USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 814 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 MET CE :methyl 163:sc= -6.09! (180deg=-2.47) USER MOD Set 1.2: A 100 GLN : amide:sc= -3.39! K(o=-9.5!,f=-6.8) USER MOD Set 2.1: A 43 HIS : no HD1:sc= -0.547 K(o=-1,f=-1.6) USER MOD Set 2.2: A 115 TYR OH : rot 15:sc= -0.475 USER MOD Set 3.1: A 33 SER OG : rot 178:sc= 1.39! USER MOD Set 3.2: A 39 TYR OH : rot 175:sc= 1.56 USER MOD Single : A 17 GLN : amide:sc= -0.505 X(o=-0.5,f=-0.24) USER MOD Single : A 18 LYS NZ :NH3+ -117:sc= 0.131 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0219 USER MOD Single : A 26 GLN : amide:sc= -0.777 K(o=-0.78,f=-4.8!) USER MOD Single : A 44 HIS : no HD1:sc= -0.398 X(o=-0.4,f=-0.17) USER MOD Single : A 52 LYS NZ :NH3+ -138:sc= 0.00483 (180deg=-2.75!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 154:sc=-0.00414 (180deg=-0.412) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.00421 USER MOD Single : A 89 GLN : amide:sc= -0.1 X(o=-0.1,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= -0.728! USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 152:sc= -0.0245 (180deg=-0.438) USER MOD Single : A 106 ASN : amide:sc= 0.0792 X(o=0.079,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 103:sc= 1.14 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 156 N GLU A 11 -11.219 10.696 0.769 1.00 0.00 N ATOM 157 CA GLU A 11 -10.491 11.601 1.703 1.00 0.00 C ATOM 158 C GLU A 11 -9.309 10.856 2.327 1.00 0.00 C ATOM 159 O GLU A 11 -8.250 11.414 2.533 1.00 0.00 O ATOM 160 CB GLU A 11 -11.443 12.059 2.810 1.00 0.00 C ATOM 161 CG GLU A 11 -11.230 13.549 3.083 1.00 0.00 C ATOM 162 CD GLU A 11 -12.289 14.044 4.069 1.00 0.00 C ATOM 163 OE1 GLU A 11 -12.160 13.748 5.246 1.00 0.00 O ATOM 164 OE2 GLU A 11 -13.212 14.711 3.631 1.00 0.00 O ATOM 0 HA GLU A 11 -10.123 12.467 1.153 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.476 11.877 2.514 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.265 11.483 3.718 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.233 13.716 3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.293 14.113 2.152 1.00 0.00 H new ATOM 171 N GLU A 12 -9.481 9.600 2.634 1.00 0.00 N ATOM 172 CA GLU A 12 -8.367 8.824 3.247 1.00 0.00 C ATOM 173 C GLU A 12 -7.325 8.494 2.177 1.00 0.00 C ATOM 174 O GLU A 12 -6.203 8.959 2.223 1.00 0.00 O ATOM 175 CB GLU A 12 -8.916 7.526 3.842 1.00 0.00 C ATOM 176 CG GLU A 12 -10.314 7.777 4.409 1.00 0.00 C ATOM 177 CD GLU A 12 -10.242 8.856 5.489 1.00 0.00 C ATOM 178 OE1 GLU A 12 -9.941 8.516 6.622 1.00 0.00 O ATOM 179 OE2 GLU A 12 -10.489 10.007 5.166 1.00 0.00 O ATOM 0 H GLU A 12 -10.345 9.078 2.487 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.903 9.417 4.035 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.956 6.751 3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.253 7.164 4.628 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.990 8.089 3.613 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.719 6.856 4.827 1.00 0.00 H new ATOM 186 N LEU A 13 -7.686 7.691 1.215 1.00 0.00 N ATOM 187 CA LEU A 13 -6.717 7.328 0.143 1.00 0.00 C ATOM 188 C LEU A 13 -5.848 8.541 -0.200 1.00 0.00 C ATOM 189 O LEU A 13 -4.669 8.416 -0.466 1.00 0.00 O ATOM 190 CB LEU A 13 -7.484 6.882 -1.104 1.00 0.00 C ATOM 191 CG LEU A 13 -8.787 6.198 -0.684 1.00 0.00 C ATOM 192 CD1 LEU A 13 -9.475 5.610 -1.917 1.00 0.00 C ATOM 193 CD2 LEU A 13 -8.474 5.075 0.308 1.00 0.00 C ATOM 0 H LEU A 13 -8.611 7.270 1.125 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.080 6.515 0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.700 7.742 -1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.875 6.197 -1.693 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.446 6.928 -0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.403 5.123 -1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.696 6.408 -2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.817 4.879 -2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.401 4.586 0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.816 4.346 -0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.982 5.492 1.187 1.00 0.00 H new ATOM 205 N ILE A 14 -6.419 9.716 -0.196 1.00 0.00 N ATOM 206 CA ILE A 14 -5.622 10.932 -0.523 1.00 0.00 C ATOM 207 C ILE A 14 -4.616 11.202 0.597 1.00 0.00 C ATOM 208 O ILE A 14 -3.426 11.299 0.367 1.00 0.00 O ATOM 209 CB ILE A 14 -6.558 12.134 -0.665 1.00 0.00 C ATOM 210 CG1 ILE A 14 -7.192 12.125 -2.059 1.00 0.00 C ATOM 211 CG2 ILE A 14 -5.760 13.426 -0.478 1.00 0.00 C ATOM 212 CD1 ILE A 14 -8.507 12.904 -2.026 1.00 0.00 C ATOM 0 H ILE A 14 -7.402 9.885 0.019 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.089 10.773 -1.460 1.00 0.00 H new ATOM 0 HB ILE A 14 -7.341 12.076 0.091 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.510 12.572 -2.783 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.372 11.100 -2.382 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.426 14.283 -0.579 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.307 13.434 0.513 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.978 13.483 -1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.959 12.898 -3.018 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -9.188 12.438 -1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -8.313 13.933 -1.722 1.00 0.00 H new ATOM 224 N GLU A 15 -5.083 11.324 1.809 1.00 0.00 N ATOM 225 CA GLU A 15 -4.155 11.589 2.944 1.00 0.00 C ATOM 226 C GLU A 15 -3.031 10.550 2.938 1.00 0.00 C ATOM 227 O GLU A 15 -1.863 10.883 2.943 1.00 0.00 O ATOM 228 CB GLU A 15 -4.928 11.500 4.265 1.00 0.00 C ATOM 229 CG GLU A 15 -4.815 12.829 5.019 1.00 0.00 C ATOM 230 CD GLU A 15 -5.789 13.843 4.415 1.00 0.00 C ATOM 231 OE1 GLU A 15 -5.535 14.295 3.311 1.00 0.00 O ATOM 232 OE2 GLU A 15 -6.773 14.149 5.068 1.00 0.00 O ATOM 0 H GLU A 15 -6.068 11.252 2.062 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.727 12.586 2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.975 11.269 4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.531 10.689 4.876 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.037 12.680 6.076 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.795 13.208 4.958 1.00 0.00 H new ATOM 239 N ILE A 16 -3.376 9.292 2.932 1.00 0.00 N ATOM 240 CA ILE A 16 -2.332 8.229 2.930 1.00 0.00 C ATOM 241 C ILE A 16 -1.287 8.531 1.853 1.00 0.00 C ATOM 242 O ILE A 16 -0.114 8.670 2.136 1.00 0.00 O ATOM 243 CB ILE A 16 -2.983 6.877 2.636 1.00 0.00 C ATOM 244 CG1 ILE A 16 -4.088 6.610 3.660 1.00 0.00 C ATOM 245 CG2 ILE A 16 -1.928 5.773 2.727 1.00 0.00 C ATOM 246 CD1 ILE A 16 -4.823 5.319 3.294 1.00 0.00 C ATOM 0 H ILE A 16 -4.338 8.954 2.928 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.848 8.200 3.906 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.411 6.890 1.634 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.660 6.526 4.659 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.788 7.446 3.682 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.391 4.809 2.518 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.139 5.962 1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.501 5.760 3.730 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.610 5.129 4.024 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.264 5.420 2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.119 4.487 3.295 1.00 0.00 H new ATOM 258 N GLN A 17 -1.703 8.627 0.621 1.00 0.00 N ATOM 259 CA GLN A 17 -0.733 8.911 -0.475 1.00 0.00 C ATOM 260 C GLN A 17 0.114 10.134 -0.111 1.00 0.00 C ATOM 261 O GLN A 17 1.328 10.090 -0.136 1.00 0.00 O ATOM 262 CB GLN A 17 -1.497 9.186 -1.773 1.00 0.00 C ATOM 263 CG GLN A 17 -1.252 8.046 -2.764 1.00 0.00 C ATOM 264 CD GLN A 17 -1.970 6.785 -2.279 1.00 0.00 C ATOM 265 OE1 GLN A 17 -1.359 5.748 -2.118 1.00 0.00 O ATOM 266 NE2 GLN A 17 -3.251 6.831 -2.038 1.00 0.00 N ATOM 0 H GLN A 17 -2.673 8.521 0.325 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.080 8.049 -0.612 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.563 9.279 -1.567 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -1.172 10.133 -2.205 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.614 8.326 -3.753 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.183 7.855 -2.858 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.764 7.702 -2.173 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.739 5.996 -1.714 1.00 0.00 H new ATOM 275 N LYS A 18 -0.515 11.225 0.221 1.00 0.00 N ATOM 276 CA LYS A 18 0.253 12.452 0.580 1.00 0.00 C ATOM 277 C LYS A 18 1.467 12.078 1.435 1.00 0.00 C ATOM 278 O LYS A 18 2.577 12.494 1.166 1.00 0.00 O ATOM 279 CB LYS A 18 -0.650 13.404 1.367 1.00 0.00 C ATOM 280 CG LYS A 18 -1.227 14.462 0.424 1.00 0.00 C ATOM 281 CD LYS A 18 -1.901 15.566 1.243 1.00 0.00 C ATOM 282 CE LYS A 18 -3.411 15.533 1.005 1.00 0.00 C ATOM 283 NZ LYS A 18 -4.065 16.603 1.810 1.00 0.00 N ATOM 0 H LYS A 18 -1.530 11.322 0.260 1.00 0.00 H new ATOM 0 HA LYS A 18 0.596 12.940 -0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.457 12.846 1.842 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.082 13.884 2.164 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.434 14.885 -0.193 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.949 14.005 -0.253 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.687 15.429 2.303 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.499 16.539 0.960 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.626 15.677 -0.054 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.812 14.558 1.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.707 16.171 2.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.338 17.156 2.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.607 17.229 1.180 1.00 0.00 H new ATOM 297 N GLU A 19 1.266 11.305 2.467 1.00 0.00 N ATOM 298 CA GLU A 19 2.411 10.918 3.342 1.00 0.00 C ATOM 299 C GLU A 19 3.307 9.910 2.617 1.00 0.00 C ATOM 300 O GLU A 19 4.511 10.067 2.560 1.00 0.00 O ATOM 301 CB GLU A 19 1.878 10.287 4.631 1.00 0.00 C ATOM 302 CG GLU A 19 3.035 10.063 5.606 1.00 0.00 C ATOM 303 CD GLU A 19 2.524 9.324 6.845 1.00 0.00 C ATOM 304 OE1 GLU A 19 1.764 8.384 6.678 1.00 0.00 O ATOM 305 OE2 GLU A 19 2.902 9.711 7.939 1.00 0.00 O ATOM 0 H GLU A 19 0.360 10.925 2.743 1.00 0.00 H new ATOM 0 HA GLU A 19 2.993 11.808 3.581 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.128 10.936 5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.387 9.339 4.409 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.823 9.485 5.124 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.472 11.019 5.894 1.00 0.00 H new ATOM 312 N GLU A 20 2.735 8.873 2.071 1.00 0.00 N ATOM 313 CA GLU A 20 3.562 7.857 1.360 1.00 0.00 C ATOM 314 C GLU A 20 4.499 8.550 0.368 1.00 0.00 C ATOM 315 O GLU A 20 5.705 8.436 0.456 1.00 0.00 O ATOM 316 CB GLU A 20 2.647 6.888 0.606 1.00 0.00 C ATOM 317 CG GLU A 20 3.357 5.543 0.436 1.00 0.00 C ATOM 318 CD GLU A 20 2.445 4.574 -0.318 1.00 0.00 C ATOM 319 OE1 GLU A 20 1.240 4.749 -0.245 1.00 0.00 O ATOM 320 OE2 GLU A 20 2.967 3.675 -0.955 1.00 0.00 O ATOM 0 H GLU A 20 1.733 8.685 2.086 1.00 0.00 H new ATOM 0 HA GLU A 20 4.156 7.306 2.089 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.714 6.752 1.153 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.388 7.300 -0.369 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.290 5.679 -0.110 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.616 5.131 1.411 1.00 0.00 H new ATOM 327 N THR A 21 3.954 9.264 -0.579 1.00 0.00 N ATOM 328 CA THR A 21 4.815 9.958 -1.580 1.00 0.00 C ATOM 329 C THR A 21 5.859 10.812 -0.857 1.00 0.00 C ATOM 330 O THR A 21 7.049 10.616 -1.011 1.00 0.00 O ATOM 331 CB THR A 21 3.945 10.855 -2.464 1.00 0.00 C ATOM 332 OG1 THR A 21 2.767 10.152 -2.835 1.00 0.00 O ATOM 333 CG2 THR A 21 4.721 11.252 -3.722 1.00 0.00 C ATOM 0 H THR A 21 2.950 9.397 -0.703 1.00 0.00 H new ATOM 0 HA THR A 21 5.321 9.217 -2.198 1.00 0.00 H new ATOM 0 HB THR A 21 3.675 11.754 -1.910 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.208 10.725 -3.400 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.097 11.890 -4.348 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.623 11.793 -3.437 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.996 10.356 -4.278 1.00 0.00 H new ATOM 341 N ARG A 22 5.427 11.762 -0.073 1.00 0.00 N ATOM 342 CA ARG A 22 6.398 12.630 0.654 1.00 0.00 C ATOM 343 C ARG A 22 7.613 11.799 1.073 1.00 0.00 C ATOM 344 O ARG A 22 8.744 12.209 0.902 1.00 0.00 O ATOM 345 CB ARG A 22 5.725 13.220 1.895 1.00 0.00 C ATOM 346 CG ARG A 22 4.767 14.339 1.475 1.00 0.00 C ATOM 347 CD ARG A 22 5.330 15.696 1.911 1.00 0.00 C ATOM 348 NE ARG A 22 4.927 15.971 3.319 1.00 0.00 N ATOM 349 CZ ARG A 22 5.526 16.911 3.997 1.00 0.00 C ATOM 350 NH1 ARG A 22 6.481 17.607 3.444 1.00 0.00 N ATOM 351 NH2 ARG A 22 5.168 17.157 5.228 1.00 0.00 N ATOM 0 H ARG A 22 4.444 11.975 0.096 1.00 0.00 H new ATOM 0 HA ARG A 22 6.723 13.439 0.000 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.180 12.442 2.430 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.478 13.610 2.579 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.627 14.324 0.394 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.787 14.180 1.926 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.417 15.695 1.826 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.959 16.483 1.255 1.00 0.00 H new ATOM 0 HE ARG A 22 4.183 15.424 3.753 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.759 17.416 2.481 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.949 18.342 3.974 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.420 16.614 5.660 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.636 17.892 5.758 1.00 0.00 H new ATOM 365 N ASP A 23 7.390 10.635 1.621 1.00 0.00 N ATOM 366 CA ASP A 23 8.537 9.784 2.047 1.00 0.00 C ATOM 367 C ASP A 23 9.389 9.433 0.827 1.00 0.00 C ATOM 368 O ASP A 23 10.603 9.459 0.876 1.00 0.00 O ATOM 369 CB ASP A 23 8.009 8.497 2.687 1.00 0.00 C ATOM 370 CG ASP A 23 9.078 7.912 3.612 1.00 0.00 C ATOM 371 OD1 ASP A 23 10.134 8.512 3.721 1.00 0.00 O ATOM 372 OD2 ASP A 23 8.821 6.871 4.195 1.00 0.00 O ATOM 0 H ASP A 23 6.466 10.238 1.792 1.00 0.00 H new ATOM 0 HA ASP A 23 9.143 10.327 2.772 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.099 8.705 3.251 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.747 7.775 1.914 1.00 0.00 H new ATOM 377 N ILE A 24 8.762 9.102 -0.268 1.00 0.00 N ATOM 378 CA ILE A 24 9.534 8.747 -1.493 1.00 0.00 C ATOM 379 C ILE A 24 10.280 9.981 -2.004 1.00 0.00 C ATOM 380 O ILE A 24 11.493 10.039 -1.982 1.00 0.00 O ATOM 381 CB ILE A 24 8.571 8.249 -2.571 1.00 0.00 C ATOM 382 CG1 ILE A 24 7.710 7.121 -1.998 1.00 0.00 C ATOM 383 CG2 ILE A 24 9.368 7.725 -3.768 1.00 0.00 C ATOM 384 CD1 ILE A 24 6.821 6.545 -3.101 1.00 0.00 C ATOM 0 H ILE A 24 7.748 9.062 -0.368 1.00 0.00 H new ATOM 0 HA ILE A 24 10.253 7.963 -1.256 1.00 0.00 H new ATOM 0 HB ILE A 24 7.931 9.070 -2.895 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.346 6.339 -1.584 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.095 7.498 -1.181 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.680 7.370 -4.536 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.983 8.527 -4.175 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.009 6.904 -3.447 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.208 5.742 -2.692 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.175 7.330 -3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.445 6.152 -3.904 1.00 0.00 H new ATOM 396 N ILE A 25 9.565 10.970 -2.467 1.00 0.00 N ATOM 397 CA ILE A 25 10.235 12.198 -2.980 1.00 0.00 C ATOM 398 C ILE A 25 11.353 12.609 -2.019 1.00 0.00 C ATOM 399 O ILE A 25 12.371 13.133 -2.425 1.00 0.00 O ATOM 400 CB ILE A 25 9.213 13.331 -3.087 1.00 0.00 C ATOM 401 CG1 ILE A 25 7.995 12.845 -3.876 1.00 0.00 C ATOM 402 CG2 ILE A 25 9.847 14.524 -3.808 1.00 0.00 C ATOM 403 CD1 ILE A 25 8.461 12.054 -5.099 1.00 0.00 C ATOM 0 H ILE A 25 8.546 10.980 -2.512 1.00 0.00 H new ATOM 0 HA ILE A 25 10.658 11.996 -3.964 1.00 0.00 H new ATOM 0 HB ILE A 25 8.901 13.635 -2.088 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.365 12.219 -3.244 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.389 13.695 -4.189 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.119 15.332 -3.885 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.715 14.870 -3.246 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.159 14.221 -4.807 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.593 11.708 -5.661 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.073 12.694 -5.735 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.049 11.196 -4.775 1.00 0.00 H new ATOM 415 N GLN A 26 11.171 12.377 -0.748 1.00 0.00 N ATOM 416 CA GLN A 26 12.225 12.757 0.235 1.00 0.00 C ATOM 417 C GLN A 26 13.444 11.852 0.048 1.00 0.00 C ATOM 418 O GLN A 26 14.527 12.309 -0.259 1.00 0.00 O ATOM 419 CB GLN A 26 11.680 12.596 1.655 1.00 0.00 C ATOM 420 CG GLN A 26 10.699 13.730 1.957 1.00 0.00 C ATOM 421 CD GLN A 26 11.477 14.983 2.366 1.00 0.00 C ATOM 422 OE1 GLN A 26 12.460 15.332 1.744 1.00 0.00 O ATOM 423 NE2 GLN A 26 11.074 15.679 3.394 1.00 0.00 N ATOM 0 H GLN A 26 10.340 11.942 -0.348 1.00 0.00 H new ATOM 0 HA GLN A 26 12.516 13.795 0.075 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.181 11.632 1.757 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.499 12.609 2.374 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.087 13.939 1.079 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.019 13.434 2.756 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.248 15.386 3.916 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.585 16.516 3.675 1.00 0.00 H new ATOM 432 N ALA A 27 13.276 10.570 0.230 1.00 0.00 N ATOM 433 CA ALA A 27 14.427 9.639 0.061 1.00 0.00 C ATOM 434 C ALA A 27 15.166 9.973 -1.236 1.00 0.00 C ATOM 435 O ALA A 27 16.372 10.118 -1.257 1.00 0.00 O ATOM 436 CB ALA A 27 13.911 8.200 0.000 1.00 0.00 C ATOM 0 H ALA A 27 12.393 10.128 0.488 1.00 0.00 H new ATOM 0 HA ALA A 27 15.109 9.745 0.904 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.751 7.517 -0.124 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.384 7.963 0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.230 8.093 -0.844 1.00 0.00 H new ATOM 442 N LEU A 28 14.450 10.098 -2.321 1.00 0.00 N ATOM 443 CA LEU A 28 15.109 10.424 -3.619 1.00 0.00 C ATOM 444 C LEU A 28 15.854 11.755 -3.492 1.00 0.00 C ATOM 445 O LEU A 28 17.068 11.799 -3.478 1.00 0.00 O ATOM 446 CB LEU A 28 14.047 10.541 -4.714 1.00 0.00 C ATOM 447 CG LEU A 28 13.999 9.243 -5.521 1.00 0.00 C ATOM 448 CD1 LEU A 28 13.394 8.130 -4.663 1.00 0.00 C ATOM 449 CD2 LEU A 28 13.134 9.451 -6.766 1.00 0.00 C ATOM 0 H LEU A 28 13.437 9.988 -2.365 1.00 0.00 H new ATOM 0 HA LEU A 28 15.814 9.634 -3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.072 10.741 -4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.277 11.381 -5.370 1.00 0.00 H new ATOM 0 HG LEU A 28 15.009 8.963 -5.820 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.360 7.205 -5.238 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.007 7.982 -3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.384 8.409 -4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.098 8.527 -7.343 1.00 0.00 H new ATOM 0 HD22 LEU A 28 12.124 9.730 -6.465 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.562 10.245 -7.378 1.00 0.00 H new ATOM 461 N LEU A 29 15.136 12.841 -3.402 1.00 0.00 N ATOM 462 CA LEU A 29 15.801 14.167 -3.278 1.00 0.00 C ATOM 463 C LEU A 29 17.058 14.030 -2.417 1.00 0.00 C ATOM 464 O LEU A 29 18.139 14.419 -2.813 1.00 0.00 O ATOM 465 CB LEU A 29 14.839 15.160 -2.621 1.00 0.00 C ATOM 466 CG LEU A 29 13.963 15.809 -3.695 1.00 0.00 C ATOM 467 CD1 LEU A 29 12.878 16.655 -3.027 1.00 0.00 C ATOM 468 CD2 LEU A 29 14.830 16.704 -4.584 1.00 0.00 C ATOM 0 H LEU A 29 14.116 12.866 -3.409 1.00 0.00 H new ATOM 0 HA LEU A 29 16.077 14.528 -4.269 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.215 14.648 -1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.400 15.924 -2.083 1.00 0.00 H new ATOM 0 HG LEU A 29 13.496 15.033 -4.301 1.00 0.00 H new ATOM 0 HD11 LEU A 29 12.254 17.117 -3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 29 12.261 16.020 -2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 29 13.344 17.432 -2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.208 17.168 -5.350 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.295 17.480 -3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.605 16.103 -5.060 1.00 0.00 H new ATOM 480 N GLU A 30 16.925 13.482 -1.242 1.00 0.00 N ATOM 481 CA GLU A 30 18.111 13.322 -0.354 1.00 0.00 C ATOM 482 C GLU A 30 19.224 12.591 -1.109 1.00 0.00 C ATOM 483 O GLU A 30 20.385 12.935 -1.007 1.00 0.00 O ATOM 484 CB GLU A 30 17.715 12.510 0.882 1.00 0.00 C ATOM 485 CG GLU A 30 17.076 13.438 1.918 1.00 0.00 C ATOM 486 CD GLU A 30 15.799 12.793 2.459 1.00 0.00 C ATOM 487 OE1 GLU A 30 15.903 11.746 3.077 1.00 0.00 O ATOM 488 OE2 GLU A 30 14.738 13.356 2.247 1.00 0.00 O ATOM 0 H GLU A 30 16.045 13.137 -0.857 1.00 0.00 H new ATOM 0 HA GLU A 30 18.468 14.305 -0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.016 11.722 0.604 1.00 0.00 H new ATOM 0 HB3 GLU A 30 18.593 12.023 1.307 1.00 0.00 H new ATOM 0 HG2 GLU A 30 17.775 13.627 2.733 1.00 0.00 H new ATOM 0 HG3 GLU A 30 16.846 14.403 1.465 1.00 0.00 H new ATOM 495 N ASP A 31 18.881 11.584 -1.865 1.00 0.00 N ATOM 496 CA ASP A 31 19.923 10.833 -2.622 1.00 0.00 C ATOM 497 C ASP A 31 20.702 11.800 -3.515 1.00 0.00 C ATOM 498 O ASP A 31 21.855 11.581 -3.826 1.00 0.00 O ATOM 499 CB ASP A 31 19.253 9.765 -3.489 1.00 0.00 C ATOM 500 CG ASP A 31 20.144 8.523 -3.547 1.00 0.00 C ATOM 501 OD1 ASP A 31 21.329 8.678 -3.787 1.00 0.00 O ATOM 502 OD2 ASP A 31 19.624 7.437 -3.350 1.00 0.00 O ATOM 0 H ASP A 31 17.926 11.249 -1.991 1.00 0.00 H new ATOM 0 HA ASP A 31 20.607 10.355 -1.921 1.00 0.00 H new ATOM 0 HB2 ASP A 31 18.277 9.507 -3.078 1.00 0.00 H new ATOM 0 HB3 ASP A 31 19.083 10.151 -4.494 1.00 0.00 H new ATOM 507 N GLY A 32 20.081 12.870 -3.930 1.00 0.00 N ATOM 508 CA GLY A 32 20.788 13.849 -4.804 1.00 0.00 C ATOM 509 C GLY A 32 20.069 13.944 -6.150 1.00 0.00 C ATOM 510 O GLY A 32 20.448 14.710 -7.014 1.00 0.00 O ATOM 0 H GLY A 32 19.116 13.109 -3.702 1.00 0.00 H new ATOM 0 HA2 GLY A 32 20.815 14.827 -4.324 1.00 0.00 H new ATOM 0 HA3 GLY A 32 21.822 13.539 -4.953 1.00 0.00 H new ATOM 514 N SER A 33 19.032 13.174 -6.334 1.00 0.00 N ATOM 515 CA SER A 33 18.289 13.222 -7.624 1.00 0.00 C ATOM 516 C SER A 33 17.480 14.518 -7.697 1.00 0.00 C ATOM 517 O SER A 33 16.560 14.731 -6.933 1.00 0.00 O ATOM 518 CB SER A 33 17.342 12.025 -7.712 1.00 0.00 C ATOM 519 OG SER A 33 16.290 12.324 -8.618 1.00 0.00 O ATOM 0 H SER A 33 18.667 12.514 -5.647 1.00 0.00 H new ATOM 0 HA SER A 33 18.996 13.187 -8.453 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.885 11.141 -8.046 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.935 11.796 -6.727 1.00 0.00 H new ATOM 0 HG SER A 33 15.699 11.547 -8.701 1.00 0.00 H new ATOM 525 N ASP A 34 17.815 15.387 -8.610 1.00 0.00 N ATOM 526 CA ASP A 34 17.065 16.670 -8.729 1.00 0.00 C ATOM 527 C ASP A 34 16.141 16.608 -9.947 1.00 0.00 C ATOM 528 O ASP A 34 16.399 15.899 -10.899 1.00 0.00 O ATOM 529 CB ASP A 34 18.053 17.826 -8.897 1.00 0.00 C ATOM 530 CG ASP A 34 19.414 17.278 -9.331 1.00 0.00 C ATOM 531 OD1 ASP A 34 20.043 16.607 -8.530 1.00 0.00 O ATOM 532 OD2 ASP A 34 19.803 17.541 -10.457 1.00 0.00 O ATOM 0 H ASP A 34 18.575 15.265 -9.279 1.00 0.00 H new ATOM 0 HA ASP A 34 16.471 16.829 -7.829 1.00 0.00 H new ATOM 0 HB2 ASP A 34 17.680 18.532 -9.639 1.00 0.00 H new ATOM 0 HB3 ASP A 34 18.152 18.373 -7.959 1.00 0.00 H new ATOM 537 N PRO A 35 15.068 17.352 -9.912 1.00 0.00 N ATOM 538 CA PRO A 35 14.078 17.396 -11.026 1.00 0.00 C ATOM 539 C PRO A 35 14.697 17.906 -12.331 1.00 0.00 C ATOM 540 O PRO A 35 14.188 17.664 -13.407 1.00 0.00 O ATOM 541 CB PRO A 35 12.994 18.364 -10.535 1.00 0.00 C ATOM 542 CG PRO A 35 13.613 19.134 -9.413 1.00 0.00 C ATOM 543 CD PRO A 35 14.687 18.237 -8.804 1.00 0.00 C ATOM 0 HA PRO A 35 13.694 16.402 -11.255 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.673 19.030 -11.336 1.00 0.00 H new ATOM 0 HB3 PRO A 35 12.110 17.823 -10.197 1.00 0.00 H new ATOM 0 HG2 PRO A 35 14.047 20.065 -9.776 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.864 19.401 -8.668 1.00 0.00 H new ATOM 0 HD2 PRO A 35 15.537 18.817 -8.444 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.303 17.673 -7.954 1.00 0.00 H new ATOM 551 N ASP A 36 15.793 18.609 -12.242 1.00 0.00 N ATOM 552 CA ASP A 36 16.443 19.131 -13.475 1.00 0.00 C ATOM 553 C ASP A 36 16.760 17.967 -14.416 1.00 0.00 C ATOM 554 O ASP A 36 17.205 18.159 -15.530 1.00 0.00 O ATOM 555 CB ASP A 36 17.738 19.855 -13.100 1.00 0.00 C ATOM 556 CG ASP A 36 17.403 21.133 -12.327 1.00 0.00 C ATOM 557 OD1 ASP A 36 16.269 21.258 -11.895 1.00 0.00 O ATOM 558 OD2 ASP A 36 18.285 21.962 -12.181 1.00 0.00 O ATOM 0 H ASP A 36 16.265 18.844 -11.369 1.00 0.00 H new ATOM 0 HA ASP A 36 15.770 19.828 -13.975 1.00 0.00 H new ATOM 0 HB2 ASP A 36 18.368 19.205 -12.493 1.00 0.00 H new ATOM 0 HB3 ASP A 36 18.304 20.099 -13.999 1.00 0.00 H new ATOM 563 N ALA A 37 16.529 16.759 -13.977 1.00 0.00 N ATOM 564 CA ALA A 37 16.814 15.584 -14.847 1.00 0.00 C ATOM 565 C ALA A 37 15.494 14.947 -15.287 1.00 0.00 C ATOM 566 O ALA A 37 15.462 13.835 -15.777 1.00 0.00 O ATOM 567 CB ALA A 37 17.639 14.559 -14.066 1.00 0.00 C ATOM 0 H ALA A 37 16.156 16.536 -13.054 1.00 0.00 H new ATOM 0 HA ALA A 37 17.374 15.907 -15.725 1.00 0.00 H new ATOM 0 HB1 ALA A 37 17.848 13.699 -14.702 1.00 0.00 H new ATOM 0 HB2 ALA A 37 18.578 15.013 -13.750 1.00 0.00 H new ATOM 0 HB3 ALA A 37 17.080 14.234 -13.189 1.00 0.00 H new ATOM 573 N LEU A 38 14.404 15.646 -15.120 1.00 0.00 N ATOM 574 CA LEU A 38 13.086 15.086 -15.529 1.00 0.00 C ATOM 575 C LEU A 38 12.857 13.744 -14.833 1.00 0.00 C ATOM 576 O LEU A 38 13.782 13.108 -14.366 1.00 0.00 O ATOM 577 CB LEU A 38 13.066 14.881 -17.046 1.00 0.00 C ATOM 578 CG LEU A 38 12.391 16.080 -17.715 1.00 0.00 C ATOM 579 CD1 LEU A 38 12.860 16.188 -19.167 1.00 0.00 C ATOM 580 CD2 LEU A 38 10.872 15.889 -17.685 1.00 0.00 C ATOM 0 H LEU A 38 14.370 16.582 -14.717 1.00 0.00 H new ATOM 0 HA LEU A 38 12.296 15.781 -15.244 1.00 0.00 H new ATOM 0 HB2 LEU A 38 14.083 14.767 -17.421 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.530 13.964 -17.293 1.00 0.00 H new ATOM 0 HG LEU A 38 12.657 16.991 -17.179 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.378 17.043 -19.642 1.00 0.00 H new ATOM 0 HD12 LEU A 38 13.942 16.321 -19.191 1.00 0.00 H new ATOM 0 HD13 LEU A 38 12.595 15.277 -19.704 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.389 16.742 -18.161 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.609 14.977 -18.221 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.535 15.812 -16.651 1.00 0.00 H new ATOM 592 N TYR A 39 11.630 13.309 -14.760 1.00 0.00 N ATOM 593 CA TYR A 39 11.331 12.008 -14.096 1.00 0.00 C ATOM 594 C TYR A 39 10.031 11.438 -14.668 1.00 0.00 C ATOM 595 O TYR A 39 9.133 12.170 -15.036 1.00 0.00 O ATOM 596 CB TYR A 39 11.175 12.228 -12.588 1.00 0.00 C ATOM 597 CG TYR A 39 12.407 11.726 -11.872 1.00 0.00 C ATOM 598 CD1 TYR A 39 12.479 10.391 -11.456 1.00 0.00 C ATOM 599 CD2 TYR A 39 13.476 12.595 -11.623 1.00 0.00 C ATOM 600 CE1 TYR A 39 13.618 9.925 -10.790 1.00 0.00 C ATOM 601 CE2 TYR A 39 14.616 12.129 -10.957 1.00 0.00 C ATOM 602 CZ TYR A 39 14.688 10.794 -10.541 1.00 0.00 C ATOM 603 OH TYR A 39 15.812 10.336 -9.886 1.00 0.00 O ATOM 0 H TYR A 39 10.818 13.800 -15.133 1.00 0.00 H new ATOM 0 HA TYR A 39 12.147 11.308 -14.276 1.00 0.00 H new ATOM 0 HB2 TYR A 39 11.027 13.287 -12.378 1.00 0.00 H new ATOM 0 HB3 TYR A 39 10.291 11.704 -12.223 1.00 0.00 H new ATOM 0 HD1 TYR A 39 11.655 9.720 -11.649 1.00 0.00 H new ATOM 0 HD2 TYR A 39 13.421 13.625 -11.945 1.00 0.00 H new ATOM 0 HE1 TYR A 39 13.672 8.896 -10.468 1.00 0.00 H new ATOM 0 HE2 TYR A 39 15.440 12.800 -10.764 1.00 0.00 H new ATOM 0 HH TYR A 39 16.490 11.044 -9.865 1.00 0.00 H new ATOM 613 N GLU A 40 9.922 10.141 -14.751 1.00 0.00 N ATOM 614 CA GLU A 40 8.677 9.534 -15.305 1.00 0.00 C ATOM 615 C GLU A 40 7.883 8.867 -14.180 1.00 0.00 C ATOM 616 O GLU A 40 8.441 8.297 -13.264 1.00 0.00 O ATOM 617 CB GLU A 40 9.046 8.487 -16.359 1.00 0.00 C ATOM 618 CG GLU A 40 9.446 7.183 -15.666 1.00 0.00 C ATOM 619 CD GLU A 40 10.332 6.359 -16.600 1.00 0.00 C ATOM 620 OE1 GLU A 40 11.537 6.549 -16.564 1.00 0.00 O ATOM 621 OE2 GLU A 40 9.792 5.551 -17.339 1.00 0.00 O ATOM 0 H GLU A 40 10.639 9.476 -14.460 1.00 0.00 H new ATOM 0 HA GLU A 40 8.068 10.314 -15.762 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.201 8.313 -17.025 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.868 8.850 -16.976 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.978 7.400 -14.740 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.556 6.614 -15.396 1.00 0.00 H new ATOM 628 N ILE A 41 6.581 8.933 -14.246 1.00 0.00 N ATOM 629 CA ILE A 41 5.744 8.305 -13.186 1.00 0.00 C ATOM 630 C ILE A 41 4.736 7.355 -13.835 1.00 0.00 C ATOM 631 O ILE A 41 4.449 7.451 -15.012 1.00 0.00 O ATOM 632 CB ILE A 41 4.996 9.394 -12.415 1.00 0.00 C ATOM 633 CG1 ILE A 41 6.005 10.303 -11.710 1.00 0.00 C ATOM 634 CG2 ILE A 41 4.081 8.745 -11.377 1.00 0.00 C ATOM 635 CD1 ILE A 41 6.285 11.528 -12.582 1.00 0.00 C ATOM 0 H ILE A 41 6.060 9.396 -14.991 1.00 0.00 H new ATOM 0 HA ILE A 41 6.381 7.748 -12.499 1.00 0.00 H new ATOM 0 HB ILE A 41 4.397 9.985 -13.108 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.615 10.615 -10.741 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.930 9.759 -11.521 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.547 9.520 -10.827 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.363 8.097 -11.879 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.679 8.154 -10.683 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.004 12.176 -12.080 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.694 11.207 -13.540 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.357 12.076 -12.748 1.00 0.00 H new ATOM 647 N GLU A 42 4.193 6.437 -13.080 1.00 0.00 N ATOM 648 CA GLU A 42 3.205 5.485 -13.666 1.00 0.00 C ATOM 649 C GLU A 42 2.100 5.196 -12.647 1.00 0.00 C ATOM 650 O GLU A 42 2.358 4.982 -11.479 1.00 0.00 O ATOM 651 CB GLU A 42 3.909 4.178 -14.033 1.00 0.00 C ATOM 652 CG GLU A 42 2.932 3.266 -14.777 1.00 0.00 C ATOM 653 CD GLU A 42 3.664 2.008 -15.250 1.00 0.00 C ATOM 654 OE1 GLU A 42 4.818 1.849 -14.889 1.00 0.00 O ATOM 655 OE2 GLU A 42 3.057 1.227 -15.964 1.00 0.00 O ATOM 0 H GLU A 42 4.390 6.306 -12.088 1.00 0.00 H new ATOM 0 HA GLU A 42 2.767 5.928 -14.560 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.779 4.383 -14.657 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.272 3.683 -13.133 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.104 2.993 -14.123 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.504 3.793 -15.630 1.00 0.00 H new ATOM 662 N HIS A 43 0.870 5.182 -13.083 1.00 0.00 N ATOM 663 CA HIS A 43 -0.254 4.900 -12.146 1.00 0.00 C ATOM 664 C HIS A 43 -0.938 3.592 -12.554 1.00 0.00 C ATOM 665 O HIS A 43 -0.956 3.228 -13.714 1.00 0.00 O ATOM 666 CB HIS A 43 -1.271 6.041 -12.205 1.00 0.00 C ATOM 667 CG HIS A 43 -0.594 7.339 -11.862 1.00 0.00 C ATOM 668 ND1 HIS A 43 -0.883 8.041 -10.700 1.00 0.00 N ATOM 669 CD2 HIS A 43 0.359 8.079 -12.519 1.00 0.00 C ATOM 670 CE1 HIS A 43 -0.119 9.149 -10.694 1.00 0.00 C ATOM 671 NE2 HIS A 43 0.653 9.218 -11.778 1.00 0.00 N ATOM 0 H HIS A 43 0.595 5.354 -14.050 1.00 0.00 H new ATOM 0 HA HIS A 43 0.134 4.812 -11.131 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.709 6.100 -13.201 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -2.088 5.850 -11.509 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.810 7.817 -13.465 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.130 9.890 -9.908 1.00 0.00 H new ATOM 0 HE2 HIS A 43 1.320 9.953 -12.015 1.00 0.00 H new ATOM 679 N HIS A 44 -1.504 2.887 -11.615 1.00 0.00 N ATOM 680 CA HIS A 44 -2.188 1.608 -11.956 1.00 0.00 C ATOM 681 C HIS A 44 -3.668 1.709 -11.579 1.00 0.00 C ATOM 682 O HIS A 44 -4.012 1.925 -10.433 1.00 0.00 O ATOM 683 CB HIS A 44 -1.540 0.460 -11.180 1.00 0.00 C ATOM 684 CG HIS A 44 -0.066 0.424 -11.476 1.00 0.00 C ATOM 685 ND1 HIS A 44 0.870 0.019 -10.533 1.00 0.00 N ATOM 686 CD2 HIS A 44 0.652 0.741 -12.604 1.00 0.00 C ATOM 687 CE1 HIS A 44 2.085 0.103 -11.106 1.00 0.00 C ATOM 688 NE2 HIS A 44 2.006 0.536 -12.365 1.00 0.00 N ATOM 0 H HIS A 44 -1.523 3.140 -10.627 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.096 1.419 -13.026 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.704 0.592 -10.110 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.001 -0.488 -11.459 1.00 0.00 H new ATOM 0 HD2 HIS A 44 0.230 1.095 -13.533 1.00 0.00 H new ATOM 0 HE1 HIS A 44 3.010 -0.149 -10.608 1.00 0.00 H new ATOM 0 HE2 HIS A 44 2.777 0.685 -13.016 1.00 0.00 H new ATOM 696 N LEU A 45 -4.547 1.560 -12.532 1.00 0.00 N ATOM 697 CA LEU A 45 -6.001 1.654 -12.221 1.00 0.00 C ATOM 698 C LEU A 45 -6.725 0.424 -12.772 1.00 0.00 C ATOM 699 O LEU A 45 -6.435 -0.047 -13.852 1.00 0.00 O ATOM 700 CB LEU A 45 -6.580 2.914 -12.865 1.00 0.00 C ATOM 701 CG LEU A 45 -5.624 4.087 -12.643 1.00 0.00 C ATOM 702 CD1 LEU A 45 -4.743 4.267 -13.879 1.00 0.00 C ATOM 703 CD2 LEU A 45 -6.434 5.363 -12.403 1.00 0.00 C ATOM 0 H LEU A 45 -4.322 1.378 -13.510 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.136 1.701 -11.140 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.732 2.752 -13.932 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.556 3.140 -12.434 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.995 3.886 -11.776 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.061 5.103 -13.721 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.168 3.357 -14.051 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.371 4.469 -14.747 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.755 6.201 -12.244 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.062 5.564 -13.271 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.063 5.234 -11.522 1.00 0.00 H new ATOM 715 N PHE A 46 -7.670 -0.097 -12.037 1.00 0.00 N ATOM 716 CA PHE A 46 -8.414 -1.293 -12.522 1.00 0.00 C ATOM 717 C PHE A 46 -9.916 -1.052 -12.379 1.00 0.00 C ATOM 718 O PHE A 46 -10.355 -0.267 -11.562 1.00 0.00 O ATOM 719 CB PHE A 46 -8.009 -2.517 -11.699 1.00 0.00 C ATOM 720 CG PHE A 46 -7.286 -2.073 -10.450 1.00 0.00 C ATOM 721 CD1 PHE A 46 -5.975 -1.590 -10.536 1.00 0.00 C ATOM 722 CD2 PHE A 46 -7.924 -2.148 -9.206 1.00 0.00 C ATOM 723 CE1 PHE A 46 -5.303 -1.180 -9.378 1.00 0.00 C ATOM 724 CE2 PHE A 46 -7.252 -1.738 -8.048 1.00 0.00 C ATOM 725 CZ PHE A 46 -5.941 -1.254 -8.134 1.00 0.00 C ATOM 0 H PHE A 46 -7.958 0.254 -11.123 1.00 0.00 H new ATOM 0 HA PHE A 46 -8.174 -1.469 -13.571 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -8.893 -3.097 -11.433 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -7.366 -3.169 -12.291 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.482 -1.534 -11.495 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -8.935 -2.522 -9.140 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.292 -0.806 -9.445 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.745 -1.795 -7.089 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.422 -0.938 -7.241 1.00 0.00 H new ATOM 735 N ALA A 47 -10.708 -1.722 -13.169 1.00 0.00 N ATOM 736 CA ALA A 47 -12.183 -1.531 -13.081 1.00 0.00 C ATOM 737 C ALA A 47 -12.877 -2.894 -13.119 1.00 0.00 C ATOM 738 O ALA A 47 -12.239 -3.923 -13.225 1.00 0.00 O ATOM 739 CB ALA A 47 -12.658 -0.684 -14.263 1.00 0.00 C ATOM 0 H ALA A 47 -10.398 -2.393 -13.872 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.429 -1.024 -12.148 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.737 -0.544 -14.200 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.164 0.287 -14.237 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.412 -1.191 -15.196 1.00 0.00 H new ATOM 745 N GLU A 48 -14.179 -2.911 -13.034 1.00 0.00 N ATOM 746 CA GLU A 48 -14.910 -4.208 -13.066 1.00 0.00 C ATOM 747 C GLU A 48 -15.891 -4.214 -14.239 1.00 0.00 C ATOM 748 O GLU A 48 -16.388 -5.247 -14.641 1.00 0.00 O ATOM 749 CB GLU A 48 -15.680 -4.395 -11.757 1.00 0.00 C ATOM 750 CG GLU A 48 -15.942 -5.885 -11.527 1.00 0.00 C ATOM 751 CD GLU A 48 -16.840 -6.065 -10.302 1.00 0.00 C ATOM 752 OE1 GLU A 48 -17.640 -5.181 -10.042 1.00 0.00 O ATOM 753 OE2 GLU A 48 -16.714 -7.086 -9.645 1.00 0.00 O ATOM 0 H GLU A 48 -14.768 -2.083 -12.944 1.00 0.00 H new ATOM 0 HA GLU A 48 -14.195 -5.022 -13.186 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -15.109 -3.983 -10.925 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -16.624 -3.851 -11.797 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -16.417 -6.321 -12.406 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.999 -6.412 -11.380 1.00 0.00 H new ATOM 760 N ASP A 49 -16.176 -3.066 -14.792 1.00 0.00 N ATOM 761 CA ASP A 49 -17.126 -3.007 -15.938 1.00 0.00 C ATOM 762 C ASP A 49 -16.378 -2.569 -17.199 1.00 0.00 C ATOM 763 O ASP A 49 -16.059 -1.410 -17.371 1.00 0.00 O ATOM 764 CB ASP A 49 -18.237 -2.001 -15.628 1.00 0.00 C ATOM 765 CG ASP A 49 -19.505 -2.387 -16.391 1.00 0.00 C ATOM 766 OD1 ASP A 49 -19.783 -3.571 -16.476 1.00 0.00 O ATOM 767 OD2 ASP A 49 -20.176 -1.491 -16.877 1.00 0.00 O ATOM 0 H ASP A 49 -15.792 -2.167 -14.499 1.00 0.00 H new ATOM 0 HA ASP A 49 -17.563 -3.993 -16.099 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -18.436 -1.983 -14.557 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -17.922 -0.997 -15.911 1.00 0.00 H new ATOM 772 N PHE A 50 -16.095 -3.487 -18.082 1.00 0.00 N ATOM 773 CA PHE A 50 -15.366 -3.125 -19.331 1.00 0.00 C ATOM 774 C PHE A 50 -15.797 -1.731 -19.793 1.00 0.00 C ATOM 775 O PHE A 50 -14.982 -0.911 -20.165 1.00 0.00 O ATOM 776 CB PHE A 50 -15.692 -4.147 -20.423 1.00 0.00 C ATOM 777 CG PHE A 50 -14.437 -4.480 -21.194 1.00 0.00 C ATOM 778 CD1 PHE A 50 -13.721 -3.465 -21.841 1.00 0.00 C ATOM 779 CD2 PHE A 50 -13.989 -5.805 -21.261 1.00 0.00 C ATOM 780 CE1 PHE A 50 -12.557 -3.776 -22.555 1.00 0.00 C ATOM 781 CE2 PHE A 50 -12.825 -6.116 -21.974 1.00 0.00 C ATOM 782 CZ PHE A 50 -12.109 -5.101 -22.621 1.00 0.00 C ATOM 0 H PHE A 50 -16.337 -4.474 -17.992 1.00 0.00 H new ATOM 0 HA PHE A 50 -14.293 -3.125 -19.137 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -16.108 -5.051 -19.977 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -16.449 -3.746 -21.097 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -14.066 -2.443 -21.789 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -14.542 -6.587 -20.762 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -12.005 -2.994 -23.055 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -12.479 -7.138 -22.025 1.00 0.00 H new ATOM 0 HZ PHE A 50 -11.211 -5.340 -23.171 1.00 0.00 H new ATOM 792 N ASP A 51 -17.074 -1.458 -19.778 1.00 0.00 N ATOM 793 CA ASP A 51 -17.555 -0.119 -20.219 1.00 0.00 C ATOM 794 C ASP A 51 -16.959 0.965 -19.319 1.00 0.00 C ATOM 795 O ASP A 51 -16.369 1.919 -19.786 1.00 0.00 O ATOM 796 CB ASP A 51 -19.082 -0.073 -20.130 1.00 0.00 C ATOM 797 CG ASP A 51 -19.641 0.709 -21.321 1.00 0.00 C ATOM 798 OD1 ASP A 51 -19.651 0.162 -22.412 1.00 0.00 O ATOM 799 OD2 ASP A 51 -20.049 1.840 -21.122 1.00 0.00 O ATOM 0 H ASP A 51 -17.804 -2.105 -19.479 1.00 0.00 H new ATOM 0 HA ASP A 51 -17.243 0.056 -21.249 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -19.487 -1.085 -20.124 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -19.388 0.398 -19.196 1.00 0.00 H new ATOM 804 N LYS A 52 -17.113 0.828 -18.030 1.00 0.00 N ATOM 805 CA LYS A 52 -16.557 1.852 -17.100 1.00 0.00 C ATOM 806 C LYS A 52 -15.030 1.863 -17.202 1.00 0.00 C ATOM 807 O LYS A 52 -14.375 2.796 -16.779 1.00 0.00 O ATOM 808 CB LYS A 52 -16.971 1.514 -15.666 1.00 0.00 C ATOM 809 CG LYS A 52 -16.765 2.739 -14.772 1.00 0.00 C ATOM 810 CD LYS A 52 -18.026 3.605 -14.789 1.00 0.00 C ATOM 811 CE LYS A 52 -19.201 2.813 -14.214 1.00 0.00 C ATOM 812 NZ LYS A 52 -19.975 3.681 -13.281 1.00 0.00 N ATOM 0 H LYS A 52 -17.599 0.052 -17.581 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.944 2.835 -17.369 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -18.016 1.204 -15.641 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.381 0.676 -15.294 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.542 2.424 -13.753 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.910 3.317 -15.122 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -17.865 4.511 -14.205 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -18.250 3.919 -15.809 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -19.845 2.461 -15.020 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -18.836 1.930 -13.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -20.238 3.135 -12.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -19.392 4.495 -13.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -20.836 4.020 -13.756 1.00 0.00 H new ATOM 826 N LEU A 53 -14.457 0.832 -17.760 1.00 0.00 N ATOM 827 CA LEU A 53 -12.974 0.780 -17.889 1.00 0.00 C ATOM 828 C LEU A 53 -12.534 1.622 -19.089 1.00 0.00 C ATOM 829 O LEU A 53 -11.784 2.569 -18.955 1.00 0.00 O ATOM 830 CB LEU A 53 -12.534 -0.670 -18.094 1.00 0.00 C ATOM 831 CG LEU A 53 -11.010 -0.760 -18.014 1.00 0.00 C ATOM 832 CD1 LEU A 53 -10.615 -1.949 -17.137 1.00 0.00 C ATOM 833 CD2 LEU A 53 -10.438 -0.951 -19.421 1.00 0.00 C ATOM 0 H LEU A 53 -14.953 0.022 -18.133 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.516 1.176 -16.983 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -12.986 -1.309 -17.335 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.879 -1.032 -19.062 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.613 0.158 -17.581 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.528 -2.014 -17.080 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.024 -1.814 -16.136 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.011 -2.868 -17.570 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.351 -1.015 -19.366 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.835 -1.870 -19.853 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.720 -0.104 -20.047 1.00 0.00 H new ATOM 845 N GLU A 54 -12.994 1.284 -20.264 1.00 0.00 N ATOM 846 CA GLU A 54 -12.601 2.063 -21.471 1.00 0.00 C ATOM 847 C GLU A 54 -13.057 3.515 -21.314 1.00 0.00 C ATOM 848 O GLU A 54 -12.569 4.405 -21.982 1.00 0.00 O ATOM 849 CB GLU A 54 -13.260 1.452 -22.709 1.00 0.00 C ATOM 850 CG GLU A 54 -12.234 0.613 -23.473 1.00 0.00 C ATOM 851 CD GLU A 54 -12.955 -0.272 -24.491 1.00 0.00 C ATOM 852 OE1 GLU A 54 -13.315 0.237 -25.540 1.00 0.00 O ATOM 853 OE2 GLU A 54 -13.133 -1.445 -24.207 1.00 0.00 O ATOM 0 H GLU A 54 -13.625 0.502 -20.439 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.517 2.034 -21.584 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -14.106 0.831 -22.414 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.652 2.240 -23.352 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.522 1.264 -23.981 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.663 -0.004 -22.779 1.00 0.00 H new ATOM 860 N LYS A 55 -13.988 3.764 -20.433 1.00 0.00 N ATOM 861 CA LYS A 55 -14.471 5.160 -20.236 1.00 0.00 C ATOM 862 C LYS A 55 -13.492 5.916 -19.336 1.00 0.00 C ATOM 863 O LYS A 55 -13.056 7.005 -19.654 1.00 0.00 O ATOM 864 CB LYS A 55 -15.854 5.135 -19.583 1.00 0.00 C ATOM 865 CG LYS A 55 -16.918 5.470 -20.632 1.00 0.00 C ATOM 866 CD LYS A 55 -18.309 5.367 -20.003 1.00 0.00 C ATOM 867 CE LYS A 55 -19.339 6.004 -20.938 1.00 0.00 C ATOM 868 NZ LYS A 55 -20.595 6.276 -20.182 1.00 0.00 N ATOM 0 H LYS A 55 -14.434 3.062 -19.842 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.537 5.662 -21.201 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -16.048 4.152 -19.154 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -15.895 5.854 -18.765 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -16.757 6.476 -21.020 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -16.838 4.786 -21.477 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -18.562 4.322 -19.823 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -18.321 5.869 -19.035 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -18.944 6.931 -21.354 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -19.544 5.340 -21.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -21.296 6.709 -20.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -20.974 5.384 -19.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -20.393 6.925 -19.395 1.00 0.00 H new ATOM 882 N ALA A 56 -13.137 5.347 -18.217 1.00 0.00 N ATOM 883 CA ALA A 56 -12.182 6.035 -17.303 1.00 0.00 C ATOM 884 C ALA A 56 -10.795 6.061 -17.949 1.00 0.00 C ATOM 885 O ALA A 56 -10.025 6.980 -17.752 1.00 0.00 O ATOM 886 CB ALA A 56 -12.116 5.284 -15.971 1.00 0.00 C ATOM 0 H ALA A 56 -13.466 4.437 -17.896 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.519 7.056 -17.123 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.417 5.788 -15.303 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.105 5.266 -15.514 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.778 4.262 -16.146 1.00 0.00 H new ATOM 892 N ALA A 57 -10.473 5.059 -18.721 1.00 0.00 N ATOM 893 CA ALA A 57 -9.138 5.028 -19.382 1.00 0.00 C ATOM 894 C ALA A 57 -9.056 6.157 -20.412 1.00 0.00 C ATOM 895 O ALA A 57 -8.196 7.012 -20.340 1.00 0.00 O ATOM 896 CB ALA A 57 -8.947 3.681 -20.084 1.00 0.00 C ATOM 0 H ALA A 57 -11.076 4.261 -18.922 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.357 5.160 -18.633 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.970 3.658 -20.568 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.008 2.877 -19.351 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.727 3.548 -20.834 1.00 0.00 H new ATOM 902 N VAL A 58 -9.945 6.168 -21.367 1.00 0.00 N ATOM 903 CA VAL A 58 -9.915 7.246 -22.395 1.00 0.00 C ATOM 904 C VAL A 58 -9.820 8.603 -21.697 1.00 0.00 C ATOM 905 O VAL A 58 -8.931 9.388 -21.961 1.00 0.00 O ATOM 906 CB VAL A 58 -11.194 7.194 -23.233 1.00 0.00 C ATOM 907 CG1 VAL A 58 -11.359 8.511 -23.993 1.00 0.00 C ATOM 908 CG2 VAL A 58 -11.101 6.039 -24.233 1.00 0.00 C ATOM 0 H VAL A 58 -10.689 5.479 -21.480 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.052 7.105 -23.046 1.00 0.00 H new ATOM 0 HB VAL A 58 -12.052 7.041 -22.578 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.270 8.475 -24.590 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.423 9.335 -23.283 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.501 8.663 -24.648 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.012 6.001 -24.831 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.243 6.193 -24.888 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.982 5.099 -23.694 1.00 0.00 H new ATOM 918 N GLU A 59 -10.731 8.884 -20.805 1.00 0.00 N ATOM 919 CA GLU A 59 -10.692 10.189 -20.088 1.00 0.00 C ATOM 920 C GLU A 59 -9.266 10.453 -19.599 1.00 0.00 C ATOM 921 O GLU A 59 -8.746 11.543 -19.733 1.00 0.00 O ATOM 922 CB GLU A 59 -11.643 10.143 -18.891 1.00 0.00 C ATOM 923 CG GLU A 59 -13.055 9.800 -19.373 1.00 0.00 C ATOM 924 CD GLU A 59 -13.831 11.088 -19.653 1.00 0.00 C ATOM 925 OE1 GLU A 59 -13.535 12.086 -19.017 1.00 0.00 O ATOM 926 OE2 GLU A 59 -14.709 11.055 -20.499 1.00 0.00 O ATOM 0 H GLU A 59 -11.499 8.267 -20.543 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.001 10.987 -20.763 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.302 9.399 -18.171 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.646 11.105 -18.378 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.004 9.191 -20.276 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.574 9.208 -18.619 1.00 0.00 H new ATOM 933 N ALA A 60 -8.630 9.463 -19.035 1.00 0.00 N ATOM 934 CA ALA A 60 -7.238 9.657 -18.542 1.00 0.00 C ATOM 935 C ALA A 60 -6.343 10.081 -19.708 1.00 0.00 C ATOM 936 O ALA A 60 -5.427 10.863 -19.549 1.00 0.00 O ATOM 937 CB ALA A 60 -6.719 8.346 -17.948 1.00 0.00 C ATOM 0 H ALA A 60 -9.014 8.529 -18.895 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.227 10.430 -17.774 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.700 8.488 -17.587 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.359 8.044 -17.119 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.728 7.571 -18.714 1.00 0.00 H new ATOM 943 N PHE A 61 -6.605 9.572 -20.882 1.00 0.00 N ATOM 944 CA PHE A 61 -5.772 9.946 -22.059 1.00 0.00 C ATOM 945 C PHE A 61 -6.048 11.405 -22.429 1.00 0.00 C ATOM 946 O PHE A 61 -5.151 12.151 -22.767 1.00 0.00 O ATOM 947 CB PHE A 61 -6.127 9.036 -23.242 1.00 0.00 C ATOM 948 CG PHE A 61 -5.925 9.779 -24.543 1.00 0.00 C ATOM 949 CD1 PHE A 61 -6.966 10.543 -25.080 1.00 0.00 C ATOM 950 CD2 PHE A 61 -4.696 9.702 -25.211 1.00 0.00 C ATOM 951 CE1 PHE A 61 -6.781 11.233 -26.284 1.00 0.00 C ATOM 952 CE2 PHE A 61 -4.510 10.391 -26.416 1.00 0.00 C ATOM 953 CZ PHE A 61 -5.554 11.157 -26.952 1.00 0.00 C ATOM 0 H PHE A 61 -7.360 8.914 -21.076 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.716 9.827 -21.817 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.504 8.142 -23.224 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.162 8.705 -23.159 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -7.914 10.601 -24.565 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.892 9.111 -24.797 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -7.585 11.824 -26.697 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.563 10.332 -26.932 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.411 11.689 -27.881 1.00 0.00 H new ATOM 963 N LYS A 62 -7.285 11.818 -22.367 1.00 0.00 N ATOM 964 CA LYS A 62 -7.617 13.228 -22.715 1.00 0.00 C ATOM 965 C LYS A 62 -6.841 14.176 -21.799 1.00 0.00 C ATOM 966 O LYS A 62 -6.413 15.237 -22.207 1.00 0.00 O ATOM 967 CB LYS A 62 -9.118 13.459 -22.531 1.00 0.00 C ATOM 968 CG LYS A 62 -9.808 13.459 -23.896 1.00 0.00 C ATOM 969 CD LYS A 62 -11.299 13.750 -23.715 1.00 0.00 C ATOM 970 CE LYS A 62 -11.738 14.813 -24.722 1.00 0.00 C ATOM 971 NZ LYS A 62 -11.444 14.341 -26.104 1.00 0.00 N ATOM 0 H LYS A 62 -8.079 11.240 -22.091 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.344 13.419 -23.753 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.541 12.679 -21.898 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.291 14.409 -22.025 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.356 14.210 -24.544 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.672 12.494 -24.384 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.878 12.838 -23.858 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.492 14.095 -22.699 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.804 15.013 -24.614 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.216 15.750 -24.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.095 14.799 -26.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.464 14.584 -26.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.568 13.310 -26.152 1.00 0.00 H new ATOM 985 N MET A 63 -6.658 13.803 -20.562 1.00 0.00 N ATOM 986 CA MET A 63 -5.912 14.685 -19.622 1.00 0.00 C ATOM 987 C MET A 63 -4.457 14.803 -20.076 1.00 0.00 C ATOM 988 O MET A 63 -3.969 15.880 -20.356 1.00 0.00 O ATOM 989 CB MET A 63 -5.963 14.086 -18.214 1.00 0.00 C ATOM 990 CG MET A 63 -7.073 14.766 -17.411 1.00 0.00 C ATOM 991 SD MET A 63 -8.666 14.460 -18.211 1.00 0.00 S ATOM 992 CE MET A 63 -9.239 13.161 -17.088 1.00 0.00 C ATOM 0 H MET A 63 -6.993 12.926 -20.162 1.00 0.00 H new ATOM 0 HA MET A 63 -6.368 15.675 -19.613 1.00 0.00 H new ATOM 0 HB2 MET A 63 -6.145 13.013 -18.270 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.003 14.221 -17.715 1.00 0.00 H new ATOM 0 HG2 MET A 63 -7.086 14.383 -16.391 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.886 15.838 -17.346 1.00 0.00 H new ATOM 0 HE1 MET A 63 -10.225 12.818 -17.401 1.00 0.00 H new ATOM 0 HE2 MET A 63 -8.540 12.325 -17.112 1.00 0.00 H new ATOM 0 HE3 MET A 63 -9.298 13.556 -16.074 1.00 0.00 H new ATOM 1002 N GLY A 64 -3.757 13.703 -20.156 1.00 0.00 N ATOM 1003 CA GLY A 64 -2.333 13.759 -20.595 1.00 0.00 C ATOM 1004 C GLY A 64 -1.602 12.497 -20.130 1.00 0.00 C ATOM 1005 O GLY A 64 -0.392 12.413 -20.190 1.00 0.00 O ATOM 0 H GLY A 64 -4.109 12.771 -19.937 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.280 13.843 -21.680 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.849 14.644 -20.182 1.00 0.00 H new ATOM 1009 N PHE A 65 -2.327 11.515 -19.668 1.00 0.00 N ATOM 1010 CA PHE A 65 -1.669 10.262 -19.202 1.00 0.00 C ATOM 1011 C PHE A 65 -1.597 9.266 -20.361 1.00 0.00 C ATOM 1012 O PHE A 65 -2.539 9.102 -21.110 1.00 0.00 O ATOM 1013 CB PHE A 65 -2.482 9.658 -18.056 1.00 0.00 C ATOM 1014 CG PHE A 65 -2.311 10.504 -16.817 1.00 0.00 C ATOM 1015 CD1 PHE A 65 -3.073 11.666 -16.653 1.00 0.00 C ATOM 1016 CD2 PHE A 65 -1.388 10.127 -15.835 1.00 0.00 C ATOM 1017 CE1 PHE A 65 -2.913 12.451 -15.506 1.00 0.00 C ATOM 1018 CE2 PHE A 65 -1.227 10.913 -14.687 1.00 0.00 C ATOM 1019 CZ PHE A 65 -1.990 12.076 -14.522 1.00 0.00 C ATOM 0 H PHE A 65 -3.344 11.526 -19.593 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.661 10.485 -18.853 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.535 9.606 -18.331 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.153 8.637 -17.861 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.785 11.957 -17.412 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.800 9.230 -15.962 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.502 13.347 -15.379 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.515 10.622 -13.929 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.867 12.683 -13.637 1.00 0.00 H new ATOM 1029 N GLU A 66 -0.486 8.598 -20.515 1.00 0.00 N ATOM 1030 CA GLU A 66 -0.358 7.615 -21.627 1.00 0.00 C ATOM 1031 C GLU A 66 -0.890 6.256 -21.166 1.00 0.00 C ATOM 1032 O GLU A 66 -0.144 5.400 -20.734 1.00 0.00 O ATOM 1033 CB GLU A 66 1.115 7.480 -22.025 1.00 0.00 C ATOM 1034 CG GLU A 66 1.279 7.824 -23.507 1.00 0.00 C ATOM 1035 CD GLU A 66 0.390 6.905 -24.347 1.00 0.00 C ATOM 1036 OE1 GLU A 66 0.828 5.810 -24.656 1.00 0.00 O ATOM 1037 OE2 GLU A 66 -0.715 7.312 -24.667 1.00 0.00 O ATOM 0 H GLU A 66 0.337 8.691 -19.920 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.934 7.960 -22.486 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.729 8.144 -21.417 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.462 6.464 -21.836 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.010 8.866 -23.681 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.321 7.710 -23.804 1.00 0.00 H new ATOM 1044 N VAL A 67 -2.176 6.055 -21.252 1.00 0.00 N ATOM 1045 CA VAL A 67 -2.759 4.754 -20.819 1.00 0.00 C ATOM 1046 C VAL A 67 -2.010 3.604 -21.496 1.00 0.00 C ATOM 1047 O VAL A 67 -1.507 3.739 -22.594 1.00 0.00 O ATOM 1048 CB VAL A 67 -4.236 4.702 -21.215 1.00 0.00 C ATOM 1049 CG1 VAL A 67 -4.409 5.281 -22.620 1.00 0.00 C ATOM 1050 CG2 VAL A 67 -4.713 3.249 -21.202 1.00 0.00 C ATOM 0 H VAL A 67 -2.849 6.736 -21.604 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.667 4.658 -19.737 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.823 5.286 -20.507 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.461 5.244 -22.902 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.067 6.316 -22.632 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.823 4.697 -23.329 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.765 3.209 -21.484 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.125 2.667 -21.911 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.589 2.834 -20.202 1.00 0.00 H new ATOM 1060 N LEU A 68 -1.937 2.473 -20.851 1.00 0.00 N ATOM 1061 CA LEU A 68 -1.227 1.311 -21.457 1.00 0.00 C ATOM 1062 C LEU A 68 -2.146 0.088 -21.427 1.00 0.00 C ATOM 1063 O LEU A 68 -2.873 -0.130 -20.479 1.00 0.00 O ATOM 1064 CB LEU A 68 0.048 1.016 -20.661 1.00 0.00 C ATOM 1065 CG LEU A 68 1.269 1.155 -21.575 1.00 0.00 C ATOM 1066 CD1 LEU A 68 2.542 1.194 -20.727 1.00 0.00 C ATOM 1067 CD2 LEU A 68 1.330 -0.041 -22.527 1.00 0.00 C ATOM 0 H LEU A 68 -2.339 2.303 -19.929 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.960 1.542 -22.488 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.131 1.704 -19.820 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.005 0.009 -20.246 1.00 0.00 H new ATOM 0 HG LEU A 68 1.188 2.077 -22.151 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.410 1.293 -21.378 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.500 2.045 -20.047 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.624 0.272 -20.151 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.199 0.056 -23.178 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.411 -0.962 -21.950 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.424 -0.071 -23.132 1.00 0.00 H new ATOM 1079 N GLU A 69 -2.123 -0.707 -22.460 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.001 -1.910 -22.494 1.00 0.00 C ATOM 1081 C GLU A 69 -3.028 -2.573 -21.115 1.00 0.00 C ATOM 1082 O GLU A 69 -2.042 -2.597 -20.405 1.00 0.00 O ATOM 1083 CB GLU A 69 -2.464 -2.904 -23.527 1.00 0.00 C ATOM 1084 CG GLU A 69 -3.593 -3.833 -23.979 1.00 0.00 C ATOM 1085 CD GLU A 69 -3.047 -5.250 -24.162 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -2.582 -5.816 -23.185 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -3.101 -5.746 -25.275 1.00 0.00 O ATOM 0 H GLU A 69 -1.534 -0.576 -23.282 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.012 -1.609 -22.767 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.055 -2.369 -24.384 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.650 -3.487 -23.097 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.395 -3.834 -23.241 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.021 -3.473 -24.915 1.00 0.00 H new ATOM 1094 N ALA A 70 -4.153 -3.114 -20.735 1.00 0.00 N ATOM 1095 CA ALA A 70 -4.252 -3.779 -19.406 1.00 0.00 C ATOM 1096 C ALA A 70 -4.000 -5.280 -19.571 1.00 0.00 C ATOM 1097 O ALA A 70 -3.766 -5.763 -20.661 1.00 0.00 O ATOM 1098 CB ALA A 70 -5.653 -3.560 -18.829 1.00 0.00 C ATOM 0 H ALA A 70 -5.009 -3.124 -21.289 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.510 -3.355 -18.730 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.726 -4.047 -17.856 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.837 -2.492 -18.715 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.395 -3.986 -19.504 1.00 0.00 H new ATOM 1104 N GLU A 71 -4.048 -6.021 -18.498 1.00 0.00 N ATOM 1105 CA GLU A 71 -3.811 -7.489 -18.598 1.00 0.00 C ATOM 1106 C GLU A 71 -4.551 -8.204 -17.466 1.00 0.00 C ATOM 1107 O GLU A 71 -4.278 -7.991 -16.301 1.00 0.00 O ATOM 1108 CB GLU A 71 -2.311 -7.773 -18.487 1.00 0.00 C ATOM 1109 CG GLU A 71 -2.045 -9.246 -18.802 1.00 0.00 C ATOM 1110 CD GLU A 71 -0.680 -9.651 -18.243 1.00 0.00 C ATOM 1111 OE1 GLU A 71 -0.545 -9.683 -17.031 1.00 0.00 O ATOM 1112 OE2 GLU A 71 0.206 -9.921 -19.036 1.00 0.00 O ATOM 0 H GLU A 71 -4.241 -5.674 -17.558 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.179 -7.851 -19.558 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.758 -7.137 -19.178 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.959 -7.536 -17.483 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.827 -9.868 -18.367 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.071 -9.409 -19.880 1.00 0.00 H new ATOM 1119 N GLU A 72 -5.488 -9.051 -17.798 1.00 0.00 N ATOM 1120 CA GLU A 72 -6.243 -9.777 -16.739 1.00 0.00 C ATOM 1121 C GLU A 72 -5.267 -10.285 -15.676 1.00 0.00 C ATOM 1122 O GLU A 72 -4.612 -11.293 -15.851 1.00 0.00 O ATOM 1123 CB GLU A 72 -6.980 -10.966 -17.362 1.00 0.00 C ATOM 1124 CG GLU A 72 -8.479 -10.664 -17.421 1.00 0.00 C ATOM 1125 CD GLU A 72 -9.216 -11.854 -18.040 1.00 0.00 C ATOM 1126 OE1 GLU A 72 -8.576 -12.625 -18.735 1.00 0.00 O ATOM 1127 OE2 GLU A 72 -10.408 -11.973 -17.806 1.00 0.00 O ATOM 0 H GLU A 72 -5.762 -9.271 -18.756 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.964 -9.102 -16.279 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.598 -11.160 -18.364 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.803 -11.866 -16.774 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.861 -10.467 -16.419 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.657 -9.765 -18.012 1.00 0.00 H new ATOM 1134 N THR A 73 -5.163 -9.593 -14.575 1.00 0.00 N ATOM 1135 CA THR A 73 -4.227 -10.036 -13.504 1.00 0.00 C ATOM 1136 C THR A 73 -5.032 -10.548 -12.307 1.00 0.00 C ATOM 1137 O THR A 73 -6.190 -10.895 -12.428 1.00 0.00 O ATOM 1138 CB THR A 73 -3.355 -8.857 -13.069 1.00 0.00 C ATOM 1139 OG1 THR A 73 -2.392 -9.305 -12.125 1.00 0.00 O ATOM 1140 CG2 THR A 73 -4.231 -7.776 -12.435 1.00 0.00 C ATOM 0 H THR A 73 -5.685 -8.741 -14.371 1.00 0.00 H new ATOM 0 HA THR A 73 -3.590 -10.836 -13.883 1.00 0.00 H new ATOM 0 HB THR A 73 -2.846 -8.442 -13.939 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.831 -8.551 -11.847 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.607 -6.937 -12.126 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.968 -7.432 -13.161 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.744 -8.187 -11.565 1.00 0.00 H new ATOM 1223 N LYS A 80 -10.186 -12.195 -11.720 1.00 0.00 N ATOM 1224 CA LYS A 80 -9.820 -11.805 -13.110 1.00 0.00 C ATOM 1225 C LYS A 80 -10.274 -10.367 -13.370 1.00 0.00 C ATOM 1226 O LYS A 80 -11.276 -10.129 -14.016 1.00 0.00 O ATOM 1227 CB LYS A 80 -10.509 -12.744 -14.101 1.00 0.00 C ATOM 1228 CG LYS A 80 -9.980 -14.168 -13.914 1.00 0.00 C ATOM 1229 CD LYS A 80 -11.127 -15.087 -13.483 1.00 0.00 C ATOM 1230 CE LYS A 80 -10.711 -16.551 -13.654 1.00 0.00 C ATOM 1231 NZ LYS A 80 -10.345 -17.121 -12.327 1.00 0.00 N ATOM 0 HA LYS A 80 -8.739 -11.874 -13.236 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.588 -12.723 -13.947 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.326 -12.409 -15.122 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.541 -14.529 -14.844 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.190 -14.178 -13.163 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.389 -14.893 -12.443 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.015 -14.880 -14.080 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.527 -17.123 -14.095 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.866 -16.623 -14.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.062 -18.115 -12.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.553 -16.581 -11.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.163 -17.066 -11.688 1.00 0.00 H new ATOM 1245 N LEU A 81 -9.548 -9.406 -12.870 1.00 0.00 N ATOM 1246 CA LEU A 81 -9.941 -7.986 -13.087 1.00 0.00 C ATOM 1247 C LEU A 81 -9.080 -7.377 -14.194 1.00 0.00 C ATOM 1248 O LEU A 81 -8.074 -7.931 -14.590 1.00 0.00 O ATOM 1249 CB LEU A 81 -9.735 -7.198 -11.793 1.00 0.00 C ATOM 1250 CG LEU A 81 -8.347 -7.500 -11.230 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -7.790 -6.253 -10.543 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -8.447 -8.639 -10.212 1.00 0.00 C ATOM 0 H LEU A 81 -8.700 -9.543 -12.321 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.990 -7.943 -13.379 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.837 -6.130 -11.985 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.501 -7.466 -11.065 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.683 -7.794 -12.043 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.800 -6.470 -10.142 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.718 -5.441 -11.266 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.454 -5.958 -9.730 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.457 -8.855 -9.810 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.112 -8.344 -9.400 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.843 -9.530 -10.700 1.00 0.00 H new ATOM 1264 N LEU A 82 -9.466 -6.236 -14.695 1.00 0.00 N ATOM 1265 CA LEU A 82 -8.672 -5.585 -15.775 1.00 0.00 C ATOM 1266 C LEU A 82 -7.900 -4.401 -15.189 1.00 0.00 C ATOM 1267 O LEU A 82 -8.463 -3.544 -14.535 1.00 0.00 O ATOM 1268 CB LEU A 82 -9.615 -5.094 -16.874 1.00 0.00 C ATOM 1269 CG LEU A 82 -10.092 -6.286 -17.705 1.00 0.00 C ATOM 1270 CD1 LEU A 82 -11.214 -7.012 -16.961 1.00 0.00 C ATOM 1271 CD2 LEU A 82 -10.616 -5.790 -19.055 1.00 0.00 C ATOM 0 H LEU A 82 -10.299 -5.725 -14.402 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.969 -6.302 -16.199 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -10.469 -4.580 -16.433 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.103 -4.373 -17.512 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.260 -6.971 -17.866 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.553 -7.861 -17.554 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.843 -7.366 -15.999 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -12.046 -6.327 -16.799 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.956 -6.639 -19.648 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -11.448 -5.104 -18.893 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.818 -5.273 -19.587 1.00 0.00 H new ATOM 1283 N CYS A 83 -6.614 -4.350 -15.411 1.00 0.00 N ATOM 1284 CA CYS A 83 -5.808 -3.226 -14.858 1.00 0.00 C ATOM 1285 C CYS A 83 -5.013 -2.551 -15.978 1.00 0.00 C ATOM 1286 O CYS A 83 -4.107 -3.129 -16.545 1.00 0.00 O ATOM 1287 CB CYS A 83 -4.839 -3.768 -13.803 1.00 0.00 C ATOM 1288 SG CYS A 83 -3.621 -2.493 -13.391 1.00 0.00 S ATOM 0 H CYS A 83 -6.088 -5.038 -15.951 1.00 0.00 H new ATOM 0 HA CYS A 83 -6.477 -2.495 -14.404 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -5.387 -4.065 -12.909 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.336 -4.659 -14.179 1.00 0.00 H new ATOM 0 HG CYS A 83 -2.799 -2.952 -12.494 1.00 0.00 H new ATOM 1294 N PHE A 84 -5.335 -1.324 -16.291 1.00 0.00 N ATOM 1295 CA PHE A 84 -4.587 -0.610 -17.362 1.00 0.00 C ATOM 1296 C PHE A 84 -3.505 0.255 -16.714 1.00 0.00 C ATOM 1297 O PHE A 84 -3.617 0.647 -15.567 1.00 0.00 O ATOM 1298 CB PHE A 84 -5.540 0.273 -18.173 1.00 0.00 C ATOM 1299 CG PHE A 84 -6.593 0.865 -17.265 1.00 0.00 C ATOM 1300 CD1 PHE A 84 -7.545 0.037 -16.659 1.00 0.00 C ATOM 1301 CD2 PHE A 84 -6.620 2.247 -17.037 1.00 0.00 C ATOM 1302 CE1 PHE A 84 -8.523 0.590 -15.823 1.00 0.00 C ATOM 1303 CE2 PHE A 84 -7.597 2.799 -16.200 1.00 0.00 C ATOM 1304 CZ PHE A 84 -8.549 1.971 -15.594 1.00 0.00 C ATOM 0 H PHE A 84 -6.083 -0.788 -15.851 1.00 0.00 H new ATOM 0 HA PHE A 84 -4.130 -1.336 -18.034 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.982 1.070 -18.664 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.014 -0.315 -18.959 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -7.525 -1.028 -16.836 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.887 2.886 -17.507 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -9.257 -0.049 -15.355 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.616 3.864 -16.022 1.00 0.00 H new ATOM 0 HZ PHE A 84 -9.304 2.397 -14.950 1.00 0.00 H new ATOM 1314 N ASP A 85 -2.452 0.546 -17.426 1.00 0.00 N ATOM 1315 CA ASP A 85 -1.365 1.373 -16.832 1.00 0.00 C ATOM 1316 C ASP A 85 -1.361 2.768 -17.460 1.00 0.00 C ATOM 1317 O ASP A 85 -1.711 2.947 -18.610 1.00 0.00 O ATOM 1318 CB ASP A 85 -0.016 0.696 -17.084 1.00 0.00 C ATOM 1319 CG ASP A 85 0.135 -0.504 -16.149 1.00 0.00 C ATOM 1320 OD1 ASP A 85 -0.633 -1.441 -16.291 1.00 0.00 O ATOM 1321 OD2 ASP A 85 1.018 -0.467 -15.307 1.00 0.00 O ATOM 0 H ASP A 85 -2.297 0.248 -18.389 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.535 1.467 -15.759 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.052 0.372 -18.123 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.795 1.405 -16.917 1.00 0.00 H new ATOM 1326 N ALA A 86 -0.958 3.757 -16.708 1.00 0.00 N ATOM 1327 CA ALA A 86 -0.918 5.144 -17.249 1.00 0.00 C ATOM 1328 C ALA A 86 0.447 5.761 -16.938 1.00 0.00 C ATOM 1329 O ALA A 86 0.908 5.731 -15.815 1.00 0.00 O ATOM 1330 CB ALA A 86 -2.019 5.980 -16.593 1.00 0.00 C ATOM 0 H ALA A 86 -0.654 3.662 -15.739 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.076 5.124 -18.327 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.990 6.995 -16.989 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.991 5.535 -16.807 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.862 6.006 -15.515 1.00 0.00 H new ATOM 1336 N THR A 87 1.103 6.312 -17.921 1.00 0.00 N ATOM 1337 CA THR A 87 2.440 6.918 -17.671 1.00 0.00 C ATOM 1338 C THR A 87 2.355 8.441 -17.793 1.00 0.00 C ATOM 1339 O THR A 87 1.490 8.974 -18.458 1.00 0.00 O ATOM 1340 CB THR A 87 3.443 6.379 -18.696 1.00 0.00 C ATOM 1341 OG1 THR A 87 2.749 5.625 -19.679 1.00 0.00 O ATOM 1342 CG2 THR A 87 4.466 5.486 -17.992 1.00 0.00 C ATOM 0 H THR A 87 0.772 6.369 -18.884 1.00 0.00 H new ATOM 0 HA THR A 87 2.768 6.658 -16.664 1.00 0.00 H new ATOM 0 HB THR A 87 3.961 7.211 -19.173 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.387 5.280 -20.338 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.179 5.103 -18.723 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.996 6.066 -17.237 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.953 4.651 -17.514 1.00 0.00 H new ATOM 1350 N MET A 88 3.253 9.141 -17.154 1.00 0.00 N ATOM 1351 CA MET A 88 3.236 10.630 -17.228 1.00 0.00 C ATOM 1352 C MET A 88 4.661 11.158 -17.048 1.00 0.00 C ATOM 1353 O MET A 88 5.297 10.919 -16.041 1.00 0.00 O ATOM 1354 CB MET A 88 2.340 11.186 -16.120 1.00 0.00 C ATOM 1355 CG MET A 88 2.234 12.706 -16.265 1.00 0.00 C ATOM 1356 SD MET A 88 1.145 13.360 -14.976 1.00 0.00 S ATOM 1357 CE MET A 88 -0.144 13.999 -16.074 1.00 0.00 C ATOM 0 H MET A 88 3.999 8.745 -16.583 1.00 0.00 H new ATOM 0 HA MET A 88 2.848 10.945 -18.197 1.00 0.00 H new ATOM 0 HB2 MET A 88 1.350 10.734 -16.177 1.00 0.00 H new ATOM 0 HB3 MET A 88 2.751 10.931 -15.143 1.00 0.00 H new ATOM 0 HG2 MET A 88 3.222 13.159 -16.186 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.844 12.962 -17.250 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.054 14.178 -15.501 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.191 14.934 -16.524 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.347 13.271 -16.859 1.00 0.00 H new ATOM 1367 N GLN A 89 5.169 11.870 -18.018 1.00 0.00 N ATOM 1368 CA GLN A 89 6.556 12.407 -17.900 1.00 0.00 C ATOM 1369 C GLN A 89 6.508 13.830 -17.341 1.00 0.00 C ATOM 1370 O GLN A 89 5.809 14.685 -17.848 1.00 0.00 O ATOM 1371 CB GLN A 89 7.214 12.423 -19.282 1.00 0.00 C ATOM 1372 CG GLN A 89 6.982 11.079 -19.978 1.00 0.00 C ATOM 1373 CD GLN A 89 8.327 10.454 -20.354 1.00 0.00 C ATOM 1374 OE1 GLN A 89 8.568 10.154 -21.507 1.00 0.00 O ATOM 1375 NE2 GLN A 89 9.218 10.242 -19.425 1.00 0.00 N ATOM 0 H GLN A 89 4.685 12.103 -18.885 1.00 0.00 H new ATOM 0 HA GLN A 89 7.135 11.774 -17.228 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.799 13.232 -19.884 1.00 0.00 H new ATOM 0 HB3 GLN A 89 8.283 12.614 -19.185 1.00 0.00 H new ATOM 0 HG2 GLN A 89 6.430 10.408 -19.320 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.374 11.221 -20.871 1.00 0.00 H new ATOM 0 HE21 GLN A 89 9.016 10.494 -18.457 1.00 0.00 H new ATOM 0 HE22 GLN A 89 10.117 9.825 -19.666 1.00 0.00 H new ATOM 1384 N SER A 90 7.250 14.091 -16.298 1.00 0.00 N ATOM 1385 CA SER A 90 7.252 15.459 -15.704 1.00 0.00 C ATOM 1386 C SER A 90 8.457 15.606 -14.774 1.00 0.00 C ATOM 1387 O SER A 90 9.213 14.677 -14.573 1.00 0.00 O ATOM 1388 CB SER A 90 5.964 15.674 -14.909 1.00 0.00 C ATOM 1389 OG SER A 90 6.198 16.633 -13.886 1.00 0.00 O ATOM 0 H SER A 90 7.855 13.415 -15.832 1.00 0.00 H new ATOM 0 HA SER A 90 7.313 16.201 -16.500 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.168 16.017 -15.570 1.00 0.00 H new ATOM 0 HB3 SER A 90 5.631 14.733 -14.472 1.00 0.00 H new ATOM 0 HG SER A 90 5.374 16.774 -13.375 1.00 0.00 H new ATOM 1395 N ALA A 91 8.644 16.766 -14.205 1.00 0.00 N ATOM 1396 CA ALA A 91 9.803 16.967 -13.290 1.00 0.00 C ATOM 1397 C ALA A 91 9.557 16.217 -11.979 1.00 0.00 C ATOM 1398 O ALA A 91 8.510 15.636 -11.772 1.00 0.00 O ATOM 1399 CB ALA A 91 9.972 18.460 -12.999 1.00 0.00 C ATOM 0 H ALA A 91 8.045 17.582 -14.334 1.00 0.00 H new ATOM 0 HA ALA A 91 10.707 16.584 -13.763 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.820 18.607 -12.330 1.00 0.00 H new ATOM 0 HB2 ALA A 91 10.150 18.995 -13.932 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.067 18.844 -12.528 1.00 0.00 H new ATOM 1405 N LEU A 92 10.514 16.225 -11.091 1.00 0.00 N ATOM 1406 CA LEU A 92 10.335 15.511 -9.794 1.00 0.00 C ATOM 1407 C LEU A 92 9.855 16.499 -8.729 1.00 0.00 C ATOM 1408 O LEU A 92 10.619 17.286 -8.208 1.00 0.00 O ATOM 1409 CB LEU A 92 11.671 14.902 -9.360 1.00 0.00 C ATOM 1410 CG LEU A 92 11.456 14.029 -8.122 1.00 0.00 C ATOM 1411 CD1 LEU A 92 11.112 12.602 -8.554 1.00 0.00 C ATOM 1412 CD2 LEU A 92 12.735 14.012 -7.283 1.00 0.00 C ATOM 0 H LEU A 92 11.412 16.695 -11.207 1.00 0.00 H new ATOM 0 HA LEU A 92 9.595 14.719 -9.914 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.091 14.306 -10.170 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.389 15.692 -9.141 1.00 0.00 H new ATOM 0 HG LEU A 92 10.636 14.436 -7.530 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.959 11.981 -7.671 1.00 0.00 H new ATOM 0 HD12 LEU A 92 10.201 12.613 -9.152 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.931 12.194 -9.147 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.583 13.390 -6.401 1.00 0.00 H new ATOM 0 HD22 LEU A 92 13.554 13.606 -7.876 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.980 15.028 -6.973 1.00 0.00 H new ATOM 1424 N ASP A 93 8.591 16.463 -8.399 1.00 0.00 N ATOM 1425 CA ASP A 93 8.063 17.401 -7.366 1.00 0.00 C ATOM 1426 C ASP A 93 6.919 16.728 -6.603 1.00 0.00 C ATOM 1427 O ASP A 93 6.084 16.057 -7.180 1.00 0.00 O ATOM 1428 CB ASP A 93 7.548 18.671 -8.045 1.00 0.00 C ATOM 1429 CG ASP A 93 7.705 19.858 -7.092 1.00 0.00 C ATOM 1430 OD1 ASP A 93 7.717 19.633 -5.893 1.00 0.00 O ATOM 1431 OD2 ASP A 93 7.810 20.973 -7.577 1.00 0.00 O ATOM 0 H ASP A 93 7.903 15.826 -8.799 1.00 0.00 H new ATOM 0 HA ASP A 93 8.860 17.661 -6.669 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.102 18.854 -8.966 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.501 18.549 -8.322 1.00 0.00 H new ATOM 1436 N ALA A 94 6.875 16.898 -5.310 1.00 0.00 N ATOM 1437 CA ALA A 94 5.789 16.264 -4.510 1.00 0.00 C ATOM 1438 C ALA A 94 4.507 17.093 -4.625 1.00 0.00 C ATOM 1439 O ALA A 94 3.434 16.564 -4.828 1.00 0.00 O ATOM 1440 CB ALA A 94 6.216 16.186 -3.043 1.00 0.00 C ATOM 0 H ALA A 94 7.545 17.449 -4.773 1.00 0.00 H new ATOM 0 HA ALA A 94 5.602 15.260 -4.890 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.422 15.722 -2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.124 15.589 -2.960 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.406 17.191 -2.665 1.00 0.00 H new ATOM 1446 N LYS A 95 4.607 18.387 -4.493 1.00 0.00 N ATOM 1447 CA LYS A 95 3.388 19.241 -4.592 1.00 0.00 C ATOM 1448 C LYS A 95 2.623 18.895 -5.870 1.00 0.00 C ATOM 1449 O LYS A 95 1.435 18.640 -5.844 1.00 0.00 O ATOM 1450 CB LYS A 95 3.797 20.715 -4.626 1.00 0.00 C ATOM 1451 CG LYS A 95 2.670 21.569 -4.046 1.00 0.00 C ATOM 1452 CD LYS A 95 3.013 23.050 -4.209 1.00 0.00 C ATOM 1453 CE LYS A 95 3.795 23.531 -2.987 1.00 0.00 C ATOM 1454 NZ LYS A 95 4.839 24.504 -3.416 1.00 0.00 N ATOM 0 H LYS A 95 5.478 18.890 -4.321 1.00 0.00 H new ATOM 0 HA LYS A 95 2.750 19.061 -3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.712 20.863 -4.053 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.010 21.021 -5.650 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.732 21.345 -4.554 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.526 21.332 -2.992 1.00 0.00 H new ATOM 0 HD2 LYS A 95 3.603 23.200 -5.113 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.100 23.635 -4.323 1.00 0.00 H new ATOM 0 HE2 LYS A 95 3.119 23.999 -2.271 1.00 0.00 H new ATOM 0 HE3 LYS A 95 4.258 22.683 -2.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 5.371 24.831 -2.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 5.489 24.043 -4.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 4.386 25.317 -3.879 1.00 0.00 H new ATOM 1468 N LEU A 96 3.292 18.885 -6.990 1.00 0.00 N ATOM 1469 CA LEU A 96 2.600 18.556 -8.267 1.00 0.00 C ATOM 1470 C LEU A 96 2.073 17.121 -8.206 1.00 0.00 C ATOM 1471 O LEU A 96 0.910 16.866 -8.451 1.00 0.00 O ATOM 1472 CB LEU A 96 3.584 18.688 -9.432 1.00 0.00 C ATOM 1473 CG LEU A 96 2.833 19.149 -10.682 1.00 0.00 C ATOM 1474 CD1 LEU A 96 2.645 20.666 -10.633 1.00 0.00 C ATOM 1475 CD2 LEU A 96 3.641 18.776 -11.927 1.00 0.00 C ATOM 0 H LEU A 96 4.287 19.090 -7.076 1.00 0.00 H new ATOM 0 HA LEU A 96 1.768 19.244 -8.416 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.368 19.403 -9.181 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.073 17.732 -9.620 1.00 0.00 H new ATOM 0 HG LEU A 96 1.858 18.663 -10.721 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.110 20.995 -11.524 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.071 20.933 -9.745 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.620 21.152 -10.595 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.107 19.104 -12.819 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.615 19.263 -11.888 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.777 17.695 -11.962 1.00 0.00 H new ATOM 1487 N ILE A 97 2.918 16.182 -7.880 1.00 0.00 N ATOM 1488 CA ILE A 97 2.463 14.766 -7.804 1.00 0.00 C ATOM 1489 C ILE A 97 1.223 14.676 -6.912 1.00 0.00 C ATOM 1490 O ILE A 97 0.378 13.821 -7.091 1.00 0.00 O ATOM 1491 CB ILE A 97 3.579 13.902 -7.215 1.00 0.00 C ATOM 1492 CG1 ILE A 97 4.649 13.656 -8.282 1.00 0.00 C ATOM 1493 CG2 ILE A 97 3.000 12.563 -6.758 1.00 0.00 C ATOM 1494 CD1 ILE A 97 5.907 13.086 -7.623 1.00 0.00 C ATOM 0 H ILE A 97 3.903 16.334 -7.663 1.00 0.00 H new ATOM 0 HA ILE A 97 2.218 14.409 -8.804 1.00 0.00 H new ATOM 0 HB ILE A 97 4.025 14.415 -6.363 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.274 12.963 -9.035 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.885 14.587 -8.796 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.795 11.947 -6.338 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.237 12.737 -6.000 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.555 12.049 -7.610 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.668 12.911 -8.383 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.285 13.795 -6.887 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.665 12.145 -7.129 1.00 0.00 H new ATOM 1506 N ASP A 98 1.106 15.551 -5.951 1.00 0.00 N ATOM 1507 CA ASP A 98 -0.080 15.514 -5.050 1.00 0.00 C ATOM 1508 C ASP A 98 -1.323 15.940 -5.831 1.00 0.00 C ATOM 1509 O ASP A 98 -2.366 15.326 -5.738 1.00 0.00 O ATOM 1510 CB ASP A 98 0.142 16.470 -3.875 1.00 0.00 C ATOM 1511 CG ASP A 98 -1.204 16.798 -3.225 1.00 0.00 C ATOM 1512 OD1 ASP A 98 -2.072 15.940 -3.240 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -1.343 17.901 -2.722 1.00 0.00 O ATOM 0 H ASP A 98 1.780 16.290 -5.751 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.219 14.502 -4.670 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.810 16.016 -3.144 1.00 0.00 H new ATOM 0 HB3 ASP A 98 0.623 17.384 -4.222 1.00 0.00 H new ATOM 1518 N GLU A 99 -1.222 16.988 -6.602 1.00 0.00 N ATOM 1519 CA GLU A 99 -2.399 17.447 -7.391 1.00 0.00 C ATOM 1520 C GLU A 99 -2.697 16.428 -8.491 1.00 0.00 C ATOM 1521 O GLU A 99 -3.837 16.117 -8.772 1.00 0.00 O ATOM 1522 CB GLU A 99 -2.095 18.807 -8.023 1.00 0.00 C ATOM 1523 CG GLU A 99 -1.580 19.766 -6.948 1.00 0.00 C ATOM 1524 CD GLU A 99 -2.712 20.095 -5.973 1.00 0.00 C ATOM 1525 OE1 GLU A 99 -3.844 19.753 -6.272 1.00 0.00 O ATOM 1526 OE2 GLU A 99 -2.427 20.685 -4.944 1.00 0.00 O ATOM 0 H GLU A 99 -0.376 17.545 -6.719 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.264 17.541 -6.734 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -1.351 18.695 -8.812 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.994 19.213 -8.487 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -0.745 19.315 -6.413 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -1.206 20.680 -7.410 1.00 0.00 H new ATOM 1533 N GLN A 100 -1.677 15.904 -9.115 1.00 0.00 N ATOM 1534 CA GLN A 100 -1.898 14.903 -10.195 1.00 0.00 C ATOM 1535 C GLN A 100 -2.608 13.679 -9.612 1.00 0.00 C ATOM 1536 O GLN A 100 -3.627 13.244 -10.111 1.00 0.00 O ATOM 1537 CB GLN A 100 -0.550 14.483 -10.782 1.00 0.00 C ATOM 1538 CG GLN A 100 0.229 15.727 -11.213 1.00 0.00 C ATOM 1539 CD GLN A 100 -0.280 16.201 -12.576 1.00 0.00 C ATOM 1540 OE1 GLN A 100 -0.654 17.346 -12.733 1.00 0.00 O ATOM 1541 NE2 GLN A 100 -0.310 15.362 -13.575 1.00 0.00 N ATOM 0 H GLN A 100 -0.700 16.127 -8.923 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.514 15.341 -10.981 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.021 13.921 -10.043 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.703 13.823 -11.636 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.110 16.518 -10.473 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.294 15.501 -11.269 1.00 0.00 H new ATOM 0 HE21 GLN A 100 0.004 14.401 -13.443 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -0.647 15.668 -14.488 1.00 0.00 H new ATOM 1550 N VAL A 101 -2.079 13.123 -8.556 1.00 0.00 N ATOM 1551 CA VAL A 101 -2.728 11.931 -7.942 1.00 0.00 C ATOM 1552 C VAL A 101 -4.151 12.296 -7.515 1.00 0.00 C ATOM 1553 O VAL A 101 -5.099 11.601 -7.822 1.00 0.00 O ATOM 1554 CB VAL A 101 -1.928 11.484 -6.717 1.00 0.00 C ATOM 1555 CG1 VAL A 101 -2.740 10.459 -5.923 1.00 0.00 C ATOM 1556 CG2 VAL A 101 -0.614 10.846 -7.175 1.00 0.00 C ATOM 0 H VAL A 101 -1.228 13.442 -8.093 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.759 11.119 -8.668 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.716 12.347 -6.086 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.170 10.140 -5.050 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.678 10.910 -5.599 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.951 9.595 -6.553 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.042 10.526 -6.304 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.829 9.983 -7.805 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.035 11.574 -7.743 1.00 0.00 H new ATOM 1566 N GLU A 102 -4.308 13.387 -6.815 1.00 0.00 N ATOM 1567 CA GLU A 102 -5.669 13.799 -6.376 1.00 0.00 C ATOM 1568 C GLU A 102 -6.566 13.951 -7.605 1.00 0.00 C ATOM 1569 O GLU A 102 -7.773 13.826 -7.528 1.00 0.00 O ATOM 1570 CB GLU A 102 -5.585 15.136 -5.635 1.00 0.00 C ATOM 1571 CG GLU A 102 -6.993 15.703 -5.444 1.00 0.00 C ATOM 1572 CD GLU A 102 -7.135 16.254 -4.023 1.00 0.00 C ATOM 1573 OE1 GLU A 102 -6.115 16.522 -3.409 1.00 0.00 O ATOM 1574 OE2 GLU A 102 -8.259 16.398 -3.575 1.00 0.00 O ATOM 0 H GLU A 102 -3.552 14.009 -6.529 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.084 13.044 -5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.103 14.998 -4.667 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -4.972 15.839 -6.199 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.180 16.493 -6.172 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.736 14.925 -5.620 1.00 0.00 H new ATOM 1581 N LYS A 103 -5.982 14.216 -8.741 1.00 0.00 N ATOM 1582 CA LYS A 103 -6.792 14.375 -9.982 1.00 0.00 C ATOM 1583 C LYS A 103 -7.319 13.007 -10.421 1.00 0.00 C ATOM 1584 O LYS A 103 -8.500 12.828 -10.645 1.00 0.00 O ATOM 1585 CB LYS A 103 -5.912 14.960 -11.090 1.00 0.00 C ATOM 1586 CG LYS A 103 -6.680 16.054 -11.832 1.00 0.00 C ATOM 1587 CD LYS A 103 -6.088 16.229 -13.233 1.00 0.00 C ATOM 1588 CE LYS A 103 -6.512 17.584 -13.805 1.00 0.00 C ATOM 1589 NZ LYS A 103 -7.208 17.378 -15.106 1.00 0.00 N ATOM 0 H LYS A 103 -4.976 14.330 -8.864 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.630 15.045 -9.789 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -4.997 15.370 -10.663 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -5.615 14.175 -11.785 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.735 15.790 -11.901 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.622 16.992 -11.281 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -5.001 16.166 -13.190 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.428 15.425 -13.886 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.172 18.096 -13.105 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.639 18.221 -13.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.884 18.152 -15.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.509 17.366 -15.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.718 16.472 -15.087 1.00 0.00 H new ATOM 1603 N LEU A 104 -6.451 12.041 -10.547 1.00 0.00 N ATOM 1604 CA LEU A 104 -6.900 10.685 -10.973 1.00 0.00 C ATOM 1605 C LEU A 104 -7.782 10.074 -9.882 1.00 0.00 C ATOM 1606 O LEU A 104 -8.667 9.286 -10.156 1.00 0.00 O ATOM 1607 CB LEU A 104 -5.678 9.792 -11.198 1.00 0.00 C ATOM 1608 CG LEU A 104 -4.711 10.482 -12.162 1.00 0.00 C ATOM 1609 CD1 LEU A 104 -3.369 9.747 -12.152 1.00 0.00 C ATOM 1610 CD2 LEU A 104 -5.295 10.458 -13.576 1.00 0.00 C ATOM 0 H LEU A 104 -5.450 12.132 -10.373 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.469 10.765 -11.899 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.181 9.592 -10.249 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.988 8.829 -11.604 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.562 11.515 -11.848 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.680 10.238 -12.839 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.952 9.765 -11.145 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.518 8.714 -12.465 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.606 10.950 -14.263 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.445 9.425 -13.890 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.251 10.982 -13.584 1.00 0.00 H new ATOM 1622 N VAL A 105 -7.549 10.427 -8.649 1.00 0.00 N ATOM 1623 CA VAL A 105 -8.374 9.864 -7.543 1.00 0.00 C ATOM 1624 C VAL A 105 -9.822 10.335 -7.694 1.00 0.00 C ATOM 1625 O VAL A 105 -10.744 9.544 -7.707 1.00 0.00 O ATOM 1626 CB VAL A 105 -7.819 10.341 -6.200 1.00 0.00 C ATOM 1627 CG1 VAL A 105 -8.806 9.992 -5.085 1.00 0.00 C ATOM 1628 CG2 VAL A 105 -6.480 9.650 -5.928 1.00 0.00 C ATOM 0 H VAL A 105 -6.823 11.081 -8.359 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.341 8.775 -7.584 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.673 11.421 -6.231 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.410 10.332 -4.128 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -9.760 10.482 -5.277 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -8.953 8.912 -5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.083 9.989 -4.971 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -6.627 8.570 -5.898 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.775 9.898 -6.721 1.00 0.00 H new ATOM 1638 N ASN A 106 -10.031 11.618 -7.809 1.00 0.00 N ATOM 1639 CA ASN A 106 -11.418 12.139 -7.957 1.00 0.00 C ATOM 1640 C ASN A 106 -12.061 11.535 -9.208 1.00 0.00 C ATOM 1641 O ASN A 106 -13.221 11.175 -9.209 1.00 0.00 O ATOM 1642 CB ASN A 106 -11.381 13.662 -8.090 1.00 0.00 C ATOM 1643 CG ASN A 106 -11.488 14.299 -6.704 1.00 0.00 C ATOM 1644 OD1 ASN A 106 -12.562 14.377 -6.140 1.00 0.00 O ATOM 1645 ND2 ASN A 106 -10.413 14.763 -6.128 1.00 0.00 N ATOM 0 H ASN A 106 -9.299 12.329 -7.807 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.002 11.865 -7.079 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -10.455 13.973 -8.574 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.201 14.002 -8.722 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -10.474 15.191 -5.204 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -9.512 14.697 -6.601 1.00 0.00 H new ATOM 1652 N LEU A 107 -11.317 11.422 -10.274 1.00 0.00 N ATOM 1653 CA LEU A 107 -11.887 10.842 -11.523 1.00 0.00 C ATOM 1654 C LEU A 107 -12.209 9.364 -11.298 1.00 0.00 C ATOM 1655 O LEU A 107 -13.215 8.862 -11.756 1.00 0.00 O ATOM 1656 CB LEU A 107 -10.870 10.977 -12.659 1.00 0.00 C ATOM 1657 CG LEU A 107 -11.282 10.072 -13.822 1.00 0.00 C ATOM 1658 CD1 LEU A 107 -11.098 10.823 -15.142 1.00 0.00 C ATOM 1659 CD2 LEU A 107 -10.407 8.816 -13.825 1.00 0.00 C ATOM 0 H LEU A 107 -10.339 11.706 -10.334 1.00 0.00 H new ATOM 0 HA LEU A 107 -12.800 11.376 -11.788 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -10.816 12.013 -12.992 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.876 10.704 -12.306 1.00 0.00 H new ATOM 0 HG LEU A 107 -12.328 9.787 -13.708 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.391 10.179 -15.971 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -11.719 11.719 -15.141 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -10.052 11.107 -15.256 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.700 8.171 -14.653 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.361 9.101 -13.939 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.536 8.280 -12.884 1.00 0.00 H new ATOM 1671 N ALA A 108 -11.360 8.662 -10.598 1.00 0.00 N ATOM 1672 CA ALA A 108 -11.619 7.217 -10.346 1.00 0.00 C ATOM 1673 C ALA A 108 -12.954 7.059 -9.615 1.00 0.00 C ATOM 1674 O ALA A 108 -13.886 6.472 -10.127 1.00 0.00 O ATOM 1675 CB ALA A 108 -10.494 6.640 -9.485 1.00 0.00 C ATOM 0 H ALA A 108 -10.499 9.027 -10.190 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.659 6.683 -11.296 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -10.683 5.583 -9.300 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -9.543 6.753 -10.005 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -10.453 7.173 -8.535 1.00 0.00 H new ATOM 1681 N GLU A 109 -13.054 7.579 -8.424 1.00 0.00 N ATOM 1682 CA GLU A 109 -14.330 7.455 -7.664 1.00 0.00 C ATOM 1683 C GLU A 109 -15.462 8.102 -8.465 1.00 0.00 C ATOM 1684 O GLU A 109 -16.604 7.691 -8.387 1.00 0.00 O ATOM 1685 CB GLU A 109 -14.190 8.163 -6.314 1.00 0.00 C ATOM 1686 CG GLU A 109 -14.836 7.309 -5.221 1.00 0.00 C ATOM 1687 CD GLU A 109 -13.956 6.089 -4.941 1.00 0.00 C ATOM 1688 OE1 GLU A 109 -12.753 6.200 -5.109 1.00 0.00 O ATOM 1689 OE2 GLU A 109 -14.501 5.064 -4.562 1.00 0.00 O ATOM 0 H GLU A 109 -12.309 8.084 -7.944 1.00 0.00 H new ATOM 0 HA GLU A 109 -14.556 6.402 -7.499 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -13.137 8.329 -6.086 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -14.666 9.143 -6.354 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -14.961 7.897 -4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -15.830 6.990 -5.534 1.00 0.00 H new ATOM 1696 N LYS A 110 -15.157 9.110 -9.235 1.00 0.00 N ATOM 1697 CA LYS A 110 -16.217 9.780 -10.040 1.00 0.00 C ATOM 1698 C LYS A 110 -16.852 8.767 -10.993 1.00 0.00 C ATOM 1699 O LYS A 110 -18.026 8.838 -11.297 1.00 0.00 O ATOM 1700 CB LYS A 110 -15.600 10.922 -10.850 1.00 0.00 C ATOM 1701 CG LYS A 110 -16.685 11.588 -11.699 1.00 0.00 C ATOM 1702 CD LYS A 110 -16.108 12.826 -12.389 1.00 0.00 C ATOM 1703 CE LYS A 110 -17.246 13.764 -12.795 1.00 0.00 C ATOM 1704 NZ LYS A 110 -17.095 14.135 -14.230 1.00 0.00 N ATOM 0 H LYS A 110 -14.220 9.499 -9.342 1.00 0.00 H new ATOM 0 HA LYS A 110 -16.980 10.179 -9.372 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -15.147 11.653 -10.181 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -14.805 10.540 -11.491 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -17.061 10.886 -12.443 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -17.530 11.870 -11.071 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -15.420 13.341 -11.718 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -15.535 12.531 -13.268 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -18.208 13.278 -12.633 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -17.233 14.659 -12.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -17.868 14.773 -14.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -16.183 14.615 -14.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -17.128 13.276 -14.816 1.00 0.00 H new ATOM 1718 N PHE A 111 -16.085 7.825 -11.471 1.00 0.00 N ATOM 1719 CA PHE A 111 -16.649 6.813 -12.406 1.00 0.00 C ATOM 1720 C PHE A 111 -17.095 5.580 -11.619 1.00 0.00 C ATOM 1721 O PHE A 111 -18.268 5.375 -11.380 1.00 0.00 O ATOM 1722 CB PHE A 111 -15.580 6.411 -13.426 1.00 0.00 C ATOM 1723 CG PHE A 111 -15.632 7.355 -14.602 1.00 0.00 C ATOM 1724 CD1 PHE A 111 -16.809 7.475 -15.351 1.00 0.00 C ATOM 1725 CD2 PHE A 111 -14.504 8.109 -14.945 1.00 0.00 C ATOM 1726 CE1 PHE A 111 -16.857 8.350 -16.443 1.00 0.00 C ATOM 1727 CE2 PHE A 111 -14.553 8.985 -16.036 1.00 0.00 C ATOM 1728 CZ PHE A 111 -15.730 9.106 -16.785 1.00 0.00 C ATOM 0 H PHE A 111 -15.095 7.713 -11.254 1.00 0.00 H new ATOM 0 HA PHE A 111 -17.507 7.238 -12.927 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -14.593 6.440 -12.965 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -15.746 5.387 -13.760 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -17.679 6.893 -15.086 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -13.596 8.015 -14.368 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -17.764 8.442 -17.022 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -13.683 9.568 -16.300 1.00 0.00 H new ATOM 0 HZ PHE A 111 -15.768 9.782 -17.626 1.00 0.00 H new ATOM 1738 N ASP A 112 -16.169 4.756 -11.213 1.00 0.00 N ATOM 1739 CA ASP A 112 -16.542 3.537 -10.441 1.00 0.00 C ATOM 1740 C ASP A 112 -15.351 2.577 -10.406 1.00 0.00 C ATOM 1741 O ASP A 112 -15.506 1.374 -10.482 1.00 0.00 O ATOM 1742 CB ASP A 112 -17.736 2.854 -11.114 1.00 0.00 C ATOM 1743 CG ASP A 112 -18.990 3.067 -10.265 1.00 0.00 C ATOM 1744 OD1 ASP A 112 -18.889 2.953 -9.054 1.00 0.00 O ATOM 1745 OD2 ASP A 112 -20.032 3.341 -10.839 1.00 0.00 O ATOM 0 H ASP A 112 -15.170 4.874 -11.382 1.00 0.00 H new ATOM 0 HA ASP A 112 -16.813 3.815 -9.423 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -17.887 3.263 -12.113 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -17.540 1.788 -11.232 1.00 0.00 H new ATOM 1750 N ILE A 113 -14.162 3.102 -10.292 1.00 0.00 N ATOM 1751 CA ILE A 113 -12.959 2.222 -10.252 1.00 0.00 C ATOM 1752 C ILE A 113 -12.168 2.496 -8.973 1.00 0.00 C ATOM 1753 O ILE A 113 -12.542 3.323 -8.164 1.00 0.00 O ATOM 1754 CB ILE A 113 -12.077 2.511 -11.467 1.00 0.00 C ATOM 1755 CG1 ILE A 113 -11.582 3.959 -11.400 1.00 0.00 C ATOM 1756 CG2 ILE A 113 -12.887 2.308 -12.749 1.00 0.00 C ATOM 1757 CD1 ILE A 113 -10.788 4.288 -12.665 1.00 0.00 C ATOM 0 H ILE A 113 -13.971 4.102 -10.225 1.00 0.00 H new ATOM 0 HA ILE A 113 -13.272 1.178 -10.269 1.00 0.00 H new ATOM 0 HB ILE A 113 -11.224 1.832 -11.468 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -12.428 4.639 -11.302 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -10.956 4.100 -10.519 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -12.257 2.514 -13.614 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -13.242 1.278 -12.796 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -13.740 2.986 -12.752 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -10.436 5.319 -12.616 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -9.933 3.616 -12.743 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -11.428 4.164 -13.539 1.00 0.00 H new ATOM 1769 N ILE A 114 -11.077 1.806 -8.782 1.00 0.00 N ATOM 1770 CA ILE A 114 -10.262 2.024 -7.554 1.00 0.00 C ATOM 1771 C ILE A 114 -8.830 2.402 -7.949 1.00 0.00 C ATOM 1772 O ILE A 114 -8.144 1.658 -8.621 1.00 0.00 O ATOM 1773 CB ILE A 114 -10.252 0.736 -6.722 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -8.939 0.623 -5.939 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -10.392 -0.471 -7.652 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -8.709 1.902 -5.133 1.00 0.00 C ATOM 0 H ILE A 114 -10.715 1.101 -9.424 1.00 0.00 H new ATOM 0 HA ILE A 114 -10.693 2.833 -6.964 1.00 0.00 H new ATOM 0 HB ILE A 114 -11.085 0.761 -6.020 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -8.975 -0.238 -5.271 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -8.108 0.459 -6.625 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -10.385 -1.388 -7.062 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -11.331 -0.400 -8.201 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -9.560 -0.486 -8.356 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -7.775 1.819 -4.577 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -8.654 2.754 -5.811 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -9.534 2.046 -4.436 1.00 0.00 H new ATOM 1788 N TYR A 115 -8.375 3.553 -7.533 1.00 0.00 N ATOM 1789 CA TYR A 115 -6.988 3.980 -7.878 1.00 0.00 C ATOM 1790 C TYR A 115 -6.071 3.744 -6.675 1.00 0.00 C ATOM 1791 O TYR A 115 -6.160 4.424 -5.672 1.00 0.00 O ATOM 1792 CB TYR A 115 -6.992 5.468 -8.239 1.00 0.00 C ATOM 1793 CG TYR A 115 -5.627 6.060 -7.973 1.00 0.00 C ATOM 1794 CD1 TYR A 115 -4.617 5.951 -8.936 1.00 0.00 C ATOM 1795 CD2 TYR A 115 -5.373 6.717 -6.764 1.00 0.00 C ATOM 1796 CE1 TYR A 115 -3.353 6.501 -8.689 1.00 0.00 C ATOM 1797 CE2 TYR A 115 -4.109 7.265 -6.516 1.00 0.00 C ATOM 1798 CZ TYR A 115 -3.099 7.157 -7.479 1.00 0.00 C ATOM 1799 OH TYR A 115 -1.853 7.698 -7.236 1.00 0.00 O ATOM 0 H TYR A 115 -8.905 4.217 -6.968 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.625 3.402 -8.728 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.257 5.597 -9.288 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.747 5.992 -7.653 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -4.812 5.443 -9.869 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -6.153 6.801 -6.022 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.574 6.419 -9.432 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.913 7.771 -5.582 1.00 0.00 H new ATOM 0 HH TYR A 115 -1.350 7.751 -8.075 1.00 0.00 H new ATOM 1809 N ASP A 116 -5.190 2.784 -6.767 1.00 0.00 N ATOM 1810 CA ASP A 116 -4.271 2.506 -5.627 1.00 0.00 C ATOM 1811 C ASP A 116 -3.062 1.713 -6.126 1.00 0.00 C ATOM 1812 O ASP A 116 -3.045 0.499 -6.086 1.00 0.00 O ATOM 1813 CB ASP A 116 -5.011 1.691 -4.564 1.00 0.00 C ATOM 1814 CG ASP A 116 -4.047 1.332 -3.431 1.00 0.00 C ATOM 1815 OD1 ASP A 116 -3.360 0.332 -3.559 1.00 0.00 O ATOM 1816 OD2 ASP A 116 -4.014 2.063 -2.455 1.00 0.00 O ATOM 0 H ASP A 116 -5.068 2.182 -7.581 1.00 0.00 H new ATOM 0 HA ASP A 116 -3.933 3.448 -5.195 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -5.852 2.263 -4.172 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.422 0.784 -5.007 1.00 0.00 H new ATOM 1821 N GLY A 117 -2.049 2.389 -6.597 1.00 0.00 N ATOM 1822 CA GLY A 117 -0.843 1.670 -7.096 1.00 0.00 C ATOM 1823 C GLY A 117 -0.036 2.597 -8.008 1.00 0.00 C ATOM 1824 O GLY A 117 -0.110 2.509 -9.218 1.00 0.00 O ATOM 0 H GLY A 117 -2.005 3.406 -6.658 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -0.229 1.343 -6.257 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -1.140 0.774 -7.642 1.00 0.00 H new ATOM 1828 N TRP A 118 0.733 3.485 -7.439 1.00 0.00 N ATOM 1829 CA TRP A 118 1.541 4.413 -8.277 1.00 0.00 C ATOM 1830 C TRP A 118 3.020 4.287 -7.902 1.00 0.00 C ATOM 1831 O TRP A 118 3.362 3.841 -6.824 1.00 0.00 O ATOM 1832 CB TRP A 118 1.066 5.853 -8.048 1.00 0.00 C ATOM 1833 CG TRP A 118 1.831 6.469 -6.920 1.00 0.00 C ATOM 1834 CD1 TRP A 118 1.418 6.517 -5.632 1.00 0.00 C ATOM 1835 CD2 TRP A 118 3.132 7.123 -6.956 1.00 0.00 C ATOM 1836 NE1 TRP A 118 2.382 7.160 -4.877 1.00 0.00 N ATOM 1837 CE2 TRP A 118 3.457 7.553 -5.648 1.00 0.00 C ATOM 1838 CE3 TRP A 118 4.050 7.384 -7.989 1.00 0.00 C ATOM 1839 CZ2 TRP A 118 4.654 8.217 -5.374 1.00 0.00 C ATOM 1840 CZ3 TRP A 118 5.256 8.051 -7.716 1.00 0.00 C ATOM 1841 CH2 TRP A 118 5.557 8.468 -6.412 1.00 0.00 C ATOM 0 H TRP A 118 0.836 3.607 -6.432 1.00 0.00 H new ATOM 0 HA TRP A 118 1.416 4.157 -9.329 1.00 0.00 H new ATOM 0 HB2 TRP A 118 1.205 6.440 -8.956 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -0.000 5.862 -7.823 1.00 0.00 H new ATOM 0 HD1 TRP A 118 0.488 6.118 -5.255 1.00 0.00 H new ATOM 0 HE1 TRP A 118 2.308 7.324 -3.873 1.00 0.00 H new ATOM 0 HE3 TRP A 118 3.827 7.070 -8.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 4.881 8.535 -4.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 5.956 8.244 -8.516 1.00 0.00 H new ATOM 0 HH2 TRP A 118 6.485 8.982 -6.209 1.00 0.00 H new ATOM 1852 N GLY A 119 3.899 4.677 -8.783 1.00 0.00 N ATOM 1853 CA GLY A 119 5.356 4.581 -8.481 1.00 0.00 C ATOM 1854 C GLY A 119 6.154 5.187 -9.636 1.00 0.00 C ATOM 1855 O GLY A 119 5.599 5.612 -10.629 1.00 0.00 O ATOM 0 H GLY A 119 3.671 5.059 -9.701 1.00 0.00 H new ATOM 0 HA2 GLY A 119 5.582 5.106 -7.553 1.00 0.00 H new ATOM 0 HA3 GLY A 119 5.641 3.539 -8.335 1.00 0.00 H new ATOM 1859 N THR A 120 7.453 5.232 -9.518 1.00 0.00 N ATOM 1860 CA THR A 120 8.278 5.814 -10.613 1.00 0.00 C ATOM 1861 C THR A 120 9.599 5.051 -10.719 1.00 0.00 C ATOM 1862 O THR A 120 10.036 4.413 -9.782 1.00 0.00 O ATOM 1863 CB THR A 120 8.562 7.287 -10.310 1.00 0.00 C ATOM 1864 OG1 THR A 120 9.706 7.706 -11.041 1.00 0.00 O ATOM 1865 CG2 THR A 120 8.816 7.463 -8.812 1.00 0.00 C ATOM 0 H THR A 120 7.977 4.891 -8.712 1.00 0.00 H new ATOM 0 HA THR A 120 7.737 5.735 -11.556 1.00 0.00 H new ATOM 0 HB THR A 120 7.703 7.891 -10.602 1.00 0.00 H new ATOM 0 HG1 THR A 120 9.423 8.238 -11.814 1.00 0.00 H new ATOM 0 HG21 THR A 120 9.018 8.513 -8.598 1.00 0.00 H new ATOM 0 HG22 THR A 120 7.937 7.142 -8.254 1.00 0.00 H new ATOM 0 HG23 THR A 120 9.674 6.860 -8.515 1.00 0.00 H new ATOM 1873 N TYR A 121 10.240 5.111 -11.855 1.00 0.00 N ATOM 1874 CA TYR A 121 11.534 4.390 -12.020 1.00 0.00 C ATOM 1875 C TYR A 121 12.691 5.332 -11.687 1.00 0.00 C ATOM 1876 O TYR A 121 12.756 6.445 -12.167 1.00 0.00 O ATOM 1877 CB TYR A 121 11.671 3.908 -13.466 1.00 0.00 C ATOM 1878 CG TYR A 121 10.785 2.706 -13.685 1.00 0.00 C ATOM 1879 CD1 TYR A 121 9.442 2.882 -14.039 1.00 0.00 C ATOM 1880 CD2 TYR A 121 11.306 1.415 -13.537 1.00 0.00 C ATOM 1881 CE1 TYR A 121 8.620 1.768 -14.244 1.00 0.00 C ATOM 1882 CE2 TYR A 121 10.485 0.300 -13.743 1.00 0.00 C ATOM 1883 CZ TYR A 121 9.142 0.476 -14.096 1.00 0.00 C ATOM 1884 OH TYR A 121 8.332 -0.623 -14.299 1.00 0.00 O ATOM 0 H TYR A 121 9.923 5.628 -12.675 1.00 0.00 H new ATOM 0 HA TYR A 121 11.558 3.533 -11.347 1.00 0.00 H new ATOM 0 HB2 TYR A 121 11.394 4.707 -14.154 1.00 0.00 H new ATOM 0 HB3 TYR A 121 12.709 3.651 -13.677 1.00 0.00 H new ATOM 0 HD1 TYR A 121 9.040 3.878 -14.154 1.00 0.00 H new ATOM 0 HD2 TYR A 121 12.342 1.279 -13.264 1.00 0.00 H new ATOM 0 HE1 TYR A 121 7.584 1.904 -14.516 1.00 0.00 H new ATOM 0 HE2 TYR A 121 10.888 -0.696 -13.630 1.00 0.00 H new ATOM 0 HH TYR A 121 8.851 -1.442 -14.157 1.00 0.00 H new