USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 443 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 22 SER OG : rot 27:sc= -2.79 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 30 GLN : amide:sc= -0.0821 K(o=-0.082,f=-1.2!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 131:sc= -1.43 USER MOD Single : A 38 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-3.2!) USER MOD Single : A 43 SER OG : rot 66:sc= 0.458 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -163:sc= -1.94! (180deg=-2.2) USER MOD Single : A 51 MET CE :methyl 167:sc=-0.00941 (180deg=-0.205) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.00944 USER MOD Single : A 58 ASN : amide:sc= -0.905 K(o=-0.9,f=-5.9!) USER MOD Single : A 60 GLN : amide:sc= -0.0113 X(o=-0.011,f=-0.0064) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 214 N VAL A 19 -5.972 4.848 1.309 1.00 0.00 N ATOM 215 CA VAL A 19 -6.410 3.517 0.924 1.00 0.00 C ATOM 216 C VAL A 19 -5.596 3.046 -0.284 1.00 0.00 C ATOM 217 O VAL A 19 -5.640 3.665 -1.345 1.00 0.00 O ATOM 218 CB VAL A 19 -7.918 3.516 0.665 1.00 0.00 C ATOM 219 CG1 VAL A 19 -8.292 4.546 -0.403 1.00 0.00 C ATOM 220 CG2 VAL A 19 -8.407 2.120 0.276 1.00 0.00 C ATOM 0 HA VAL A 19 -6.232 2.808 1.733 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.417 3.799 1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.369 4.524 -0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.996 5.540 -0.069 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.778 4.308 -1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.482 2.148 0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.897 1.795 -0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.191 1.421 1.084 1.00 0.00 H new ATOM 230 N LEU A 20 -4.873 1.954 -0.081 1.00 0.00 N ATOM 231 CA LEU A 20 -4.051 1.394 -1.140 1.00 0.00 C ATOM 232 C LEU A 20 -4.946 0.666 -2.144 1.00 0.00 C ATOM 233 O LEU A 20 -5.221 -0.522 -1.988 1.00 0.00 O ATOM 234 CB LEU A 20 -2.946 0.515 -0.551 1.00 0.00 C ATOM 235 CG LEU A 20 -1.579 1.182 -0.376 1.00 0.00 C ATOM 236 CD1 LEU A 20 -0.809 0.557 0.787 1.00 0.00 C ATOM 237 CD2 LEU A 20 -0.780 1.142 -1.680 1.00 0.00 C ATOM 0 H LEU A 20 -4.840 1.443 0.801 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.540 2.187 -1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.278 0.152 0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.823 -0.358 -1.192 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.740 2.231 -0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.158 1.049 0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.378 0.680 1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.657 -0.505 0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.187 1.622 -1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.627 0.106 -1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.329 1.670 -2.460 1.00 0.00 H new ATOM 248 N ARG A 21 -5.377 1.410 -3.152 1.00 0.00 N ATOM 249 CA ARG A 21 -6.236 0.850 -4.181 1.00 0.00 C ATOM 250 C ARG A 21 -5.412 0.015 -5.164 1.00 0.00 C ATOM 251 O ARG A 21 -4.198 0.186 -5.263 1.00 0.00 O ATOM 252 CB ARG A 21 -6.967 1.953 -4.949 1.00 0.00 C ATOM 253 CG ARG A 21 -8.392 2.135 -4.422 1.00 0.00 C ATOM 254 CD ARG A 21 -9.354 2.497 -5.556 1.00 0.00 C ATOM 255 NE ARG A 21 -10.750 2.246 -5.135 1.00 0.00 N ATOM 256 CZ ARG A 21 -11.490 3.112 -4.430 1.00 0.00 C ATOM 257 NH1 ARG A 21 -10.971 4.293 -4.062 1.00 0.00 N ATOM 258 NH2 ARG A 21 -12.748 2.800 -4.092 1.00 0.00 N ATOM 0 H ARG A 21 -5.147 2.396 -3.278 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.973 0.216 -3.688 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.419 2.890 -4.856 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.997 1.704 -6.010 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.724 1.217 -3.937 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.406 2.918 -3.664 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.230 3.545 -5.828 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.122 1.908 -6.443 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.176 1.357 -5.398 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.013 4.531 -4.319 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.534 4.953 -3.525 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.143 1.902 -4.371 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.311 3.460 -3.555 1.00 0.00 H new ATOM 269 N SER A 22 -6.105 -0.869 -5.866 1.00 0.00 N ATOM 270 CA SER A 22 -5.454 -1.731 -6.837 1.00 0.00 C ATOM 271 C SER A 22 -5.372 -1.025 -8.192 1.00 0.00 C ATOM 272 O SER A 22 -6.397 -0.736 -8.808 1.00 0.00 O ATOM 273 CB SER A 22 -6.194 -3.063 -6.976 1.00 0.00 C ATOM 274 OG SER A 22 -5.674 -3.854 -8.041 1.00 0.00 O ATOM 0 H SER A 22 -7.112 -1.007 -5.781 1.00 0.00 H new ATOM 0 HA SER A 22 -4.445 -1.943 -6.483 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.119 -3.619 -6.041 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.253 -2.873 -7.149 1.00 0.00 H new ATOM 0 HG SER A 22 -4.734 -3.623 -8.191 1.00 0.00 H new ATOM 279 N PRO A 23 -4.112 -0.760 -8.628 1.00 0.00 N ATOM 280 CA PRO A 23 -3.883 -0.094 -9.898 1.00 0.00 C ATOM 281 C PRO A 23 -4.125 -1.048 -11.070 1.00 0.00 C ATOM 282 O PRO A 23 -4.213 -0.617 -12.218 1.00 0.00 O ATOM 283 CB PRO A 23 -2.451 0.409 -9.827 1.00 0.00 C ATOM 284 CG PRO A 23 -1.783 -0.391 -8.721 1.00 0.00 C ATOM 285 CD PRO A 23 -2.874 -1.087 -7.925 1.00 0.00 C ATOM 0 HA PRO A 23 -4.573 0.733 -10.069 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.939 0.264 -10.778 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -2.422 1.477 -9.609 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.093 -1.122 -9.142 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.199 0.265 -8.075 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.712 -2.164 -7.889 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.899 -0.734 -6.894 1.00 0.00 H new ATOM 290 N SER A 24 -4.224 -2.327 -10.738 1.00 0.00 N ATOM 291 CA SER A 24 -4.454 -3.345 -11.748 1.00 0.00 C ATOM 292 C SER A 24 -4.901 -4.649 -11.084 1.00 0.00 C ATOM 293 O SER A 24 -4.586 -4.898 -9.921 1.00 0.00 O ATOM 294 CB SER A 24 -3.197 -3.582 -12.588 1.00 0.00 C ATOM 295 OG SER A 24 -3.475 -3.545 -13.986 1.00 0.00 O ATOM 0 H SER A 24 -4.149 -2.681 -9.784 1.00 0.00 H new ATOM 0 HA SER A 24 -5.243 -2.994 -12.414 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.451 -2.825 -12.346 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.765 -4.549 -12.330 1.00 0.00 H new ATOM 0 HG SER A 24 -2.648 -3.699 -14.488 1.00 0.00 H new ATOM 300 N ALA A 25 -5.627 -5.449 -11.852 1.00 0.00 N ATOM 301 CA ALA A 25 -6.120 -6.721 -11.352 1.00 0.00 C ATOM 302 C ALA A 25 -4.943 -7.680 -11.163 1.00 0.00 C ATOM 303 O ALA A 25 -3.945 -7.594 -11.877 1.00 0.00 O ATOM 304 CB ALA A 25 -7.173 -7.274 -12.314 1.00 0.00 C ATOM 0 H ALA A 25 -5.885 -5.241 -12.816 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.600 -6.592 -10.382 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.543 -8.228 -11.939 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.001 -6.569 -12.392 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.727 -7.419 -13.298 1.00 0.00 H new ATOM 310 N GLY A 26 -5.099 -8.573 -10.197 1.00 0.00 N ATOM 311 CA GLY A 26 -4.061 -9.548 -9.904 1.00 0.00 C ATOM 312 C GLY A 26 -4.531 -10.549 -8.847 1.00 0.00 C ATOM 313 O GLY A 26 -5.718 -10.863 -8.769 1.00 0.00 O ATOM 0 H GLY A 26 -5.928 -8.642 -9.607 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.788 -10.078 -10.816 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.165 -9.036 -9.552 1.00 0.00 H new ATOM 317 N LYS A 27 -3.576 -11.021 -8.060 1.00 0.00 N ATOM 318 CA LYS A 27 -3.878 -11.980 -7.010 1.00 0.00 C ATOM 319 C LYS A 27 -2.969 -11.717 -5.808 1.00 0.00 C ATOM 320 O LYS A 27 -1.774 -12.004 -5.854 1.00 0.00 O ATOM 321 CB LYS A 27 -3.788 -13.409 -7.548 1.00 0.00 C ATOM 322 CG LYS A 27 -5.160 -14.084 -7.543 1.00 0.00 C ATOM 323 CD LYS A 27 -5.324 -15.000 -8.759 1.00 0.00 C ATOM 324 CE LYS A 27 -6.314 -16.130 -8.464 1.00 0.00 C ATOM 325 NZ LYS A 27 -7.686 -15.730 -8.851 1.00 0.00 N ATOM 0 H LYS A 27 -2.593 -10.758 -8.128 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.905 -11.858 -6.666 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.389 -13.395 -8.562 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.092 -13.987 -6.940 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.281 -14.663 -6.628 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.943 -13.325 -7.546 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.674 -14.419 -9.612 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.357 -15.421 -9.035 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.023 -17.028 -9.009 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.287 -16.378 -7.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.345 -16.507 -8.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.966 -14.886 -8.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.711 -15.516 -9.868 1.00 0.00 H new ATOM 335 N LEU A 28 -3.570 -11.172 -4.759 1.00 0.00 N ATOM 336 CA LEU A 28 -2.830 -10.867 -3.548 1.00 0.00 C ATOM 337 C LEU A 28 -2.146 -12.138 -3.038 1.00 0.00 C ATOM 338 O LEU A 28 -2.759 -13.204 -3.001 1.00 0.00 O ATOM 339 CB LEU A 28 -3.743 -10.204 -2.514 1.00 0.00 C ATOM 340 CG LEU A 28 -3.041 -9.443 -1.388 1.00 0.00 C ATOM 341 CD1 LEU A 28 -2.074 -8.398 -1.951 1.00 0.00 C ATOM 342 CD2 LEU A 28 -4.057 -8.824 -0.426 1.00 0.00 C ATOM 0 H LEU A 28 -4.561 -10.934 -4.724 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.043 -10.142 -3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.406 -9.513 -3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.372 -10.974 -2.068 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.448 -10.155 -0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.588 -7.872 -1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.319 -8.893 -2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.625 -7.685 -2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.531 -8.289 0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.697 -8.129 -0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.668 -9.612 0.014 1.00 0.00 H new ATOM 353 N THR A 29 -0.886 -11.983 -2.660 1.00 0.00 N ATOM 354 CA THR A 29 -0.113 -13.105 -2.154 1.00 0.00 C ATOM 355 C THR A 29 0.254 -12.881 -0.686 1.00 0.00 C ATOM 356 O THR A 29 -0.200 -13.617 0.190 1.00 0.00 O ATOM 357 CB THR A 29 1.103 -13.288 -3.063 1.00 0.00 C ATOM 358 OG1 THR A 29 1.628 -11.971 -3.212 1.00 0.00 O ATOM 359 CG2 THR A 29 0.716 -13.696 -4.486 1.00 0.00 C ATOM 0 H THR A 29 -0.381 -11.098 -2.694 1.00 0.00 H new ATOM 0 HA THR A 29 -0.694 -14.027 -2.174 1.00 0.00 H new ATOM 0 HB THR A 29 1.763 -14.043 -2.636 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.421 -11.998 -3.787 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.617 -13.812 -5.089 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.173 -14.641 -4.459 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.082 -12.926 -4.926 1.00 0.00 H new ATOM 367 N GLN A 30 1.072 -11.863 -0.462 1.00 0.00 N ATOM 368 CA GLN A 30 1.505 -11.534 0.885 1.00 0.00 C ATOM 369 C GLN A 30 2.109 -10.128 0.920 1.00 0.00 C ATOM 370 O GLN A 30 2.104 -9.422 -0.087 1.00 0.00 O ATOM 371 CB GLN A 30 2.500 -12.571 1.411 1.00 0.00 C ATOM 372 CG GLN A 30 3.766 -12.600 0.553 1.00 0.00 C ATOM 373 CD GLN A 30 4.938 -13.205 1.326 1.00 0.00 C ATOM 374 OE1 GLN A 30 5.077 -13.039 2.527 1.00 0.00 O ATOM 375 NE2 GLN A 30 5.775 -13.916 0.574 1.00 0.00 N ATOM 0 H GLN A 30 1.446 -11.255 -1.191 1.00 0.00 H new ATOM 0 HA GLN A 30 0.633 -11.551 1.539 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.761 -12.339 2.443 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.036 -13.557 1.414 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.584 -13.181 -0.351 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.018 -11.588 0.236 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.602 -14.017 -0.426 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.589 -14.360 0.998 1.00 0.00 H new ATOM 382 N TYR A 31 2.614 -9.765 2.090 1.00 0.00 N ATOM 383 CA TYR A 31 3.221 -8.457 2.269 1.00 0.00 C ATOM 384 C TYR A 31 4.716 -8.582 2.569 1.00 0.00 C ATOM 385 O TYR A 31 5.246 -9.688 2.650 1.00 0.00 O ATOM 386 CB TYR A 31 2.521 -7.829 3.476 1.00 0.00 C ATOM 387 CG TYR A 31 2.244 -8.813 4.615 1.00 0.00 C ATOM 388 CD1 TYR A 31 3.294 -9.390 5.298 1.00 0.00 C ATOM 389 CD2 TYR A 31 0.944 -9.122 4.959 1.00 0.00 C ATOM 390 CE1 TYR A 31 3.034 -10.316 6.371 1.00 0.00 C ATOM 391 CE2 TYR A 31 0.683 -10.047 6.032 1.00 0.00 C ATOM 392 CZ TYR A 31 1.741 -10.599 6.685 1.00 0.00 C ATOM 393 OH TYR A 31 1.495 -11.473 7.697 1.00 0.00 O ATOM 0 H TYR A 31 2.615 -10.354 2.923 1.00 0.00 H new ATOM 0 HA TYR A 31 3.114 -7.858 1.365 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.136 -7.013 3.856 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.577 -7.392 3.149 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.311 -9.148 5.029 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.122 -8.670 4.424 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.847 -10.775 6.914 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.330 -10.297 6.312 1.00 0.00 H new ATOM 0 HH TYR A 31 0.527 -11.578 7.810 1.00 0.00 H new ATOM 402 N THR A 32 5.353 -7.431 2.727 1.00 0.00 N ATOM 403 CA THR A 32 6.776 -7.398 3.016 1.00 0.00 C ATOM 404 C THR A 32 7.052 -6.520 4.239 1.00 0.00 C ATOM 405 O THR A 32 8.207 -6.269 4.580 1.00 0.00 O ATOM 406 CB THR A 32 7.505 -6.929 1.755 1.00 0.00 C ATOM 407 OG1 THR A 32 6.759 -5.795 1.324 1.00 0.00 O ATOM 408 CG2 THR A 32 7.373 -7.922 0.599 1.00 0.00 C ATOM 0 H THR A 32 4.910 -6.515 2.660 1.00 0.00 H new ATOM 0 HA THR A 32 7.149 -8.389 3.275 1.00 0.00 H new ATOM 0 HB THR A 32 8.560 -6.774 1.982 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.370 -5.051 1.142 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.908 -7.541 -0.271 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.797 -8.882 0.894 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.320 -8.052 0.349 1.00 0.00 H new ATOM 416 N VAL A 33 5.971 -6.076 4.864 1.00 0.00 N ATOM 417 CA VAL A 33 6.081 -5.232 6.041 1.00 0.00 C ATOM 418 C VAL A 33 5.287 -5.857 7.189 1.00 0.00 C ATOM 419 O VAL A 33 4.387 -6.663 6.959 1.00 0.00 O ATOM 420 CB VAL A 33 5.630 -3.808 5.708 1.00 0.00 C ATOM 421 CG1 VAL A 33 6.176 -3.364 4.349 1.00 0.00 C ATOM 422 CG2 VAL A 33 4.106 -3.692 5.750 1.00 0.00 C ATOM 0 H VAL A 33 5.015 -6.285 4.577 1.00 0.00 H new ATOM 0 HA VAL A 33 7.120 -5.163 6.365 1.00 0.00 H new ATOM 0 HB VAL A 33 6.038 -3.141 6.468 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.841 -2.349 4.136 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.266 -3.390 4.369 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.811 -4.037 3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.812 -2.670 5.510 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.669 -4.376 5.023 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.749 -3.947 6.748 1.00 0.00 H new ATOM 432 N GLU A 34 5.649 -5.462 8.401 1.00 0.00 N ATOM 433 CA GLU A 34 4.980 -5.974 9.585 1.00 0.00 C ATOM 434 C GLU A 34 3.767 -5.107 9.927 1.00 0.00 C ATOM 435 O GLU A 34 3.488 -4.125 9.239 1.00 0.00 O ATOM 436 CB GLU A 34 5.947 -6.054 10.768 1.00 0.00 C ATOM 437 CG GLU A 34 6.649 -4.715 10.996 1.00 0.00 C ATOM 438 CD GLU A 34 6.502 -4.256 12.448 1.00 0.00 C ATOM 439 OE1 GLU A 34 7.281 -4.764 13.284 1.00 0.00 O ATOM 440 OE2 GLU A 34 5.614 -3.411 12.689 1.00 0.00 O ATOM 0 H GLU A 34 6.396 -4.794 8.588 1.00 0.00 H new ATOM 0 HA GLU A 34 4.631 -6.985 9.373 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.403 -6.341 11.668 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.689 -6.831 10.583 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.706 -4.808 10.746 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.229 -3.962 10.329 1.00 0.00 H new ATOM 445 N ASP A 35 3.078 -5.500 10.988 1.00 0.00 N ATOM 446 CA ASP A 35 1.901 -4.771 11.429 1.00 0.00 C ATOM 447 C ASP A 35 2.202 -3.271 11.417 1.00 0.00 C ATOM 448 O ASP A 35 3.169 -2.823 12.034 1.00 0.00 O ATOM 449 CB ASP A 35 1.512 -5.164 12.856 1.00 0.00 C ATOM 450 CG ASP A 35 2.200 -4.358 13.959 1.00 0.00 C ATOM 451 OD1 ASP A 35 1.831 -3.173 14.110 1.00 0.00 O ATOM 452 OD2 ASP A 35 3.079 -4.945 14.627 1.00 0.00 O ATOM 0 H ASP A 35 3.312 -6.314 11.556 1.00 0.00 H new ATOM 0 HA ASP A 35 1.081 -5.013 10.752 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.433 -5.054 12.966 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.741 -6.220 13.001 1.00 0.00 H new ATOM 456 N GLY A 36 1.357 -2.535 10.711 1.00 0.00 N ATOM 457 CA GLY A 36 1.520 -1.095 10.611 1.00 0.00 C ATOM 458 C GLY A 36 2.918 -0.735 10.103 1.00 0.00 C ATOM 459 O GLY A 36 3.511 0.245 10.550 1.00 0.00 O ATOM 0 H GLY A 36 0.556 -2.909 10.202 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.768 -0.686 9.936 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.355 -0.638 11.587 1.00 0.00 H new ATOM 463 N GLY A 37 3.404 -1.549 9.177 1.00 0.00 N ATOM 464 CA GLY A 37 4.721 -1.329 8.605 1.00 0.00 C ATOM 465 C GLY A 37 4.810 0.049 7.947 1.00 0.00 C ATOM 466 O GLY A 37 3.934 0.428 7.171 1.00 0.00 O ATOM 0 H GLY A 37 2.909 -2.362 8.809 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.478 -1.413 9.384 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.935 -2.103 7.867 1.00 0.00 H new ATOM 470 N HIS A 38 5.876 0.762 8.280 1.00 0.00 N ATOM 471 CA HIS A 38 6.091 2.089 7.732 1.00 0.00 C ATOM 472 C HIS A 38 7.137 2.021 6.616 1.00 0.00 C ATOM 473 O HIS A 38 8.229 1.491 6.816 1.00 0.00 O ATOM 474 CB HIS A 38 6.465 3.080 8.836 1.00 0.00 C ATOM 475 CG HIS A 38 6.838 4.452 8.329 1.00 0.00 C ATOM 476 ND1 HIS A 38 7.856 4.663 7.415 1.00 0.00 N ATOM 477 CD2 HIS A 38 6.320 5.681 8.619 1.00 0.00 C ATOM 478 CE1 HIS A 38 7.938 5.963 7.172 1.00 0.00 C ATOM 479 NE2 HIS A 38 6.985 6.591 7.919 1.00 0.00 N ATOM 0 H HIS A 38 6.601 0.444 8.924 1.00 0.00 H new ATOM 0 HA HIS A 38 5.165 2.458 7.292 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.626 3.174 9.525 1.00 0.00 H new ATOM 0 HB3 HIS A 38 7.301 2.675 9.406 1.00 0.00 H new ATOM 0 HD2 HIS A 38 5.507 5.879 9.302 1.00 0.00 H new ATOM 0 HE1 HIS A 38 8.636 6.441 6.501 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.812 7.596 7.937 1.00 0.00 H new ATOM 486 N VAL A 39 6.766 2.566 5.467 1.00 0.00 N ATOM 487 CA VAL A 39 7.658 2.574 4.320 1.00 0.00 C ATOM 488 C VAL A 39 7.670 3.971 3.699 1.00 0.00 C ATOM 489 O VAL A 39 7.017 4.884 4.202 1.00 0.00 O ATOM 490 CB VAL A 39 7.247 1.482 3.330 1.00 0.00 C ATOM 491 CG1 VAL A 39 7.417 0.091 3.946 1.00 0.00 C ATOM 492 CG2 VAL A 39 5.813 1.695 2.844 1.00 0.00 C ATOM 0 H VAL A 39 5.860 3.005 5.306 1.00 0.00 H new ATOM 0 HA VAL A 39 8.679 2.347 4.628 1.00 0.00 H new ATOM 0 HB VAL A 39 7.907 1.548 2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.118 -0.667 3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.461 -0.061 4.220 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.793 0.008 4.836 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.546 0.905 2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.133 1.669 3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.737 2.663 2.348 1.00 0.00 H new ATOM 502 N GLU A 40 8.420 4.095 2.612 1.00 0.00 N ATOM 503 CA GLU A 40 8.525 5.366 1.917 1.00 0.00 C ATOM 504 C GLU A 40 7.834 5.283 0.554 1.00 0.00 C ATOM 505 O GLU A 40 7.700 4.201 -0.014 1.00 0.00 O ATOM 506 CB GLU A 40 9.988 5.788 1.766 1.00 0.00 C ATOM 507 CG GLU A 40 10.554 6.287 3.096 1.00 0.00 C ATOM 508 CD GLU A 40 11.729 7.242 2.869 1.00 0.00 C ATOM 509 OE1 GLU A 40 11.472 8.336 2.323 1.00 0.00 O ATOM 510 OE2 GLU A 40 12.856 6.854 3.245 1.00 0.00 O ATOM 0 H GLU A 40 8.960 3.336 2.197 1.00 0.00 H new ATOM 0 HA GLU A 40 8.021 6.128 2.512 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.579 4.944 1.409 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.068 6.574 1.015 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.772 6.795 3.660 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.881 5.439 3.697 1.00 0.00 H new ATOM 515 N ALA A 41 7.413 6.442 0.069 1.00 0.00 N ATOM 516 CA ALA A 41 6.739 6.515 -1.216 1.00 0.00 C ATOM 517 C ALA A 41 7.654 5.940 -2.300 1.00 0.00 C ATOM 518 O ALA A 41 8.635 6.570 -2.688 1.00 0.00 O ATOM 519 CB ALA A 41 6.338 7.964 -1.502 1.00 0.00 C ATOM 0 H ALA A 41 7.526 7.338 0.543 1.00 0.00 H new ATOM 0 HA ALA A 41 5.826 5.920 -1.204 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.832 8.018 -2.466 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.666 8.317 -0.720 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.230 8.591 -1.524 1.00 0.00 H new ATOM 525 N GLY A 42 7.298 4.748 -2.758 1.00 0.00 N ATOM 526 CA GLY A 42 8.075 4.080 -3.788 1.00 0.00 C ATOM 527 C GLY A 42 8.475 2.671 -3.347 1.00 0.00 C ATOM 528 O GLY A 42 8.587 1.766 -4.173 1.00 0.00 O ATOM 0 H GLY A 42 6.482 4.228 -2.435 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.494 4.025 -4.709 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.969 4.663 -4.009 1.00 0.00 H new ATOM 532 N SER A 43 8.680 2.530 -2.046 1.00 0.00 N ATOM 533 CA SER A 43 9.066 1.246 -1.485 1.00 0.00 C ATOM 534 C SER A 43 7.967 0.213 -1.737 1.00 0.00 C ATOM 535 O SER A 43 6.855 0.566 -2.129 1.00 0.00 O ATOM 536 CB SER A 43 9.352 1.364 0.014 1.00 0.00 C ATOM 537 OG SER A 43 9.703 2.692 0.389 1.00 0.00 O ATOM 0 H SER A 43 8.586 3.283 -1.364 1.00 0.00 H new ATOM 0 HA SER A 43 9.982 0.919 -1.977 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.473 1.049 0.576 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.162 0.686 0.283 1.00 0.00 H new ATOM 0 HG SER A 43 8.934 3.284 0.252 1.00 0.00 H new ATOM 542 N SER A 44 8.314 -1.044 -1.501 1.00 0.00 N ATOM 543 CA SER A 44 7.370 -2.131 -1.697 1.00 0.00 C ATOM 544 C SER A 44 6.902 -2.668 -0.343 1.00 0.00 C ATOM 545 O SER A 44 7.718 -2.938 0.537 1.00 0.00 O ATOM 546 CB SER A 44 7.990 -3.255 -2.529 1.00 0.00 C ATOM 547 OG SER A 44 9.281 -3.623 -2.051 1.00 0.00 O ATOM 0 H SER A 44 9.236 -1.334 -1.176 1.00 0.00 H new ATOM 0 HA SER A 44 6.510 -1.743 -2.243 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.334 -4.125 -2.509 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.065 -2.937 -3.569 1.00 0.00 H new ATOM 0 HG SER A 44 9.642 -4.344 -2.607 1.00 0.00 H new ATOM 552 N TYR A 45 5.590 -2.808 -0.220 1.00 0.00 N ATOM 553 CA TYR A 45 5.004 -3.309 1.012 1.00 0.00 C ATOM 554 C TYR A 45 4.328 -4.663 0.787 1.00 0.00 C ATOM 555 O TYR A 45 4.133 -5.428 1.730 1.00 0.00 O ATOM 556 CB TYR A 45 3.943 -2.285 1.420 1.00 0.00 C ATOM 557 CG TYR A 45 2.616 -2.432 0.674 1.00 0.00 C ATOM 558 CD1 TYR A 45 1.764 -3.473 0.980 1.00 0.00 C ATOM 559 CD2 TYR A 45 2.271 -1.524 -0.307 1.00 0.00 C ATOM 560 CE1 TYR A 45 0.514 -3.610 0.277 1.00 0.00 C ATOM 561 CE2 TYR A 45 1.022 -1.662 -1.010 1.00 0.00 C ATOM 562 CZ TYR A 45 0.205 -2.699 -0.684 1.00 0.00 C ATOM 563 OH TYR A 45 -0.974 -2.829 -1.347 1.00 0.00 O ATOM 0 H TYR A 45 4.917 -2.583 -0.953 1.00 0.00 H new ATOM 0 HA TYR A 45 5.771 -3.444 1.775 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.758 -2.376 2.490 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.335 -1.283 1.248 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.034 -4.185 1.746 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.938 -0.710 -0.547 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.163 -4.419 0.508 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.740 -0.958 -1.779 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.061 -2.107 -2.004 1.00 0.00 H new ATOM 572 N ALA A 46 3.989 -4.918 -0.469 1.00 0.00 N ATOM 573 CA ALA A 46 3.340 -6.166 -0.830 1.00 0.00 C ATOM 574 C ALA A 46 3.532 -6.422 -2.325 1.00 0.00 C ATOM 575 O ALA A 46 4.183 -5.637 -3.014 1.00 0.00 O ATOM 576 CB ALA A 46 1.864 -6.107 -0.434 1.00 0.00 C ATOM 0 H ALA A 46 4.152 -4.281 -1.249 1.00 0.00 H new ATOM 0 HA ALA A 46 3.789 -7.001 -0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.377 -7.044 -0.705 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.782 -5.953 0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.380 -5.282 -0.956 1.00 0.00 H new ATOM 582 N GLU A 47 2.955 -7.524 -2.784 1.00 0.00 N ATOM 583 CA GLU A 47 3.055 -7.893 -4.186 1.00 0.00 C ATOM 584 C GLU A 47 1.710 -8.417 -4.694 1.00 0.00 C ATOM 585 O GLU A 47 0.734 -8.459 -3.946 1.00 0.00 O ATOM 586 CB GLU A 47 4.164 -8.925 -4.403 1.00 0.00 C ATOM 587 CG GLU A 47 5.428 -8.544 -3.629 1.00 0.00 C ATOM 588 CD GLU A 47 5.469 -9.243 -2.269 1.00 0.00 C ATOM 589 OE1 GLU A 47 4.387 -9.353 -1.654 1.00 0.00 O ATOM 590 OE2 GLU A 47 6.582 -9.653 -1.875 1.00 0.00 O ATOM 0 H GLU A 47 2.417 -8.173 -2.210 1.00 0.00 H new ATOM 0 HA GLU A 47 3.315 -7.003 -4.759 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.819 -9.908 -4.081 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.393 -9.000 -5.466 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.310 -8.817 -4.209 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.461 -7.464 -3.488 1.00 0.00 H new ATOM 595 N MET A 48 1.702 -8.802 -5.961 1.00 0.00 N ATOM 596 CA MET A 48 0.494 -9.321 -6.578 1.00 0.00 C ATOM 597 C MET A 48 0.824 -10.138 -7.830 1.00 0.00 C ATOM 598 O MET A 48 1.836 -9.894 -8.485 1.00 0.00 O ATOM 599 CB MET A 48 -0.428 -8.159 -6.955 1.00 0.00 C ATOM 600 CG MET A 48 0.296 -7.154 -7.854 1.00 0.00 C ATOM 601 SD MET A 48 -0.639 -5.637 -7.950 1.00 0.00 S ATOM 602 CE MET A 48 -2.212 -6.277 -8.503 1.00 0.00 C ATOM 0 H MET A 48 2.514 -8.765 -6.578 1.00 0.00 H new ATOM 0 HA MET A 48 -0.004 -9.974 -5.862 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.310 -8.542 -7.468 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.777 -7.659 -6.051 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.292 -6.953 -7.460 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.427 -7.574 -8.851 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.817 -5.462 -8.901 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.048 -7.022 -9.282 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.733 -6.738 -7.664 1.00 0.00 H new ATOM 610 N GLU A 49 -0.050 -11.089 -8.124 1.00 0.00 N ATOM 611 CA GLU A 49 0.136 -11.943 -9.286 1.00 0.00 C ATOM 612 C GLU A 49 -0.932 -11.645 -10.340 1.00 0.00 C ATOM 613 O GLU A 49 -2.116 -11.893 -10.116 1.00 0.00 O ATOM 614 CB GLU A 49 0.118 -13.420 -8.889 1.00 0.00 C ATOM 615 CG GLU A 49 0.467 -14.312 -10.082 1.00 0.00 C ATOM 616 CD GLU A 49 0.925 -15.695 -9.616 1.00 0.00 C ATOM 617 OE1 GLU A 49 0.243 -16.250 -8.728 1.00 0.00 O ATOM 618 OE2 GLU A 49 1.948 -16.167 -10.159 1.00 0.00 O ATOM 0 H GLU A 49 -0.889 -11.287 -7.578 1.00 0.00 H new ATOM 0 HA GLU A 49 1.114 -11.729 -9.718 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.829 -13.592 -8.081 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.868 -13.686 -8.508 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.402 -14.413 -10.732 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.254 -13.844 -10.673 1.00 0.00 H new ATOM 623 N VAL A 50 -0.475 -11.116 -11.465 1.00 0.00 N ATOM 624 CA VAL A 50 -1.378 -10.781 -12.554 1.00 0.00 C ATOM 625 C VAL A 50 -0.797 -11.302 -13.870 1.00 0.00 C ATOM 626 O VAL A 50 0.420 -11.323 -14.051 1.00 0.00 O ATOM 627 CB VAL A 50 -1.640 -9.274 -12.572 1.00 0.00 C ATOM 628 CG1 VAL A 50 -0.328 -8.488 -12.525 1.00 0.00 C ATOM 629 CG2 VAL A 50 -2.473 -8.877 -13.792 1.00 0.00 C ATOM 0 H VAL A 50 0.508 -10.911 -11.647 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.345 -11.264 -12.411 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.213 -9.023 -11.679 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.543 -7.420 -12.539 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.213 -8.737 -11.612 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.282 -8.746 -13.390 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.645 -7.801 -13.781 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.938 -9.149 -14.702 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.430 -9.398 -13.764 1.00 0.00 H new ATOM 639 N MET A 51 -1.694 -11.710 -14.755 1.00 0.00 N ATOM 640 CA MET A 51 -1.285 -12.230 -16.050 1.00 0.00 C ATOM 641 C MET A 51 -0.290 -13.381 -15.889 1.00 0.00 C ATOM 642 O MET A 51 0.570 -13.586 -16.744 1.00 0.00 O ATOM 643 CB MET A 51 -0.643 -11.110 -16.871 1.00 0.00 C ATOM 644 CG MET A 51 -1.707 -10.274 -17.585 1.00 0.00 C ATOM 645 SD MET A 51 -1.855 -10.797 -19.285 1.00 0.00 S ATOM 646 CE MET A 51 -3.357 -11.757 -19.184 1.00 0.00 C ATOM 0 H MET A 51 -2.702 -11.691 -14.602 1.00 0.00 H new ATOM 0 HA MET A 51 -2.169 -12.608 -16.564 1.00 0.00 H new ATOM 0 HB2 MET A 51 -0.050 -10.470 -16.218 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.041 -11.538 -17.604 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.666 -10.381 -17.078 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.440 -9.218 -17.543 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.723 -11.967 -20.189 1.00 0.00 H new ATOM 0 HE2 MET A 51 -3.155 -12.696 -18.668 1.00 0.00 H new ATOM 0 HE3 MET A 51 -4.111 -11.195 -18.633 1.00 0.00 H new ATOM 654 N LYS A 52 -0.441 -14.101 -14.787 1.00 0.00 N ATOM 655 CA LYS A 52 0.435 -15.226 -14.503 1.00 0.00 C ATOM 656 C LYS A 52 1.826 -14.705 -14.140 1.00 0.00 C ATOM 657 O LYS A 52 2.783 -15.476 -14.070 1.00 0.00 O ATOM 658 CB LYS A 52 0.433 -16.214 -15.672 1.00 0.00 C ATOM 659 CG LYS A 52 -0.285 -17.510 -15.292 1.00 0.00 C ATOM 660 CD LYS A 52 -0.018 -18.607 -16.326 1.00 0.00 C ATOM 661 CE LYS A 52 0.201 -19.960 -15.644 1.00 0.00 C ATOM 662 NZ LYS A 52 -0.702 -20.982 -16.220 1.00 0.00 N ATOM 0 H LYS A 52 -1.156 -13.928 -14.081 1.00 0.00 H new ATOM 0 HA LYS A 52 0.070 -15.786 -13.642 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.057 -15.762 -16.534 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.459 -16.435 -15.968 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.051 -17.842 -14.309 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.357 -17.328 -15.218 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.860 -18.675 -17.015 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.859 -18.348 -16.919 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.238 -20.272 -15.766 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.020 -19.868 -14.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.541 -21.894 -15.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.690 -20.690 -16.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.510 -21.081 -17.237 1.00 0.00 H new ATOM 672 N MET A 53 1.895 -13.401 -13.919 1.00 0.00 N ATOM 673 CA MET A 53 3.155 -12.767 -13.564 1.00 0.00 C ATOM 674 C MET A 53 3.083 -12.149 -12.167 1.00 0.00 C ATOM 675 O MET A 53 2.004 -11.794 -11.695 1.00 0.00 O ATOM 676 CB MET A 53 3.485 -11.679 -14.587 1.00 0.00 C ATOM 677 CG MET A 53 3.712 -12.282 -15.975 1.00 0.00 C ATOM 678 SD MET A 53 4.657 -11.152 -16.985 1.00 0.00 S ATOM 679 CE MET A 53 5.002 -12.203 -18.385 1.00 0.00 C ATOM 0 H MET A 53 1.100 -12.765 -13.979 1.00 0.00 H new ATOM 0 HA MET A 53 3.936 -13.528 -13.565 1.00 0.00 H new ATOM 0 HB2 MET A 53 2.671 -10.956 -14.630 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.377 -11.137 -14.272 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.240 -13.232 -15.886 1.00 0.00 H new ATOM 0 HG3 MET A 53 2.754 -12.493 -16.450 1.00 0.00 H new ATOM 0 HE1 MET A 53 5.589 -11.651 -19.119 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.563 -13.077 -18.054 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.064 -12.524 -18.839 1.00 0.00 H new ATOM 687 N ILE A 54 4.247 -12.040 -11.542 1.00 0.00 N ATOM 688 CA ILE A 54 4.330 -11.471 -10.208 1.00 0.00 C ATOM 689 C ILE A 54 4.727 -9.996 -10.311 1.00 0.00 C ATOM 690 O ILE A 54 5.663 -9.650 -11.029 1.00 0.00 O ATOM 691 CB ILE A 54 5.269 -12.299 -9.330 1.00 0.00 C ATOM 692 CG1 ILE A 54 4.874 -13.778 -9.347 1.00 0.00 C ATOM 693 CG2 ILE A 54 5.327 -11.739 -7.908 1.00 0.00 C ATOM 694 CD1 ILE A 54 3.535 -13.996 -8.640 1.00 0.00 C ATOM 0 H ILE A 54 5.140 -12.336 -11.935 1.00 0.00 H new ATOM 0 HA ILE A 54 3.357 -11.507 -9.718 1.00 0.00 H new ATOM 0 HB ILE A 54 6.274 -12.229 -9.745 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.807 -14.128 -10.377 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.648 -14.370 -8.859 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.002 -12.347 -7.305 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.691 -10.712 -7.936 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.330 -11.759 -7.468 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.278 -15.055 -8.666 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.613 -13.667 -7.604 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.759 -13.421 -9.146 1.00 0.00 H new ATOM 705 N MET A 55 3.993 -9.167 -9.583 1.00 0.00 N ATOM 706 CA MET A 55 4.256 -7.738 -9.583 1.00 0.00 C ATOM 707 C MET A 55 4.345 -7.197 -8.155 1.00 0.00 C ATOM 708 O MET A 55 3.567 -7.591 -7.288 1.00 0.00 O ATOM 709 CB MET A 55 3.137 -7.013 -10.335 1.00 0.00 C ATOM 710 CG MET A 55 3.141 -7.390 -11.818 1.00 0.00 C ATOM 711 SD MET A 55 2.066 -6.292 -12.728 1.00 0.00 S ATOM 712 CE MET A 55 2.744 -6.487 -14.369 1.00 0.00 C ATOM 0 H MET A 55 3.216 -9.458 -8.989 1.00 0.00 H new ATOM 0 HA MET A 55 5.211 -7.563 -10.078 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.173 -7.267 -9.894 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.262 -5.935 -10.229 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.155 -7.331 -12.214 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.810 -8.421 -11.941 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.186 -5.866 -15.069 1.00 0.00 H new ATOM 0 HE2 MET A 55 3.791 -6.183 -14.369 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.670 -7.532 -14.672 1.00 0.00 H new ATOM 720 N THR A 56 5.301 -6.302 -7.954 1.00 0.00 N ATOM 721 CA THR A 56 5.502 -5.703 -6.646 1.00 0.00 C ATOM 722 C THR A 56 4.524 -4.546 -6.433 1.00 0.00 C ATOM 723 O THR A 56 4.189 -3.830 -7.376 1.00 0.00 O ATOM 724 CB THR A 56 6.970 -5.285 -6.538 1.00 0.00 C ATOM 725 OG1 THR A 56 7.663 -6.239 -7.339 1.00 0.00 O ATOM 726 CG2 THR A 56 7.537 -5.497 -5.132 1.00 0.00 C ATOM 0 H THR A 56 5.945 -5.977 -8.675 1.00 0.00 H new ATOM 0 HA THR A 56 5.292 -6.416 -5.848 1.00 0.00 H new ATOM 0 HB THR A 56 7.070 -4.236 -6.816 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.623 -6.041 -7.326 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.581 -5.185 -5.110 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.966 -4.905 -4.416 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.468 -6.552 -4.867 1.00 0.00 H new ATOM 734 N LEU A 57 4.094 -4.398 -5.188 1.00 0.00 N ATOM 735 CA LEU A 57 3.160 -3.340 -4.840 1.00 0.00 C ATOM 736 C LEU A 57 3.869 -2.313 -3.954 1.00 0.00 C ATOM 737 O LEU A 57 4.401 -2.659 -2.901 1.00 0.00 O ATOM 738 CB LEU A 57 1.895 -3.927 -4.211 1.00 0.00 C ATOM 739 CG LEU A 57 0.717 -4.152 -5.160 1.00 0.00 C ATOM 740 CD1 LEU A 57 -0.217 -5.241 -4.626 1.00 0.00 C ATOM 741 CD2 LEU A 57 -0.026 -2.842 -5.431 1.00 0.00 C ATOM 0 H LEU A 57 4.375 -4.993 -4.408 1.00 0.00 H new ATOM 0 HA LEU A 57 2.827 -2.815 -5.735 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.151 -4.881 -3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.569 -3.263 -3.410 1.00 0.00 H new ATOM 0 HG LEU A 57 1.109 -4.504 -6.114 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.046 -5.381 -5.319 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.334 -6.176 -4.526 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.605 -4.942 -3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.859 -3.030 -6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.406 -2.438 -4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.657 -2.124 -5.885 1.00 0.00 H new ATOM 752 N ASN A 58 3.852 -1.070 -4.415 1.00 0.00 N ATOM 753 CA ASN A 58 4.485 0.009 -3.677 1.00 0.00 C ATOM 754 C ASN A 58 3.406 0.906 -3.067 1.00 0.00 C ATOM 755 O ASN A 58 2.231 0.790 -3.410 1.00 0.00 O ATOM 756 CB ASN A 58 5.352 0.871 -4.598 1.00 0.00 C ATOM 757 CG ASN A 58 6.539 0.073 -5.139 1.00 0.00 C ATOM 758 OD1 ASN A 58 7.046 -0.841 -4.508 1.00 0.00 O ATOM 759 ND2 ASN A 58 6.952 0.465 -6.341 1.00 0.00 N ATOM 0 H ASN A 58 3.410 -0.787 -5.290 1.00 0.00 H new ATOM 0 HA ASN A 58 5.111 -0.434 -2.902 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.750 1.242 -5.428 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.714 1.742 -4.052 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.737 -0.007 -6.789 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.483 1.237 -6.815 1.00 0.00 H new ATOM 765 N VAL A 59 3.845 1.781 -2.172 1.00 0.00 N ATOM 766 CA VAL A 59 2.931 2.696 -1.512 1.00 0.00 C ATOM 767 C VAL A 59 2.870 4.006 -2.300 1.00 0.00 C ATOM 768 O VAL A 59 3.904 4.576 -2.645 1.00 0.00 O ATOM 769 CB VAL A 59 3.352 2.895 -0.054 1.00 0.00 C ATOM 770 CG1 VAL A 59 3.464 1.552 0.672 1.00 0.00 C ATOM 771 CG2 VAL A 59 4.664 3.677 0.036 1.00 0.00 C ATOM 0 H VAL A 59 4.821 1.874 -1.890 1.00 0.00 H new ATOM 0 HA VAL A 59 1.923 2.281 -1.492 1.00 0.00 H new ATOM 0 HB VAL A 59 2.578 3.481 0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.765 1.721 1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.499 1.046 0.653 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.209 0.931 0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.941 3.805 1.083 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.450 3.129 -0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.537 4.655 -0.427 1.00 0.00 H new ATOM 781 N GLN A 60 1.648 4.445 -2.562 1.00 0.00 N ATOM 782 CA GLN A 60 1.438 5.678 -3.304 1.00 0.00 C ATOM 783 C GLN A 60 2.082 6.855 -2.569 1.00 0.00 C ATOM 784 O GLN A 60 2.548 7.804 -3.198 1.00 0.00 O ATOM 785 CB GLN A 60 -0.053 5.927 -3.541 1.00 0.00 C ATOM 786 CG GLN A 60 -0.394 5.834 -5.029 1.00 0.00 C ATOM 787 CD GLN A 60 0.074 7.084 -5.778 1.00 0.00 C ATOM 788 OE1 GLN A 60 -0.431 8.179 -5.588 1.00 0.00 O ATOM 789 NE2 GLN A 60 1.064 6.862 -6.638 1.00 0.00 N ATOM 0 H GLN A 60 0.793 3.970 -2.274 1.00 0.00 H new ATOM 0 HA GLN A 60 1.915 5.580 -4.279 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.640 5.198 -2.983 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.326 6.912 -3.163 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.077 4.950 -5.459 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.470 5.713 -5.152 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.442 5.921 -6.749 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.446 7.633 -7.186 1.00 0.00 H new ATOM 796 N GLU A 61 2.086 6.755 -1.247 1.00 0.00 N ATOM 797 CA GLU A 61 2.665 7.801 -0.420 1.00 0.00 C ATOM 798 C GLU A 61 3.061 7.238 0.946 1.00 0.00 C ATOM 799 O GLU A 61 2.283 6.525 1.578 1.00 0.00 O ATOM 800 CB GLU A 61 1.700 8.977 -0.269 1.00 0.00 C ATOM 801 CG GLU A 61 1.308 9.544 -1.634 1.00 0.00 C ATOM 802 CD GLU A 61 0.480 10.821 -1.481 1.00 0.00 C ATOM 803 OE1 GLU A 61 0.930 11.702 -0.716 1.00 0.00 O ATOM 804 OE2 GLU A 61 -0.585 10.890 -2.133 1.00 0.00 O ATOM 0 H GLU A 61 1.698 5.967 -0.729 1.00 0.00 H new ATOM 0 HA GLU A 61 3.563 8.172 -0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.806 8.652 0.264 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.164 9.758 0.333 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.206 9.756 -2.215 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.737 8.801 -2.190 1.00 0.00 H new ATOM 809 N ARG A 62 4.272 7.580 1.363 1.00 0.00 N ATOM 810 CA ARG A 62 4.782 7.117 2.642 1.00 0.00 C ATOM 811 C ARG A 62 3.654 7.066 3.675 1.00 0.00 C ATOM 812 O ARG A 62 2.688 7.821 3.583 1.00 0.00 O ATOM 813 CB ARG A 62 5.894 8.033 3.157 1.00 0.00 C ATOM 814 CG ARG A 62 5.312 9.298 3.792 1.00 0.00 C ATOM 815 CD ARG A 62 6.423 10.202 4.331 1.00 0.00 C ATOM 816 NE ARG A 62 6.667 9.906 5.761 1.00 0.00 N ATOM 817 CZ ARG A 62 7.767 10.282 6.427 1.00 0.00 C ATOM 818 NH1 ARG A 62 8.730 10.971 5.799 1.00 0.00 N ATOM 819 NH2 ARG A 62 7.903 9.969 7.723 1.00 0.00 N ATOM 0 H ARG A 62 4.914 8.172 0.837 1.00 0.00 H new ATOM 0 HA ARG A 62 5.191 6.117 2.494 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.499 7.499 3.890 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.555 8.306 2.335 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.722 9.841 3.054 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.636 9.025 4.602 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.338 10.049 3.758 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.143 11.248 4.210 1.00 0.00 H new ATOM 0 HE ARG A 62 5.954 9.384 6.270 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.626 11.210 4.813 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.567 11.257 6.307 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.170 9.445 8.201 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.740 10.254 8.232 1.00 0.00 H new ATOM 830 N GLY A 63 3.814 6.167 4.635 1.00 0.00 N ATOM 831 CA GLY A 63 2.822 6.008 5.685 1.00 0.00 C ATOM 832 C GLY A 63 3.003 4.674 6.413 1.00 0.00 C ATOM 833 O GLY A 63 4.128 4.264 6.692 1.00 0.00 O ATOM 0 H GLY A 63 4.616 5.541 4.708 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.906 6.829 6.397 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.821 6.059 5.256 1.00 0.00 H new ATOM 837 N ARG A 64 1.878 4.035 6.698 1.00 0.00 N ATOM 838 CA ARG A 64 1.898 2.757 7.389 1.00 0.00 C ATOM 839 C ARG A 64 0.909 1.787 6.739 1.00 0.00 C ATOM 840 O ARG A 64 -0.288 2.063 6.681 1.00 0.00 O ATOM 841 CB ARG A 64 1.543 2.923 8.868 1.00 0.00 C ATOM 842 CG ARG A 64 2.745 3.429 9.667 1.00 0.00 C ATOM 843 CD ARG A 64 2.340 3.790 11.098 1.00 0.00 C ATOM 844 NE ARG A 64 2.922 5.096 11.475 1.00 0.00 N ATOM 845 CZ ARG A 64 3.075 5.514 12.739 1.00 0.00 C ATOM 846 NH1 ARG A 64 2.690 4.730 13.755 1.00 0.00 N ATOM 847 NH2 ARG A 64 3.613 6.716 12.987 1.00 0.00 N ATOM 0 H ARG A 64 0.947 4.378 6.463 1.00 0.00 H new ATOM 0 HA ARG A 64 2.909 2.356 7.314 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.713 3.623 8.970 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.207 1.969 9.274 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.521 2.664 9.687 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.172 4.303 9.175 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.254 3.830 11.178 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.682 3.018 11.787 1.00 0.00 H new ATOM 0 HE ARG A 64 3.226 5.718 10.726 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.281 3.815 13.566 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.806 5.048 14.717 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.906 7.313 12.214 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.729 7.034 13.949 1.00 0.00 H new ATOM 858 N VAL A 65 1.446 0.672 6.267 1.00 0.00 N ATOM 859 CA VAL A 65 0.626 -0.341 5.624 1.00 0.00 C ATOM 860 C VAL A 65 0.003 -1.241 6.693 1.00 0.00 C ATOM 861 O VAL A 65 0.611 -1.488 7.734 1.00 0.00 O ATOM 862 CB VAL A 65 1.457 -1.116 4.600 1.00 0.00 C ATOM 863 CG1 VAL A 65 0.604 -2.161 3.879 1.00 0.00 C ATOM 864 CG2 VAL A 65 2.120 -0.166 3.602 1.00 0.00 C ATOM 0 H VAL A 65 2.440 0.447 6.317 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.192 0.124 5.073 1.00 0.00 H new ATOM 0 HB VAL A 65 2.246 -1.642 5.138 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.219 -2.697 3.157 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.200 -2.866 4.606 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.216 -1.666 3.360 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.705 -0.742 2.885 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.353 0.400 3.073 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.776 0.522 4.135 1.00 0.00 H new ATOM 874 N LYS A 66 -1.202 -1.707 6.400 1.00 0.00 N ATOM 875 CA LYS A 66 -1.914 -2.574 7.324 1.00 0.00 C ATOM 876 C LYS A 66 -2.596 -3.698 6.539 1.00 0.00 C ATOM 877 O LYS A 66 -2.775 -3.592 5.326 1.00 0.00 O ATOM 878 CB LYS A 66 -2.875 -1.760 8.192 1.00 0.00 C ATOM 879 CG LYS A 66 -3.143 -2.465 9.523 1.00 0.00 C ATOM 880 CD LYS A 66 -2.820 -1.548 10.704 1.00 0.00 C ATOM 881 CE LYS A 66 -3.929 -1.599 11.757 1.00 0.00 C ATOM 882 NZ LYS A 66 -3.821 -0.448 12.681 1.00 0.00 N ATOM 0 H LYS A 66 -1.703 -1.501 5.536 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.217 -3.045 8.017 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.454 -0.772 8.378 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.814 -1.611 7.660 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.188 -2.772 9.572 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.541 -3.371 9.586 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.873 -1.847 11.153 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.696 -0.524 10.351 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.903 -1.590 11.268 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.863 -2.531 12.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.581 -0.499 13.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.899 -0.473 13.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.907 0.438 12.143 1.00 0.00 H new ATOM 892 N TYR A 67 -2.958 -4.746 7.262 1.00 0.00 N ATOM 893 CA TYR A 67 -3.616 -5.888 6.649 1.00 0.00 C ATOM 894 C TYR A 67 -5.130 -5.675 6.580 1.00 0.00 C ATOM 895 O TYR A 67 -5.795 -5.585 7.611 1.00 0.00 O ATOM 896 CB TYR A 67 -3.322 -7.082 7.557 1.00 0.00 C ATOM 897 CG TYR A 67 -4.463 -8.098 7.640 1.00 0.00 C ATOM 898 CD1 TYR A 67 -5.007 -8.621 6.484 1.00 0.00 C ATOM 899 CD2 TYR A 67 -4.950 -8.489 8.871 1.00 0.00 C ATOM 900 CE1 TYR A 67 -6.082 -9.576 6.563 1.00 0.00 C ATOM 901 CE2 TYR A 67 -6.026 -9.444 8.949 1.00 0.00 C ATOM 902 CZ TYR A 67 -6.538 -9.940 7.791 1.00 0.00 C ATOM 903 OH TYR A 67 -7.553 -10.843 7.865 1.00 0.00 O ATOM 0 H TYR A 67 -2.808 -4.829 8.268 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.255 -6.039 5.632 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.426 -7.587 7.197 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.101 -6.717 8.560 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.627 -8.314 5.521 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.525 -8.079 9.775 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.516 -9.994 5.667 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.417 -9.759 9.905 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.775 -11.010 8.805 1.00 0.00 H new ATOM 912 N ILE A 68 -5.630 -5.602 5.356 1.00 0.00 N ATOM 913 CA ILE A 68 -7.053 -5.403 5.139 1.00 0.00 C ATOM 914 C ILE A 68 -7.649 -6.661 4.505 1.00 0.00 C ATOM 915 O ILE A 68 -8.424 -7.373 5.142 1.00 0.00 O ATOM 916 CB ILE A 68 -7.298 -4.130 4.325 1.00 0.00 C ATOM 917 CG1 ILE A 68 -6.729 -2.903 5.043 1.00 0.00 C ATOM 918 CG2 ILE A 68 -8.783 -3.965 3.998 1.00 0.00 C ATOM 919 CD1 ILE A 68 -7.066 -2.936 6.536 1.00 0.00 C ATOM 0 H ILE A 68 -5.075 -5.677 4.503 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.565 -5.251 6.089 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.769 -4.223 3.377 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.648 -2.869 4.911 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.133 -1.995 4.595 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.929 -3.053 3.419 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.125 -4.822 3.417 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.355 -3.903 4.924 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.650 -2.054 7.022 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.148 -2.945 6.665 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.640 -3.833 6.986 1.00 0.00 H new ATOM 930 N LYS A 69 -7.266 -6.896 3.258 1.00 0.00 N ATOM 931 CA LYS A 69 -7.753 -8.056 2.532 1.00 0.00 C ATOM 932 C LYS A 69 -6.807 -9.235 2.767 1.00 0.00 C ATOM 933 O LYS A 69 -5.590 -9.094 2.645 1.00 0.00 O ATOM 934 CB LYS A 69 -7.956 -7.716 1.054 1.00 0.00 C ATOM 935 CG LYS A 69 -8.689 -6.383 0.894 1.00 0.00 C ATOM 936 CD LYS A 69 -10.197 -6.560 1.083 1.00 0.00 C ATOM 937 CE LYS A 69 -10.901 -6.739 -0.263 1.00 0.00 C ATOM 938 NZ LYS A 69 -11.449 -8.109 -0.384 1.00 0.00 N ATOM 0 H LYS A 69 -6.624 -6.302 2.733 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.733 -8.354 2.905 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.989 -7.666 0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.526 -8.509 0.570 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.309 -5.666 1.622 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.489 -5.970 -0.095 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.389 -7.427 1.716 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.607 -5.692 1.599 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.705 -6.010 -0.359 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.199 -6.549 -1.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.923 -8.213 -1.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.675 -8.800 -0.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.134 -8.278 0.380 1.00 0.00 H new ATOM 948 N ARG A 70 -7.400 -10.372 3.102 1.00 0.00 N ATOM 949 CA ARG A 70 -6.625 -11.574 3.355 1.00 0.00 C ATOM 950 C ARG A 70 -5.676 -11.850 2.188 1.00 0.00 C ATOM 951 O ARG A 70 -6.003 -11.566 1.037 1.00 0.00 O ATOM 952 CB ARG A 70 -7.537 -12.785 3.559 1.00 0.00 C ATOM 953 CG ARG A 70 -7.758 -13.062 5.048 1.00 0.00 C ATOM 954 CD ARG A 70 -7.409 -14.511 5.394 1.00 0.00 C ATOM 955 NE ARG A 70 -7.755 -14.792 6.805 1.00 0.00 N ATOM 956 CZ ARG A 70 -7.869 -16.024 7.319 1.00 0.00 C ATOM 957 NH1 ARG A 70 -7.665 -17.096 6.542 1.00 0.00 N ATOM 958 NH2 ARG A 70 -8.187 -16.184 8.611 1.00 0.00 N ATOM 0 H ARG A 70 -8.409 -10.486 3.204 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.048 -11.410 4.265 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.496 -12.608 3.072 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.095 -13.661 3.084 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.145 -12.385 5.642 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.797 -12.862 5.308 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.950 -15.191 4.736 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.346 -14.687 5.230 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.917 -13.998 7.425 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.423 -16.974 5.559 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.752 -18.034 6.934 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.342 -15.368 9.203 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.274 -17.122 9.002 1.00 0.00 H new ATOM 969 N PRO A 71 -4.487 -12.415 2.533 1.00 0.00 N ATOM 970 CA PRO A 71 -3.489 -12.733 1.528 1.00 0.00 C ATOM 971 C PRO A 71 -3.888 -13.977 0.731 1.00 0.00 C ATOM 972 O PRO A 71 -4.018 -15.063 1.294 1.00 0.00 O ATOM 973 CB PRO A 71 -2.194 -12.914 2.302 1.00 0.00 C ATOM 974 CG PRO A 71 -2.603 -13.151 3.747 1.00 0.00 C ATOM 975 CD PRO A 71 -4.067 -12.766 3.886 1.00 0.00 C ATOM 0 HA PRO A 71 -3.383 -11.948 0.779 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.622 -13.757 1.915 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.560 -12.032 2.215 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.456 -14.196 4.019 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.986 -12.556 4.421 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.658 -13.592 4.283 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.193 -11.927 4.570 1.00 0.00 H new ATOM 980 N GLY A 72 -4.073 -13.776 -0.566 1.00 0.00 N ATOM 981 CA GLY A 72 -4.456 -14.868 -1.444 1.00 0.00 C ATOM 982 C GLY A 72 -5.783 -14.570 -2.143 1.00 0.00 C ATOM 983 O GLY A 72 -6.296 -15.402 -2.890 1.00 0.00 O ATOM 0 H GLY A 72 -3.965 -12.874 -1.029 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.677 -15.031 -2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.543 -15.789 -0.868 1.00 0.00 H new ATOM 987 N ALA A 73 -6.302 -13.380 -1.876 1.00 0.00 N ATOM 988 CA ALA A 73 -7.560 -12.962 -2.471 1.00 0.00 C ATOM 989 C ALA A 73 -7.338 -12.637 -3.949 1.00 0.00 C ATOM 990 O ALA A 73 -6.209 -12.682 -4.434 1.00 0.00 O ATOM 991 CB ALA A 73 -8.123 -11.773 -1.689 1.00 0.00 C ATOM 0 H ALA A 73 -5.874 -12.693 -1.256 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.296 -13.765 -2.419 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.067 -11.459 -2.135 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.291 -12.066 -0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.413 -10.947 -1.722 1.00 0.00 H new ATOM 997 N VAL A 74 -8.434 -12.314 -4.622 1.00 0.00 N ATOM 998 CA VAL A 74 -8.372 -11.982 -6.035 1.00 0.00 C ATOM 999 C VAL A 74 -8.315 -10.461 -6.194 1.00 0.00 C ATOM 1000 O VAL A 74 -9.256 -9.759 -5.825 1.00 0.00 O ATOM 1001 CB VAL A 74 -9.552 -12.616 -6.773 1.00 0.00 C ATOM 1002 CG1 VAL A 74 -10.884 -12.165 -6.170 1.00 0.00 C ATOM 1003 CG2 VAL A 74 -9.495 -12.303 -8.270 1.00 0.00 C ATOM 0 H VAL A 74 -9.368 -12.275 -4.215 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.467 -12.391 -6.485 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.479 -13.697 -6.653 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.706 -12.631 -6.714 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.928 -12.462 -5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.968 -11.081 -6.244 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.345 -12.766 -8.771 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.530 -11.224 -8.418 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.569 -12.697 -8.689 1.00 0.00 H new ATOM 1013 N LEU A 75 -7.203 -9.997 -6.743 1.00 0.00 N ATOM 1014 CA LEU A 75 -7.010 -8.571 -6.954 1.00 0.00 C ATOM 1015 C LEU A 75 -7.751 -8.146 -8.224 1.00 0.00 C ATOM 1016 O LEU A 75 -7.687 -8.830 -9.244 1.00 0.00 O ATOM 1017 CB LEU A 75 -5.520 -8.228 -6.968 1.00 0.00 C ATOM 1018 CG LEU A 75 -5.029 -7.325 -5.834 1.00 0.00 C ATOM 1019 CD1 LEU A 75 -5.223 -5.849 -6.185 1.00 0.00 C ATOM 1020 CD2 LEU A 75 -5.703 -7.693 -4.510 1.00 0.00 C ATOM 0 H LEU A 75 -6.426 -10.582 -7.049 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.436 -8.001 -6.128 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.953 -9.158 -6.936 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.287 -7.745 -7.917 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.959 -7.487 -5.707 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.866 -5.229 -5.362 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.660 -5.613 -7.088 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.281 -5.652 -6.355 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.337 -7.037 -3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.782 -7.577 -4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.470 -8.728 -4.259 1.00 0.00 H new ATOM 1031 N GLU A 76 -8.437 -7.017 -8.119 1.00 0.00 N ATOM 1032 CA GLU A 76 -9.189 -6.490 -9.245 1.00 0.00 C ATOM 1033 C GLU A 76 -8.918 -4.994 -9.413 1.00 0.00 C ATOM 1034 O GLU A 76 -8.593 -4.307 -8.447 1.00 0.00 O ATOM 1035 CB GLU A 76 -10.686 -6.761 -9.080 1.00 0.00 C ATOM 1036 CG GLU A 76 -11.102 -8.022 -9.841 1.00 0.00 C ATOM 1037 CD GLU A 76 -12.567 -8.367 -9.567 1.00 0.00 C ATOM 1038 OE1 GLU A 76 -13.425 -7.820 -10.293 1.00 0.00 O ATOM 1039 OE2 GLU A 76 -12.797 -9.171 -8.638 1.00 0.00 O ATOM 0 H GLU A 76 -8.488 -6.453 -7.271 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.858 -7.002 -10.148 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.924 -6.875 -8.022 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.256 -5.907 -9.445 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.954 -7.872 -10.910 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.466 -8.856 -9.545 1.00 0.00 H new ATOM 1044 N ALA A 77 -9.060 -4.534 -10.647 1.00 0.00 N ATOM 1045 CA ALA A 77 -8.834 -3.132 -10.954 1.00 0.00 C ATOM 1046 C ALA A 77 -9.830 -2.276 -10.169 1.00 0.00 C ATOM 1047 O ALA A 77 -11.028 -2.554 -10.171 1.00 0.00 O ATOM 1048 CB ALA A 77 -8.942 -2.915 -12.465 1.00 0.00 C ATOM 0 H ALA A 77 -9.329 -5.108 -11.446 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.831 -2.830 -10.653 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.772 -1.863 -12.695 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.194 -3.523 -12.974 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.937 -3.204 -12.804 1.00 0.00 H new ATOM 1054 N GLY A 78 -9.298 -1.251 -9.519 1.00 0.00 N ATOM 1055 CA GLY A 78 -10.126 -0.352 -8.732 1.00 0.00 C ATOM 1056 C GLY A 78 -10.740 -1.081 -7.534 1.00 0.00 C ATOM 1057 O GLY A 78 -11.961 -1.148 -7.404 1.00 0.00 O ATOM 0 H GLY A 78 -8.304 -1.023 -9.521 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.526 0.489 -8.383 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.918 0.060 -9.357 1.00 0.00 H new ATOM 1061 N CYS A 79 -9.864 -1.606 -6.690 1.00 0.00 N ATOM 1062 CA CYS A 79 -10.305 -2.326 -5.508 1.00 0.00 C ATOM 1063 C CYS A 79 -9.398 -1.934 -4.341 1.00 0.00 C ATOM 1064 O CYS A 79 -8.407 -1.229 -4.529 1.00 0.00 O ATOM 1065 CB CYS A 79 -10.316 -3.839 -5.738 1.00 0.00 C ATOM 1066 SG CYS A 79 -11.992 -4.383 -6.234 1.00 0.00 S ATOM 0 H CYS A 79 -8.852 -1.547 -6.801 1.00 0.00 H new ATOM 0 HA CYS A 79 -11.334 -2.052 -5.276 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.595 -4.103 -6.512 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.011 -4.356 -4.828 1.00 0.00 H new ATOM 0 HG CYS A 79 -11.991 -5.668 -6.429 1.00 0.00 H new ATOM 1071 N VAL A 80 -9.768 -2.407 -3.159 1.00 0.00 N ATOM 1072 CA VAL A 80 -8.999 -2.115 -1.961 1.00 0.00 C ATOM 1073 C VAL A 80 -8.044 -3.275 -1.678 1.00 0.00 C ATOM 1074 O VAL A 80 -8.377 -4.433 -1.924 1.00 0.00 O ATOM 1075 CB VAL A 80 -9.943 -1.817 -0.794 1.00 0.00 C ATOM 1076 CG1 VAL A 80 -10.777 -3.048 -0.437 1.00 0.00 C ATOM 1077 CG2 VAL A 80 -9.166 -1.309 0.422 1.00 0.00 C ATOM 0 H VAL A 80 -10.590 -2.991 -3.006 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.390 -1.222 -2.105 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.627 -1.029 -1.108 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -11.439 -2.810 0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.372 -3.347 -1.300 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.115 -3.866 -0.151 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -9.860 -1.105 1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.448 -2.066 0.737 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.636 -0.394 0.159 1.00 0.00 H new ATOM 1087 N VAL A 81 -6.873 -2.924 -1.163 1.00 0.00 N ATOM 1088 CA VAL A 81 -5.868 -3.923 -0.842 1.00 0.00 C ATOM 1089 C VAL A 81 -5.522 -3.832 0.645 1.00 0.00 C ATOM 1090 O VAL A 81 -5.808 -4.752 1.410 1.00 0.00 O ATOM 1091 CB VAL A 81 -4.650 -3.748 -1.751 1.00 0.00 C ATOM 1092 CG1 VAL A 81 -3.592 -4.815 -1.461 1.00 0.00 C ATOM 1093 CG2 VAL A 81 -5.058 -3.767 -3.225 1.00 0.00 C ATOM 0 H VAL A 81 -6.599 -1.963 -0.961 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.253 -4.926 -1.025 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.211 -2.773 -1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.737 -4.668 -2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.268 -4.734 -0.423 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.016 -5.804 -1.632 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.173 -3.641 -3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.534 -4.719 -3.459 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.758 -2.954 -3.419 1.00 0.00 H new ATOM 1103 N ALA A 82 -4.911 -2.715 1.011 1.00 0.00 N ATOM 1104 CA ALA A 82 -4.522 -2.493 2.394 1.00 0.00 C ATOM 1105 C ALA A 82 -4.855 -1.052 2.788 1.00 0.00 C ATOM 1106 O ALA A 82 -5.382 -0.290 1.978 1.00 0.00 O ATOM 1107 CB ALA A 82 -3.037 -2.817 2.566 1.00 0.00 C ATOM 0 H ALA A 82 -4.676 -1.954 0.374 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.078 -3.153 3.060 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.746 -2.650 3.603 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.859 -3.860 2.302 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.446 -2.172 1.915 1.00 0.00 H new ATOM 1113 N ARG A 83 -4.534 -0.722 4.030 1.00 0.00 N ATOM 1114 CA ARG A 83 -4.792 0.613 4.539 1.00 0.00 C ATOM 1115 C ARG A 83 -3.475 1.365 4.746 1.00 0.00 C ATOM 1116 O ARG A 83 -2.472 0.772 5.138 1.00 0.00 O ATOM 1117 CB ARG A 83 -5.554 0.559 5.865 1.00 0.00 C ATOM 1118 CG ARG A 83 -5.469 1.898 6.602 1.00 0.00 C ATOM 1119 CD ARG A 83 -6.136 3.011 5.792 1.00 0.00 C ATOM 1120 NE ARG A 83 -7.318 3.527 6.518 1.00 0.00 N ATOM 1121 CZ ARG A 83 -8.544 2.997 6.427 1.00 0.00 C ATOM 1122 NH1 ARG A 83 -8.759 1.933 5.640 1.00 0.00 N ATOM 1123 NH2 ARG A 83 -9.559 3.529 7.122 1.00 0.00 N ATOM 0 H ARG A 83 -4.097 -1.357 4.699 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.402 1.137 3.803 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.598 0.308 5.678 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.143 -0.232 6.492 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.951 1.813 7.576 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.425 2.151 6.784 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.426 3.819 5.616 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.436 2.631 4.815 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.191 4.337 7.125 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.988 1.527 5.110 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.693 1.530 5.571 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.398 4.339 7.721 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.493 3.124 7.052 1.00 0.00 H new ATOM 1134 N LEU A 84 -3.523 2.661 4.474 1.00 0.00 N ATOM 1135 CA LEU A 84 -2.346 3.501 4.626 1.00 0.00 C ATOM 1136 C LEU A 84 -2.687 4.692 5.523 1.00 0.00 C ATOM 1137 O LEU A 84 -3.430 5.585 5.120 1.00 0.00 O ATOM 1138 CB LEU A 84 -1.794 3.901 3.256 1.00 0.00 C ATOM 1139 CG LEU A 84 -0.360 3.461 2.956 1.00 0.00 C ATOM 1140 CD1 LEU A 84 -0.021 3.666 1.478 1.00 0.00 C ATOM 1141 CD2 LEU A 84 0.636 4.172 3.876 1.00 0.00 C ATOM 0 H LEU A 84 -4.357 3.150 4.150 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.545 2.950 5.119 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.448 3.488 2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.846 4.986 3.168 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.281 2.393 3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.004 3.345 1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.702 3.078 0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.123 4.721 1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.648 3.841 3.642 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.563 5.249 3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.407 3.932 4.914 1.00 0.00 H new ATOM 1152 N GLU A 85 -2.127 4.666 6.724 1.00 0.00 N ATOM 1153 CA GLU A 85 -2.363 5.733 7.682 1.00 0.00 C ATOM 1154 C GLU A 85 -1.300 6.824 7.534 1.00 0.00 C ATOM 1155 O GLU A 85 -0.230 6.737 8.132 1.00 0.00 O ATOM 1156 CB GLU A 85 -2.394 5.188 9.112 1.00 0.00 C ATOM 1157 CG GLU A 85 -3.415 5.943 9.964 1.00 0.00 C ATOM 1158 CD GLU A 85 -2.806 7.220 10.548 1.00 0.00 C ATOM 1159 OE1 GLU A 85 -2.401 8.079 9.734 1.00 0.00 O ATOM 1160 OE2 GLU A 85 -2.759 7.308 11.794 1.00 0.00 O ATOM 0 H GLU A 85 -1.511 3.923 7.055 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.338 6.173 7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.643 4.127 9.095 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.404 5.277 9.560 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -4.285 6.195 9.357 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.766 5.301 10.772 1.00 0.00 H new