USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 803 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 33 ASN : amide:sc= 0.562 K(o=1.6,f=-4.2) USER MOD Set 1.2: A 110 CYS SG : rot -20:sc= 1.05 USER MOD Set 2.1: A 94 HIS : no HD1:sc= -0.419 K(o=-1,f=-4.6) USER MOD Set 2.2: A 98 LYS NZ :NH3+ -169:sc= -0.589 (180deg=-0.576) USER MOD Set 3.1: A 65 LYS NZ :NH3+ 177:sc= 1.85 (180deg=0) USER MOD Set 3.2: A 67 TYR OH : rot 30:sc= 0.447 USER MOD Set 3.3: A 103 CYS SG : rot -20:sc= 0.792 USER MOD Set 4.1: A 43 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -58:sc= 0.814 USER MOD Single : A 20 SER OG : rot 160:sc=-0.00508 USER MOD Single : A 22 LYS NZ :NH3+ 158:sc= -0.0452 (180deg=-0.318) USER MOD Single : A 27 GLN : amide:sc= -0.152 K(o=-0.15,f=-2!) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -74:sc= -0.0145 USER MOD Single : A 46 ASN : amide:sc= -12.9! C(o=-13!,f=-12!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -148:sc= 0.372 (180deg=-1.77!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.195 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.931 K(o=-0.93,f=0) USER MOD Single : A 66 HIS : no HE2:sc= -0.611 K(o=-0.61,f=-3.7!) USER MOD Single : A 68 LYS NZ :NH3+ 145:sc= -0.468 (180deg=-1.61!) USER MOD Single : A 71 SER OG : rot 150:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -1.41! K(o=-1.4!,f=-0.087) USER MOD Single : A 77 TYR OH : rot 155:sc= 0.00345 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.566 USER MOD Single : A 89 GLN : amide:sc= -1.77 K(o=-1.8,f=0) USER MOD Single : A 93 GLN : amide:sc= -0.268 K(o=-0.27,f=-3.1!) USER MOD Single : A 95 TYR OH : rot 180:sc= -1.57 USER MOD Single : A 96 SER OG : rot 64:sc= 0.762 USER MOD Single : A 97 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.416) USER MOD Single : A 104 GLN : amide:sc= -0.0452 K(o=-0.045,f=-0.98) USER MOD Single : A 105 LYS NZ :NH3+ 153:sc= 1.15 (180deg=-0.0451) USER MOD Single : A 107 THR OG1 : rot -150:sc= -0.241 USER MOD ----------------------------------------------------------------- ATOM 171 N LYS A 13 1.954 2.566 -15.729 1.00 0.00 N ATOM 172 CA LYS A 13 2.600 2.934 -14.487 1.00 0.00 C ATOM 173 C LYS A 13 1.661 2.832 -13.278 1.00 0.00 C ATOM 174 O LYS A 13 1.575 3.739 -12.459 1.00 0.00 O ATOM 175 CB LYS A 13 3.166 4.327 -14.569 1.00 0.00 C ATOM 176 CG LYS A 13 4.426 4.445 -15.368 1.00 0.00 C ATOM 177 CD LYS A 13 5.410 3.359 -15.110 1.00 0.00 C ATOM 178 CE LYS A 13 6.849 3.684 -15.478 1.00 0.00 C ATOM 179 NZ LYS A 13 7.097 3.542 -16.904 1.00 0.00 N ATOM 0 HA LYS A 13 3.409 2.218 -14.340 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.414 4.985 -15.004 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.358 4.686 -13.558 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.173 4.448 -16.428 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.894 5.405 -15.150 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.373 3.101 -14.052 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.102 2.473 -15.665 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.079 4.704 -15.171 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.521 3.026 -14.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.090 3.773 -17.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.903 2.562 -17.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.475 4.189 -17.431 1.00 0.00 H new ATOM 193 N TRP A 14 1.002 1.677 -13.196 1.00 0.00 N ATOM 194 CA TRP A 14 0.118 1.362 -12.088 1.00 0.00 C ATOM 195 C TRP A 14 0.376 -0.140 -11.795 1.00 0.00 C ATOM 196 O TRP A 14 0.811 -0.479 -10.706 1.00 0.00 O ATOM 197 CB TRP A 14 -1.364 1.779 -12.278 1.00 0.00 C ATOM 198 CG TRP A 14 -2.331 0.789 -12.916 1.00 0.00 C ATOM 199 CD1 TRP A 14 -2.969 0.908 -14.143 1.00 0.00 C ATOM 200 CD2 TRP A 14 -2.857 -0.417 -12.343 1.00 0.00 C ATOM 201 NE1 TRP A 14 -3.822 -0.129 -14.347 1.00 0.00 N ATOM 202 CE2 TRP A 14 -3.789 -0.986 -13.249 1.00 0.00 C ATOM 203 CE3 TRP A 14 -2.592 -1.029 -11.159 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.435 -2.156 -12.904 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -3.229 -2.209 -10.834 1.00 0.00 C ATOM 206 CH2 TRP A 14 -4.143 -2.771 -11.705 1.00 0.00 C ATOM 0 H TRP A 14 1.069 0.939 -13.897 1.00 0.00 H new ATOM 0 HA TRP A 14 0.345 1.969 -11.211 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.761 2.042 -11.297 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -1.376 2.687 -12.881 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -2.809 1.716 -14.841 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.399 -0.260 -15.178 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -1.883 -0.592 -10.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -5.166 -2.588 -13.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -3.012 -2.696 -9.895 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -4.632 -3.698 -11.445 1.00 0.00 H new ATOM 217 N PHE A 15 0.148 -1.009 -12.822 1.00 0.00 N ATOM 218 CA PHE A 15 0.387 -2.452 -12.658 1.00 0.00 C ATOM 219 C PHE A 15 1.853 -2.790 -13.001 1.00 0.00 C ATOM 220 O PHE A 15 2.176 -3.213 -14.105 1.00 0.00 O ATOM 221 CB PHE A 15 -0.584 -3.280 -13.531 1.00 0.00 C ATOM 222 CG PHE A 15 -0.496 -4.773 -13.309 1.00 0.00 C ATOM 223 CD1 PHE A 15 -0.294 -5.312 -12.038 1.00 0.00 C ATOM 224 CD2 PHE A 15 -0.631 -5.643 -14.390 1.00 0.00 C ATOM 225 CE1 PHE A 15 -0.204 -6.688 -11.859 1.00 0.00 C ATOM 226 CE2 PHE A 15 -0.556 -7.019 -14.212 1.00 0.00 C ATOM 227 CZ PHE A 15 -0.340 -7.542 -12.946 1.00 0.00 C ATOM 0 H PHE A 15 -0.192 -0.734 -13.744 1.00 0.00 H new ATOM 0 HA PHE A 15 0.202 -2.714 -11.616 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.604 -2.953 -13.330 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.382 -3.067 -14.581 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.207 -4.655 -11.186 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.796 -5.242 -15.379 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.028 -7.093 -10.873 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.666 -7.680 -15.059 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.278 -8.611 -12.805 1.00 0.00 H new ATOM 237 N PHE A 16 2.703 -2.613 -11.975 1.00 0.00 N ATOM 238 CA PHE A 16 4.138 -2.880 -12.110 1.00 0.00 C ATOM 239 C PHE A 16 4.451 -4.269 -11.520 1.00 0.00 C ATOM 240 O PHE A 16 3.656 -4.862 -10.804 1.00 0.00 O ATOM 241 CB PHE A 16 4.893 -1.742 -11.369 1.00 0.00 C ATOM 242 CG PHE A 16 5.793 -0.943 -12.279 1.00 0.00 C ATOM 243 CD1 PHE A 16 5.361 -0.516 -13.537 1.00 0.00 C ATOM 244 CD2 PHE A 16 7.092 -0.645 -11.878 1.00 0.00 C ATOM 245 CE1 PHE A 16 6.225 0.151 -14.396 1.00 0.00 C ATOM 246 CE2 PHE A 16 7.959 0.008 -12.752 1.00 0.00 C ATOM 247 CZ PHE A 16 7.529 0.409 -14.007 1.00 0.00 C ATOM 0 H PHE A 16 2.420 -2.288 -11.050 1.00 0.00 H new ATOM 0 HA PHE A 16 4.456 -2.895 -13.153 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.167 -1.073 -10.906 1.00 0.00 H new ATOM 0 HB3 PHE A 16 5.489 -2.173 -10.564 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.344 -0.707 -13.845 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.428 -0.920 -10.889 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.879 0.469 -15.369 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.977 0.204 -12.448 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.206 0.919 -14.677 1.00 0.00 H new ATOM 257 N ARG A 17 5.693 -4.719 -11.826 1.00 0.00 N ATOM 258 CA ARG A 17 6.146 -6.046 -11.348 1.00 0.00 C ATOM 259 C ARG A 17 6.646 -5.911 -9.899 1.00 0.00 C ATOM 260 O ARG A 17 6.119 -5.103 -9.161 1.00 0.00 O ATOM 261 CB ARG A 17 7.257 -6.553 -12.293 1.00 0.00 C ATOM 262 CG ARG A 17 6.658 -7.406 -13.401 1.00 0.00 C ATOM 263 CD ARG A 17 7.746 -8.081 -14.222 1.00 0.00 C ATOM 264 NE ARG A 17 7.146 -9.048 -15.137 1.00 0.00 N ATOM 265 CZ ARG A 17 7.869 -9.682 -16.082 1.00 0.00 C ATOM 266 NH1 ARG A 17 9.160 -9.422 -16.234 1.00 0.00 N ATOM 267 NH2 ARG A 17 7.289 -10.576 -16.873 1.00 0.00 N ATOM 0 H ARG A 17 6.376 -4.204 -12.381 1.00 0.00 H new ATOM 0 HA ARG A 17 5.331 -6.769 -11.356 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.791 -5.707 -12.725 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.986 -7.136 -11.729 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.003 -8.162 -12.968 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.042 -6.784 -14.050 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.307 -7.334 -14.784 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.455 -8.582 -13.562 1.00 0.00 H new ATOM 0 HE ARG A 17 6.149 -9.250 -15.059 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.616 -8.736 -15.633 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.697 -9.908 -16.952 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.296 -10.784 -16.766 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.836 -11.056 -17.588 1.00 0.00 H new ATOM 281 N THR A 18 7.593 -6.769 -9.490 1.00 0.00 N ATOM 282 CA THR A 18 8.111 -6.663 -8.143 1.00 0.00 C ATOM 283 C THR A 18 9.355 -5.798 -8.183 1.00 0.00 C ATOM 284 O THR A 18 10.486 -6.264 -8.144 1.00 0.00 O ATOM 285 CB THR A 18 8.536 -7.995 -7.471 1.00 0.00 C ATOM 286 OG1 THR A 18 9.579 -7.901 -6.437 1.00 0.00 O ATOM 287 CG2 THR A 18 8.712 -9.143 -8.502 1.00 0.00 C ATOM 0 H THR A 18 7.996 -7.514 -10.058 1.00 0.00 H new ATOM 0 HA THR A 18 7.286 -6.259 -7.556 1.00 0.00 H new ATOM 0 HB THR A 18 7.682 -8.281 -6.857 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.383 -7.491 -6.819 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.010 -10.055 -7.984 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.769 -9.313 -9.022 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.481 -8.869 -9.224 1.00 0.00 H new ATOM 295 N ILE A 19 9.057 -4.502 -8.362 1.00 0.00 N ATOM 296 CA ILE A 19 10.140 -3.540 -8.305 1.00 0.00 C ATOM 297 C ILE A 19 10.524 -3.440 -6.841 1.00 0.00 C ATOM 298 O ILE A 19 9.781 -3.851 -5.953 1.00 0.00 O ATOM 299 CB ILE A 19 9.698 -2.171 -8.823 1.00 0.00 C ATOM 300 CG1 ILE A 19 10.861 -1.367 -9.393 1.00 0.00 C ATOM 301 CG2 ILE A 19 8.880 -1.355 -7.824 1.00 0.00 C ATOM 302 CD1 ILE A 19 10.395 0.012 -9.863 1.00 0.00 C ATOM 0 H ILE A 19 8.127 -4.122 -8.537 1.00 0.00 H new ATOM 0 HA ILE A 19 10.974 -3.857 -8.931 1.00 0.00 H new ATOM 0 HB ILE A 19 9.014 -2.391 -9.643 1.00 0.00 H new ATOM 0 HG12 ILE A 19 11.636 -1.254 -8.635 1.00 0.00 H new ATOM 0 HG13 ILE A 19 11.308 -1.908 -10.227 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.608 -0.399 -8.271 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.975 -1.903 -7.561 1.00 0.00 H new ATOM 0 HG23 ILE A 19 9.472 -1.180 -6.926 1.00 0.00 H new ATOM 0 HD11 ILE A 19 11.244 0.565 -10.265 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.638 -0.105 -10.638 1.00 0.00 H new ATOM 0 HD13 ILE A 19 9.971 0.559 -9.021 1.00 0.00 H new ATOM 314 N SER A 20 11.729 -2.893 -6.636 1.00 0.00 N ATOM 315 CA SER A 20 12.163 -2.778 -5.262 1.00 0.00 C ATOM 316 C SER A 20 11.223 -1.748 -4.578 1.00 0.00 C ATOM 317 O SER A 20 10.558 -0.924 -5.193 1.00 0.00 O ATOM 318 CB SER A 20 13.679 -2.431 -5.309 1.00 0.00 C ATOM 319 OG SER A 20 14.583 -2.790 -4.182 1.00 0.00 O ATOM 0 H SER A 20 12.370 -2.550 -7.351 1.00 0.00 H new ATOM 0 HA SER A 20 12.086 -3.681 -4.657 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.086 -2.898 -6.206 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.756 -1.353 -5.449 1.00 0.00 H new ATOM 0 HG SER A 20 15.511 -2.798 -4.497 1.00 0.00 H new ATOM 325 N ARG A 21 11.284 -1.822 -3.254 1.00 0.00 N ATOM 326 CA ARG A 21 10.443 -0.980 -2.404 1.00 0.00 C ATOM 327 C ARG A 21 10.735 0.492 -2.672 1.00 0.00 C ATOM 328 O ARG A 21 9.879 1.267 -3.077 1.00 0.00 O ATOM 329 CB ARG A 21 10.685 -1.333 -0.926 1.00 0.00 C ATOM 330 CG ARG A 21 9.783 -0.542 0.032 1.00 0.00 C ATOM 331 CD ARG A 21 10.102 -0.838 1.500 1.00 0.00 C ATOM 332 NE ARG A 21 9.198 -0.107 2.379 1.00 0.00 N ATOM 333 CZ ARG A 21 9.341 1.206 2.665 1.00 0.00 C ATOM 334 NH1 ARG A 21 10.341 1.913 2.157 1.00 0.00 N ATOM 335 NH2 ARG A 21 8.457 1.800 3.455 1.00 0.00 N ATOM 0 H ARG A 21 11.903 -2.453 -2.745 1.00 0.00 H new ATOM 0 HA ARG A 21 9.394 -1.162 -2.635 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.515 -2.400 -0.780 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.729 -1.140 -0.678 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.902 0.525 -0.156 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.740 -0.786 -0.168 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.015 -1.908 1.688 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.133 -0.559 1.717 1.00 0.00 H new ATOM 0 HE ARG A 21 8.418 -0.612 2.800 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.019 1.467 1.539 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.433 2.903 2.384 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.678 1.266 3.841 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.556 2.791 3.677 1.00 0.00 H new ATOM 349 N LYS A 22 12.022 0.801 -2.411 1.00 0.00 N ATOM 350 CA LYS A 22 12.508 2.154 -2.635 1.00 0.00 C ATOM 351 C LYS A 22 12.422 2.602 -4.092 1.00 0.00 C ATOM 352 O LYS A 22 12.496 3.785 -4.386 1.00 0.00 O ATOM 353 CB LYS A 22 13.931 2.386 -2.146 1.00 0.00 C ATOM 354 CG LYS A 22 15.039 1.717 -2.967 1.00 0.00 C ATOM 355 CD LYS A 22 15.067 0.200 -2.830 1.00 0.00 C ATOM 356 CE LYS A 22 16.482 -0.374 -2.988 1.00 0.00 C ATOM 357 NZ LYS A 22 17.396 0.028 -1.925 1.00 0.00 N ATOM 0 H LYS A 22 12.717 0.144 -2.055 1.00 0.00 H new ATOM 0 HA LYS A 22 11.828 2.759 -2.036 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.117 3.460 -2.127 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.003 2.032 -1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.908 1.976 -4.018 1.00 0.00 H new ATOM 0 HG3 LYS A 22 16.003 2.120 -2.657 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.670 -0.082 -1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.412 -0.242 -3.581 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.423 -1.462 -3.013 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.890 -0.054 -3.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.181 -0.651 -1.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.772 0.976 -2.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.887 0.047 -1.018 1.00 0.00 H new ATOM 371 N ASP A 23 12.258 1.594 -4.978 1.00 0.00 N ATOM 372 CA ASP A 23 12.231 1.908 -6.400 1.00 0.00 C ATOM 373 C ASP A 23 10.905 2.522 -6.779 1.00 0.00 C ATOM 374 O ASP A 23 10.832 3.630 -7.273 1.00 0.00 O ATOM 375 CB ASP A 23 12.525 0.692 -7.302 1.00 0.00 C ATOM 376 CG ASP A 23 14.023 0.358 -7.420 1.00 0.00 C ATOM 377 OD1 ASP A 23 14.847 1.005 -6.772 1.00 0.00 O ATOM 378 OD2 ASP A 23 14.351 -0.547 -8.181 1.00 0.00 O ATOM 0 H ASP A 23 12.148 0.608 -4.739 1.00 0.00 H new ATOM 0 HA ASP A 23 13.034 2.625 -6.569 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.998 -0.177 -6.909 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.125 0.884 -8.298 1.00 0.00 H new ATOM 383 N ALA A 24 9.864 1.745 -6.508 1.00 0.00 N ATOM 384 CA ALA A 24 8.495 2.184 -6.764 1.00 0.00 C ATOM 385 C ALA A 24 8.252 3.570 -6.132 1.00 0.00 C ATOM 386 O ALA A 24 7.592 4.433 -6.697 1.00 0.00 O ATOM 387 CB ALA A 24 7.562 1.108 -6.209 1.00 0.00 C ATOM 0 H ALA A 24 9.940 0.808 -6.111 1.00 0.00 H new ATOM 0 HA ALA A 24 8.304 2.303 -7.831 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.526 1.400 -6.382 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.760 0.161 -6.711 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.733 0.995 -5.139 1.00 0.00 H new ATOM 393 N GLU A 25 8.848 3.695 -4.928 1.00 0.00 N ATOM 394 CA GLU A 25 8.808 4.920 -4.158 1.00 0.00 C ATOM 395 C GLU A 25 9.586 6.044 -4.884 1.00 0.00 C ATOM 396 O GLU A 25 9.137 7.174 -4.912 1.00 0.00 O ATOM 397 CB GLU A 25 9.378 4.701 -2.749 1.00 0.00 C ATOM 398 CG GLU A 25 8.453 3.927 -1.783 1.00 0.00 C ATOM 399 CD GLU A 25 8.799 4.234 -0.306 1.00 0.00 C ATOM 400 OE1 GLU A 25 9.957 4.520 -0.003 1.00 0.00 O ATOM 401 OE2 GLU A 25 7.903 4.193 0.534 1.00 0.00 O ATOM 0 H GLU A 25 9.366 2.941 -4.477 1.00 0.00 H new ATOM 0 HA GLU A 25 7.766 5.224 -4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.321 4.162 -2.835 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.605 5.673 -2.310 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.414 4.194 -1.978 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.547 2.857 -1.966 1.00 0.00 H new ATOM 408 N ARG A 26 10.748 5.699 -5.489 1.00 0.00 N ATOM 409 CA ARG A 26 11.589 6.698 -6.167 1.00 0.00 C ATOM 410 C ARG A 26 10.858 7.334 -7.358 1.00 0.00 C ATOM 411 O ARG A 26 11.035 8.501 -7.687 1.00 0.00 O ATOM 412 CB ARG A 26 12.927 6.062 -6.631 1.00 0.00 C ATOM 413 CG ARG A 26 12.984 5.447 -8.053 1.00 0.00 C ATOM 414 CD ARG A 26 13.935 4.247 -8.194 1.00 0.00 C ATOM 415 NE ARG A 26 15.027 4.609 -9.095 1.00 0.00 N ATOM 416 CZ ARG A 26 15.971 3.738 -9.495 1.00 0.00 C ATOM 417 NH1 ARG A 26 15.947 2.482 -9.079 1.00 0.00 N ATOM 418 NH2 ARG A 26 16.943 4.138 -10.309 1.00 0.00 N ATOM 0 H ARG A 26 11.115 4.748 -5.518 1.00 0.00 H new ATOM 0 HA ARG A 26 11.807 7.488 -5.448 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.701 6.827 -6.566 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.191 5.281 -5.918 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.980 5.134 -8.340 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.290 6.221 -8.757 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.330 3.963 -7.219 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.396 3.383 -8.583 1.00 0.00 H new ATOM 0 HE ARG A 26 15.076 5.569 -9.437 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.208 2.167 -8.450 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.667 1.829 -9.388 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.973 5.106 -10.630 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.659 3.477 -10.612 1.00 0.00 H new ATOM 432 N GLN A 27 10.009 6.467 -7.945 1.00 0.00 N ATOM 433 CA GLN A 27 9.228 6.855 -9.112 1.00 0.00 C ATOM 434 C GLN A 27 8.057 7.762 -8.722 1.00 0.00 C ATOM 435 O GLN A 27 7.850 8.810 -9.322 1.00 0.00 O ATOM 436 CB GLN A 27 8.674 5.624 -9.850 1.00 0.00 C ATOM 437 CG GLN A 27 9.746 4.598 -10.236 1.00 0.00 C ATOM 438 CD GLN A 27 9.135 3.365 -10.917 1.00 0.00 C ATOM 439 OE1 GLN A 27 7.955 3.060 -10.803 1.00 0.00 O ATOM 440 NE2 GLN A 27 10.034 2.681 -11.637 1.00 0.00 N ATOM 0 H GLN A 27 9.855 5.510 -7.628 1.00 0.00 H new ATOM 0 HA GLN A 27 9.903 7.399 -9.773 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.930 5.138 -9.219 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.159 5.954 -10.752 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.469 5.062 -10.906 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.291 4.288 -9.344 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.001 3.001 -11.682 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.751 1.840 -12.140 1.00 0.00 H new ATOM 449 N LEU A 28 7.273 7.294 -7.718 1.00 0.00 N ATOM 450 CA LEU A 28 6.138 8.091 -7.283 1.00 0.00 C ATOM 451 C LEU A 28 6.587 9.447 -6.733 1.00 0.00 C ATOM 452 O LEU A 28 5.999 10.471 -7.050 1.00 0.00 O ATOM 453 CB LEU A 28 5.298 7.289 -6.291 1.00 0.00 C ATOM 454 CG LEU A 28 4.865 5.963 -6.926 1.00 0.00 C ATOM 455 CD1 LEU A 28 4.521 4.926 -5.863 1.00 0.00 C ATOM 456 CD2 LEU A 28 3.711 6.212 -7.901 1.00 0.00 C ATOM 0 H LEU A 28 7.409 6.411 -7.226 1.00 0.00 H new ATOM 0 HA LEU A 28 5.504 8.318 -8.141 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.873 7.098 -5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.421 7.864 -5.996 1.00 0.00 H new ATOM 0 HG LEU A 28 5.698 5.548 -7.494 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.218 3.997 -6.346 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.395 4.742 -5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.704 5.297 -5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.405 5.268 -8.351 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.869 6.648 -7.364 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.037 6.898 -8.683 1.00 0.00 H new ATOM 468 N LEU A 29 7.672 9.392 -5.919 1.00 0.00 N ATOM 469 CA LEU A 29 8.246 10.572 -5.276 1.00 0.00 C ATOM 470 C LEU A 29 8.878 11.542 -6.292 1.00 0.00 C ATOM 471 O LEU A 29 9.368 12.598 -5.911 1.00 0.00 O ATOM 472 CB LEU A 29 9.329 10.152 -4.282 1.00 0.00 C ATOM 473 CG LEU A 29 8.805 9.346 -3.089 1.00 0.00 C ATOM 474 CD1 LEU A 29 9.949 8.541 -2.463 1.00 0.00 C ATOM 475 CD2 LEU A 29 8.131 10.250 -2.043 1.00 0.00 C ATOM 0 H LEU A 29 8.162 8.525 -5.699 1.00 0.00 H new ATOM 0 HA LEU A 29 7.427 11.082 -4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.078 9.559 -4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.832 11.045 -3.911 1.00 0.00 H new ATOM 0 HG LEU A 29 8.043 8.656 -3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.571 7.970 -1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.362 7.858 -3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.729 9.222 -2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.773 9.641 -1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.852 10.979 -1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.290 10.771 -2.500 1.00 0.00 H new ATOM 487 N ALA A 30 8.844 11.144 -7.586 1.00 0.00 N ATOM 488 CA ALA A 30 9.358 12.005 -8.645 1.00 0.00 C ATOM 489 C ALA A 30 8.486 13.270 -8.697 1.00 0.00 C ATOM 490 O ALA A 30 7.275 13.193 -8.510 1.00 0.00 O ATOM 491 CB ALA A 30 9.306 11.348 -10.029 1.00 0.00 C ATOM 0 H ALA A 30 8.472 10.249 -7.904 1.00 0.00 H new ATOM 0 HA ALA A 30 10.402 12.220 -8.415 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.702 12.038 -10.774 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.906 10.438 -10.022 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.274 11.101 -10.276 1.00 0.00 H new ATOM 497 N PRO A 31 9.135 14.433 -8.949 1.00 0.00 N ATOM 498 CA PRO A 31 8.416 15.700 -9.004 1.00 0.00 C ATOM 499 C PRO A 31 7.442 15.857 -10.173 1.00 0.00 C ATOM 500 O PRO A 31 6.705 16.829 -10.255 1.00 0.00 O ATOM 501 CB PRO A 31 9.519 16.758 -9.164 1.00 0.00 C ATOM 502 CG PRO A 31 10.843 16.024 -9.364 1.00 0.00 C ATOM 503 CD PRO A 31 10.583 14.566 -9.066 1.00 0.00 C ATOM 0 HA PRO A 31 7.798 15.784 -8.110 1.00 0.00 H new ATOM 0 HB2 PRO A 31 9.308 17.404 -10.016 1.00 0.00 H new ATOM 0 HB3 PRO A 31 9.566 17.398 -8.283 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.205 16.151 -10.384 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.610 16.423 -8.701 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.970 13.930 -9.862 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.079 14.261 -8.144 1.00 0.00 H new ATOM 511 N MET A 32 7.476 14.847 -11.058 1.00 0.00 N ATOM 512 CA MET A 32 6.567 14.845 -12.180 1.00 0.00 C ATOM 513 C MET A 32 5.150 14.409 -11.695 1.00 0.00 C ATOM 514 O MET A 32 4.139 14.947 -12.121 1.00 0.00 O ATOM 515 CB MET A 32 7.198 13.885 -13.193 1.00 0.00 C ATOM 516 CG MET A 32 8.118 14.628 -14.180 1.00 0.00 C ATOM 517 SD MET A 32 8.454 13.668 -15.668 1.00 0.00 S ATOM 518 CE MET A 32 9.803 12.645 -15.061 1.00 0.00 C ATOM 0 H MET A 32 8.110 14.049 -11.009 1.00 0.00 H new ATOM 0 HA MET A 32 6.423 15.822 -12.641 1.00 0.00 H new ATOM 0 HB2 MET A 32 7.770 13.122 -12.665 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.412 13.369 -13.745 1.00 0.00 H new ATOM 0 HG2 MET A 32 7.656 15.575 -14.459 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.059 14.866 -13.685 1.00 0.00 H new ATOM 0 HE1 MET A 32 10.142 11.981 -15.856 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.629 13.282 -14.744 1.00 0.00 H new ATOM 0 HE3 MET A 32 9.457 12.051 -14.215 1.00 0.00 H new ATOM 528 N ASN A 33 5.193 13.389 -10.812 1.00 0.00 N ATOM 529 CA ASN A 33 4.004 12.786 -10.205 1.00 0.00 C ATOM 530 C ASN A 33 3.690 13.287 -8.783 1.00 0.00 C ATOM 531 O ASN A 33 4.514 13.896 -8.110 1.00 0.00 O ATOM 532 CB ASN A 33 4.092 11.264 -10.275 1.00 0.00 C ATOM 533 CG ASN A 33 4.192 10.798 -11.710 1.00 0.00 C ATOM 534 OD1 ASN A 33 5.187 10.240 -12.133 1.00 0.00 O ATOM 535 ND2 ASN A 33 3.067 11.018 -12.405 1.00 0.00 N ATOM 0 H ASN A 33 6.066 12.962 -10.502 1.00 0.00 H new ATOM 0 HA ASN A 33 3.152 13.119 -10.798 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.961 10.919 -9.714 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.213 10.822 -9.805 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.997 10.707 -13.374 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.281 11.496 -11.965 1.00 0.00 H new ATOM 542 N LYS A 34 2.441 12.967 -8.379 1.00 0.00 N ATOM 543 CA LYS A 34 1.958 13.326 -7.049 1.00 0.00 C ATOM 544 C LYS A 34 0.907 12.304 -6.566 1.00 0.00 C ATOM 545 O LYS A 34 0.669 11.304 -7.216 1.00 0.00 O ATOM 546 CB LYS A 34 1.427 14.757 -7.056 1.00 0.00 C ATOM 547 CG LYS A 34 0.550 15.088 -8.265 1.00 0.00 C ATOM 548 CD LYS A 34 -0.584 14.097 -8.544 1.00 0.00 C ATOM 549 CE LYS A 34 -1.560 14.727 -9.533 1.00 0.00 C ATOM 550 NZ LYS A 34 -2.638 15.457 -8.889 1.00 0.00 N ATOM 0 H LYS A 34 1.764 12.467 -8.955 1.00 0.00 H new ATOM 0 HA LYS A 34 2.783 13.291 -6.337 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.852 14.925 -6.146 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.270 15.447 -7.032 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.117 16.078 -8.119 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.185 15.145 -9.149 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.182 13.169 -8.951 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.098 13.842 -7.617 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.014 15.404 -10.191 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.985 13.945 -10.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.266 15.860 -9.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.181 14.810 -8.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.240 16.224 -8.310 1.00 0.00 H new ATOM 564 N ALA A 35 0.180 12.679 -5.481 1.00 0.00 N ATOM 565 CA ALA A 35 -0.830 11.814 -4.884 1.00 0.00 C ATOM 566 C ALA A 35 -1.806 11.253 -5.921 1.00 0.00 C ATOM 567 O ALA A 35 -2.655 11.970 -6.433 1.00 0.00 O ATOM 568 CB ALA A 35 -1.599 12.587 -3.783 1.00 0.00 C ATOM 0 H ALA A 35 0.287 13.579 -5.013 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.313 10.962 -4.442 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.353 11.936 -3.340 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.901 12.911 -3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.085 13.458 -4.222 1.00 0.00 H new ATOM 574 N GLY A 36 -1.666 9.928 -6.182 1.00 0.00 N ATOM 575 CA GLY A 36 -2.556 9.330 -7.176 1.00 0.00 C ATOM 576 C GLY A 36 -1.854 8.358 -8.126 1.00 0.00 C ATOM 577 O GLY A 36 -2.393 7.347 -8.540 1.00 0.00 O ATOM 0 H GLY A 36 -0.991 9.300 -5.746 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.360 8.804 -6.661 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.019 10.125 -7.761 1.00 0.00 H new ATOM 581 N SER A 37 -0.630 8.754 -8.476 1.00 0.00 N ATOM 582 CA SER A 37 0.249 7.854 -9.233 1.00 0.00 C ATOM 583 C SER A 37 0.556 6.733 -8.233 1.00 0.00 C ATOM 584 O SER A 37 0.882 7.013 -7.077 1.00 0.00 O ATOM 585 CB SER A 37 1.563 8.629 -9.517 1.00 0.00 C ATOM 586 OG SER A 37 2.020 9.538 -8.438 1.00 0.00 O ATOM 0 H SER A 37 -0.230 9.666 -8.256 1.00 0.00 H new ATOM 0 HA SER A 37 -0.177 7.492 -10.169 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.354 7.906 -9.717 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.429 9.214 -10.427 1.00 0.00 H new ATOM 0 HG SER A 37 1.451 10.336 -8.420 1.00 0.00 H new ATOM 592 N PHE A 38 0.443 5.476 -8.731 1.00 0.00 N ATOM 593 CA PHE A 38 0.665 4.304 -7.866 1.00 0.00 C ATOM 594 C PHE A 38 1.625 3.303 -8.576 1.00 0.00 C ATOM 595 O PHE A 38 2.009 3.449 -9.730 1.00 0.00 O ATOM 596 CB PHE A 38 -0.659 3.510 -7.614 1.00 0.00 C ATOM 597 CG PHE A 38 -1.694 4.004 -6.620 1.00 0.00 C ATOM 598 CD1 PHE A 38 -1.922 5.340 -6.339 1.00 0.00 C ATOM 599 CD2 PHE A 38 -2.547 3.089 -6.010 1.00 0.00 C ATOM 600 CE1 PHE A 38 -3.020 5.764 -5.600 1.00 0.00 C ATOM 601 CE2 PHE A 38 -3.624 3.492 -5.225 1.00 0.00 C ATOM 602 CZ PHE A 38 -3.881 4.844 -5.042 1.00 0.00 C ATOM 0 H PHE A 38 0.206 5.257 -9.699 1.00 0.00 H new ATOM 0 HA PHE A 38 1.071 4.682 -6.927 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.162 3.415 -8.577 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.373 2.505 -7.303 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.224 6.077 -6.706 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.368 2.033 -6.150 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.199 6.820 -5.462 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.259 2.753 -4.759 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.740 5.169 -4.473 1.00 0.00 H new ATOM 612 N LEU A 39 1.924 2.267 -7.765 1.00 0.00 N ATOM 613 CA LEU A 39 2.776 1.132 -8.072 1.00 0.00 C ATOM 614 C LEU A 39 2.243 -0.033 -7.305 1.00 0.00 C ATOM 615 O LEU A 39 2.310 -0.019 -6.089 1.00 0.00 O ATOM 616 CB LEU A 39 4.228 1.356 -7.568 1.00 0.00 C ATOM 617 CG LEU A 39 5.167 2.005 -8.575 1.00 0.00 C ATOM 618 CD1 LEU A 39 5.202 0.976 -9.669 1.00 0.00 C ATOM 619 CD2 LEU A 39 4.843 3.400 -9.202 1.00 0.00 C ATOM 0 H LEU A 39 1.545 2.211 -6.820 1.00 0.00 H new ATOM 0 HA LEU A 39 2.785 0.982 -9.152 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.194 1.977 -6.673 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.646 0.394 -7.272 1.00 0.00 H new ATOM 0 HG LEU A 39 6.083 2.256 -8.040 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.853 1.321 -10.472 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.583 0.035 -9.272 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.195 0.824 -10.058 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.637 3.682 -9.893 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.896 3.346 -9.740 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.769 4.146 -8.411 1.00 0.00 H new ATOM 631 N ILE A 40 1.757 -1.070 -8.067 1.00 0.00 N ATOM 632 CA ILE A 40 1.207 -2.176 -7.294 1.00 0.00 C ATOM 633 C ILE A 40 2.340 -3.189 -7.616 1.00 0.00 C ATOM 634 O ILE A 40 2.362 -3.810 -8.669 1.00 0.00 O ATOM 635 CB ILE A 40 -0.249 -2.493 -7.809 1.00 0.00 C ATOM 636 CG1 ILE A 40 -1.187 -3.077 -6.745 1.00 0.00 C ATOM 637 CG2 ILE A 40 -0.335 -3.698 -8.772 1.00 0.00 C ATOM 638 CD1 ILE A 40 -2.625 -2.570 -7.032 1.00 0.00 C ATOM 0 H ILE A 40 1.742 -1.144 -9.084 1.00 0.00 H new ATOM 0 HA ILE A 40 1.023 -2.081 -6.224 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.510 -1.515 -8.214 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.157 -4.166 -6.769 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.868 -2.771 -5.749 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.371 -3.846 -9.078 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.279 -3.505 -9.652 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.026 -4.594 -8.267 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.309 -2.974 -6.286 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.642 -1.481 -6.988 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.935 -2.898 -8.024 1.00 0.00 H new ATOM 650 N ARG A 41 3.293 -3.302 -6.665 1.00 0.00 N ATOM 651 CA ARG A 41 4.380 -4.204 -6.962 1.00 0.00 C ATOM 652 C ARG A 41 3.997 -5.555 -6.369 1.00 0.00 C ATOM 653 O ARG A 41 3.174 -5.619 -5.465 1.00 0.00 O ATOM 654 CB ARG A 41 5.659 -3.601 -6.355 1.00 0.00 C ATOM 655 CG ARG A 41 5.819 -3.727 -4.830 1.00 0.00 C ATOM 656 CD ARG A 41 6.666 -4.941 -4.413 1.00 0.00 C ATOM 657 NE ARG A 41 7.794 -4.499 -3.600 1.00 0.00 N ATOM 658 CZ ARG A 41 8.640 -5.370 -3.022 1.00 0.00 C ATOM 659 NH1 ARG A 41 8.477 -6.678 -3.179 1.00 0.00 N ATOM 660 NH2 ARG A 41 9.649 -4.916 -2.288 1.00 0.00 N ATOM 0 H ARG A 41 3.322 -2.819 -5.767 1.00 0.00 H new ATOM 0 HA ARG A 41 4.566 -4.344 -8.027 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.518 -4.076 -6.829 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.695 -2.543 -6.616 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.280 -2.819 -4.442 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.833 -3.804 -4.372 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.055 -5.647 -3.851 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.027 -5.466 -5.298 1.00 0.00 H new ATOM 0 HE ARG A 41 7.945 -3.499 -3.466 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.704 -7.032 -3.743 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.125 -7.329 -2.736 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.779 -3.912 -2.165 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.294 -5.571 -1.847 1.00 0.00 H new ATOM 674 N GLU A 42 4.633 -6.619 -6.892 1.00 0.00 N ATOM 675 CA GLU A 42 4.277 -7.933 -6.363 1.00 0.00 C ATOM 676 C GLU A 42 5.194 -8.286 -5.208 1.00 0.00 C ATOM 677 O GLU A 42 6.370 -7.956 -5.225 1.00 0.00 O ATOM 678 CB GLU A 42 4.248 -8.986 -7.483 1.00 0.00 C ATOM 679 CG GLU A 42 5.598 -9.525 -7.937 1.00 0.00 C ATOM 680 CD GLU A 42 5.463 -10.634 -9.000 1.00 0.00 C ATOM 681 OE1 GLU A 42 4.510 -10.609 -9.779 1.00 0.00 O ATOM 682 OE2 GLU A 42 6.321 -11.514 -9.033 1.00 0.00 O ATOM 0 H GLU A 42 5.342 -6.599 -7.625 1.00 0.00 H new ATOM 0 HA GLU A 42 3.264 -7.911 -5.961 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.640 -9.826 -7.147 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.744 -8.553 -8.347 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.194 -8.708 -8.343 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.138 -9.916 -7.075 1.00 0.00 H new ATOM 689 N SER A 43 4.629 -8.956 -4.190 1.00 0.00 N ATOM 690 CA SER A 43 5.548 -9.322 -3.118 1.00 0.00 C ATOM 691 C SER A 43 6.332 -10.546 -3.648 1.00 0.00 C ATOM 692 O SER A 43 5.724 -11.577 -3.905 1.00 0.00 O ATOM 693 CB SER A 43 4.763 -9.571 -1.824 1.00 0.00 C ATOM 694 OG SER A 43 5.742 -9.196 -0.751 1.00 0.00 O ATOM 0 H SER A 43 3.651 -9.228 -4.091 1.00 0.00 H new ATOM 0 HA SER A 43 6.258 -8.537 -2.857 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.861 -8.961 -1.777 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.449 -10.611 -1.737 1.00 0.00 H new ATOM 0 HG SER A 43 5.327 -9.321 0.128 1.00 0.00 H new ATOM 700 N GLU A 44 7.657 -10.363 -3.887 1.00 0.00 N ATOM 701 CA GLU A 44 8.504 -11.437 -4.419 1.00 0.00 C ATOM 702 C GLU A 44 8.874 -12.502 -3.354 1.00 0.00 C ATOM 703 O GLU A 44 10.023 -12.897 -3.195 1.00 0.00 O ATOM 704 CB GLU A 44 9.792 -10.883 -5.031 1.00 0.00 C ATOM 705 CG GLU A 44 10.617 -10.046 -4.028 1.00 0.00 C ATOM 706 CD GLU A 44 12.086 -9.882 -4.460 1.00 0.00 C ATOM 707 OE1 GLU A 44 12.877 -10.799 -4.229 1.00 0.00 O ATOM 708 OE2 GLU A 44 12.427 -8.833 -5.003 1.00 0.00 O ATOM 0 H GLU A 44 8.149 -9.485 -3.718 1.00 0.00 H new ATOM 0 HA GLU A 44 7.906 -11.921 -5.191 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.401 -11.710 -5.395 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.543 -10.266 -5.894 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.162 -9.061 -3.921 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.581 -10.522 -3.048 1.00 0.00 H new ATOM 715 N SER A 45 7.833 -12.934 -2.647 1.00 0.00 N ATOM 716 CA SER A 45 7.954 -13.915 -1.585 1.00 0.00 C ATOM 717 C SER A 45 6.761 -14.870 -1.612 1.00 0.00 C ATOM 718 O SER A 45 6.895 -16.069 -1.408 1.00 0.00 O ATOM 719 CB SER A 45 8.103 -13.184 -0.231 1.00 0.00 C ATOM 720 OG SER A 45 6.902 -12.515 0.337 1.00 0.00 O ATOM 0 H SER A 45 6.879 -12.608 -2.800 1.00 0.00 H new ATOM 0 HA SER A 45 8.846 -14.524 -1.732 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.460 -13.908 0.502 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.883 -12.431 -0.342 1.00 0.00 H new ATOM 0 HG SER A 45 7.135 -12.095 1.192 1.00 0.00 H new ATOM 726 N ASN A 46 5.592 -14.258 -1.893 1.00 0.00 N ATOM 727 CA ASN A 46 4.324 -14.975 -1.960 1.00 0.00 C ATOM 728 C ASN A 46 3.858 -15.170 -3.411 1.00 0.00 C ATOM 729 O ASN A 46 3.951 -14.292 -4.259 1.00 0.00 O ATOM 730 CB ASN A 46 3.229 -14.237 -1.184 1.00 0.00 C ATOM 731 CG ASN A 46 3.360 -12.748 -1.334 1.00 0.00 C ATOM 732 OD1 ASN A 46 3.629 -12.035 -0.375 1.00 0.00 O ATOM 733 ND2 ASN A 46 3.150 -12.343 -2.589 1.00 0.00 N ATOM 0 H ASN A 46 5.512 -13.258 -2.077 1.00 0.00 H new ATOM 0 HA ASN A 46 4.496 -15.952 -1.508 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.250 -14.556 -1.542 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.285 -14.504 -0.129 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.208 -11.352 -2.821 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.931 -13.025 -3.315 1.00 0.00 H new ATOM 740 N LYS A 47 3.410 -16.409 -3.642 1.00 0.00 N ATOM 741 CA LYS A 47 2.833 -16.855 -4.903 1.00 0.00 C ATOM 742 C LYS A 47 1.436 -16.294 -5.206 1.00 0.00 C ATOM 743 O LYS A 47 0.561 -17.046 -5.613 1.00 0.00 O ATOM 744 CB LYS A 47 2.980 -18.352 -5.157 1.00 0.00 C ATOM 745 CG LYS A 47 2.444 -19.185 -4.016 1.00 0.00 C ATOM 746 CD LYS A 47 3.446 -19.259 -2.861 1.00 0.00 C ATOM 747 CE LYS A 47 3.794 -20.678 -2.403 1.00 0.00 C ATOM 748 NZ LYS A 47 5.033 -21.180 -2.995 1.00 0.00 N ATOM 0 H LYS A 47 3.442 -17.144 -2.935 1.00 0.00 H new ATOM 0 HA LYS A 47 3.463 -16.388 -5.660 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.454 -18.616 -6.074 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.032 -18.590 -5.314 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.507 -18.757 -3.660 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.221 -20.191 -4.371 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.364 -18.754 -3.162 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.042 -18.707 -2.012 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.885 -20.692 -1.317 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.975 -21.349 -2.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.218 -22.143 -2.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.941 -21.196 -4.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.823 -20.559 -2.727 1.00 0.00 H new ATOM 762 N GLY A 48 1.238 -14.982 -4.984 1.00 0.00 N ATOM 763 CA GLY A 48 -0.096 -14.446 -5.251 1.00 0.00 C ATOM 764 C GLY A 48 -0.420 -13.129 -4.548 1.00 0.00 C ATOM 765 O GLY A 48 -1.464 -12.540 -4.798 1.00 0.00 O ATOM 0 H GLY A 48 1.934 -14.318 -4.644 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.204 -14.302 -6.326 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.835 -15.190 -4.954 1.00 0.00 H new ATOM 769 N ALA A 49 0.515 -12.690 -3.673 1.00 0.00 N ATOM 770 CA ALA A 49 0.271 -11.425 -2.939 1.00 0.00 C ATOM 771 C ALA A 49 1.019 -10.265 -3.639 1.00 0.00 C ATOM 772 O ALA A 49 1.975 -10.479 -4.378 1.00 0.00 O ATOM 773 CB ALA A 49 0.621 -11.501 -1.423 1.00 0.00 C ATOM 0 H ALA A 49 1.396 -13.160 -3.465 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.802 -11.238 -2.971 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.416 -10.539 -0.954 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.015 -12.273 -0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.677 -11.745 -1.305 1.00 0.00 H new ATOM 779 N PHE A 50 0.537 -9.039 -3.349 1.00 0.00 N ATOM 780 CA PHE A 50 1.089 -7.815 -3.931 1.00 0.00 C ATOM 781 C PHE A 50 1.166 -6.750 -2.802 1.00 0.00 C ATOM 782 O PHE A 50 0.822 -7.006 -1.655 1.00 0.00 O ATOM 783 CB PHE A 50 0.215 -7.366 -5.151 1.00 0.00 C ATOM 784 CG PHE A 50 0.260 -8.287 -6.346 1.00 0.00 C ATOM 785 CD1 PHE A 50 -0.494 -9.456 -6.338 1.00 0.00 C ATOM 786 CD2 PHE A 50 0.999 -7.984 -7.488 1.00 0.00 C ATOM 787 CE1 PHE A 50 -0.503 -10.312 -7.426 1.00 0.00 C ATOM 788 CE2 PHE A 50 0.957 -8.818 -8.603 1.00 0.00 C ATOM 789 CZ PHE A 50 0.199 -9.981 -8.577 1.00 0.00 C ATOM 0 H PHE A 50 -0.240 -8.878 -2.709 1.00 0.00 H new ATOM 0 HA PHE A 50 2.094 -7.969 -4.323 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.820 -7.274 -4.822 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.539 -6.374 -5.464 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.083 -9.700 -5.467 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.610 -7.094 -7.509 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.057 -11.238 -7.379 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.516 -8.559 -9.490 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.156 -10.623 -9.445 1.00 0.00 H new ATOM 799 N SER A 51 1.580 -5.542 -3.219 1.00 0.00 N ATOM 800 CA SER A 51 1.728 -4.351 -2.382 1.00 0.00 C ATOM 801 C SER A 51 1.413 -3.150 -3.296 1.00 0.00 C ATOM 802 O SER A 51 1.449 -3.290 -4.506 1.00 0.00 O ATOM 803 CB SER A 51 3.193 -4.260 -1.833 1.00 0.00 C ATOM 804 OG SER A 51 3.659 -4.943 -0.596 1.00 0.00 O ATOM 0 H SER A 51 1.830 -5.367 -4.192 1.00 0.00 H new ATOM 0 HA SER A 51 1.062 -4.375 -1.520 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.842 -4.608 -2.637 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.401 -3.199 -1.692 1.00 0.00 H new ATOM 0 HG SER A 51 4.608 -4.745 -0.451 1.00 0.00 H new ATOM 810 N LEU A 52 1.133 -1.984 -2.674 1.00 0.00 N ATOM 811 CA LEU A 52 0.771 -0.777 -3.419 1.00 0.00 C ATOM 812 C LEU A 52 1.276 0.513 -2.711 1.00 0.00 C ATOM 813 O LEU A 52 1.008 0.749 -1.539 1.00 0.00 O ATOM 814 CB LEU A 52 -0.768 -0.851 -3.417 1.00 0.00 C ATOM 815 CG LEU A 52 -1.507 0.218 -4.226 1.00 0.00 C ATOM 816 CD1 LEU A 52 -1.136 0.095 -5.701 1.00 0.00 C ATOM 817 CD2 LEU A 52 -3.042 0.189 -3.991 1.00 0.00 C ATOM 0 H LEU A 52 1.153 -1.862 -1.662 1.00 0.00 H new ATOM 0 HA LEU A 52 1.212 -0.732 -4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.062 -1.829 -3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.110 -0.794 -2.384 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.185 1.198 -3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.664 0.857 -6.274 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.061 0.232 -5.818 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.418 -0.893 -6.066 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.516 0.967 -4.589 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.437 -0.784 -4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.252 0.363 -2.936 1.00 0.00 H new ATOM 829 N SER A 53 2.053 1.287 -3.495 1.00 0.00 N ATOM 830 CA SER A 53 2.654 2.564 -3.143 1.00 0.00 C ATOM 831 C SER A 53 1.868 3.699 -3.839 1.00 0.00 C ATOM 832 O SER A 53 1.536 3.591 -5.007 1.00 0.00 O ATOM 833 CB SER A 53 4.156 2.521 -3.529 1.00 0.00 C ATOM 834 OG SER A 53 5.165 1.930 -2.607 1.00 0.00 O ATOM 0 H SER A 53 2.285 1.008 -4.448 1.00 0.00 H new ATOM 0 HA SER A 53 2.601 2.759 -2.072 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.229 1.980 -4.472 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.465 3.547 -3.726 1.00 0.00 H new ATOM 0 HG SER A 53 6.054 1.988 -3.015 1.00 0.00 H new ATOM 840 N VAL A 54 1.627 4.792 -3.075 1.00 0.00 N ATOM 841 CA VAL A 54 0.913 5.966 -3.609 1.00 0.00 C ATOM 842 C VAL A 54 1.632 7.164 -3.059 1.00 0.00 C ATOM 843 O VAL A 54 2.146 7.076 -1.955 1.00 0.00 O ATOM 844 CB VAL A 54 -0.563 6.057 -3.167 1.00 0.00 C ATOM 845 CG1 VAL A 54 -1.305 7.270 -3.763 1.00 0.00 C ATOM 846 CG2 VAL A 54 -1.241 4.697 -3.302 1.00 0.00 C ATOM 0 H VAL A 54 1.914 4.880 -2.100 1.00 0.00 H new ATOM 0 HA VAL A 54 0.906 5.901 -4.697 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.606 6.286 -2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.337 7.274 -3.412 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.811 8.189 -3.448 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.292 7.206 -4.851 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.281 4.776 -2.987 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.201 4.372 -4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.726 3.970 -2.674 1.00 0.00 H new ATOM 856 N LYS A 55 1.625 8.303 -3.773 1.00 0.00 N ATOM 857 CA LYS A 55 2.363 9.368 -3.109 1.00 0.00 C ATOM 858 C LYS A 55 1.521 10.027 -2.006 1.00 0.00 C ATOM 859 O LYS A 55 0.369 10.436 -2.249 1.00 0.00 O ATOM 860 CB LYS A 55 2.681 10.309 -4.251 1.00 0.00 C ATOM 861 CG LYS A 55 3.486 11.580 -3.973 1.00 0.00 C ATOM 862 CD LYS A 55 4.625 11.686 -4.985 1.00 0.00 C ATOM 863 CE LYS A 55 5.474 12.940 -4.823 1.00 0.00 C ATOM 864 NZ LYS A 55 6.247 13.282 -6.009 1.00 0.00 N ATOM 0 H LYS A 55 1.186 8.492 -4.674 1.00 0.00 H new ATOM 0 HA LYS A 55 3.258 9.030 -2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.222 9.737 -5.005 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.735 10.612 -4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.840 12.456 -4.041 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.886 11.557 -2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.266 10.809 -4.890 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.207 11.668 -5.992 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.824 13.778 -4.570 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.156 12.801 -3.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.138 13.736 -5.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.456 12.418 -6.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.700 13.937 -6.603 1.00 0.00 H new ATOM 878 N ASP A 56 2.111 10.150 -0.799 1.00 0.00 N ATOM 879 CA ASP A 56 1.358 10.817 0.246 1.00 0.00 C ATOM 880 C ASP A 56 2.009 12.179 0.448 1.00 0.00 C ATOM 881 O ASP A 56 3.213 12.373 0.451 1.00 0.00 O ATOM 882 CB ASP A 56 1.385 9.974 1.523 1.00 0.00 C ATOM 883 CG ASP A 56 0.882 10.702 2.791 1.00 0.00 C ATOM 884 OD1 ASP A 56 1.623 11.505 3.353 1.00 0.00 O ATOM 885 OD2 ASP A 56 -0.250 10.464 3.206 1.00 0.00 O ATOM 0 H ASP A 56 3.042 9.817 -0.547 1.00 0.00 H new ATOM 0 HA ASP A 56 0.309 10.944 -0.022 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.776 9.084 1.367 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.406 9.635 1.697 1.00 0.00 H new ATOM 890 N ILE A 57 1.043 13.110 0.563 1.00 0.00 N ATOM 891 CA ILE A 57 1.355 14.510 0.740 1.00 0.00 C ATOM 892 C ILE A 57 0.975 14.894 2.171 1.00 0.00 C ATOM 893 O ILE A 57 -0.182 14.857 2.570 1.00 0.00 O ATOM 894 CB ILE A 57 0.594 15.348 -0.312 1.00 0.00 C ATOM 895 CG1 ILE A 57 0.589 14.722 -1.719 1.00 0.00 C ATOM 896 CG2 ILE A 57 1.053 16.812 -0.326 1.00 0.00 C ATOM 897 CD1 ILE A 57 1.923 14.781 -2.383 1.00 0.00 C ATOM 0 H ILE A 57 0.045 12.901 0.534 1.00 0.00 H new ATOM 0 HA ILE A 57 2.417 14.705 0.593 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.448 15.341 0.008 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.269 13.682 -1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.143 15.239 -2.339 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.491 17.362 -1.080 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.878 17.257 0.653 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.116 16.858 -0.561 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.858 14.325 -3.371 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.234 15.821 -2.483 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.653 14.240 -1.781 1.00 0.00 H new ATOM 909 N THR A 58 2.058 15.161 2.915 1.00 0.00 N ATOM 910 CA THR A 58 1.978 15.571 4.315 1.00 0.00 C ATOM 911 C THR A 58 2.893 16.768 4.548 1.00 0.00 C ATOM 912 O THR A 58 3.762 17.089 3.744 1.00 0.00 O ATOM 913 CB THR A 58 2.247 14.379 5.249 1.00 0.00 C ATOM 914 OG1 THR A 58 1.927 14.858 6.609 1.00 0.00 O ATOM 915 CG2 THR A 58 3.619 13.726 4.856 1.00 0.00 C ATOM 0 H THR A 58 3.012 15.097 2.559 1.00 0.00 H new ATOM 0 HA THR A 58 0.967 15.900 4.556 1.00 0.00 H new ATOM 0 HB THR A 58 1.620 13.491 5.167 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.078 14.136 7.254 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.820 12.879 5.512 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.575 13.382 3.823 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.416 14.463 4.960 1.00 0.00 H new ATOM 923 N THR A 59 2.618 17.412 5.700 1.00 0.00 N ATOM 924 CA THR A 59 3.381 18.577 6.131 1.00 0.00 C ATOM 925 C THR A 59 4.807 18.139 6.560 1.00 0.00 C ATOM 926 O THR A 59 5.691 18.974 6.702 1.00 0.00 O ATOM 927 CB THR A 59 2.605 19.304 7.292 1.00 0.00 C ATOM 928 OG1 THR A 59 3.134 20.495 7.980 1.00 0.00 O ATOM 929 CG2 THR A 59 2.447 18.328 8.468 1.00 0.00 C ATOM 0 H THR A 59 1.873 17.138 6.340 1.00 0.00 H new ATOM 0 HA THR A 59 3.493 19.285 5.310 1.00 0.00 H new ATOM 0 HB THR A 59 1.739 19.638 6.720 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.496 20.788 8.664 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.911 18.820 9.279 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.887 17.452 8.141 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.432 18.019 8.819 1.00 0.00 H new ATOM 937 N GLN A 60 4.988 16.795 6.739 1.00 0.00 N ATOM 938 CA GLN A 60 6.300 16.267 7.138 1.00 0.00 C ATOM 939 C GLN A 60 7.075 15.719 5.922 1.00 0.00 C ATOM 940 O GLN A 60 7.707 14.669 5.973 1.00 0.00 O ATOM 941 CB GLN A 60 6.179 15.210 8.253 1.00 0.00 C ATOM 942 CG GLN A 60 5.900 15.794 9.650 1.00 0.00 C ATOM 943 CD GLN A 60 7.216 16.032 10.417 1.00 0.00 C ATOM 944 OE1 GLN A 60 7.530 15.346 11.382 1.00 0.00 O ATOM 945 NE2 GLN A 60 7.967 17.032 9.932 1.00 0.00 N ATOM 0 H GLN A 60 4.260 16.091 6.615 1.00 0.00 H new ATOM 0 HA GLN A 60 6.872 17.099 7.548 1.00 0.00 H new ATOM 0 HB2 GLN A 60 5.379 14.516 7.995 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.102 14.631 8.291 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.355 16.733 9.554 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.264 15.112 10.214 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.646 17.565 9.124 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.859 17.259 10.372 1.00 0.00 H new ATOM 954 N GLY A 61 6.982 16.509 4.831 1.00 0.00 N ATOM 955 CA GLY A 61 7.650 16.160 3.586 1.00 0.00 C ATOM 956 C GLY A 61 6.777 15.232 2.740 1.00 0.00 C ATOM 957 O GLY A 61 5.816 14.656 3.227 1.00 0.00 O ATOM 0 H GLY A 61 6.454 17.381 4.799 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.876 17.066 3.024 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.601 15.674 3.803 1.00 0.00 H new ATOM 961 N GLU A 62 7.132 15.145 1.443 1.00 0.00 N ATOM 962 CA GLU A 62 6.407 14.286 0.535 1.00 0.00 C ATOM 963 C GLU A 62 6.994 12.865 0.642 1.00 0.00 C ATOM 964 O GLU A 62 8.203 12.654 0.606 1.00 0.00 O ATOM 965 CB GLU A 62 6.586 14.897 -0.845 1.00 0.00 C ATOM 966 CG GLU A 62 5.390 14.626 -1.756 1.00 0.00 C ATOM 967 CD GLU A 62 5.393 15.604 -2.952 1.00 0.00 C ATOM 968 OE1 GLU A 62 6.459 16.083 -3.338 1.00 0.00 O ATOM 969 OE2 GLU A 62 4.330 15.879 -3.497 1.00 0.00 O ATOM 0 H GLU A 62 7.907 15.657 1.022 1.00 0.00 H new ATOM 0 HA GLU A 62 5.343 14.207 0.759 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.730 15.973 -0.748 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.489 14.495 -1.304 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.426 13.598 -2.118 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.463 14.733 -1.192 1.00 0.00 H new ATOM 976 N VAL A 63 6.045 11.924 0.771 1.00 0.00 N ATOM 977 CA VAL A 63 6.337 10.515 0.949 1.00 0.00 C ATOM 978 C VAL A 63 5.456 9.693 -0.016 1.00 0.00 C ATOM 979 O VAL A 63 4.802 10.227 -0.904 1.00 0.00 O ATOM 980 CB VAL A 63 6.060 10.172 2.433 1.00 0.00 C ATOM 981 CG1 VAL A 63 6.852 11.082 3.387 1.00 0.00 C ATOM 982 CG2 VAL A 63 4.536 10.157 2.751 1.00 0.00 C ATOM 0 H VAL A 63 5.047 12.135 0.753 1.00 0.00 H new ATOM 0 HA VAL A 63 7.376 10.277 0.719 1.00 0.00 H new ATOM 0 HB VAL A 63 6.420 9.157 2.602 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.630 10.809 4.419 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.919 10.962 3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.569 12.121 3.218 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.386 9.912 3.803 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.111 11.139 2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.042 9.409 2.130 1.00 0.00 H new ATOM 992 N VAL A 64 5.484 8.367 0.239 1.00 0.00 N ATOM 993 CA VAL A 64 4.696 7.384 -0.494 1.00 0.00 C ATOM 994 C VAL A 64 3.693 6.828 0.536 1.00 0.00 C ATOM 995 O VAL A 64 3.454 7.428 1.561 1.00 0.00 O ATOM 996 CB VAL A 64 5.624 6.347 -1.192 1.00 0.00 C ATOM 997 CG1 VAL A 64 4.965 5.336 -2.137 1.00 0.00 C ATOM 998 CG2 VAL A 64 6.578 7.058 -2.111 1.00 0.00 C ATOM 0 H VAL A 64 6.065 7.957 0.970 1.00 0.00 H new ATOM 0 HA VAL A 64 4.132 7.793 -1.332 1.00 0.00 H new ATOM 0 HB VAL A 64 6.053 5.822 -0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.727 4.676 -2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.234 4.745 -1.585 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.465 5.867 -2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.226 6.329 -2.598 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.015 7.605 -2.867 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.186 7.756 -1.535 1.00 0.00 H new ATOM 1008 N LYS A 65 3.084 5.706 0.177 1.00 0.00 N ATOM 1009 CA LYS A 65 2.138 4.914 0.962 1.00 0.00 C ATOM 1010 C LYS A 65 2.427 3.430 0.835 1.00 0.00 C ATOM 1011 O LYS A 65 3.049 3.047 -0.130 1.00 0.00 O ATOM 1012 CB LYS A 65 0.707 5.172 0.616 1.00 0.00 C ATOM 1013 CG LYS A 65 0.174 6.325 1.477 1.00 0.00 C ATOM 1014 CD LYS A 65 -0.674 7.181 0.649 1.00 0.00 C ATOM 1015 CE LYS A 65 -1.579 8.113 1.458 1.00 0.00 C ATOM 1016 NZ LYS A 65 -2.793 7.445 1.889 1.00 0.00 N ATOM 0 H LYS A 65 3.249 5.292 -0.740 1.00 0.00 H new ATOM 0 HA LYS A 65 2.283 5.234 1.994 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.616 5.421 -0.441 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.113 4.274 0.784 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.395 5.934 2.321 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.002 6.901 1.890 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.042 7.780 -0.006 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.293 6.554 0.008 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.037 8.480 2.330 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.838 8.983 0.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.356 8.093 2.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.348 7.162 1.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.546 6.601 2.444 1.00 0.00 H new ATOM 1030 N HIS A 66 1.875 2.635 1.769 1.00 0.00 N ATOM 1031 CA HIS A 66 2.055 1.174 1.655 1.00 0.00 C ATOM 1032 C HIS A 66 0.746 0.470 2.093 1.00 0.00 C ATOM 1033 O HIS A 66 0.441 0.437 3.277 1.00 0.00 O ATOM 1034 CB HIS A 66 3.189 0.700 2.588 1.00 0.00 C ATOM 1035 CG HIS A 66 4.539 0.713 1.916 1.00 0.00 C ATOM 1036 ND1 HIS A 66 5.138 1.804 1.402 1.00 0.00 N ATOM 1037 CD2 HIS A 66 5.395 -0.385 1.746 1.00 0.00 C ATOM 1038 CE1 HIS A 66 6.321 1.380 0.933 1.00 0.00 C ATOM 1039 NE2 HIS A 66 6.503 0.065 1.128 1.00 0.00 N ATOM 0 H HIS A 66 1.329 2.954 2.570 1.00 0.00 H new ATOM 0 HA HIS A 66 2.303 0.930 0.622 1.00 0.00 H new ATOM 0 HB2 HIS A 66 3.220 1.340 3.469 1.00 0.00 H new ATOM 0 HB3 HIS A 66 2.970 -0.310 2.935 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.769 2.755 1.375 1.00 0.00 H new ATOM 0 HD2 HIS A 66 5.201 -1.402 2.054 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.044 2.023 0.453 1.00 0.00 H new ATOM 1047 N TYR A 67 0.022 -0.102 1.101 1.00 0.00 N ATOM 1048 CA TYR A 67 -1.241 -0.834 1.331 1.00 0.00 C ATOM 1049 C TYR A 67 -1.030 -2.311 0.893 1.00 0.00 C ATOM 1050 O TYR A 67 -0.653 -2.589 -0.240 1.00 0.00 O ATOM 1051 CB TYR A 67 -2.385 -0.215 0.502 1.00 0.00 C ATOM 1052 CG TYR A 67 -2.796 1.127 1.031 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -3.588 1.211 2.168 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -2.343 2.291 0.436 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -3.875 2.445 2.759 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -2.618 3.522 1.007 1.00 0.00 C ATOM 1057 CZ TYR A 67 -3.356 3.631 2.180 1.00 0.00 C ATOM 1058 OH TYR A 67 -3.431 4.949 2.654 1.00 0.00 O ATOM 0 H TYR A 67 0.300 -0.067 0.120 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.510 -0.776 2.386 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.068 -0.115 -0.536 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.243 -0.887 0.510 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.989 0.308 2.603 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.772 2.239 -0.479 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.486 2.495 3.648 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.251 4.419 0.530 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.465 4.943 3.633 1.00 0.00 H new ATOM 1068 N LYS A 68 -1.233 -3.216 1.882 1.00 0.00 N ATOM 1069 CA LYS A 68 -1.107 -4.668 1.735 1.00 0.00 C ATOM 1070 C LYS A 68 -2.326 -5.320 1.046 1.00 0.00 C ATOM 1071 O LYS A 68 -3.435 -5.275 1.564 1.00 0.00 O ATOM 1072 CB LYS A 68 -0.774 -5.281 3.103 1.00 0.00 C ATOM 1073 CG LYS A 68 -1.975 -5.378 4.043 1.00 0.00 C ATOM 1074 CD LYS A 68 -2.769 -6.673 3.825 1.00 0.00 C ATOM 1075 CE LYS A 68 -2.622 -7.698 4.949 1.00 0.00 C ATOM 1076 NZ LYS A 68 -3.850 -8.451 5.165 1.00 0.00 N ATOM 0 H LYS A 68 -1.496 -2.937 2.827 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.284 -4.881 1.053 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.360 -6.278 2.953 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.002 -4.682 3.580 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.632 -5.332 5.077 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.629 -4.520 3.886 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.824 -6.424 3.712 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.447 -7.129 2.889 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.812 -8.387 4.708 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.343 -7.188 5.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.615 -9.428 5.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.400 -8.006 5.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.412 -8.457 4.290 1.00 0.00 H new ATOM 1090 N ILE A 69 -2.070 -5.851 -0.171 1.00 0.00 N ATOM 1091 CA ILE A 69 -2.989 -6.620 -1.020 1.00 0.00 C ATOM 1092 C ILE A 69 -2.839 -8.146 -0.833 1.00 0.00 C ATOM 1093 O ILE A 69 -1.771 -8.716 -1.056 1.00 0.00 O ATOM 1094 CB ILE A 69 -3.083 -6.162 -2.477 1.00 0.00 C ATOM 1095 CG1 ILE A 69 -1.780 -5.568 -2.958 1.00 0.00 C ATOM 1096 CG2 ILE A 69 -4.383 -5.472 -2.912 1.00 0.00 C ATOM 1097 CD1 ILE A 69 -1.922 -4.901 -4.292 1.00 0.00 C ATOM 0 H ILE A 69 -1.155 -5.743 -0.609 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.981 -6.373 -0.641 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.212 -7.072 -3.063 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.421 -4.843 -2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.027 -6.353 -3.024 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.316 -5.200 -3.965 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.222 -6.152 -2.766 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.536 -4.574 -2.314 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.960 -4.489 -4.597 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.255 -5.631 -5.030 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.655 -4.097 -4.221 1.00 0.00 H new ATOM 1109 N ARG A 70 -3.951 -8.761 -0.404 1.00 0.00 N ATOM 1110 CA ARG A 70 -4.024 -10.206 -0.216 1.00 0.00 C ATOM 1111 C ARG A 70 -4.682 -10.813 -1.451 1.00 0.00 C ATOM 1112 O ARG A 70 -5.270 -10.099 -2.247 1.00 0.00 O ATOM 1113 CB ARG A 70 -4.763 -10.536 1.084 1.00 0.00 C ATOM 1114 CG ARG A 70 -3.757 -10.598 2.238 1.00 0.00 C ATOM 1115 CD ARG A 70 -4.175 -11.738 3.152 1.00 0.00 C ATOM 1116 NE ARG A 70 -3.648 -11.595 4.509 1.00 0.00 N ATOM 1117 CZ ARG A 70 -2.348 -11.787 4.827 1.00 0.00 C ATOM 1118 NH1 ARG A 70 -1.472 -12.202 3.922 1.00 0.00 N ATOM 1119 NH2 ARG A 70 -1.936 -11.563 6.067 1.00 0.00 N ATOM 0 H ARG A 70 -4.816 -8.269 -0.181 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.029 -10.640 -0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.520 -9.779 1.287 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.283 -11.489 0.988 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.749 -10.762 1.858 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.743 -9.655 2.784 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.263 -11.786 3.192 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.830 -12.682 2.730 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.295 -11.337 5.254 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.774 -12.383 2.965 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.496 -12.340 4.183 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.599 -11.248 6.775 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.956 -11.706 6.313 1.00 0.00 H new ATOM 1133 N SER A 71 -4.592 -12.158 -1.528 1.00 0.00 N ATOM 1134 CA SER A 71 -5.188 -12.874 -2.648 1.00 0.00 C ATOM 1135 C SER A 71 -6.032 -14.016 -2.100 1.00 0.00 C ATOM 1136 O SER A 71 -5.544 -14.971 -1.508 1.00 0.00 O ATOM 1137 CB SER A 71 -4.097 -13.449 -3.583 1.00 0.00 C ATOM 1138 OG SER A 71 -2.940 -14.176 -3.000 1.00 0.00 O ATOM 0 H SER A 71 -4.122 -12.747 -0.841 1.00 0.00 H new ATOM 0 HA SER A 71 -5.802 -12.182 -3.224 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.589 -14.126 -4.281 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.700 -12.620 -4.169 1.00 0.00 H new ATOM 0 HG SER A 71 -2.626 -14.853 -3.635 1.00 0.00 H new ATOM 1144 N LEU A 72 -7.350 -13.800 -2.292 1.00 0.00 N ATOM 1145 CA LEU A 72 -8.359 -14.724 -1.826 1.00 0.00 C ATOM 1146 C LEU A 72 -8.753 -15.675 -2.937 1.00 0.00 C ATOM 1147 O LEU A 72 -8.873 -15.304 -4.098 1.00 0.00 O ATOM 1148 CB LEU A 72 -9.549 -13.945 -1.244 1.00 0.00 C ATOM 1149 CG LEU A 72 -9.124 -12.652 -0.562 1.00 0.00 C ATOM 1150 CD1 LEU A 72 -7.931 -12.904 0.382 1.00 0.00 C ATOM 1151 CD2 LEU A 72 -8.965 -11.498 -1.582 1.00 0.00 C ATOM 0 H LEU A 72 -7.724 -12.982 -2.772 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.959 -15.340 -1.021 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.254 -13.715 -2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.075 -14.575 -0.526 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.918 -12.297 0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.641 -11.968 0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.217 -13.628 1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.090 -13.294 -0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.661 -10.591 -1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.207 -11.765 -2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.915 -11.325 -2.087 1.00 0.00 H new ATOM 1163 N ASP A 73 -8.976 -16.914 -2.469 1.00 0.00 N ATOM 1164 CA ASP A 73 -9.381 -17.984 -3.379 1.00 0.00 C ATOM 1165 C ASP A 73 -10.755 -17.731 -4.022 1.00 0.00 C ATOM 1166 O ASP A 73 -11.064 -18.257 -5.085 1.00 0.00 O ATOM 1167 CB ASP A 73 -9.471 -19.340 -2.673 1.00 0.00 C ATOM 1168 CG ASP A 73 -10.427 -19.370 -1.463 1.00 0.00 C ATOM 1169 OD1 ASP A 73 -10.176 -18.666 -0.484 1.00 0.00 O ATOM 1170 OD2 ASP A 73 -11.422 -20.090 -1.520 1.00 0.00 O ATOM 0 H ASP A 73 -8.884 -17.190 -1.491 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.605 -17.997 -4.144 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.795 -20.090 -3.394 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.474 -19.628 -2.339 1.00 0.00 H new ATOM 1175 N ASN A 74 -11.527 -16.867 -3.330 1.00 0.00 N ATOM 1176 CA ASN A 74 -12.863 -16.537 -3.802 1.00 0.00 C ATOM 1177 C ASN A 74 -13.192 -15.061 -3.526 1.00 0.00 C ATOM 1178 O ASN A 74 -14.305 -14.682 -3.190 1.00 0.00 O ATOM 1179 CB ASN A 74 -13.913 -17.440 -3.128 1.00 0.00 C ATOM 1180 CG ASN A 74 -14.119 -17.194 -1.617 1.00 0.00 C ATOM 1181 OD1 ASN A 74 -15.099 -16.597 -1.189 1.00 0.00 O ATOM 1182 ND2 ASN A 74 -13.152 -17.697 -0.844 1.00 0.00 N ATOM 0 H ASN A 74 -11.247 -16.402 -2.466 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.889 -16.705 -4.879 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.868 -17.302 -3.636 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.622 -18.480 -3.274 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.204 -17.594 0.169 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -12.362 -18.184 -1.267 1.00 0.00 H new ATOM 1189 N GLY A 75 -12.128 -14.263 -3.722 1.00 0.00 N ATOM 1190 CA GLY A 75 -12.282 -12.832 -3.489 1.00 0.00 C ATOM 1191 C GLY A 75 -11.212 -11.943 -4.122 1.00 0.00 C ATOM 1192 O GLY A 75 -11.089 -10.784 -3.766 1.00 0.00 O ATOM 0 H GLY A 75 -11.203 -14.569 -4.025 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.256 -12.523 -3.867 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.287 -12.655 -2.413 1.00 0.00 H new ATOM 1196 N GLY A 76 -10.442 -12.522 -5.059 1.00 0.00 N ATOM 1197 CA GLY A 76 -9.407 -11.809 -5.799 1.00 0.00 C ATOM 1198 C GLY A 76 -8.329 -11.118 -4.967 1.00 0.00 C ATOM 1199 O GLY A 76 -7.331 -11.717 -4.602 1.00 0.00 O ATOM 0 H GLY A 76 -10.527 -13.504 -5.320 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.919 -12.516 -6.470 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.890 -11.058 -6.423 1.00 0.00 H new ATOM 1203 N TYR A 77 -8.641 -9.837 -4.649 1.00 0.00 N ATOM 1204 CA TYR A 77 -7.747 -8.969 -3.901 1.00 0.00 C ATOM 1205 C TYR A 77 -8.599 -8.145 -2.951 1.00 0.00 C ATOM 1206 O TYR A 77 -9.733 -7.785 -3.226 1.00 0.00 O ATOM 1207 CB TYR A 77 -6.894 -8.069 -4.833 1.00 0.00 C ATOM 1208 CG TYR A 77 -6.102 -8.895 -5.802 1.00 0.00 C ATOM 1209 CD1 TYR A 77 -6.646 -9.265 -7.027 1.00 0.00 C ATOM 1210 CD2 TYR A 77 -4.823 -9.313 -5.476 1.00 0.00 C ATOM 1211 CE1 TYR A 77 -5.938 -10.055 -7.920 1.00 0.00 C ATOM 1212 CE2 TYR A 77 -4.099 -10.115 -6.352 1.00 0.00 C ATOM 1213 CZ TYR A 77 -4.643 -10.480 -7.589 1.00 0.00 C ATOM 1214 OH TYR A 77 -3.903 -11.265 -8.463 1.00 0.00 O ATOM 0 H TYR A 77 -9.521 -9.394 -4.911 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.031 -9.570 -3.340 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.544 -7.386 -5.379 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.219 -7.457 -4.235 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.639 -8.931 -7.288 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.385 -9.014 -4.535 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.380 -10.341 -8.863 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.113 -10.458 -6.076 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.947 -11.141 -8.285 1.00 0.00 H new ATOM 1224 N TYR A 78 -7.952 -7.879 -1.802 1.00 0.00 N ATOM 1225 CA TYR A 78 -8.610 -7.087 -0.746 1.00 0.00 C ATOM 1226 C TYR A 78 -7.548 -6.367 0.087 1.00 0.00 C ATOM 1227 O TYR A 78 -6.455 -6.881 0.305 1.00 0.00 O ATOM 1228 CB TYR A 78 -9.578 -7.915 0.140 1.00 0.00 C ATOM 1229 CG TYR A 78 -9.017 -8.444 1.448 1.00 0.00 C ATOM 1230 CD1 TYR A 78 -8.973 -7.598 2.558 1.00 0.00 C ATOM 1231 CD2 TYR A 78 -8.570 -9.760 1.598 1.00 0.00 C ATOM 1232 CE1 TYR A 78 -8.478 -8.017 3.780 1.00 0.00 C ATOM 1233 CE2 TYR A 78 -8.102 -10.202 2.838 1.00 0.00 C ATOM 1234 CZ TYR A 78 -8.020 -9.329 3.930 1.00 0.00 C ATOM 1235 OH TYR A 78 -7.485 -9.759 5.139 1.00 0.00 O ATOM 0 H TYR A 78 -7.005 -8.189 -1.584 1.00 0.00 H new ATOM 0 HA TYR A 78 -9.245 -6.350 -1.237 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -10.446 -7.296 0.367 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -9.935 -8.762 -0.445 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.336 -6.586 2.460 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.586 -10.435 0.755 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -8.446 -7.333 4.615 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.799 -11.232 2.956 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.219 -10.699 5.063 1.00 0.00 H new ATOM 1245 N ILE A 79 -7.893 -5.087 0.391 1.00 0.00 N ATOM 1246 CA ILE A 79 -6.926 -4.290 1.213 1.00 0.00 C ATOM 1247 C ILE A 79 -7.635 -3.904 2.526 1.00 0.00 C ATOM 1248 O ILE A 79 -7.073 -3.988 3.612 1.00 0.00 O ATOM 1249 CB ILE A 79 -6.238 -3.062 0.540 1.00 0.00 C ATOM 1250 CG1 ILE A 79 -7.214 -2.364 -0.335 1.00 0.00 C ATOM 1251 CG2 ILE A 79 -4.976 -3.302 -0.259 1.00 0.00 C ATOM 1252 CD1 ILE A 79 -6.661 -1.202 -1.195 1.00 0.00 C ATOM 0 H ILE A 79 -8.752 -4.612 0.112 1.00 0.00 H new ATOM 0 HA ILE A 79 -6.069 -4.943 1.378 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.909 -2.470 1.394 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.661 -3.100 -1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.016 -1.973 0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.616 -2.356 -0.664 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.212 -3.734 0.388 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.189 -3.990 -1.078 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.468 -0.773 -1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.243 -0.435 -0.544 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.883 -1.579 -1.858 1.00 0.00 H new ATOM 1264 N SER A 80 -8.929 -3.555 2.350 1.00 0.00 N ATOM 1265 CA SER A 80 -9.776 -3.218 3.466 1.00 0.00 C ATOM 1266 C SER A 80 -10.824 -4.323 3.376 1.00 0.00 C ATOM 1267 O SER A 80 -11.423 -4.521 2.333 1.00 0.00 O ATOM 1268 CB SER A 80 -10.481 -1.843 3.315 1.00 0.00 C ATOM 1269 OG SER A 80 -9.650 -0.730 2.778 1.00 0.00 O ATOM 0 H SER A 80 -9.388 -3.506 1.441 1.00 0.00 H new ATOM 0 HA SER A 80 -9.220 -3.145 4.401 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.344 -1.971 2.662 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.862 -1.545 4.292 1.00 0.00 H new ATOM 0 HG SER A 80 -10.191 0.085 2.723 1.00 0.00 H new ATOM 1275 N PRO A 81 -11.042 -5.035 4.504 1.00 0.00 N ATOM 1276 CA PRO A 81 -11.956 -6.165 4.502 1.00 0.00 C ATOM 1277 C PRO A 81 -13.439 -5.833 4.302 1.00 0.00 C ATOM 1278 O PRO A 81 -14.270 -6.726 4.189 1.00 0.00 O ATOM 1279 CB PRO A 81 -11.782 -6.760 5.900 1.00 0.00 C ATOM 1280 CG PRO A 81 -10.689 -6.005 6.634 1.00 0.00 C ATOM 1281 CD PRO A 81 -10.324 -4.845 5.751 1.00 0.00 C ATOM 0 HA PRO A 81 -11.715 -6.814 3.660 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.719 -6.697 6.454 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.525 -7.817 5.829 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.039 -5.660 7.607 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.826 -6.645 6.814 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.601 -3.900 6.218 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.248 -4.812 5.578 1.00 0.00 H new ATOM 1289 N ARG A 82 -13.716 -4.520 4.207 1.00 0.00 N ATOM 1290 CA ARG A 82 -15.086 -4.078 3.950 1.00 0.00 C ATOM 1291 C ARG A 82 -15.355 -4.034 2.415 1.00 0.00 C ATOM 1292 O ARG A 82 -16.488 -3.881 1.979 1.00 0.00 O ATOM 1293 CB ARG A 82 -15.358 -2.707 4.619 1.00 0.00 C ATOM 1294 CG ARG A 82 -14.209 -1.679 4.549 1.00 0.00 C ATOM 1295 CD ARG A 82 -13.358 -1.658 5.824 1.00 0.00 C ATOM 1296 NE ARG A 82 -14.115 -1.066 6.924 1.00 0.00 N ATOM 1297 CZ ARG A 82 -13.767 -1.241 8.216 1.00 0.00 C ATOM 1298 NH1 ARG A 82 -12.750 -2.023 8.552 1.00 0.00 N ATOM 1299 NH2 ARG A 82 -14.445 -0.618 9.170 1.00 0.00 N ATOM 0 H ARG A 82 -13.029 -3.772 4.302 1.00 0.00 H new ATOM 0 HA ARG A 82 -15.777 -4.795 4.393 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.241 -2.267 4.155 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.602 -2.879 5.667 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -13.572 -1.909 3.695 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.625 -0.686 4.378 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -13.055 -2.672 6.085 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -12.445 -1.087 5.652 1.00 0.00 H new ATOM 0 HE ARG A 82 -14.936 -0.500 6.708 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -12.216 -2.504 7.828 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -12.502 -2.143 9.534 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -15.226 -0.009 8.926 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -14.185 -0.747 10.148 1.00 0.00 H new ATOM 1313 N ILE A 83 -14.247 -4.211 1.645 1.00 0.00 N ATOM 1314 CA ILE A 83 -14.199 -4.156 0.181 1.00 0.00 C ATOM 1315 C ILE A 83 -13.057 -5.032 -0.471 1.00 0.00 C ATOM 1316 O ILE A 83 -11.837 -4.875 -0.277 1.00 0.00 O ATOM 1317 CB ILE A 83 -14.190 -2.717 -0.275 1.00 0.00 C ATOM 1318 CG1 ILE A 83 -13.202 -1.930 0.544 1.00 0.00 C ATOM 1319 CG2 ILE A 83 -15.554 -2.034 -0.144 1.00 0.00 C ATOM 1320 CD1 ILE A 83 -13.199 -0.511 -0.003 1.00 0.00 C ATOM 0 H ILE A 83 -13.333 -4.403 2.056 1.00 0.00 H new ATOM 0 HA ILE A 83 -15.109 -4.628 -0.190 1.00 0.00 H new ATOM 0 HB ILE A 83 -13.918 -2.735 -1.330 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.483 -1.936 1.597 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -12.208 -2.371 0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -15.479 -1.003 -0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -16.287 -2.566 -0.750 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -15.868 -2.046 0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -12.494 0.096 0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -12.903 -0.526 -1.052 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -14.198 -0.085 0.086 1.00 0.00 H new ATOM 1332 N THR A 84 -13.632 -5.989 -1.234 1.00 0.00 N ATOM 1333 CA THR A 84 -12.883 -6.982 -1.992 1.00 0.00 C ATOM 1334 C THR A 84 -13.116 -6.703 -3.507 1.00 0.00 C ATOM 1335 O THR A 84 -14.111 -6.094 -3.876 1.00 0.00 O ATOM 1336 CB THR A 84 -13.534 -8.361 -1.645 1.00 0.00 C ATOM 1337 OG1 THR A 84 -14.157 -8.584 -0.330 1.00 0.00 O ATOM 1338 CG2 THR A 84 -12.396 -9.402 -1.615 1.00 0.00 C ATOM 0 H THR A 84 -14.643 -6.083 -1.333 1.00 0.00 H new ATOM 0 HA THR A 84 -11.817 -6.961 -1.765 1.00 0.00 H new ATOM 0 HB THR A 84 -14.325 -8.421 -2.393 1.00 0.00 H new ATOM 0 HG1 THR A 84 -14.513 -9.496 -0.287 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.806 -10.383 -1.376 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.911 -9.440 -2.591 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.665 -9.120 -0.857 1.00 0.00 H new ATOM 1346 N PHE A 85 -12.191 -7.227 -4.354 1.00 0.00 N ATOM 1347 CA PHE A 85 -12.258 -7.067 -5.814 1.00 0.00 C ATOM 1348 C PHE A 85 -11.836 -8.385 -6.476 1.00 0.00 C ATOM 1349 O PHE A 85 -11.304 -9.251 -5.807 1.00 0.00 O ATOM 1350 CB PHE A 85 -11.343 -5.903 -6.202 1.00 0.00 C ATOM 1351 CG PHE A 85 -11.963 -4.645 -5.674 1.00 0.00 C ATOM 1352 CD1 PHE A 85 -13.111 -4.114 -6.267 1.00 0.00 C ATOM 1353 CD2 PHE A 85 -11.427 -4.019 -4.565 1.00 0.00 C ATOM 1354 CE1 PHE A 85 -13.727 -2.986 -5.732 1.00 0.00 C ATOM 1355 CE2 PHE A 85 -12.048 -2.900 -4.053 1.00 0.00 C ATOM 1356 CZ PHE A 85 -13.204 -2.384 -4.604 1.00 0.00 C ATOM 0 H PHE A 85 -11.386 -7.767 -4.037 1.00 0.00 H new ATOM 0 HA PHE A 85 -13.269 -6.839 -6.153 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -10.346 -6.044 -5.784 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.230 -5.849 -7.285 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.524 -4.583 -7.148 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.529 -4.403 -4.103 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -14.613 -2.582 -6.199 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -11.616 -2.411 -3.192 1.00 0.00 H new ATOM 0 HZ PHE A 85 -13.690 -1.527 -4.162 1.00 0.00 H new ATOM 1366 N PRO A 86 -12.045 -8.517 -7.813 1.00 0.00 N ATOM 1367 CA PRO A 86 -11.644 -9.752 -8.498 1.00 0.00 C ATOM 1368 C PRO A 86 -10.193 -9.689 -9.014 1.00 0.00 C ATOM 1369 O PRO A 86 -9.454 -10.662 -8.931 1.00 0.00 O ATOM 1370 CB PRO A 86 -12.560 -9.768 -9.760 1.00 0.00 C ATOM 1371 CG PRO A 86 -13.315 -8.427 -9.823 1.00 0.00 C ATOM 1372 CD PRO A 86 -13.004 -7.686 -8.532 1.00 0.00 C ATOM 0 HA PRO A 86 -11.724 -10.610 -7.831 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.963 -9.911 -10.661 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -13.264 -10.599 -9.708 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.998 -7.845 -10.689 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -14.388 -8.592 -9.925 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -12.588 -6.700 -8.739 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -13.908 -7.534 -7.942 1.00 0.00 H new ATOM 1380 N THR A 87 -9.798 -8.479 -9.444 1.00 0.00 N ATOM 1381 CA THR A 87 -8.443 -8.242 -9.933 1.00 0.00 C ATOM 1382 C THR A 87 -8.073 -6.872 -9.432 1.00 0.00 C ATOM 1383 O THR A 87 -8.914 -6.117 -8.955 1.00 0.00 O ATOM 1384 CB THR A 87 -8.272 -8.395 -11.460 1.00 0.00 C ATOM 1385 OG1 THR A 87 -7.111 -7.612 -11.974 1.00 0.00 O ATOM 1386 CG2 THR A 87 -9.523 -7.822 -12.133 1.00 0.00 C ATOM 0 H THR A 87 -10.401 -7.656 -9.460 1.00 0.00 H new ATOM 0 HA THR A 87 -7.768 -9.009 -9.554 1.00 0.00 H new ATOM 0 HB THR A 87 -8.114 -9.451 -11.677 1.00 0.00 H new ATOM 0 HG1 THR A 87 -7.036 -7.737 -12.943 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.430 -7.917 -13.215 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.402 -8.371 -11.795 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.629 -6.770 -11.869 1.00 0.00 H new ATOM 1394 N LEU A 88 -6.777 -6.563 -9.624 1.00 0.00 N ATOM 1395 CA LEU A 88 -6.388 -5.266 -9.145 1.00 0.00 C ATOM 1396 C LEU A 88 -6.930 -4.192 -10.095 1.00 0.00 C ATOM 1397 O LEU A 88 -6.997 -3.044 -9.709 1.00 0.00 O ATOM 1398 CB LEU A 88 -4.869 -5.079 -9.212 1.00 0.00 C ATOM 1399 CG LEU A 88 -4.043 -5.559 -8.034 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -4.495 -4.889 -6.775 1.00 0.00 C ATOM 1401 CD2 LEU A 88 -3.993 -7.015 -7.764 1.00 0.00 C ATOM 0 H LEU A 88 -6.060 -7.140 -10.064 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.764 -5.184 -8.125 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.508 -5.590 -10.104 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.668 -4.017 -9.350 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.033 -5.288 -8.341 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.893 -5.243 -5.938 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.378 -3.810 -6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.544 -5.125 -6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.365 -7.202 -6.893 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.000 -7.384 -7.571 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.577 -7.531 -8.629 1.00 0.00 H new ATOM 1413 N GLN A 89 -7.307 -4.553 -11.340 1.00 0.00 N ATOM 1414 CA GLN A 89 -7.819 -3.417 -12.154 1.00 0.00 C ATOM 1415 C GLN A 89 -9.152 -2.906 -11.591 1.00 0.00 C ATOM 1416 O GLN A 89 -9.392 -1.711 -11.560 1.00 0.00 O ATOM 1417 CB GLN A 89 -7.900 -3.627 -13.686 1.00 0.00 C ATOM 1418 CG GLN A 89 -8.298 -5.040 -14.090 1.00 0.00 C ATOM 1419 CD GLN A 89 -9.706 -5.182 -14.680 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -9.901 -5.227 -15.885 1.00 0.00 O ATOM 1421 NE2 GLN A 89 -10.667 -5.267 -13.748 1.00 0.00 N ATOM 0 H GLN A 89 -7.280 -5.480 -11.764 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.044 -2.657 -12.052 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.620 -2.923 -14.103 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.932 -3.391 -14.128 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.577 -5.408 -14.820 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.222 -5.685 -13.215 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.423 -5.221 -12.759 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.641 -5.378 -14.029 1.00 0.00 H new ATOM 1430 N ALA A 90 -9.981 -3.870 -11.126 1.00 0.00 N ATOM 1431 CA ALA A 90 -11.285 -3.493 -10.589 1.00 0.00 C ATOM 1432 C ALA A 90 -11.154 -2.872 -9.190 1.00 0.00 C ATOM 1433 O ALA A 90 -12.043 -2.186 -8.701 1.00 0.00 O ATOM 1434 CB ALA A 90 -12.154 -4.764 -10.473 1.00 0.00 C ATOM 0 H ALA A 90 -9.773 -4.869 -11.115 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.735 -2.760 -11.258 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -13.133 -4.500 -10.073 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.274 -5.214 -11.459 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.669 -5.476 -9.806 1.00 0.00 H new ATOM 1440 N LEU A 91 -9.997 -3.157 -8.579 1.00 0.00 N ATOM 1441 CA LEU A 91 -9.689 -2.614 -7.271 1.00 0.00 C ATOM 1442 C LEU A 91 -9.302 -1.149 -7.411 1.00 0.00 C ATOM 1443 O LEU A 91 -9.874 -0.268 -6.785 1.00 0.00 O ATOM 1444 CB LEU A 91 -8.621 -3.520 -6.647 1.00 0.00 C ATOM 1445 CG LEU A 91 -7.631 -2.854 -5.675 1.00 0.00 C ATOM 1446 CD1 LEU A 91 -7.187 -3.747 -4.502 1.00 0.00 C ATOM 1447 CD2 LEU A 91 -6.423 -2.310 -6.440 1.00 0.00 C ATOM 0 H LEU A 91 -9.272 -3.756 -8.973 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.542 -2.611 -6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.127 -4.327 -6.117 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.049 -3.978 -7.454 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.175 -2.031 -5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.491 -3.197 -3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.059 -4.037 -3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.697 -4.640 -4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.730 -1.841 -5.741 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.920 -3.128 -6.955 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.757 -1.572 -7.170 1.00 0.00 H new ATOM 1459 N VAL A 92 -8.405 -0.953 -8.389 1.00 0.00 N ATOM 1460 CA VAL A 92 -7.819 0.345 -8.640 1.00 0.00 C ATOM 1461 C VAL A 92 -8.887 1.293 -9.263 1.00 0.00 C ATOM 1462 O VAL A 92 -8.898 2.481 -8.988 1.00 0.00 O ATOM 1463 CB VAL A 92 -6.572 0.074 -9.537 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -5.807 1.320 -9.895 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -5.402 -0.715 -8.911 1.00 0.00 C ATOM 0 H VAL A 92 -8.077 -1.689 -9.014 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.492 0.865 -7.740 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.078 -0.458 -10.343 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.954 1.056 -10.520 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.458 2.003 -10.440 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.454 1.805 -8.985 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.605 -0.829 -9.646 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.021 -0.175 -8.044 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.752 -1.699 -8.600 1.00 0.00 H new ATOM 1475 N GLN A 93 -9.769 0.698 -10.099 1.00 0.00 N ATOM 1476 CA GLN A 93 -10.872 1.394 -10.767 1.00 0.00 C ATOM 1477 C GLN A 93 -11.873 1.944 -9.739 1.00 0.00 C ATOM 1478 O GLN A 93 -12.344 3.073 -9.811 1.00 0.00 O ATOM 1479 CB GLN A 93 -11.641 0.547 -11.808 1.00 0.00 C ATOM 1480 CG GLN A 93 -12.867 -0.242 -11.307 1.00 0.00 C ATOM 1481 CD GLN A 93 -13.585 -0.895 -12.488 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -13.528 -2.096 -12.712 1.00 0.00 O ATOM 1483 NE2 GLN A 93 -14.266 -0.002 -13.222 1.00 0.00 N ATOM 0 H GLN A 93 -9.726 -0.295 -10.326 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.390 2.203 -11.317 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.970 1.211 -12.607 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.941 -0.162 -12.251 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -12.553 -1.005 -10.595 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -13.549 0.425 -10.780 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -14.258 0.984 -12.961 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -14.791 -0.309 -14.041 1.00 0.00 H new ATOM 1492 N HIS A 94 -12.112 1.098 -8.710 1.00 0.00 N ATOM 1493 CA HIS A 94 -13.111 1.485 -7.712 1.00 0.00 C ATOM 1494 C HIS A 94 -12.532 2.650 -6.906 1.00 0.00 C ATOM 1495 O HIS A 94 -13.169 3.682 -6.727 1.00 0.00 O ATOM 1496 CB HIS A 94 -13.442 0.277 -6.822 1.00 0.00 C ATOM 1497 CG HIS A 94 -14.714 0.508 -6.034 1.00 0.00 C ATOM 1498 ND1 HIS A 94 -14.757 0.766 -4.709 1.00 0.00 N ATOM 1499 CD2 HIS A 94 -16.032 0.501 -6.520 1.00 0.00 C ATOM 1500 CE1 HIS A 94 -16.058 0.915 -4.402 1.00 0.00 C ATOM 1501 NE2 HIS A 94 -16.850 0.762 -5.476 1.00 0.00 N ATOM 0 H HIS A 94 -11.654 0.199 -8.560 1.00 0.00 H new ATOM 0 HA HIS A 94 -14.043 1.804 -8.180 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -13.551 -0.614 -7.440 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -12.616 0.090 -6.136 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -16.336 0.320 -7.540 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -16.423 1.132 -3.409 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -17.868 0.829 -5.499 1.00 0.00 H new ATOM 1509 N TYR A 95 -11.233 2.463 -6.578 1.00 0.00 N ATOM 1510 CA TYR A 95 -10.495 3.511 -5.877 1.00 0.00 C ATOM 1511 C TYR A 95 -10.215 4.705 -6.815 1.00 0.00 C ATOM 1512 O TYR A 95 -9.774 5.754 -6.360 1.00 0.00 O ATOM 1513 CB TYR A 95 -9.188 3.029 -5.236 1.00 0.00 C ATOM 1514 CG TYR A 95 -9.476 2.089 -4.116 1.00 0.00 C ATOM 1515 CD1 TYR A 95 -10.215 2.497 -3.018 1.00 0.00 C ATOM 1516 CD2 TYR A 95 -9.041 0.787 -4.193 1.00 0.00 C ATOM 1517 CE1 TYR A 95 -10.556 1.592 -2.051 1.00 0.00 C ATOM 1518 CE2 TYR A 95 -9.365 -0.146 -3.235 1.00 0.00 C ATOM 1519 CZ TYR A 95 -10.151 0.280 -2.140 1.00 0.00 C ATOM 1520 OH TYR A 95 -10.631 -0.450 -1.076 1.00 0.00 O ATOM 0 H TYR A 95 -10.697 1.620 -6.784 1.00 0.00 H new ATOM 0 HA TYR A 95 -11.141 3.827 -5.058 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -8.569 2.534 -5.984 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -8.620 3.883 -4.866 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.522 3.528 -2.926 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -8.427 0.488 -5.030 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -11.150 1.911 -1.207 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -9.030 -1.169 -3.317 1.00 0.00 H new ATOM 0 HH TYR A 95 -10.334 -1.380 -1.157 1.00 0.00 H new ATOM 1530 N SER A 96 -10.468 4.487 -8.138 1.00 0.00 N ATOM 1531 CA SER A 96 -10.280 5.591 -9.084 1.00 0.00 C ATOM 1532 C SER A 96 -11.494 6.537 -9.053 1.00 0.00 C ATOM 1533 O SER A 96 -11.474 7.530 -9.772 1.00 0.00 O ATOM 1534 CB SER A 96 -10.008 5.173 -10.572 1.00 0.00 C ATOM 1535 OG SER A 96 -8.574 4.728 -10.700 1.00 0.00 O ATOM 0 H SER A 96 -10.784 3.605 -8.542 1.00 0.00 H new ATOM 0 HA SER A 96 -9.372 6.085 -8.739 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.680 4.367 -10.866 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.204 6.011 -11.241 1.00 0.00 H new ATOM 0 HG SER A 96 -8.429 3.930 -10.150 1.00 0.00 H new ATOM 1541 N LYS A 97 -12.548 6.224 -8.251 1.00 0.00 N ATOM 1542 CA LYS A 97 -13.675 7.184 -8.215 1.00 0.00 C ATOM 1543 C LYS A 97 -13.785 7.971 -6.905 1.00 0.00 C ATOM 1544 O LYS A 97 -14.284 9.083 -6.897 1.00 0.00 O ATOM 1545 CB LYS A 97 -15.019 6.451 -8.417 1.00 0.00 C ATOM 1546 CG LYS A 97 -15.354 6.250 -9.891 1.00 0.00 C ATOM 1547 CD LYS A 97 -14.442 5.224 -10.563 1.00 0.00 C ATOM 1548 CE LYS A 97 -15.209 4.051 -11.196 1.00 0.00 C ATOM 1549 NZ LYS A 97 -15.526 3.003 -10.225 1.00 0.00 N ATOM 0 H LYS A 97 -12.639 5.391 -7.670 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.466 7.886 -9.022 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.980 5.481 -7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.816 7.021 -7.940 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -16.391 5.926 -9.984 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.270 7.203 -10.413 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -13.852 5.721 -11.333 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -13.740 4.834 -9.826 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -16.132 4.422 -11.641 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -14.614 3.626 -12.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -16.370 2.483 -10.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.723 2.346 -10.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.710 3.434 -9.297 1.00 0.00 H new ATOM 1563 N LYS A 98 -13.253 7.375 -5.838 1.00 0.00 N ATOM 1564 CA LYS A 98 -13.295 8.103 -4.579 1.00 0.00 C ATOM 1565 C LYS A 98 -12.144 7.595 -3.721 1.00 0.00 C ATOM 1566 O LYS A 98 -11.292 6.841 -4.171 1.00 0.00 O ATOM 1567 CB LYS A 98 -14.690 8.052 -3.947 1.00 0.00 C ATOM 1568 CG LYS A 98 -14.985 6.773 -3.188 1.00 0.00 C ATOM 1569 CD LYS A 98 -14.942 5.505 -4.048 1.00 0.00 C ATOM 1570 CE LYS A 98 -13.588 4.779 -4.017 1.00 0.00 C ATOM 1571 NZ LYS A 98 -13.713 3.334 -3.973 1.00 0.00 N ATOM 0 H LYS A 98 -12.817 6.453 -5.817 1.00 0.00 H new ATOM 0 HA LYS A 98 -13.140 9.173 -4.715 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.799 8.897 -3.268 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.436 8.175 -4.732 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -14.265 6.672 -2.376 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.971 6.855 -2.731 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -15.719 4.820 -3.708 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.179 5.768 -5.079 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -13.012 5.060 -4.899 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -13.023 5.115 -3.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.785 2.911 -3.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -14.388 3.066 -3.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -14.055 2.987 -4.892 1.00 0.00 H new ATOM 1585 N GLY A 99 -12.196 7.997 -2.451 1.00 0.00 N ATOM 1586 CA GLY A 99 -11.160 7.610 -1.507 1.00 0.00 C ATOM 1587 C GLY A 99 -11.874 6.926 -0.367 1.00 0.00 C ATOM 1588 O GLY A 99 -11.990 7.406 0.753 1.00 0.00 O ATOM 0 H GLY A 99 -12.935 8.582 -2.061 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -10.437 6.940 -1.973 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -10.607 8.481 -1.155 1.00 0.00 H new ATOM 1592 N ASP A 100 -12.351 5.745 -0.796 1.00 0.00 N ATOM 1593 CA ASP A 100 -13.149 4.892 0.098 1.00 0.00 C ATOM 1594 C ASP A 100 -12.317 4.200 1.173 1.00 0.00 C ATOM 1595 O ASP A 100 -12.617 4.188 2.357 1.00 0.00 O ATOM 1596 CB ASP A 100 -13.968 3.828 -0.672 1.00 0.00 C ATOM 1597 CG ASP A 100 -15.155 3.281 0.163 1.00 0.00 C ATOM 1598 OD1 ASP A 100 -14.938 2.773 1.264 1.00 0.00 O ATOM 1599 OD2 ASP A 100 -16.290 3.368 -0.304 1.00 0.00 O ATOM 0 H ASP A 100 -12.203 5.367 -1.732 1.00 0.00 H new ATOM 0 HA ASP A 100 -13.835 5.581 0.590 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -14.347 4.264 -1.596 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -13.314 3.003 -0.953 1.00 0.00 H new ATOM 1604 N GLY A 101 -11.222 3.696 0.626 1.00 0.00 N ATOM 1605 CA GLY A 101 -10.231 2.953 1.390 1.00 0.00 C ATOM 1606 C GLY A 101 -8.960 3.767 1.584 1.00 0.00 C ATOM 1607 O GLY A 101 -8.446 3.902 2.697 1.00 0.00 O ATOM 0 H GLY A 101 -10.994 3.791 -0.364 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.645 2.683 2.362 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.994 2.022 0.875 1.00 0.00 H new ATOM 1611 N LEU A 102 -8.505 4.348 0.461 1.00 0.00 N ATOM 1612 CA LEU A 102 -7.321 5.195 0.505 1.00 0.00 C ATOM 1613 C LEU A 102 -7.781 6.626 0.762 1.00 0.00 C ATOM 1614 O LEU A 102 -8.835 7.067 0.326 1.00 0.00 O ATOM 1615 CB LEU A 102 -6.460 5.045 -0.757 1.00 0.00 C ATOM 1616 CG LEU A 102 -6.462 3.629 -1.351 1.00 0.00 C ATOM 1617 CD1 LEU A 102 -5.548 3.569 -2.571 1.00 0.00 C ATOM 1618 CD2 LEU A 102 -6.136 2.487 -0.349 1.00 0.00 C ATOM 0 H LEU A 102 -8.931 4.246 -0.460 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.663 4.887 1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.816 5.745 -1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.434 5.327 -0.520 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.494 3.441 -1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.558 2.560 -2.984 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.901 4.273 -3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.532 3.831 -2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.163 1.529 -0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.143 2.644 0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.873 2.486 0.454 1.00 0.00 H new ATOM 1630 N CYS A 103 -6.897 7.311 1.501 1.00 0.00 N ATOM 1631 CA CYS A 103 -7.171 8.697 1.887 1.00 0.00 C ATOM 1632 C CYS A 103 -7.028 9.681 0.711 1.00 0.00 C ATOM 1633 O CYS A 103 -7.420 10.835 0.803 1.00 0.00 O ATOM 1634 CB CYS A 103 -6.266 9.129 3.046 1.00 0.00 C ATOM 1635 SG CYS A 103 -4.629 9.717 2.535 1.00 0.00 S ATOM 0 H CYS A 103 -6.009 6.938 1.835 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.211 8.727 2.211 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -6.765 9.920 3.606 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.141 8.287 3.727 1.00 0.00 H new ATOM 0 HG CYS A 103 -4.363 9.278 1.341 1.00 0.00 H new ATOM 1641 N GLN A 104 -6.429 9.159 -0.376 1.00 0.00 N ATOM 1642 CA GLN A 104 -6.246 9.929 -1.579 1.00 0.00 C ATOM 1643 C GLN A 104 -6.417 8.893 -2.663 1.00 0.00 C ATOM 1644 O GLN A 104 -5.663 7.941 -2.827 1.00 0.00 O ATOM 1645 CB GLN A 104 -4.799 10.460 -1.600 1.00 0.00 C ATOM 1646 CG GLN A 104 -4.578 11.727 -0.755 1.00 0.00 C ATOM 1647 CD GLN A 104 -4.732 13.012 -1.578 1.00 0.00 C ATOM 1648 OE1 GLN A 104 -5.196 13.016 -2.711 1.00 0.00 O ATOM 1649 NE2 GLN A 104 -4.265 14.096 -0.942 1.00 0.00 N ATOM 0 H GLN A 104 -6.070 8.206 -0.427 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.922 10.778 -1.679 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.132 9.677 -1.241 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -4.517 10.671 -2.631 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -5.290 11.739 0.070 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.581 11.698 -0.315 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -3.893 14.012 0.004 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.282 15.005 -1.404 1.00 0.00 H new ATOM 1658 N LYS A 105 -7.474 9.216 -3.395 1.00 0.00 N ATOM 1659 CA LYS A 105 -7.931 8.468 -4.514 1.00 0.00 C ATOM 1660 C LYS A 105 -6.949 8.631 -5.687 1.00 0.00 C ATOM 1661 O LYS A 105 -6.100 9.511 -5.711 1.00 0.00 O ATOM 1662 CB LYS A 105 -9.397 8.782 -4.716 1.00 0.00 C ATOM 1663 CG LYS A 105 -9.840 10.104 -5.335 1.00 0.00 C ATOM 1664 CD LYS A 105 -9.610 10.137 -6.824 1.00 0.00 C ATOM 1665 CE LYS A 105 -10.530 9.145 -7.504 1.00 0.00 C ATOM 1666 NZ LYS A 105 -11.377 9.830 -8.474 1.00 0.00 N ATOM 0 H LYS A 105 -8.044 10.040 -3.203 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.919 7.387 -4.374 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.812 7.986 -5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -9.876 8.710 -3.740 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -10.898 10.264 -5.128 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -9.296 10.924 -4.866 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -9.794 11.140 -7.208 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.571 9.896 -7.047 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -9.942 8.375 -8.003 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -11.149 8.642 -6.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.652 9.166 -9.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -12.230 10.187 -7.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -10.854 10.627 -8.890 1.00 0.00 H new ATOM 1680 N LEU A 106 -7.154 7.729 -6.649 1.00 0.00 N ATOM 1681 CA LEU A 106 -6.343 7.659 -7.862 1.00 0.00 C ATOM 1682 C LEU A 106 -6.740 8.673 -8.920 1.00 0.00 C ATOM 1683 O LEU A 106 -7.902 8.844 -9.267 1.00 0.00 O ATOM 1684 CB LEU A 106 -6.494 6.308 -8.535 1.00 0.00 C ATOM 1685 CG LEU A 106 -5.907 5.212 -7.673 1.00 0.00 C ATOM 1686 CD1 LEU A 106 -6.614 3.874 -7.764 1.00 0.00 C ATOM 1687 CD2 LEU A 106 -4.463 5.082 -8.069 1.00 0.00 C ATOM 0 H LEU A 106 -7.891 7.025 -6.607 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.327 7.853 -7.518 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.549 6.105 -8.722 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.996 6.321 -9.504 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.031 5.498 -6.629 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.119 3.156 -7.110 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.653 3.990 -7.455 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.579 3.513 -8.792 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -3.991 4.300 -7.473 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.397 4.823 -9.126 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -3.951 6.029 -7.896 1.00 0.00 H new ATOM 1699 N THR A 107 -5.648 9.281 -9.422 1.00 0.00 N ATOM 1700 CA THR A 107 -5.761 10.294 -10.462 1.00 0.00 C ATOM 1701 C THR A 107 -5.099 9.848 -11.772 1.00 0.00 C ATOM 1702 O THR A 107 -5.787 9.546 -12.738 1.00 0.00 O ATOM 1703 CB THR A 107 -5.126 11.626 -10.009 1.00 0.00 C ATOM 1704 OG1 THR A 107 -3.669 11.816 -9.994 1.00 0.00 O ATOM 1705 CG2 THR A 107 -5.655 11.938 -8.599 1.00 0.00 C ATOM 0 H THR A 107 -4.693 9.084 -9.122 1.00 0.00 H new ATOM 0 HA THR A 107 -6.827 10.437 -10.640 1.00 0.00 H new ATOM 0 HB THR A 107 -5.426 12.299 -10.812 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.429 12.451 -9.287 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.224 12.876 -8.248 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.741 12.026 -8.629 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.375 11.133 -7.919 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.737 9.832 -11.729 1.00 0.00 N ATOM 1714 CA LEU A 108 -2.929 9.482 -12.903 1.00 0.00 C ATOM 1715 C LEU A 108 -1.739 8.649 -12.447 1.00 0.00 C ATOM 1716 O LEU A 108 -1.053 9.046 -11.516 1.00 0.00 O ATOM 1717 CB LEU A 108 -2.407 10.682 -13.742 1.00 0.00 C ATOM 1718 CG LEU A 108 -3.545 11.423 -14.461 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -3.644 12.914 -14.109 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -3.414 11.199 -15.973 1.00 0.00 C ATOM 0 H LEU A 108 -3.192 10.057 -10.896 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.599 8.934 -13.565 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.878 11.377 -13.090 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.687 10.324 -14.477 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.484 11.000 -14.105 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.472 13.363 -14.658 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.816 13.024 -13.038 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.714 13.414 -14.380 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.219 11.722 -16.489 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.453 11.583 -16.316 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.477 10.133 -16.190 1.00 0.00 H new ATOM 1732 N PRO A 109 -1.497 7.487 -13.125 1.00 0.00 N ATOM 1733 CA PRO A 109 -0.356 6.622 -12.814 1.00 0.00 C ATOM 1734 C PRO A 109 0.985 7.397 -12.974 1.00 0.00 C ATOM 1735 O PRO A 109 1.007 8.542 -13.413 1.00 0.00 O ATOM 1736 CB PRO A 109 -0.451 5.435 -13.786 1.00 0.00 C ATOM 1737 CG PRO A 109 -1.757 5.598 -14.569 1.00 0.00 C ATOM 1738 CD PRO A 109 -2.336 6.969 -14.201 1.00 0.00 C ATOM 0 HA PRO A 109 -0.379 6.277 -11.780 1.00 0.00 H new ATOM 0 HB2 PRO A 109 0.404 5.421 -14.462 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -0.443 4.490 -13.242 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.574 5.533 -15.641 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -2.459 4.803 -14.317 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.326 7.640 -15.060 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.373 6.880 -13.878 1.00 0.00 H new ATOM 1746 N CYS A 110 2.106 6.706 -12.676 1.00 0.00 N ATOM 1747 CA CYS A 110 3.403 7.386 -12.775 1.00 0.00 C ATOM 1748 C CYS A 110 3.771 7.688 -14.250 1.00 0.00 C ATOM 1749 O CYS A 110 3.217 7.137 -15.195 1.00 0.00 O ATOM 1750 CB CYS A 110 4.495 6.521 -12.107 1.00 0.00 C ATOM 1751 SG CYS A 110 5.788 7.471 -11.270 1.00 0.00 S ATOM 0 H CYS A 110 2.138 5.730 -12.381 1.00 0.00 H new ATOM 0 HA CYS A 110 3.333 8.341 -12.254 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.023 5.856 -11.384 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.957 5.890 -12.866 1.00 0.00 H new ATOM 0 HG CYS A 110 5.804 8.685 -11.735 1.00 0.00 H new