USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 480 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 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.76 K(o=-0.76,f=-1.4) USER MOD Single : A 24 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.64) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -148:sc= -0.92 (180deg=-1.96!) USER MOD Single : A 49 ASN : amide:sc= -1.29! C(o=-1.3!,f=-4.2!) USER MOD Single : A 51 ASN : amide:sc= -3.32 K(o=-3.3,f=-6.2!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -2.28 K(o=-2.3,f=-4.5!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 69 HIS : no HE2:sc= -1.33 K(o=-1.3,f=-5.7!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 176 N PRO A 16 1.720 -9.743 -3.610 1.00 0.00 N ATOM 177 CA PRO A 16 1.253 -8.489 -3.011 1.00 0.00 C ATOM 178 C PRO A 16 1.102 -7.376 -4.042 1.00 0.00 C ATOM 179 O PRO A 16 1.696 -7.428 -5.119 1.00 0.00 O ATOM 180 CB PRO A 16 2.356 -8.143 -2.008 1.00 0.00 C ATOM 181 CG PRO A 16 3.576 -8.812 -2.539 1.00 0.00 C ATOM 182 CD PRO A 16 3.099 -10.071 -3.209 1.00 0.00 C ATOM 0 HA PRO A 16 0.266 -8.595 -2.560 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.497 -7.065 -1.932 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.110 -8.504 -1.009 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.098 -8.167 -3.246 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.278 -9.039 -1.736 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.717 -10.327 -4.069 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.128 -10.923 -2.530 1.00 0.00 H new ATOM 190 N VAL A 17 0.303 -6.368 -3.705 1.00 0.00 N ATOM 191 CA VAL A 17 0.075 -5.241 -4.601 1.00 0.00 C ATOM 192 C VAL A 17 0.986 -4.069 -4.253 1.00 0.00 C ATOM 193 O VAL A 17 1.195 -3.759 -3.080 1.00 0.00 O ATOM 194 CB VAL A 17 -1.391 -4.771 -4.550 1.00 0.00 C ATOM 195 CG1 VAL A 17 -1.640 -3.685 -5.585 1.00 0.00 C ATOM 196 CG2 VAL A 17 -2.335 -5.945 -4.760 1.00 0.00 C ATOM 0 H VAL A 17 -0.197 -6.309 -2.818 1.00 0.00 H new ATOM 0 HA VAL A 17 0.303 -5.587 -5.609 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.585 -4.351 -3.563 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.681 -3.366 -5.534 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.989 -2.834 -5.384 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.429 -4.076 -6.580 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.366 -5.594 -4.721 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.142 -6.397 -5.733 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.174 -6.686 -3.977 1.00 0.00 H new ATOM 206 N PHE A 18 1.524 -3.420 -5.280 1.00 0.00 N ATOM 207 CA PHE A 18 2.414 -2.281 -5.083 1.00 0.00 C ATOM 208 C PHE A 18 1.771 -0.994 -5.592 1.00 0.00 C ATOM 209 O PHE A 18 1.243 -0.949 -6.703 1.00 0.00 O ATOM 210 CB PHE A 18 3.745 -2.517 -5.800 1.00 0.00 C ATOM 211 CG PHE A 18 4.660 -3.459 -5.070 1.00 0.00 C ATOM 212 CD1 PHE A 18 5.129 -3.149 -3.804 1.00 0.00 C ATOM 213 CD2 PHE A 18 5.051 -4.655 -5.651 1.00 0.00 C ATOM 214 CE1 PHE A 18 5.970 -4.014 -3.130 1.00 0.00 C ATOM 215 CE2 PHE A 18 5.891 -5.524 -4.982 1.00 0.00 C ATOM 216 CZ PHE A 18 6.353 -5.202 -3.720 1.00 0.00 C ATOM 0 H PHE A 18 1.360 -3.663 -6.257 1.00 0.00 H new ATOM 0 HA PHE A 18 2.598 -2.176 -4.014 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.547 -2.914 -6.796 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.252 -1.561 -5.933 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.834 -2.220 -3.338 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.695 -4.911 -6.638 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.327 -3.761 -2.143 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.186 -6.454 -5.445 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.012 -5.878 -3.196 1.00 0.00 H new ATOM 226 N ALA A 19 1.818 0.049 -4.769 1.00 0.00 N ATOM 227 CA ALA A 19 1.242 1.337 -5.135 1.00 0.00 C ATOM 228 C ALA A 19 2.165 2.484 -4.738 1.00 0.00 C ATOM 229 O ALA A 19 2.479 2.663 -3.561 1.00 0.00 O ATOM 230 CB ALA A 19 -0.124 1.507 -4.487 1.00 0.00 C ATOM 0 H ALA A 19 2.249 0.027 -3.845 1.00 0.00 H new ATOM 0 HA ALA A 19 1.123 1.360 -6.218 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.543 2.473 -4.769 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.788 0.711 -4.824 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.021 1.458 -3.403 1.00 0.00 H new ATOM 236 N LYS A 20 2.598 3.258 -5.727 1.00 0.00 N ATOM 237 CA LYS A 20 3.486 4.389 -5.482 1.00 0.00 C ATOM 238 C LYS A 20 2.692 5.622 -5.064 1.00 0.00 C ATOM 239 O LYS A 20 1.636 5.912 -5.626 1.00 0.00 O ATOM 240 CB LYS A 20 4.308 4.699 -6.734 1.00 0.00 C ATOM 241 CG LYS A 20 5.045 6.025 -6.665 1.00 0.00 C ATOM 242 CD LYS A 20 6.224 6.060 -7.624 1.00 0.00 C ATOM 243 CE LYS A 20 7.438 5.355 -7.039 1.00 0.00 C ATOM 244 NZ LYS A 20 8.712 5.911 -7.573 1.00 0.00 N ATOM 0 H LYS A 20 2.348 3.123 -6.707 1.00 0.00 H new ATOM 0 HA LYS A 20 4.161 4.120 -4.670 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.031 3.899 -6.891 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.647 4.705 -7.600 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.358 6.837 -6.903 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.398 6.194 -5.647 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.944 5.585 -8.564 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.478 7.095 -7.853 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.426 5.452 -5.953 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.383 4.290 -7.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.516 5.404 -7.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.735 5.796 -8.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.776 6.922 -7.336 1.00 0.00 H new ATOM 258 N ALA A 21 3.208 6.346 -4.076 1.00 0.00 N ATOM 259 CA ALA A 21 2.549 7.550 -3.586 1.00 0.00 C ATOM 260 C ALA A 21 2.785 8.727 -4.527 1.00 0.00 C ATOM 261 O ALA A 21 3.908 9.214 -4.657 1.00 0.00 O ATOM 262 CB ALA A 21 3.038 7.886 -2.185 1.00 0.00 C ATOM 0 H ALA A 21 4.081 6.119 -3.599 1.00 0.00 H new ATOM 0 HA ALA A 21 1.477 7.358 -3.549 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.538 8.787 -1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.812 7.058 -1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.115 8.053 -2.206 1.00 0.00 H new ATOM 268 N ILE A 22 1.720 9.178 -5.181 1.00 0.00 N ATOM 269 CA ILE A 22 1.812 10.297 -6.110 1.00 0.00 C ATOM 270 C ILE A 22 1.749 11.630 -5.372 1.00 0.00 C ATOM 271 O ILE A 22 2.163 12.662 -5.899 1.00 0.00 O ATOM 272 CB ILE A 22 0.688 10.251 -7.161 1.00 0.00 C ATOM 273 CG1 ILE A 22 -0.672 10.094 -6.478 1.00 0.00 C ATOM 274 CG2 ILE A 22 0.927 9.115 -8.144 1.00 0.00 C ATOM 275 CD1 ILE A 22 -1.821 10.664 -7.280 1.00 0.00 C ATOM 0 H ILE A 22 0.783 8.786 -5.085 1.00 0.00 H new ATOM 0 HA ILE A 22 2.774 10.209 -6.616 1.00 0.00 H new ATOM 0 HB ILE A 22 0.690 11.190 -7.714 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.857 9.036 -6.295 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.640 10.585 -5.505 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.124 9.096 -8.880 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.880 9.267 -8.651 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.949 8.167 -7.606 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.753 10.517 -6.735 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.659 11.730 -7.441 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.880 10.156 -8.243 1.00 0.00 H new ATOM 287 N GLN A 23 1.228 11.599 -4.150 1.00 0.00 N ATOM 288 CA GLN A 23 1.111 12.806 -3.339 1.00 0.00 C ATOM 289 C GLN A 23 1.704 12.588 -1.950 1.00 0.00 C ATOM 290 O GLN A 23 2.000 11.458 -1.560 1.00 0.00 O ATOM 291 CB GLN A 23 -0.355 13.226 -3.220 1.00 0.00 C ATOM 292 CG GLN A 23 -0.921 13.825 -4.497 1.00 0.00 C ATOM 293 CD GLN A 23 0.041 14.785 -5.168 1.00 0.00 C ATOM 294 OE1 GLN A 23 0.414 14.600 -6.327 1.00 0.00 O ATOM 295 NE2 GLN A 23 0.449 15.819 -4.441 1.00 0.00 N ATOM 0 H GLN A 23 0.880 10.752 -3.700 1.00 0.00 H new ATOM 0 HA GLN A 23 1.670 13.601 -3.833 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -0.952 12.358 -2.940 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.452 13.953 -2.413 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.170 13.022 -5.191 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.849 14.348 -4.268 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.114 15.933 -3.484 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.097 16.499 -4.839 1.00 0.00 H new ATOM 304 N LYS A 24 1.876 13.676 -1.208 1.00 0.00 N ATOM 305 CA LYS A 24 2.432 13.606 0.137 1.00 0.00 C ATOM 306 C LYS A 24 1.330 13.403 1.172 1.00 0.00 C ATOM 307 O LYS A 24 0.386 14.189 1.249 1.00 0.00 O ATOM 308 CB LYS A 24 3.216 14.881 0.455 1.00 0.00 C ATOM 309 CG LYS A 24 4.112 14.757 1.675 1.00 0.00 C ATOM 310 CD LYS A 24 5.125 15.888 1.740 1.00 0.00 C ATOM 311 CE LYS A 24 4.505 17.160 2.297 1.00 0.00 C ATOM 312 NZ LYS A 24 3.908 18.002 1.224 1.00 0.00 N ATOM 0 H LYS A 24 1.638 14.619 -1.516 1.00 0.00 H new ATOM 0 HA LYS A 24 3.108 12.752 0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.827 15.147 -0.408 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.514 15.699 0.612 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.501 14.762 2.578 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.634 13.801 1.648 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.967 15.589 2.364 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.521 16.081 0.743 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.736 16.901 3.025 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.266 17.733 2.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.362 18.938 1.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.056 17.545 0.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.888 18.112 1.396 1.00 0.00 H new ATOM 326 N ARG A 25 1.458 12.344 1.966 1.00 0.00 N ATOM 327 CA ARG A 25 0.473 12.039 2.997 1.00 0.00 C ATOM 328 C ARG A 25 0.916 12.584 4.351 1.00 0.00 C ATOM 329 O ARG A 25 1.984 12.236 4.853 1.00 0.00 O ATOM 330 CB ARG A 25 0.254 10.528 3.090 1.00 0.00 C ATOM 331 CG ARG A 25 -0.753 10.123 4.155 1.00 0.00 C ATOM 332 CD ARG A 25 -2.181 10.374 3.695 1.00 0.00 C ATOM 333 NE ARG A 25 -2.449 11.795 3.491 1.00 0.00 N ATOM 334 CZ ARG A 25 -2.795 12.625 4.469 1.00 0.00 C ATOM 335 NH1 ARG A 25 -2.915 12.178 5.711 1.00 0.00 N ATOM 336 NH2 ARG A 25 -3.023 13.906 4.204 1.00 0.00 N ATOM 0 H ARG A 25 2.234 11.684 1.915 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.466 12.520 2.722 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.085 10.158 2.122 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.207 10.043 3.300 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.627 9.067 4.394 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.561 10.682 5.071 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.363 9.834 2.766 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.875 9.977 4.435 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.366 12.171 2.546 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.742 11.194 5.918 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.181 12.818 6.460 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.933 14.253 3.249 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.289 14.543 4.955 1.00 0.00 H new ATOM 350 N VAL A 26 0.087 13.443 4.937 1.00 0.00 N ATOM 351 CA VAL A 26 0.392 14.036 6.233 1.00 0.00 C ATOM 352 C VAL A 26 -0.686 13.704 7.258 1.00 0.00 C ATOM 353 O VAL A 26 -1.698 14.395 7.378 1.00 0.00 O ATOM 354 CB VAL A 26 0.533 15.567 6.131 1.00 0.00 C ATOM 355 CG1 VAL A 26 0.844 16.167 7.493 1.00 0.00 C ATOM 356 CG2 VAL A 26 1.607 15.936 5.119 1.00 0.00 C ATOM 0 H VAL A 26 -0.801 13.743 4.534 1.00 0.00 H new ATOM 0 HA VAL A 26 1.342 13.611 6.559 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.416 15.980 5.787 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.940 17.249 7.401 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.037 15.932 8.187 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.778 15.751 7.869 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.693 17.021 5.059 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.562 15.512 5.431 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.337 15.539 4.140 1.00 0.00 H new ATOM 366 N PRO A 27 -0.468 12.619 8.016 1.00 0.00 N ATOM 367 CA PRO A 27 -1.410 12.170 9.045 1.00 0.00 C ATOM 368 C PRO A 27 -1.458 13.116 10.240 1.00 0.00 C ATOM 369 O PRO A 27 -0.471 13.781 10.557 1.00 0.00 O ATOM 370 CB PRO A 27 -0.854 10.807 9.465 1.00 0.00 C ATOM 371 CG PRO A 27 0.600 10.877 9.148 1.00 0.00 C ATOM 372 CD PRO A 27 0.716 11.748 7.927 1.00 0.00 C ATOM 0 HA PRO A 27 -2.433 12.132 8.671 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.019 10.622 10.526 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.339 9.997 8.921 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.162 11.298 9.982 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.006 9.883 8.959 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.641 12.325 7.931 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.713 11.158 7.011 1.00 0.00 H new ATOM 380 N CYS A 28 -2.609 13.171 10.900 1.00 0.00 N ATOM 381 CA CYS A 28 -2.785 14.037 12.060 1.00 0.00 C ATOM 382 C CYS A 28 -2.302 13.347 13.332 1.00 0.00 C ATOM 383 O CYS A 28 -2.328 12.121 13.432 1.00 0.00 O ATOM 384 CB CYS A 28 -4.255 14.434 12.208 1.00 0.00 C ATOM 385 SG CYS A 28 -4.750 15.829 11.170 1.00 0.00 S ATOM 0 H CYS A 28 -3.435 12.626 10.652 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.187 14.935 11.906 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.879 13.574 11.964 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.450 14.684 13.251 1.00 0.00 H new ATOM 0 HG CYS A 28 -6.009 16.088 11.363 1.00 0.00 H new ATOM 391 N ALA A 29 -1.860 14.143 14.299 1.00 0.00 N ATOM 392 CA ALA A 29 -1.371 13.609 15.564 1.00 0.00 C ATOM 393 C ALA A 29 -2.348 12.593 16.145 1.00 0.00 C ATOM 394 O ALA A 29 -1.971 11.463 16.458 1.00 0.00 O ATOM 395 CB ALA A 29 -1.129 14.738 16.555 1.00 0.00 C ATOM 0 H ALA A 29 -1.830 15.160 14.231 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.427 13.098 15.374 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.764 14.325 17.495 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.387 15.426 16.149 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.062 15.273 16.732 1.00 0.00 H new ATOM 401 N TYR A 30 -3.604 13.001 16.288 1.00 0.00 N ATOM 402 CA TYR A 30 -4.635 12.127 16.835 1.00 0.00 C ATOM 403 C TYR A 30 -4.755 10.847 16.014 1.00 0.00 C ATOM 404 O TYR A 30 -4.899 9.755 16.563 1.00 0.00 O ATOM 405 CB TYR A 30 -5.981 12.852 16.871 1.00 0.00 C ATOM 406 CG TYR A 30 -5.879 14.298 17.301 1.00 0.00 C ATOM 407 CD1 TYR A 30 -5.693 14.634 18.636 1.00 0.00 C ATOM 408 CD2 TYR A 30 -5.968 15.327 16.372 1.00 0.00 C ATOM 409 CE1 TYR A 30 -5.600 15.954 19.034 1.00 0.00 C ATOM 410 CE2 TYR A 30 -5.875 16.650 16.761 1.00 0.00 C ATOM 411 CZ TYR A 30 -5.692 16.958 18.092 1.00 0.00 C ATOM 412 OH TYR A 30 -5.598 18.274 18.484 1.00 0.00 O ATOM 0 H TYR A 30 -3.933 13.932 16.033 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.347 11.859 17.852 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.435 12.807 15.881 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -6.650 12.326 17.552 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -5.620 13.850 19.375 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -6.112 15.089 15.328 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.456 16.198 20.076 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -5.945 17.438 16.026 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.682 18.856 17.700 1.00 0.00 H new ATOM 422 N ASP A 31 -4.695 10.991 14.694 1.00 0.00 N ATOM 423 CA ASP A 31 -4.796 9.847 13.795 1.00 0.00 C ATOM 424 C ASP A 31 -3.519 9.012 13.833 1.00 0.00 C ATOM 425 O ASP A 31 -2.449 9.478 13.441 1.00 0.00 O ATOM 426 CB ASP A 31 -5.071 10.317 12.366 1.00 0.00 C ATOM 427 CG ASP A 31 -6.553 10.454 12.077 1.00 0.00 C ATOM 428 OD1 ASP A 31 -7.260 11.081 12.893 1.00 0.00 O ATOM 429 OD2 ASP A 31 -7.005 9.934 11.035 1.00 0.00 O ATOM 0 H ASP A 31 -4.577 11.888 14.223 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.626 9.225 14.130 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.581 11.277 12.202 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.630 9.610 11.663 1.00 0.00 H new ATOM 434 N LYS A 32 -3.639 7.777 14.308 1.00 0.00 N ATOM 435 CA LYS A 32 -2.496 6.877 14.397 1.00 0.00 C ATOM 436 C LYS A 32 -2.565 5.801 13.318 1.00 0.00 C ATOM 437 O LYS A 32 -1.539 5.292 12.867 1.00 0.00 O ATOM 438 CB LYS A 32 -2.442 6.224 15.780 1.00 0.00 C ATOM 439 CG LYS A 32 -1.737 7.070 16.825 1.00 0.00 C ATOM 440 CD LYS A 32 -0.244 6.790 16.856 1.00 0.00 C ATOM 441 CE LYS A 32 0.059 5.458 17.526 1.00 0.00 C ATOM 442 NZ LYS A 32 0.074 5.575 19.010 1.00 0.00 N ATOM 0 H LYS A 32 -4.517 7.376 14.637 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.590 7.464 14.243 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.459 6.019 16.116 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.934 5.263 15.699 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.906 8.126 16.613 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.166 6.869 17.807 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.148 6.784 15.839 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.267 7.592 17.390 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.688 4.723 17.227 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.025 5.089 17.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.284 4.647 19.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.804 6.258 19.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.856 5.903 19.342 1.00 0.00 H new ATOM 456 N THR A 33 -3.782 5.461 12.905 1.00 0.00 N ATOM 457 CA THR A 33 -3.985 4.446 11.878 1.00 0.00 C ATOM 458 C THR A 33 -3.574 4.964 10.505 1.00 0.00 C ATOM 459 O THR A 33 -3.290 4.185 9.596 1.00 0.00 O ATOM 460 CB THR A 33 -5.455 3.989 11.823 1.00 0.00 C ATOM 461 OG1 THR A 33 -6.312 5.118 11.623 1.00 0.00 O ATOM 462 CG2 THR A 33 -5.846 3.269 13.105 1.00 0.00 C ATOM 0 H THR A 33 -4.642 5.874 13.266 1.00 0.00 H new ATOM 0 HA THR A 33 -3.358 3.596 12.145 1.00 0.00 H new ATOM 0 HB THR A 33 -5.566 3.297 10.988 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.244 4.819 11.587 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.888 2.956 13.043 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.211 2.393 13.239 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.719 3.942 13.953 1.00 0.00 H new ATOM 470 N ALA A 34 -3.544 6.285 10.360 1.00 0.00 N ATOM 471 CA ALA A 34 -3.165 6.907 9.098 1.00 0.00 C ATOM 472 C ALA A 34 -1.660 6.811 8.868 1.00 0.00 C ATOM 473 O ALA A 34 -0.874 7.463 9.557 1.00 0.00 O ATOM 474 CB ALA A 34 -3.613 8.361 9.071 1.00 0.00 C ATOM 0 H ALA A 34 -3.778 6.945 11.102 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.664 6.369 8.292 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.323 8.813 8.123 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.696 8.410 9.181 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.141 8.903 9.891 1.00 0.00 H new ATOM 480 N LEU A 35 -1.266 5.994 7.898 1.00 0.00 N ATOM 481 CA LEU A 35 0.146 5.811 7.578 1.00 0.00 C ATOM 482 C LEU A 35 0.686 7.006 6.798 1.00 0.00 C ATOM 483 O LEU A 35 0.021 7.528 5.904 1.00 0.00 O ATOM 484 CB LEU A 35 0.344 4.528 6.770 1.00 0.00 C ATOM 485 CG LEU A 35 1.680 3.811 6.966 1.00 0.00 C ATOM 486 CD1 LEU A 35 1.802 2.637 6.006 1.00 0.00 C ATOM 487 CD2 LEU A 35 2.838 4.779 6.777 1.00 0.00 C ATOM 0 H LEU A 35 -1.904 5.448 7.319 1.00 0.00 H new ATOM 0 HA LEU A 35 0.699 5.732 8.514 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.458 3.835 7.024 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.235 4.768 5.712 1.00 0.00 H new ATOM 0 HG LEU A 35 1.717 3.426 7.985 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.759 2.139 6.160 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.992 1.931 6.190 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.742 2.999 4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.781 4.251 6.920 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.804 5.194 5.770 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.760 5.586 7.505 1.00 0.00 H new ATOM 499 N ALA A 36 1.897 7.431 7.141 1.00 0.00 N ATOM 500 CA ALA A 36 2.528 8.561 6.471 1.00 0.00 C ATOM 501 C ALA A 36 3.462 8.089 5.361 1.00 0.00 C ATOM 502 O ALA A 36 4.197 7.114 5.527 1.00 0.00 O ATOM 503 CB ALA A 36 3.289 9.414 7.476 1.00 0.00 C ATOM 0 H ALA A 36 2.461 7.010 7.879 1.00 0.00 H new ATOM 0 HA ALA A 36 1.743 9.167 6.018 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.755 10.254 6.961 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.599 9.789 8.231 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.059 8.810 7.956 1.00 0.00 H new ATOM 509 N LEU A 37 3.428 8.784 4.230 1.00 0.00 N ATOM 510 CA LEU A 37 4.271 8.435 3.092 1.00 0.00 C ATOM 511 C LEU A 37 4.893 9.683 2.472 1.00 0.00 C ATOM 512 O LEU A 37 4.473 10.804 2.757 1.00 0.00 O ATOM 513 CB LEU A 37 3.455 7.682 2.040 1.00 0.00 C ATOM 514 CG LEU A 37 2.674 6.466 2.540 1.00 0.00 C ATOM 515 CD1 LEU A 37 1.446 6.229 1.676 1.00 0.00 C ATOM 516 CD2 LEU A 37 3.563 5.231 2.557 1.00 0.00 C ATOM 0 H LEU A 37 2.826 9.593 4.076 1.00 0.00 H new ATOM 0 HA LEU A 37 5.074 7.791 3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.751 8.380 1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.131 7.355 1.250 1.00 0.00 H new ATOM 0 HG LEU A 37 2.343 6.665 3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.903 5.360 2.047 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.799 7.105 1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.755 6.052 0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.991 4.376 2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.924 5.029 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.412 5.403 3.219 1.00 0.00 H new ATOM 528 N GLU A 38 5.894 9.479 1.622 1.00 0.00 N ATOM 529 CA GLU A 38 6.573 10.588 0.961 1.00 0.00 C ATOM 530 C GLU A 38 6.455 10.472 -0.556 1.00 0.00 C ATOM 531 O GLU A 38 6.704 9.412 -1.130 1.00 0.00 O ATOM 532 CB GLU A 38 8.047 10.627 1.367 1.00 0.00 C ATOM 533 CG GLU A 38 8.924 11.406 0.401 1.00 0.00 C ATOM 534 CD GLU A 38 10.133 12.022 1.078 1.00 0.00 C ATOM 535 OE1 GLU A 38 11.179 11.344 1.155 1.00 0.00 O ATOM 536 OE2 GLU A 38 10.034 13.182 1.531 1.00 0.00 O ATOM 0 H GLU A 38 6.253 8.557 1.375 1.00 0.00 H new ATOM 0 HA GLU A 38 6.092 11.514 1.276 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.130 11.071 2.359 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.422 9.606 1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.258 10.742 -0.397 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.333 12.194 -0.066 1.00 0.00 H new ATOM 543 N VAL A 39 6.071 11.570 -1.199 1.00 0.00 N ATOM 544 CA VAL A 39 5.920 11.592 -2.649 1.00 0.00 C ATOM 545 C VAL A 39 6.989 10.743 -3.327 1.00 0.00 C ATOM 546 O VAL A 39 8.175 11.068 -3.284 1.00 0.00 O ATOM 547 CB VAL A 39 5.997 13.029 -3.199 1.00 0.00 C ATOM 548 CG1 VAL A 39 5.803 13.035 -4.707 1.00 0.00 C ATOM 549 CG2 VAL A 39 4.965 13.916 -2.517 1.00 0.00 C ATOM 0 H VAL A 39 5.859 12.455 -0.739 1.00 0.00 H new ATOM 0 HA VAL A 39 4.937 11.177 -2.871 1.00 0.00 H new ATOM 0 HB VAL A 39 6.987 13.430 -2.983 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.861 14.059 -5.077 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.582 12.435 -5.177 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.827 12.616 -4.950 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.033 14.928 -2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.966 13.520 -2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.155 13.937 -1.444 1.00 0.00 H new ATOM 559 N GLY A 40 6.561 9.651 -3.953 1.00 0.00 N ATOM 560 CA GLY A 40 7.494 8.771 -4.632 1.00 0.00 C ATOM 561 C GLY A 40 7.960 7.629 -3.751 1.00 0.00 C ATOM 562 O GLY A 40 9.153 7.335 -3.683 1.00 0.00 O ATOM 0 H GLY A 40 5.585 9.360 -4.002 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.021 8.366 -5.527 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.358 9.348 -4.962 1.00 0.00 H new ATOM 566 N ASP A 41 7.017 6.985 -3.072 1.00 0.00 N ATOM 567 CA ASP A 41 7.337 5.869 -2.190 1.00 0.00 C ATOM 568 C ASP A 41 6.546 4.624 -2.580 1.00 0.00 C ATOM 569 O ASP A 41 5.368 4.709 -2.928 1.00 0.00 O ATOM 570 CB ASP A 41 7.043 6.241 -0.736 1.00 0.00 C ATOM 571 CG ASP A 41 7.956 5.524 0.240 1.00 0.00 C ATOM 572 OD1 ASP A 41 8.051 4.282 0.160 1.00 0.00 O ATOM 573 OD2 ASP A 41 8.573 6.206 1.085 1.00 0.00 O ATOM 0 H ASP A 41 6.025 7.217 -3.116 1.00 0.00 H new ATOM 0 HA ASP A 41 8.400 5.649 -2.293 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.155 7.318 -0.610 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.006 5.999 -0.504 1.00 0.00 H new ATOM 578 N ILE A 42 7.201 3.470 -2.520 1.00 0.00 N ATOM 579 CA ILE A 42 6.559 2.208 -2.866 1.00 0.00 C ATOM 580 C ILE A 42 5.775 1.648 -1.685 1.00 0.00 C ATOM 581 O ILE A 42 6.353 1.260 -0.670 1.00 0.00 O ATOM 582 CB ILE A 42 7.589 1.160 -3.328 1.00 0.00 C ATOM 583 CG1 ILE A 42 8.492 1.746 -4.415 1.00 0.00 C ATOM 584 CG2 ILE A 42 6.883 -0.089 -3.833 1.00 0.00 C ATOM 585 CD1 ILE A 42 7.741 2.191 -5.650 1.00 0.00 C ATOM 0 H ILE A 42 8.176 3.383 -2.235 1.00 0.00 H new ATOM 0 HA ILE A 42 5.873 2.418 -3.687 1.00 0.00 H new ATOM 0 HB ILE A 42 8.211 0.882 -2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 42 9.036 2.597 -4.004 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.234 1.000 -4.700 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.624 -0.820 -4.156 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.279 -0.514 -3.032 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.240 0.171 -4.674 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.445 2.596 -6.378 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.219 1.339 -6.085 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.018 2.960 -5.379 1.00 0.00 H new ATOM 597 N VAL A 43 4.453 1.606 -1.825 1.00 0.00 N ATOM 598 CA VAL A 43 3.589 1.091 -0.770 1.00 0.00 C ATOM 599 C VAL A 43 3.290 -0.390 -0.980 1.00 0.00 C ATOM 600 O VAL A 43 2.735 -0.784 -2.005 1.00 0.00 O ATOM 601 CB VAL A 43 2.260 1.866 -0.704 1.00 0.00 C ATOM 602 CG1 VAL A 43 1.356 1.287 0.373 1.00 0.00 C ATOM 603 CG2 VAL A 43 2.518 3.345 -0.456 1.00 0.00 C ATOM 0 H VAL A 43 3.958 1.923 -2.659 1.00 0.00 H new ATOM 0 HA VAL A 43 4.125 1.222 0.170 1.00 0.00 H new ATOM 0 HB VAL A 43 1.753 1.764 -1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.422 1.848 0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.144 0.242 0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.853 1.356 1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.568 3.878 -0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.047 3.469 0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.124 3.750 -1.267 1.00 0.00 H new ATOM 613 N LYS A 44 3.662 -1.207 0.000 1.00 0.00 N ATOM 614 CA LYS A 44 3.434 -2.645 -0.074 1.00 0.00 C ATOM 615 C LYS A 44 2.231 -3.049 0.773 1.00 0.00 C ATOM 616 O LYS A 44 2.294 -3.042 2.002 1.00 0.00 O ATOM 617 CB LYS A 44 4.677 -3.404 0.393 1.00 0.00 C ATOM 618 CG LYS A 44 4.474 -4.907 0.483 1.00 0.00 C ATOM 619 CD LYS A 44 5.388 -5.532 1.524 1.00 0.00 C ATOM 620 CE LYS A 44 5.226 -7.044 1.571 1.00 0.00 C ATOM 621 NZ LYS A 44 6.416 -7.710 2.170 1.00 0.00 N ATOM 0 H LYS A 44 4.123 -0.897 0.855 1.00 0.00 H new ATOM 0 HA LYS A 44 3.228 -2.902 -1.113 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.498 -3.197 -0.294 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.977 -3.027 1.371 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.435 -5.120 0.735 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.666 -5.360 -0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.424 -5.283 1.297 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.167 -5.110 2.504 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.338 -7.296 2.151 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.067 -7.424 0.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.267 -8.739 2.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.259 -7.490 1.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.553 -7.367 3.142 1.00 0.00 H new ATOM 635 N VAL A 45 1.136 -3.401 0.107 1.00 0.00 N ATOM 636 CA VAL A 45 -0.081 -3.811 0.798 1.00 0.00 C ATOM 637 C VAL A 45 -0.309 -5.313 0.666 1.00 0.00 C ATOM 638 O VAL A 45 -0.233 -5.870 -0.429 1.00 0.00 O ATOM 639 CB VAL A 45 -1.314 -3.066 0.254 1.00 0.00 C ATOM 640 CG1 VAL A 45 -1.224 -2.916 -1.257 1.00 0.00 C ATOM 641 CG2 VAL A 45 -2.592 -3.790 0.650 1.00 0.00 C ATOM 0 H VAL A 45 1.067 -3.411 -0.911 1.00 0.00 H new ATOM 0 HA VAL A 45 0.052 -3.558 1.850 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.337 -2.069 0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.104 -2.387 -1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.328 -2.351 -1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.175 -3.902 -1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.453 -3.249 0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.580 -4.800 0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.660 -3.840 1.737 1.00 0.00 H new ATOM 651 N THR A 46 -0.590 -5.964 1.790 1.00 0.00 N ATOM 652 CA THR A 46 -0.829 -7.402 1.801 1.00 0.00 C ATOM 653 C THR A 46 -2.315 -7.711 1.942 1.00 0.00 C ATOM 654 O THR A 46 -2.772 -8.792 1.569 1.00 0.00 O ATOM 655 CB THR A 46 -0.062 -8.090 2.946 1.00 0.00 C ATOM 656 OG1 THR A 46 -0.614 -7.701 4.209 1.00 0.00 O ATOM 657 CG2 THR A 46 1.415 -7.731 2.900 1.00 0.00 C ATOM 0 H THR A 46 -0.658 -5.518 2.705 1.00 0.00 H new ATOM 0 HA THR A 46 -0.469 -7.790 0.848 1.00 0.00 H new ATOM 0 HB THR A 46 -0.161 -9.169 2.824 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.122 -8.144 4.931 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.936 -8.228 3.718 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.839 -8.055 1.949 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.530 -6.652 2.999 1.00 0.00 H new ATOM 665 N ARG A 47 -3.065 -6.756 2.483 1.00 0.00 N ATOM 666 CA ARG A 47 -4.500 -6.928 2.673 1.00 0.00 C ATOM 667 C ARG A 47 -5.269 -5.732 2.120 1.00 0.00 C ATOM 668 O ARG A 47 -4.963 -4.583 2.438 1.00 0.00 O ATOM 669 CB ARG A 47 -4.821 -7.111 4.158 1.00 0.00 C ATOM 670 CG ARG A 47 -4.225 -8.374 4.758 1.00 0.00 C ATOM 671 CD ARG A 47 -4.681 -8.576 6.195 1.00 0.00 C ATOM 672 NE ARG A 47 -6.133 -8.696 6.297 1.00 0.00 N ATOM 673 CZ ARG A 47 -6.952 -7.655 6.385 1.00 0.00 C ATOM 674 NH1 ARG A 47 -6.465 -6.422 6.384 1.00 0.00 N ATOM 675 NH2 ARG A 47 -8.262 -7.845 6.475 1.00 0.00 N ATOM 0 H ARG A 47 -2.703 -5.856 2.797 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.809 -7.820 2.128 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.451 -6.247 4.710 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.903 -7.133 4.287 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.516 -9.236 4.158 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.137 -8.316 4.725 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.214 -9.473 6.601 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.343 -7.737 6.804 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.540 -9.631 6.301 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.459 -6.271 6.315 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.097 -5.624 6.452 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.641 -8.792 6.477 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.890 -7.044 6.543 1.00 0.00 H new ATOM 689 N MET A 48 -6.268 -6.010 1.289 1.00 0.00 N ATOM 690 CA MET A 48 -7.081 -4.957 0.691 1.00 0.00 C ATOM 691 C MET A 48 -8.525 -5.046 1.173 1.00 0.00 C ATOM 692 O MET A 48 -9.284 -5.907 0.731 1.00 0.00 O ATOM 693 CB MET A 48 -7.033 -5.050 -0.835 1.00 0.00 C ATOM 694 CG MET A 48 -5.774 -4.451 -1.441 1.00 0.00 C ATOM 695 SD MET A 48 -5.972 -4.039 -3.186 1.00 0.00 S ATOM 696 CE MET A 48 -4.644 -2.857 -3.407 1.00 0.00 C ATOM 0 H MET A 48 -6.534 -6.956 1.014 1.00 0.00 H new ATOM 0 HA MET A 48 -6.672 -3.996 1.001 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.105 -6.097 -1.129 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.903 -4.541 -1.249 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.501 -3.552 -0.888 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.950 -5.156 -1.329 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.934 -2.120 -4.155 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.443 -2.354 -2.461 1.00 0.00 H new ATOM 0 HE3 MET A 48 -3.746 -3.377 -3.739 1.00 0.00 H new ATOM 706 N ASN A 49 -8.898 -4.150 2.081 1.00 0.00 N ATOM 707 CA ASN A 49 -10.252 -4.128 2.623 1.00 0.00 C ATOM 708 C ASN A 49 -11.230 -3.523 1.620 1.00 0.00 C ATOM 709 O ASN A 49 -11.036 -2.402 1.148 1.00 0.00 O ATOM 710 CB ASN A 49 -10.288 -3.334 3.930 1.00 0.00 C ATOM 711 CG ASN A 49 -9.132 -3.681 4.849 1.00 0.00 C ATOM 712 OD1 ASN A 49 -8.642 -4.810 4.849 1.00 0.00 O ATOM 713 ND2 ASN A 49 -8.691 -2.707 5.638 1.00 0.00 N ATOM 0 H ASN A 49 -8.282 -3.430 2.457 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.553 -5.156 2.822 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.262 -2.268 3.705 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.229 -3.529 4.445 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.916 -2.880 6.278 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.128 -1.786 5.604 1.00 0.00 H new ATOM 720 N ILE A 50 -12.280 -4.272 1.300 1.00 0.00 N ATOM 721 CA ILE A 50 -13.288 -3.808 0.355 1.00 0.00 C ATOM 722 C ILE A 50 -13.701 -2.371 0.653 1.00 0.00 C ATOM 723 O ILE A 50 -13.742 -1.528 -0.243 1.00 0.00 O ATOM 724 CB ILE A 50 -14.540 -4.706 0.383 1.00 0.00 C ATOM 725 CG1 ILE A 50 -14.181 -6.131 -0.042 1.00 0.00 C ATOM 726 CG2 ILE A 50 -15.621 -4.134 -0.522 1.00 0.00 C ATOM 727 CD1 ILE A 50 -13.786 -6.247 -1.498 1.00 0.00 C ATOM 0 H ILE A 50 -12.455 -5.202 1.681 1.00 0.00 H new ATOM 0 HA ILE A 50 -12.837 -3.856 -0.636 1.00 0.00 H new ATOM 0 HB ILE A 50 -14.925 -4.737 1.402 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -13.360 -6.490 0.578 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -15.033 -6.784 0.148 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -16.499 -4.779 -0.492 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -15.892 -3.136 -0.179 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.247 -4.077 -1.544 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -13.545 -7.285 -1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -14.614 -5.919 -2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -12.914 -5.621 -1.690 1.00 0.00 H new ATOM 739 N ASN A 51 -14.004 -2.097 1.917 1.00 0.00 N ATOM 740 CA ASN A 51 -14.413 -0.761 2.334 1.00 0.00 C ATOM 741 C ASN A 51 -13.625 0.308 1.582 1.00 0.00 C ATOM 742 O ASN A 51 -14.196 1.269 1.068 1.00 0.00 O ATOM 743 CB ASN A 51 -14.214 -0.591 3.841 1.00 0.00 C ATOM 744 CG ASN A 51 -12.832 -0.072 4.187 1.00 0.00 C ATOM 745 OD1 ASN A 51 -11.836 -0.783 4.045 1.00 0.00 O ATOM 746 ND2 ASN A 51 -12.764 1.173 4.645 1.00 0.00 N ATOM 0 H ASN A 51 -13.974 -2.783 2.671 1.00 0.00 H new ATOM 0 HA ASN A 51 -15.471 -0.642 2.098 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -14.965 0.097 4.228 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -14.374 -1.549 4.336 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.861 1.576 4.895 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -13.615 1.726 4.747 1.00 0.00 H new ATOM 753 N GLY A 52 -12.308 0.132 1.521 1.00 0.00 N ATOM 754 CA GLY A 52 -11.463 1.088 0.830 1.00 0.00 C ATOM 755 C GLY A 52 -10.089 1.207 1.458 1.00 0.00 C ATOM 756 O GLY A 52 -9.076 1.174 0.760 1.00 0.00 O ATOM 0 H GLY A 52 -11.812 -0.656 1.938 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.358 0.788 -0.213 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.947 2.065 0.834 1.00 0.00 H new ATOM 760 N GLN A 53 -10.054 1.348 2.779 1.00 0.00 N ATOM 761 CA GLN A 53 -8.793 1.476 3.501 1.00 0.00 C ATOM 762 C GLN A 53 -8.035 0.153 3.509 1.00 0.00 C ATOM 763 O GLN A 53 -8.520 -0.848 4.037 1.00 0.00 O ATOM 764 CB GLN A 53 -9.047 1.941 4.936 1.00 0.00 C ATOM 765 CG GLN A 53 -9.041 3.453 5.095 1.00 0.00 C ATOM 766 CD GLN A 53 -9.940 3.925 6.221 1.00 0.00 C ATOM 767 OE1 GLN A 53 -11.163 3.962 6.080 1.00 0.00 O ATOM 768 NE2 GLN A 53 -9.338 4.288 7.347 1.00 0.00 N ATOM 0 H GLN A 53 -10.884 1.377 3.371 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.183 2.220 2.989 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.009 1.553 5.270 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.286 1.512 5.588 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.022 3.791 5.283 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.362 3.914 4.161 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.322 4.241 7.420 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.892 4.614 8.139 1.00 0.00 H new ATOM 777 N TRP A 54 -6.844 0.156 2.922 1.00 0.00 N ATOM 778 CA TRP A 54 -6.018 -1.045 2.862 1.00 0.00 C ATOM 779 C TRP A 54 -4.893 -0.984 3.888 1.00 0.00 C ATOM 780 O TRP A 54 -4.487 0.097 4.313 1.00 0.00 O ATOM 781 CB TRP A 54 -5.436 -1.219 1.458 1.00 0.00 C ATOM 782 CG TRP A 54 -6.412 -0.900 0.366 1.00 0.00 C ATOM 783 CD1 TRP A 54 -7.759 -1.124 0.380 1.00 0.00 C ATOM 784 CD2 TRP A 54 -6.116 -0.299 -0.899 1.00 0.00 C ATOM 785 NE1 TRP A 54 -8.318 -0.700 -0.802 1.00 0.00 N ATOM 786 CE2 TRP A 54 -7.331 -0.189 -1.603 1.00 0.00 C ATOM 787 CE3 TRP A 54 -4.943 0.157 -1.506 1.00 0.00 C ATOM 788 CZ2 TRP A 54 -7.404 0.358 -2.881 1.00 0.00 C ATOM 789 CZ3 TRP A 54 -5.017 0.699 -2.775 1.00 0.00 C ATOM 790 CH2 TRP A 54 -6.240 0.797 -3.451 1.00 0.00 C ATOM 0 H TRP A 54 -6.428 0.976 2.481 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.650 -1.902 3.095 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.562 -0.577 1.353 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.093 -2.247 1.340 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -8.305 -1.569 1.199 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.307 -0.757 -1.044 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -3.995 0.087 -0.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -8.346 0.433 -3.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -4.116 1.053 -3.254 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -6.265 1.227 -4.441 1.00 0.00 H new ATOM 801 N GLU A 55 -4.393 -2.151 4.282 1.00 0.00 N ATOM 802 CA GLU A 55 -3.314 -2.229 5.260 1.00 0.00 C ATOM 803 C GLU A 55 -1.966 -2.418 4.570 1.00 0.00 C ATOM 804 O GLU A 55 -1.738 -3.420 3.894 1.00 0.00 O ATOM 805 CB GLU A 55 -3.564 -3.378 6.239 1.00 0.00 C ATOM 806 CG GLU A 55 -2.655 -3.350 7.456 1.00 0.00 C ATOM 807 CD GLU A 55 -2.613 -4.679 8.184 1.00 0.00 C ATOM 808 OE1 GLU A 55 -3.495 -4.918 9.035 1.00 0.00 O ATOM 809 OE2 GLU A 55 -1.697 -5.481 7.902 1.00 0.00 O ATOM 0 H GLU A 55 -4.718 -3.055 3.939 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.291 -1.290 5.812 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.602 -3.342 6.570 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.429 -4.325 5.717 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.646 -3.078 7.145 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.997 -2.575 8.142 1.00 0.00 H new ATOM 816 N GLY A 56 -1.076 -1.446 4.745 1.00 0.00 N ATOM 817 CA GLY A 56 0.237 -1.523 4.132 1.00 0.00 C ATOM 818 C GLY A 56 1.349 -1.169 5.099 1.00 0.00 C ATOM 819 O GLY A 56 1.102 -0.577 6.149 1.00 0.00 O ATOM 0 H GLY A 56 -1.241 -0.607 5.300 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.398 -2.531 3.751 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.275 -0.849 3.276 1.00 0.00 H new ATOM 823 N GLU A 57 2.578 -1.533 4.745 1.00 0.00 N ATOM 824 CA GLU A 57 3.731 -1.251 5.592 1.00 0.00 C ATOM 825 C GLU A 57 4.899 -0.724 4.763 1.00 0.00 C ATOM 826 O GLU A 57 5.410 -1.414 3.881 1.00 0.00 O ATOM 827 CB GLU A 57 4.157 -2.512 6.348 1.00 0.00 C ATOM 828 CG GLU A 57 5.500 -2.378 7.046 1.00 0.00 C ATOM 829 CD GLU A 57 6.112 -3.721 7.396 1.00 0.00 C ATOM 830 OE1 GLU A 57 5.736 -4.727 6.758 1.00 0.00 O ATOM 831 OE2 GLU A 57 6.965 -3.766 8.306 1.00 0.00 O ATOM 0 H GLU A 57 2.800 -2.023 3.879 1.00 0.00 H new ATOM 0 HA GLU A 57 3.442 -0.484 6.311 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.395 -2.757 7.088 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.202 -3.347 5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.186 -1.827 6.403 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.375 -1.791 7.956 1.00 0.00 H new ATOM 838 N VAL A 58 5.315 0.505 5.052 1.00 0.00 N ATOM 839 CA VAL A 58 6.422 1.126 4.335 1.00 0.00 C ATOM 840 C VAL A 58 7.434 1.730 5.302 1.00 0.00 C ATOM 841 O VAL A 58 7.087 2.119 6.416 1.00 0.00 O ATOM 842 CB VAL A 58 5.924 2.225 3.377 1.00 0.00 C ATOM 843 CG1 VAL A 58 7.094 2.876 2.656 1.00 0.00 C ATOM 844 CG2 VAL A 58 4.925 1.653 2.383 1.00 0.00 C ATOM 0 H VAL A 58 4.902 1.090 5.778 1.00 0.00 H new ATOM 0 HA VAL A 58 6.904 0.339 3.755 1.00 0.00 H new ATOM 0 HB VAL A 58 5.419 2.992 3.964 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.722 3.649 1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.768 3.323 3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.631 2.122 2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.584 2.443 1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.402 0.865 1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.072 1.240 2.921 1.00 0.00 H new ATOM 854 N ASN A 59 8.687 1.806 4.867 1.00 0.00 N ATOM 855 CA ASN A 59 9.751 2.363 5.695 1.00 0.00 C ATOM 856 C ASN A 59 9.208 3.446 6.622 1.00 0.00 C ATOM 857 O ASN A 59 9.153 4.620 6.257 1.00 0.00 O ATOM 858 CB ASN A 59 10.862 2.939 4.815 1.00 0.00 C ATOM 859 CG ASN A 59 10.319 3.749 3.654 1.00 0.00 C ATOM 860 OD1 ASN A 59 9.877 3.193 2.648 1.00 0.00 O ATOM 861 ND2 ASN A 59 10.348 5.070 3.788 1.00 0.00 N ATOM 0 H ASN A 59 8.991 1.489 3.946 1.00 0.00 H new ATOM 0 HA ASN A 59 10.161 1.559 6.306 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.512 3.569 5.422 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.476 2.125 4.430 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.995 5.666 3.040 1.00 0.00 H new ATOM 0 HD22 ASN A 59 10.723 5.488 4.639 1.00 0.00 H new ATOM 868 N GLY A 60 8.809 3.043 7.825 1.00 0.00 N ATOM 869 CA GLY A 60 8.276 3.991 8.786 1.00 0.00 C ATOM 870 C GLY A 60 7.351 3.337 9.793 1.00 0.00 C ATOM 871 O GLY A 60 7.736 3.104 10.939 1.00 0.00 O ATOM 0 H GLY A 60 8.845 2.077 8.151 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.100 4.472 9.313 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.735 4.775 8.256 1.00 0.00 H new ATOM 875 N ARG A 61 6.128 3.042 9.367 1.00 0.00 N ATOM 876 CA ARG A 61 5.145 2.414 10.241 1.00 0.00 C ATOM 877 C ARG A 61 4.101 1.654 9.428 1.00 0.00 C ATOM 878 O ARG A 61 4.206 1.549 8.206 1.00 0.00 O ATOM 879 CB ARG A 61 4.460 3.468 11.113 1.00 0.00 C ATOM 880 CG ARG A 61 5.109 3.646 12.476 1.00 0.00 C ATOM 881 CD ARG A 61 4.952 5.070 12.986 1.00 0.00 C ATOM 882 NE ARG A 61 6.061 5.925 12.572 1.00 0.00 N ATOM 883 CZ ARG A 61 6.385 7.057 13.187 1.00 0.00 C ATOM 884 NH1 ARG A 61 5.689 7.468 14.238 1.00 0.00 N ATOM 885 NH2 ARG A 61 7.408 7.781 12.751 1.00 0.00 N ATOM 0 H ARG A 61 5.794 3.228 8.421 1.00 0.00 H new ATOM 0 HA ARG A 61 5.667 1.704 10.883 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.469 4.423 10.588 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.415 3.190 11.251 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.661 2.952 13.187 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.168 3.396 12.411 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.015 5.486 12.616 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.888 5.060 14.074 1.00 0.00 H new ATOM 0 HE ARG A 61 6.617 5.637 11.767 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.902 6.914 14.577 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.941 8.338 14.708 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.946 7.468 11.943 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.656 8.650 13.224 1.00 0.00 H new ATOM 899 N LYS A 62 3.093 1.126 10.114 1.00 0.00 N ATOM 900 CA LYS A 62 2.029 0.376 9.458 1.00 0.00 C ATOM 901 C LYS A 62 0.672 1.026 9.708 1.00 0.00 C ATOM 902 O LYS A 62 0.195 1.072 10.841 1.00 0.00 O ATOM 903 CB LYS A 62 2.014 -1.070 9.956 1.00 0.00 C ATOM 904 CG LYS A 62 3.382 -1.731 9.949 1.00 0.00 C ATOM 905 CD LYS A 62 3.403 -2.979 10.815 1.00 0.00 C ATOM 906 CE LYS A 62 4.811 -3.307 11.286 1.00 0.00 C ATOM 907 NZ LYS A 62 5.214 -2.475 12.453 1.00 0.00 N ATOM 0 H LYS A 62 2.991 1.204 11.126 1.00 0.00 H new ATOM 0 HA LYS A 62 2.223 0.381 8.385 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.615 -1.092 10.970 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.335 -1.653 9.333 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.656 -1.992 8.927 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.130 -1.025 10.309 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.754 -2.835 11.679 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.001 -3.821 10.251 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.867 -4.362 11.555 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.514 -3.149 10.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.180 -2.729 12.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.185 -1.469 12.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.559 -2.644 13.243 1.00 0.00 H new ATOM 921 N GLY A 63 0.053 1.525 8.642 1.00 0.00 N ATOM 922 CA GLY A 63 -1.244 2.164 8.768 1.00 0.00 C ATOM 923 C GLY A 63 -2.052 2.092 7.488 1.00 0.00 C ATOM 924 O GLY A 63 -1.541 1.684 6.444 1.00 0.00 O ATOM 0 H GLY A 63 0.427 1.498 7.693 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.803 1.689 9.574 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.106 3.208 9.048 1.00 0.00 H new ATOM 928 N LEU A 64 -3.318 2.487 7.567 1.00 0.00 N ATOM 929 CA LEU A 64 -4.200 2.464 6.405 1.00 0.00 C ATOM 930 C LEU A 64 -4.040 3.734 5.575 1.00 0.00 C ATOM 931 O LEU A 64 -3.794 4.813 6.113 1.00 0.00 O ATOM 932 CB LEU A 64 -5.656 2.312 6.849 1.00 0.00 C ATOM 933 CG LEU A 64 -5.946 1.163 7.815 1.00 0.00 C ATOM 934 CD1 LEU A 64 -7.377 1.242 8.324 1.00 0.00 C ATOM 935 CD2 LEU A 64 -5.692 -0.178 7.141 1.00 0.00 C ATOM 0 H LEU A 64 -3.757 2.827 8.423 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.924 1.610 5.786 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.971 3.244 7.319 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.274 2.178 5.961 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.273 1.252 8.668 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.565 0.416 9.010 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.526 2.188 8.845 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.067 1.179 7.482 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.904 -0.984 7.843 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.340 -0.276 6.270 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.650 -0.235 6.826 1.00 0.00 H new ATOM 947 N PHE A 65 -4.184 3.597 4.261 1.00 0.00 N ATOM 948 CA PHE A 65 -4.056 4.734 3.355 1.00 0.00 C ATOM 949 C PHE A 65 -5.136 4.695 2.278 1.00 0.00 C ATOM 950 O PHE A 65 -5.517 3.634 1.784 1.00 0.00 O ATOM 951 CB PHE A 65 -2.671 4.742 2.705 1.00 0.00 C ATOM 952 CG PHE A 65 -2.346 3.472 1.973 1.00 0.00 C ATOM 953 CD1 PHE A 65 -1.832 2.378 2.650 1.00 0.00 C ATOM 954 CD2 PHE A 65 -2.552 3.372 0.606 1.00 0.00 C ATOM 955 CE1 PHE A 65 -1.532 1.207 1.979 1.00 0.00 C ATOM 956 CE2 PHE A 65 -2.254 2.204 -0.070 1.00 0.00 C ATOM 957 CZ PHE A 65 -1.742 1.121 0.617 1.00 0.00 C ATOM 0 H PHE A 65 -4.389 2.711 3.799 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.181 5.647 3.937 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.610 5.579 2.009 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.918 4.911 3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.664 2.441 3.715 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.950 4.216 0.063 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.134 0.361 2.519 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.421 2.138 -1.135 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.506 0.208 0.090 1.00 0.00 H new ATOM 967 N PRO A 66 -5.642 5.880 1.906 1.00 0.00 N ATOM 968 CA PRO A 66 -6.685 6.009 0.884 1.00 0.00 C ATOM 969 C PRO A 66 -6.172 5.678 -0.514 1.00 0.00 C ATOM 970 O PRO A 66 -5.015 5.945 -0.840 1.00 0.00 O ATOM 971 CB PRO A 66 -7.087 7.483 0.971 1.00 0.00 C ATOM 972 CG PRO A 66 -5.886 8.171 1.523 1.00 0.00 C ATOM 973 CD PRO A 66 -5.235 7.185 2.453 1.00 0.00 C ATOM 0 HA PRO A 66 -7.510 5.317 1.055 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -7.355 7.879 -0.009 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.954 7.620 1.618 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.203 8.465 0.725 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.167 9.081 2.053 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.151 7.296 2.462 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.577 7.315 3.480 1.00 0.00 H new ATOM 981 N PHE A 67 -7.039 5.096 -1.335 1.00 0.00 N ATOM 982 CA PHE A 67 -6.673 4.728 -2.698 1.00 0.00 C ATOM 983 C PHE A 67 -6.667 5.953 -3.608 1.00 0.00 C ATOM 984 O PHE A 67 -6.214 5.889 -4.752 1.00 0.00 O ATOM 985 CB PHE A 67 -7.643 3.678 -3.244 1.00 0.00 C ATOM 986 CG PHE A 67 -9.046 4.187 -3.412 1.00 0.00 C ATOM 987 CD1 PHE A 67 -9.394 4.941 -4.522 1.00 0.00 C ATOM 988 CD2 PHE A 67 -10.016 3.912 -2.462 1.00 0.00 C ATOM 989 CE1 PHE A 67 -10.684 5.411 -4.679 1.00 0.00 C ATOM 990 CE2 PHE A 67 -11.307 4.380 -2.614 1.00 0.00 C ATOM 991 CZ PHE A 67 -11.642 5.130 -3.725 1.00 0.00 C ATOM 0 H PHE A 67 -8.000 4.869 -1.081 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.668 4.307 -2.677 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -7.276 3.322 -4.207 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.654 2.821 -2.571 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -8.649 5.163 -5.272 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -9.760 3.325 -1.592 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -10.943 5.998 -5.548 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -12.054 4.160 -1.865 1.00 0.00 H new ATOM 0 HZ PHE A 67 -12.651 5.496 -3.847 1.00 0.00 H new ATOM 1001 N THR A 68 -7.174 7.069 -3.093 1.00 0.00 N ATOM 1002 CA THR A 68 -7.229 8.308 -3.859 1.00 0.00 C ATOM 1003 C THR A 68 -5.938 9.103 -3.711 1.00 0.00 C ATOM 1004 O THR A 68 -5.849 10.250 -4.151 1.00 0.00 O ATOM 1005 CB THR A 68 -8.414 9.188 -3.418 1.00 0.00 C ATOM 1006 OG1 THR A 68 -8.440 9.296 -1.991 1.00 0.00 O ATOM 1007 CG2 THR A 68 -9.732 8.609 -3.912 1.00 0.00 C ATOM 0 H THR A 68 -7.552 7.140 -2.148 1.00 0.00 H new ATOM 0 HA THR A 68 -7.362 8.028 -4.904 1.00 0.00 H new ATOM 0 HB THR A 68 -8.284 10.178 -3.854 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.195 9.858 -1.719 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.554 9.248 -3.588 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.721 8.556 -5.001 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.866 7.608 -3.501 1.00 0.00 H new ATOM 1015 N HIS A 69 -4.937 8.488 -3.090 1.00 0.00 N ATOM 1016 CA HIS A 69 -3.648 9.139 -2.885 1.00 0.00 C ATOM 1017 C HIS A 69 -2.551 8.434 -3.678 1.00 0.00 C ATOM 1018 O HIS A 69 -1.627 9.073 -4.183 1.00 0.00 O ATOM 1019 CB HIS A 69 -3.290 9.153 -1.399 1.00 0.00 C ATOM 1020 CG HIS A 69 -2.403 10.295 -1.007 1.00 0.00 C ATOM 1021 ND1 HIS A 69 -2.885 11.543 -0.674 1.00 0.00 N ATOM 1022 CD2 HIS A 69 -1.056 10.371 -0.896 1.00 0.00 C ATOM 1023 CE1 HIS A 69 -1.873 12.338 -0.376 1.00 0.00 C ATOM 1024 NE2 HIS A 69 -0.752 11.651 -0.502 1.00 0.00 N ATOM 0 H HIS A 69 -4.994 7.539 -2.720 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.727 10.166 -3.241 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -4.208 9.199 -0.813 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.796 8.216 -1.144 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -3.869 11.811 -0.660 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -0.352 9.574 -1.083 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -1.949 13.374 -0.080 1.00 0.00 H new ATOM 1033 N VAL A 70 -2.659 7.114 -3.783 1.00 0.00 N ATOM 1034 CA VAL A 70 -1.677 6.322 -4.514 1.00 0.00 C ATOM 1035 C VAL A 70 -2.260 5.793 -5.820 1.00 0.00 C ATOM 1036 O VAL A 70 -3.465 5.566 -5.928 1.00 0.00 O ATOM 1037 CB VAL A 70 -1.172 5.135 -3.672 1.00 0.00 C ATOM 1038 CG1 VAL A 70 -0.742 5.606 -2.291 1.00 0.00 C ATOM 1039 CG2 VAL A 70 -2.245 4.062 -3.568 1.00 0.00 C ATOM 0 H VAL A 70 -3.417 6.570 -3.371 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.839 6.983 -4.734 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.304 4.702 -4.169 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.388 4.754 -1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.061 6.337 -2.389 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.590 6.065 -1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.872 3.231 -2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.133 4.480 -3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.501 3.705 -4.566 1.00 0.00 H new ATOM 1049 N LYS A 71 -1.396 5.597 -6.811 1.00 0.00 N ATOM 1050 CA LYS A 71 -1.823 5.093 -8.110 1.00 0.00 C ATOM 1051 C LYS A 71 -1.276 3.690 -8.356 1.00 0.00 C ATOM 1052 O LYS A 71 -0.077 3.448 -8.214 1.00 0.00 O ATOM 1053 CB LYS A 71 -1.360 6.035 -9.223 1.00 0.00 C ATOM 1054 CG LYS A 71 -2.080 5.817 -10.543 1.00 0.00 C ATOM 1055 CD LYS A 71 -1.663 6.846 -11.581 1.00 0.00 C ATOM 1056 CE LYS A 71 -2.374 8.173 -11.367 1.00 0.00 C ATOM 1057 NZ LYS A 71 -1.727 9.278 -12.128 1.00 0.00 N ATOM 0 H LYS A 71 -0.395 5.780 -6.738 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.912 5.045 -8.113 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.512 7.066 -8.902 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.289 5.903 -9.377 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.865 4.815 -10.915 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.157 5.874 -10.385 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.585 6.998 -11.532 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.887 6.469 -12.579 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.415 8.081 -11.675 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.376 8.417 -10.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.241 10.166 -11.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.740 9.383 -11.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.747 9.058 -13.144 1.00 0.00 H new ATOM 1071 N ILE A 72 -2.161 2.771 -8.725 1.00 0.00 N ATOM 1072 CA ILE A 72 -1.766 1.394 -8.993 1.00 0.00 C ATOM 1073 C ILE A 72 -0.996 1.288 -10.305 1.00 0.00 C ATOM 1074 O ILE A 72 -1.589 1.232 -11.383 1.00 0.00 O ATOM 1075 CB ILE A 72 -2.987 0.458 -9.051 1.00 0.00 C ATOM 1076 CG1 ILE A 72 -3.741 0.484 -7.719 1.00 0.00 C ATOM 1077 CG2 ILE A 72 -2.553 -0.959 -9.393 1.00 0.00 C ATOM 1078 CD1 ILE A 72 -2.923 -0.024 -6.553 1.00 0.00 C ATOM 0 H ILE A 72 -3.157 2.955 -8.845 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.121 1.086 -8.170 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.659 0.810 -9.834 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.060 1.505 -7.511 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.644 -0.120 -7.810 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.428 -1.608 -9.430 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.056 -0.963 -10.363 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.863 -1.322 -8.631 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.520 0.023 -5.642 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.626 -1.056 -6.739 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.033 0.594 -6.436 1.00 0.00 H new ATOM 1090 N PHE A 73 0.329 1.260 -10.207 1.00 0.00 N ATOM 1091 CA PHE A 73 1.181 1.160 -11.386 1.00 0.00 C ATOM 1092 C PHE A 73 1.790 -0.235 -11.501 1.00 0.00 C ATOM 1093 O PHE A 73 1.915 -0.953 -10.508 1.00 0.00 O ATOM 1094 CB PHE A 73 2.292 2.210 -11.329 1.00 0.00 C ATOM 1095 CG PHE A 73 3.507 1.758 -10.570 1.00 0.00 C ATOM 1096 CD1 PHE A 73 3.562 1.877 -9.191 1.00 0.00 C ATOM 1097 CD2 PHE A 73 4.593 1.214 -11.236 1.00 0.00 C ATOM 1098 CE1 PHE A 73 4.678 1.461 -8.489 1.00 0.00 C ATOM 1099 CE2 PHE A 73 5.712 0.795 -10.540 1.00 0.00 C ATOM 1100 CZ PHE A 73 5.755 0.920 -9.165 1.00 0.00 C ATOM 0 H PHE A 73 0.836 1.305 -9.323 1.00 0.00 H new ATOM 0 HA PHE A 73 0.563 1.341 -12.266 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.585 2.472 -12.346 1.00 0.00 H new ATOM 0 HB3 PHE A 73 1.901 3.116 -10.866 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.723 2.300 -8.658 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.565 1.116 -12.311 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.708 1.559 -7.414 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.551 0.371 -11.071 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.629 0.596 -8.619 1.00 0.00 H new ATOM 1110 N ASP A 74 2.166 -0.611 -12.718 1.00 0.00 N ATOM 1111 CA ASP A 74 2.762 -1.919 -12.964 1.00 0.00 C ATOM 1112 C ASP A 74 4.257 -1.901 -12.660 1.00 0.00 C ATOM 1113 O ASP A 74 5.014 -1.092 -13.196 1.00 0.00 O ATOM 1114 CB ASP A 74 2.529 -2.345 -14.414 1.00 0.00 C ATOM 1115 CG ASP A 74 1.196 -3.042 -14.606 1.00 0.00 C ATOM 1116 OD1 ASP A 74 0.192 -2.570 -14.031 1.00 0.00 O ATOM 1117 OD2 ASP A 74 1.156 -4.059 -15.330 1.00 0.00 O ATOM 0 H ASP A 74 2.069 -0.029 -13.550 1.00 0.00 H new ATOM 0 HA ASP A 74 2.283 -2.639 -12.301 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.573 -1.467 -15.059 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.333 -3.011 -14.727 1.00 0.00 H new