29.329 1.00 0.00 N ATOM 469 CA ASP A 29 -5.932 -40.551 29.266 1.00 0.00 C ATOM 470 C ASP A 29 -6.461 -39.586 28.217 1.00 0.00 C ATOM 471 O ASP A 29 -6.888 -38.471 28.530 1.00 0.00 O ATOM 472 CB ASP A 29 -6.573 -40.267 30.634 1.00 0.00 C ATOM 473 CG ASP A 29 -8.100 -40.252 30.583 1.00 0.00 C ATOM 474 OD1 ASP A 29 -8.702 -41.293 30.236 1.00 0.00 O ATOM 475 OD2 ASP A 29 -8.704 -39.199 30.892 1.00 0.00 O ATOM 0 H ASP A 29 -4.132 -39.889 30.107 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.198 -41.571 28.987 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.246 -41.024 31.347 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.217 -39.305 31.004 1.00 0.00 H new ATOM 480 N THR A 30 -6.369 -39.996 26.962 1.00 0.00 N ATOM 481 CA THR A 30 -6.879 -39.199 25.868 1.00 0.00 C ATOM 482 C THR A 30 -8.263 -39.704 25.463 1.00 0.00 C ATOM 483 O THR A 30 -8.406 -40.721 24.783 1.00 0.00 O ATOM 484 CB THR A 30 -5.911 -39.195 24.654 1.00 0.00 C ATOM 485 OG1 THR A 30 -6.504 -38.500 23.549 1.00 0.00 O ATOM 486 CG2 THR A 30 -5.523 -40.608 24.225 1.00 0.00 C ATOM 0 H THR A 30 -5.944 -40.879 26.680 1.00 0.00 H new ATOM 0 HA THR A 30 -6.961 -38.167 26.209 1.00 0.00 H new ATOM 0 HB THR A 30 -5.002 -38.681 24.967 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.298 -38.974 22.716 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.845 -40.556 23.373 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.028 -41.116 25.052 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.419 -41.161 23.943 1.00 0.00 H new ATOM 494 N SER A 31 -9.288 -39.001 25.924 1.00 0.00 N ATOM 495 CA SER A 31 -10.664 -39.354 25.612 1.00 0.00 C ATOM 496 C SER A 31 -11.382 -38.142 25.026 1.00 0.00 C ATOM 497 O SER A 31 -11.769 -38.154 23.855 1.00 0.00 O ATOM 498 CB SER A 31 -11.379 -39.866 26.870 1.00 0.00 C ATOM 499 OG SER A 31 -12.673 -40.358 26.563 1.00 0.00 O ATOM 0 H SER A 31 -9.190 -38.178 26.519 1.00 0.00 H new ATOM 0 HA SER A 31 -10.675 -40.155 24.872 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.787 -40.657 27.331 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.458 -39.060 27.600 1.00 0.00 H new ATOM 0 HG SER A 31 -13.104 -40.679 27.383 1.00 0.00 H new ATOM 505 N THR A 32 -11.523 -37.087 25.833 1.00 0.00 N ATOM 506 CA THR A 32 -12.135 -35.836 25.387 1.00 0.00 C ATOM 507 C THR A 32 -11.493 -35.362 24.082 1.00 0.00 C ATOM 508 O THR A 32 -12.164 -34.827 23.197 1.00 0.00 O ATOM 509 CB THR A 32 -11.972 -34.740 26.465 1.00 0.00 C ATOM 510 OG1 THR A 32 -12.256 -35.289 27.758 1.00 0.00 O ATOM 511 CG2 THR A 32 -12.898 -33.555 26.200 1.00 0.00 C ATOM 0 H THR A 32 -11.218 -37.077 26.806 1.00 0.00 H new ATOM 0 HA THR A 32 -13.196 -36.020 25.219 1.00 0.00 H new ATOM 0 HB THR A 32 -10.943 -34.383 26.430 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.150 -34.593 28.439 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.758 -32.803 26.976 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.664 -33.121 25.228 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.934 -33.894 26.206 1.00 0.00 H new ATOM 519 N LEU A 33 -10.183 -35.591 23.974 1.00 0.00 N ATOM 520 CA LEU A 33 -9.416 -35.222 22.788 1.00 0.00 C ATOM 521 C LEU A 33 -9.985 -35.897 21.541 1.00 0.00 C ATOM 522 O LEU A 33 -10.120 -35.272 20.494 1.00 0.00 O ATOM 523 CB LEU A 33 -7.941 -35.607 22.979 1.00 0.00 C ATOM 524 CG LEU A 33 -6.995 -35.238 21.819 1.00 0.00 C ATOM 525 CD1 LEU A 33 -7.013 -33.733 21.557 1.00 0.00 C ATOM 526 CD2 LEU A 33 -5.572 -35.720 22.111 1.00 0.00 C ATOM 0 H LEU A 33 -9.628 -36.036 24.705 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.487 -34.143 22.650 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.575 -35.128 23.887 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.884 -36.683 23.141 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.350 -35.740 20.919 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.337 -33.499 20.734 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.024 -33.421 21.296 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.690 -33.204 22.453 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.919 -35.450 21.281 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.209 -35.250 23.025 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.573 -36.803 22.235 1.00 0.00 H new ATOM 538 N LYS A 34 -10.323 -37.178 21.663 1.00 0.00 N ATOM 539 CA LYS A 34 -10.879 -37.931 20.542 1.00 0.00 C ATOM 540 C LYS A 34 -12.337 -37.545 20.300 1.00 0.00 C ATOM 541 O LYS A 34 -12.779 -37.443 19.156 1.00 0.00 O ATOM 542 CB LYS A 34 -10.772 -39.439 20.799 1.00 0.00 C ATOM 543 CG LYS A 34 -9.340 -39.932 20.994 1.00 0.00 C ATOM 544 CD LYS A 34 -9.286 -41.445 21.203 1.00 0.00 C ATOM 545 CE LYS A 34 -10.106 -41.883 22.413 1.00 0.00 C ATOM 546 NZ LYS A 34 -10.091 -43.357 22.595 1.00 0.00 N ATOM 0 H LYS A 34 -10.222 -37.715 22.524 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.301 -37.684 19.651 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.356 -39.689 21.685 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.219 -39.973 19.961 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.741 -39.663 20.124 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.896 -39.430 21.854 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.659 -41.948 20.311 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.250 -41.756 21.335 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.713 -41.404 23.309 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.135 -41.543 22.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.660 -43.610 23.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.490 -43.815 21.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.112 -43.680 22.734 1.00 0.00 H new ATOM 560 N GLU A 35 -13.073 -37.314 21.387 1.00 0.00 N ATOM 561 CA GLU A 35 -14.501 -37.009 21.301 1.00 0.00 C ATOM 562 C GLU A 35 -14.740 -35.724 20.513 1.00 0.00 C ATOM 563 O GLU A 35 -15.622 -35.669 19.651 1.00 0.00 O ATOM 564 CB GLU A 35 -15.116 -36.892 22.702 1.00 0.00 C ATOM 565 CG GLU A 35 -14.905 -38.129 23.570 1.00 0.00 C ATOM 566 CD GLU A 35 -15.651 -38.074 24.895 1.00 0.00 C ATOM 567 OE1 GLU A 35 -15.793 -36.974 25.469 1.00 0.00 O ATOM 568 OE2 GLU A 35 -16.098 -39.139 25.374 1.00 0.00 O ATOM 0 H GLU A 35 -12.704 -37.332 22.338 1.00 0.00 H new ATOM 0 HA GLU A 35 -14.986 -37.831 20.774 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.686 -36.027 23.207 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -16.185 -36.705 22.605 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.228 -39.011 23.017 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.839 -38.248 23.766 1.00 0.00 H new ATOM 575 N LEU A 36 -13.942 -34.694 20.797 1.00 0.00 N ATOM 576 CA LEU A 36 -14.074 -33.415 20.102 1.00 0.00 C ATOM 577 C LEU A 36 -13.810 -33.601 18.608 1.00 0.00 C ATOM 578 O LEU A 36 -14.370 -32.891 17.777 1.00 0.00 O ATOM 579 CB LEU A 36 -13.139 -32.349 20.714 1.00 0.00 C ATOM 580 CG LEU A 36 -11.622 -32.557 20.508 1.00 0.00 C ATOM 581 CD1 LEU A 36 -11.143 -31.939 19.193 1.00 0.00 C ATOM 582 CD2 LEU A 36 -10.833 -31.997 21.690 1.00 0.00 C ATOM 0 H LEU A 36 -13.202 -34.720 21.499 1.00 0.00 H new ATOM 0 HA LEU A 36 -15.095 -33.055 20.226 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -13.409 -31.379 20.297 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.334 -32.300 21.785 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.441 -33.630 20.452 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -10.071 -32.105 19.082 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.670 -32.403 18.360 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.346 -30.868 19.199 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.767 -32.154 21.523 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.031 -30.930 21.787 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.137 -32.507 22.604 1.00 0.00 H new ATOM 594 N LEU A 37 -12.956 -34.565 18.275 1.00 0.00 N ATOM 595 CA LEU A 37 -12.669 -34.896 16.881 1.00 0.00 C ATOM 596 C LEU A 37 -13.893 -35.551 16.241 1.00 0.00 C ATOM 597 O LEU A 37 -14.276 -35.220 15.115 1.00 0.00 O ATOM 598 CB LEU A 37 -11.462 -35.841 16.797 1.00 0.00 C ATOM 599 CG LEU A 37 -10.171 -35.311 17.444 1.00 0.00 C ATOM 600 CD1 LEU A 37 -9.111 -36.406 17.513 1.00 0.00 C ATOM 601 CD2 LEU A 37 -9.641 -34.097 16.684 1.00 0.00 C ATOM 0 H LEU A 37 -12.449 -35.133 18.954 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.432 -33.979 16.342 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.726 -36.786 17.272 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.262 -36.057 15.748 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.407 -34.999 18.461 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.207 -36.009 17.974 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.486 -37.238 18.108 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.882 -36.754 16.506 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.728 -33.740 17.160 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.427 -34.378 15.653 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.390 -33.305 16.696 1.00 0.00 H new ATOM 613 N GLU A 38 -14.515 -36.460 16.991 1.00 0.00 N ATOM 614 CA GLU A 38 -15.675 -37.213 16.515 1.00 0.00 C ATOM 615 C GLU A 38 -16.837 -36.288 16.150 1.00 0.00 C ATOM 616 O GLU A 38 -17.616 -36.593 15.247 1.00 0.00 O ATOM 617 CB GLU A 38 -16.135 -38.227 17.573 1.00 0.00 C ATOM 618 CG GLU A 38 -15.100 -39.300 17.903 1.00 0.00 C ATOM 619 CD GLU A 38 -15.638 -40.357 18.856 1.00 0.00 C ATOM 620 OE1 GLU A 38 -16.311 -41.300 18.386 1.00 0.00 O ATOM 621 OE2 GLU A 38 -15.404 -40.250 20.081 1.00 0.00 O ATOM 0 H GLU A 38 -14.231 -36.695 17.942 1.00 0.00 H new ATOM 0 HA GLU A 38 -15.366 -37.746 15.616 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.390 -37.691 18.487 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -17.046 -38.712 17.223 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -14.773 -39.780 16.981 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -14.222 -38.829 18.346 1.00 0.00 H new ATOM 628 N THR A 39 -16.949 -35.156 16.846 1.00 0.00 N ATOM 629 CA THR A 39 -18.050 -34.219 16.609 1.00 0.00 C ATOM 630 C THR A 39 -18.053 -33.716 15.160 1.00 0.00 C ATOM 631 O THR A 39 -19.106 -33.391 14.612 1.00 0.00 O ATOM 632 CB THR A 39 -18.002 -33.007 17.574 1.00 0.00 C ATOM 633 OG1 THR A 39 -16.833 -32.215 17.327 1.00 0.00 O ATOM 634 CG2 THR A 39 -18.004 -33.465 19.030 1.00 0.00 C ATOM 0 H THR A 39 -16.296 -34.866 17.574 1.00 0.00 H new ATOM 0 HA THR A 39 -18.969 -34.773 16.798 1.00 0.00 H new ATOM 0 HB THR A 39 -18.892 -32.405 17.393 1.00 0.00 H new ATOM 0 HG1 THR A 39 -16.065 -32.613 17.788 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.970 -32.595 19.685 1.00 0.00 H new ATOM 0 HG22 THR A 39 -18.911 -34.035 19.231 1.00 0.00 H new ATOM 0 HG23 THR A 39 -17.132 -34.093 19.215 1.00 0.00 H new ATOM 642 N TYR A 40 -16.872 -33.680 14.533 1.00 0.00 N ATOM 643 CA TYR A 40 -16.748 -33.212 13.148 1.00 0.00 C ATOM 644 C TYR A 40 -17.144 -34.316 12.163 1.00 0.00 C ATOM 645 O TYR A 40 -17.151 -34.098 10.950 1.00 0.00 O ATOM 646 CB TYR A 40 -15.313 -32.743 12.853 1.00 0.00 C ATOM 647 CG TYR A 40 -14.857 -31.561 13.688 1.00 0.00 C ATOM 648 CD1 TYR A 40 -14.307 -31.757 14.945 1.00 0.00 C ATOM 649 CD2 TYR A 40 -14.974 -30.253 13.220 1.00 0.00 C ATOM 650 CE1 TYR A 40 -13.886 -30.692 15.719 1.00 0.00 C ATOM 651 CE2 TYR A 40 -14.557 -29.180 13.989 1.00 0.00 C ATOM 652 CZ TYR A 40 -14.014 -29.405 15.235 1.00 0.00 C ATOM 653 OH TYR A 40 -13.612 -28.337 16.002 1.00 0.00 O ATOM 0 H TYR A 40 -15.992 -33.968 14.960 1.00 0.00 H new ATOM 0 HA TYR A 40 -17.426 -32.368 13.023 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.630 -33.576 13.020 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.240 -32.477 11.798 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.205 -32.762 15.327 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -15.397 -30.074 12.242 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -13.460 -30.865 16.696 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -14.657 -28.172 13.614 1.00 0.00 H new ATOM 0 HH TYR A 40 -12.818 -27.926 15.601 1.00 0.00 H new ATOM 663 N GLN A 41 -17.439 -35.504 12.703 1.00 0.00 N ATOM 664 CA GLN A 41 -17.913 -36.649 11.913 1.00 0.00 C ATOM 665 C GLN A 41 -16.898 -37.061 10.845 1.00 0.00 C ATOM 666 O GLN A 41 -17.242 -37.733 9.869 1.00 0.00 O ATOM 667 CB GLN A 41 -19.274 -36.329 11.271 1.00 0.00 C ATOM 668 CG GLN A 41 -20.400 -36.122 12.280 1.00 0.00 C ATOM 669 CD GLN A 41 -20.678 -37.362 13.114 1.00 0.00 C ATOM 670 OE1 GLN A 41 -21.482 -38.212 12.734 1.00 0.00 O ATOM 671 NE2 GLN A 41 -20.013 -37.476 14.253 1.00 0.00 N ATOM 0 H GLN A 41 -17.356 -35.700 13.701 1.00 0.00 H new ATOM 0 HA GLN A 41 -18.032 -37.493 12.592 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -19.175 -35.430 10.662 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -19.547 -37.142 10.598 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -20.142 -35.295 12.941 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -21.308 -35.835 11.750 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -19.354 -36.750 14.534 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -20.159 -38.290 14.850 1.00 0.00 H new ATOM 680 N ARG A 42 -15.641 -36.690 11.052 1.00 0.00 N ATOM 681 CA ARG A 42 -14.582 -36.971 10.088 1.00 0.00 C ATOM 682 C ARG A 42 -13.483 -37.805 10.747 1.00 0.00 C ATOM 683 O ARG A 42 -13.285 -37.720 11.961 1.00 0.00 O ATOM 684 CB ARG A 42 -14.020 -35.652 9.544 1.00 0.00 C ATOM 685 CG ARG A 42 -13.345 -34.786 10.601 1.00 0.00 C ATOM 686 CD ARG A 42 -13.058 -33.385 10.082 1.00 0.00 C ATOM 687 NE ARG A 42 -14.286 -32.614 9.859 1.00 0.00 N ATOM 688 CZ ARG A 42 -14.350 -31.509 9.108 1.00 0.00 C ATOM 689 NH1 ARG A 42 -13.271 -31.066 8.480 1.00 0.00 N ATOM 690 NH2 ARG A 42 -15.494 -30.848 8.981 1.00 0.00 N ATOM 0 H ARG A 42 -15.327 -36.190 11.884 1.00 0.00 H new ATOM 0 HA ARG A 42 -14.989 -37.544 9.255 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.301 -35.873 8.755 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -14.830 -35.084 9.086 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.983 -34.724 11.482 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.413 -35.256 10.915 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.425 -32.858 10.795 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.499 -33.453 9.149 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.144 -32.941 10.304 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.387 -31.568 8.568 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.324 -30.223 7.908 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.332 -31.182 9.458 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.535 -30.006 8.407 1.00 0.00 H new ATOM 704 N PRO A 43 -12.765 -38.633 9.962 1.00 0.00 N ATOM 705 CA PRO A 43 -11.720 -39.518 10.494 1.00 0.00 C ATOM 706 C PRO A 43 -10.543 -38.742 11.089 1.00 0.00 C ATOM 707 O PRO A 43 -10.235 -37.624 10.659 1.00 0.00 O ATOM 708 CB PRO A 43 -11.273 -40.330 9.268 1.00 0.00 C ATOM 709 CG PRO A 43 -11.646 -39.486 8.097 1.00 0.00 C ATOM 710 CD PRO A 43 -12.908 -38.770 8.497 1.00 0.00 C ATOM 0 HA PRO A 43 -12.090 -40.135 11.313 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -10.201 -40.523 9.291 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.771 -41.299 9.232 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -10.853 -38.778 7.857 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -11.807 -40.097 7.209 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.993 -37.800 8.008 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -13.797 -39.341 8.230 1.00 0.00 H new ATOM 718 N PHE A 44 -9.898 -39.343 12.085 1.00 0.00 N ATOM 719 CA PHE A 44 -8.735 -38.746 12.728 1.00 0.00 C ATOM 720 C PHE A 44 -7.663 -39.805 12.980 1.00 0.00 C ATOM 721 O PHE A 44 -7.939 -41.008 12.945 1.00 0.00 O ATOM 722 CB PHE A 44 -9.132 -38.059 14.046 1.00 0.00 C ATOM 723 CG PHE A 44 -9.705 -38.990 15.093 1.00 0.00 C ATOM 724 CD1 PHE A 44 -8.875 -39.616 16.017 1.00 0.00 C ATOM 725 CD2 PHE A 44 -11.072 -39.228 15.162 1.00 0.00 C ATOM 726 CE1 PHE A 44 -9.397 -40.457 16.982 1.00 0.00 C ATOM 727 CE2 PHE A 44 -11.597 -40.070 16.126 1.00 0.00 C ATOM 728 CZ PHE A 44 -10.758 -40.684 17.037 1.00 0.00 C ATOM 0 H PHE A 44 -10.165 -40.251 12.466 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.326 -37.989 12.059 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.255 -37.563 14.461 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -9.865 -37.282 13.829 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -7.810 -39.443 15.980 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -11.733 -38.750 14.454 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.740 -40.936 17.693 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -12.662 -40.247 16.167 1.00 0.00 H new ATOM 0 HZ PHE A 44 -11.167 -41.341 17.791 1.00 0.00 H new ATOM 738 N LYS A 45 -6.446 -39.347 13.231 1.00 0.00 N ATOM 739 CA LYS A 45 -5.310 -40.220 13.491 1.00 0.00 C ATOM 740 C LYS A 45 -4.779 -39.940 14.894 1.00 0.00 C ATOM 741 O LYS A 45 -4.293 -38.843 15.171 1.00 0.00 O ATOM 742 CB LYS A 45 -4.234 -39.973 12.415 1.00 0.00 C ATOM 743 CG LYS A 45 -2.969 -40.830 12.507 1.00 0.00 C ATOM 744 CD LYS A 45 -1.966 -40.309 13.536 1.00 0.00 C ATOM 745 CE LYS A 45 -1.594 -38.843 13.311 1.00 0.00 C ATOM 746 NZ LYS A 45 -1.019 -38.594 11.960 1.00 0.00 N ATOM 0 H LYS A 45 -6.217 -38.354 13.260 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.605 -41.268 13.443 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.686 -40.135 11.437 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.940 -38.924 12.460 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.247 -41.852 12.765 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.490 -40.867 11.528 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.385 -40.423 14.536 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.063 -40.918 13.497 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.481 -38.223 13.443 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.874 -38.535 14.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.276 -37.869 12.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.610 -39.475 11.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.768 -38.263 11.319 1.00 0.00 H new ATOM 760 N LEU A 46 -4.895 -40.926 15.777 1.00 0.00 N ATOM 761 CA LEU A 46 -4.439 -40.794 17.158 1.00 0.00 C ATOM 762 C LEU A 46 -3.116 -41.543 17.328 1.00 0.00 C ATOM 763 O LEU A 46 -3.090 -42.774 17.327 1.00 0.00 O ATOM 764 CB LEU A 46 -5.517 -41.351 18.117 1.00 0.00 C ATOM 765 CG LEU A 46 -5.388 -40.983 19.617 1.00 0.00 C ATOM 766 CD1 LEU A 46 -4.191 -41.668 20.278 1.00 0.00 C ATOM 767 CD2 LEU A 46 -5.307 -39.468 19.797 1.00 0.00 C ATOM 0 H LEU A 46 -5.305 -41.834 15.559 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.278 -39.743 17.398 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.491 -41.007 17.767 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.514 -42.438 18.034 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.286 -41.348 20.116 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.141 -41.380 21.328 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.304 -42.750 20.203 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.274 -41.363 19.774 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.217 -39.232 20.857 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.437 -39.084 19.265 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.210 -39.005 19.398 1.00 0.00 H new ATOM 779 N GLU A 47 -2.021 -40.796 17.451 1.00 0.00 N ATOM 780 CA GLU A 47 -0.698 -41.386 17.661 1.00 0.00 C ATOM 781 C GLU A 47 -0.079 -40.896 18.962 1.00 0.00 C ATOM 782 O GLU A 47 -0.084 -39.700 19.251 1.00 0.00 O ATOM 783 CB GLU A 47 0.247 -41.062 16.488 1.00 0.00 C ATOM 784 CG GLU A 47 0.269 -42.127 15.397 1.00 0.00 C ATOM 785 CD GLU A 47 0.739 -43.478 15.915 1.00 0.00 C ATOM 786 OE1 GLU A 47 1.926 -43.600 16.285 1.00 0.00 O ATOM 787 OE2 GLU A 47 -0.074 -44.426 15.948 1.00 0.00 O ATOM 0 H GLU A 47 -2.023 -39.777 17.409 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.832 -42.466 17.719 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.051 -40.111 16.047 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.258 -40.931 16.875 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.730 -42.231 14.974 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.925 -41.802 14.589 1.00 0.00 H new ATOM 794 N PHE A 48 0.439 -41.831 19.747 1.00 0.00 N ATOM 795 CA PHE A 48 1.226 -41.499 20.927 1.00 0.00 C ATOM 796 C PHE A 48 2.706 -41.547 20.569 1.00 0.00 C ATOM 797 O PHE A 48 3.223 -42.599 20.188 1.00 0.00 O ATOM 798 CB PHE A 48 0.923 -42.468 22.078 1.00 0.00 C ATOM 799 CG PHE A 48 1.791 -42.251 23.296 1.00 0.00 C ATOM 800 CD1 PHE A 48 1.788 -41.032 23.958 1.00 0.00 C ATOM 801 CD2 PHE A 48 2.615 -43.262 23.772 1.00 0.00 C ATOM 802 CE1 PHE A 48 2.585 -40.827 25.067 1.00 0.00 C ATOM 803 CE2 PHE A 48 3.414 -43.059 24.881 1.00 0.00 C ATOM 804 CZ PHE A 48 3.398 -41.842 25.529 1.00 0.00 C ATOM 0 H PHE A 48 0.327 -42.832 19.586 1.00 0.00 H new ATOM 0 HA PHE A 48 0.962 -40.495 21.260 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.123 -42.363 22.364 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.056 -43.491 21.725 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.154 -40.233 23.602 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.632 -44.218 23.270 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.572 -39.873 25.573 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.051 -43.854 25.240 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.021 -41.683 26.397 1.00 0.00 H new ATOM 814 N LYS A 49 3.378 -40.406 20.672 1.00 0.00 N ATOM 815 CA LYS A 49 4.790 -40.312 20.316 1.00 0.00 C ATOM 816 C LYS A 49 5.663 -40.949 21.391 1.00 0.00 C ATOM 817 O LYS A 49 6.242 -42.017 21.183 1.00 0.00 O ATOM 818 CB LYS A 49 5.194 -38.846 20.094 1.00 0.00 C ATOM 819 CG LYS A 49 4.593 -38.231 18.834 1.00 0.00 C ATOM 820 CD LYS A 49 5.037 -38.990 17.585 1.00 0.00 C ATOM 821 CE LYS A 49 4.472 -38.388 16.309 1.00 0.00 C ATOM 822 NZ LYS A 49 4.915 -39.144 15.107 1.00 0.00 N ATOM 0 H LYS A 49 2.968 -39.532 21.000 1.00 0.00 H new ATOM 0 HA LYS A 49 4.943 -40.858 19.385 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.885 -38.258 20.958 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.281 -38.782 20.037 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.505 -38.243 18.903 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.896 -37.187 18.755 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.126 -38.991 17.532 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.721 -40.030 17.664 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.383 -38.386 16.358 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.790 -37.349 16.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.512 -38.707 14.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.953 -39.125 15.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.590 -40.129 15.178 1.00 0.00 H new ATOM 836 N ASN A 50 5.749 -40.293 22.541 1.00 0.00 N ATOM 837 CA ASN A 50 6.576 -40.772 23.643 1.00 0.00 C ATOM 838 C ASN A 50 6.381 -39.901 24.873 1.00 0.00 C ATOM 839 O ASN A 50 5.815 -38.807 24.790 1.00 0.00 O ATOM 840 CB ASN A 50 8.068 -40.798 23.256 1.00 0.00 C ATOM 841 CG ASN A 50 8.609 -39.429 22.864 1.00 0.00 C ATOM 842 OD1 ASN A 50 9.059 -38.657 23.711 1.00 0.00 O ATOM 843 ND2 ASN A 50 8.583 -39.127 21.574 1.00 0.00 N ATOM 0 H ASN A 50 5.254 -39.423 22.736 1.00 0.00 H new ATOM 0 HA ASN A 50 6.262 -41.791 23.870 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.648 -41.184 24.094 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.209 -41.489 22.425 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.944 -38.229 21.253 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.202 -39.793 20.902 1.00 0.00 H new ATOM 850 N THR A 51 6.835 -40.406 26.010 1.00 0.00 N ATOM 851 CA THR A 51 6.799 -39.661 27.259 1.00 0.00 C ATOM 852 C THR A 51 8.132 -38.954 27.489 1.00 0.00 C ATOM 853 O THR A 51 9.191 -39.465 27.107 1.00 0.00 O ATOM 854 CB THR A 51 6.493 -40.589 28.463 1.00 0.00 C ATOM 855 OG1 THR A 51 6.454 -39.829 29.680 1.00 0.00 O ATOM 856 CG2 THR A 51 7.532 -41.701 28.589 1.00 0.00 C ATOM 0 H THR A 51 7.237 -41.340 26.093 1.00 0.00 H new ATOM 0 HA THR A 51 6.000 -38.923 27.181 1.00 0.00 H new ATOM 0 HB THR A 51 5.519 -41.047 28.287 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.572 -39.924 30.097 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.287 -42.333 29.443 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.532 -42.303 27.680 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.519 -41.262 28.734 1.00 0.00 H new ATOM 864 N SER A 52 8.074 -37.771 28.089 1.00 0.00 N ATOM 865 CA SER A 52 9.276 -37.052 28.485 1.00 0.00 C ATOM 866 C SER A 52 10.018 -37.857 29.552 1.00 0.00 C ATOM 867 O SER A 52 9.433 -38.745 30.181 1.00 0.00 O ATOM 868 CB SER A 52 8.909 -35.657 29.012 1.00 0.00 C ATOM 869 OG SER A 52 10.067 -34.916 29.353 1.00 0.00 O ATOM 0 H SER A 52 7.203 -37.289 28.312 1.00 0.00 H new ATOM 0 HA SER A 52 9.928 -36.926 27.620 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.339 -35.118 28.255 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.266 -35.754 29.887 1.00 0.00 H new ATOM 0 HG SER A 52 9.804 -34.032 29.684 1.00 0.00 H new ATOM 875 N LYS A 53 11.292 -37.547 29.762 1.00 0.00 N ATOM 876 CA LYS A 53 12.120 -38.309 30.693 1.00 0.00 C ATOM 877 C LYS A 53 11.615 -38.135 32.124 1.00 0.00 C ATOM 878 O LYS A 53 11.719 -39.047 32.947 1.00 0.00 O ATOM 879 CB LYS A 53 13.588 -37.878 30.575 1.00 0.00 C ATOM 880 CG LYS A 53 14.551 -38.728 31.399 1.00 0.00 C ATOM 881 CD LYS A 53 16.020 -38.383 31.134 1.00 0.00 C ATOM 882 CE LYS A 53 16.500 -38.848 29.758 1.00 0.00 C ATOM 883 NZ LYS A 53 15.893 -38.071 28.641 1.00 0.00 N ATOM 0 H LYS A 53 11.775 -36.775 29.302 1.00 0.00 H new ATOM 0 HA LYS A 53 12.052 -39.366 30.436 1.00 0.00 H new ATOM 0 HB2 LYS A 53 13.886 -37.921 29.527 1.00 0.00 H new ATOM 0 HB3 LYS A 53 13.677 -36.838 30.889 1.00 0.00 H new ATOM 0 HG2 LYS A 53 14.335 -38.590 32.458 1.00 0.00 H new ATOM 0 HG3 LYS A 53 14.383 -39.781 31.174 1.00 0.00 H new ATOM 0 HD2 LYS A 53 16.155 -37.305 31.215 1.00 0.00 H new ATOM 0 HD3 LYS A 53 16.641 -38.841 31.904 1.00 0.00 H new ATOM 0 HE2 LYS A 53 17.585 -38.760 29.708 1.00 0.00 H new ATOM 0 HE3 LYS A 53 16.260 -39.904 29.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.588 -37.964 27.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 15.057 -38.574 28.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 15.610 -37.131 28.985 1.00 0.00 H new ATOM 897 N ASN A 54 11.049 -36.965 32.407 1.00 0.00 N ATOM 898 CA ASN A 54 10.447 -36.693 33.714 1.00 0.00 C ATOM 899 C ASN A 54 9.102 -37.417 33.855 1.00 0.00 C ATOM 900 O ASN A 54 8.533 -37.481 34.947 1.00 0.00 O ATOM 901 CB ASN A 54 10.276 -35.177 33.928 1.00 0.00 C ATOM 902 CG ASN A 54 9.460 -34.494 32.836 1.00 0.00 C ATOM 903 OD1 ASN A 54 8.541 -35.078 32.258 1.00 0.00 O ATOM 904 ND2 ASN A 54 9.796 -33.246 32.544 1.00 0.00 N ATOM 0 H ASN A 54 10.993 -36.187 31.749 1.00 0.00 H new ATOM 0 HA ASN A 54 11.118 -37.073 34.484 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.794 -35.007 34.890 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.261 -34.712 33.978 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.288 -32.737 31.820 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.562 -32.794 33.043 1.00 0.00 H new ATOM 911 N ALA A 55 8.602 -37.945 32.732 1.00 0.00 N ATOM 912 CA ALA A 55 7.363 -38.734 32.694 1.00 0.00 C ATOM 913 C ALA A 55 6.135 -37.899 33.059 1.00 0.00 C ATOM 914 O ALA A 55 5.042 -38.435 33.245 1.00 0.00 O ATOM 915 CB ALA A 55 7.476 -39.959 33.601 1.00 0.00 C ATOM 0 H ALA A 55 9.046 -37.837 31.820 1.00 0.00 H new ATOM 0 HA ALA A 55 7.226 -39.071 31.666 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.548 -40.530 33.559 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.303 -40.585 33.266 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.657 -39.637 34.626 1.00 0.00 H new ATOM 921 N LYS A 56 6.315 -36.586 33.142 1.00 0.00 N ATOM 922 CA LYS A 56 5.225 -35.675 33.483 1.00 0.00 C ATOM 923 C LYS A 56 4.467 -35.251 32.226 1.00 0.00 C ATOM 924 O LYS A 56 3.278 -34.935 32.282 1.00 0.00 O ATOM 925 CB LYS A 56 5.785 -34.439 34.215 1.00 0.00 C ATOM 926 CG LYS A 56 4.761 -33.340 34.551 1.00 0.00 C ATOM 927 CD LYS A 56 3.844 -33.693 35.732 1.00 0.00 C ATOM 928 CE LYS A 56 2.705 -34.631 35.342 1.00 0.00 C ATOM 929 NZ LYS A 56 1.807 -34.920 36.490 1.00 0.00 N ATOM 0 H LYS A 56 7.210 -36.125 32.977 1.00 0.00 H new ATOM 0 HA LYS A 56 4.529 -36.192 34.143 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.252 -34.770 35.142 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.571 -34.001 33.600 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.293 -32.417 34.779 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.148 -33.146 33.671 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.437 -34.158 36.519 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.426 -32.776 36.147 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.127 -34.184 34.533 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.118 -35.565 34.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.047 -35.560 36.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.352 -35.370 37.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.392 -34.032 36.838 1.00 0.00 H new ATOM 943 N PHE A 57 5.160 -35.255 31.092 1.00 0.00 N ATOM 944 CA PHE A 57 4.583 -34.790 29.833 1.00 0.00 C ATOM 945 C PHE A 57 4.557 -35.912 28.798 1.00 0.00 C ATOM 946 O PHE A 57 5.600 -36.460 28.438 1.00 0.00 O ATOM 947 CB PHE A 57 5.387 -33.596 29.301 1.00 0.00 C ATOM 948 CG PHE A 57 5.517 -32.473 30.300 1.00 0.00 C ATOM 949 CD1 PHE A 57 4.438 -31.644 30.578 1.00 0.00 C ATOM 950 CD2 PHE A 57 6.714 -32.253 30.971 1.00 0.00 C ATOM 951 CE1 PHE A 57 4.551 -30.621 31.499 1.00 0.00 C ATOM 952 CE2 PHE A 57 6.830 -31.231 31.893 1.00 0.00 C ATOM 953 CZ PHE A 57 5.748 -30.413 32.157 1.00 0.00 C ATOM 0 H PHE A 57 6.125 -35.576 31.018 1.00 0.00 H new ATOM 0 HA PHE A 57 3.556 -34.477 30.018 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.382 -33.936 29.015 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.908 -33.217 28.399 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.499 -31.801 30.068 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.564 -32.889 30.769 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.704 -29.984 31.705 1.00 0.00 H new ATOM 0 HE2 PHE A 57 7.766 -31.071 32.407 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.838 -29.613 32.876 1.00 0.00 H new ATOM 963 N TYR A 58 3.359 -36.256 28.343 1.00 0.00 N ATOM 964 CA TYR A 58 3.165 -37.255 27.297 1.00 0.00 C ATOM 965 C TYR A 58 2.835 -36.563 25.976 1.00 0.00 C ATOM 966 O TYR A 58 1.906 -35.753 25.907 1.00 0.00 O ATOM 967 CB TYR A 58 2.037 -38.219 27.692 1.00 0.00 C ATOM 968 CG TYR A 58 2.361 -39.070 28.909 1.00 0.00 C ATOM 969 CD1 TYR A 58 2.995 -40.299 28.769 1.00 0.00 C ATOM 970 CD2 TYR A 58 2.035 -38.647 30.195 1.00 0.00 C ATOM 971 CE1 TYR A 58 3.291 -41.083 29.868 1.00 0.00 C ATOM 972 CE2 TYR A 58 2.331 -39.426 31.300 1.00 0.00 C ATOM 973 CZ TYR A 58 2.958 -40.643 31.130 1.00 0.00 C ATOM 974 OH TYR A 58 3.250 -41.428 32.226 1.00 0.00 O ATOM 0 H TYR A 58 2.490 -35.849 28.690 1.00 0.00 H new ATOM 0 HA TYR A 58 4.084 -37.828 27.174 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.133 -37.644 27.892 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.819 -38.874 26.849 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.261 -40.648 27.782 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.543 -37.695 30.332 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.781 -42.036 29.738 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.072 -39.083 32.291 1.00 0.00 H new ATOM 0 HH TYR A 58 2.952 -40.975 33.042 1.00 0.00 H new ATOM 984 N SER A 59 3.601 -36.873 24.934 1.00 0.00 N ATOM 985 CA SER A 59 3.437 -36.224 23.638 1.00 0.00 C ATOM 986 C SER A 59 2.544 -37.051 22.711 1.00 0.00 C ATOM 987 O SER A 59 2.858 -38.202 22.386 1.00 0.00 O ATOM 988 CB SER A 59 4.809 -35.994 22.990 1.00 0.00 C ATOM 989 OG SER A 59 4.691 -35.288 21.766 1.00 0.00 O ATOM 0 H SER A 59 4.343 -37.572 24.963 1.00 0.00 H new ATOM 0 HA SER A 59 2.950 -35.262 23.799 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.447 -35.435 23.674 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.295 -36.953 22.813 1.00 0.00 H new ATOM 0 HG SER A 59 5.581 -35.155 21.378 1.00 0.00 H new ATOM 995 N PHE A 60 1.425 -36.457 22.305 1.00 0.00 N ATOM 996 CA PHE A 60 0.518 -37.060 21.333 1.00 0.00 C ATOM 997 C PHE A 60 0.548 -36.266 20.031 1.00 0.00 C ATOM 998 O PHE A 60 0.870 -35.076 20.026 1.00 0.00 O ATOM 999 CB PHE A 60 -0.923 -37.088 21.867 1.00 0.00 C ATOM 1000 CG PHE A 60 -1.133 -38.013 23.037 1.00 0.00 C ATOM 1001 CD1 PHE A 60 -1.360 -39.367 22.833 1.00 0.00 C ATOM 1002 CD2 PHE A 60 -1.114 -37.530 24.338 1.00 0.00 C ATOM 1003 CE1 PHE A 60 -1.559 -40.218 23.900 1.00 0.00 C ATOM 1004 CE2 PHE A 60 -1.314 -38.379 25.407 1.00 0.00 C ATOM 1005 CZ PHE A 60 -1.537 -39.724 25.187 1.00 0.00 C ATOM 0 H PHE A 60 1.121 -35.543 22.641 1.00 0.00 H new ATOM 0 HA PHE A 60 0.849 -38.083 21.155 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.208 -36.078 22.162 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.592 -37.385 21.059 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.381 -39.759 21.827 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.941 -36.479 24.515 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.732 -41.270 23.728 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.296 -37.992 26.415 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.694 -40.389 26.023 1.00 0.00 H new ATOM 1015 N ASN A 61 0.206 -36.926 18.934 1.00 0.00 N ATOM 1016 CA ASN A 61 0.080 -36.266 17.640 1.00 0.00 C ATOM 1017 C ASN A 61 -1.216 -36.708 16.971 1.00 0.00 C ATOM 1018 O ASN A 61 -1.436 -37.901 16.745 1.00 0.00 O ATOM 1019 CB ASN A 61 1.289 -36.575 16.747 1.00 0.00 C ATOM 1020 CG ASN A 61 1.226 -35.850 15.412 1.00 0.00 C ATOM 1021 OD1 ASN A 61 1.619 -34.689 15.307 1.00 0.00 O ATOM 1022 ND2 ASN A 61 0.766 -36.536 14.379 1.00 0.00 N ATOM 0 H ASN A 61 0.009 -37.927 18.914 1.00 0.00 H new ATOM 0 HA ASN A 61 0.053 -35.187 17.793 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.204 -36.292 17.268 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.342 -37.649 16.571 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.728 -36.104 13.456 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.449 -37.497 14.506 1.00 0.00 H new ATOM 1029 N VAL A 62 -2.068 -35.739 16.665 1.00 0.00 N ATOM 1030 CA VAL A 62 -3.407 -36.004 16.151 1.00 0.00 C ATOM 1031 C VAL A 62 -3.615 -35.321 14.807 1.00 0.00 C ATOM 1032 O VAL A 62 -3.545 -34.103 14.722 1.00 0.00 O ATOM 1033 CB VAL A 62 -4.481 -35.485 17.142 1.00 0.00 C ATOM 1034 CG1 VAL A 62 -5.882 -35.617 16.551 1.00 0.00 C ATOM 1035 CG2 VAL A 62 -4.381 -36.215 18.481 1.00 0.00 C ATOM 0 H VAL A 62 -1.852 -34.747 16.766 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.506 -37.083 16.030 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.293 -34.426 17.319 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.615 -35.246 17.267 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.945 -35.035 15.632 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.087 -36.665 16.332 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.144 -35.835 19.161 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.533 -37.283 18.325 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.394 -36.049 18.913 1.00 0.00 H new ATOM 1045 N SER A 63 -3.889 -36.094 13.764 1.00 0.00 N ATOM 1046 CA SER A 63 -4.164 -35.517 12.453 1.00 0.00 C ATOM 1047 C SER A 63 -5.603 -35.793 12.050 1.00 0.00 C ATOM 1048 O SER A 63 -6.089 -36.913 12.192 1.00 0.00 O ATOM 1049 CB SER A 63 -3.194 -36.063 11.398 1.00 0.00 C ATOM 1050 OG SER A 63 -3.293 -37.469 11.276 1.00 0.00 O ATOM 0 H SER A 63 -3.927 -37.113 13.798 1.00 0.00 H new ATOM 0 HA SER A 63 -4.019 -34.439 12.516 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.404 -35.598 10.435 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.173 -35.792 11.667 1.00 0.00 H new ATOM 0 HG SER A 63 -4.228 -37.742 11.383 1.00 0.00 H new ATOM 1056 N MET A 64 -6.284 -34.768 11.563 1.00 0.00 N ATOM 1057 CA MET A 64 -7.667 -34.901 11.123 1.00 0.00 C ATOM 1058 C MET A 64 -7.895 -34.044 9.889 1.00 0.00 C ATOM 1059 O MET A 64 -7.077 -33.173 9.572 1.00 0.00 O ATOM 1060 CB MET A 64 -8.635 -34.484 12.239 1.00 0.00 C ATOM 1061 CG MET A 64 -8.576 -33.001 12.589 1.00 0.00 C ATOM 1062 SD MET A 64 -9.692 -32.558 13.936 1.00 0.00 S ATOM 1063 CE MET A 64 -11.271 -33.091 13.279 1.00 0.00 C ATOM 0 H MET A 64 -5.900 -33.828 11.461 1.00 0.00 H new ATOM 0 HA MET A 64 -7.857 -35.946 10.878 1.00 0.00 H new ATOM 0 HB2 MET A 64 -9.652 -34.735 11.937 1.00 0.00 H new ATOM 0 HB3 MET A 64 -8.415 -35.067 13.133 1.00 0.00 H new ATOM 0 HG2 MET A 64 -7.555 -32.738 12.867 1.00 0.00 H new ATOM 0 HG3 MET A 64 -8.828 -32.413 11.706 1.00 0.00 H new ATOM 0 HE1 MET A 64 -11.977 -32.261 13.311 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.144 -33.420 12.248 1.00 0.00 H new ATOM 0 HE3 MET A 64 -11.654 -33.917 13.878 1.00 0.00 H new ATOM 1073 N GLU A 65 -8.997 -34.296 9.194 1.00 0.00 N ATOM 1074 CA GLU A 65 -9.337 -33.530 8.004 1.00 0.00 C ATOM 1075 C GLU A 65 -9.749 -32.112 8.380 1.00 0.00 C ATOM 1076 O GLU A 65 -10.754 -31.907 9.061 1.00 0.00 O ATOM 1077 CB GLU A 65 -10.484 -34.187 7.231 1.00 0.00 C ATOM 1078 CG GLU A 65 -10.273 -35.659 6.908 1.00 0.00 C ATOM 1079 CD GLU A 65 -11.410 -36.235 6.077 1.00 0.00 C ATOM 1080 OE1 GLU A 65 -12.588 -35.991 6.421 1.00 0.00 O ATOM 1081 OE2 GLU A 65 -11.134 -36.935 5.081 1.00 0.00 O ATOM 0 H GLU A 65 -9.669 -35.024 9.434 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.449 -33.502 7.372 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.401 -34.084 7.812 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.634 -33.643 6.299 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.334 -35.780 6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.182 -36.223 7.836 1.00 0.00 H new ATOM 1088 N VAL A 66 -8.971 -31.141 7.947 1.00 0.00 N ATOM 1089 CA VAL A 66 -9.343 -29.744 8.100 1.00 0.00 C ATOM 1090 C VAL A 66 -9.951 -29.247 6.795 1.00 0.00 C ATOM 1091 O VAL A 66 -9.352 -29.392 5.729 1.00 0.00 O ATOM 1092 CB VAL A 66 -8.130 -28.863 8.506 1.00 0.00 C ATOM 1093 CG1 VAL A 66 -7.670 -29.216 9.918 1.00 0.00 C ATOM 1094 CG2 VAL A 66 -6.977 -29.016 7.514 1.00 0.00 C ATOM 0 H VAL A 66 -8.074 -31.291 7.485 1.00 0.00 H new ATOM 0 HA VAL A 66 -10.075 -29.667 8.904 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.449 -27.821 8.489 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.819 -28.591 10.190 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.486 -29.044 10.620 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.376 -30.265 9.953 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.143 -28.387 7.826 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.656 -30.057 7.487 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -7.309 -28.713 6.521 1.00 0.00 H new ATOM 1104 N SER A 67 -11.150 -28.684 6.881 1.00 0.00 N ATOM 1105 CA SER A 67 -11.869 -28.225 5.697 1.00 0.00 C ATOM 1106 C SER A 67 -11.277 -26.920 5.186 1.00 0.00 C ATOM 1107 O SER A 67 -11.179 -26.696 3.979 1.00 0.00 O ATOM 1108 CB SER A 67 -13.351 -28.035 6.031 1.00 0.00 C ATOM 1109 OG SER A 67 -13.891 -29.211 6.618 1.00 0.00 O ATOM 0 H SER A 67 -11.646 -28.534 7.759 1.00 0.00 H new ATOM 0 HA SER A 67 -11.772 -28.978 4.915 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.469 -27.195 6.715 1.00 0.00 H new ATOM 0 HB3 SER A 67 -13.904 -27.789 5.125 1.00 0.00 H new ATOM 0 HG SER A 67 -14.866 -29.128 6.679 1.00 0.00 H new ATOM 1115 N ASN A 68 -10.864 -26.077 6.122 1.00 0.00 N ATOM 1116 CA ASN A 68 -10.358 -24.752 5.806 1.00 0.00 C ATOM 1117 C ASN A 68 -9.640 -24.166 7.018 1.00 0.00 C ATOM 1118 O ASN A 68 -9.587 -24.796 8.078 1.00 0.00 O ATOM 1119 CB ASN A 68 -11.507 -23.844 5.346 1.00 0.00 C ATOM 1120 CG ASN A 68 -12.654 -23.782 6.341 1.00 0.00 C ATOM 1121 OD1 ASN A 68 -13.503 -24.669 6.383 1.00 0.00 O ATOM 1122 ND2 ASN A 68 -12.710 -22.716 7.116 1.00 0.00 N ATOM 0 H ASN A 68 -10.871 -26.293 7.119 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.640 -24.825 4.989 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.123 -22.837 5.181 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.884 -24.202 4.388 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.477 -22.607 7.779 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.986 -22.000 7.052 1.00 0.00 H new ATOM 1129 N GLU A 69 -9.099 -22.962 6.858 1.00 0.00 N ATOM 1130 CA GLU A 69 -8.279 -22.333 7.895 1.00 0.00 C ATOM 1131 C GLU A 69 -9.057 -22.189 9.203 1.00 0.00 C ATOM 1132 O GLU A 69 -8.544 -22.493 10.280 1.00 0.00 O ATOM 1133 CB GLU A 69 -7.782 -20.962 7.415 1.00 0.00 C ATOM 1134 CG GLU A 69 -6.893 -20.236 8.420 1.00 0.00 C ATOM 1135 CD GLU A 69 -6.405 -18.891 7.907 1.00 0.00 C ATOM 1136 OE1 GLU A 69 -7.147 -17.894 8.045 1.00 0.00 O ATOM 1137 OE2 GLU A 69 -5.285 -18.826 7.359 1.00 0.00 O ATOM 0 H GLU A 69 -9.213 -22.398 6.016 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.420 -22.976 8.086 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.229 -21.093 6.485 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.644 -20.334 7.188 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.446 -20.088 9.347 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.034 -20.863 8.658 1.00 0.00 H new ATOM 1144 N SER A 70 -10.302 -21.741 9.098 1.00 0.00 N ATOM 1145 CA SER A 70 -11.154 -21.549 10.270 1.00 0.00 C ATOM 1146 C SER A 70 -11.305 -22.851 11.067 1.00 0.00 C ATOM 1147 O SER A 70 -11.348 -22.832 12.300 1.00 0.00 O ATOM 1148 CB SER A 70 -12.519 -21.019 9.826 1.00 0.00 C ATOM 1149 OG SER A 70 -12.361 -19.897 8.969 1.00 0.00 O ATOM 0 H SER A 70 -10.747 -21.503 8.212 1.00 0.00 H new ATOM 0 HA SER A 70 -10.684 -20.819 10.929 1.00 0.00 H new ATOM 0 HB2 SER A 70 -13.070 -21.804 9.309 1.00 0.00 H new ATOM 0 HB3 SER A 70 -13.108 -20.738 10.699 1.00 0.00 H new ATOM 0 HG SER A 70 -13.242 -19.570 8.692 1.00 0.00 H new ATOM 1155 N GLU A 71 -11.355 -23.982 10.359 1.00 0.00 N ATOM 1156 CA GLU A 71 -11.493 -25.284 11.010 1.00 0.00 C ATOM 1157 C GLU A 71 -10.272 -25.588 11.868 1.00 0.00 C ATOM 1158 O GLU A 71 -10.404 -25.933 13.039 1.00 0.00 O ATOM 1159 CB GLU A 71 -11.688 -26.404 9.980 1.00 0.00 C ATOM 1160 CG GLU A 71 -12.943 -26.255 9.134 1.00 0.00 C ATOM 1161 CD GLU A 71 -14.220 -26.219 9.959 1.00 0.00 C ATOM 1162 OE1 GLU A 71 -14.657 -27.287 10.433 1.00 0.00 O ATOM 1163 OE2 GLU A 71 -14.798 -25.123 10.121 1.00 0.00 O ATOM 0 H GLU A 71 -11.302 -24.021 9.341 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.377 -25.239 11.646 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.820 -26.433 9.322 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.725 -27.361 10.501 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.871 -25.339 8.547 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.998 -27.083 8.427 1.00 0.00 H new ATOM 1170 N ARG A 72 -9.079 -25.445 11.285 1.00 0.00 N ATOM 1171 CA ARG A 72 -7.843 -25.782 11.993 1.00 0.00 C ATOM 1172 C ARG A 72 -7.712 -24.930 13.257 1.00 0.00 C ATOM 1173 O ARG A 72 -7.150 -25.371 14.260 1.00 0.00 O ATOM 1174 CB ARG A 72 -6.609 -25.598 11.088 1.00 0.00 C ATOM 1175 CG ARG A 72 -6.126 -24.155 10.984 1.00 0.00 C ATOM 1176 CD ARG A 72 -4.930 -24.000 10.053 1.00 0.00 C ATOM 1177 NE ARG A 72 -4.366 -22.653 10.149 1.00 0.00 N ATOM 1178 CZ ARG A 72 -3.891 -21.945 9.125 1.00 0.00 C ATOM 1179 NH1 ARG A 72 -3.885 -22.446 7.891 1.00 0.00 N ATOM 1180 NH2 ARG A 72 -3.430 -20.720 9.342 1.00 0.00 N ATOM 0 H ARG A 72 -8.944 -25.102 10.334 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.892 -26.833 12.277 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.796 -26.216 11.469 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.846 -25.964 10.089 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.943 -23.528 10.627 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.857 -23.794 11.977 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.168 -24.737 10.307 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.235 -24.199 9.026 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.334 -22.222 11.073 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.247 -23.384 7.720 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.518 -21.892 7.117 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.442 -20.330 10.284 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.064 -20.168 8.566 1.00 0.00 H new ATOM 1194 N ASN A 73 -8.251 -23.711 13.197 1.00 0.00 N ATOM 1195 CA ASN A 73 -8.262 -22.814 14.349 1.00 0.00 C ATOM 1196 C ASN A 73 -9.152 -23.393 15.441 1.00 0.00 C ATOM 1197 O ASN A 73 -8.705 -23.634 16.563 1.00 0.00 O ATOM 1198 CB ASN A 73 -8.783 -21.420 13.959 1.00 0.00 C ATOM 1199 CG ASN A 73 -7.978 -20.750 12.857 1.00 0.00 C ATOM 1200 OD1 ASN A 73 -6.773 -20.975 12.712 1.00 0.00 O ATOM 1201 ND2 ASN A 73 -8.639 -19.904 12.081 1.00 0.00 N ATOM 0 H ASN A 73 -8.686 -23.324 12.360 1.00 0.00 H new ATOM 0 HA ASN A 73 -7.239 -22.715 14.713 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -9.820 -21.507 13.636 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -8.776 -20.780 14.841 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.152 -19.412 11.332 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -9.635 -19.745 12.232 1.00 0.00 H new ATOM 1208 N GLU A 74 -10.415 -23.634 15.085 1.00 0.00 N ATOM 1209 CA GLU A 74 -11.406 -24.153 16.025 1.00 0.00 C ATOM 1210 C GLU A 74 -10.927 -25.451 16.670 1.00 0.00 C ATOM 1211 O GLU A 74 -10.948 -25.593 17.895 1.00 0.00 O ATOM 1212 CB GLU A 74 -12.746 -24.385 15.312 1.00 0.00 C ATOM 1213 CG GLU A 74 -13.776 -25.092 16.186 1.00 0.00 C ATOM 1214 CD GLU A 74 -15.141 -25.223 15.534 1.00 0.00 C ATOM 1215 OE1 GLU A 74 -15.683 -24.205 15.056 1.00 0.00 O ATOM 1216 OE2 GLU A 74 -15.696 -26.343 15.541 1.00 0.00 O ATOM 0 H GLU A 74 -10.776 -23.476 14.144 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.543 -23.411 16.812 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -13.150 -23.425 14.990 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -12.574 -24.977 14.413 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.406 -26.086 16.437 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.881 -24.545 17.123 1.00 0.00 H new ATOM 1223 N ILE A 75 -10.494 -26.387 15.835 1.00 0.00 N ATOM 1224 CA ILE A 75 -10.016 -27.687 16.295 1.00 0.00 C ATOM 1225 C ILE A 75 -8.870 -27.513 17.289 1.00 0.00 C ATOM 1226 O ILE A 75 -8.832 -28.167 18.333 1.00 0.00 O ATOM 1227 CB ILE A 75 -9.558 -28.557 15.097 1.00 0.00 C ATOM 1228 CG1 ILE A 75 -10.737 -28.762 14.128 1.00 0.00 C ATOM 1229 CG2 ILE A 75 -9.006 -29.899 15.582 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -10.347 -29.332 12.782 1.00 0.00 C ATOM 0 H ILE A 75 -10.464 -26.268 14.822 1.00 0.00 H new ATOM 0 HA ILE A 75 -10.840 -28.195 16.796 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.755 -28.042 14.569 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -11.463 -29.428 14.594 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -11.235 -27.805 13.973 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.690 -30.494 14.725 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -8.153 -29.726 16.238 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -9.781 -30.435 16.130 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.237 -29.444 12.163 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.645 -28.658 12.291 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -9.877 -30.306 12.921 1.00 0.00 H new ATOM 1242 N PHE A 76 -7.960 -26.599 16.967 1.00 0.00 N ATOM 1243 CA PHE A 76 -6.835 -26.275 17.839 1.00 0.00 C ATOM 1244 C PHE A 76 -7.340 -25.799 19.205 1.00 0.00 C ATOM 1245 O PHE A 76 -6.806 -26.183 20.250 1.00 0.00 O ATOM 1246 CB PHE A 76 -5.964 -25.195 17.176 1.00 0.00 C ATOM 1247 CG PHE A 76 -4.754 -24.789 17.978 1.00 0.00 C ATOM 1248 CD1 PHE A 76 -3.591 -25.544 17.934 1.00 0.00 C ATOM 1249 CD2 PHE A 76 -4.778 -23.648 18.768 1.00 0.00 C ATOM 1250 CE1 PHE A 76 -2.479 -25.170 18.663 1.00 0.00 C ATOM 1251 CE2 PHE A 76 -3.670 -23.270 19.496 1.00 0.00 C ATOM 1252 CZ PHE A 76 -2.518 -24.031 19.444 1.00 0.00 C ATOM 0 H PHE A 76 -7.981 -26.064 16.099 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.231 -27.169 17.994 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -5.634 -25.559 16.203 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -6.577 -24.312 16.995 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.555 -26.434 17.323 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -5.676 -23.049 18.813 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.580 -25.767 18.623 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.702 -22.380 20.106 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.649 -23.736 20.013 1.00 0.00 H new ATOM 1262 N GLN A 77 -8.388 -24.977 19.184 1.00 0.00 N ATOM 1263 CA GLN A 77 -8.985 -24.446 20.408 1.00 0.00 C ATOM 1264 C GLN A 77 -9.660 -25.566 21.204 1.00 0.00 C ATOM 1265 O GLN A 77 -9.573 -25.610 22.434 1.00 0.00 O ATOM 1266 CB GLN A 77 -10.004 -23.351 20.065 1.00 0.00 C ATOM 1267 CG GLN A 77 -9.427 -22.218 19.221 1.00 0.00 C ATOM 1268 CD GLN A 77 -10.475 -21.202 18.798 1.00 0.00 C ATOM 1269 OE1 GLN A 77 -11.125 -21.355 17.762 1.00 0.00 O ATOM 1270 NE2 GLN A 77 -10.638 -20.152 19.585 1.00 0.00 N ATOM 0 H GLN A 77 -8.843 -24.663 18.327 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.195 -24.013 21.022 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.841 -23.800 19.530 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.403 -22.936 20.990 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -8.645 -21.712 19.787 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.956 -22.638 18.332 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.081 -20.060 20.435 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -11.321 -19.434 19.342 1.00 0.00 H new ATOM 1279 N LYS A 78 -10.317 -26.479 20.490 1.00 0.00 N ATOM 1280 CA LYS A 78 -10.996 -27.617 21.114 1.00 0.00 C ATOM 1281 C LYS A 78 -10.001 -28.450 21.924 1.00 0.00 C ATOM 1282 O LYS A 78 -10.295 -28.884 23.039 1.00 0.00 O ATOM 1283 CB LYS A 78 -11.648 -28.508 20.044 1.00 0.00 C ATOM 1284 CG LYS A 78 -12.720 -27.822 19.200 1.00 0.00 C ATOM 1285 CD LYS A 78 -13.992 -27.535 19.992 1.00 0.00 C ATOM 1286 CE LYS A 78 -15.076 -26.926 19.106 1.00 0.00 C ATOM 1287 NZ LYS A 78 -15.436 -27.815 17.966 1.00 0.00 N ATOM 0 H LYS A 78 -10.394 -26.453 19.473 1.00 0.00 H new ATOM 0 HA LYS A 78 -11.769 -27.228 21.777 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.869 -28.883 19.380 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.092 -29.374 20.535 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.323 -26.887 18.805 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.963 -28.452 18.345 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.361 -28.459 20.437 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.766 -26.854 20.812 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -15.965 -26.729 19.706 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -14.732 -25.966 18.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -16.233 -27.401 17.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -14.618 -27.915 17.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -15.709 -28.751 18.328 1.00 0.00 H new ATOM 1301 N ILE A 79 -8.818 -28.645 21.347 1.00 0.00 N ATOM 1302 CA ILE A 79 -7.781 -29.494 21.932 1.00 0.00 C ATOM 1303 C ILE A 79 -7.346 -29.006 23.317 1.00 0.00 C ATOM 1304 O ILE A 79 -6.968 -29.803 24.171 1.00 0.00 O ATOM 1305 CB ILE A 79 -6.542 -29.576 20.999 1.00 0.00 C ATOM 1306 CG1 ILE A 79 -6.922 -30.242 19.665 1.00 0.00 C ATOM 1307 CG2 ILE A 79 -5.395 -30.335 21.669 1.00 0.00 C ATOM 1308 CD1 ILE A 79 -5.787 -30.308 18.664 1.00 0.00 C ATOM 0 H ILE A 79 -8.550 -28.219 20.460 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.218 -30.486 22.045 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.200 -28.560 20.800 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.277 -31.253 19.864 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.753 -29.694 19.221 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.542 -30.376 20.992 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -5.106 -29.822 22.586 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.719 -31.348 21.907 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.135 -30.791 17.751 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.446 -29.299 18.434 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.962 -30.882 19.086 1.00 0.00 H new ATOM 1320 N SER A 80 -7.406 -27.700 23.547 1.00 0.00 N ATOM 1321 CA SER A 80 -6.941 -27.139 24.815 1.00 0.00 C ATOM 1322 C SER A 80 -7.992 -27.285 25.921 1.00 0.00 C ATOM 1323 O SER A 80 -7.698 -27.076 27.099 1.00 0.00 O ATOM 1324 CB SER A 80 -6.552 -25.667 24.636 1.00 0.00 C ATOM 1325 OG SER A 80 -7.653 -24.878 24.203 1.00 0.00 O ATOM 0 H SER A 80 -7.767 -27.015 22.883 1.00 0.00 H new ATOM 0 HA SER A 80 -6.061 -27.704 25.123 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.172 -25.274 25.579 1.00 0.00 H new ATOM 0 HB3 SER A 80 -5.743 -25.591 23.910 1.00 0.00 H new ATOM 0 HG SER A 80 -8.180 -25.382 23.548 1.00 0.00 H new ATOM 1331 N GLN A 81 -9.206 -27.685 25.545 1.00 0.00 N ATOM 1332 CA GLN A 81 -10.326 -27.751 26.487 1.00 0.00 C ATOM 1333 C GLN A 81 -10.256 -28.995 27.382 1.00 0.00 C ATOM 1334 O GLN A 81 -11.197 -29.277 28.127 1.00 0.00 O ATOM 1335 CB GLN A 81 -11.659 -27.739 25.726 1.00 0.00 C ATOM 1336 CG GLN A 81 -11.913 -26.461 24.931 1.00 0.00 C ATOM 1337 CD GLN A 81 -13.221 -26.499 24.152 1.00 0.00 C ATOM 1338 OE1 GLN A 81 -13.870 -25.470 23.950 1.00 0.00 O ATOM 1339 NE2 GLN A 81 -13.616 -27.681 23.700 1.00 0.00 N ATOM 0 H GLN A 81 -9.441 -27.969 24.594 1.00 0.00 H new ATOM 0 HA GLN A 81 -10.259 -26.873 27.130 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.683 -28.589 25.044 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.472 -27.879 26.438 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -11.927 -25.611 25.613 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -11.087 -26.300 24.238 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.054 -28.512 23.886 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.482 -27.760 23.166 1.00 0.00 H new ATOM 1348 N LEU A 82 -9.150 -29.737 27.310 1.00 0.00 N ATOM 1349 CA LEU A 82 -8.992 -30.952 28.117 1.00 0.00 C ATOM 1350 C LEU A 82 -8.518 -30.602 29.522 1.00 0.00 C ATOM 1351 O LEU A 82 -8.743 -31.362 30.464 1.00 0.00 O ATOM 1352 CB LEU A 82 -7.981 -31.920 27.474 1.00 0.00 C ATOM 1353 CG LEU A 82 -7.985 -31.954 25.940 1.00 0.00 C ATOM 1354 CD1 LEU A 82 -6.888 -32.872 25.412 1.00 0.00 C ATOM 1355 CD2 LEU A 82 -9.351 -32.374 25.411 1.00 0.00 C ATOM 0 H LEU A 82 -8.356 -29.522 26.707 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.966 -31.439 28.168 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.980 -31.650 27.812 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.182 -32.926 27.843 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.780 -30.946 25.579 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.912 -32.879 24.322 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.917 -32.511 25.751 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.049 -33.884 25.785 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.330 -32.391 24.321 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.596 -33.368 25.785 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.106 -31.664 25.748 1.00 0.00 H new ATOM 1367 N ASP A 83 -7.830 -29.459 29.635 1.00 0.00 N ATOM 1368 CA ASP A 83 -7.201 -29.005 30.890 1.00 0.00 C ATOM 1369 C ASP A 83 -5.964 -29.843 31.229 1.00 0.00 C ATOM 1370 O ASP A 83 -4.948 -29.314 31.678 1.00 0.00 O ATOM 1371 CB ASP A 83 -8.194 -29.020 32.063 1.00 0.00 C ATOM 1372 CG ASP A 83 -7.587 -28.485 33.354 1.00 0.00 C ATOM 1373 OD1 ASP A 83 -7.512 -27.247 33.510 1.00 0.00 O ATOM 1374 OD2 ASP A 83 -7.187 -29.295 34.218 1.00 0.00 O ATOM 0 H ASP A 83 -7.691 -28.816 28.855 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.885 -27.974 30.730 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.067 -28.422 31.802 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.543 -30.040 32.226 1.00 0.00 H new ATOM 1379 N LYS A 84 -6.050 -31.149 30.991 1.00 0.00 N ATOM 1380 CA LYS A 84 -4.934 -32.071 31.220 1.00 0.00 C ATOM 1381 C LYS A 84 -3.865 -31.933 30.127 1.00 0.00 C ATOM 1382 O LYS A 84 -2.926 -32.728 30.058 1.00 0.00 O ATOM 1383 CB LYS A 84 -5.455 -33.517 31.290 1.00 0.00 C ATOM 1384 CG LYS A 84 -6.333 -33.916 30.104 1.00 0.00 C ATOM 1385 CD LYS A 84 -7.021 -35.264 30.315 1.00 0.00 C ATOM 1386 CE LYS A 84 -7.894 -35.281 31.569 1.00 0.00 C ATOM 1387 NZ LYS A 84 -8.410 -36.644 31.879 1.00 0.00 N ATOM 0 H LYS A 84 -6.892 -31.600 30.635 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.467 -31.816 32.171 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.605 -34.197 31.345 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.025 -33.644 32.210 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.088 -33.148 29.940 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.722 -33.960 29.202 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -7.635 -35.496 29.445 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.266 -36.047 30.390 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.316 -34.912 32.416 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.733 -34.599 31.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.446 -36.611 31.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.149 -37.297 31.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.996 -36.977 32.773 1.00 0.00 H new ATOM 1401 N VAL A 85 -4.023 -30.924 29.274 1.00 0.00 N ATOM 1402 CA VAL A 85 -3.043 -30.603 28.244 1.00 0.00 C ATOM 1403 C VAL A 85 -2.336 -29.296 28.608 1.00 0.00 C ATOM 1404 O VAL A 85 -2.988 -28.315 28.974 1.00 0.00 O ATOM 1405 CB VAL A 85 -3.710 -30.482 26.847 1.00 0.00 C ATOM 1406 CG1 VAL A 85 -4.831 -29.442 26.859 1.00 0.00 C ATOM 1407 CG2 VAL A 85 -2.674 -30.155 25.773 1.00 0.00 C ATOM 0 H VAL A 85 -4.835 -30.307 29.279 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.315 -31.413 28.193 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.153 -31.448 26.605 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.280 -29.379 25.868 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.591 -29.735 27.583 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.422 -28.470 27.135 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.167 -30.076 24.804 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.189 -29.209 26.012 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.926 -30.947 25.736 1.00 0.00 H new ATOM 1417 N VAL A 86 -1.007 -29.291 28.535 1.00 0.00 N ATOM 1418 CA VAL A 86 -0.223 -28.120 28.930 1.00 0.00 C ATOM 1419 C VAL A 86 0.195 -27.287 27.720 1.00 0.00 C ATOM 1420 O VAL A 86 0.234 -26.055 27.789 1.00 0.00 O ATOM 1421 CB VAL A 86 1.037 -28.519 29.743 1.00 0.00 C ATOM 1422 CG1 VAL A 86 0.641 -29.149 31.078 1.00 0.00 C ATOM 1423 CG2 VAL A 86 1.934 -29.464 28.940 1.00 0.00 C ATOM 0 H VAL A 86 -0.451 -30.081 28.207 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.872 -27.516 29.565 1.00 0.00 H new ATOM 0 HB VAL A 86 1.606 -27.612 29.949 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.539 -29.421 31.632 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.059 -28.434 31.659 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.042 -30.041 30.896 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.809 -29.727 29.534 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.379 -30.369 28.691 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.253 -28.970 28.022 1.00 0.00 H new ATOM 1433 N GLN A 87 0.485 -27.954 26.605 1.00 0.00 N ATOM 1434 CA GLN A 87 0.975 -27.265 25.414 1.00 0.00 C ATOM 1435 C GLN A 87 0.353 -27.856 24.151 1.00 0.00 C ATOM 1436 O GLN A 87 0.299 -29.077 23.982 1.00 0.00 O ATOM 1437 CB GLN A 87 2.509 -27.341 25.343 1.00 0.00 C ATOM 1438 CG GLN A 87 3.112 -26.489 24.230 1.00 0.00 C ATOM 1439 CD GLN A 87 4.628 -26.564 24.174 1.00 0.00 C ATOM 1440 OE1 GLN A 87 5.196 -27.407 23.483 1.00 0.00 O ATOM 1441 NE2 GLN A 87 5.294 -25.686 24.910 1.00 0.00 N ATOM 0 H GLN A 87 0.390 -28.964 26.502 1.00 0.00 H new ATOM 0 HA GLN A 87 0.681 -26.218 25.481 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.925 -27.022 26.299 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.807 -28.379 25.196 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.703 -26.811 23.272 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.811 -25.451 24.372 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.787 -25.001 25.471 1.00 0.00 H new ATOM 0 HE22 GLN A 87 6.314 -25.695 24.916 1.00 0.00 H new ATOM 1450 N THR A 88 -0.121 -26.976 23.277 1.00 0.00 N ATOM 1451 CA THR A 88 -0.729 -27.365 22.013 1.00 0.00 C ATOM 1452 C THR A 88 0.008 -26.697 20.851 1.00 0.00 C ATOM 1453 O THR A 88 0.027 -25.465 20.751 1.00 0.00 O ATOM 1454 CB THR A 88 -2.224 -26.964 21.980 1.00 0.00 C ATOM 1455 OG1 THR A 88 -2.364 -25.576 22.324 1.00 0.00 O ATOM 1456 CG2 THR A 88 -3.046 -27.815 22.944 1.00 0.00 C ATOM 0 H THR A 88 -0.094 -25.968 23.427 1.00 0.00 H new ATOM 0 HA THR A 88 -0.655 -28.448 21.915 1.00 0.00 H new ATOM 0 HB THR A 88 -2.597 -27.133 20.970 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.419 -25.040 21.505 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.091 -27.510 22.898 1.00 0.00 H new ATOM 0 HG22 THR A 88 -2.962 -28.865 22.664 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.672 -27.679 23.959 1.00 0.00 H new ATOM 1464 N LEU A 89 0.630 -27.503 19.994 1.00 0.00 N ATOM 1465 CA LEU A 89 1.379 -26.988 18.846 1.00 0.00 C ATOM 1466 C LEU A 89 0.612 -27.256 17.553 1.00 0.00 C ATOM 1467 O LEU A 89 -0.055 -28.287 17.422 1.00 0.00 O ATOM 1468 CB LEU A 89 2.779 -27.629 18.753 1.00 0.00 C ATOM 1469 CG LEU A 89 3.674 -27.506 20.004 1.00 0.00 C ATOM 1470 CD1 LEU A 89 3.203 -28.444 21.115 1.00 0.00 C ATOM 1471 CD2 LEU A 89 5.136 -27.779 19.651 1.00 0.00 C ATOM 0 H LEU A 89 0.631 -28.520 20.072 1.00 0.00 H new ATOM 0 HA LEU A 89 1.500 -25.914 18.986 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.656 -28.687 18.524 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.305 -27.180 17.911 1.00 0.00 H new ATOM 0 HG LEU A 89 3.594 -26.484 20.373 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.853 -28.335 21.983 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.180 -28.193 21.394 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.240 -29.474 20.761 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.750 -27.687 20.547 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.231 -28.787 19.248 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.471 -27.057 18.906 1.00 0.00 H new