USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 569 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 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 157:sc=-0.00598 (180deg=-1.14) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0.466 K(o=0.47,f=-0.27) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 1.2 K(o=1.2,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0308) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -0.278 K(o=-0.28,f=-2.2!) USER MOD Single : A 46 GLN :FLIP amide:sc= -1.32 F(o=-2.2,f=-1.3) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -91:sc= 0.14 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.224 X(o=-0.22,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -2.54! C(o=-2.5!,f=-3.2!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -170:sc=-0.00705 (180deg=-0.111) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0733 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 179:sc= 1.18 USER MOD Single : A 81 SER OG : rot 75:sc= 1.25 USER MOD Single : A 82 CYS SG : rot 70:sc= 0.952 USER MOD ----------------------------------------------------------------- ATOM 182 N LYS A 16 -9.843 -0.353 -4.991 1.00 0.00 N ATOM 183 CA LYS A 16 -9.967 0.143 -6.363 1.00 0.00 C ATOM 184 C LYS A 16 -8.830 -0.399 -7.235 1.00 0.00 C ATOM 185 O LYS A 16 -7.894 -0.978 -6.679 1.00 0.00 O ATOM 186 CB LYS A 16 -9.904 1.680 -6.311 1.00 0.00 C ATOM 187 CG LYS A 16 -11.309 2.290 -6.297 1.00 0.00 C ATOM 188 CD LYS A 16 -11.267 3.757 -6.724 1.00 0.00 C ATOM 189 CE LYS A 16 -12.675 4.226 -7.093 1.00 0.00 C ATOM 190 NZ LYS A 16 -12.630 5.427 -7.946 1.00 0.00 N ATOM 0 HA LYS A 16 -10.909 -0.189 -6.799 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.359 1.995 -5.421 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.351 2.054 -7.173 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.960 1.730 -6.968 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.736 2.209 -5.297 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.869 4.370 -5.915 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.598 3.879 -7.576 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.203 3.427 -7.613 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.239 4.442 -6.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.599 5.723 -8.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.147 6.195 -7.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.112 5.212 -8.822 1.00 0.00 H new ATOM 204 N PRO A 17 -8.864 -0.281 -8.573 1.00 0.00 N ATOM 205 CA PRO A 17 -7.776 -0.765 -9.416 1.00 0.00 C ATOM 206 C PRO A 17 -6.591 0.206 -9.307 1.00 0.00 C ATOM 207 O PRO A 17 -6.750 1.336 -8.848 1.00 0.00 O ATOM 208 CB PRO A 17 -8.372 -0.801 -10.826 1.00 0.00 C ATOM 209 CG PRO A 17 -9.337 0.384 -10.818 1.00 0.00 C ATOM 210 CD PRO A 17 -9.889 0.353 -9.393 1.00 0.00 C ATOM 0 HA PRO A 17 -7.397 -1.747 -9.132 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.604 -0.692 -11.592 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.888 -1.741 -11.023 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -8.828 1.323 -11.035 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.126 0.270 -11.561 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.104 1.361 -9.037 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -10.823 -0.207 -9.350 1.00 0.00 H new ATOM 218 N MET A 18 -5.412 -0.240 -9.744 1.00 0.00 N ATOM 219 CA MET A 18 -4.157 0.507 -9.729 1.00 0.00 C ATOM 220 C MET A 18 -3.517 0.333 -11.097 1.00 0.00 C ATOM 221 O MET A 18 -3.233 -0.801 -11.502 1.00 0.00 O ATOM 222 CB MET A 18 -3.229 -0.041 -8.642 1.00 0.00 C ATOM 223 CG MET A 18 -3.821 0.112 -7.238 1.00 0.00 C ATOM 224 SD MET A 18 -3.940 1.797 -6.593 1.00 0.00 S ATOM 225 CE MET A 18 -2.282 1.980 -5.878 1.00 0.00 C ATOM 0 H MET A 18 -5.303 -1.175 -10.136 1.00 0.00 H new ATOM 0 HA MET A 18 -4.337 1.561 -9.515 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.029 -1.095 -8.836 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.272 0.479 -8.689 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.820 -0.324 -7.239 1.00 0.00 H new ATOM 0 HG3 MET A 18 -3.217 -0.476 -6.547 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.031 3.038 -5.808 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.264 1.536 -4.883 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.554 1.476 -6.513 1.00 0.00 H new ATOM 235 N SER A 19 -3.370 1.428 -11.827 1.00 0.00 N ATOM 236 CA SER A 19 -2.788 1.436 -13.163 1.00 0.00 C ATOM 237 C SER A 19 -1.260 1.362 -13.084 1.00 0.00 C ATOM 238 O SER A 19 -0.675 1.409 -11.999 1.00 0.00 O ATOM 239 CB SER A 19 -3.281 2.692 -13.893 1.00 0.00 C ATOM 240 OG SER A 19 -3.042 2.627 -15.284 1.00 0.00 O ATOM 0 H SER A 19 -3.656 2.352 -11.504 1.00 0.00 H new ATOM 0 HA SER A 19 -3.105 0.559 -13.728 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.349 2.819 -13.715 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.783 3.569 -13.481 1.00 0.00 H new ATOM 0 HG SER A 19 -3.372 3.445 -15.711 1.00 0.00 H new ATOM 246 N TYR A 20 -0.609 1.224 -14.242 1.00 0.00 N ATOM 247 CA TYR A 20 0.844 1.158 -14.338 1.00 0.00 C ATOM 248 C TYR A 20 1.435 2.448 -13.774 1.00 0.00 C ATOM 249 O TYR A 20 2.391 2.390 -13.013 1.00 0.00 O ATOM 250 CB TYR A 20 1.261 0.911 -15.791 1.00 0.00 C ATOM 251 CG TYR A 20 2.752 0.719 -16.013 1.00 0.00 C ATOM 252 CD1 TYR A 20 3.333 -0.556 -15.873 1.00 0.00 C ATOM 253 CD2 TYR A 20 3.557 1.804 -16.404 1.00 0.00 C ATOM 254 CE1 TYR A 20 4.702 -0.753 -16.133 1.00 0.00 C ATOM 255 CE2 TYR A 20 4.925 1.616 -16.675 1.00 0.00 C ATOM 256 CZ TYR A 20 5.503 0.334 -16.551 1.00 0.00 C ATOM 257 OH TYR A 20 6.822 0.156 -16.848 1.00 0.00 O ATOM 0 H TYR A 20 -1.082 1.155 -15.143 1.00 0.00 H new ATOM 0 HA TYR A 20 1.230 0.325 -13.751 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.739 0.027 -16.157 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.925 1.753 -16.397 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.722 -1.391 -15.563 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.122 2.788 -16.497 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.140 -1.733 -16.013 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.534 2.455 -16.979 1.00 0.00 H new ATOM 0 HH TYR A 20 7.215 1.012 -17.118 1.00 0.00 H new ATOM 267 N GLU A 21 0.836 3.597 -14.090 1.00 0.00 N ATOM 268 CA GLU A 21 1.291 4.902 -13.617 1.00 0.00 C ATOM 269 C GLU A 21 1.233 4.977 -12.090 1.00 0.00 C ATOM 270 O GLU A 21 2.107 5.593 -11.488 1.00 0.00 O ATOM 271 CB GLU A 21 0.428 5.997 -14.258 1.00 0.00 C ATOM 272 CG GLU A 21 0.782 6.181 -15.743 1.00 0.00 C ATOM 273 CD GLU A 21 -0.287 6.895 -16.577 1.00 0.00 C ATOM 274 OE1 GLU A 21 -1.342 7.345 -16.072 1.00 0.00 O ATOM 275 OE2 GLU A 21 -0.137 6.908 -17.822 1.00 0.00 O ATOM 0 H GLU A 21 0.012 3.646 -14.689 1.00 0.00 H new ATOM 0 HA GLU A 21 2.330 5.051 -13.909 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.626 5.737 -14.162 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.574 6.937 -13.727 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.713 6.744 -15.813 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.969 5.201 -16.181 1.00 0.00 H new ATOM 282 N GLU A 22 0.244 4.347 -11.451 1.00 0.00 N ATOM 283 CA GLU A 22 0.108 4.347 -9.995 1.00 0.00 C ATOM 284 C GLU A 22 1.227 3.499 -9.407 1.00 0.00 C ATOM 285 O GLU A 22 1.964 3.945 -8.535 1.00 0.00 O ATOM 286 CB GLU A 22 -1.257 3.773 -9.572 1.00 0.00 C ATOM 287 CG GLU A 22 -2.457 4.519 -10.154 1.00 0.00 C ATOM 288 CD GLU A 22 -2.451 6.001 -9.787 1.00 0.00 C ATOM 289 OE1 GLU A 22 -1.729 6.777 -10.446 1.00 0.00 O ATOM 290 OE2 GLU A 22 -3.202 6.391 -8.864 1.00 0.00 O ATOM 0 H GLU A 22 -0.486 3.822 -11.932 1.00 0.00 H new ATOM 0 HA GLU A 22 0.172 5.371 -9.626 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.310 2.728 -9.878 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.325 3.791 -8.484 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.455 4.416 -11.239 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.377 4.061 -9.792 1.00 0.00 H new ATOM 297 N LYS A 23 1.364 2.266 -9.901 1.00 0.00 N ATOM 298 CA LYS A 23 2.380 1.312 -9.469 1.00 0.00 C ATOM 299 C LYS A 23 3.771 1.935 -9.580 1.00 0.00 C ATOM 300 O LYS A 23 4.581 1.817 -8.658 1.00 0.00 O ATOM 301 CB LYS A 23 2.288 0.080 -10.367 1.00 0.00 C ATOM 302 CG LYS A 23 1.009 -0.732 -10.139 1.00 0.00 C ATOM 303 CD LYS A 23 0.809 -1.637 -11.345 1.00 0.00 C ATOM 304 CE LYS A 23 -0.334 -2.612 -11.128 1.00 0.00 C ATOM 305 NZ LYS A 23 -0.479 -3.480 -12.309 1.00 0.00 N ATOM 0 H LYS A 23 0.754 1.897 -10.631 1.00 0.00 H new ATOM 0 HA LYS A 23 2.213 1.035 -8.428 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.332 0.393 -11.410 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.154 -0.558 -10.189 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.090 -1.324 -9.227 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.153 -0.069 -10.014 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.607 -1.029 -12.227 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.727 -2.190 -11.542 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.145 -3.217 -10.241 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.261 -2.067 -10.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.263 -4.146 -12.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.679 -2.896 -13.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.402 -4.011 -12.460 1.00 0.00 H new ATOM 319 N ARG A 24 4.051 2.565 -10.724 1.00 0.00 N ATOM 320 CA ARG A 24 5.316 3.215 -11.009 1.00 0.00 C ATOM 321 C ARG A 24 5.514 4.389 -10.072 1.00 0.00 C ATOM 322 O ARG A 24 6.513 4.387 -9.361 1.00 0.00 O ATOM 323 CB ARG A 24 5.382 3.676 -12.475 1.00 0.00 C ATOM 324 CG ARG A 24 5.540 2.538 -13.495 1.00 0.00 C ATOM 325 CD ARG A 24 6.858 1.763 -13.374 1.00 0.00 C ATOM 326 NE ARG A 24 6.644 0.307 -13.312 1.00 0.00 N ATOM 327 CZ ARG A 24 7.585 -0.612 -13.071 1.00 0.00 C ATOM 328 NH1 ARG A 24 8.842 -0.261 -12.832 1.00 0.00 N ATOM 329 NH2 ARG A 24 7.246 -1.892 -13.073 1.00 0.00 N ATOM 0 H ARG A 24 3.382 2.634 -11.491 1.00 0.00 H new ATOM 0 HA ARG A 24 6.119 2.495 -10.850 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.474 4.233 -12.709 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.218 4.367 -12.588 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.710 1.842 -13.377 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.467 2.953 -14.500 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.496 1.999 -14.226 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.388 2.089 -12.479 1.00 0.00 H new ATOM 0 HE ARG A 24 5.694 -0.030 -13.467 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.105 0.725 -12.830 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.546 -0.977 -12.650 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.280 -2.163 -13.256 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.951 -2.607 -12.891 1.00 0.00 H new ATOM 343 N GLN A 25 4.604 5.365 -10.042 1.00 0.00 N ATOM 344 CA GLN A 25 4.722 6.539 -9.187 1.00 0.00 C ATOM 345 C GLN A 25 4.958 6.148 -7.736 1.00 0.00 C ATOM 346 O GLN A 25 5.862 6.676 -7.094 1.00 0.00 O ATOM 347 CB GLN A 25 3.468 7.407 -9.337 1.00 0.00 C ATOM 348 CG GLN A 25 3.563 8.726 -8.568 1.00 0.00 C ATOM 349 CD GLN A 25 4.792 9.514 -9.013 1.00 0.00 C ATOM 350 OE1 GLN A 25 4.874 9.973 -10.153 1.00 0.00 O ATOM 351 NE2 GLN A 25 5.820 9.616 -8.188 1.00 0.00 N ATOM 0 H GLN A 25 3.761 5.359 -10.616 1.00 0.00 H new ATOM 0 HA GLN A 25 5.590 7.118 -9.501 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.303 7.619 -10.393 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.601 6.848 -8.985 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.663 9.318 -8.736 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.619 8.527 -7.498 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.755 9.237 -7.243 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.678 10.074 -8.496 1.00 0.00 H new ATOM 360 N LEU A 26 4.185 5.186 -7.237 1.00 0.00 N ATOM 361 CA LEU A 26 4.297 4.689 -5.880 1.00 0.00 C ATOM 362 C LEU A 26 5.717 4.167 -5.618 1.00 0.00 C ATOM 363 O LEU A 26 6.172 4.211 -4.484 1.00 0.00 O ATOM 364 CB LEU A 26 3.212 3.625 -5.696 1.00 0.00 C ATOM 365 CG LEU A 26 3.206 2.907 -4.341 1.00 0.00 C ATOM 366 CD1 LEU A 26 2.992 3.884 -3.189 1.00 0.00 C ATOM 367 CD2 LEU A 26 2.117 1.831 -4.390 1.00 0.00 C ATOM 0 H LEU A 26 3.453 4.726 -7.779 1.00 0.00 H new ATOM 0 HA LEU A 26 4.139 5.478 -5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.240 4.096 -5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.325 2.878 -6.482 1.00 0.00 H new ATOM 0 HG LEU A 26 4.175 2.443 -4.157 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.994 3.339 -2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.794 4.622 -3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.035 4.390 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.087 1.300 -3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.150 2.300 -4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.338 1.126 -5.192 1.00 0.00 H new ATOM 379 N SER A 27 6.414 3.639 -6.629 1.00 0.00 N ATOM 380 CA SER A 27 7.779 3.149 -6.493 1.00 0.00 C ATOM 381 C SER A 27 8.710 4.347 -6.287 1.00 0.00 C ATOM 382 O SER A 27 9.585 4.296 -5.421 1.00 0.00 O ATOM 383 CB SER A 27 8.185 2.366 -7.741 1.00 0.00 C ATOM 384 OG SER A 27 9.361 1.610 -7.513 1.00 0.00 O ATOM 0 H SER A 27 6.038 3.541 -7.572 1.00 0.00 H new ATOM 0 HA SER A 27 7.849 2.479 -5.636 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.374 1.701 -8.036 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.348 3.056 -8.569 1.00 0.00 H new ATOM 0 HG SER A 27 9.597 1.118 -8.327 1.00 0.00 H new ATOM 390 N LEU A 28 8.556 5.422 -7.073 1.00 0.00 N ATOM 391 CA LEU A 28 9.382 6.612 -6.939 1.00 0.00 C ATOM 392 C LEU A 28 9.184 7.165 -5.535 1.00 0.00 C ATOM 393 O LEU A 28 10.167 7.461 -4.863 1.00 0.00 O ATOM 394 CB LEU A 28 9.011 7.670 -7.990 1.00 0.00 C ATOM 395 CG LEU A 28 9.491 7.402 -9.424 1.00 0.00 C ATOM 396 CD1 LEU A 28 11.010 7.275 -9.527 1.00 0.00 C ATOM 397 CD2 LEU A 28 8.844 6.202 -10.103 1.00 0.00 C ATOM 0 H LEU A 28 7.857 5.483 -7.813 1.00 0.00 H new ATOM 0 HA LEU A 28 10.428 6.352 -7.102 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.926 7.771 -8.006 1.00 0.00 H new ATOM 0 HB3 LEU A 28 9.416 8.629 -7.667 1.00 0.00 H new ATOM 0 HG LEU A 28 9.163 8.292 -9.961 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.290 7.086 -10.563 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.476 8.200 -9.188 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.349 6.448 -8.903 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.246 6.093 -11.110 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.056 5.300 -9.528 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.766 6.352 -10.157 1.00 0.00 H new ATOM 409 N ASP A 29 7.931 7.234 -5.082 1.00 0.00 N ATOM 410 CA ASP A 29 7.546 7.723 -3.762 1.00 0.00 C ATOM 411 C ASP A 29 8.191 6.840 -2.694 1.00 0.00 C ATOM 412 O ASP A 29 8.715 7.357 -1.708 1.00 0.00 O ATOM 413 CB ASP A 29 6.016 7.732 -3.604 1.00 0.00 C ATOM 414 CG ASP A 29 5.296 8.800 -4.436 1.00 0.00 C ATOM 415 OD1 ASP A 29 5.918 9.423 -5.327 1.00 0.00 O ATOM 416 OD2 ASP A 29 4.089 9.024 -4.203 1.00 0.00 O ATOM 0 H ASP A 29 7.132 6.941 -5.644 1.00 0.00 H new ATOM 0 HA ASP A 29 7.895 8.749 -3.645 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.629 6.752 -3.882 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.773 7.884 -2.552 1.00 0.00 H new ATOM 421 N ILE A 30 8.188 5.515 -2.889 1.00 0.00 N ATOM 422 CA ILE A 30 8.793 4.546 -1.977 1.00 0.00 C ATOM 423 C ILE A 30 10.287 4.887 -1.864 1.00 0.00 C ATOM 424 O ILE A 30 10.841 4.887 -0.766 1.00 0.00 O ATOM 425 CB ILE A 30 8.495 3.093 -2.462 1.00 0.00 C ATOM 426 CG1 ILE A 30 7.132 2.638 -1.891 1.00 0.00 C ATOM 427 CG2 ILE A 30 9.592 2.074 -2.104 1.00 0.00 C ATOM 428 CD1 ILE A 30 6.566 1.374 -2.555 1.00 0.00 C ATOM 0 H ILE A 30 7.754 5.081 -3.704 1.00 0.00 H new ATOM 0 HA ILE A 30 8.366 4.600 -0.976 1.00 0.00 H new ATOM 0 HB ILE A 30 8.469 3.123 -3.551 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.240 2.457 -0.822 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.413 3.449 -2.006 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.309 1.089 -2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.534 2.378 -2.561 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.711 2.033 -1.021 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.609 1.121 -2.099 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.423 1.555 -3.620 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.263 0.548 -2.418 1.00 0.00 H new ATOM 440 N ASN A 31 10.948 5.217 -2.979 1.00 0.00 N ATOM 441 CA ASN A 31 12.369 5.564 -2.985 1.00 0.00 C ATOM 442 C ASN A 31 12.647 6.882 -2.253 1.00 0.00 C ATOM 443 O ASN A 31 13.809 7.153 -1.941 1.00 0.00 O ATOM 444 CB ASN A 31 12.953 5.551 -4.409 1.00 0.00 C ATOM 445 CG ASN A 31 13.244 4.126 -4.859 1.00 0.00 C ATOM 446 OD1 ASN A 31 14.372 3.647 -4.748 1.00 0.00 O ATOM 447 ND2 ASN A 31 12.242 3.404 -5.320 1.00 0.00 N ATOM 0 H ASN A 31 10.512 5.250 -3.900 1.00 0.00 H new ATOM 0 HA ASN A 31 12.888 4.787 -2.424 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.251 6.019 -5.099 1.00 0.00 H new ATOM 0 HB3 ASN A 31 13.869 6.141 -4.437 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.396 2.433 -5.591 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.313 3.817 -5.406 1.00 0.00 H new ATOM 454 N LYS A 32 11.646 7.732 -1.979 1.00 0.00 N ATOM 455 CA LYS A 32 11.860 8.981 -1.243 1.00 0.00 C ATOM 456 C LYS A 32 11.996 8.687 0.254 1.00 0.00 C ATOM 457 O LYS A 32 12.247 9.609 1.031 1.00 0.00 O ATOM 458 CB LYS A 32 10.715 9.969 -1.470 1.00 0.00 C ATOM 459 CG LYS A 32 10.555 10.298 -2.955 1.00 0.00 C ATOM 460 CD LYS A 32 9.508 11.378 -3.191 1.00 0.00 C ATOM 461 CE LYS A 32 9.903 12.757 -2.645 1.00 0.00 C ATOM 462 NZ LYS A 32 11.087 13.324 -3.325 1.00 0.00 N ATOM 0 H LYS A 32 10.678 7.574 -2.259 1.00 0.00 H new ATOM 0 HA LYS A 32 12.778 9.435 -1.615 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.786 9.548 -1.086 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.905 10.885 -0.910 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.513 10.627 -3.358 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.274 9.396 -3.498 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.322 11.462 -4.262 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.571 11.069 -2.728 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.062 13.442 -2.757 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.107 12.675 -1.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.248 14.295 -2.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.922 12.741 -3.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.925 13.335 -4.352 1.00 0.00 H new ATOM 476 N LEU A 33 11.733 7.457 0.701 1.00 0.00 N ATOM 477 CA LEU A 33 11.849 7.077 2.100 1.00 0.00 C ATOM 478 C LEU A 33 13.319 6.750 2.371 1.00 0.00 C ATOM 479 O LEU A 33 13.974 6.165 1.506 1.00 0.00 O ATOM 480 CB LEU A 33 10.970 5.849 2.396 1.00 0.00 C ATOM 481 CG LEU A 33 9.463 6.148 2.265 1.00 0.00 C ATOM 482 CD1 LEU A 33 8.664 4.853 2.127 1.00 0.00 C ATOM 483 CD2 LEU A 33 8.947 6.922 3.487 1.00 0.00 C ATOM 0 H LEU A 33 11.432 6.695 0.093 1.00 0.00 H new ATOM 0 HA LEU A 33 11.513 7.891 2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.237 5.043 1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.179 5.493 3.405 1.00 0.00 H new ATOM 0 HG LEU A 33 9.329 6.756 1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.603 5.088 2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.994 4.315 1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.824 4.231 3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.882 7.120 3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.108 6.330 4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.484 7.867 3.573 1.00 0.00 H new ATOM 495 N PRO A 34 13.861 7.114 3.543 1.00 0.00 N ATOM 496 CA PRO A 34 15.244 6.813 3.886 1.00 0.00 C ATOM 497 C PRO A 34 15.367 5.308 4.111 1.00 0.00 C ATOM 498 O PRO A 34 14.395 4.670 4.522 1.00 0.00 O ATOM 499 CB PRO A 34 15.509 7.569 5.188 1.00 0.00 C ATOM 500 CG PRO A 34 14.134 7.650 5.833 1.00 0.00 C ATOM 501 CD PRO A 34 13.203 7.809 4.635 1.00 0.00 C ATOM 0 HA PRO A 34 15.952 7.103 3.109 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.220 7.040 5.822 1.00 0.00 H new ATOM 0 HB3 PRO A 34 15.924 8.559 5.001 1.00 0.00 H new ATOM 0 HG2 PRO A 34 13.904 6.752 6.407 1.00 0.00 H new ATOM 0 HG3 PRO A 34 14.058 8.494 6.518 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.222 7.380 4.840 1.00 0.00 H new ATOM 0 HD3 PRO A 34 13.047 8.861 4.395 1.00 0.00 H new ATOM 509 N GLY A 35 16.566 4.752 3.944 1.00 0.00 N ATOM 510 CA GLY A 35 16.832 3.331 4.126 1.00 0.00 C ATOM 511 C GLY A 35 16.365 2.838 5.486 1.00 0.00 C ATOM 512 O GLY A 35 15.781 1.764 5.576 1.00 0.00 O ATOM 0 H GLY A 35 17.391 5.287 3.674 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.330 2.764 3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.901 3.145 4.019 1.00 0.00 H new ATOM 516 N GLU A 36 16.549 3.638 6.537 1.00 0.00 N ATOM 517 CA GLU A 36 16.134 3.294 7.891 1.00 0.00 C ATOM 518 C GLU A 36 14.635 2.952 7.961 1.00 0.00 C ATOM 519 O GLU A 36 14.234 2.078 8.740 1.00 0.00 O ATOM 520 CB GLU A 36 16.461 4.491 8.796 1.00 0.00 C ATOM 521 CG GLU A 36 15.916 4.353 10.226 1.00 0.00 C ATOM 522 CD GLU A 36 16.239 5.592 11.049 1.00 0.00 C ATOM 523 OE1 GLU A 36 15.659 6.666 10.754 1.00 0.00 O ATOM 524 OE2 GLU A 36 17.074 5.504 11.977 1.00 0.00 O ATOM 0 H GLU A 36 16.996 4.552 6.468 1.00 0.00 H new ATOM 0 HA GLU A 36 16.669 2.403 8.221 1.00 0.00 H new ATOM 0 HB2 GLU A 36 17.543 4.617 8.840 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.053 5.396 8.347 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.837 4.202 10.196 1.00 0.00 H new ATOM 0 HG3 GLU A 36 16.348 3.472 10.701 1.00 0.00 H new ATOM 531 N LYS A 37 13.807 3.657 7.179 1.00 0.00 N ATOM 532 CA LYS A 37 12.356 3.467 7.140 1.00 0.00 C ATOM 533 C LYS A 37 11.923 2.580 5.974 1.00 0.00 C ATOM 534 O LYS A 37 10.835 2.010 6.047 1.00 0.00 O ATOM 535 CB LYS A 37 11.655 4.835 7.043 1.00 0.00 C ATOM 536 CG LYS A 37 12.015 5.774 8.211 1.00 0.00 C ATOM 537 CD LYS A 37 11.494 7.205 8.029 1.00 0.00 C ATOM 538 CE LYS A 37 10.020 7.355 8.396 1.00 0.00 C ATOM 539 NZ LYS A 37 9.542 8.734 8.162 1.00 0.00 N ATOM 0 H LYS A 37 14.135 4.387 6.546 1.00 0.00 H new ATOM 0 HA LYS A 37 12.065 2.963 8.062 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.928 5.312 6.102 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.576 4.685 7.023 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.609 5.363 9.135 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.099 5.802 8.323 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.086 7.882 8.644 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.637 7.509 6.992 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.424 6.657 7.807 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.876 7.092 9.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.537 8.802 8.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.095 9.396 8.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.657 8.975 7.157 1.00 0.00 H new ATOM 553 N LEU A 38 12.741 2.436 4.929 1.00 0.00 N ATOM 554 CA LEU A 38 12.441 1.637 3.747 1.00 0.00 C ATOM 555 C LEU A 38 12.096 0.201 4.122 1.00 0.00 C ATOM 556 O LEU A 38 11.108 -0.318 3.623 1.00 0.00 O ATOM 557 CB LEU A 38 13.608 1.709 2.752 1.00 0.00 C ATOM 558 CG LEU A 38 13.335 1.001 1.411 1.00 0.00 C ATOM 559 CD1 LEU A 38 12.254 1.719 0.594 1.00 0.00 C ATOM 560 CD2 LEU A 38 14.625 0.945 0.587 1.00 0.00 C ATOM 0 H LEU A 38 13.655 2.886 4.884 1.00 0.00 H new ATOM 0 HA LEU A 38 11.559 2.052 3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.841 2.756 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 38 14.491 1.266 3.212 1.00 0.00 H new ATOM 0 HG LEU A 38 12.980 -0.005 1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.093 1.187 -0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.324 1.743 1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 38 12.576 2.739 0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.430 0.444 -0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.979 1.958 0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.386 0.393 1.139 1.00 0.00 H new ATOM 572 N GLY A 39 12.799 -0.412 5.075 1.00 0.00 N ATOM 573 CA GLY A 39 12.519 -1.784 5.489 1.00 0.00 C ATOM 574 C GLY A 39 11.070 -2.011 5.930 1.00 0.00 C ATOM 575 O GLY A 39 10.531 -3.110 5.774 1.00 0.00 O ATOM 0 H GLY A 39 13.572 0.025 5.577 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.748 -2.457 4.663 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.185 -2.049 6.310 1.00 0.00 H new ATOM 579 N ARG A 40 10.420 -0.985 6.494 1.00 0.00 N ATOM 580 CA ARG A 40 9.034 -1.077 6.943 1.00 0.00 C ATOM 581 C ARG A 40 8.087 -1.213 5.748 1.00 0.00 C ATOM 582 O ARG A 40 6.977 -1.718 5.926 1.00 0.00 O ATOM 583 CB ARG A 40 8.699 0.167 7.791 1.00 0.00 C ATOM 584 CG ARG A 40 7.295 0.172 8.414 1.00 0.00 C ATOM 585 CD ARG A 40 7.104 -0.917 9.474 1.00 0.00 C ATOM 586 NE ARG A 40 5.701 -0.972 9.900 1.00 0.00 N ATOM 587 CZ ARG A 40 5.165 -1.808 10.795 1.00 0.00 C ATOM 588 NH1 ARG A 40 5.930 -2.602 11.535 1.00 0.00 N ATOM 589 NH2 ARG A 40 3.844 -1.829 10.925 1.00 0.00 N ATOM 0 H ARG A 40 10.844 -0.070 6.650 1.00 0.00 H new ATOM 0 HA ARG A 40 8.904 -1.968 7.557 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.435 0.251 8.591 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.805 1.053 7.165 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.108 1.146 8.865 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.554 0.038 7.626 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.407 -1.883 9.071 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.744 -0.715 10.333 1.00 0.00 H new ATOM 0 HE ARG A 40 5.067 -0.301 9.467 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.944 -2.580 11.425 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.504 -3.234 12.213 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.265 -1.217 10.350 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.408 -2.457 11.600 1.00 0.00 H new ATOM 603 N VAL A 41 8.481 -0.751 4.558 1.00 0.00 N ATOM 604 CA VAL A 41 7.682 -0.812 3.344 1.00 0.00 C ATOM 605 C VAL A 41 7.397 -2.272 3.040 1.00 0.00 C ATOM 606 O VAL A 41 6.233 -2.643 2.936 1.00 0.00 O ATOM 607 CB VAL A 41 8.389 -0.092 2.170 1.00 0.00 C ATOM 608 CG1 VAL A 41 7.633 -0.210 0.839 1.00 0.00 C ATOM 609 CG2 VAL A 41 8.549 1.404 2.487 1.00 0.00 C ATOM 0 H VAL A 41 9.391 -0.313 4.415 1.00 0.00 H new ATOM 0 HA VAL A 41 6.737 -0.287 3.487 1.00 0.00 H new ATOM 0 HB VAL A 41 9.355 -0.585 2.058 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.184 0.317 0.060 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.536 -1.261 0.567 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.641 0.231 0.943 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.047 1.901 1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.567 1.850 2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.147 1.523 3.391 1.00 0.00 H new ATOM 619 N VAL A 42 8.425 -3.117 2.981 1.00 0.00 N ATOM 620 CA VAL A 42 8.278 -4.534 2.676 1.00 0.00 C ATOM 621 C VAL A 42 7.303 -5.222 3.644 1.00 0.00 C ATOM 622 O VAL A 42 6.492 -6.062 3.252 1.00 0.00 O ATOM 623 CB VAL A 42 9.658 -5.219 2.708 1.00 0.00 C ATOM 624 CG1 VAL A 42 9.578 -6.516 1.895 1.00 0.00 C ATOM 625 CG2 VAL A 42 10.850 -4.397 2.190 1.00 0.00 C ATOM 0 H VAL A 42 9.391 -2.832 3.145 1.00 0.00 H new ATOM 0 HA VAL A 42 7.857 -4.628 1.675 1.00 0.00 H new ATOM 0 HB VAL A 42 9.864 -5.377 3.767 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.548 -7.014 1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.827 -7.174 2.332 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.302 -6.284 0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 42 11.761 -4.990 2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.679 -4.125 1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.955 -3.492 2.788 1.00 0.00 H new ATOM 635 N HIS A 43 7.346 -4.847 4.926 1.00 0.00 N ATOM 636 CA HIS A 43 6.488 -5.427 5.953 1.00 0.00 C ATOM 637 C HIS A 43 5.002 -5.157 5.665 1.00 0.00 C ATOM 638 O HIS A 43 4.138 -5.876 6.166 1.00 0.00 O ATOM 639 CB HIS A 43 6.904 -4.904 7.335 1.00 0.00 C ATOM 640 CG HIS A 43 8.300 -5.265 7.801 1.00 0.00 C ATOM 641 ND1 HIS A 43 8.833 -4.935 9.030 1.00 0.00 N ATOM 642 CD2 HIS A 43 9.252 -5.987 7.127 1.00 0.00 C ATOM 643 CE1 HIS A 43 10.082 -5.423 9.084 1.00 0.00 C ATOM 644 NE2 HIS A 43 10.378 -6.079 7.950 1.00 0.00 N ATOM 0 H HIS A 43 7.980 -4.130 5.278 1.00 0.00 H new ATOM 0 HA HIS A 43 6.615 -6.510 5.943 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.816 -3.818 7.330 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.191 -5.278 8.070 1.00 0.00 H new ATOM 0 HD1 HIS A 43 8.361 -4.412 9.768 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.150 -6.409 6.138 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.754 -5.305 9.921 1.00 0.00 H new ATOM 652 N ILE A 44 4.672 -4.115 4.891 1.00 0.00 N ATOM 653 CA ILE A 44 3.290 -3.801 4.545 1.00 0.00 C ATOM 654 C ILE A 44 2.761 -4.948 3.681 1.00 0.00 C ATOM 655 O ILE A 44 1.657 -5.445 3.931 1.00 0.00 O ATOM 656 CB ILE A 44 3.196 -2.446 3.798 1.00 0.00 C ATOM 657 CG1 ILE A 44 3.648 -1.282 4.712 1.00 0.00 C ATOM 658 CG2 ILE A 44 1.768 -2.199 3.271 1.00 0.00 C ATOM 659 CD1 ILE A 44 3.860 0.069 4.017 1.00 0.00 C ATOM 0 H ILE A 44 5.356 -3.472 4.491 1.00 0.00 H new ATOM 0 HA ILE A 44 2.687 -3.700 5.447 1.00 0.00 H new ATOM 0 HB ILE A 44 3.868 -2.491 2.941 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.904 -1.152 5.498 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.580 -1.569 5.200 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.732 -1.241 2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.492 -2.996 2.581 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.069 -2.184 4.107 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.175 0.810 4.751 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.629 -0.033 3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.927 0.390 3.554 1.00 0.00 H new ATOM 671 N ILE A 45 3.527 -5.349 2.663 1.00 0.00 N ATOM 672 CA ILE A 45 3.155 -6.412 1.746 1.00 0.00 C ATOM 673 C ILE A 45 3.018 -7.728 2.491 1.00 0.00 C ATOM 674 O ILE A 45 2.053 -8.439 2.236 1.00 0.00 O ATOM 675 CB ILE A 45 4.133 -6.504 0.559 1.00 0.00 C ATOM 676 CG1 ILE A 45 4.138 -5.179 -0.235 1.00 0.00 C ATOM 677 CG2 ILE A 45 3.711 -7.656 -0.364 1.00 0.00 C ATOM 678 CD1 ILE A 45 5.319 -4.284 0.156 1.00 0.00 C ATOM 0 H ILE A 45 4.435 -4.934 2.456 1.00 0.00 H new ATOM 0 HA ILE A 45 2.181 -6.175 1.318 1.00 0.00 H new ATOM 0 HB ILE A 45 5.137 -6.689 0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.184 -5.395 -1.302 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.204 -4.646 -0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.403 -7.721 -1.204 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.727 -8.593 0.193 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.703 -7.473 -0.737 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.285 -3.363 -0.425 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.259 -4.045 1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.254 -4.807 -0.046 1.00 0.00 H new ATOM 690 N GLN A 46 3.884 -8.031 3.461 1.00 0.00 N ATOM 691 CA GLN A 46 3.790 -9.280 4.215 1.00 0.00 C ATOM 692 C GLN A 46 2.411 -9.448 4.891 1.00 0.00 C ATOM 693 O GLN A 46 1.981 -10.574 5.131 1.00 0.00 O ATOM 694 CB GLN A 46 4.931 -9.361 5.232 1.00 0.00 C ATOM 695 CG GLN A 46 6.331 -9.444 4.597 1.00 0.00 C ATOM 696 CD GLN A 46 7.410 -9.776 5.633 1.00 0.00 C ATOM 697 OE1 GLN A 46 8.392 -10.578 5.261 1.00 0.00 O flip ATOM 698 NE2 GLN A 46 7.334 -9.352 6.787 1.00 0.00 N flip ATOM 0 H GLN A 46 4.657 -7.428 3.741 1.00 0.00 H new ATOM 0 HA GLN A 46 3.889 -10.109 3.514 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.889 -8.486 5.881 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.778 -10.235 5.865 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.331 -10.205 3.816 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.569 -8.495 4.117 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.568 -8.734 7.054 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.037 -9.619 7.476 1.00 0.00 H new ATOM 707 N SER A 47 1.688 -8.355 5.184 1.00 0.00 N ATOM 708 CA SER A 47 0.358 -8.428 5.794 1.00 0.00 C ATOM 709 C SER A 47 -0.673 -8.933 4.769 1.00 0.00 C ATOM 710 O SER A 47 -1.753 -9.405 5.135 1.00 0.00 O ATOM 711 CB SER A 47 -0.038 -7.035 6.305 1.00 0.00 C ATOM 712 OG SER A 47 -1.139 -7.080 7.193 1.00 0.00 O ATOM 0 H SER A 47 2.009 -7.404 5.005 1.00 0.00 H new ATOM 0 HA SER A 47 0.380 -9.128 6.629 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.814 -6.580 6.810 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.284 -6.396 5.457 1.00 0.00 H new ATOM 0 HG SER A 47 -1.354 -6.172 7.493 1.00 0.00 H new ATOM 718 N ARG A 48 -0.388 -8.800 3.471 1.00 0.00 N ATOM 719 CA ARG A 48 -1.238 -9.226 2.358 1.00 0.00 C ATOM 720 C ARG A 48 -0.751 -10.533 1.737 1.00 0.00 C ATOM 721 O ARG A 48 -1.569 -11.344 1.297 1.00 0.00 O ATOM 722 CB ARG A 48 -1.278 -8.117 1.293 1.00 0.00 C ATOM 723 CG ARG A 48 -1.640 -6.714 1.824 1.00 0.00 C ATOM 724 CD ARG A 48 -3.078 -6.575 2.325 1.00 0.00 C ATOM 725 NE ARG A 48 -3.326 -7.273 3.592 1.00 0.00 N ATOM 726 CZ ARG A 48 -4.520 -7.404 4.176 1.00 0.00 C ATOM 727 NH1 ARG A 48 -5.585 -6.748 3.723 1.00 0.00 N ATOM 728 NH2 ARG A 48 -4.613 -8.196 5.236 1.00 0.00 N ATOM 0 H ARG A 48 0.482 -8.373 3.154 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.240 -9.405 2.747 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.303 -8.065 0.808 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.001 -8.396 0.527 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.960 -6.461 2.637 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.473 -5.985 1.031 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.310 -5.517 2.450 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.758 -6.963 1.566 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.524 -7.691 4.063 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.499 -6.131 2.915 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.488 -6.862 4.183 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.787 -8.684 5.582 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.511 -8.317 5.705 1.00 0.00 H new ATOM 742 N GLU A 49 0.556 -10.774 1.776 1.00 0.00 N ATOM 743 CA GLU A 49 1.217 -11.944 1.228 1.00 0.00 C ATOM 744 C GLU A 49 1.852 -12.760 2.367 1.00 0.00 C ATOM 745 O GLU A 49 3.055 -12.638 2.609 1.00 0.00 O ATOM 746 CB GLU A 49 2.236 -11.518 0.148 1.00 0.00 C ATOM 747 CG GLU A 49 1.755 -10.483 -0.885 1.00 0.00 C ATOM 748 CD GLU A 49 0.421 -10.805 -1.564 1.00 0.00 C ATOM 749 OE1 GLU A 49 0.196 -11.985 -1.924 1.00 0.00 O ATOM 750 OE2 GLU A 49 -0.435 -9.896 -1.706 1.00 0.00 O ATOM 0 H GLU A 49 1.210 -10.125 2.213 1.00 0.00 H new ATOM 0 HA GLU A 49 0.492 -12.592 0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.115 -11.115 0.650 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.557 -12.411 -0.389 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.668 -9.515 -0.391 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.520 -10.380 -1.655 1.00 0.00 H new ATOM 757 N PRO A 50 1.087 -13.607 3.088 1.00 0.00 N ATOM 758 CA PRO A 50 1.635 -14.419 4.175 1.00 0.00 C ATOM 759 C PRO A 50 2.746 -15.353 3.666 1.00 0.00 C ATOM 760 O PRO A 50 3.688 -15.654 4.392 1.00 0.00 O ATOM 761 CB PRO A 50 0.451 -15.162 4.801 1.00 0.00 C ATOM 762 CG PRO A 50 -0.632 -15.127 3.724 1.00 0.00 C ATOM 763 CD PRO A 50 -0.337 -13.855 2.935 1.00 0.00 C ATOM 0 HA PRO A 50 2.120 -13.806 4.934 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.718 -16.186 5.063 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.116 -14.676 5.717 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.588 -16.010 3.086 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.629 -15.101 4.163 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.600 -13.978 1.885 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -0.922 -13.017 3.314 1.00 0.00 H new ATOM 771 N SER A 51 2.690 -15.775 2.402 1.00 0.00 N ATOM 772 CA SER A 51 3.679 -16.633 1.758 1.00 0.00 C ATOM 773 C SER A 51 5.029 -15.921 1.591 1.00 0.00 C ATOM 774 O SER A 51 6.029 -16.575 1.316 1.00 0.00 O ATOM 775 CB SER A 51 3.109 -17.108 0.414 1.00 0.00 C ATOM 776 OG SER A 51 2.184 -16.167 -0.114 1.00 0.00 O ATOM 0 H SER A 51 1.925 -15.518 1.778 1.00 0.00 H new ATOM 0 HA SER A 51 3.877 -17.498 2.391 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.922 -17.260 -0.296 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.617 -18.072 0.545 1.00 0.00 H new ATOM 0 HG SER A 51 1.280 -16.389 0.193 1.00 0.00 H new ATOM 782 N LEU A 52 5.072 -14.592 1.732 1.00 0.00 N ATOM 783 CA LEU A 52 6.270 -13.757 1.639 1.00 0.00 C ATOM 784 C LEU A 52 6.659 -13.259 3.034 1.00 0.00 C ATOM 785 O LEU A 52 7.695 -12.624 3.215 1.00 0.00 O ATOM 786 CB LEU A 52 6.007 -12.564 0.691 1.00 0.00 C ATOM 787 CG LEU A 52 6.288 -12.808 -0.802 1.00 0.00 C ATOM 788 CD1 LEU A 52 7.728 -13.233 -1.067 1.00 0.00 C ATOM 789 CD2 LEU A 52 5.346 -13.844 -1.420 1.00 0.00 C ATOM 0 H LEU A 52 4.232 -14.046 1.923 1.00 0.00 H new ATOM 0 HA LEU A 52 7.093 -14.346 1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.965 -12.264 0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.617 -11.723 1.021 1.00 0.00 H new ATOM 0 HG LEU A 52 6.111 -11.843 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.870 -13.391 -2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.407 -12.453 -0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.938 -14.159 -0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.591 -13.975 -2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.460 -14.795 -0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.316 -13.500 -1.327 1.00 0.00 H new ATOM 801 N LYS A 53 5.843 -13.535 4.054 1.00 0.00 N ATOM 802 CA LYS A 53 6.083 -13.106 5.422 1.00 0.00 C ATOM 803 C LYS A 53 7.275 -13.785 6.077 1.00 0.00 C ATOM 804 O LYS A 53 7.840 -13.220 7.013 1.00 0.00 O ATOM 805 CB LYS A 53 4.807 -13.346 6.220 1.00 0.00 C ATOM 806 CG LYS A 53 4.861 -12.748 7.624 1.00 0.00 C ATOM 807 CD LYS A 53 3.462 -12.859 8.207 1.00 0.00 C ATOM 808 CE LYS A 53 3.442 -12.334 9.634 1.00 0.00 C ATOM 809 NZ LYS A 53 2.168 -12.697 10.268 1.00 0.00 N ATOM 0 H LYS A 53 4.983 -14.073 3.944 1.00 0.00 H new ATOM 0 HA LYS A 53 6.340 -12.047 5.406 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.962 -12.918 5.681 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.628 -14.419 6.294 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.581 -13.283 8.244 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.183 -11.707 7.588 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.759 -12.294 7.594 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.135 -13.899 8.190 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.275 -12.753 10.199 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.567 -11.251 9.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.152 -12.339 11.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.382 -12.277 9.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.067 -13.732 10.277 1.00 0.00 H new ATOM 823 N ASN A 54 7.642 -14.989 5.639 1.00 0.00 N ATOM 824 CA ASN A 54 8.768 -15.690 6.247 1.00 0.00 C ATOM 825 C ASN A 54 10.104 -15.319 5.615 1.00 0.00 C ATOM 826 O ASN A 54 11.136 -15.714 6.165 1.00 0.00 O ATOM 827 CB ASN A 54 8.544 -17.205 6.264 1.00 0.00 C ATOM 828 CG ASN A 54 7.258 -17.623 6.964 1.00 0.00 C ATOM 829 OD1 ASN A 54 6.613 -18.587 6.568 1.00 0.00 O ATOM 830 ND2 ASN A 54 6.830 -16.960 8.030 1.00 0.00 N ATOM 0 H ASN A 54 7.184 -15.491 4.878 1.00 0.00 H new ATOM 0 HA ASN A 54 8.820 -15.355 7.283 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.525 -17.573 5.238 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.389 -17.683 6.759 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.977 -17.255 8.506 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.354 -16.155 8.374 1.00 0.00 H new ATOM 837 N SER A 55 10.100 -14.612 4.486 1.00 0.00 N ATOM 838 CA SER A 55 11.315 -14.177 3.823 1.00 0.00 C ATOM 839 C SER A 55 11.768 -12.874 4.494 1.00 0.00 C ATOM 840 O SER A 55 10.951 -12.133 5.054 1.00 0.00 O ATOM 841 CB SER A 55 11.037 -13.983 2.325 1.00 0.00 C ATOM 842 OG SER A 55 10.650 -15.220 1.752 1.00 0.00 O ATOM 0 H SER A 55 9.246 -14.326 4.008 1.00 0.00 H new ATOM 0 HA SER A 55 12.109 -14.919 3.912 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.250 -13.242 2.183 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.927 -13.601 1.825 1.00 0.00 H new ATOM 0 HG SER A 55 10.471 -15.096 0.797 1.00 0.00 H new ATOM 848 N ASN A 56 13.076 -12.610 4.494 1.00 0.00 N ATOM 849 CA ASN A 56 13.615 -11.383 5.082 1.00 0.00 C ATOM 850 C ASN A 56 13.167 -10.216 4.185 1.00 0.00 C ATOM 851 O ASN A 56 13.012 -10.436 2.985 1.00 0.00 O ATOM 852 CB ASN A 56 15.150 -11.472 5.136 1.00 0.00 C ATOM 853 CG ASN A 56 15.749 -10.525 6.163 1.00 0.00 C ATOM 854 OD1 ASN A 56 15.308 -10.488 7.312 1.00 0.00 O ATOM 855 ND2 ASN A 56 16.689 -9.692 5.771 1.00 0.00 N ATOM 0 H ASN A 56 13.781 -13.229 4.094 1.00 0.00 H new ATOM 0 HA ASN A 56 13.253 -11.235 6.099 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.444 -12.494 5.373 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.559 -11.243 4.152 1.00 0.00 H new ATOM 0 HD21 ASN A 56 17.063 -9.002 6.423 1.00 0.00 H new ATOM 0 HD22 ASN A 56 17.043 -9.736 4.816 1.00 0.00 H new ATOM 862 N PRO A 57 12.986 -8.973 4.661 1.00 0.00 N ATOM 863 CA PRO A 57 12.553 -7.886 3.794 1.00 0.00 C ATOM 864 C PRO A 57 13.597 -7.608 2.713 1.00 0.00 C ATOM 865 O PRO A 57 13.243 -7.292 1.581 1.00 0.00 O ATOM 866 CB PRO A 57 12.274 -6.692 4.710 1.00 0.00 C ATOM 867 CG PRO A 57 13.110 -6.987 5.944 1.00 0.00 C ATOM 868 CD PRO A 57 13.131 -8.502 6.015 1.00 0.00 C ATOM 0 HA PRO A 57 11.646 -8.131 3.241 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.566 -5.751 4.243 1.00 0.00 H new ATOM 0 HB3 PRO A 57 11.214 -6.612 4.953 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.116 -6.577 5.853 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.668 -6.551 6.840 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.064 -8.858 6.452 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.322 -8.873 6.644 1.00 0.00 H new ATOM 876 N ASP A 58 14.879 -7.788 3.041 1.00 0.00 N ATOM 877 CA ASP A 58 15.971 -7.576 2.099 1.00 0.00 C ATOM 878 C ASP A 58 16.104 -8.735 1.111 1.00 0.00 C ATOM 879 O ASP A 58 16.943 -8.680 0.214 1.00 0.00 O ATOM 880 CB ASP A 58 17.285 -7.294 2.838 1.00 0.00 C ATOM 881 CG ASP A 58 17.314 -5.863 3.353 1.00 0.00 C ATOM 882 OD1 ASP A 58 17.105 -4.937 2.530 1.00 0.00 O ATOM 883 OD2 ASP A 58 17.512 -5.678 4.576 1.00 0.00 O ATOM 0 H ASP A 58 15.185 -8.085 3.968 1.00 0.00 H new ATOM 0 HA ASP A 58 15.732 -6.692 1.507 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.396 -7.988 3.671 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.128 -7.462 2.168 1.00 0.00 H new ATOM 888 N GLU A 59 15.269 -9.766 1.227 1.00 0.00 N ATOM 889 CA GLU A 59 15.256 -10.942 0.369 1.00 0.00 C ATOM 890 C GLU A 59 13.998 -11.004 -0.504 1.00 0.00 C ATOM 891 O GLU A 59 13.889 -11.890 -1.356 1.00 0.00 O ATOM 892 CB GLU A 59 15.329 -12.184 1.264 1.00 0.00 C ATOM 893 CG GLU A 59 16.730 -12.428 1.832 1.00 0.00 C ATOM 894 CD GLU A 59 17.749 -12.797 0.759 1.00 0.00 C ATOM 895 OE1 GLU A 59 17.401 -13.586 -0.151 1.00 0.00 O ATOM 896 OE2 GLU A 59 18.902 -12.319 0.836 1.00 0.00 O ATOM 0 H GLU A 59 14.554 -9.803 1.953 1.00 0.00 H new ATOM 0 HA GLU A 59 16.111 -10.894 -0.306 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.623 -12.074 2.087 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.018 -13.057 0.691 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.067 -11.532 2.353 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.683 -13.227 2.571 1.00 0.00 H new ATOM 903 N ILE A 60 13.038 -10.105 -0.284 1.00 0.00 N ATOM 904 CA ILE A 60 11.795 -10.055 -1.045 1.00 0.00 C ATOM 905 C ILE A 60 12.035 -9.198 -2.294 1.00 0.00 C ATOM 906 O ILE A 60 12.899 -8.312 -2.307 1.00 0.00 O ATOM 907 CB ILE A 60 10.661 -9.561 -0.115 1.00 0.00 C ATOM 908 CG1 ILE A 60 10.397 -10.656 0.944 1.00 0.00 C ATOM 909 CG2 ILE A 60 9.348 -9.241 -0.851 1.00 0.00 C ATOM 910 CD1 ILE A 60 9.555 -10.209 2.137 1.00 0.00 C ATOM 0 H ILE A 60 13.105 -9.385 0.435 1.00 0.00 H new ATOM 0 HA ILE A 60 11.475 -11.034 -1.403 1.00 0.00 H new ATOM 0 HB ILE A 60 10.993 -8.626 0.335 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.898 -11.496 0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.355 -11.023 1.312 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.602 -8.901 -0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.526 -8.458 -1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.985 -10.137 -1.354 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.425 -11.045 2.824 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.059 -9.391 2.652 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.579 -9.871 1.788 1.00 0.00 H new ATOM 922 N GLU A 61 11.259 -9.484 -3.338 1.00 0.00 N ATOM 923 CA GLU A 61 11.260 -8.848 -4.643 1.00 0.00 C ATOM 924 C GLU A 61 9.929 -8.133 -4.830 1.00 0.00 C ATOM 925 O GLU A 61 8.876 -8.775 -4.789 1.00 0.00 O ATOM 926 CB GLU A 61 11.458 -9.912 -5.727 1.00 0.00 C ATOM 927 CG GLU A 61 12.929 -10.054 -6.130 1.00 0.00 C ATOM 928 CD GLU A 61 13.012 -10.760 -7.478 1.00 0.00 C ATOM 929 OE1 GLU A 61 12.692 -10.099 -8.494 1.00 0.00 O ATOM 930 OE2 GLU A 61 13.302 -11.980 -7.490 1.00 0.00 O ATOM 0 H GLU A 61 10.561 -10.225 -3.283 1.00 0.00 H new ATOM 0 HA GLU A 61 12.073 -8.125 -4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.087 -10.871 -5.366 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.865 -9.651 -6.604 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.399 -9.072 -6.190 1.00 0.00 H new ATOM 0 HG3 GLU A 61 13.473 -10.621 -5.375 1.00 0.00 H new ATOM 937 N ILE A 62 9.970 -6.808 -4.972 1.00 0.00 N ATOM 938 CA ILE A 62 8.791 -5.980 -5.164 1.00 0.00 C ATOM 939 C ILE A 62 8.413 -6.028 -6.652 1.00 0.00 C ATOM 940 O ILE A 62 9.005 -5.334 -7.483 1.00 0.00 O ATOM 941 CB ILE A 62 9.067 -4.554 -4.628 1.00 0.00 C ATOM 942 CG1 ILE A 62 9.321 -4.599 -3.095 1.00 0.00 C ATOM 943 CG2 ILE A 62 7.925 -3.611 -5.050 1.00 0.00 C ATOM 944 CD1 ILE A 62 9.431 -3.244 -2.385 1.00 0.00 C ATOM 0 H ILE A 62 10.840 -6.276 -4.956 1.00 0.00 H new ATOM 0 HA ILE A 62 7.935 -6.349 -4.599 1.00 0.00 H new ATOM 0 HB ILE A 62 9.977 -4.148 -5.068 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.513 -5.164 -2.631 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.242 -5.155 -2.917 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.122 -2.608 -4.671 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.860 -3.582 -6.138 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.983 -3.975 -4.640 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.608 -3.404 -1.321 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.260 -2.677 -2.809 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.504 -2.687 -2.519 1.00 0.00 H new ATOM 956 N ASP A 63 7.373 -6.797 -6.977 1.00 0.00 N ATOM 957 CA ASP A 63 6.864 -6.968 -8.336 1.00 0.00 C ATOM 958 C ASP A 63 5.435 -6.438 -8.353 1.00 0.00 C ATOM 959 O ASP A 63 4.539 -7.028 -7.756 1.00 0.00 O ATOM 960 CB ASP A 63 6.988 -8.424 -8.805 1.00 0.00 C ATOM 961 CG ASP A 63 8.070 -8.553 -9.869 1.00 0.00 C ATOM 962 OD1 ASP A 63 9.267 -8.371 -9.564 1.00 0.00 O ATOM 963 OD2 ASP A 63 7.702 -8.784 -11.045 1.00 0.00 O ATOM 0 H ASP A 63 6.849 -7.331 -6.284 1.00 0.00 H new ATOM 0 HA ASP A 63 7.459 -6.402 -9.053 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.226 -9.066 -7.957 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.034 -8.765 -9.206 1.00 0.00 H new ATOM 968 N PHE A 64 5.180 -5.294 -8.989 1.00 0.00 N ATOM 969 CA PHE A 64 3.829 -4.699 -9.024 1.00 0.00 C ATOM 970 C PHE A 64 2.891 -5.464 -9.956 1.00 0.00 C ATOM 971 O PHE A 64 1.688 -5.208 -10.057 1.00 0.00 O ATOM 972 CB PHE A 64 3.915 -3.233 -9.453 1.00 0.00 C ATOM 973 CG PHE A 64 4.962 -2.408 -8.730 1.00 0.00 C ATOM 974 CD1 PHE A 64 5.031 -2.437 -7.326 1.00 0.00 C ATOM 975 CD2 PHE A 64 5.859 -1.602 -9.455 1.00 0.00 C ATOM 976 CE1 PHE A 64 5.987 -1.657 -6.657 1.00 0.00 C ATOM 977 CE2 PHE A 64 6.813 -0.823 -8.778 1.00 0.00 C ATOM 978 CZ PHE A 64 6.878 -0.849 -7.373 1.00 0.00 C ATOM 0 H PHE A 64 5.887 -4.755 -9.489 1.00 0.00 H new ATOM 0 HA PHE A 64 3.414 -4.762 -8.018 1.00 0.00 H new ATOM 0 HB2 PHE A 64 4.121 -3.196 -10.523 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.941 -2.769 -9.300 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.350 -3.058 -6.763 1.00 0.00 H new ATOM 0 HD2 PHE A 64 5.814 -1.582 -10.534 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.036 -1.680 -5.578 1.00 0.00 H new ATOM 0 HE2 PHE A 64 7.498 -0.203 -9.338 1.00 0.00 H new ATOM 0 HZ PHE A 64 7.610 -0.250 -6.851 1.00 0.00 H new ATOM 988 N GLU A 65 3.491 -6.417 -10.644 1.00 0.00 N ATOM 989 CA GLU A 65 2.951 -7.319 -11.609 1.00 0.00 C ATOM 990 C GLU A 65 2.228 -8.476 -10.920 1.00 0.00 C ATOM 991 O GLU A 65 1.168 -8.888 -11.383 1.00 0.00 O ATOM 992 CB GLU A 65 4.164 -7.778 -12.429 1.00 0.00 C ATOM 993 CG GLU A 65 4.995 -6.646 -13.053 1.00 0.00 C ATOM 994 CD GLU A 65 4.171 -5.719 -13.950 1.00 0.00 C ATOM 995 OE1 GLU A 65 3.862 -6.077 -15.114 1.00 0.00 O ATOM 996 OE2 GLU A 65 3.809 -4.612 -13.493 1.00 0.00 O ATOM 0 H GLU A 65 4.488 -6.586 -10.513 1.00 0.00 H new ATOM 0 HA GLU A 65 2.198 -6.860 -12.250 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.813 -8.373 -11.787 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.816 -8.435 -13.226 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.453 -6.059 -12.257 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.807 -7.079 -13.637 1.00 0.00 H new ATOM 1003 N THR A 66 2.751 -8.978 -9.799 1.00 0.00 N ATOM 1004 CA THR A 66 2.136 -10.080 -9.062 1.00 0.00 C ATOM 1005 C THR A 66 1.265 -9.549 -7.918 1.00 0.00 C ATOM 1006 O THR A 66 0.295 -10.198 -7.506 1.00 0.00 O ATOM 1007 CB THR A 66 3.251 -11.027 -8.560 1.00 0.00 C ATOM 1008 OG1 THR A 66 2.715 -12.211 -8.019 1.00 0.00 O ATOM 1009 CG2 THR A 66 4.171 -10.418 -7.500 1.00 0.00 C ATOM 0 H THR A 66 3.613 -8.631 -9.378 1.00 0.00 H new ATOM 0 HA THR A 66 1.473 -10.645 -9.717 1.00 0.00 H new ATOM 0 HB THR A 66 3.844 -11.228 -9.452 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.444 -12.790 -7.712 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.922 -11.151 -7.206 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.665 -9.537 -7.910 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.582 -10.132 -6.628 1.00 0.00 H new ATOM 1017 N LEU A 67 1.583 -8.358 -7.400 1.00 0.00 N ATOM 1018 CA LEU A 67 0.842 -7.789 -6.280 1.00 0.00 C ATOM 1019 C LEU A 67 -0.541 -7.311 -6.711 1.00 0.00 C ATOM 1020 O LEU A 67 -0.735 -6.802 -7.816 1.00 0.00 O ATOM 1021 CB LEU A 67 1.667 -6.690 -5.602 1.00 0.00 C ATOM 1022 CG LEU A 67 2.971 -7.232 -4.976 1.00 0.00 C ATOM 1023 CD1 LEU A 67 3.823 -6.066 -4.481 1.00 0.00 C ATOM 1024 CD2 LEU A 67 2.765 -8.221 -3.828 1.00 0.00 C ATOM 0 H LEU A 67 2.347 -7.774 -7.740 1.00 0.00 H new ATOM 0 HA LEU A 67 0.672 -8.570 -5.539 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.911 -5.920 -6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.066 -6.214 -4.827 1.00 0.00 H new ATOM 0 HG LEU A 67 3.470 -7.787 -5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.743 -6.449 -4.039 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.067 -5.413 -5.319 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.268 -5.502 -3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.734 -8.548 -3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.208 -7.737 -3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.206 -9.085 -4.188 1.00 0.00 H new ATOM 1036 N LYS A 68 -1.525 -7.498 -5.830 1.00 0.00 N ATOM 1037 CA LYS A 68 -2.911 -7.109 -6.078 1.00 0.00 C ATOM 1038 C LYS A 68 -3.050 -5.588 -5.956 1.00 0.00 C ATOM 1039 O LYS A 68 -2.281 -4.966 -5.217 1.00 0.00 O ATOM 1040 CB LYS A 68 -3.838 -7.817 -5.065 1.00 0.00 C ATOM 1041 CG LYS A 68 -4.229 -9.254 -5.452 1.00 0.00 C ATOM 1042 CD LYS A 68 -3.032 -10.197 -5.654 1.00 0.00 C ATOM 1043 CE LYS A 68 -3.442 -11.658 -5.870 1.00 0.00 C ATOM 1044 NZ LYS A 68 -4.120 -12.251 -4.702 1.00 0.00 N ATOM 0 H LYS A 68 -1.379 -7.928 -4.917 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.198 -7.408 -7.086 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.344 -7.838 -4.093 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.746 -7.226 -4.949 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.875 -9.665 -4.676 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.814 -9.225 -6.371 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.452 -9.859 -6.513 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.378 -10.135 -4.784 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.103 -11.719 -6.735 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.555 -12.247 -6.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.220 -13.277 -4.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.557 -12.072 -3.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.062 -11.823 -4.593 1.00 0.00 H new ATOM 1058 N PRO A 69 -4.073 -4.976 -6.584 1.00 0.00 N ATOM 1059 CA PRO A 69 -4.301 -3.537 -6.517 1.00 0.00 C ATOM 1060 C PRO A 69 -4.557 -3.064 -5.081 1.00 0.00 C ATOM 1061 O PRO A 69 -4.344 -1.893 -4.765 1.00 0.00 O ATOM 1062 CB PRO A 69 -5.455 -3.255 -7.474 1.00 0.00 C ATOM 1063 CG PRO A 69 -6.190 -4.586 -7.576 1.00 0.00 C ATOM 1064 CD PRO A 69 -5.048 -5.590 -7.471 1.00 0.00 C ATOM 0 HA PRO A 69 -3.420 -2.971 -6.819 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -6.106 -2.469 -7.092 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.093 -2.924 -8.448 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -6.918 -4.712 -6.775 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.732 -4.682 -8.517 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.398 -6.542 -7.071 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.614 -5.795 -8.450 1.00 0.00 H new ATOM 1072 N SER A 70 -5.012 -3.952 -4.200 1.00 0.00 N ATOM 1073 CA SER A 70 -5.272 -3.648 -2.809 1.00 0.00 C ATOM 1074 C SER A 70 -3.955 -3.530 -2.029 1.00 0.00 C ATOM 1075 O SER A 70 -3.837 -2.675 -1.160 1.00 0.00 O ATOM 1076 CB SER A 70 -6.177 -4.754 -2.251 1.00 0.00 C ATOM 1077 OG SER A 70 -5.749 -6.035 -2.695 1.00 0.00 O ATOM 0 H SER A 70 -5.212 -4.921 -4.446 1.00 0.00 H new ATOM 0 HA SER A 70 -5.776 -2.687 -2.709 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.168 -4.721 -1.162 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.206 -4.581 -2.567 1.00 0.00 H new ATOM 0 HG SER A 70 -6.340 -6.724 -2.325 1.00 0.00 H new ATOM 1083 N THR A 71 -2.947 -4.357 -2.334 1.00 0.00 N ATOM 1084 CA THR A 71 -1.665 -4.322 -1.638 1.00 0.00 C ATOM 1085 C THR A 71 -0.986 -2.974 -1.902 1.00 0.00 C ATOM 1086 O THR A 71 -0.388 -2.396 -0.993 1.00 0.00 O ATOM 1087 CB THR A 71 -0.808 -5.533 -2.066 1.00 0.00 C ATOM 1088 OG1 THR A 71 -1.541 -6.744 -1.895 1.00 0.00 O ATOM 1089 CG2 THR A 71 0.472 -5.646 -1.235 1.00 0.00 C ATOM 0 H THR A 71 -3.001 -5.064 -3.067 1.00 0.00 H new ATOM 0 HA THR A 71 -1.804 -4.405 -0.560 1.00 0.00 H new ATOM 0 HB THR A 71 -0.549 -5.378 -3.113 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.987 -7.504 -2.171 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.047 -6.511 -1.568 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.069 -4.743 -1.362 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.213 -5.765 -0.183 1.00 0.00 H new ATOM 1097 N LEU A 72 -1.138 -2.429 -3.112 1.00 0.00 N ATOM 1098 CA LEU A 72 -0.537 -1.149 -3.458 1.00 0.00 C ATOM 1099 C LEU A 72 -1.237 -0.004 -2.719 1.00 0.00 C ATOM 1100 O LEU A 72 -0.603 0.991 -2.395 1.00 0.00 O ATOM 1101 CB LEU A 72 -0.646 -0.882 -4.960 1.00 0.00 C ATOM 1102 CG LEU A 72 0.043 -1.915 -5.861 1.00 0.00 C ATOM 1103 CD1 LEU A 72 -0.561 -1.882 -7.262 1.00 0.00 C ATOM 1104 CD2 LEU A 72 1.551 -1.684 -5.972 1.00 0.00 C ATOM 0 H LEU A 72 -1.674 -2.859 -3.866 1.00 0.00 H new ATOM 0 HA LEU A 72 0.512 -1.197 -3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.701 -0.836 -5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.221 0.100 -5.170 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.119 -2.888 -5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.063 -2.620 -7.891 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.625 -2.113 -7.205 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.428 -0.889 -7.692 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.989 -2.443 -6.621 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.738 -0.696 -6.392 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.003 -1.749 -4.982 1.00 0.00 H new ATOM 1116 N ARG A 73 -2.546 -0.115 -2.461 1.00 0.00 N ATOM 1117 CA ARG A 73 -3.332 0.910 -1.767 1.00 0.00 C ATOM 1118 C ARG A 73 -2.761 1.164 -0.374 1.00 0.00 C ATOM 1119 O ARG A 73 -2.650 2.313 0.051 1.00 0.00 O ATOM 1120 CB ARG A 73 -4.794 0.436 -1.672 1.00 0.00 C ATOM 1121 CG ARG A 73 -5.846 1.533 -1.443 1.00 0.00 C ATOM 1122 CD ARG A 73 -6.108 2.409 -2.683 1.00 0.00 C ATOM 1123 NE ARG A 73 -7.493 2.917 -2.694 1.00 0.00 N ATOM 1124 CZ ARG A 73 -8.041 3.763 -3.577 1.00 0.00 C ATOM 1125 NH1 ARG A 73 -7.323 4.339 -4.534 1.00 0.00 N ATOM 1126 NH2 ARG A 73 -9.338 4.016 -3.498 1.00 0.00 N ATOM 0 H ARG A 73 -3.095 -0.930 -2.732 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.288 1.846 -2.324 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.044 -0.093 -2.592 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.869 -0.286 -0.859 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.782 1.068 -1.134 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.520 2.171 -0.621 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.411 3.247 -2.694 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.923 1.829 -3.587 1.00 0.00 H new ATOM 0 HE ARG A 73 -8.102 2.587 -1.945 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.325 4.142 -4.612 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.769 4.979 -5.191 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.901 3.570 -2.774 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.774 4.657 -4.161 1.00 0.00 H new ATOM 1140 N GLU A 74 -2.351 0.094 0.304 1.00 0.00 N ATOM 1141 CA GLU A 74 -1.789 0.161 1.647 1.00 0.00 C ATOM 1142 C GLU A 74 -0.456 0.916 1.630 1.00 0.00 C ATOM 1143 O GLU A 74 -0.130 1.626 2.589 1.00 0.00 O ATOM 1144 CB GLU A 74 -1.584 -1.271 2.169 1.00 0.00 C ATOM 1145 CG GLU A 74 -2.769 -1.918 2.897 1.00 0.00 C ATOM 1146 CD GLU A 74 -4.154 -1.719 2.270 1.00 0.00 C ATOM 1147 OE1 GLU A 74 -4.674 -0.579 2.296 1.00 0.00 O ATOM 1148 OE2 GLU A 74 -4.765 -2.735 1.869 1.00 0.00 O ATOM 0 H GLU A 74 -2.401 -0.854 -0.070 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.473 0.698 2.304 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.317 -1.906 1.324 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.730 -1.267 2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.580 -2.989 2.971 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.797 -1.528 3.915 1.00 0.00 H new ATOM 1155 N LEU A 75 0.324 0.735 0.560 1.00 0.00 N ATOM 1156 CA LEU A 75 1.618 1.372 0.359 1.00 0.00 C ATOM 1157 C LEU A 75 1.410 2.849 0.047 1.00 0.00 C ATOM 1158 O LEU A 75 2.111 3.676 0.630 1.00 0.00 O ATOM 1159 CB LEU A 75 2.382 0.699 -0.785 1.00 0.00 C ATOM 1160 CG LEU A 75 2.771 -0.765 -0.550 1.00 0.00 C ATOM 1161 CD1 LEU A 75 3.351 -1.358 -1.831 1.00 0.00 C ATOM 1162 CD2 LEU A 75 3.836 -0.888 0.529 1.00 0.00 C ATOM 0 H LEU A 75 0.059 0.121 -0.211 1.00 0.00 H new ATOM 0 HA LEU A 75 2.207 1.269 1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.773 0.754 -1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.290 1.271 -0.978 1.00 0.00 H new ATOM 0 HG LEU A 75 1.870 -1.295 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.626 -2.399 -1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.607 -1.306 -2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.236 -0.793 -2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.090 -1.938 0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.727 -0.337 0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.456 -0.476 1.464 1.00 0.00 H new ATOM 1174 N GLU A 76 0.463 3.177 -0.839 1.00 0.00 N ATOM 1175 CA GLU A 76 0.111 4.543 -1.231 1.00 0.00 C ATOM 1176 C GLU A 76 -0.252 5.322 0.032 1.00 0.00 C ATOM 1177 O GLU A 76 0.287 6.396 0.287 1.00 0.00 O ATOM 1178 CB GLU A 76 -1.010 4.513 -2.288 1.00 0.00 C ATOM 1179 CG GLU A 76 -1.901 5.767 -2.369 1.00 0.00 C ATOM 1180 CD GLU A 76 -1.163 7.108 -2.458 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -0.077 7.180 -3.080 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -1.706 8.084 -1.888 1.00 0.00 O ATOM 0 H GLU A 76 -0.098 2.473 -1.319 1.00 0.00 H new ATOM 0 HA GLU A 76 0.949 5.055 -1.704 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.555 4.352 -3.265 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.647 3.652 -2.087 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.549 5.673 -3.240 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.547 5.787 -1.491 1.00 0.00 H new ATOM 1189 N ARG A 77 -1.123 4.756 0.870 1.00 0.00 N ATOM 1190 CA ARG A 77 -1.536 5.397 2.108 1.00 0.00 C ATOM 1191 C ARG A 77 -0.314 5.713 2.973 1.00 0.00 C ATOM 1192 O ARG A 77 -0.263 6.772 3.603 1.00 0.00 O ATOM 1193 CB ARG A 77 -2.524 4.470 2.824 1.00 0.00 C ATOM 1194 CG ARG A 77 -3.319 5.243 3.875 1.00 0.00 C ATOM 1195 CD ARG A 77 -4.146 4.329 4.789 1.00 0.00 C ATOM 1196 NE ARG A 77 -4.930 5.111 5.763 1.00 0.00 N ATOM 1197 CZ ARG A 77 -4.439 5.839 6.777 1.00 0.00 C ATOM 1198 NH1 ARG A 77 -3.146 5.817 7.081 1.00 0.00 N ATOM 1199 NH2 ARG A 77 -5.241 6.605 7.503 1.00 0.00 N ATOM 0 H ARG A 77 -1.556 3.847 0.706 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.031 6.346 1.903 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.205 4.025 2.099 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.984 3.650 3.298 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.632 5.831 4.483 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.984 5.947 3.375 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.817 3.719 4.185 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.483 3.645 5.318 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.944 5.097 5.655 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.504 5.238 6.539 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.795 6.379 7.856 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.238 6.643 7.292 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.861 7.156 8.273 1.00 0.00 H new ATOM 1213 N TYR A 78 0.644 4.787 3.035 1.00 0.00 N ATOM 1214 CA TYR A 78 1.865 4.959 3.808 1.00 0.00 C ATOM 1215 C TYR A 78 2.714 6.097 3.229 1.00 0.00 C ATOM 1216 O TYR A 78 2.993 7.037 3.974 1.00 0.00 O ATOM 1217 CB TYR A 78 2.645 3.641 3.936 1.00 0.00 C ATOM 1218 CG TYR A 78 3.879 3.714 4.822 1.00 0.00 C ATOM 1219 CD1 TYR A 78 3.744 3.779 6.225 1.00 0.00 C ATOM 1220 CD2 TYR A 78 5.167 3.671 4.250 1.00 0.00 C ATOM 1221 CE1 TYR A 78 4.886 3.825 7.049 1.00 0.00 C ATOM 1222 CE2 TYR A 78 6.311 3.701 5.069 1.00 0.00 C ATOM 1223 CZ TYR A 78 6.175 3.803 6.469 1.00 0.00 C ATOM 1224 OH TYR A 78 7.281 3.885 7.256 1.00 0.00 O ATOM 0 H TYR A 78 0.590 3.893 2.546 1.00 0.00 H new ATOM 0 HA TYR A 78 1.592 5.246 4.823 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.976 2.876 4.331 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.948 3.316 2.941 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.760 3.794 6.670 1.00 0.00 H new ATOM 0 HD2 TYR A 78 5.276 3.615 3.177 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.777 3.877 8.122 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.294 3.646 4.625 1.00 0.00 H new ATOM 0 HH TYR A 78 8.084 3.855 6.696 1.00 0.00 H new ATOM 1234 N VAL A 79 3.107 6.068 1.944 1.00 0.00 N ATOM 1235 CA VAL A 79 3.934 7.136 1.363 1.00 0.00 C ATOM 1236 C VAL A 79 3.255 8.495 1.519 1.00 0.00 C ATOM 1237 O VAL A 79 3.873 9.419 2.045 1.00 0.00 O ATOM 1238 CB VAL A 79 4.392 6.871 -0.091 1.00 0.00 C ATOM 1239 CG1 VAL A 79 5.069 5.504 -0.231 1.00 0.00 C ATOM 1240 CG2 VAL A 79 3.289 6.948 -1.149 1.00 0.00 C ATOM 0 H VAL A 79 2.866 5.321 1.293 1.00 0.00 H new ATOM 0 HA VAL A 79 4.859 7.146 1.939 1.00 0.00 H new ATOM 0 HB VAL A 79 5.090 7.686 -0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.376 5.355 -1.266 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.944 5.463 0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.368 4.720 0.056 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.714 6.747 -2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.520 6.208 -0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.846 7.944 -1.141 1.00 0.00 H new ATOM 1250 N THR A 80 1.969 8.608 1.194 1.00 0.00 N ATOM 1251 CA THR A 80 1.217 9.848 1.306 1.00 0.00 C ATOM 1252 C THR A 80 1.164 10.327 2.761 1.00 0.00 C ATOM 1253 O THR A 80 1.054 11.529 3.014 1.00 0.00 O ATOM 1254 CB THR A 80 -0.139 9.616 0.626 1.00 0.00 C ATOM 1255 OG1 THR A 80 0.181 9.411 -0.728 1.00 0.00 O ATOM 1256 CG2 THR A 80 -1.107 10.792 0.696 1.00 0.00 C ATOM 0 H THR A 80 1.415 7.827 0.841 1.00 0.00 H new ATOM 0 HA THR A 80 1.699 10.679 0.790 1.00 0.00 H new ATOM 0 HB THR A 80 -0.645 8.792 1.129 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.639 9.235 -1.235 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.035 10.530 0.188 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.318 11.028 1.739 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.660 11.660 0.211 1.00 0.00 H new ATOM 1264 N SER A 81 1.297 9.440 3.751 1.00 0.00 N ATOM 1265 CA SER A 81 1.287 9.851 5.148 1.00 0.00 C ATOM 1266 C SER A 81 2.682 10.313 5.591 1.00 0.00 C ATOM 1267 O SER A 81 2.790 10.970 6.622 1.00 0.00 O ATOM 1268 CB SER A 81 0.806 8.715 6.058 1.00 0.00 C ATOM 1269 OG SER A 81 -0.529 8.356 5.767 1.00 0.00 O ATOM 0 H SER A 81 1.412 8.437 3.607 1.00 0.00 H new ATOM 0 HA SER A 81 0.591 10.686 5.237 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.454 7.847 5.934 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.883 9.024 7.101 1.00 0.00 H new ATOM 0 HG SER A 81 -0.554 7.837 4.936 1.00 0.00 H new ATOM 1275 N CYS A 82 3.738 9.975 4.847 1.00 0.00 N ATOM 1276 CA CYS A 82 5.114 10.361 5.134 1.00 0.00 C ATOM 1277 C CYS A 82 5.471 11.649 4.384 1.00 0.00 C ATOM 1278 O CYS A 82 5.984 12.592 4.974 1.00 0.00 O ATOM 1279 CB CYS A 82 6.080 9.246 4.694 1.00 0.00 C ATOM 1280 SG CYS A 82 5.671 7.650 5.462 1.00 0.00 S ATOM 0 H CYS A 82 3.652 9.408 4.004 1.00 0.00 H new ATOM 0 HA CYS A 82 5.206 10.525 6.208 1.00 0.00 H new ATOM 0 HB2 CYS A 82 6.048 9.145 3.609 1.00 0.00 H new ATOM 0 HB3 CYS A 82 7.100 9.525 4.958 1.00 0.00 H new ATOM 0 HG CYS A 82 4.564 7.195 4.954 1.00 0.00 H new ATOM 1286 N LEU A 83 5.197 11.673 3.075 1.00 0.00 N ATOM 1287 CA LEU A 83 5.482 12.771 2.160 1.00 0.00 C ATOM 1288 C LEU A 83 4.504 13.933 2.299 1.00 0.00 C ATOM 1289 O LEU A 83 4.922 15.060 2.545 1.00 0.00 O ATOM 1290 CB LEU A 83 5.470 12.251 0.704 1.00 0.00 C ATOM 1291 CG LEU A 83 6.384 11.042 0.426 1.00 0.00 C ATOM 1292 CD1 LEU A 83 6.226 10.597 -1.032 1.00 0.00 C ATOM 1293 CD2 LEU A 83 7.858 11.351 0.719 1.00 0.00 C ATOM 0 H LEU A 83 4.748 10.886 2.607 1.00 0.00 H new ATOM 0 HA LEU A 83 6.469 13.154 2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.447 11.980 0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.763 13.066 0.043 1.00 0.00 H new ATOM 0 HG LEU A 83 6.078 10.238 1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.874 9.742 -1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.189 10.315 -1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.502 11.417 -1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.463 10.469 0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.189 12.177 0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.971 11.626 1.768 1.00 0.00 H new