USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 544 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 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc=-0.00365 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -135:sc= 0.097 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -6:sc= 0.997 USER MOD Single : A 43 MET CE :methyl -169:sc= -1.11 (180deg=-1.53) USER MOD Single : A 45 MET CE :methyl -167:sc= -0.988 (180deg=-2.17) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HE2:sc= -2.14! C(o=-2.1!,f=-6.9!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -109:sc= -0.0597 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.56 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 130:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.0853 K(o=-0.085,f=-0.99) USER MOD Single : A 76 HIS : no HD1:sc= -3.99! C(o=-4!,f=-4!) USER MOD Single : A 77 THR OG1 : rot -118:sc= 0.884 USER MOD ----------------------------------------------------------------- ATOM 174 N GLY A 16 1.828 9.400 2.357 1.00 0.00 N ATOM 175 CA GLY A 16 1.139 8.198 2.795 1.00 0.00 C ATOM 176 C GLY A 16 2.135 7.092 3.148 1.00 0.00 C ATOM 177 O GLY A 16 3.346 7.303 3.097 1.00 0.00 O ATOM 0 HA2 GLY A 16 0.520 8.425 3.663 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.469 7.851 2.008 1.00 0.00 H new ATOM 181 N PRO A 17 1.574 5.906 3.506 1.00 0.00 N ATOM 182 CA PRO A 17 2.400 4.766 3.867 1.00 0.00 C ATOM 183 C PRO A 17 3.031 4.132 2.626 1.00 0.00 C ATOM 184 O PRO A 17 2.588 4.378 1.506 1.00 0.00 O ATOM 185 CB PRO A 17 1.466 3.823 4.607 1.00 0.00 C ATOM 186 CG PRO A 17 0.057 4.250 4.230 1.00 0.00 C ATOM 187 CD PRO A 17 0.145 5.620 3.578 1.00 0.00 C ATOM 0 HA PRO A 17 3.246 5.041 4.496 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.650 2.787 4.321 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.619 3.888 5.684 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.390 3.529 3.545 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.580 4.288 5.114 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.308 5.616 2.587 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.380 6.373 4.166 1.00 0.00 H new ATOM 195 N LEU A 18 4.056 3.328 2.869 1.00 0.00 N ATOM 196 CA LEU A 18 4.753 2.656 1.785 1.00 0.00 C ATOM 197 C LEU A 18 4.732 1.146 2.029 1.00 0.00 C ATOM 198 O LEU A 18 4.863 0.695 3.167 1.00 0.00 O ATOM 199 CB LEU A 18 6.160 3.232 1.614 1.00 0.00 C ATOM 200 CG LEU A 18 6.238 4.716 1.252 1.00 0.00 C ATOM 201 CD1 LEU A 18 7.683 5.217 1.300 1.00 0.00 C ATOM 202 CD2 LEU A 18 5.582 4.985 -0.103 1.00 0.00 C ATOM 0 H LEU A 18 4.420 3.127 3.800 1.00 0.00 H new ATOM 0 HA LEU A 18 4.244 2.833 0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.710 3.075 2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.673 2.662 0.839 1.00 0.00 H new ATOM 0 HG LEU A 18 5.677 5.280 1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.710 6.275 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.082 5.081 2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.288 4.652 0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.651 6.047 -0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.093 4.410 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.533 4.690 -0.065 1.00 0.00 H new ATOM 214 N ALA A 19 4.566 0.405 0.944 1.00 0.00 N ATOM 215 CA ALA A 19 4.526 -1.045 1.026 1.00 0.00 C ATOM 216 C ALA A 19 5.776 -1.545 1.752 1.00 0.00 C ATOM 217 O ALA A 19 6.875 -1.040 1.525 1.00 0.00 O ATOM 218 CB ALA A 19 4.395 -1.633 -0.381 1.00 0.00 C ATOM 0 H ALA A 19 4.458 0.782 0.002 1.00 0.00 H new ATOM 0 HA ALA A 19 3.658 -1.373 1.599 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.365 -2.721 -0.319 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.477 -1.270 -0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.250 -1.327 -0.984 1.00 0.00 H new ATOM 224 N PRO A 20 5.562 -2.557 2.635 1.00 0.00 N ATOM 225 CA PRO A 20 6.659 -3.131 3.396 1.00 0.00 C ATOM 226 C PRO A 20 7.524 -4.036 2.515 1.00 0.00 C ATOM 227 O PRO A 20 8.742 -4.082 2.675 1.00 0.00 O ATOM 228 CB PRO A 20 5.995 -3.877 4.542 1.00 0.00 C ATOM 229 CG PRO A 20 4.549 -4.084 4.122 1.00 0.00 C ATOM 230 CD PRO A 20 4.275 -3.180 2.930 1.00 0.00 C ATOM 0 HA PRO A 20 7.348 -2.376 3.775 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.489 -4.831 4.725 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.055 -3.304 5.468 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.374 -5.127 3.858 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.875 -3.846 4.945 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.906 -3.750 2.077 1.00 0.00 H new ATOM 0 HD3 PRO A 20 3.518 -2.432 3.166 1.00 0.00 H new ATOM 238 N MET A 21 6.859 -4.732 1.605 1.00 0.00 N ATOM 239 CA MET A 21 7.552 -5.632 0.699 1.00 0.00 C ATOM 240 C MET A 21 6.682 -5.962 -0.516 1.00 0.00 C ATOM 241 O MET A 21 5.510 -5.595 -0.564 1.00 0.00 O ATOM 242 CB MET A 21 7.910 -6.923 1.437 1.00 0.00 C ATOM 243 CG MET A 21 8.984 -7.707 0.680 1.00 0.00 C ATOM 244 SD MET A 21 9.943 -8.688 1.822 1.00 0.00 S ATOM 245 CE MET A 21 10.959 -9.599 0.672 1.00 0.00 C ATOM 0 H MET A 21 5.848 -4.691 1.476 1.00 0.00 H new ATOM 0 HA MET A 21 8.460 -5.140 0.350 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.266 -6.686 2.440 1.00 0.00 H new ATOM 0 HB3 MET A 21 7.018 -7.539 1.553 1.00 0.00 H new ATOM 0 HG2 MET A 21 8.518 -8.353 -0.064 1.00 0.00 H new ATOM 0 HG3 MET A 21 9.636 -7.019 0.142 1.00 0.00 H new ATOM 0 HE1 MET A 21 11.623 -10.265 1.222 1.00 0.00 H new ATOM 0 HE2 MET A 21 10.322 -10.186 0.010 1.00 0.00 H new ATOM 0 HE3 MET A 21 11.553 -8.902 0.080 1.00 0.00 H new ATOM 255 N THR A 22 7.291 -6.653 -1.469 1.00 0.00 N ATOM 256 CA THR A 22 6.588 -7.038 -2.681 1.00 0.00 C ATOM 257 C THR A 22 5.549 -8.118 -2.374 1.00 0.00 C ATOM 258 O THR A 22 5.886 -9.175 -1.841 1.00 0.00 O ATOM 259 CB THR A 22 7.629 -7.471 -3.715 1.00 0.00 C ATOM 260 OG1 THR A 22 8.558 -6.391 -3.746 1.00 0.00 O ATOM 261 CG2 THR A 22 7.061 -7.516 -5.135 1.00 0.00 C ATOM 0 H THR A 22 8.264 -6.956 -1.426 1.00 0.00 H new ATOM 0 HA THR A 22 6.027 -6.201 -3.096 1.00 0.00 H new ATOM 0 HB THR A 22 8.017 -8.454 -3.449 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.269 -6.589 -4.391 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.841 -7.829 -5.829 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.234 -8.226 -5.174 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.702 -6.526 -5.415 1.00 0.00 H new ATOM 269 N GLY A 23 4.307 -7.817 -2.724 1.00 0.00 N ATOM 270 CA GLY A 23 3.217 -8.749 -2.493 1.00 0.00 C ATOM 271 C GLY A 23 1.992 -8.379 -3.332 1.00 0.00 C ATOM 272 O GLY A 23 2.115 -7.701 -4.351 1.00 0.00 O ATOM 0 H GLY A 23 4.031 -6.940 -3.166 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.540 -9.760 -2.741 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.952 -8.749 -1.436 1.00 0.00 H new ATOM 276 N THR A 24 0.839 -8.841 -2.873 1.00 0.00 N ATOM 277 CA THR A 24 -0.408 -8.567 -3.568 1.00 0.00 C ATOM 278 C THR A 24 -1.479 -8.103 -2.579 1.00 0.00 C ATOM 279 O THR A 24 -1.706 -8.747 -1.556 1.00 0.00 O ATOM 280 CB THR A 24 -0.802 -9.825 -4.345 1.00 0.00 C ATOM 281 OG1 THR A 24 0.243 -9.985 -5.300 1.00 0.00 O ATOM 282 CG2 THR A 24 -2.057 -9.619 -5.196 1.00 0.00 C ATOM 0 H THR A 24 0.741 -9.404 -2.028 1.00 0.00 H new ATOM 0 HA THR A 24 -0.293 -7.750 -4.280 1.00 0.00 H new ATOM 0 HB THR A 24 -0.968 -10.645 -3.647 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.068 -10.780 -5.846 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.293 -10.542 -5.726 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.893 -9.347 -4.552 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.881 -8.821 -5.917 1.00 0.00 H new ATOM 290 N ILE A 25 -2.109 -6.988 -2.920 1.00 0.00 N ATOM 291 CA ILE A 25 -3.151 -6.430 -2.075 1.00 0.00 C ATOM 292 C ILE A 25 -4.322 -7.413 -2.000 1.00 0.00 C ATOM 293 O ILE A 25 -5.129 -7.494 -2.924 1.00 0.00 O ATOM 294 CB ILE A 25 -3.549 -5.036 -2.564 1.00 0.00 C ATOM 295 CG1 ILE A 25 -2.329 -4.118 -2.653 1.00 0.00 C ATOM 296 CG2 ILE A 25 -4.652 -4.441 -1.687 1.00 0.00 C ATOM 297 CD1 ILE A 25 -1.874 -3.674 -1.261 1.00 0.00 C ATOM 0 H ILE A 25 -1.918 -6.456 -3.769 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.783 -6.293 -1.058 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.955 -5.130 -3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.514 -4.638 -3.157 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.571 -3.243 -3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.916 -3.450 -2.057 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.530 -5.086 -1.719 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.297 -4.362 -0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.005 -3.022 -1.353 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.683 -3.133 -0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.610 -4.550 -0.668 1.00 0.00 H new ATOM 309 N GLU A 26 -4.377 -8.135 -0.890 1.00 0.00 N ATOM 310 CA GLU A 26 -5.435 -9.108 -0.682 1.00 0.00 C ATOM 311 C GLU A 26 -6.784 -8.402 -0.533 1.00 0.00 C ATOM 312 O GLU A 26 -7.745 -8.740 -1.222 1.00 0.00 O ATOM 313 CB GLU A 26 -5.139 -9.988 0.534 1.00 0.00 C ATOM 314 CG GLU A 26 -6.222 -11.055 0.715 1.00 0.00 C ATOM 315 CD GLU A 26 -6.043 -12.194 -0.291 1.00 0.00 C ATOM 316 OE1 GLU A 26 -5.918 -11.875 -1.493 1.00 0.00 O ATOM 317 OE2 GLU A 26 -6.036 -13.357 0.165 1.00 0.00 O ATOM 0 H GLU A 26 -3.706 -8.065 -0.125 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.482 -9.757 -1.556 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.168 -10.467 0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.080 -9.369 1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.181 -11.451 1.730 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.206 -10.604 0.588 1.00 0.00 H new ATOM 324 N LYS A 27 -6.813 -7.435 0.372 1.00 0.00 N ATOM 325 CA LYS A 27 -8.028 -6.678 0.621 1.00 0.00 C ATOM 326 C LYS A 27 -7.693 -5.186 0.674 1.00 0.00 C ATOM 327 O LYS A 27 -6.523 -4.808 0.652 1.00 0.00 O ATOM 328 CB LYS A 27 -8.734 -7.195 1.876 1.00 0.00 C ATOM 329 CG LYS A 27 -9.825 -8.205 1.515 1.00 0.00 C ATOM 330 CD LYS A 27 -11.141 -7.496 1.185 1.00 0.00 C ATOM 331 CE LYS A 27 -11.446 -7.577 -0.312 1.00 0.00 C ATOM 332 NZ LYS A 27 -12.563 -8.515 -0.563 1.00 0.00 N ATOM 0 H LYS A 27 -6.014 -7.158 0.942 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.737 -6.817 -0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.007 -7.662 2.540 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.173 -6.359 2.421 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.505 -8.802 0.661 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.977 -8.894 2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.955 -7.950 1.751 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.083 -6.452 1.492 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.702 -6.588 -0.691 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.559 -7.906 -0.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.757 -8.558 -1.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.305 -9.462 -0.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.413 -8.185 -0.063 1.00 0.00 H new ATOM 346 N VAL A 28 -8.742 -4.379 0.744 1.00 0.00 N ATOM 347 CA VAL A 28 -8.574 -2.937 0.800 1.00 0.00 C ATOM 348 C VAL A 28 -9.722 -2.325 1.605 1.00 0.00 C ATOM 349 O VAL A 28 -10.824 -2.152 1.087 1.00 0.00 O ATOM 350 CB VAL A 28 -8.465 -2.367 -0.615 1.00 0.00 C ATOM 351 CG1 VAL A 28 -8.581 -0.841 -0.602 1.00 0.00 C ATOM 352 CG2 VAL A 28 -7.165 -2.813 -1.288 1.00 0.00 C ATOM 0 H VAL A 28 -9.711 -4.697 0.763 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.646 -2.680 1.311 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.296 -2.761 -1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.500 -0.461 -1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.545 -0.553 -0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.780 -0.420 0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.113 -2.394 -2.293 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.314 -2.462 -0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.141 -3.901 -1.347 1.00 0.00 H new ATOM 362 N PHE A 29 -9.425 -2.015 2.858 1.00 0.00 N ATOM 363 CA PHE A 29 -10.419 -1.426 3.739 1.00 0.00 C ATOM 364 C PHE A 29 -10.247 0.092 3.822 1.00 0.00 C ATOM 365 O PHE A 29 -10.181 0.655 4.914 1.00 0.00 O ATOM 366 CB PHE A 29 -10.198 -2.028 5.128 1.00 0.00 C ATOM 367 CG PHE A 29 -10.238 -3.558 5.156 1.00 0.00 C ATOM 368 CD1 PHE A 29 -11.331 -4.218 4.690 1.00 0.00 C ATOM 369 CD2 PHE A 29 -9.179 -4.256 5.648 1.00 0.00 C ATOM 370 CE1 PHE A 29 -11.368 -5.638 4.717 1.00 0.00 C ATOM 371 CE2 PHE A 29 -9.216 -5.675 5.674 1.00 0.00 C ATOM 372 CZ PHE A 29 -10.309 -6.336 5.208 1.00 0.00 C ATOM 0 H PHE A 29 -8.510 -2.161 3.284 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.420 -1.632 3.360 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.233 -1.693 5.509 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -10.960 -1.642 5.806 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.171 -3.663 4.299 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.311 -3.731 6.018 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.237 -6.163 4.348 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.375 -6.230 6.064 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.336 -7.415 5.228 1.00 0.00 H new ATOM 382 N VAL A 30 -10.180 0.713 2.653 1.00 0.00 N ATOM 383 CA VAL A 30 -10.018 2.155 2.579 1.00 0.00 C ATOM 384 C VAL A 30 -10.702 2.677 1.314 1.00 0.00 C ATOM 385 O VAL A 30 -11.372 1.922 0.610 1.00 0.00 O ATOM 386 CB VAL A 30 -8.534 2.519 2.650 1.00 0.00 C ATOM 387 CG1 VAL A 30 -7.935 2.121 4.001 1.00 0.00 C ATOM 388 CG2 VAL A 30 -7.757 1.880 1.497 1.00 0.00 C ATOM 0 H VAL A 30 -10.235 0.243 1.749 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.498 2.637 3.430 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.450 3.601 2.552 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.879 2.391 4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.461 2.643 4.800 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.038 1.045 4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.705 2.155 1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.854 0.796 1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.158 2.234 0.547 1.00 0.00 H new ATOM 398 N LYS A 31 -10.510 3.963 1.064 1.00 0.00 N ATOM 399 CA LYS A 31 -11.099 4.595 -0.105 1.00 0.00 C ATOM 400 C LYS A 31 -10.653 6.057 -0.169 1.00 0.00 C ATOM 401 O LYS A 31 -9.699 6.448 0.502 1.00 0.00 O ATOM 402 CB LYS A 31 -12.619 4.416 -0.101 1.00 0.00 C ATOM 403 CG LYS A 31 -13.242 5.045 1.147 1.00 0.00 C ATOM 404 CD LYS A 31 -13.871 6.401 0.821 1.00 0.00 C ATOM 405 CE LYS A 31 -15.346 6.433 1.228 1.00 0.00 C ATOM 406 NZ LYS A 31 -16.055 7.523 0.520 1.00 0.00 N ATOM 0 H LYS A 31 -9.955 4.586 1.651 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.746 4.114 -1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.045 4.873 -0.994 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.864 3.355 -0.138 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.000 4.377 1.555 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.479 5.169 1.916 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.329 7.192 1.341 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.780 6.601 -0.247 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.814 5.476 0.997 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.429 6.576 2.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.658 8.039 1.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.361 8.177 0.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -16.645 7.120 -0.236 1.00 0.00 H new ATOM 420 N ALA A 32 -11.363 6.824 -0.982 1.00 0.00 N ATOM 421 CA ALA A 32 -11.052 8.234 -1.143 1.00 0.00 C ATOM 422 C ALA A 32 -12.048 9.067 -0.335 1.00 0.00 C ATOM 423 O ALA A 32 -13.227 8.725 -0.254 1.00 0.00 O ATOM 424 CB ALA A 32 -11.062 8.593 -2.630 1.00 0.00 C ATOM 0 H ALA A 32 -12.153 6.496 -1.537 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.054 8.453 -0.762 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -10.829 9.651 -2.750 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.316 7.995 -3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -12.048 8.389 -3.047 1.00 0.00 H new ATOM 430 N GLY A 33 -11.539 10.146 0.242 1.00 0.00 N ATOM 431 CA GLY A 33 -12.369 11.030 1.041 1.00 0.00 C ATOM 432 C GLY A 33 -12.890 10.315 2.289 1.00 0.00 C ATOM 433 O GLY A 33 -13.935 10.679 2.827 1.00 0.00 O ATOM 0 H GLY A 33 -10.561 10.428 0.172 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.794 11.908 1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.209 11.384 0.443 1.00 0.00 H new ATOM 437 N ASP A 34 -12.138 9.310 2.713 1.00 0.00 N ATOM 438 CA ASP A 34 -12.511 8.540 3.888 1.00 0.00 C ATOM 439 C ASP A 34 -11.728 9.053 5.098 1.00 0.00 C ATOM 440 O ASP A 34 -10.803 9.849 4.951 1.00 0.00 O ATOM 441 CB ASP A 34 -12.179 7.058 3.704 1.00 0.00 C ATOM 442 CG ASP A 34 -13.324 6.094 4.021 1.00 0.00 C ATOM 443 OD1 ASP A 34 -14.440 6.600 4.266 1.00 0.00 O ATOM 444 OD2 ASP A 34 -13.057 4.873 4.013 1.00 0.00 O ATOM 0 H ASP A 34 -11.272 9.011 2.264 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.585 8.653 4.038 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.864 6.897 2.673 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.329 6.810 4.340 1.00 0.00 H new ATOM 449 N LYS A 35 -12.129 8.576 6.268 1.00 0.00 N ATOM 450 CA LYS A 35 -11.477 8.976 7.503 1.00 0.00 C ATOM 451 C LYS A 35 -11.034 7.728 8.269 1.00 0.00 C ATOM 452 O LYS A 35 -11.824 6.808 8.473 1.00 0.00 O ATOM 453 CB LYS A 35 -12.385 9.905 8.312 1.00 0.00 C ATOM 454 CG LYS A 35 -12.772 11.140 7.496 1.00 0.00 C ATOM 455 CD LYS A 35 -14.218 11.042 7.006 1.00 0.00 C ATOM 456 CE LYS A 35 -14.584 12.245 6.135 1.00 0.00 C ATOM 457 NZ LYS A 35 -15.560 13.112 6.832 1.00 0.00 N ATOM 0 H LYS A 35 -12.898 7.916 6.386 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.578 9.554 7.289 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -13.284 9.368 8.614 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.875 10.213 9.225 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.651 12.036 8.105 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.101 11.242 6.643 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.351 10.122 6.437 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.893 10.988 7.861 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.686 12.816 5.897 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -15.004 11.902 5.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -15.798 13.924 6.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.423 12.569 7.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -15.146 13.454 7.723 1.00 0.00 H new ATOM 471 N VAL A 36 -9.772 7.736 8.671 1.00 0.00 N ATOM 472 CA VAL A 36 -9.215 6.616 9.410 1.00 0.00 C ATOM 473 C VAL A 36 -8.587 7.129 10.708 1.00 0.00 C ATOM 474 O VAL A 36 -8.522 8.336 10.936 1.00 0.00 O ATOM 475 CB VAL A 36 -8.226 5.849 8.530 1.00 0.00 C ATOM 476 CG1 VAL A 36 -8.959 5.050 7.450 1.00 0.00 C ATOM 477 CG2 VAL A 36 -7.196 6.794 7.909 1.00 0.00 C ATOM 0 H VAL A 36 -9.119 8.500 8.499 1.00 0.00 H new ATOM 0 HA VAL A 36 -10.000 5.911 9.685 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.691 5.143 9.165 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.233 4.514 6.838 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -9.634 4.336 7.921 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -9.532 5.730 6.820 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.506 6.223 7.289 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.707 7.536 7.295 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.641 7.298 8.700 1.00 0.00 H new ATOM 487 N LYS A 37 -8.140 6.185 11.525 1.00 0.00 N ATOM 488 CA LYS A 37 -7.520 6.526 12.793 1.00 0.00 C ATOM 489 C LYS A 37 -6.190 5.781 12.923 1.00 0.00 C ATOM 490 O LYS A 37 -6.108 4.593 12.614 1.00 0.00 O ATOM 491 CB LYS A 37 -8.487 6.264 13.950 1.00 0.00 C ATOM 492 CG LYS A 37 -9.603 7.311 13.980 1.00 0.00 C ATOM 493 CD LYS A 37 -9.504 8.182 15.234 1.00 0.00 C ATOM 494 CE LYS A 37 -10.686 7.928 16.172 1.00 0.00 C ATOM 495 NZ LYS A 37 -11.180 9.203 16.739 1.00 0.00 N ATOM 0 H LYS A 37 -8.195 5.185 11.332 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.294 7.592 12.832 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.920 5.269 13.849 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.943 6.280 14.894 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.542 7.939 13.091 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.573 6.815 13.953 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.570 7.971 15.755 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.480 9.234 14.950 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.489 7.429 15.629 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.382 7.259 16.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.982 9.013 17.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.417 9.664 17.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.489 9.829 15.968 1.00 0.00 H new ATOM 509 N ALA A 38 -5.182 6.509 13.379 1.00 0.00 N ATOM 510 CA ALA A 38 -3.860 5.932 13.553 1.00 0.00 C ATOM 511 C ALA A 38 -3.996 4.520 14.127 1.00 0.00 C ATOM 512 O ALA A 38 -4.590 4.332 15.188 1.00 0.00 O ATOM 513 CB ALA A 38 -3.017 6.845 14.446 1.00 0.00 C ATOM 0 H ALA A 38 -5.254 7.494 13.634 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.348 5.851 12.594 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.025 6.412 14.576 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.926 7.826 13.980 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.498 6.948 15.418 1.00 0.00 H new ATOM 519 N GLY A 39 -3.437 3.564 13.401 1.00 0.00 N ATOM 520 CA GLY A 39 -3.488 2.175 13.825 1.00 0.00 C ATOM 521 C GLY A 39 -4.797 1.515 13.384 1.00 0.00 C ATOM 522 O GLY A 39 -5.437 0.814 14.166 1.00 0.00 O ATOM 0 H GLY A 39 -2.946 3.724 12.521 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.642 1.631 13.404 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.395 2.118 14.910 1.00 0.00 H new ATOM 526 N ASP A 40 -5.156 1.764 12.133 1.00 0.00 N ATOM 527 CA ASP A 40 -6.376 1.204 11.579 1.00 0.00 C ATOM 528 C ASP A 40 -6.033 0.361 10.349 1.00 0.00 C ATOM 529 O ASP A 40 -5.211 0.762 9.527 1.00 0.00 O ATOM 530 CB ASP A 40 -7.341 2.308 11.142 1.00 0.00 C ATOM 531 CG ASP A 40 -8.139 2.956 12.275 1.00 0.00 C ATOM 532 OD1 ASP A 40 -7.862 2.599 13.440 1.00 0.00 O ATOM 533 OD2 ASP A 40 -9.008 3.793 11.950 1.00 0.00 O ATOM 0 H ASP A 40 -4.623 2.346 11.487 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.849 0.597 12.351 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.773 3.084 10.628 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.041 1.892 10.417 1.00 0.00 H new ATOM 538 N SER A 41 -6.680 -0.792 10.262 1.00 0.00 N ATOM 539 CA SER A 41 -6.454 -1.695 9.147 1.00 0.00 C ATOM 540 C SER A 41 -6.866 -1.021 7.836 1.00 0.00 C ATOM 541 O SER A 41 -8.054 -0.914 7.536 1.00 0.00 O ATOM 542 CB SER A 41 -7.221 -3.005 9.334 1.00 0.00 C ATOM 543 OG SER A 41 -8.577 -2.895 8.912 1.00 0.00 O ATOM 0 H SER A 41 -7.361 -1.121 10.946 1.00 0.00 H new ATOM 0 HA SER A 41 -5.391 -1.931 9.109 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.729 -3.797 8.769 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.191 -3.296 10.384 1.00 0.00 H new ATOM 0 HG SER A 41 -8.772 -1.964 8.676 1.00 0.00 H new ATOM 549 N LEU A 42 -5.861 -0.585 7.091 1.00 0.00 N ATOM 550 CA LEU A 42 -6.104 0.075 5.819 1.00 0.00 C ATOM 551 C LEU A 42 -6.384 -0.979 4.747 1.00 0.00 C ATOM 552 O LEU A 42 -7.499 -1.068 4.235 1.00 0.00 O ATOM 553 CB LEU A 42 -4.945 1.012 5.472 1.00 0.00 C ATOM 554 CG LEU A 42 -4.665 2.133 6.476 1.00 0.00 C ATOM 555 CD1 LEU A 42 -3.398 2.902 6.099 1.00 0.00 C ATOM 556 CD2 LEU A 42 -5.876 3.057 6.618 1.00 0.00 C ATOM 0 H LEU A 42 -4.877 -0.676 7.344 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.989 0.709 5.882 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.040 0.414 5.364 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.147 1.463 4.501 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.489 1.681 7.452 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.222 3.693 6.828 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.548 2.220 6.090 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.520 3.342 5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.650 3.845 7.337 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.108 3.504 5.651 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.734 2.482 6.967 1.00 0.00 H new ATOM 568 N MET A 43 -5.353 -1.752 4.439 1.00 0.00 N ATOM 569 CA MET A 43 -5.475 -2.797 3.437 1.00 0.00 C ATOM 570 C MET A 43 -4.719 -4.057 3.864 1.00 0.00 C ATOM 571 O MET A 43 -4.056 -4.066 4.900 1.00 0.00 O ATOM 572 CB MET A 43 -4.917 -2.294 2.104 1.00 0.00 C ATOM 573 CG MET A 43 -5.684 -1.062 1.619 1.00 0.00 C ATOM 574 SD MET A 43 -4.589 0.347 1.544 1.00 0.00 S ATOM 575 CE MET A 43 -4.074 0.247 -0.163 1.00 0.00 C ATOM 0 H MET A 43 -4.430 -1.676 4.866 1.00 0.00 H new ATOM 0 HA MET A 43 -6.530 -3.048 3.328 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.861 -2.048 2.217 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.982 -3.085 1.357 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.112 -1.254 0.635 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.515 -0.852 2.292 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.242 0.930 -0.333 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.759 -0.772 -0.389 1.00 0.00 H new ATOM 0 HE3 MET A 43 -4.906 0.522 -0.811 1.00 0.00 H new ATOM 585 N VAL A 44 -4.843 -5.090 3.043 1.00 0.00 N ATOM 586 CA VAL A 44 -4.179 -6.352 3.323 1.00 0.00 C ATOM 587 C VAL A 44 -3.311 -6.743 2.125 1.00 0.00 C ATOM 588 O VAL A 44 -3.733 -6.606 0.977 1.00 0.00 O ATOM 589 CB VAL A 44 -5.214 -7.418 3.685 1.00 0.00 C ATOM 590 CG1 VAL A 44 -4.545 -8.773 3.925 1.00 0.00 C ATOM 591 CG2 VAL A 44 -6.039 -6.991 4.901 1.00 0.00 C ATOM 0 H VAL A 44 -5.393 -5.079 2.184 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.519 -6.254 4.185 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.894 -7.525 2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.303 -9.513 4.181 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.023 -9.086 3.021 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.832 -8.686 4.745 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.767 -7.767 5.137 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.378 -6.842 5.755 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.560 -6.060 4.678 1.00 0.00 H new ATOM 601 N MET A 45 -2.115 -7.222 2.433 1.00 0.00 N ATOM 602 CA MET A 45 -1.184 -7.635 1.396 1.00 0.00 C ATOM 603 C MET A 45 -0.769 -9.096 1.581 1.00 0.00 C ATOM 604 O MET A 45 -0.936 -9.660 2.661 1.00 0.00 O ATOM 605 CB MET A 45 0.057 -6.741 1.439 1.00 0.00 C ATOM 606 CG MET A 45 -0.043 -5.613 0.411 1.00 0.00 C ATOM 607 SD MET A 45 0.386 -6.225 -1.210 1.00 0.00 S ATOM 608 CE MET A 45 2.112 -5.777 -1.264 1.00 0.00 C ATOM 0 H MET A 45 -1.769 -7.334 3.386 1.00 0.00 H new ATOM 0 HA MET A 45 -1.679 -7.538 0.430 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.171 -6.319 2.437 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.947 -7.339 1.243 1.00 0.00 H new ATOM 0 HG2 MET A 45 -1.055 -5.209 0.400 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.624 -4.797 0.689 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.481 -5.874 -2.285 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.231 -4.746 -0.932 1.00 0.00 H new ATOM 0 HE3 MET A 45 2.680 -6.437 -0.609 1.00 0.00 H new ATOM 618 N ILE A 46 -0.236 -9.666 0.511 1.00 0.00 N ATOM 619 CA ILE A 46 0.205 -11.050 0.542 1.00 0.00 C ATOM 620 C ILE A 46 1.581 -11.158 -0.118 1.00 0.00 C ATOM 621 O ILE A 46 1.715 -10.945 -1.322 1.00 0.00 O ATOM 622 CB ILE A 46 -0.851 -11.963 -0.086 1.00 0.00 C ATOM 623 CG1 ILE A 46 -2.169 -11.889 0.687 1.00 0.00 C ATOM 624 CG2 ILE A 46 -0.335 -13.398 -0.204 1.00 0.00 C ATOM 625 CD1 ILE A 46 -2.197 -12.915 1.822 1.00 0.00 C ATOM 0 H ILE A 46 -0.099 -9.195 -0.383 1.00 0.00 H new ATOM 0 HA ILE A 46 0.317 -11.391 1.571 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.051 -11.609 -1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.300 -10.887 1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.003 -12.069 0.009 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.105 -14.026 -0.653 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.557 -13.414 -0.830 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.089 -13.779 0.787 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.145 -12.841 2.356 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.090 -13.918 1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.376 -12.717 2.511 1.00 0.00 H new ATOM 637 N ALA A 47 2.570 -11.488 0.701 1.00 0.00 N ATOM 638 CA ALA A 47 3.931 -11.626 0.212 1.00 0.00 C ATOM 639 C ALA A 47 4.352 -13.095 0.296 1.00 0.00 C ATOM 640 O ALA A 47 4.516 -13.757 -0.727 1.00 0.00 O ATOM 641 CB ALA A 47 4.857 -10.708 1.012 1.00 0.00 C ATOM 0 H ALA A 47 2.455 -11.664 1.699 1.00 0.00 H new ATOM 0 HA ALA A 47 3.996 -11.323 -0.833 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.878 -10.812 0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.533 -9.674 0.896 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.821 -10.984 2.066 1.00 0.00 H new ATOM 647 N MET A 48 4.514 -13.561 1.526 1.00 0.00 N ATOM 648 CA MET A 48 4.912 -14.939 1.757 1.00 0.00 C ATOM 649 C MET A 48 3.788 -15.730 2.429 1.00 0.00 C ATOM 650 O MET A 48 3.842 -15.996 3.629 1.00 0.00 O ATOM 651 CB MET A 48 6.158 -14.969 2.644 1.00 0.00 C ATOM 652 CG MET A 48 7.434 -14.955 1.799 1.00 0.00 C ATOM 653 SD MET A 48 8.298 -16.506 1.974 1.00 0.00 S ATOM 654 CE MET A 48 9.946 -15.907 2.308 1.00 0.00 C ATOM 0 H MET A 48 4.377 -13.009 2.373 1.00 0.00 H new ATOM 0 HA MET A 48 5.129 -15.400 0.794 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.152 -14.110 3.314 1.00 0.00 H new ATOM 0 HB3 MET A 48 6.142 -15.861 3.270 1.00 0.00 H new ATOM 0 HG2 MET A 48 7.185 -14.784 0.752 1.00 0.00 H new ATOM 0 HG3 MET A 48 8.078 -14.133 2.112 1.00 0.00 H new ATOM 0 HE1 MET A 48 10.620 -16.753 2.445 1.00 0.00 H new ATOM 0 HE2 MET A 48 10.290 -15.301 1.470 1.00 0.00 H new ATOM 0 HE3 MET A 48 9.936 -15.301 3.214 1.00 0.00 H new ATOM 664 N LYS A 49 2.794 -16.083 1.627 1.00 0.00 N ATOM 665 CA LYS A 49 1.659 -16.838 2.129 1.00 0.00 C ATOM 666 C LYS A 49 1.256 -16.292 3.500 1.00 0.00 C ATOM 667 O LYS A 49 0.739 -17.029 4.339 1.00 0.00 O ATOM 668 CB LYS A 49 1.970 -18.336 2.131 1.00 0.00 C ATOM 669 CG LYS A 49 1.204 -19.056 1.019 1.00 0.00 C ATOM 670 CD LYS A 49 -0.022 -19.781 1.578 1.00 0.00 C ATOM 671 CE LYS A 49 -1.264 -19.487 0.736 1.00 0.00 C ATOM 672 NZ LYS A 49 -2.460 -19.365 1.600 1.00 0.00 N ATOM 0 H LYS A 49 2.751 -15.860 0.633 1.00 0.00 H new ATOM 0 HA LYS A 49 0.799 -16.716 1.471 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.041 -18.489 1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.704 -18.765 3.097 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.892 -18.336 0.263 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.861 -19.772 0.525 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.163 -20.855 1.596 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.195 -19.470 2.608 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.119 -18.565 0.173 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.414 -20.284 0.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.294 -19.165 1.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.606 -20.255 2.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.321 -18.589 2.278 1.00 0.00 H new ATOM 686 N MET A 50 1.506 -15.004 3.686 1.00 0.00 N ATOM 687 CA MET A 50 1.175 -14.351 4.941 1.00 0.00 C ATOM 688 C MET A 50 0.407 -13.050 4.696 1.00 0.00 C ATOM 689 O MET A 50 0.639 -12.366 3.701 1.00 0.00 O ATOM 690 CB MET A 50 2.461 -14.047 5.713 1.00 0.00 C ATOM 691 CG MET A 50 2.984 -15.299 6.420 1.00 0.00 C ATOM 692 SD MET A 50 2.689 -15.177 8.176 1.00 0.00 S ATOM 693 CE MET A 50 4.304 -15.618 8.794 1.00 0.00 C ATOM 0 H MET A 50 1.934 -14.395 2.988 1.00 0.00 H new ATOM 0 HA MET A 50 0.542 -15.021 5.522 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.220 -13.668 5.028 1.00 0.00 H new ATOM 0 HB3 MET A 50 2.273 -13.263 6.446 1.00 0.00 H new ATOM 0 HG2 MET A 50 2.490 -16.185 6.021 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.051 -15.415 6.229 1.00 0.00 H new ATOM 0 HE1 MET A 50 4.296 -15.592 9.884 1.00 0.00 H new ATOM 0 HE2 MET A 50 4.561 -16.622 8.457 1.00 0.00 H new ATOM 0 HE3 MET A 50 5.043 -14.910 8.419 1.00 0.00 H new ATOM 703 N GLU A 51 -0.491 -12.748 5.622 1.00 0.00 N ATOM 704 CA GLU A 51 -1.294 -11.542 5.520 1.00 0.00 C ATOM 705 C GLU A 51 -0.641 -10.401 6.303 1.00 0.00 C ATOM 706 O GLU A 51 -0.381 -10.533 7.498 1.00 0.00 O ATOM 707 CB GLU A 51 -2.724 -11.792 6.005 1.00 0.00 C ATOM 708 CG GLU A 51 -3.408 -12.869 5.162 1.00 0.00 C ATOM 709 CD GLU A 51 -3.902 -14.021 6.039 1.00 0.00 C ATOM 710 OE1 GLU A 51 -4.967 -13.839 6.669 1.00 0.00 O ATOM 711 OE2 GLU A 51 -3.204 -15.057 6.061 1.00 0.00 O ATOM 0 H GLU A 51 -0.680 -13.318 6.447 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.347 -11.252 4.470 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.709 -12.099 7.051 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.297 -10.866 5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.248 -12.433 4.621 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.711 -13.249 4.415 1.00 0.00 H new ATOM 718 N HIS A 52 -0.395 -9.306 5.597 1.00 0.00 N ATOM 719 CA HIS A 52 0.222 -8.143 6.211 1.00 0.00 C ATOM 720 C HIS A 52 -0.801 -7.010 6.307 1.00 0.00 C ATOM 721 O HIS A 52 -1.185 -6.428 5.294 1.00 0.00 O ATOM 722 CB HIS A 52 1.488 -7.737 5.454 1.00 0.00 C ATOM 723 CG HIS A 52 2.282 -8.903 4.915 1.00 0.00 C ATOM 724 ND1 HIS A 52 2.672 -9.972 5.702 1.00 0.00 N ATOM 725 CD2 HIS A 52 2.752 -9.156 3.660 1.00 0.00 C ATOM 726 CE1 HIS A 52 3.348 -10.824 4.945 1.00 0.00 C ATOM 727 NE2 HIS A 52 3.397 -10.317 3.680 1.00 0.00 N ATOM 0 H HIS A 52 -0.612 -9.200 4.606 1.00 0.00 H new ATOM 0 HA HIS A 52 0.538 -8.387 7.225 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.210 -7.086 4.625 1.00 0.00 H new ATOM 0 HB3 HIS A 52 2.125 -7.153 6.119 1.00 0.00 H new ATOM 0 HD1 HIS A 52 2.473 -10.085 6.696 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.622 -8.520 2.797 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.784 -11.756 5.272 1.00 0.00 H new ATOM 735 N THR A 53 -1.213 -6.730 7.535 1.00 0.00 N ATOM 736 CA THR A 53 -2.183 -5.676 7.777 1.00 0.00 C ATOM 737 C THR A 53 -1.488 -4.315 7.843 1.00 0.00 C ATOM 738 O THR A 53 -0.952 -3.937 8.883 1.00 0.00 O ATOM 739 CB THR A 53 -2.954 -6.027 9.051 1.00 0.00 C ATOM 740 OG1 THR A 53 -3.499 -7.316 8.784 1.00 0.00 O ATOM 741 CG2 THR A 53 -4.183 -5.138 9.255 1.00 0.00 C ATOM 0 H THR A 53 -0.892 -7.215 8.373 1.00 0.00 H new ATOM 0 HA THR A 53 -2.897 -5.601 6.957 1.00 0.00 H new ATOM 0 HB THR A 53 -2.292 -5.935 9.912 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.014 -7.621 9.560 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.694 -5.429 10.173 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.870 -4.096 9.328 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.861 -5.255 8.410 1.00 0.00 H new ATOM 749 N ILE A 54 -1.519 -3.616 6.717 1.00 0.00 N ATOM 750 CA ILE A 54 -0.898 -2.305 6.634 1.00 0.00 C ATOM 751 C ILE A 54 -1.726 -1.301 7.439 1.00 0.00 C ATOM 752 O ILE A 54 -2.696 -0.741 6.930 1.00 0.00 O ATOM 753 CB ILE A 54 -0.693 -1.901 5.173 1.00 0.00 C ATOM 754 CG1 ILE A 54 0.545 -2.581 4.584 1.00 0.00 C ATOM 755 CG2 ILE A 54 -0.635 -0.379 5.027 1.00 0.00 C ATOM 756 CD1 ILE A 54 0.212 -3.987 4.081 1.00 0.00 C ATOM 0 H ILE A 54 -1.964 -3.933 5.856 1.00 0.00 H new ATOM 0 HA ILE A 54 0.097 -2.326 7.078 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.553 -2.247 4.600 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.938 -1.981 3.763 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.328 -2.638 5.341 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.489 -0.119 3.979 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.569 0.056 5.382 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.194 0.012 5.617 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.109 -4.448 3.668 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.158 -4.592 4.909 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.553 -3.925 3.307 1.00 0.00 H new ATOM 768 N LYS A 55 -1.313 -1.104 8.682 1.00 0.00 N ATOM 769 CA LYS A 55 -2.004 -0.177 9.563 1.00 0.00 C ATOM 770 C LYS A 55 -1.545 1.250 9.257 1.00 0.00 C ATOM 771 O LYS A 55 -0.378 1.475 8.940 1.00 0.00 O ATOM 772 CB LYS A 55 -1.814 -0.584 11.025 1.00 0.00 C ATOM 773 CG LYS A 55 -2.601 -1.856 11.347 1.00 0.00 C ATOM 774 CD LYS A 55 -3.385 -1.700 12.652 1.00 0.00 C ATOM 775 CE LYS A 55 -4.340 -2.877 12.861 1.00 0.00 C ATOM 776 NZ LYS A 55 -3.950 -3.653 14.059 1.00 0.00 N ATOM 0 H LYS A 55 -0.508 -1.570 9.101 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.079 -0.212 9.384 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.755 -0.747 11.226 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.142 0.226 11.677 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.288 -2.080 10.531 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.917 -2.701 11.428 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.692 -1.635 13.491 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.950 -0.768 12.632 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.360 -2.510 12.974 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.329 -3.522 11.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.608 -4.448 14.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.984 -4.019 13.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.983 -3.038 14.897 1.00 0.00 H new ATOM 790 N SER A 56 -2.486 2.176 9.362 1.00 0.00 N ATOM 791 CA SER A 56 -2.192 3.575 9.101 1.00 0.00 C ATOM 792 C SER A 56 -1.089 4.062 10.042 1.00 0.00 C ATOM 793 O SER A 56 -1.093 3.741 11.229 1.00 0.00 O ATOM 794 CB SER A 56 -3.445 4.439 9.258 1.00 0.00 C ATOM 795 OG SER A 56 -3.500 5.481 8.288 1.00 0.00 O ATOM 0 H SER A 56 -3.453 1.985 9.624 1.00 0.00 H new ATOM 0 HA SER A 56 -1.848 3.666 8.071 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.332 3.812 9.167 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.463 4.873 10.258 1.00 0.00 H new ATOM 0 HG SER A 56 -3.339 6.343 8.725 1.00 0.00 H new ATOM 801 N PRO A 57 -0.145 4.851 9.461 1.00 0.00 N ATOM 802 CA PRO A 57 0.962 5.386 10.234 1.00 0.00 C ATOM 803 C PRO A 57 0.500 6.538 11.128 1.00 0.00 C ATOM 804 O PRO A 57 1.129 6.832 12.144 1.00 0.00 O ATOM 805 CB PRO A 57 1.994 5.812 9.202 1.00 0.00 C ATOM 806 CG PRO A 57 1.242 5.930 7.886 1.00 0.00 C ATOM 807 CD PRO A 57 -0.107 5.252 8.057 1.00 0.00 C ATOM 0 HA PRO A 57 1.386 4.655 10.923 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.452 6.762 9.477 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.798 5.080 9.128 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.111 6.977 7.614 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.806 5.460 7.081 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.925 5.931 7.817 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.204 4.390 7.396 1.00 0.00 H new ATOM 815 N LYS A 58 -0.595 7.161 10.718 1.00 0.00 N ATOM 816 CA LYS A 58 -1.149 8.274 11.469 1.00 0.00 C ATOM 817 C LYS A 58 -2.576 8.548 10.990 1.00 0.00 C ATOM 818 O LYS A 58 -3.068 7.880 10.082 1.00 0.00 O ATOM 819 CB LYS A 58 -0.226 9.492 11.381 1.00 0.00 C ATOM 820 CG LYS A 58 -0.425 10.236 10.059 1.00 0.00 C ATOM 821 CD LYS A 58 0.851 10.973 9.647 1.00 0.00 C ATOM 822 CE LYS A 58 1.803 10.042 8.893 1.00 0.00 C ATOM 823 NZ LYS A 58 2.809 10.827 8.143 1.00 0.00 N ATOM 0 H LYS A 58 -1.114 6.916 9.875 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.211 8.025 12.528 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.426 10.165 12.215 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.812 9.173 11.470 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.709 9.529 9.279 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.245 10.948 10.158 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.596 11.825 9.017 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.349 11.368 10.532 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.303 9.376 9.596 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.238 9.413 8.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.447 10.180 7.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.328 11.444 7.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.360 11.409 8.806 1.00 0.00 H new ATOM 837 N ASP A 59 -3.199 9.533 11.621 1.00 0.00 N ATOM 838 CA ASP A 59 -4.559 9.903 11.270 1.00 0.00 C ATOM 839 C ASP A 59 -4.540 10.749 9.995 1.00 0.00 C ATOM 840 O ASP A 59 -3.558 11.433 9.714 1.00 0.00 O ATOM 841 CB ASP A 59 -5.208 10.734 12.379 1.00 0.00 C ATOM 842 CG ASP A 59 -4.279 11.745 13.056 1.00 0.00 C ATOM 843 OD1 ASP A 59 -3.969 12.760 12.397 1.00 0.00 O ATOM 844 OD2 ASP A 59 -3.902 11.479 14.217 1.00 0.00 O ATOM 0 H ASP A 59 -2.787 10.086 12.373 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.131 8.986 11.125 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.060 11.270 11.960 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.599 10.057 13.138 1.00 0.00 H new ATOM 849 N GLY A 60 -5.638 10.674 9.257 1.00 0.00 N ATOM 850 CA GLY A 60 -5.760 11.424 8.018 1.00 0.00 C ATOM 851 C GLY A 60 -6.924 10.903 7.173 1.00 0.00 C ATOM 852 O GLY A 60 -7.523 9.879 7.500 1.00 0.00 O ATOM 0 H GLY A 60 -6.451 10.105 9.493 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.913 12.480 8.242 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.832 11.349 7.451 1.00 0.00 H new ATOM 856 N THR A 61 -7.210 11.631 6.104 1.00 0.00 N ATOM 857 CA THR A 61 -8.292 11.255 5.210 1.00 0.00 C ATOM 858 C THR A 61 -7.740 10.876 3.835 1.00 0.00 C ATOM 859 O THR A 61 -7.321 11.744 3.070 1.00 0.00 O ATOM 860 CB THR A 61 -9.293 12.411 5.166 1.00 0.00 C ATOM 861 OG1 THR A 61 -10.040 12.270 6.371 1.00 0.00 O ATOM 862 CG2 THR A 61 -10.335 12.242 4.058 1.00 0.00 C ATOM 0 H THR A 61 -6.711 12.480 5.837 1.00 0.00 H new ATOM 0 HA THR A 61 -8.814 10.369 5.571 1.00 0.00 H new ATOM 0 HB THR A 61 -8.758 13.349 5.020 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.712 12.981 6.424 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.021 13.089 4.071 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.834 12.195 3.091 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.894 11.321 4.222 1.00 0.00 H new ATOM 870 N VAL A 62 -7.757 9.580 3.562 1.00 0.00 N ATOM 871 CA VAL A 62 -7.263 9.076 2.291 1.00 0.00 C ATOM 872 C VAL A 62 -7.767 9.975 1.160 1.00 0.00 C ATOM 873 O VAL A 62 -8.973 10.152 0.993 1.00 0.00 O ATOM 874 CB VAL A 62 -7.669 7.611 2.117 1.00 0.00 C ATOM 875 CG1 VAL A 62 -7.188 7.066 0.770 1.00 0.00 C ATOM 876 CG2 VAL A 62 -7.147 6.755 3.272 1.00 0.00 C ATOM 0 H VAL A 62 -8.105 8.863 4.199 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.174 9.103 2.266 1.00 0.00 H new ATOM 0 HB VAL A 62 -8.758 7.562 2.130 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.489 6.023 0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.630 7.650 -0.037 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.102 7.137 0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.450 5.719 3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.059 6.814 3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.559 7.122 4.212 1.00 0.00 H new ATOM 886 N LYS A 63 -6.818 10.519 0.413 1.00 0.00 N ATOM 887 CA LYS A 63 -7.150 11.395 -0.697 1.00 0.00 C ATOM 888 C LYS A 63 -7.419 10.551 -1.945 1.00 0.00 C ATOM 889 O LYS A 63 -8.490 10.644 -2.542 1.00 0.00 O ATOM 890 CB LYS A 63 -6.059 12.450 -0.892 1.00 0.00 C ATOM 891 CG LYS A 63 -6.353 13.323 -2.114 1.00 0.00 C ATOM 892 CD LYS A 63 -5.278 14.399 -2.290 1.00 0.00 C ATOM 893 CE LYS A 63 -5.440 15.120 -3.630 1.00 0.00 C ATOM 894 NZ LYS A 63 -5.513 16.584 -3.424 1.00 0.00 N ATOM 0 H LYS A 63 -5.819 10.370 0.555 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.064 11.950 -0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.990 13.075 -0.002 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.093 11.961 -1.014 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.399 12.701 -3.008 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.330 13.794 -2.003 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.342 15.120 -1.475 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.289 13.943 -2.235 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.601 14.880 -4.283 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.343 14.772 -4.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.623 17.059 -4.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.328 16.809 -2.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.640 16.914 -2.966 1.00 0.00 H new ATOM 908 N LYS A 64 -6.428 9.746 -2.301 1.00 0.00 N ATOM 909 CA LYS A 64 -6.545 8.886 -3.466 1.00 0.00 C ATOM 910 C LYS A 64 -5.722 7.616 -3.242 1.00 0.00 C ATOM 911 O LYS A 64 -4.636 7.670 -2.666 1.00 0.00 O ATOM 912 CB LYS A 64 -6.163 9.650 -4.736 1.00 0.00 C ATOM 913 CG LYS A 64 -6.077 8.707 -5.938 1.00 0.00 C ATOM 914 CD LYS A 64 -4.647 8.637 -6.478 1.00 0.00 C ATOM 915 CE LYS A 64 -4.563 7.703 -7.687 1.00 0.00 C ATOM 916 NZ LYS A 64 -4.764 8.460 -8.942 1.00 0.00 N ATOM 0 H LYS A 64 -5.541 9.672 -1.803 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.580 8.575 -3.607 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.900 10.429 -4.932 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.204 10.148 -4.591 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.409 7.710 -5.647 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.750 9.051 -6.724 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.312 9.635 -6.761 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.975 8.285 -5.695 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.592 7.209 -7.705 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.317 6.921 -7.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.704 7.811 -9.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.701 8.912 -8.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.029 9.191 -9.028 1.00 0.00 H new ATOM 930 N VAL A 65 -6.270 6.504 -3.708 1.00 0.00 N ATOM 931 CA VAL A 65 -5.600 5.223 -3.566 1.00 0.00 C ATOM 932 C VAL A 65 -4.767 4.945 -4.819 1.00 0.00 C ATOM 933 O VAL A 65 -4.963 5.583 -5.853 1.00 0.00 O ATOM 934 CB VAL A 65 -6.625 4.125 -3.275 1.00 0.00 C ATOM 935 CG1 VAL A 65 -5.935 2.783 -3.024 1.00 0.00 C ATOM 936 CG2 VAL A 65 -7.521 4.510 -2.096 1.00 0.00 C ATOM 0 H VAL A 65 -7.171 6.464 -4.185 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.915 5.243 -2.718 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.258 4.016 -4.155 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.686 2.020 -2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.360 2.499 -3.905 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.266 2.872 -2.168 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.240 3.713 -1.910 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.908 4.660 -1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.054 5.432 -2.330 1.00 0.00 H new ATOM 946 N PHE A 66 -3.855 3.994 -4.686 1.00 0.00 N ATOM 947 CA PHE A 66 -2.991 3.624 -5.794 1.00 0.00 C ATOM 948 C PHE A 66 -3.166 2.149 -6.158 1.00 0.00 C ATOM 949 O PHE A 66 -3.126 1.786 -7.333 1.00 0.00 O ATOM 950 CB PHE A 66 -1.550 3.857 -5.336 1.00 0.00 C ATOM 951 CG PHE A 66 -1.174 5.333 -5.188 1.00 0.00 C ATOM 952 CD1 PHE A 66 -1.101 6.129 -6.288 1.00 0.00 C ATOM 953 CD2 PHE A 66 -0.913 5.848 -3.957 1.00 0.00 C ATOM 954 CE1 PHE A 66 -0.752 7.499 -6.151 1.00 0.00 C ATOM 955 CE2 PHE A 66 -0.564 7.218 -3.820 1.00 0.00 C ATOM 956 CZ PHE A 66 -0.491 8.014 -4.920 1.00 0.00 C ATOM 0 H PHE A 66 -3.695 3.468 -3.827 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.239 4.219 -6.673 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.398 3.357 -4.380 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.873 3.390 -6.051 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.308 5.720 -7.266 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.971 5.215 -3.084 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.694 8.132 -7.024 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.357 7.627 -2.842 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.226 9.056 -4.816 1.00 0.00 H new ATOM 966 N TYR A 67 -3.356 1.337 -5.128 1.00 0.00 N ATOM 967 CA TYR A 67 -3.538 -0.091 -5.324 1.00 0.00 C ATOM 968 C TYR A 67 -4.837 -0.573 -4.674 1.00 0.00 C ATOM 969 O TYR A 67 -5.175 -0.153 -3.569 1.00 0.00 O ATOM 970 CB TYR A 67 -2.353 -0.766 -4.630 1.00 0.00 C ATOM 971 CG TYR A 67 -0.992 -0.400 -5.225 1.00 0.00 C ATOM 972 CD1 TYR A 67 -0.743 -0.619 -6.565 1.00 0.00 C ATOM 973 CD2 TYR A 67 -0.013 0.150 -4.423 1.00 0.00 C ATOM 974 CE1 TYR A 67 0.537 -0.274 -7.125 1.00 0.00 C ATOM 975 CE2 TYR A 67 1.268 0.495 -4.983 1.00 0.00 C ATOM 976 CZ TYR A 67 1.480 0.266 -6.306 1.00 0.00 C ATOM 977 OH TYR A 67 2.690 0.591 -6.835 1.00 0.00 O ATOM 0 H TYR A 67 -3.388 1.641 -4.155 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.591 -0.329 -6.386 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.361 -0.495 -3.574 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.482 -1.847 -4.683 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.509 -1.049 -7.193 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.208 0.322 -3.375 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.744 -0.440 -8.172 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.043 0.926 -4.366 1.00 0.00 H new ATOM 0 HH TYR A 67 2.922 1.509 -6.582 1.00 0.00 H new ATOM 987 N ARG A 68 -5.529 -1.449 -5.388 1.00 0.00 N ATOM 988 CA ARG A 68 -6.782 -1.993 -4.895 1.00 0.00 C ATOM 989 C ARG A 68 -6.648 -3.497 -4.648 1.00 0.00 C ATOM 990 O ARG A 68 -5.545 -4.039 -4.684 1.00 0.00 O ATOM 991 CB ARG A 68 -7.919 -1.745 -5.889 1.00 0.00 C ATOM 992 CG ARG A 68 -7.949 -0.282 -6.335 1.00 0.00 C ATOM 993 CD ARG A 68 -9.383 0.246 -6.388 1.00 0.00 C ATOM 994 NE ARG A 68 -9.695 0.729 -7.752 1.00 0.00 N ATOM 995 CZ ARG A 68 -9.879 -0.074 -8.809 1.00 0.00 C ATOM 996 NH1 ARG A 68 -9.783 -1.403 -8.666 1.00 0.00 N ATOM 997 NH2 ARG A 68 -10.159 0.452 -10.009 1.00 0.00 N ATOM 0 H ARG A 68 -5.245 -1.795 -6.304 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.017 -1.488 -3.958 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.794 -2.391 -6.758 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.872 -2.008 -5.430 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.360 0.324 -5.646 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.487 -0.188 -7.318 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.080 -0.542 -6.104 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.508 1.056 -5.669 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.775 1.736 -7.896 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.570 -1.804 -7.752 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.923 -2.014 -9.471 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.232 1.464 -10.118 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.299 -0.159 -10.814 1.00 0.00 H new ATOM 1011 N GLU A 69 -7.787 -4.128 -4.403 1.00 0.00 N ATOM 1012 CA GLU A 69 -7.811 -5.558 -4.150 1.00 0.00 C ATOM 1013 C GLU A 69 -7.280 -6.321 -5.366 1.00 0.00 C ATOM 1014 O GLU A 69 -7.693 -6.061 -6.495 1.00 0.00 O ATOM 1015 CB GLU A 69 -9.219 -6.027 -3.781 1.00 0.00 C ATOM 1016 CG GLU A 69 -9.847 -5.105 -2.734 1.00 0.00 C ATOM 1017 CD GLU A 69 -11.244 -4.655 -3.167 1.00 0.00 C ATOM 1018 OE1 GLU A 69 -12.117 -5.543 -3.279 1.00 0.00 O ATOM 1019 OE2 GLU A 69 -11.408 -3.433 -3.375 1.00 0.00 O ATOM 0 H GLU A 69 -8.700 -3.675 -4.374 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.160 -5.767 -3.301 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.844 -6.049 -4.673 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.178 -7.046 -3.396 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.908 -5.624 -1.777 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.211 -4.233 -2.583 1.00 0.00 H new ATOM 1026 N GLY A 70 -6.373 -7.247 -5.093 1.00 0.00 N ATOM 1027 CA GLY A 70 -5.781 -8.049 -6.151 1.00 0.00 C ATOM 1028 C GLY A 70 -4.787 -7.227 -6.972 1.00 0.00 C ATOM 1029 O GLY A 70 -4.614 -7.467 -8.166 1.00 0.00 O ATOM 0 H GLY A 70 -6.033 -7.460 -4.155 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.275 -8.912 -5.718 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.566 -8.434 -6.803 1.00 0.00 H new ATOM 1033 N ALA A 71 -4.159 -6.273 -6.300 1.00 0.00 N ATOM 1034 CA ALA A 71 -3.186 -5.413 -6.952 1.00 0.00 C ATOM 1035 C ALA A 71 -1.775 -5.870 -6.577 1.00 0.00 C ATOM 1036 O ALA A 71 -1.569 -6.448 -5.511 1.00 0.00 O ATOM 1037 CB ALA A 71 -3.450 -3.957 -6.564 1.00 0.00 C ATOM 0 H ALA A 71 -4.305 -6.077 -5.310 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.278 -5.483 -8.036 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.720 -3.312 -7.053 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.454 -3.673 -6.879 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.364 -3.847 -5.483 1.00 0.00 H new ATOM 1043 N GLN A 72 -0.840 -5.594 -7.474 1.00 0.00 N ATOM 1044 CA GLN A 72 0.546 -5.969 -7.250 1.00 0.00 C ATOM 1045 C GLN A 72 1.380 -4.736 -6.900 1.00 0.00 C ATOM 1046 O GLN A 72 1.573 -3.855 -7.736 1.00 0.00 O ATOM 1047 CB GLN A 72 1.122 -6.692 -8.470 1.00 0.00 C ATOM 1048 CG GLN A 72 2.651 -6.700 -8.430 1.00 0.00 C ATOM 1049 CD GLN A 72 3.204 -8.051 -8.889 1.00 0.00 C ATOM 1050 OE1 GLN A 72 3.451 -8.284 -10.061 1.00 0.00 O ATOM 1051 NE2 GLN A 72 3.384 -8.925 -7.903 1.00 0.00 N ATOM 0 H GLN A 72 -1.015 -5.115 -8.357 1.00 0.00 H new ATOM 0 HA GLN A 72 0.583 -6.660 -6.407 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.750 -7.716 -8.500 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.781 -6.202 -9.382 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.039 -5.908 -9.070 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.993 -6.488 -7.417 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.157 -8.665 -6.943 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.749 -9.855 -8.106 1.00 0.00 H new ATOM 1060 N ALA A 73 1.852 -4.712 -5.662 1.00 0.00 N ATOM 1061 CA ALA A 73 2.661 -3.601 -5.190 1.00 0.00 C ATOM 1062 C ALA A 73 4.124 -4.041 -5.106 1.00 0.00 C ATOM 1063 O ALA A 73 4.417 -5.235 -5.098 1.00 0.00 O ATOM 1064 CB ALA A 73 2.121 -3.111 -3.845 1.00 0.00 C ATOM 0 H ALA A 73 1.689 -5.445 -4.971 1.00 0.00 H new ATOM 0 HA ALA A 73 2.608 -2.764 -5.887 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.728 -2.278 -3.491 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.089 -2.783 -3.965 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.161 -3.923 -3.119 1.00 0.00 H new ATOM 1070 N ASN A 74 5.003 -3.052 -5.044 1.00 0.00 N ATOM 1071 CA ASN A 74 6.428 -3.322 -4.961 1.00 0.00 C ATOM 1072 C ASN A 74 6.973 -2.758 -3.647 1.00 0.00 C ATOM 1073 O ASN A 74 6.287 -2.005 -2.958 1.00 0.00 O ATOM 1074 CB ASN A 74 7.184 -2.653 -6.111 1.00 0.00 C ATOM 1075 CG ASN A 74 7.950 -3.688 -6.938 1.00 0.00 C ATOM 1076 OD1 ASN A 74 7.498 -4.798 -7.165 1.00 0.00 O ATOM 1077 ND2 ASN A 74 9.133 -3.264 -7.373 1.00 0.00 N ATOM 0 H ASN A 74 4.756 -2.062 -5.050 1.00 0.00 H new ATOM 0 HA ASN A 74 6.570 -4.401 -5.015 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.482 -2.119 -6.751 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.879 -1.914 -5.713 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.722 -3.881 -7.933 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.452 -2.322 -7.147 1.00 0.00 H new ATOM 1084 N ARG A 75 8.203 -3.145 -3.339 1.00 0.00 N ATOM 1085 CA ARG A 75 8.848 -2.688 -2.120 1.00 0.00 C ATOM 1086 C ARG A 75 9.164 -1.194 -2.215 1.00 0.00 C ATOM 1087 O ARG A 75 9.885 -0.764 -3.114 1.00 0.00 O ATOM 1088 CB ARG A 75 10.142 -3.460 -1.859 1.00 0.00 C ATOM 1089 CG ARG A 75 10.721 -3.113 -0.485 1.00 0.00 C ATOM 1090 CD ARG A 75 11.365 -4.339 0.165 1.00 0.00 C ATOM 1091 NE ARG A 75 12.759 -4.032 0.555 1.00 0.00 N ATOM 1092 CZ ARG A 75 13.811 -4.142 -0.267 1.00 0.00 C ATOM 1093 NH1 ARG A 75 13.634 -4.554 -1.530 1.00 0.00 N ATOM 1094 NH2 ARG A 75 15.040 -3.842 0.173 1.00 0.00 N ATOM 0 H ARG A 75 8.769 -3.770 -3.913 1.00 0.00 H new ATOM 0 HA ARG A 75 8.159 -2.866 -1.294 1.00 0.00 H new ATOM 0 HB2 ARG A 75 9.948 -4.531 -1.916 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.872 -3.226 -2.634 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.462 -2.321 -0.589 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.931 -2.728 0.160 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.791 -4.639 1.042 1.00 0.00 H new ATOM 0 HD3 ARG A 75 11.350 -5.179 -0.529 1.00 0.00 H new ATOM 0 HE ARG A 75 12.930 -3.717 1.510 1.00 0.00 H new ATOM 0 HH11 ARG A 75 12.698 -4.784 -1.865 1.00 0.00 H new ATOM 0 HH12 ARG A 75 14.435 -4.638 -2.156 1.00 0.00 H new ATOM 0 HH21 ARG A 75 15.175 -3.530 1.135 1.00 0.00 H new ATOM 0 HH22 ARG A 75 15.841 -3.926 -0.453 1.00 0.00 H new ATOM 1108 N HIS A 76 8.609 -0.443 -1.275 1.00 0.00 N ATOM 1109 CA HIS A 76 8.823 0.994 -1.241 1.00 0.00 C ATOM 1110 C HIS A 76 7.924 1.671 -2.277 1.00 0.00 C ATOM 1111 O HIS A 76 8.397 2.456 -3.097 1.00 0.00 O ATOM 1112 CB HIS A 76 10.304 1.327 -1.433 1.00 0.00 C ATOM 1113 CG HIS A 76 11.238 0.469 -0.614 1.00 0.00 C ATOM 1114 ND1 HIS A 76 12.486 0.077 -1.067 1.00 0.00 N ATOM 1115 CD2 HIS A 76 11.094 -0.068 0.631 1.00 0.00 C ATOM 1116 CE1 HIS A 76 13.058 -0.663 -0.128 1.00 0.00 C ATOM 1117 NE2 HIS A 76 12.193 -0.751 0.924 1.00 0.00 N ATOM 0 H HIS A 76 8.011 -0.803 -0.531 1.00 0.00 H new ATOM 0 HA HIS A 76 8.547 1.384 -0.261 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.557 1.217 -2.488 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.467 2.373 -1.174 1.00 0.00 H new ATOM 0 HD2 HIS A 76 10.231 0.044 1.271 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.036 -1.117 -0.185 1.00 0.00 H new ATOM 0 HE2 HIS A 76 12.363 -1.258 1.792 1.00 0.00 H new ATOM 1125 N THR A 77 6.642 1.343 -2.206 1.00 0.00 N ATOM 1126 CA THR A 77 5.672 1.909 -3.127 1.00 0.00 C ATOM 1127 C THR A 77 4.507 2.535 -2.357 1.00 0.00 C ATOM 1128 O THR A 77 4.241 2.161 -1.216 1.00 0.00 O ATOM 1129 CB THR A 77 5.238 0.806 -4.095 1.00 0.00 C ATOM 1130 OG1 THR A 77 4.721 -0.215 -3.247 1.00 0.00 O ATOM 1131 CG2 THR A 77 6.425 0.142 -4.796 1.00 0.00 C ATOM 0 H THR A 77 6.253 0.692 -1.524 1.00 0.00 H new ATOM 0 HA THR A 77 6.108 2.720 -3.711 1.00 0.00 H new ATOM 0 HB THR A 77 4.562 1.223 -4.842 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.257 -1.029 -3.351 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.062 -0.633 -5.471 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.976 0.890 -5.365 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.084 -0.305 -4.051 1.00 0.00 H new ATOM 1139 N PRO A 78 3.827 3.501 -3.030 1.00 0.00 N ATOM 1140 CA PRO A 78 2.697 4.182 -2.422 1.00 0.00 C ATOM 1141 C PRO A 78 1.461 3.280 -2.398 1.00 0.00 C ATOM 1142 O PRO A 78 1.089 2.704 -3.419 1.00 0.00 O ATOM 1143 CB PRO A 78 2.499 5.438 -3.255 1.00 0.00 C ATOM 1144 CG PRO A 78 3.220 5.184 -4.569 1.00 0.00 C ATOM 1145 CD PRO A 78 4.114 3.969 -4.383 1.00 0.00 C ATOM 0 HA PRO A 78 2.873 4.437 -1.377 1.00 0.00 H new ATOM 0 HB2 PRO A 78 1.440 5.633 -3.422 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.908 6.312 -2.748 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.502 5.011 -5.371 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.812 6.054 -4.854 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.895 3.199 -5.123 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.166 4.230 -4.497 1.00 0.00 H new ATOM 1153 N LEU A 79 0.860 3.186 -1.221 1.00 0.00 N ATOM 1154 CA LEU A 79 -0.326 2.364 -1.050 1.00 0.00 C ATOM 1155 C LEU A 79 -1.568 3.258 -1.063 1.00 0.00 C ATOM 1156 O LEU A 79 -2.494 3.030 -1.840 1.00 0.00 O ATOM 1157 CB LEU A 79 -0.203 1.500 0.206 1.00 0.00 C ATOM 1158 CG LEU A 79 1.088 0.690 0.340 1.00 0.00 C ATOM 1159 CD1 LEU A 79 1.363 0.334 1.802 1.00 0.00 C ATOM 1160 CD2 LEU A 79 1.051 -0.551 -0.555 1.00 0.00 C ATOM 0 H LEU A 79 1.172 3.665 -0.377 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.428 1.665 -1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.294 2.147 1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.046 0.809 0.232 1.00 0.00 H new ATOM 0 HG LEU A 79 1.917 1.310 -0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.286 -0.242 1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.462 1.249 2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.537 -0.259 2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.980 -1.109 -0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.211 -1.182 -0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.936 -0.246 -1.595 1.00 0.00 H new ATOM 1172 N VAL A 80 -1.547 4.257 -0.193 1.00 0.00 N ATOM 1173 CA VAL A 80 -2.659 5.187 -0.094 1.00 0.00 C ATOM 1174 C VAL A 80 -2.118 6.600 0.130 1.00 0.00 C ATOM 1175 O VAL A 80 -1.068 6.777 0.747 1.00 0.00 O ATOM 1176 CB VAL A 80 -3.623 4.734 1.004 1.00 0.00 C ATOM 1177 CG1 VAL A 80 -4.584 3.663 0.482 1.00 0.00 C ATOM 1178 CG2 VAL A 80 -2.860 4.235 2.232 1.00 0.00 C ATOM 0 H VAL A 80 -0.777 4.443 0.450 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.229 5.201 -1.023 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.216 5.597 1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.259 3.358 1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.164 4.068 -0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.015 2.799 0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.569 3.919 2.997 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.230 3.391 1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.237 5.038 2.624 1.00 0.00 H new ATOM 1188 N GLU A 81 -2.860 7.572 -0.382 1.00 0.00 N ATOM 1189 CA GLU A 81 -2.468 8.964 -0.245 1.00 0.00 C ATOM 1190 C GLU A 81 -3.367 9.671 0.771 1.00 0.00 C ATOM 1191 O GLU A 81 -4.577 9.449 0.795 1.00 0.00 O ATOM 1192 CB GLU A 81 -2.501 9.679 -1.597 1.00 0.00 C ATOM 1193 CG GLU A 81 -1.909 11.086 -1.489 1.00 0.00 C ATOM 1194 CD GLU A 81 -0.855 11.322 -2.572 1.00 0.00 C ATOM 1195 OE1 GLU A 81 -1.139 10.953 -3.731 1.00 0.00 O ATOM 1196 OE2 GLU A 81 0.212 11.867 -2.215 1.00 0.00 O ATOM 0 H GLU A 81 -3.730 7.422 -0.892 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.442 8.998 0.121 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.941 9.101 -2.332 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.529 9.740 -1.955 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.703 11.827 -1.582 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.461 11.221 -0.505 1.00 0.00 H new ATOM 1203 N PHE A 82 -2.741 10.508 1.585 1.00 0.00 N ATOM 1204 CA PHE A 82 -3.470 11.249 2.601 1.00 0.00 C ATOM 1205 C PHE A 82 -3.815 12.657 2.111 1.00 0.00 C ATOM 1206 O PHE A 82 -3.122 13.208 1.256 1.00 0.00 O ATOM 1207 CB PHE A 82 -2.553 11.357 3.821 1.00 0.00 C ATOM 1208 CG PHE A 82 -2.508 10.091 4.679 1.00 0.00 C ATOM 1209 CD1 PHE A 82 -3.663 9.464 5.028 1.00 0.00 C ATOM 1210 CD2 PHE A 82 -1.312 9.593 5.094 1.00 0.00 C ATOM 1211 CE1 PHE A 82 -3.621 8.290 5.824 1.00 0.00 C ATOM 1212 CE2 PHE A 82 -1.270 8.419 5.891 1.00 0.00 C ATOM 1213 CZ PHE A 82 -2.426 7.792 6.239 1.00 0.00 C ATOM 0 H PHE A 82 -1.738 10.690 1.562 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.403 10.737 2.837 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.543 11.591 3.484 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.885 12.191 4.439 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.613 9.860 4.699 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.394 10.091 4.817 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.539 7.792 6.100 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.321 8.024 6.221 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.394 6.899 6.845 1.00 0.00 H new ATOM 1223 N GLU A 83 -4.885 13.199 2.673 1.00 0.00 N ATOM 1224 CA GLU A 83 -5.330 14.532 2.304 1.00 0.00 C ATOM 1225 C GLU A 83 -4.387 15.587 2.887 1.00 0.00 C ATOM 1226 O GLU A 83 -3.580 15.286 3.765 1.00 0.00 O ATOM 1227 CB GLU A 83 -6.771 14.775 2.759 1.00 0.00 C ATOM 1228 CG GLU A 83 -7.768 14.214 1.743 1.00 0.00 C ATOM 1229 CD GLU A 83 -7.934 15.163 0.555 1.00 0.00 C ATOM 1230 OE1 GLU A 83 -6.980 15.932 0.306 1.00 0.00 O ATOM 1231 OE2 GLU A 83 -9.011 15.100 -0.076 1.00 0.00 O ATOM 0 H GLU A 83 -5.457 12.739 3.381 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.308 14.613 1.217 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.933 14.307 3.730 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.940 15.844 2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.425 13.241 1.391 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.733 14.056 2.224 1.00 0.00 H new