USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 688 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HD1:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.357 K(o=-0.36,f=-1.8!) USER MOD Single : A 44 SER OG : rot -160:sc= -1.11 USER MOD Single : A 55 SER OG : rot -100:sc= 1.18 USER MOD Single : A 66 SER OG : rot 180:sc= -0.0608 USER MOD Single : A 68 ASN : amide:sc= -0.348 K(o=-0.35,f=-2.6!) USER MOD Single : A 71 ASN : amide:sc= -0.368 K(o=-0.37,f=-3.2!) USER MOD Single : A 74 ASN : amide:sc= -0.364 X(o=-0.36,f=-0.041) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.953 USER MOD Single : A 77 HIS : no HD1:sc= -3.34! C(o=-3.3!,f=-3.8!) USER MOD Single : A 79 GLN : amide:sc= -0.186 K(o=-0.19,f=-1.9!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0.00576 USER MOD Single : A 92 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 96 GLN :FLIP amide:sc= -3.68! C(o=-5!,f=-3.7!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot -30:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 164 N GLU A 15 -6.828 9.782 -9.003 1.00 0.00 N ATOM 165 CA GLU A 15 -7.031 8.467 -9.586 1.00 0.00 C ATOM 166 C GLU A 15 -5.946 7.501 -9.108 1.00 0.00 C ATOM 167 O GLU A 15 -4.976 7.915 -8.474 1.00 0.00 O ATOM 168 CB GLU A 15 -7.062 8.543 -11.114 1.00 0.00 C ATOM 169 CG GLU A 15 -8.494 8.424 -11.640 1.00 0.00 C ATOM 170 CD GLU A 15 -8.598 7.329 -12.704 1.00 0.00 C ATOM 171 OE1 GLU A 15 -7.900 7.469 -13.732 1.00 0.00 O ATOM 172 OE2 GLU A 15 -9.372 6.378 -12.466 1.00 0.00 O ATOM 0 HA GLU A 15 -7.998 8.090 -9.254 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.627 9.486 -11.444 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.449 7.745 -11.534 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.171 8.200 -10.815 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.811 9.378 -12.062 1.00 0.00 H new ATOM 179 N PRO A 16 -6.150 6.197 -9.438 1.00 0.00 N ATOM 180 CA PRO A 16 -5.200 5.169 -9.048 1.00 0.00 C ATOM 181 C PRO A 16 -3.942 5.227 -9.917 1.00 0.00 C ATOM 182 O PRO A 16 -4.031 5.255 -11.144 1.00 0.00 O ATOM 183 CB PRO A 16 -5.959 3.859 -9.189 1.00 0.00 C ATOM 184 CG PRO A 16 -7.146 4.160 -10.090 1.00 0.00 C ATOM 185 CD PRO A 16 -7.287 5.670 -10.187 1.00 0.00 C ATOM 0 HA PRO A 16 -4.837 5.296 -8.028 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.326 3.085 -9.623 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.289 3.492 -8.217 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.994 3.727 -11.079 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.055 3.717 -9.684 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.267 6.004 -11.224 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.232 6.008 -9.762 1.00 0.00 H new ATOM 193 N ARG A 17 -2.799 5.245 -9.247 1.00 0.00 N ATOM 194 CA ARG A 17 -1.525 5.299 -9.943 1.00 0.00 C ATOM 195 C ARG A 17 -0.747 3.999 -9.729 1.00 0.00 C ATOM 196 O ARG A 17 -0.612 3.531 -8.600 1.00 0.00 O ATOM 197 CB ARG A 17 -0.680 6.477 -9.453 1.00 0.00 C ATOM 198 CG ARG A 17 -0.231 6.265 -8.006 1.00 0.00 C ATOM 199 CD ARG A 17 -0.440 7.532 -7.175 1.00 0.00 C ATOM 200 NE ARG A 17 0.263 8.672 -7.804 1.00 0.00 N ATOM 201 CZ ARG A 17 -0.335 9.590 -8.576 1.00 0.00 C ATOM 202 NH1 ARG A 17 -1.650 9.508 -8.819 1.00 0.00 N ATOM 203 NH2 ARG A 17 0.383 10.590 -9.106 1.00 0.00 N ATOM 0 H ARG A 17 -2.729 5.223 -8.230 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.733 5.431 -11.005 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.193 6.595 -10.095 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.257 7.399 -9.527 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.791 5.440 -7.565 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.822 5.982 -7.986 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.505 7.751 -7.093 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.067 7.378 -6.162 1.00 0.00 H new ATOM 0 HE ARG A 17 1.265 8.765 -7.640 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.197 8.747 -8.416 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.105 10.207 -9.407 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.384 10.652 -8.922 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.072 11.289 -9.694 1.00 0.00 H new ATOM 217 N LYS A 18 -0.256 3.453 -10.832 1.00 0.00 N ATOM 218 CA LYS A 18 0.504 2.215 -10.779 1.00 0.00 C ATOM 219 C LYS A 18 1.917 2.511 -10.270 1.00 0.00 C ATOM 220 O LYS A 18 2.725 3.106 -10.981 1.00 0.00 O ATOM 221 CB LYS A 18 0.475 1.511 -12.137 1.00 0.00 C ATOM 222 CG LYS A 18 1.737 0.672 -12.346 1.00 0.00 C ATOM 223 CD LYS A 18 1.734 0.012 -13.727 1.00 0.00 C ATOM 224 CE LYS A 18 0.654 -1.069 -13.815 1.00 0.00 C ATOM 225 NZ LYS A 18 -0.193 -0.858 -15.011 1.00 0.00 N ATOM 0 H LYS A 18 -0.369 3.845 -11.767 1.00 0.00 H new ATOM 0 HA LYS A 18 0.050 1.518 -10.074 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.406 0.872 -12.201 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.390 2.251 -12.933 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.619 1.304 -12.243 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.801 -0.094 -11.573 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.562 0.767 -14.494 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.711 -0.428 -13.926 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.119 -2.054 -13.860 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.037 -1.049 -12.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.921 -1.600 -15.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.651 0.074 -14.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.397 -0.900 -15.866 1.00 0.00 H new ATOM 239 N ILE A 19 2.171 2.082 -9.043 1.00 0.00 N ATOM 240 CA ILE A 19 3.471 2.293 -8.430 1.00 0.00 C ATOM 241 C ILE A 19 4.219 0.960 -8.359 1.00 0.00 C ATOM 242 O ILE A 19 3.689 -0.027 -7.853 1.00 0.00 O ATOM 243 CB ILE A 19 3.319 2.986 -7.075 1.00 0.00 C ATOM 244 CG1 ILE A 19 2.530 4.290 -7.211 1.00 0.00 C ATOM 245 CG2 ILE A 19 4.682 3.206 -6.416 1.00 0.00 C ATOM 246 CD1 ILE A 19 1.472 4.408 -6.112 1.00 0.00 C ATOM 0 H ILE A 19 1.498 1.589 -8.456 1.00 0.00 H new ATOM 0 HA ILE A 19 4.075 2.966 -9.039 1.00 0.00 H new ATOM 0 HB ILE A 19 2.746 2.331 -6.419 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.212 5.139 -7.157 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.050 4.328 -8.189 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.546 3.700 -5.454 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.172 2.244 -6.264 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.301 3.830 -7.060 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.926 5.344 -6.232 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.778 3.571 -6.184 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.958 4.394 -5.136 1.00 0.00 H new ATOM 258 N ILE A 20 5.440 0.975 -8.874 1.00 0.00 N ATOM 259 CA ILE A 20 6.266 -0.220 -8.876 1.00 0.00 C ATOM 260 C ILE A 20 7.450 -0.017 -7.928 1.00 0.00 C ATOM 261 O ILE A 20 8.362 0.753 -8.225 1.00 0.00 O ATOM 262 CB ILE A 20 6.676 -0.587 -10.303 1.00 0.00 C ATOM 263 CG1 ILE A 20 5.544 -1.316 -11.029 1.00 0.00 C ATOM 264 CG2 ILE A 20 7.976 -1.394 -10.310 1.00 0.00 C ATOM 265 CD1 ILE A 20 5.269 -0.682 -12.394 1.00 0.00 C ATOM 0 H ILE A 20 5.877 1.796 -9.293 1.00 0.00 H new ATOM 0 HA ILE A 20 5.701 -1.074 -8.503 1.00 0.00 H new ATOM 0 HB ILE A 20 6.867 0.336 -10.851 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.807 -2.366 -11.158 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.639 -1.286 -10.422 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.245 -1.642 -11.337 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.773 -0.803 -9.859 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.837 -2.312 -9.740 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.460 -1.220 -12.889 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.983 0.361 -12.260 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.168 -0.735 -13.008 1.00 0.00 H new ATOM 277 N LEU A 21 7.398 -0.722 -6.808 1.00 0.00 N ATOM 278 CA LEU A 21 8.455 -0.629 -5.815 1.00 0.00 C ATOM 279 C LEU A 21 9.319 -1.891 -5.876 1.00 0.00 C ATOM 280 O LEU A 21 8.812 -2.983 -6.130 1.00 0.00 O ATOM 281 CB LEU A 21 7.867 -0.353 -4.430 1.00 0.00 C ATOM 282 CG LEU A 21 6.906 0.834 -4.335 1.00 0.00 C ATOM 283 CD1 LEU A 21 6.134 0.809 -3.014 1.00 0.00 C ATOM 284 CD2 LEU A 21 7.646 2.157 -4.541 1.00 0.00 C ATOM 0 H LEU A 21 6.640 -1.360 -6.566 1.00 0.00 H new ATOM 0 HA LEU A 21 9.108 0.216 -6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.342 -1.248 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.689 -0.186 -3.734 1.00 0.00 H new ATOM 0 HG LEU A 21 6.174 0.746 -5.138 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.458 1.663 -2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.558 -0.114 -2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.836 0.860 -2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.940 2.984 -4.469 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.414 2.267 -3.775 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.112 2.163 -5.526 1.00 0.00 H new ATOM 296 N HIS A 22 10.608 -1.699 -5.639 1.00 0.00 N ATOM 297 CA HIS A 22 11.546 -2.809 -5.663 1.00 0.00 C ATOM 298 C HIS A 22 12.022 -3.110 -4.241 1.00 0.00 C ATOM 299 O HIS A 22 12.927 -2.451 -3.732 1.00 0.00 O ATOM 300 CB HIS A 22 12.701 -2.522 -6.626 1.00 0.00 C ATOM 301 CG HIS A 22 12.314 -2.584 -8.084 1.00 0.00 C ATOM 302 ND1 HIS A 22 13.244 -2.544 -9.109 1.00 0.00 N ATOM 303 CD2 HIS A 22 11.090 -2.685 -8.678 1.00 0.00 C ATOM 304 CE1 HIS A 22 12.597 -2.617 -10.263 1.00 0.00 C ATOM 305 NE2 HIS A 22 11.263 -2.703 -9.994 1.00 0.00 N ATOM 0 H HIS A 22 11.025 -0.792 -5.429 1.00 0.00 H new ATOM 0 HA HIS A 22 11.048 -3.703 -6.039 1.00 0.00 H new ATOM 0 HB2 HIS A 22 13.104 -1.533 -6.409 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.501 -3.239 -6.442 1.00 0.00 H new ATOM 0 HD2 HIS A 22 10.141 -2.741 -8.165 1.00 0.00 H new ATOM 0 HE1 HIS A 22 13.047 -2.610 -11.245 1.00 0.00 H new ATOM 0 HE2 HIS A 22 10.520 -2.770 -10.690 1.00 0.00 H new ATOM 313 N LYS A 23 11.390 -4.107 -3.639 1.00 0.00 N ATOM 314 CA LYS A 23 11.737 -4.504 -2.285 1.00 0.00 C ATOM 315 C LYS A 23 13.254 -4.418 -2.106 1.00 0.00 C ATOM 316 O LYS A 23 14.000 -5.172 -2.729 1.00 0.00 O ATOM 317 CB LYS A 23 11.157 -5.884 -1.966 1.00 0.00 C ATOM 318 CG LYS A 23 9.768 -5.762 -1.336 1.00 0.00 C ATOM 319 CD LYS A 23 9.567 -6.815 -0.244 1.00 0.00 C ATOM 320 CE LYS A 23 9.017 -8.116 -0.832 1.00 0.00 C ATOM 321 NZ LYS A 23 9.259 -9.245 0.095 1.00 0.00 N ATOM 0 H LYS A 23 10.640 -4.652 -4.064 1.00 0.00 H new ATOM 0 HA LYS A 23 11.291 -3.821 -1.562 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.096 -6.477 -2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.824 -6.414 -1.286 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.643 -4.765 -0.913 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.004 -5.880 -2.105 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.515 -7.010 0.257 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.880 -6.434 0.512 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.948 -8.014 -1.020 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.492 -8.318 -1.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.880 -10.121 -0.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.281 -9.351 0.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.786 -9.057 1.002 1.00 0.00 H new ATOM 335 N GLY A 24 13.665 -3.493 -1.251 1.00 0.00 N ATOM 336 CA GLY A 24 15.080 -3.299 -0.982 1.00 0.00 C ATOM 337 C GLY A 24 15.675 -4.518 -0.273 1.00 0.00 C ATOM 338 O GLY A 24 16.439 -5.276 -0.870 1.00 0.00 O ATOM 0 H GLY A 24 13.043 -2.870 -0.736 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.611 -3.123 -1.917 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.218 -2.411 -0.365 1.00 0.00 H new ATOM 342 N SER A 25 15.304 -4.668 0.989 1.00 0.00 N ATOM 343 CA SER A 25 15.792 -5.782 1.785 1.00 0.00 C ATOM 344 C SER A 25 14.710 -6.857 1.900 1.00 0.00 C ATOM 345 O SER A 25 14.844 -7.940 1.332 1.00 0.00 O ATOM 346 CB SER A 25 16.226 -5.316 3.177 1.00 0.00 C ATOM 347 OG SER A 25 17.641 -5.356 3.336 1.00 0.00 O ATOM 0 H SER A 25 14.671 -4.037 1.481 1.00 0.00 H new ATOM 0 HA SER A 25 16.663 -6.204 1.284 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.871 -4.299 3.346 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.758 -5.947 3.933 1.00 0.00 H new ATOM 0 HG SER A 25 17.878 -5.050 4.236 1.00 0.00 H new ATOM 353 N THR A 26 13.662 -6.521 2.637 1.00 0.00 N ATOM 354 CA THR A 26 12.557 -7.445 2.833 1.00 0.00 C ATOM 355 C THR A 26 11.252 -6.677 3.054 1.00 0.00 C ATOM 356 O THR A 26 10.439 -7.056 3.895 1.00 0.00 O ATOM 357 CB THR A 26 12.919 -8.375 3.993 1.00 0.00 C ATOM 358 OG1 THR A 26 12.815 -7.546 5.148 1.00 0.00 O ATOM 359 CG2 THR A 26 14.389 -8.797 3.968 1.00 0.00 C ATOM 0 H THR A 26 13.554 -5.622 3.106 1.00 0.00 H new ATOM 0 HA THR A 26 12.391 -8.057 1.946 1.00 0.00 H new ATOM 0 HB THR A 26 12.286 -9.262 3.958 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.032 -8.070 5.947 1.00 0.00 H new ATOM 0 HG21 THR A 26 14.593 -9.456 4.812 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.601 -9.323 3.037 1.00 0.00 H new ATOM 0 HG23 THR A 26 15.023 -7.913 4.037 1.00 0.00 H new ATOM 367 N GLY A 27 11.093 -5.611 2.283 1.00 0.00 N ATOM 368 CA GLY A 27 9.901 -4.786 2.384 1.00 0.00 C ATOM 369 C GLY A 27 9.849 -3.757 1.253 1.00 0.00 C ATOM 370 O GLY A 27 10.835 -3.556 0.546 1.00 0.00 O ATOM 0 H GLY A 27 11.770 -5.300 1.586 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.013 -5.417 2.347 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.889 -4.275 3.347 1.00 0.00 H new ATOM 374 N LEU A 28 8.689 -3.131 1.118 1.00 0.00 N ATOM 375 CA LEU A 28 8.496 -2.127 0.086 1.00 0.00 C ATOM 376 C LEU A 28 8.911 -0.758 0.627 1.00 0.00 C ATOM 377 O LEU A 28 9.003 0.210 -0.127 1.00 0.00 O ATOM 378 CB LEU A 28 7.060 -2.170 -0.441 1.00 0.00 C ATOM 379 CG LEU A 28 6.780 -3.196 -1.541 1.00 0.00 C ATOM 380 CD1 LEU A 28 7.876 -3.169 -2.608 1.00 0.00 C ATOM 381 CD2 LEU A 28 6.588 -4.595 -0.951 1.00 0.00 C ATOM 0 H LEU A 28 7.873 -3.300 1.706 1.00 0.00 H new ATOM 0 HA LEU A 28 9.133 -2.337 -0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.393 -2.373 0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.803 -1.181 -0.820 1.00 0.00 H new ATOM 0 HG LEU A 28 5.846 -2.923 -2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.653 -3.908 -3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.921 -2.177 -3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.837 -3.403 -2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.390 -5.305 -1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.491 -4.892 -0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.745 -4.586 -0.260 1.00 0.00 H new ATOM 393 N GLY A 29 9.151 -0.720 1.930 1.00 0.00 N ATOM 394 CA GLY A 29 9.555 0.514 2.581 1.00 0.00 C ATOM 395 C GLY A 29 8.346 1.411 2.853 1.00 0.00 C ATOM 396 O GLY A 29 8.386 2.612 2.586 1.00 0.00 O ATOM 0 H GLY A 29 9.073 -1.525 2.552 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.061 0.286 3.519 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.271 1.043 1.953 1.00 0.00 H new ATOM 400 N PHE A 30 7.298 0.795 3.380 1.00 0.00 N ATOM 401 CA PHE A 30 6.080 1.523 3.691 1.00 0.00 C ATOM 402 C PHE A 30 5.088 0.635 4.445 1.00 0.00 C ATOM 403 O PHE A 30 5.043 -0.575 4.228 1.00 0.00 O ATOM 404 CB PHE A 30 5.458 1.944 2.358 1.00 0.00 C ATOM 405 CG PHE A 30 4.690 0.826 1.650 1.00 0.00 C ATOM 406 CD1 PHE A 30 3.520 0.368 2.171 1.00 0.00 C ATOM 407 CD2 PHE A 30 5.177 0.290 0.498 1.00 0.00 C ATOM 408 CE1 PHE A 30 2.807 -0.669 1.514 1.00 0.00 C ATOM 409 CE2 PHE A 30 4.464 -0.747 -0.159 1.00 0.00 C ATOM 410 CZ PHE A 30 3.294 -1.205 0.362 1.00 0.00 C ATOM 0 H PHE A 30 7.267 -0.201 3.599 1.00 0.00 H new ATOM 0 HA PHE A 30 6.310 2.382 4.322 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.782 2.781 2.532 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.247 2.303 1.698 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.133 0.794 3.085 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.106 0.653 0.084 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.878 -1.032 1.928 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.851 -1.173 -1.073 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.752 -1.994 -0.138 1.00 0.00 H new ATOM 420 N ASN A 31 4.319 1.270 5.317 1.00 0.00 N ATOM 421 CA ASN A 31 3.331 0.553 6.105 1.00 0.00 C ATOM 422 C ASN A 31 1.941 0.790 5.510 1.00 0.00 C ATOM 423 O ASN A 31 1.780 1.608 4.606 1.00 0.00 O ATOM 424 CB ASN A 31 3.316 1.048 7.553 1.00 0.00 C ATOM 425 CG ASN A 31 3.616 -0.095 8.525 1.00 0.00 C ATOM 426 OD1 ASN A 31 3.467 -1.265 8.214 1.00 0.00 O ATOM 427 ND2 ASN A 31 4.045 0.309 9.718 1.00 0.00 N ATOM 0 H ASN A 31 4.360 2.273 5.495 1.00 0.00 H new ATOM 0 HA ASN A 31 3.590 -0.506 6.089 1.00 0.00 H new ATOM 0 HB2 ASN A 31 4.054 1.840 7.678 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.342 1.480 7.783 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.271 -0.377 10.438 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.147 1.305 9.913 1.00 0.00 H new ATOM 434 N ILE A 32 0.972 0.060 6.043 1.00 0.00 N ATOM 435 CA ILE A 32 -0.399 0.180 5.576 1.00 0.00 C ATOM 436 C ILE A 32 -1.351 0.057 6.767 1.00 0.00 C ATOM 437 O ILE A 32 -0.940 -0.340 7.856 1.00 0.00 O ATOM 438 CB ILE A 32 -0.675 -0.829 4.460 1.00 0.00 C ATOM 439 CG1 ILE A 32 -0.137 -2.214 4.827 1.00 0.00 C ATOM 440 CG2 ILE A 32 -0.121 -0.334 3.123 1.00 0.00 C ATOM 441 CD1 ILE A 32 -1.125 -3.311 4.426 1.00 0.00 C ATOM 0 H ILE A 32 1.109 -0.617 6.794 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.567 1.162 5.134 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.755 -0.924 4.345 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.818 -2.380 4.329 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.050 -2.263 5.900 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.331 -1.070 2.347 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.593 0.613 2.862 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.956 -0.192 3.206 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.718 -4.285 4.698 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.071 -3.156 4.944 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.291 -3.275 3.349 1.00 0.00 H new ATOM 453 N VAL A 33 -2.606 0.404 6.519 1.00 0.00 N ATOM 454 CA VAL A 33 -3.620 0.337 7.558 1.00 0.00 C ATOM 455 C VAL A 33 -4.978 0.039 6.919 1.00 0.00 C ATOM 456 O VAL A 33 -5.101 0.017 5.696 1.00 0.00 O ATOM 457 CB VAL A 33 -3.615 1.628 8.378 1.00 0.00 C ATOM 458 CG1 VAL A 33 -2.202 2.207 8.481 1.00 0.00 C ATOM 459 CG2 VAL A 33 -4.586 2.654 7.791 1.00 0.00 C ATOM 0 H VAL A 33 -2.943 0.732 5.614 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.403 -0.474 8.253 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.952 1.386 9.386 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.227 3.124 9.069 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.547 1.483 8.965 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.825 2.426 7.482 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.563 3.563 8.393 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.292 2.889 6.768 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.595 2.243 7.793 1.00 0.00 H new ATOM 469 N GLY A 34 -5.963 -0.182 7.777 1.00 0.00 N ATOM 470 CA GLY A 34 -7.308 -0.478 7.313 1.00 0.00 C ATOM 471 C GLY A 34 -7.711 -1.909 7.674 1.00 0.00 C ATOM 472 O GLY A 34 -7.079 -2.541 8.519 1.00 0.00 O ATOM 0 H GLY A 34 -5.857 -0.162 8.791 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.013 0.225 7.757 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.362 -0.343 6.233 1.00 0.00 H new ATOM 476 N GLY A 35 -8.761 -2.378 7.016 1.00 0.00 N ATOM 477 CA GLY A 35 -9.256 -3.722 7.257 1.00 0.00 C ATOM 478 C GLY A 35 -10.476 -3.700 8.180 1.00 0.00 C ATOM 479 O GLY A 35 -10.672 -4.615 8.979 1.00 0.00 O ATOM 0 H GLY A 35 -9.283 -1.851 6.316 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.521 -4.191 6.309 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.468 -4.329 7.704 1.00 0.00 H new ATOM 483 N GLU A 36 -11.266 -2.646 8.038 1.00 0.00 N ATOM 484 CA GLU A 36 -12.462 -2.492 8.849 1.00 0.00 C ATOM 485 C GLU A 36 -13.678 -2.237 7.956 1.00 0.00 C ATOM 486 O GLU A 36 -13.709 -1.263 7.206 1.00 0.00 O ATOM 487 CB GLU A 36 -12.289 -1.370 9.874 1.00 0.00 C ATOM 488 CG GLU A 36 -11.111 -1.656 10.808 1.00 0.00 C ATOM 489 CD GLU A 36 -11.593 -2.257 12.130 1.00 0.00 C ATOM 490 OE1 GLU A 36 -11.931 -1.455 13.027 1.00 0.00 O ATOM 491 OE2 GLU A 36 -11.614 -3.504 12.213 1.00 0.00 O ATOM 0 H GLU A 36 -11.101 -1.890 7.373 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.627 -3.418 9.399 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.127 -0.423 9.358 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -13.203 -1.262 10.458 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.417 -2.343 10.324 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.564 -0.734 11.002 1.00 0.00 H new ATOM 498 N ASP A 37 -14.651 -3.130 8.067 1.00 0.00 N ATOM 499 CA ASP A 37 -15.867 -3.014 7.280 1.00 0.00 C ATOM 500 C ASP A 37 -15.502 -2.679 5.832 1.00 0.00 C ATOM 501 O ASP A 37 -16.285 -2.054 5.119 1.00 0.00 O ATOM 502 CB ASP A 37 -16.763 -1.894 7.812 1.00 0.00 C ATOM 503 CG ASP A 37 -17.744 -2.317 8.908 1.00 0.00 C ATOM 504 OD1 ASP A 37 -18.101 -3.515 8.919 1.00 0.00 O ATOM 505 OD2 ASP A 37 -18.114 -1.433 9.710 1.00 0.00 O ATOM 0 H ASP A 37 -14.622 -3.937 8.690 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.400 -3.963 7.342 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.130 -1.096 8.200 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -17.329 -1.476 6.980 1.00 0.00 H new ATOM 510 N GLY A 38 -14.311 -3.110 5.441 1.00 0.00 N ATOM 511 CA GLY A 38 -13.833 -2.864 4.091 1.00 0.00 C ATOM 512 C GLY A 38 -13.913 -1.376 3.744 1.00 0.00 C ATOM 513 O GLY A 38 -14.546 -0.998 2.759 1.00 0.00 O ATOM 0 H GLY A 38 -13.664 -3.628 6.035 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.803 -3.208 3.998 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.427 -3.439 3.381 1.00 0.00 H new ATOM 517 N GLU A 39 -13.263 -0.572 4.572 1.00 0.00 N ATOM 518 CA GLU A 39 -13.253 0.866 4.365 1.00 0.00 C ATOM 519 C GLU A 39 -12.205 1.244 3.317 1.00 0.00 C ATOM 520 O GLU A 39 -12.389 2.200 2.565 1.00 0.00 O ATOM 521 CB GLU A 39 -13.006 1.608 5.680 1.00 0.00 C ATOM 522 CG GLU A 39 -11.584 1.362 6.189 1.00 0.00 C ATOM 523 CD GLU A 39 -11.565 1.216 7.712 1.00 0.00 C ATOM 524 OE1 GLU A 39 -12.567 1.629 8.335 1.00 0.00 O ATOM 525 OE2 GLU A 39 -10.548 0.695 8.220 1.00 0.00 O ATOM 0 H GLU A 39 -12.739 -0.889 5.388 1.00 0.00 H new ATOM 0 HA GLU A 39 -14.233 1.167 3.995 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.164 2.677 5.534 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.726 1.278 6.429 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.180 0.461 5.729 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.939 2.189 5.891 1.00 0.00 H new ATOM 532 N GLY A 40 -11.126 0.474 3.301 1.00 0.00 N ATOM 533 CA GLY A 40 -10.048 0.716 2.357 1.00 0.00 C ATOM 534 C GLY A 40 -8.690 0.704 3.062 1.00 0.00 C ATOM 535 O GLY A 40 -8.599 1.018 4.248 1.00 0.00 O ATOM 0 H GLY A 40 -10.976 -0.317 3.927 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.064 -0.046 1.578 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.199 1.677 1.866 1.00 0.00 H new ATOM 539 N ILE A 41 -7.668 0.338 2.302 1.00 0.00 N ATOM 540 CA ILE A 41 -6.319 0.281 2.838 1.00 0.00 C ATOM 541 C ILE A 41 -5.609 1.608 2.563 1.00 0.00 C ATOM 542 O ILE A 41 -5.869 2.257 1.551 1.00 0.00 O ATOM 543 CB ILE A 41 -5.576 -0.940 2.291 1.00 0.00 C ATOM 544 CG1 ILE A 41 -6.369 -2.223 2.546 1.00 0.00 C ATOM 545 CG2 ILE A 41 -4.159 -1.019 2.861 1.00 0.00 C ATOM 546 CD1 ILE A 41 -6.368 -2.583 4.033 1.00 0.00 C ATOM 0 H ILE A 41 -7.747 0.078 1.319 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.344 0.151 3.920 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.483 -0.829 1.211 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.395 -2.095 2.200 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.938 -3.042 1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.652 -1.895 2.457 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.606 -0.121 2.586 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.208 -1.097 3.947 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.939 -3.499 4.186 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.342 -2.734 4.370 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.822 -1.773 4.604 1.00 0.00 H new ATOM 558 N PHE A 42 -4.725 1.971 3.481 1.00 0.00 N ATOM 559 CA PHE A 42 -3.976 3.209 3.350 1.00 0.00 C ATOM 560 C PHE A 42 -2.582 3.074 3.967 1.00 0.00 C ATOM 561 O PHE A 42 -2.389 2.310 4.912 1.00 0.00 O ATOM 562 CB PHE A 42 -4.754 4.286 4.107 1.00 0.00 C ATOM 563 CG PHE A 42 -6.146 4.565 3.538 1.00 0.00 C ATOM 564 CD1 PHE A 42 -7.147 3.661 3.715 1.00 0.00 C ATOM 565 CD2 PHE A 42 -6.383 5.716 2.853 1.00 0.00 C ATOM 566 CE1 PHE A 42 -8.439 3.920 3.186 1.00 0.00 C ATOM 567 CE2 PHE A 42 -7.675 5.974 2.324 1.00 0.00 C ATOM 568 CZ PHE A 42 -8.676 5.071 2.502 1.00 0.00 C ATOM 0 H PHE A 42 -4.511 1.429 4.318 1.00 0.00 H new ATOM 0 HA PHE A 42 -3.855 3.461 2.296 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.853 3.983 5.149 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.177 5.211 4.097 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.959 2.746 4.258 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.588 6.434 2.712 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.234 3.202 3.327 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.863 6.888 1.780 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.659 5.268 2.100 1.00 0.00 H new ATOM 578 N VAL A 43 -1.647 3.827 3.408 1.00 0.00 N ATOM 579 CA VAL A 43 -0.277 3.801 3.892 1.00 0.00 C ATOM 580 C VAL A 43 -0.210 4.484 5.259 1.00 0.00 C ATOM 581 O VAL A 43 -0.725 5.587 5.432 1.00 0.00 O ATOM 582 CB VAL A 43 0.655 4.439 2.859 1.00 0.00 C ATOM 583 CG1 VAL A 43 1.978 4.860 3.501 1.00 0.00 C ATOM 584 CG2 VAL A 43 0.894 3.495 1.679 1.00 0.00 C ATOM 0 H VAL A 43 -1.811 4.459 2.624 1.00 0.00 H new ATOM 0 HA VAL A 43 0.061 2.773 4.025 1.00 0.00 H new ATOM 0 HB VAL A 43 0.168 5.336 2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.622 5.310 2.746 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.784 5.585 4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.472 3.985 3.924 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.559 3.973 0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.350 2.572 2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.057 3.267 1.197 1.00 0.00 H new ATOM 594 N SER A 44 0.428 3.799 6.197 1.00 0.00 N ATOM 595 CA SER A 44 0.568 4.325 7.544 1.00 0.00 C ATOM 596 C SER A 44 1.902 5.063 7.681 1.00 0.00 C ATOM 597 O SER A 44 2.098 5.827 8.625 1.00 0.00 O ATOM 598 CB SER A 44 0.470 3.208 8.585 1.00 0.00 C ATOM 599 OG SER A 44 1.710 2.991 9.253 1.00 0.00 O ATOM 0 H SER A 44 0.854 2.884 6.050 1.00 0.00 H new ATOM 0 HA SER A 44 -0.248 5.025 7.724 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.297 3.461 9.317 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.154 2.285 8.098 1.00 0.00 H new ATOM 0 HG SER A 44 1.710 2.100 9.661 1.00 0.00 H new ATOM 605 N PHE A 45 2.784 4.808 6.725 1.00 0.00 N ATOM 606 CA PHE A 45 4.093 5.439 6.727 1.00 0.00 C ATOM 607 C PHE A 45 4.948 4.932 5.564 1.00 0.00 C ATOM 608 O PHE A 45 4.606 3.938 4.925 1.00 0.00 O ATOM 609 CB PHE A 45 4.770 5.059 8.046 1.00 0.00 C ATOM 610 CG PHE A 45 6.255 5.421 8.110 1.00 0.00 C ATOM 611 CD1 PHE A 45 6.632 6.715 8.293 1.00 0.00 C ATOM 612 CD2 PHE A 45 7.198 4.449 7.983 1.00 0.00 C ATOM 613 CE1 PHE A 45 8.011 7.050 8.353 1.00 0.00 C ATOM 614 CE2 PHE A 45 8.576 4.785 8.042 1.00 0.00 C ATOM 615 CZ PHE A 45 8.954 6.079 8.225 1.00 0.00 C ATOM 0 H PHE A 45 2.618 4.173 5.944 1.00 0.00 H new ATOM 0 HA PHE A 45 3.986 6.518 6.620 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.250 5.555 8.866 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.661 3.986 8.202 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.883 7.487 8.393 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.898 3.422 7.837 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.311 8.077 8.500 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.325 4.013 7.942 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.002 6.335 8.269 1.00 0.00 H new ATOM 625 N ILE A 46 6.043 5.638 5.325 1.00 0.00 N ATOM 626 CA ILE A 46 6.949 5.271 4.250 1.00 0.00 C ATOM 627 C ILE A 46 8.385 5.267 4.779 1.00 0.00 C ATOM 628 O ILE A 46 8.872 6.284 5.271 1.00 0.00 O ATOM 629 CB ILE A 46 6.742 6.184 3.040 1.00 0.00 C ATOM 630 CG1 ILE A 46 5.331 6.028 2.471 1.00 0.00 C ATOM 631 CG2 ILE A 46 7.818 5.942 1.980 1.00 0.00 C ATOM 632 CD1 ILE A 46 5.303 4.983 1.354 1.00 0.00 C ATOM 0 H ILE A 46 6.323 6.462 5.857 1.00 0.00 H new ATOM 0 HA ILE A 46 6.735 4.262 3.899 1.00 0.00 H new ATOM 0 HB ILE A 46 6.843 7.218 3.371 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.645 5.735 3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.982 6.986 2.086 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.647 6.604 1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.801 6.144 2.406 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.774 4.905 1.647 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.288 4.891 0.967 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.972 5.291 0.550 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.629 4.020 1.748 1.00 0.00 H new ATOM 644 N LEU A 47 9.023 4.112 4.658 1.00 0.00 N ATOM 645 CA LEU A 47 10.393 3.962 5.118 1.00 0.00 C ATOM 646 C LEU A 47 11.275 5.002 4.425 1.00 0.00 C ATOM 647 O LEU A 47 11.125 5.253 3.230 1.00 0.00 O ATOM 648 CB LEU A 47 10.870 2.522 4.921 1.00 0.00 C ATOM 649 CG LEU A 47 12.307 2.226 5.354 1.00 0.00 C ATOM 650 CD1 LEU A 47 13.305 2.673 4.285 1.00 0.00 C ATOM 651 CD2 LEU A 47 12.608 2.851 6.718 1.00 0.00 C ATOM 0 H LEU A 47 8.616 3.271 4.248 1.00 0.00 H new ATOM 0 HA LEU A 47 10.458 4.151 6.190 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.202 1.860 5.472 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.770 2.268 3.866 1.00 0.00 H new ATOM 0 HG LEU A 47 12.416 1.147 5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.319 2.451 4.618 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.104 2.142 3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 47 13.204 3.746 4.119 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.636 2.626 7.003 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.476 3.931 6.660 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.927 2.442 7.464 1.00 0.00 H new ATOM 663 N ALA A 48 12.177 5.580 5.205 1.00 0.00 N ATOM 664 CA ALA A 48 13.084 6.588 4.681 1.00 0.00 C ATOM 665 C ALA A 48 14.237 5.898 3.948 1.00 0.00 C ATOM 666 O ALA A 48 14.989 5.133 4.549 1.00 0.00 O ATOM 667 CB ALA A 48 13.570 7.481 5.823 1.00 0.00 C ATOM 0 H ALA A 48 12.299 5.370 6.196 1.00 0.00 H new ATOM 0 HA ALA A 48 12.573 7.228 3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.250 8.237 5.430 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.716 7.970 6.291 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.091 6.874 6.563 1.00 0.00 H new ATOM 673 N GLY A 49 14.340 6.195 2.661 1.00 0.00 N ATOM 674 CA GLY A 49 15.388 5.613 1.840 1.00 0.00 C ATOM 675 C GLY A 49 14.880 4.378 1.095 1.00 0.00 C ATOM 676 O GLY A 49 15.517 3.911 0.152 1.00 0.00 O ATOM 0 H GLY A 49 13.715 6.831 2.166 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.746 6.352 1.124 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.237 5.340 2.467 1.00 0.00 H new ATOM 680 N GLY A 50 13.736 3.883 1.546 1.00 0.00 N ATOM 681 CA GLY A 50 13.135 2.711 0.934 1.00 0.00 C ATOM 682 C GLY A 50 12.721 2.998 -0.511 1.00 0.00 C ATOM 683 O GLY A 50 12.927 4.103 -1.011 1.00 0.00 O ATOM 0 H GLY A 50 13.210 4.273 2.328 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.842 1.882 0.956 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.264 2.402 1.511 1.00 0.00 H new ATOM 687 N PRO A 51 12.128 1.958 -1.156 1.00 0.00 N ATOM 688 CA PRO A 51 11.683 2.088 -2.533 1.00 0.00 C ATOM 689 C PRO A 51 10.400 2.917 -2.619 1.00 0.00 C ATOM 690 O PRO A 51 10.171 3.614 -3.607 1.00 0.00 O ATOM 691 CB PRO A 51 11.502 0.661 -3.025 1.00 0.00 C ATOM 692 CG PRO A 51 11.402 -0.200 -1.776 1.00 0.00 C ATOM 693 CD PRO A 51 11.867 0.636 -0.595 1.00 0.00 C ATOM 0 HA PRO A 51 12.399 2.623 -3.157 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.604 0.569 -3.636 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.343 0.352 -3.646 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.376 -0.536 -1.625 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.018 -1.093 -1.878 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.105 0.680 0.183 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.764 0.215 -0.140 1.00 0.00 H new ATOM 701 N ALA A 52 9.596 2.815 -1.571 1.00 0.00 N ATOM 702 CA ALA A 52 8.342 3.547 -1.515 1.00 0.00 C ATOM 703 C ALA A 52 8.633 5.034 -1.301 1.00 0.00 C ATOM 704 O ALA A 52 7.773 5.879 -1.542 1.00 0.00 O ATOM 705 CB ALA A 52 7.458 2.961 -0.412 1.00 0.00 C ATOM 0 H ALA A 52 9.789 2.236 -0.754 1.00 0.00 H new ATOM 0 HA ALA A 52 7.798 3.450 -2.455 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.517 3.510 -0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.256 1.911 -0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.970 3.044 0.547 1.00 0.00 H new ATOM 711 N ASP A 53 9.849 5.307 -0.849 1.00 0.00 N ATOM 712 CA ASP A 53 10.264 6.677 -0.600 1.00 0.00 C ATOM 713 C ASP A 53 11.074 7.185 -1.794 1.00 0.00 C ATOM 714 O ASP A 53 10.708 8.180 -2.419 1.00 0.00 O ATOM 715 CB ASP A 53 11.150 6.766 0.644 1.00 0.00 C ATOM 716 CG ASP A 53 11.759 8.145 0.907 1.00 0.00 C ATOM 717 OD1 ASP A 53 12.529 8.600 0.034 1.00 0.00 O ATOM 718 OD2 ASP A 53 11.441 8.712 1.975 1.00 0.00 O ATOM 0 H ASP A 53 10.559 4.603 -0.649 1.00 0.00 H new ATOM 0 HA ASP A 53 9.368 7.279 -0.449 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.560 6.474 1.513 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.958 6.041 0.549 1.00 0.00 H new ATOM 723 N LEU A 54 12.159 6.479 -2.076 1.00 0.00 N ATOM 724 CA LEU A 54 13.024 6.847 -3.184 1.00 0.00 C ATOM 725 C LEU A 54 12.173 7.074 -4.436 1.00 0.00 C ATOM 726 O LEU A 54 12.297 8.105 -5.096 1.00 0.00 O ATOM 727 CB LEU A 54 14.127 5.803 -3.372 1.00 0.00 C ATOM 728 CG LEU A 54 15.162 5.712 -2.248 1.00 0.00 C ATOM 729 CD1 LEU A 54 16.349 4.843 -2.666 1.00 0.00 C ATOM 730 CD2 LEU A 54 15.603 7.105 -1.794 1.00 0.00 C ATOM 0 H LEU A 54 12.459 5.654 -1.556 1.00 0.00 H new ATOM 0 HA LEU A 54 13.537 7.785 -2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.659 4.826 -3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.650 6.019 -4.304 1.00 0.00 H new ATOM 0 HG LEU A 54 14.694 5.228 -1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 54 17.070 4.795 -1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 54 15.999 3.838 -2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 54 16.825 5.276 -3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.338 7.011 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.047 7.638 -2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 54 14.739 7.659 -1.428 1.00 0.00 H new ATOM 742 N SER A 55 11.329 6.094 -4.724 1.00 0.00 N ATOM 743 CA SER A 55 10.459 6.175 -5.885 1.00 0.00 C ATOM 744 C SER A 55 9.889 7.589 -6.015 1.00 0.00 C ATOM 745 O SER A 55 9.901 8.169 -7.100 1.00 0.00 O ATOM 746 CB SER A 55 9.324 5.152 -5.794 1.00 0.00 C ATOM 747 OG SER A 55 8.526 5.342 -4.629 1.00 0.00 O ATOM 0 H SER A 55 11.229 5.241 -4.174 1.00 0.00 H new ATOM 0 HA SER A 55 11.050 5.946 -6.772 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.695 5.229 -6.681 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.743 4.146 -5.786 1.00 0.00 H new ATOM 0 HG SER A 55 8.797 4.701 -3.939 1.00 0.00 H new ATOM 753 N GLY A 56 9.404 8.103 -4.894 1.00 0.00 N ATOM 754 CA GLY A 56 8.831 9.438 -4.870 1.00 0.00 C ATOM 755 C GLY A 56 7.319 9.390 -5.098 1.00 0.00 C ATOM 756 O GLY A 56 6.613 10.355 -4.809 1.00 0.00 O ATOM 0 H GLY A 56 9.396 7.619 -3.996 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.043 9.911 -3.911 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.299 10.052 -5.639 1.00 0.00 H new ATOM 760 N GLU A 57 6.866 8.257 -5.614 1.00 0.00 N ATOM 761 CA GLU A 57 5.451 8.071 -5.885 1.00 0.00 C ATOM 762 C GLU A 57 4.703 7.737 -4.592 1.00 0.00 C ATOM 763 O GLU A 57 3.875 8.520 -4.131 1.00 0.00 O ATOM 764 CB GLU A 57 5.233 6.985 -6.940 1.00 0.00 C ATOM 765 CG GLU A 57 5.996 7.308 -8.226 1.00 0.00 C ATOM 766 CD GLU A 57 5.587 8.676 -8.777 1.00 0.00 C ATOM 767 OE1 GLU A 57 6.228 9.668 -8.368 1.00 0.00 O ATOM 768 OE2 GLU A 57 4.643 8.698 -9.596 1.00 0.00 O ATOM 0 H GLU A 57 7.454 7.458 -5.852 1.00 0.00 H new ATOM 0 HA GLU A 57 5.051 9.004 -6.283 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.563 6.022 -6.549 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.169 6.893 -7.158 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.068 7.297 -8.030 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.801 6.538 -8.972 1.00 0.00 H new ATOM 775 N LEU A 58 5.022 6.573 -4.045 1.00 0.00 N ATOM 776 CA LEU A 58 4.391 6.127 -2.815 1.00 0.00 C ATOM 777 C LEU A 58 4.725 7.108 -1.690 1.00 0.00 C ATOM 778 O LEU A 58 5.895 7.375 -1.421 1.00 0.00 O ATOM 779 CB LEU A 58 4.782 4.680 -2.506 1.00 0.00 C ATOM 780 CG LEU A 58 3.854 3.923 -1.554 1.00 0.00 C ATOM 781 CD1 LEU A 58 2.444 4.515 -1.576 1.00 0.00 C ATOM 782 CD2 LEU A 58 3.852 2.425 -1.867 1.00 0.00 C ATOM 0 H LEU A 58 5.709 5.926 -4.431 1.00 0.00 H new ATOM 0 HA LEU A 58 3.306 6.124 -2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.833 4.130 -3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.786 4.679 -2.081 1.00 0.00 H new ATOM 0 HG LEU A 58 4.236 4.040 -0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.805 3.958 -0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.483 5.560 -1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.038 4.449 -2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.185 1.910 -1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.508 2.267 -2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.862 2.029 -1.759 1.00 0.00 H new ATOM 794 N ARG A 59 3.676 7.619 -1.062 1.00 0.00 N ATOM 795 CA ARG A 59 3.844 8.565 0.028 1.00 0.00 C ATOM 796 C ARG A 59 2.784 8.326 1.106 1.00 0.00 C ATOM 797 O ARG A 59 1.643 7.988 0.796 1.00 0.00 O ATOM 798 CB ARG A 59 3.736 10.007 -0.472 1.00 0.00 C ATOM 799 CG ARG A 59 4.806 10.303 -1.524 1.00 0.00 C ATOM 800 CD ARG A 59 5.129 11.798 -1.571 1.00 0.00 C ATOM 801 NE ARG A 59 6.518 12.001 -2.041 1.00 0.00 N ATOM 802 CZ ARG A 59 7.056 13.201 -2.298 1.00 0.00 C ATOM 803 NH1 ARG A 59 6.326 14.312 -2.131 1.00 0.00 N ATOM 804 NH2 ARG A 59 8.324 13.290 -2.721 1.00 0.00 N ATOM 0 H ARG A 59 2.707 7.396 -1.287 1.00 0.00 H new ATOM 0 HA ARG A 59 4.838 8.412 0.449 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.746 10.175 -0.897 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.844 10.696 0.366 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.710 9.739 -1.297 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.460 9.971 -2.503 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.433 12.308 -2.237 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.003 12.237 -0.581 1.00 0.00 H new ATOM 0 HE ARG A 59 7.102 11.176 -2.178 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.361 14.244 -1.808 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.735 15.225 -2.327 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.880 12.444 -2.847 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.733 14.204 -2.917 1.00 0.00 H new ATOM 818 N ARG A 60 3.200 8.509 2.351 1.00 0.00 N ATOM 819 CA ARG A 60 2.301 8.318 3.476 1.00 0.00 C ATOM 820 C ARG A 60 0.997 9.085 3.250 1.00 0.00 C ATOM 821 O ARG A 60 1.018 10.262 2.895 1.00 0.00 O ATOM 822 CB ARG A 60 2.944 8.792 4.781 1.00 0.00 C ATOM 823 CG ARG A 60 2.042 8.488 5.979 1.00 0.00 C ATOM 824 CD ARG A 60 2.318 9.454 7.133 1.00 0.00 C ATOM 825 NE ARG A 60 3.196 8.808 8.134 1.00 0.00 N ATOM 826 CZ ARG A 60 3.435 9.306 9.355 1.00 0.00 C ATOM 827 NH1 ARG A 60 2.864 10.458 9.733 1.00 0.00 N ATOM 828 NH2 ARG A 60 4.245 8.652 10.198 1.00 0.00 N ATOM 0 H ARG A 60 4.148 8.788 2.605 1.00 0.00 H new ATOM 0 HA ARG A 60 2.090 7.252 3.554 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.909 8.302 4.914 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.135 9.864 4.728 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.997 8.563 5.680 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.206 7.463 6.311 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.790 10.361 6.754 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.380 9.754 7.600 1.00 0.00 H new ATOM 0 HE ARG A 60 3.647 7.929 7.879 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.247 10.956 9.091 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.046 10.837 10.662 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.680 7.775 9.910 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.427 9.031 11.127 1.00 0.00 H new ATOM 842 N GLY A 61 -0.108 8.385 3.465 1.00 0.00 N ATOM 843 CA GLY A 61 -1.419 8.986 3.289 1.00 0.00 C ATOM 844 C GLY A 61 -2.034 8.577 1.949 1.00 0.00 C ATOM 845 O GLY A 61 -2.870 9.294 1.401 1.00 0.00 O ATOM 0 H GLY A 61 -0.122 7.408 3.759 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.076 8.680 4.103 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.335 10.072 3.338 1.00 0.00 H new ATOM 849 N ASP A 62 -1.596 7.426 1.460 1.00 0.00 N ATOM 850 CA ASP A 62 -2.093 6.913 0.195 1.00 0.00 C ATOM 851 C ASP A 62 -3.263 5.962 0.459 1.00 0.00 C ATOM 852 O ASP A 62 -3.453 5.503 1.584 1.00 0.00 O ATOM 853 CB ASP A 62 -1.007 6.132 -0.548 1.00 0.00 C ATOM 854 CG ASP A 62 -1.026 4.619 -0.317 1.00 0.00 C ATOM 855 OD1 ASP A 62 -1.424 4.220 0.799 1.00 0.00 O ATOM 856 OD2 ASP A 62 -0.642 3.897 -1.262 1.00 0.00 O ATOM 0 H ASP A 62 -0.902 6.834 1.917 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.406 7.762 -0.413 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.110 6.323 -1.616 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.033 6.518 -0.248 1.00 0.00 H new ATOM 861 N ARG A 63 -4.016 5.694 -0.598 1.00 0.00 N ATOM 862 CA ARG A 63 -5.161 4.806 -0.495 1.00 0.00 C ATOM 863 C ARG A 63 -4.926 3.539 -1.319 1.00 0.00 C ATOM 864 O ARG A 63 -5.318 3.470 -2.483 1.00 0.00 O ATOM 865 CB ARG A 63 -6.438 5.495 -0.983 1.00 0.00 C ATOM 866 CG ARG A 63 -7.656 4.588 -0.795 1.00 0.00 C ATOM 867 CD ARG A 63 -8.860 5.119 -1.576 1.00 0.00 C ATOM 868 NE ARG A 63 -9.939 4.106 -1.591 1.00 0.00 N ATOM 869 CZ ARG A 63 -11.113 4.269 -2.216 1.00 0.00 C ATOM 870 NH1 ARG A 63 -11.367 5.405 -2.880 1.00 0.00 N ATOM 871 NH2 ARG A 63 -12.034 3.297 -2.176 1.00 0.00 N ATOM 0 H ARG A 63 -3.855 6.076 -1.530 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.283 4.542 0.556 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.585 6.426 -0.435 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.334 5.757 -2.036 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.417 3.578 -1.130 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.905 4.522 0.264 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.222 6.041 -1.121 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.564 5.362 -2.596 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.779 3.229 -1.095 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.667 6.146 -2.910 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.261 5.529 -3.356 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.842 2.433 -1.670 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.928 3.421 -2.652 1.00 0.00 H new ATOM 885 N ILE A 64 -4.289 2.567 -0.683 1.00 0.00 N ATOM 886 CA ILE A 64 -3.997 1.306 -1.342 1.00 0.00 C ATOM 887 C ILE A 64 -5.282 0.749 -1.959 1.00 0.00 C ATOM 888 O ILE A 64 -6.323 0.709 -1.304 1.00 0.00 O ATOM 889 CB ILE A 64 -3.311 0.341 -0.374 1.00 0.00 C ATOM 890 CG1 ILE A 64 -1.950 0.883 0.069 1.00 0.00 C ATOM 891 CG2 ILE A 64 -3.200 -1.059 -0.981 1.00 0.00 C ATOM 892 CD1 ILE A 64 -0.916 0.749 -1.051 1.00 0.00 C ATOM 0 H ILE A 64 -3.967 2.628 0.283 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.290 1.457 -2.158 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.930 0.256 0.519 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.047 1.930 0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.608 0.341 0.951 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.708 -1.725 -0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.197 -1.439 -1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.615 -1.012 -1.900 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.042 1.141 -0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.803 -0.302 -1.319 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.249 1.312 -1.923 1.00 0.00 H new ATOM 904 N LEU A 65 -5.168 0.332 -3.211 1.00 0.00 N ATOM 905 CA LEU A 65 -6.307 -0.222 -3.923 1.00 0.00 C ATOM 906 C LEU A 65 -6.056 -1.704 -4.205 1.00 0.00 C ATOM 907 O LEU A 65 -6.918 -2.543 -3.948 1.00 0.00 O ATOM 908 CB LEU A 65 -6.606 0.601 -5.178 1.00 0.00 C ATOM 909 CG LEU A 65 -7.378 1.904 -4.957 1.00 0.00 C ATOM 910 CD1 LEU A 65 -7.369 2.767 -6.221 1.00 0.00 C ATOM 911 CD2 LEU A 65 -8.799 1.622 -4.466 1.00 0.00 C ATOM 0 H LEU A 65 -4.304 0.367 -3.751 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.206 -0.162 -3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.661 0.840 -5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.173 -0.021 -5.870 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.874 2.472 -4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.924 3.687 -6.037 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.341 3.011 -6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.836 2.219 -7.039 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.326 2.564 -4.317 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.328 1.024 -5.208 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.757 1.077 -3.523 1.00 0.00 H new ATOM 923 N SER A 66 -4.871 -1.981 -4.730 1.00 0.00 N ATOM 924 CA SER A 66 -4.496 -3.348 -5.050 1.00 0.00 C ATOM 925 C SER A 66 -2.972 -3.487 -5.042 1.00 0.00 C ATOM 926 O SER A 66 -2.254 -2.489 -5.043 1.00 0.00 O ATOM 927 CB SER A 66 -5.061 -3.771 -6.407 1.00 0.00 C ATOM 928 OG SER A 66 -4.809 -2.798 -7.417 1.00 0.00 O ATOM 0 H SER A 66 -4.159 -1.282 -4.942 1.00 0.00 H new ATOM 0 HA SER A 66 -4.919 -4.006 -4.291 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.620 -4.723 -6.703 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.135 -3.931 -6.318 1.00 0.00 H new ATOM 0 HG SER A 66 -5.184 -3.106 -8.269 1.00 0.00 H new ATOM 934 N VAL A 67 -2.524 -4.734 -5.035 1.00 0.00 N ATOM 935 CA VAL A 67 -1.099 -5.017 -5.028 1.00 0.00 C ATOM 936 C VAL A 67 -0.778 -6.027 -6.132 1.00 0.00 C ATOM 937 O VAL A 67 -1.471 -7.032 -6.279 1.00 0.00 O ATOM 938 CB VAL A 67 -0.667 -5.492 -3.639 1.00 0.00 C ATOM 939 CG1 VAL A 67 -1.763 -6.332 -2.981 1.00 0.00 C ATOM 940 CG2 VAL A 67 0.650 -6.267 -3.710 1.00 0.00 C ATOM 0 H VAL A 67 -3.123 -5.560 -5.034 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.529 -4.112 -5.240 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.504 -4.610 -3.019 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.430 -6.657 -1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.668 -5.734 -2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.973 -7.205 -3.599 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.935 -6.593 -2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.526 -7.138 -4.354 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.430 -5.623 -4.117 1.00 0.00 H new ATOM 950 N ASN A 68 0.274 -5.725 -6.879 1.00 0.00 N ATOM 951 CA ASN A 68 0.695 -6.594 -7.965 1.00 0.00 C ATOM 952 C ASN A 68 -0.541 -7.146 -8.679 1.00 0.00 C ATOM 953 O ASN A 68 -0.509 -8.252 -9.216 1.00 0.00 O ATOM 954 CB ASN A 68 1.506 -7.779 -7.438 1.00 0.00 C ATOM 955 CG ASN A 68 2.855 -7.881 -8.154 1.00 0.00 C ATOM 956 OD1 ASN A 68 3.085 -7.278 -9.189 1.00 0.00 O ATOM 957 ND2 ASN A 68 3.731 -8.676 -7.546 1.00 0.00 N ATOM 0 H ASN A 68 0.847 -4.891 -6.754 1.00 0.00 H new ATOM 0 HA ASN A 68 1.313 -6.009 -8.646 1.00 0.00 H new ATOM 0 HB2 ASN A 68 1.667 -7.666 -6.366 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.944 -8.702 -7.581 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.660 -8.810 -7.945 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.474 -9.151 -6.681 1.00 0.00 H new ATOM 964 N GLY A 69 -1.600 -6.350 -8.661 1.00 0.00 N ATOM 965 CA GLY A 69 -2.843 -6.746 -9.300 1.00 0.00 C ATOM 966 C GLY A 69 -3.697 -7.598 -8.358 1.00 0.00 C ATOM 967 O GLY A 69 -4.231 -8.630 -8.762 1.00 0.00 O ATOM 0 H GLY A 69 -1.623 -5.433 -8.214 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.401 -5.859 -9.600 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.626 -7.308 -10.208 1.00 0.00 H new ATOM 971 N VAL A 70 -3.799 -7.134 -7.122 1.00 0.00 N ATOM 972 CA VAL A 70 -4.578 -7.840 -6.119 1.00 0.00 C ATOM 973 C VAL A 70 -5.724 -6.944 -5.645 1.00 0.00 C ATOM 974 O VAL A 70 -5.491 -5.917 -5.009 1.00 0.00 O ATOM 975 CB VAL A 70 -3.669 -8.302 -4.979 1.00 0.00 C ATOM 976 CG1 VAL A 70 -4.472 -9.025 -3.895 1.00 0.00 C ATOM 977 CG2 VAL A 70 -2.537 -9.186 -5.504 1.00 0.00 C ATOM 0 H VAL A 70 -3.355 -6.277 -6.792 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.024 -8.739 -6.545 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.221 -7.416 -4.529 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.801 -9.343 -3.097 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.225 -8.350 -3.489 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.962 -9.898 -4.326 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.906 -9.501 -4.673 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.958 -10.065 -5.993 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.939 -8.624 -6.221 1.00 0.00 H new ATOM 987 N ASN A 71 -6.937 -7.364 -5.973 1.00 0.00 N ATOM 988 CA ASN A 71 -8.119 -6.612 -5.589 1.00 0.00 C ATOM 989 C ASN A 71 -8.284 -6.671 -4.069 1.00 0.00 C ATOM 990 O ASN A 71 -8.649 -7.709 -3.520 1.00 0.00 O ATOM 991 CB ASN A 71 -9.379 -7.203 -6.224 1.00 0.00 C ATOM 992 CG ASN A 71 -10.391 -6.106 -6.558 1.00 0.00 C ATOM 993 OD1 ASN A 71 -10.145 -4.924 -6.384 1.00 0.00 O ATOM 994 ND2 ASN A 71 -11.541 -6.562 -7.046 1.00 0.00 N ATOM 0 H ASN A 71 -7.127 -8.216 -6.501 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.991 -5.585 -5.931 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.113 -7.746 -7.131 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.830 -7.924 -5.542 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -12.282 -5.909 -7.300 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.682 -7.565 -7.167 1.00 0.00 H new ATOM 1001 N LEU A 72 -8.006 -5.543 -3.431 1.00 0.00 N ATOM 1002 CA LEU A 72 -8.119 -5.453 -1.985 1.00 0.00 C ATOM 1003 C LEU A 72 -8.919 -4.202 -1.617 1.00 0.00 C ATOM 1004 O LEU A 72 -8.834 -3.715 -0.491 1.00 0.00 O ATOM 1005 CB LEU A 72 -6.735 -5.511 -1.335 1.00 0.00 C ATOM 1006 CG LEU A 72 -5.873 -6.722 -1.698 1.00 0.00 C ATOM 1007 CD1 LEU A 72 -4.384 -6.387 -1.594 1.00 0.00 C ATOM 1008 CD2 LEU A 72 -6.249 -7.937 -0.846 1.00 0.00 C ATOM 0 H LEU A 72 -7.703 -4.684 -3.889 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.667 -6.309 -1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.190 -4.607 -1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.863 -5.492 -0.253 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.071 -6.983 -2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.794 -7.265 -1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.146 -5.572 -2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.149 -6.085 -0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.622 -8.784 -1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.098 -7.703 0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.296 -8.190 -1.015 1.00 0.00 H new ATOM 1020 N ARG A 73 -9.679 -3.718 -2.589 1.00 0.00 N ATOM 1021 CA ARG A 73 -10.494 -2.533 -2.381 1.00 0.00 C ATOM 1022 C ARG A 73 -11.177 -2.592 -1.013 1.00 0.00 C ATOM 1023 O ARG A 73 -11.411 -1.559 -0.387 1.00 0.00 O ATOM 1024 CB ARG A 73 -11.560 -2.400 -3.470 1.00 0.00 C ATOM 1025 CG ARG A 73 -10.940 -1.942 -4.791 1.00 0.00 C ATOM 1026 CD ARG A 73 -12.009 -1.390 -5.737 1.00 0.00 C ATOM 1027 NE ARG A 73 -11.602 -1.606 -7.143 1.00 0.00 N ATOM 1028 CZ ARG A 73 -12.335 -1.238 -8.203 1.00 0.00 C ATOM 1029 NH1 ARG A 73 -13.517 -0.634 -8.022 1.00 0.00 N ATOM 1030 NH2 ARG A 73 -11.886 -1.475 -9.443 1.00 0.00 N ATOM 0 H ARG A 73 -9.747 -4.125 -3.522 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.835 -1.666 -2.425 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.061 -3.357 -3.612 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.320 -1.686 -3.154 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.189 -1.176 -4.598 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.427 -2.779 -5.265 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.963 -1.881 -5.547 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.156 -0.326 -5.552 1.00 0.00 H new ATOM 0 HE ARG A 73 -10.707 -2.064 -7.317 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -13.859 -0.454 -7.078 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -14.075 -0.354 -8.828 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -10.986 -1.936 -9.580 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.444 -1.195 -10.250 1.00 0.00 H new ATOM 1044 N ASN A 74 -11.477 -3.810 -0.589 1.00 0.00 N ATOM 1045 CA ASN A 74 -12.128 -4.017 0.694 1.00 0.00 C ATOM 1046 C ASN A 74 -11.625 -5.323 1.311 1.00 0.00 C ATOM 1047 O ASN A 74 -12.351 -6.316 1.350 1.00 0.00 O ATOM 1048 CB ASN A 74 -13.646 -4.125 0.530 1.00 0.00 C ATOM 1049 CG ASN A 74 -14.009 -4.728 -0.829 1.00 0.00 C ATOM 1050 OD1 ASN A 74 -14.261 -5.914 -0.963 1.00 0.00 O ATOM 1051 ND2 ASN A 74 -14.021 -3.847 -1.825 1.00 0.00 N ATOM 0 H ASN A 74 -11.282 -4.664 -1.111 1.00 0.00 H new ATOM 0 HA ASN A 74 -11.894 -3.165 1.333 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.059 -4.743 1.328 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.097 -3.137 0.626 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.251 -4.150 -2.771 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.800 -2.868 -1.643 1.00 0.00 H new ATOM 1058 N ALA A 75 -10.387 -5.281 1.780 1.00 0.00 N ATOM 1059 CA ALA A 75 -9.778 -6.449 2.394 1.00 0.00 C ATOM 1060 C ALA A 75 -9.317 -6.094 3.809 1.00 0.00 C ATOM 1061 O ALA A 75 -9.477 -4.957 4.250 1.00 0.00 O ATOM 1062 CB ALA A 75 -8.630 -6.948 1.515 1.00 0.00 C ATOM 0 H ALA A 75 -9.788 -4.456 1.747 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.501 -7.260 2.477 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.173 -7.824 1.976 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.015 -7.215 0.531 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.883 -6.161 1.411 1.00 0.00 H new ATOM 1068 N THR A 76 -8.755 -7.088 4.480 1.00 0.00 N ATOM 1069 CA THR A 76 -8.270 -6.895 5.836 1.00 0.00 C ATOM 1070 C THR A 76 -6.789 -6.512 5.823 1.00 0.00 C ATOM 1071 O THR A 76 -6.081 -6.788 4.856 1.00 0.00 O ATOM 1072 CB THR A 76 -8.561 -8.171 6.629 1.00 0.00 C ATOM 1073 OG1 THR A 76 -7.718 -9.152 6.029 1.00 0.00 O ATOM 1074 CG2 THR A 76 -9.976 -8.700 6.389 1.00 0.00 C ATOM 0 H THR A 76 -8.625 -8.030 4.110 1.00 0.00 H new ATOM 0 HA THR A 76 -8.783 -6.067 6.325 1.00 0.00 H new ATOM 0 HB THR A 76 -8.422 -7.977 7.692 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.841 -10.011 6.483 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.130 -9.606 6.975 1.00 0.00 H new ATOM 0 HG22 THR A 76 -10.703 -7.945 6.690 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.105 -8.926 5.331 1.00 0.00 H new ATOM 1082 N HIS A 77 -6.364 -5.881 6.909 1.00 0.00 N ATOM 1083 CA HIS A 77 -4.980 -5.457 7.034 1.00 0.00 C ATOM 1084 C HIS A 77 -4.053 -6.620 6.675 1.00 0.00 C ATOM 1085 O HIS A 77 -3.128 -6.458 5.881 1.00 0.00 O ATOM 1086 CB HIS A 77 -4.710 -4.892 8.430 1.00 0.00 C ATOM 1087 CG HIS A 77 -3.532 -3.949 8.493 1.00 0.00 C ATOM 1088 ND1 HIS A 77 -3.350 -3.044 9.525 1.00 0.00 N ATOM 1089 CD2 HIS A 77 -2.478 -3.781 7.643 1.00 0.00 C ATOM 1090 CE1 HIS A 77 -2.235 -2.367 9.295 1.00 0.00 C ATOM 1091 NE2 HIS A 77 -1.697 -2.824 8.129 1.00 0.00 N ATOM 0 H HIS A 77 -6.954 -5.654 7.709 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.778 -4.648 6.332 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.601 -4.368 8.777 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.538 -5.719 9.119 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -2.308 -4.333 6.730 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -1.824 -1.589 9.922 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.835 -2.486 7.700 1.00 0.00 H new ATOM 1099 N GLU A 78 -4.333 -7.766 7.278 1.00 0.00 N ATOM 1100 CA GLU A 78 -3.535 -8.955 7.032 1.00 0.00 C ATOM 1101 C GLU A 78 -3.580 -9.327 5.549 1.00 0.00 C ATOM 1102 O GLU A 78 -2.540 -9.463 4.907 1.00 0.00 O ATOM 1103 CB GLU A 78 -4.006 -10.121 7.904 1.00 0.00 C ATOM 1104 CG GLU A 78 -3.549 -11.460 7.323 1.00 0.00 C ATOM 1105 CD GLU A 78 -4.064 -12.629 8.165 1.00 0.00 C ATOM 1106 OE1 GLU A 78 -5.286 -12.884 8.093 1.00 0.00 O ATOM 1107 OE2 GLU A 78 -3.226 -13.239 8.862 1.00 0.00 O ATOM 0 H GLU A 78 -5.101 -7.896 7.936 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.501 -8.737 7.301 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.613 -10.006 8.914 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.093 -10.106 7.981 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.910 -11.558 6.299 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.460 -11.489 7.281 1.00 0.00 H new ATOM 1114 N GLN A 79 -4.797 -9.482 5.047 1.00 0.00 N ATOM 1115 CA GLN A 79 -4.991 -9.835 3.651 1.00 0.00 C ATOM 1116 C GLN A 79 -4.279 -8.829 2.745 1.00 0.00 C ATOM 1117 O GLN A 79 -3.789 -9.190 1.676 1.00 0.00 O ATOM 1118 CB GLN A 79 -6.480 -9.922 3.310 1.00 0.00 C ATOM 1119 CG GLN A 79 -7.006 -11.346 3.507 1.00 0.00 C ATOM 1120 CD GLN A 79 -8.119 -11.663 2.507 1.00 0.00 C ATOM 1121 OE1 GLN A 79 -8.191 -11.109 1.423 1.00 0.00 O ATOM 1122 NE2 GLN A 79 -8.981 -12.582 2.932 1.00 0.00 N ATOM 0 H GLN A 79 -5.658 -9.370 5.582 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.555 -10.819 3.481 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.042 -9.233 3.940 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.639 -9.611 2.277 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.190 -12.059 3.386 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.382 -11.461 4.524 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.862 -13.006 3.852 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.761 -12.863 2.338 1.00 0.00 H new ATOM 1131 N ALA A 80 -4.244 -7.587 3.205 1.00 0.00 N ATOM 1132 CA ALA A 80 -3.600 -6.527 2.449 1.00 0.00 C ATOM 1133 C ALA A 80 -2.082 -6.699 2.529 1.00 0.00 C ATOM 1134 O ALA A 80 -1.348 -6.157 1.704 1.00 0.00 O ATOM 1135 CB ALA A 80 -4.062 -5.168 2.980 1.00 0.00 C ATOM 0 H ALA A 80 -4.651 -7.291 4.092 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.882 -6.579 1.398 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.579 -4.372 2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.144 -5.084 2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.793 -5.078 4.032 1.00 0.00 H new ATOM 1141 N ALA A 81 -1.656 -7.455 3.530 1.00 0.00 N ATOM 1142 CA ALA A 81 -0.239 -7.706 3.728 1.00 0.00 C ATOM 1143 C ALA A 81 0.145 -9.015 3.036 1.00 0.00 C ATOM 1144 O ALA A 81 1.175 -9.089 2.367 1.00 0.00 O ATOM 1145 CB ALA A 81 0.071 -7.725 5.227 1.00 0.00 C ATOM 0 H ALA A 81 -2.268 -7.902 4.213 1.00 0.00 H new ATOM 0 HA ALA A 81 0.358 -6.911 3.281 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.134 -7.913 5.376 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.192 -6.762 5.665 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.508 -8.513 5.708 1.00 0.00 H new ATOM 1151 N ALA A 82 -0.703 -10.016 3.221 1.00 0.00 N ATOM 1152 CA ALA A 82 -0.465 -11.318 2.623 1.00 0.00 C ATOM 1153 C ALA A 82 -0.033 -11.135 1.167 1.00 0.00 C ATOM 1154 O ALA A 82 0.739 -11.934 0.639 1.00 0.00 O ATOM 1155 CB ALA A 82 -1.724 -12.178 2.754 1.00 0.00 C ATOM 0 H ALA A 82 -1.556 -9.951 3.777 1.00 0.00 H new ATOM 0 HA ALA A 82 0.340 -11.837 3.143 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.545 -13.155 2.305 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.971 -12.303 3.808 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.553 -11.690 2.242 1.00 0.00 H new ATOM 1161 N ALA A 83 -0.550 -10.077 0.559 1.00 0.00 N ATOM 1162 CA ALA A 83 -0.227 -9.778 -0.826 1.00 0.00 C ATOM 1163 C ALA A 83 1.252 -9.400 -0.931 1.00 0.00 C ATOM 1164 O ALA A 83 2.011 -10.042 -1.655 1.00 0.00 O ATOM 1165 CB ALA A 83 -1.150 -8.671 -1.338 1.00 0.00 C ATOM 0 H ALA A 83 -1.190 -9.417 1.000 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.388 -10.653 -1.455 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.908 -8.447 -2.377 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.187 -9.001 -1.270 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.014 -7.775 -0.732 1.00 0.00 H new ATOM 1171 N LEU A 84 1.616 -8.359 -0.197 1.00 0.00 N ATOM 1172 CA LEU A 84 2.991 -7.887 -0.198 1.00 0.00 C ATOM 1173 C LEU A 84 3.919 -9.034 0.205 1.00 0.00 C ATOM 1174 O LEU A 84 5.124 -8.978 -0.040 1.00 0.00 O ATOM 1175 CB LEU A 84 3.131 -6.644 0.683 1.00 0.00 C ATOM 1176 CG LEU A 84 2.676 -5.324 0.058 1.00 0.00 C ATOM 1177 CD1 LEU A 84 3.173 -5.200 -1.384 1.00 0.00 C ATOM 1178 CD2 LEU A 84 1.158 -5.164 0.156 1.00 0.00 C ATOM 0 H LEU A 84 0.983 -7.829 0.402 1.00 0.00 H new ATOM 0 HA LEU A 84 3.286 -7.574 -1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.561 -6.805 1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.177 -6.544 0.973 1.00 0.00 H new ATOM 0 HG LEU A 84 3.123 -4.507 0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.836 -4.253 -1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.262 -5.236 -1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.775 -6.023 -1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.862 -4.217 -0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.671 -5.985 -0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.858 -5.175 1.204 1.00 0.00 H new ATOM 1190 N LYS A 85 3.324 -10.048 0.815 1.00 0.00 N ATOM 1191 CA LYS A 85 4.083 -11.207 1.254 1.00 0.00 C ATOM 1192 C LYS A 85 4.247 -12.177 0.083 1.00 0.00 C ATOM 1193 O LYS A 85 5.306 -12.780 -0.085 1.00 0.00 O ATOM 1194 CB LYS A 85 3.434 -11.837 2.488 1.00 0.00 C ATOM 1195 CG LYS A 85 4.033 -11.265 3.775 1.00 0.00 C ATOM 1196 CD LYS A 85 3.180 -10.114 4.313 1.00 0.00 C ATOM 1197 CE LYS A 85 3.853 -9.449 5.515 1.00 0.00 C ATOM 1198 NZ LYS A 85 3.359 -10.041 6.778 1.00 0.00 N ATOM 0 H LYS A 85 2.325 -10.091 1.016 1.00 0.00 H new ATOM 0 HA LYS A 85 5.084 -10.910 1.566 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.359 -11.655 2.471 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.575 -12.918 2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.106 -12.051 4.527 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.046 -10.912 3.583 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.021 -9.376 3.527 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.198 -10.489 4.602 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.934 -9.571 5.448 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.652 -8.378 5.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.826 -9.578 7.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.331 -9.903 6.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.573 -11.059 6.791 1.00 0.00 H new ATOM 1212 N ARG A 86 3.183 -12.299 -0.697 1.00 0.00 N ATOM 1213 CA ARG A 86 3.195 -13.186 -1.848 1.00 0.00 C ATOM 1214 C ARG A 86 3.848 -12.492 -3.045 1.00 0.00 C ATOM 1215 O ARG A 86 4.097 -13.122 -4.072 1.00 0.00 O ATOM 1216 CB ARG A 86 1.777 -13.616 -2.227 1.00 0.00 C ATOM 1217 CG ARG A 86 1.105 -12.566 -3.116 1.00 0.00 C ATOM 1218 CD ARG A 86 -0.189 -13.110 -3.723 1.00 0.00 C ATOM 1219 NE ARG A 86 -0.274 -12.735 -5.153 1.00 0.00 N ATOM 1220 CZ ARG A 86 0.534 -13.221 -6.105 1.00 0.00 C ATOM 1221 NH1 ARG A 86 1.491 -14.103 -5.787 1.00 0.00 N ATOM 1222 NH2 ARG A 86 0.384 -12.824 -7.377 1.00 0.00 N ATOM 0 H ARG A 86 2.306 -11.798 -0.554 1.00 0.00 H new ATOM 0 HA ARG A 86 3.770 -14.072 -1.579 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.810 -14.572 -2.749 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.185 -13.766 -1.324 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.889 -11.673 -2.530 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.787 -12.268 -3.912 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.221 -14.195 -3.620 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.049 -12.714 -3.183 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.992 -12.066 -5.430 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.605 -14.405 -4.819 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.106 -14.472 -6.512 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.345 -12.153 -7.619 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.999 -13.193 -8.102 1.00 0.00 H new ATOM 1236 N ALA A 87 4.108 -11.204 -2.874 1.00 0.00 N ATOM 1237 CA ALA A 87 4.727 -10.419 -3.928 1.00 0.00 C ATOM 1238 C ALA A 87 6.138 -10.949 -4.191 1.00 0.00 C ATOM 1239 O ALA A 87 6.349 -12.159 -4.250 1.00 0.00 O ATOM 1240 CB ALA A 87 4.724 -8.941 -3.532 1.00 0.00 C ATOM 0 H ALA A 87 3.901 -10.685 -2.021 1.00 0.00 H new ATOM 0 HA ALA A 87 4.163 -10.509 -4.856 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.188 -8.352 -4.323 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.697 -8.606 -3.385 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.284 -8.811 -2.606 1.00 0.00 H new ATOM 1246 N GLY A 88 7.067 -10.017 -4.341 1.00 0.00 N ATOM 1247 CA GLY A 88 8.452 -10.375 -4.597 1.00 0.00 C ATOM 1248 C GLY A 88 9.332 -9.127 -4.696 1.00 0.00 C ATOM 1249 O GLY A 88 9.118 -8.154 -3.975 1.00 0.00 O ATOM 0 H GLY A 88 6.888 -9.014 -4.290 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.818 -11.020 -3.798 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.519 -10.946 -5.523 1.00 0.00 H new ATOM 1253 N GLN A 89 10.303 -9.197 -5.595 1.00 0.00 N ATOM 1254 CA GLN A 89 11.216 -8.085 -5.798 1.00 0.00 C ATOM 1255 C GLN A 89 10.497 -6.929 -6.496 1.00 0.00 C ATOM 1256 O GLN A 89 10.526 -5.796 -6.018 1.00 0.00 O ATOM 1257 CB GLN A 89 12.447 -8.525 -6.593 1.00 0.00 C ATOM 1258 CG GLN A 89 13.200 -7.315 -7.151 1.00 0.00 C ATOM 1259 CD GLN A 89 14.697 -7.607 -7.266 1.00 0.00 C ATOM 1260 OE1 GLN A 89 15.154 -8.303 -8.158 1.00 0.00 O ATOM 1261 NE2 GLN A 89 15.434 -7.037 -6.317 1.00 0.00 N ATOM 0 H GLN A 89 10.477 -10.006 -6.191 1.00 0.00 H new ATOM 0 HA GLN A 89 11.559 -7.738 -4.823 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.110 -9.106 -5.952 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.142 -9.177 -7.411 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.800 -7.054 -8.131 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.043 -6.453 -6.502 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.988 -6.466 -5.599 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.445 -7.171 -6.307 1.00 0.00 H new ATOM 1270 N SER A 90 9.868 -7.254 -7.616 1.00 0.00 N ATOM 1271 CA SER A 90 9.144 -6.257 -8.385 1.00 0.00 C ATOM 1272 C SER A 90 7.644 -6.368 -8.104 1.00 0.00 C ATOM 1273 O SER A 90 6.959 -7.204 -8.693 1.00 0.00 O ATOM 1274 CB SER A 90 9.416 -6.411 -9.883 1.00 0.00 C ATOM 1275 OG SER A 90 10.231 -7.545 -10.163 1.00 0.00 O ATOM 0 H SER A 90 9.845 -8.195 -8.009 1.00 0.00 H new ATOM 0 HA SER A 90 9.493 -5.270 -8.080 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.470 -6.504 -10.416 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.905 -5.512 -10.257 1.00 0.00 H new ATOM 0 HG SER A 90 10.380 -7.610 -11.129 1.00 0.00 H new ATOM 1281 N VAL A 91 7.177 -5.514 -7.205 1.00 0.00 N ATOM 1282 CA VAL A 91 5.771 -5.507 -6.839 1.00 0.00 C ATOM 1283 C VAL A 91 5.126 -4.211 -7.336 1.00 0.00 C ATOM 1284 O VAL A 91 5.673 -3.127 -7.141 1.00 0.00 O ATOM 1285 CB VAL A 91 5.622 -5.707 -5.329 1.00 0.00 C ATOM 1286 CG1 VAL A 91 4.182 -6.072 -4.965 1.00 0.00 C ATOM 1287 CG2 VAL A 91 6.603 -6.764 -4.817 1.00 0.00 C ATOM 0 H VAL A 91 7.748 -4.822 -6.719 1.00 0.00 H new ATOM 0 HA VAL A 91 5.248 -6.336 -7.317 1.00 0.00 H new ATOM 0 HB VAL A 91 5.862 -4.763 -4.840 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.103 -6.209 -3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.513 -5.271 -5.279 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.902 -6.997 -5.469 1.00 0.00 H new ATOM 0 HG21 VAL A 91 6.477 -6.887 -3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.408 -7.713 -5.316 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.624 -6.446 -5.028 1.00 0.00 H new ATOM 1297 N THR A 92 3.973 -4.367 -7.970 1.00 0.00 N ATOM 1298 CA THR A 92 3.248 -3.223 -8.497 1.00 0.00 C ATOM 1299 C THR A 92 2.096 -2.846 -7.564 1.00 0.00 C ATOM 1300 O THR A 92 1.036 -3.469 -7.598 1.00 0.00 O ATOM 1301 CB THR A 92 2.793 -3.566 -9.917 1.00 0.00 C ATOM 1302 OG1 THR A 92 4.008 -3.695 -10.650 1.00 0.00 O ATOM 1303 CG2 THR A 92 2.070 -2.401 -10.597 1.00 0.00 C ATOM 0 H THR A 92 3.523 -5.268 -8.131 1.00 0.00 H new ATOM 0 HA THR A 92 3.885 -2.340 -8.548 1.00 0.00 H new ATOM 0 HB THR A 92 2.135 -4.435 -9.887 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.805 -3.919 -11.582 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.768 -2.697 -11.602 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.187 -2.133 -10.017 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.739 -1.543 -10.657 1.00 0.00 H new ATOM 1311 N ILE A 93 2.343 -1.829 -6.752 1.00 0.00 N ATOM 1312 CA ILE A 93 1.340 -1.361 -5.811 1.00 0.00 C ATOM 1313 C ILE A 93 0.515 -0.250 -6.462 1.00 0.00 C ATOM 1314 O ILE A 93 1.061 0.771 -6.879 1.00 0.00 O ATOM 1315 CB ILE A 93 1.994 -0.949 -4.491 1.00 0.00 C ATOM 1316 CG1 ILE A 93 2.785 -2.109 -3.885 1.00 0.00 C ATOM 1317 CG2 ILE A 93 0.955 -0.391 -3.515 1.00 0.00 C ATOM 1318 CD1 ILE A 93 4.225 -2.121 -4.402 1.00 0.00 C ATOM 0 H ILE A 93 3.224 -1.316 -6.726 1.00 0.00 H new ATOM 0 HA ILE A 93 0.649 -2.166 -5.560 1.00 0.00 H new ATOM 0 HB ILE A 93 2.705 -0.149 -4.697 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.786 -2.025 -2.798 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.299 -3.053 -4.131 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.446 -0.106 -2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.475 0.483 -3.955 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.203 -1.153 -3.309 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.765 -2.956 -3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.221 -2.230 -5.487 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.716 -1.186 -4.133 1.00 0.00 H new ATOM 1330 N VAL A 94 -0.788 -0.485 -6.530 1.00 0.00 N ATOM 1331 CA VAL A 94 -1.693 0.484 -7.124 1.00 0.00 C ATOM 1332 C VAL A 94 -2.505 1.161 -6.018 1.00 0.00 C ATOM 1333 O VAL A 94 -3.479 0.596 -5.523 1.00 0.00 O ATOM 1334 CB VAL A 94 -2.570 -0.197 -8.178 1.00 0.00 C ATOM 1335 CG1 VAL A 94 -3.408 0.831 -8.940 1.00 0.00 C ATOM 1336 CG2 VAL A 94 -1.723 -1.035 -9.138 1.00 0.00 C ATOM 0 H VAL A 94 -1.238 -1.332 -6.183 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.133 1.264 -7.640 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.254 -0.870 -7.661 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.022 0.321 -9.683 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.052 1.365 -8.241 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.748 1.540 -9.440 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.370 -1.508 -9.876 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.004 -0.392 -9.645 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.191 -1.803 -8.577 1.00 0.00 H new ATOM 1346 N ALA A 95 -2.074 2.363 -5.663 1.00 0.00 N ATOM 1347 CA ALA A 95 -2.749 3.123 -4.625 1.00 0.00 C ATOM 1348 C ALA A 95 -2.955 4.561 -5.105 1.00 0.00 C ATOM 1349 O ALA A 95 -2.182 5.065 -5.919 1.00 0.00 O ATOM 1350 CB ALA A 95 -1.937 3.051 -3.330 1.00 0.00 C ATOM 0 H ALA A 95 -1.266 2.829 -6.076 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.732 2.701 -4.417 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.443 3.621 -2.551 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.844 2.011 -3.016 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.945 3.469 -3.499 1.00 0.00 H new ATOM 1356 N GLN A 96 -4.001 5.182 -4.580 1.00 0.00 N ATOM 1357 CA GLN A 96 -4.318 6.553 -4.944 1.00 0.00 C ATOM 1358 C GLN A 96 -4.204 7.467 -3.723 1.00 0.00 C ATOM 1359 O GLN A 96 -4.835 7.219 -2.696 1.00 0.00 O ATOM 1360 CB GLN A 96 -5.711 6.645 -5.570 1.00 0.00 C ATOM 1361 CG GLN A 96 -6.791 6.230 -4.568 1.00 0.00 C ATOM 1362 CD GLN A 96 -8.183 6.311 -5.197 1.00 0.00 C ATOM 1363 OE1 GLN A 96 -8.309 5.615 -6.324 1.00 0.00 O flip ATOM 1364 NE2 GLN A 96 -9.083 6.962 -4.693 1.00 0.00 N flip ATOM 0 H GLN A 96 -4.640 4.761 -3.905 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.597 6.886 -5.690 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.895 7.665 -5.907 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -5.761 6.004 -6.450 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.602 5.213 -4.225 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.746 6.876 -3.691 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.919 7.473 -3.826 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -10.000 6.995 -5.139 1.00 0.00 H new ATOM 1373 N TYR A 97 -3.394 8.504 -3.874 1.00 0.00 N ATOM 1374 CA TYR A 97 -3.189 9.457 -2.796 1.00 0.00 C ATOM 1375 C TYR A 97 -4.525 9.931 -2.222 1.00 0.00 C ATOM 1376 O TYR A 97 -5.529 9.976 -2.931 1.00 0.00 O ATOM 1377 CB TYR A 97 -2.463 10.650 -3.420 1.00 0.00 C ATOM 1378 CG TYR A 97 -1.357 11.236 -2.539 1.00 0.00 C ATOM 1379 CD1 TYR A 97 -1.662 11.733 -1.288 1.00 0.00 C ATOM 1380 CD2 TYR A 97 -0.055 11.269 -2.995 1.00 0.00 C ATOM 1381 CE1 TYR A 97 -0.622 12.284 -0.459 1.00 0.00 C ATOM 1382 CE2 TYR A 97 0.985 11.820 -2.166 1.00 0.00 C ATOM 1383 CZ TYR A 97 0.650 12.301 -0.939 1.00 0.00 C ATOM 1384 OH TYR A 97 1.632 12.822 -0.156 1.00 0.00 O ATOM 0 H TYR A 97 -2.872 8.706 -4.727 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.623 9.002 -1.984 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.030 10.342 -4.372 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -3.191 11.431 -3.639 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.681 11.709 -0.931 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.184 10.881 -3.974 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.847 12.675 0.522 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.008 11.851 -2.511 1.00 0.00 H new ATOM 0 HH TYR A 97 2.490 12.767 -0.627 1.00 0.00 H new ATOM 1394 N ARG A 98 -4.495 10.274 -0.942 1.00 0.00 N ATOM 1395 CA ARG A 98 -5.691 10.744 -0.264 1.00 0.00 C ATOM 1396 C ARG A 98 -5.418 10.924 1.230 1.00 0.00 C ATOM 1397 O ARG A 98 -5.663 10.017 2.024 1.00 0.00 O ATOM 1398 CB ARG A 98 -6.850 9.762 -0.449 1.00 0.00 C ATOM 1399 CG ARG A 98 -7.929 10.352 -1.360 1.00 0.00 C ATOM 1400 CD ARG A 98 -9.268 10.457 -0.627 1.00 0.00 C ATOM 1401 NE ARG A 98 -10.330 10.870 -1.571 1.00 0.00 N ATOM 1402 CZ ARG A 98 -10.817 10.086 -2.542 1.00 0.00 C ATOM 1403 NH1 ARG A 98 -10.340 8.845 -2.704 1.00 0.00 N ATOM 1404 NH2 ARG A 98 -11.782 10.544 -3.352 1.00 0.00 N ATOM 0 H ARG A 98 -3.661 10.236 -0.357 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.967 11.702 -0.704 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.478 8.831 -0.876 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.282 9.517 0.521 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.620 11.339 -1.704 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.043 9.728 -2.246 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -9.522 9.497 -0.178 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.191 11.179 0.186 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.715 11.810 -1.477 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.606 8.496 -2.088 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.711 8.248 -3.443 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -12.145 11.489 -3.229 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.153 9.947 -4.091 1.00 0.00 H new ATOM 1418 N PRO A 99 -4.902 12.133 1.578 1.00 0.00 N ATOM 1419 CA PRO A 99 -4.593 12.444 2.964 1.00 0.00 C ATOM 1420 C PRO A 99 -5.869 12.721 3.761 1.00 0.00 C ATOM 1421 O PRO A 99 -5.928 12.452 4.960 1.00 0.00 O ATOM 1422 CB PRO A 99 -3.661 13.643 2.899 1.00 0.00 C ATOM 1423 CG PRO A 99 -3.851 14.245 1.517 1.00 0.00 C ATOM 1424 CD PRO A 99 -4.599 13.232 0.666 1.00 0.00 C ATOM 0 HA PRO A 99 -4.117 11.614 3.486 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.902 14.367 3.677 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -2.625 13.341 3.054 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -4.411 15.178 1.581 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -2.886 14.483 1.068 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -5.509 13.662 0.248 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -3.991 12.894 -0.173 1.00 0.00 H new ATOM 1432 N GLU A 100 -6.860 13.256 3.063 1.00 0.00 N ATOM 1433 CA GLU A 100 -8.132 13.573 3.690 1.00 0.00 C ATOM 1434 C GLU A 100 -8.674 12.352 4.437 1.00 0.00 C ATOM 1435 O GLU A 100 -8.972 12.431 5.628 1.00 0.00 O ATOM 1436 CB GLU A 100 -9.143 14.077 2.658 1.00 0.00 C ATOM 1437 CG GLU A 100 -9.967 15.237 3.219 1.00 0.00 C ATOM 1438 CD GLU A 100 -10.792 15.907 2.118 1.00 0.00 C ATOM 1439 OE1 GLU A 100 -10.178 16.273 1.093 1.00 0.00 O ATOM 1440 OE2 GLU A 100 -12.017 16.037 2.327 1.00 0.00 O ATOM 0 H GLU A 100 -6.808 13.478 2.069 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.969 14.374 4.411 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.619 14.400 1.758 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.806 13.263 2.366 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -10.630 14.871 4.003 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -9.304 15.970 3.678 1.00 0.00 H new ATOM 1447 N GLU A 101 -8.784 11.252 3.707 1.00 0.00 N ATOM 1448 CA GLU A 101 -9.285 10.017 4.285 1.00 0.00 C ATOM 1449 C GLU A 101 -8.326 9.510 5.365 1.00 0.00 C ATOM 1450 O GLU A 101 -8.704 9.394 6.530 1.00 0.00 O ATOM 1451 CB GLU A 101 -9.505 8.956 3.206 1.00 0.00 C ATOM 1452 CG GLU A 101 -10.851 9.156 2.506 1.00 0.00 C ATOM 1453 CD GLU A 101 -11.980 8.481 3.286 1.00 0.00 C ATOM 1454 OE1 GLU A 101 -12.095 8.782 4.494 1.00 0.00 O ATOM 1455 OE2 GLU A 101 -12.703 7.678 2.657 1.00 0.00 O ATOM 0 H GLU A 101 -8.535 11.190 2.720 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.250 10.221 4.749 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.699 9.005 2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.468 7.963 3.654 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.059 10.221 2.407 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.805 8.745 1.497 1.00 0.00 H new ATOM 1462 N TYR A 102 -7.105 9.221 4.940 1.00 0.00 N ATOM 1463 CA TYR A 102 -6.090 8.729 5.855 1.00 0.00 C ATOM 1464 C TYR A 102 -6.108 9.516 7.168 1.00 0.00 C ATOM 1465 O TYR A 102 -5.827 8.964 8.230 1.00 0.00 O ATOM 1466 CB TYR A 102 -4.748 8.955 5.157 1.00 0.00 C ATOM 1467 CG TYR A 102 -3.533 8.583 6.010 1.00 0.00 C ATOM 1468 CD1 TYR A 102 -3.393 7.295 6.487 1.00 0.00 C ATOM 1469 CD2 TYR A 102 -2.578 9.535 6.303 1.00 0.00 C ATOM 1470 CE1 TYR A 102 -2.249 6.945 7.289 1.00 0.00 C ATOM 1471 CE2 TYR A 102 -1.434 9.185 7.105 1.00 0.00 C ATOM 1472 CZ TYR A 102 -1.327 7.907 7.559 1.00 0.00 C ATOM 1473 OH TYR A 102 -0.247 7.576 8.317 1.00 0.00 O ATOM 0 H TYR A 102 -6.796 9.318 3.973 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.265 7.680 6.095 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -4.726 8.371 4.237 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.671 10.004 4.871 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.141 6.550 6.259 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.688 10.543 5.931 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -2.126 5.941 7.667 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.679 9.920 7.341 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.493 6.863 8.943 1.00 0.00 H new ATOM 1483 N SER A 103 -6.441 10.793 7.050 1.00 0.00 N ATOM 1484 CA SER A 103 -6.500 11.662 8.214 1.00 0.00 C ATOM 1485 C SER A 103 -7.350 11.013 9.308 1.00 0.00 C ATOM 1486 O SER A 103 -7.117 11.239 10.495 1.00 0.00 O ATOM 1487 CB SER A 103 -7.064 13.036 7.848 1.00 0.00 C ATOM 1488 OG SER A 103 -6.574 14.060 8.708 1.00 0.00 O ATOM 0 H SER A 103 -6.673 11.247 6.167 1.00 0.00 H new ATOM 0 HA SER A 103 -5.486 11.804 8.587 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.802 13.272 6.817 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.152 13.007 7.902 1.00 0.00 H new ATOM 0 HG SER A 103 -6.956 14.922 8.441 1.00 0.00 H new ATOM 1494 N ARG A 104 -8.317 10.221 8.871 1.00 0.00 N ATOM 1495 CA ARG A 104 -9.202 9.538 9.798 1.00 0.00 C ATOM 1496 C ARG A 104 -8.403 8.596 10.700 1.00 0.00 C ATOM 1497 O ARG A 104 -8.808 8.316 11.827 1.00 0.00 O ATOM 1498 CB ARG A 104 -10.269 8.735 9.052 1.00 0.00 C ATOM 1499 CG ARG A 104 -9.655 7.515 8.363 1.00 0.00 C ATOM 1500 CD ARG A 104 -10.236 7.328 6.959 1.00 0.00 C ATOM 1501 NE ARG A 104 -11.351 6.355 6.999 1.00 0.00 N ATOM 1502 CZ ARG A 104 -11.945 5.849 5.910 1.00 0.00 C ATOM 1503 NH1 ARG A 104 -11.534 6.219 4.689 1.00 0.00 N ATOM 1504 NH2 ARG A 104 -12.950 4.972 6.041 1.00 0.00 N ATOM 0 H ARG A 104 -8.507 10.037 7.886 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.694 10.298 10.406 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.041 8.412 9.751 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.755 9.370 8.311 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.573 7.634 8.300 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -9.843 6.623 8.960 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.590 8.284 6.572 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.460 6.977 6.279 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.688 6.051 7.912 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -10.769 6.886 4.589 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -11.986 5.834 3.860 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -13.263 4.690 6.970 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -13.402 4.587 5.212 1.00 0.00 H new ATOM 1518 N PHE A 105 -7.281 8.131 10.169 1.00 0.00 N ATOM 1519 CA PHE A 105 -6.420 7.226 10.912 1.00 0.00 C ATOM 1520 C PHE A 105 -5.381 8.000 11.725 1.00 0.00 C ATOM 1521 O PHE A 105 -5.157 7.703 12.897 1.00 0.00 O ATOM 1522 CB PHE A 105 -5.699 6.351 9.885 1.00 0.00 C ATOM 1523 CG PHE A 105 -6.512 5.142 9.417 1.00 0.00 C ATOM 1524 CD1 PHE A 105 -6.562 4.019 10.181 1.00 0.00 C ATOM 1525 CD2 PHE A 105 -7.185 5.192 8.236 1.00 0.00 C ATOM 1526 CE1 PHE A 105 -7.317 2.897 9.747 1.00 0.00 C ATOM 1527 CE2 PHE A 105 -7.940 4.070 7.801 1.00 0.00 C ATOM 1528 CZ PHE A 105 -7.990 2.947 8.566 1.00 0.00 C ATOM 0 H PHE A 105 -6.949 8.364 9.233 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.015 6.632 11.606 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -5.443 6.961 9.019 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.761 6.000 10.316 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.027 3.980 11.119 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -7.145 6.084 7.629 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -7.357 2.005 10.354 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -8.474 4.109 6.863 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.564 2.094 8.236 1.00 0.00 H new