USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=14 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 HE2:sc= -0.388 K(o=-0.39,f=-1.1) USER MOD Single : A 23 LYS NZ :NH3+ 146:sc= 0.167 (180deg=-0.00748) USER MOD Single : A 25 SER OG : rot 53:sc= 0.0126 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0882 USER MOD Single : A 31 ASN : amide:sc= 0.00901 K(o=0.009,f=-2.2!) USER MOD Single : A 44 SER OG : rot 180:sc= -1.06 USER MOD Single : A 55 SER OG : rot 170:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.067 K(o=-0.067,f=-1.2) USER MOD Single : A 71 ASN : amide:sc= -0.0586 X(o=-0.059,f=-0.3) USER MOD Single : A 74 ASN : amide:sc= -1.17 K(o=-1.2,f=-2.5!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.717 USER MOD Single : A 77 HIS : no HE2:sc= -2.65 K(o=-2.6,f=-4.7!) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-2.2) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.0554 K(o=-0.055,f=-1) USER MOD Single : A 90 SER OG : rot 180:sc= 0.00628 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -7.78! C(o=-7.8!,f=-9!) USER MOD Single : A 97 TYR OH : rot 30:sc= -0.397 USER MOD Single : A 102 TYR OH : rot 52:sc= 0.264 USER MOD Single : A 103 SER OG : rot -74:sc= 0.853 USER MOD ----------------------------------------------------------------- ATOM 164 N GLU A 15 -6.324 9.421 -9.172 1.00 0.00 N ATOM 165 CA GLU A 15 -6.503 7.987 -9.322 1.00 0.00 C ATOM 166 C GLU A 15 -5.323 7.237 -8.700 1.00 0.00 C ATOM 167 O GLU A 15 -4.344 7.851 -8.280 1.00 0.00 O ATOM 168 CB GLU A 15 -6.681 7.607 -10.793 1.00 0.00 C ATOM 169 CG GLU A 15 -8.118 7.163 -11.075 1.00 0.00 C ATOM 170 CD GLU A 15 -8.287 6.749 -12.538 1.00 0.00 C ATOM 171 OE1 GLU A 15 -7.977 5.576 -12.836 1.00 0.00 O ATOM 172 OE2 GLU A 15 -8.722 7.617 -13.326 1.00 0.00 O ATOM 0 HA GLU A 15 -7.411 7.697 -8.794 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.429 8.458 -11.425 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.991 6.803 -11.051 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.379 6.328 -10.425 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.806 7.976 -10.842 1.00 0.00 H new ATOM 179 N PRO A 16 -5.458 5.884 -8.661 1.00 0.00 N ATOM 180 CA PRO A 16 -4.415 5.043 -8.098 1.00 0.00 C ATOM 181 C PRO A 16 -3.226 4.932 -9.054 1.00 0.00 C ATOM 182 O PRO A 16 -3.345 4.357 -10.135 1.00 0.00 O ATOM 183 CB PRO A 16 -5.088 3.708 -7.829 1.00 0.00 C ATOM 184 CG PRO A 16 -6.351 3.700 -8.675 1.00 0.00 C ATOM 185 CD PRO A 16 -6.603 5.121 -9.150 1.00 0.00 C ATOM 0 HA PRO A 16 -3.994 5.453 -7.180 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.433 2.879 -8.097 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.326 3.597 -6.771 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.236 3.028 -9.525 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.198 3.336 -8.093 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.675 5.168 -10.237 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.539 5.512 -8.751 1.00 0.00 H new ATOM 193 N ARG A 17 -2.105 5.490 -8.621 1.00 0.00 N ATOM 194 CA ARG A 17 -0.895 5.460 -9.425 1.00 0.00 C ATOM 195 C ARG A 17 -0.216 4.094 -9.312 1.00 0.00 C ATOM 196 O ARG A 17 -0.010 3.588 -8.210 1.00 0.00 O ATOM 197 CB ARG A 17 0.087 6.548 -8.983 1.00 0.00 C ATOM 198 CG ARG A 17 0.546 6.319 -7.542 1.00 0.00 C ATOM 199 CD ARG A 17 0.431 7.605 -6.720 1.00 0.00 C ATOM 200 NE ARG A 17 1.152 8.705 -7.397 1.00 0.00 N ATOM 201 CZ ARG A 17 0.556 9.647 -8.142 1.00 0.00 C ATOM 202 NH1 ARG A 17 -0.773 9.627 -8.310 1.00 0.00 N ATOM 203 NH2 ARG A 17 1.291 10.608 -8.720 1.00 0.00 N ATOM 0 H ARG A 17 -2.009 5.966 -7.724 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.181 5.643 -10.461 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.951 6.554 -9.647 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.387 7.526 -9.067 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.058 5.535 -7.084 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.579 5.970 -7.536 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.618 7.872 -6.592 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.844 7.448 -5.724 1.00 0.00 H new ATOM 0 HE ARG A 17 2.165 8.750 -7.290 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.332 8.895 -7.871 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.226 10.344 -8.877 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.303 10.622 -8.593 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.838 11.325 -9.287 1.00 0.00 H new ATOM 217 N LYS A 18 0.113 3.535 -10.467 1.00 0.00 N ATOM 218 CA LYS A 18 0.765 2.237 -10.512 1.00 0.00 C ATOM 219 C LYS A 18 2.218 2.384 -10.057 1.00 0.00 C ATOM 220 O LYS A 18 3.081 2.778 -10.841 1.00 0.00 O ATOM 221 CB LYS A 18 0.615 1.609 -11.899 1.00 0.00 C ATOM 222 CG LYS A 18 0.505 0.086 -11.803 1.00 0.00 C ATOM 223 CD LYS A 18 0.468 -0.549 -13.195 1.00 0.00 C ATOM 224 CE LYS A 18 0.070 -2.024 -13.113 1.00 0.00 C ATOM 225 NZ LYS A 18 -0.958 -2.341 -14.129 1.00 0.00 N ATOM 0 H LYS A 18 -0.060 3.957 -11.379 1.00 0.00 H new ATOM 0 HA LYS A 18 0.283 1.545 -9.821 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.271 2.011 -12.390 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.471 1.877 -12.518 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.352 -0.309 -11.241 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.396 -0.183 -11.252 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.241 -0.012 -13.825 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.447 -0.458 -13.666 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.947 -2.652 -13.266 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.313 -2.249 -12.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.217 -3.346 -14.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.801 -1.754 -13.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.580 -2.146 -15.078 1.00 0.00 H new ATOM 239 N ILE A 19 2.445 2.061 -8.792 1.00 0.00 N ATOM 240 CA ILE A 19 3.779 2.153 -8.224 1.00 0.00 C ATOM 241 C ILE A 19 4.436 0.772 -8.251 1.00 0.00 C ATOM 242 O ILE A 19 3.775 -0.239 -8.018 1.00 0.00 O ATOM 243 CB ILE A 19 3.725 2.781 -6.830 1.00 0.00 C ATOM 244 CG1 ILE A 19 2.948 4.099 -6.852 1.00 0.00 C ATOM 245 CG2 ILE A 19 5.131 2.955 -6.252 1.00 0.00 C ATOM 246 CD1 ILE A 19 1.916 4.146 -5.723 1.00 0.00 C ATOM 0 H ILE A 19 1.727 1.735 -8.145 1.00 0.00 H new ATOM 0 HA ILE A 19 4.404 2.816 -8.823 1.00 0.00 H new ATOM 0 HB ILE A 19 3.187 2.101 -6.170 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.640 4.935 -6.752 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.447 4.214 -7.813 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.064 3.403 -5.261 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.617 1.982 -6.178 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.715 3.604 -6.905 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.378 5.093 -5.761 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.211 3.323 -5.840 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.423 4.056 -4.762 1.00 0.00 H new ATOM 258 N ILE A 20 5.730 0.772 -8.536 1.00 0.00 N ATOM 259 CA ILE A 20 6.484 -0.468 -8.596 1.00 0.00 C ATOM 260 C ILE A 20 7.685 -0.376 -7.653 1.00 0.00 C ATOM 261 O ILE A 20 8.749 0.102 -8.042 1.00 0.00 O ATOM 262 CB ILE A 20 6.861 -0.796 -10.042 1.00 0.00 C ATOM 263 CG1 ILE A 20 5.699 -1.471 -10.773 1.00 0.00 C ATOM 264 CG2 ILE A 20 8.139 -1.636 -10.099 1.00 0.00 C ATOM 265 CD1 ILE A 20 5.705 -1.115 -12.261 1.00 0.00 C ATOM 0 H ILE A 20 6.276 1.612 -8.728 1.00 0.00 H new ATOM 0 HA ILE A 20 5.873 -1.303 -8.253 1.00 0.00 H new ATOM 0 HB ILE A 20 7.067 0.140 -10.561 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.769 -2.552 -10.654 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.755 -1.162 -10.325 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.384 -1.855 -11.138 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.959 -1.082 -9.641 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.985 -2.570 -9.558 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.869 -1.608 -12.756 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.610 -0.035 -12.377 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.640 -1.448 -12.711 1.00 0.00 H new ATOM 277 N LEU A 21 7.474 -0.842 -6.431 1.00 0.00 N ATOM 278 CA LEU A 21 8.526 -0.819 -5.429 1.00 0.00 C ATOM 279 C LEU A 21 9.380 -2.081 -5.562 1.00 0.00 C ATOM 280 O LEU A 21 8.851 -3.174 -5.757 1.00 0.00 O ATOM 281 CB LEU A 21 7.932 -0.623 -4.033 1.00 0.00 C ATOM 282 CG LEU A 21 7.213 0.706 -3.790 1.00 0.00 C ATOM 283 CD1 LEU A 21 7.812 1.819 -4.651 1.00 0.00 C ATOM 284 CD2 LEU A 21 5.705 0.561 -4.007 1.00 0.00 C ATOM 0 H LEU A 21 6.590 -1.238 -6.112 1.00 0.00 H new ATOM 0 HA LEU A 21 9.187 0.032 -5.591 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.229 -1.434 -3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.735 -0.718 -3.302 1.00 0.00 H new ATOM 0 HG LEU A 21 7.362 0.990 -2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.283 2.752 -4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.867 1.942 -4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.714 1.557 -5.704 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.218 1.519 -3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.514 0.243 -5.032 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.308 -0.183 -3.316 1.00 0.00 H new ATOM 296 N HIS A 22 10.686 -1.888 -5.452 1.00 0.00 N ATOM 297 CA HIS A 22 11.618 -2.997 -5.558 1.00 0.00 C ATOM 298 C HIS A 22 12.122 -3.379 -4.165 1.00 0.00 C ATOM 299 O HIS A 22 13.059 -2.769 -3.652 1.00 0.00 O ATOM 300 CB HIS A 22 12.753 -2.663 -6.529 1.00 0.00 C ATOM 301 CG HIS A 22 12.306 -2.494 -7.961 1.00 0.00 C ATOM 302 ND1 HIS A 22 12.742 -3.318 -8.984 1.00 0.00 N ATOM 303 CD2 HIS A 22 11.458 -1.590 -8.530 1.00 0.00 C ATOM 304 CE1 HIS A 22 12.176 -2.918 -10.113 1.00 0.00 C ATOM 305 NE2 HIS A 22 11.381 -1.846 -9.830 1.00 0.00 N ATOM 0 H HIS A 22 11.121 -0.980 -5.290 1.00 0.00 H new ATOM 0 HA HIS A 22 11.108 -3.867 -5.973 1.00 0.00 H new ATOM 0 HB2 HIS A 22 13.240 -1.745 -6.200 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.501 -3.455 -6.484 1.00 0.00 H new ATOM 0 HD1 HIS A 22 13.389 -4.100 -8.885 1.00 0.00 H new ATOM 0 HD2 HIS A 22 10.937 -0.799 -8.010 1.00 0.00 H new ATOM 0 HE1 HIS A 22 12.319 -3.363 -11.087 1.00 0.00 H new ATOM 313 N LYS A 23 11.479 -4.386 -3.593 1.00 0.00 N ATOM 314 CA LYS A 23 11.850 -4.855 -2.269 1.00 0.00 C ATOM 315 C LYS A 23 13.375 -4.882 -2.152 1.00 0.00 C ATOM 316 O LYS A 23 14.036 -5.702 -2.787 1.00 0.00 O ATOM 317 CB LYS A 23 11.187 -6.202 -1.973 1.00 0.00 C ATOM 318 CG LYS A 23 9.881 -6.012 -1.198 1.00 0.00 C ATOM 319 CD LYS A 23 9.599 -7.215 -0.296 1.00 0.00 C ATOM 320 CE LYS A 23 8.513 -8.109 -0.898 1.00 0.00 C ATOM 321 NZ LYS A 23 8.944 -9.525 -0.889 1.00 0.00 N ATOM 0 H LYS A 23 10.703 -4.890 -4.022 1.00 0.00 H new ATOM 0 HA LYS A 23 11.483 -4.170 -1.505 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.986 -6.726 -2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.868 -6.828 -1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.941 -5.106 -0.594 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.056 -5.876 -1.897 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.513 -7.792 -0.156 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.286 -6.870 0.689 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.589 -8.000 -0.331 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.299 -7.794 -1.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.119 -10.138 -0.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.383 -9.760 -1.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.634 -9.673 -0.125 1.00 0.00 H new ATOM 335 N GLY A 24 13.890 -3.975 -1.334 1.00 0.00 N ATOM 336 CA GLY A 24 15.325 -3.885 -1.125 1.00 0.00 C ATOM 337 C GLY A 24 15.818 -5.006 -0.209 1.00 0.00 C ATOM 338 O GLY A 24 16.606 -5.853 -0.627 1.00 0.00 O ATOM 0 H GLY A 24 13.339 -3.296 -0.808 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.840 -3.942 -2.084 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.572 -2.918 -0.687 1.00 0.00 H new ATOM 342 N SER A 25 15.333 -4.976 1.024 1.00 0.00 N ATOM 343 CA SER A 25 15.714 -5.980 2.003 1.00 0.00 C ATOM 344 C SER A 25 14.783 -5.909 3.215 1.00 0.00 C ATOM 345 O SER A 25 14.232 -6.923 3.639 1.00 0.00 O ATOM 346 CB SER A 25 17.169 -5.798 2.440 1.00 0.00 C ATOM 347 OG SER A 25 18.005 -6.848 1.960 1.00 0.00 O ATOM 0 H SER A 25 14.680 -4.272 1.367 1.00 0.00 H new ATOM 0 HA SER A 25 15.622 -6.962 1.539 1.00 0.00 H new ATOM 0 HB2 SER A 25 17.541 -4.842 2.073 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.219 -5.763 3.528 1.00 0.00 H new ATOM 0 HG SER A 25 17.891 -6.940 0.991 1.00 0.00 H new ATOM 353 N THR A 26 14.636 -4.700 3.738 1.00 0.00 N ATOM 354 CA THR A 26 13.781 -4.483 4.892 1.00 0.00 C ATOM 355 C THR A 26 12.317 -4.740 4.528 1.00 0.00 C ATOM 356 O THR A 26 11.606 -5.435 5.253 1.00 0.00 O ATOM 357 CB THR A 26 14.038 -3.068 5.412 1.00 0.00 C ATOM 358 OG1 THR A 26 13.774 -2.232 4.289 1.00 0.00 O ATOM 359 CG2 THR A 26 15.515 -2.817 5.723 1.00 0.00 C ATOM 0 H THR A 26 15.095 -3.861 3.383 1.00 0.00 H new ATOM 0 HA THR A 26 14.012 -5.186 5.692 1.00 0.00 H new ATOM 0 HB THR A 26 13.444 -2.899 6.310 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.915 -1.295 4.539 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.642 -1.798 6.089 1.00 0.00 H new ATOM 0 HG22 THR A 26 15.851 -3.520 6.485 1.00 0.00 H new ATOM 0 HG23 THR A 26 16.106 -2.954 4.817 1.00 0.00 H new ATOM 367 N GLY A 27 11.910 -4.166 3.405 1.00 0.00 N ATOM 368 CA GLY A 27 10.545 -4.324 2.936 1.00 0.00 C ATOM 369 C GLY A 27 10.284 -3.456 1.704 1.00 0.00 C ATOM 370 O GLY A 27 11.162 -3.294 0.857 1.00 0.00 O ATOM 0 H GLY A 27 12.503 -3.591 2.806 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.359 -5.370 2.694 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.850 -4.052 3.731 1.00 0.00 H new ATOM 374 N LEU A 28 9.074 -2.919 1.642 1.00 0.00 N ATOM 375 CA LEU A 28 8.687 -2.072 0.527 1.00 0.00 C ATOM 376 C LEU A 28 8.942 -0.608 0.893 1.00 0.00 C ATOM 377 O LEU A 28 8.849 0.274 0.040 1.00 0.00 O ATOM 378 CB LEU A 28 7.243 -2.359 0.112 1.00 0.00 C ATOM 379 CG LEU A 28 7.039 -3.552 -0.824 1.00 0.00 C ATOM 380 CD1 LEU A 28 5.561 -3.723 -1.180 1.00 0.00 C ATOM 381 CD2 LEU A 28 7.918 -3.429 -2.070 1.00 0.00 C ATOM 0 H LEU A 28 8.349 -3.054 2.346 1.00 0.00 H new ATOM 0 HA LEU A 28 9.296 -2.294 -0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.653 -2.525 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.841 -1.469 -0.373 1.00 0.00 H new ATOM 0 HG LEU A 28 7.350 -4.455 -0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.444 -4.578 -1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.985 -3.890 -0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.200 -2.823 -1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.753 -4.290 -2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.662 -2.516 -2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.966 -3.393 -1.774 1.00 0.00 H new ATOM 393 N GLY A 29 9.260 -0.395 2.161 1.00 0.00 N ATOM 394 CA GLY A 29 9.529 0.947 2.650 1.00 0.00 C ATOM 395 C GLY A 29 8.229 1.723 2.866 1.00 0.00 C ATOM 396 O GLY A 29 8.140 2.900 2.519 1.00 0.00 O ATOM 0 H GLY A 29 9.338 -1.129 2.865 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.084 0.892 3.587 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.159 1.478 1.937 1.00 0.00 H new ATOM 400 N PHE A 30 7.252 1.033 3.437 1.00 0.00 N ATOM 401 CA PHE A 30 5.961 1.643 3.702 1.00 0.00 C ATOM 402 C PHE A 30 5.026 0.661 4.410 1.00 0.00 C ATOM 403 O PHE A 30 5.117 -0.548 4.203 1.00 0.00 O ATOM 404 CB PHE A 30 5.356 2.019 2.348 1.00 0.00 C ATOM 405 CG PHE A 30 4.687 0.851 1.620 1.00 0.00 C ATOM 406 CD1 PHE A 30 3.547 0.303 2.119 1.00 0.00 C ATOM 407 CD2 PHE A 30 5.232 0.362 0.474 1.00 0.00 C ATOM 408 CE1 PHE A 30 2.926 -0.781 1.444 1.00 0.00 C ATOM 409 CE2 PHE A 30 4.611 -0.722 -0.201 1.00 0.00 C ATOM 410 CZ PHE A 30 3.471 -1.270 0.298 1.00 0.00 C ATOM 0 H PHE A 30 7.329 0.057 3.723 1.00 0.00 H new ATOM 0 HA PHE A 30 6.086 2.513 4.346 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.621 2.810 2.497 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.141 2.429 1.712 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.114 0.692 3.029 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.137 0.798 0.077 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.021 -1.217 1.841 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.044 -1.111 -1.111 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.998 -2.094 -0.216 1.00 0.00 H new ATOM 420 N ASN A 31 4.147 1.217 5.232 1.00 0.00 N ATOM 421 CA ASN A 31 3.196 0.405 5.971 1.00 0.00 C ATOM 422 C ASN A 31 1.805 0.566 5.354 1.00 0.00 C ATOM 423 O ASN A 31 1.610 1.392 4.463 1.00 0.00 O ATOM 424 CB ASN A 31 3.117 0.845 7.435 1.00 0.00 C ATOM 425 CG ASN A 31 3.236 -0.356 8.375 1.00 0.00 C ATOM 426 OD1 ASN A 31 2.684 -1.419 8.140 1.00 0.00 O ATOM 427 ND2 ASN A 31 3.985 -0.129 9.450 1.00 0.00 N ATOM 0 H ASN A 31 4.074 2.220 5.402 1.00 0.00 H new ATOM 0 HA ASN A 31 3.529 -0.632 5.923 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.913 1.558 7.648 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.173 1.359 7.614 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.126 -0.868 10.139 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.419 0.784 9.586 1.00 0.00 H new ATOM 434 N ILE A 32 0.875 -0.235 5.852 1.00 0.00 N ATOM 435 CA ILE A 32 -0.491 -0.192 5.360 1.00 0.00 C ATOM 436 C ILE A 32 -1.454 -0.132 6.547 1.00 0.00 C ATOM 437 O ILE A 32 -1.089 -0.489 7.666 1.00 0.00 O ATOM 438 CB ILE A 32 -0.757 -1.362 4.411 1.00 0.00 C ATOM 439 CG1 ILE A 32 -0.333 -2.689 5.045 1.00 0.00 C ATOM 440 CG2 ILE A 32 -0.084 -1.133 3.056 1.00 0.00 C ATOM 441 CD1 ILE A 32 -1.199 -3.842 4.534 1.00 0.00 C ATOM 0 H ILE A 32 1.041 -0.918 6.591 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.655 0.710 4.770 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.831 -1.419 4.231 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.714 -2.887 4.817 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.415 -2.621 6.130 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.289 -1.979 2.400 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.476 -0.221 2.605 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.992 -1.035 3.196 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.877 -4.773 5.000 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.243 -3.652 4.785 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.095 -3.923 3.452 1.00 0.00 H new ATOM 453 N VAL A 33 -2.666 0.322 6.263 1.00 0.00 N ATOM 454 CA VAL A 33 -3.684 0.434 7.293 1.00 0.00 C ATOM 455 C VAL A 33 -5.048 0.078 6.698 1.00 0.00 C ATOM 456 O VAL A 33 -5.156 -0.188 5.502 1.00 0.00 O ATOM 457 CB VAL A 33 -3.650 1.832 7.914 1.00 0.00 C ATOM 458 CG1 VAL A 33 -2.216 2.248 8.248 1.00 0.00 C ATOM 459 CG2 VAL A 33 -4.319 2.856 6.996 1.00 0.00 C ATOM 0 H VAL A 33 -2.966 0.617 5.334 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.487 -0.271 8.101 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.215 1.799 8.846 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.220 3.245 8.688 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.788 1.540 8.957 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.618 2.256 7.337 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.281 3.841 7.461 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.795 2.885 6.041 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.358 2.572 6.831 1.00 0.00 H new ATOM 469 N GLY A 34 -6.055 0.084 7.559 1.00 0.00 N ATOM 470 CA GLY A 34 -7.407 -0.234 7.133 1.00 0.00 C ATOM 471 C GLY A 34 -7.689 -1.731 7.281 1.00 0.00 C ATOM 472 O GLY A 34 -6.984 -2.431 8.006 1.00 0.00 O ATOM 0 H GLY A 34 -5.961 0.304 8.551 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.123 0.335 7.726 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.545 0.065 6.094 1.00 0.00 H new ATOM 476 N GLY A 35 -8.723 -2.177 6.582 1.00 0.00 N ATOM 477 CA GLY A 35 -9.107 -3.577 6.626 1.00 0.00 C ATOM 478 C GLY A 35 -10.239 -3.803 7.630 1.00 0.00 C ATOM 479 O GLY A 35 -10.511 -4.938 8.020 1.00 0.00 O ATOM 0 H GLY A 35 -9.306 -1.593 5.982 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.424 -3.902 5.635 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.246 -4.186 6.901 1.00 0.00 H new ATOM 483 N GLU A 36 -10.869 -2.705 8.021 1.00 0.00 N ATOM 484 CA GLU A 36 -11.966 -2.769 8.972 1.00 0.00 C ATOM 485 C GLU A 36 -13.285 -2.412 8.286 1.00 0.00 C ATOM 486 O GLU A 36 -13.381 -1.387 7.612 1.00 0.00 O ATOM 487 CB GLU A 36 -11.706 -1.854 10.171 1.00 0.00 C ATOM 488 CG GLU A 36 -10.687 -2.479 11.126 1.00 0.00 C ATOM 489 CD GLU A 36 -11.134 -2.325 12.582 1.00 0.00 C ATOM 490 OE1 GLU A 36 -10.956 -1.208 13.114 1.00 0.00 O ATOM 491 OE2 GLU A 36 -11.644 -3.326 13.128 1.00 0.00 O ATOM 0 H GLU A 36 -10.641 -1.765 7.696 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.038 -3.791 9.345 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.339 -0.888 9.823 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -12.640 -1.668 10.701 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.562 -3.536 10.890 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.715 -2.005 10.988 1.00 0.00 H new ATOM 498 N ASP A 37 -14.270 -3.277 8.481 1.00 0.00 N ATOM 499 CA ASP A 37 -15.580 -3.065 7.889 1.00 0.00 C ATOM 500 C ASP A 37 -15.414 -2.671 6.420 1.00 0.00 C ATOM 501 O ASP A 37 -16.190 -1.873 5.896 1.00 0.00 O ATOM 502 CB ASP A 37 -16.330 -1.936 8.600 1.00 0.00 C ATOM 503 CG ASP A 37 -17.074 -2.354 9.869 1.00 0.00 C ATOM 504 OD1 ASP A 37 -16.775 -3.462 10.364 1.00 0.00 O ATOM 505 OD2 ASP A 37 -17.926 -1.555 10.316 1.00 0.00 O ATOM 0 H ASP A 37 -14.187 -4.126 9.041 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.147 -3.991 7.985 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -15.618 -1.152 8.856 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -17.047 -1.501 7.903 1.00 0.00 H new ATOM 510 N GLY A 38 -14.397 -3.248 5.797 1.00 0.00 N ATOM 511 CA GLY A 38 -14.119 -2.967 4.399 1.00 0.00 C ATOM 512 C GLY A 38 -14.192 -1.465 4.116 1.00 0.00 C ATOM 513 O GLY A 38 -14.917 -1.032 3.221 1.00 0.00 O ATOM 0 H GLY A 38 -13.755 -3.909 6.235 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.129 -3.342 4.139 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.835 -3.495 3.769 1.00 0.00 H new ATOM 517 N GLU A 39 -13.432 -0.710 4.897 1.00 0.00 N ATOM 518 CA GLU A 39 -13.402 0.734 4.742 1.00 0.00 C ATOM 519 C GLU A 39 -12.400 1.131 3.656 1.00 0.00 C ATOM 520 O GLU A 39 -12.605 2.114 2.946 1.00 0.00 O ATOM 521 CB GLU A 39 -13.073 1.421 6.069 1.00 0.00 C ATOM 522 CG GLU A 39 -11.632 1.130 6.494 1.00 0.00 C ATOM 523 CD GLU A 39 -11.536 0.944 8.010 1.00 0.00 C ATOM 524 OE1 GLU A 39 -12.577 1.139 8.674 1.00 0.00 O ATOM 525 OE2 GLU A 39 -10.422 0.610 8.471 1.00 0.00 O ATOM 0 H GLU A 39 -12.833 -1.072 5.639 1.00 0.00 H new ATOM 0 HA GLU A 39 -14.393 1.067 4.434 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.217 2.497 5.971 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.761 1.076 6.841 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.274 0.232 5.990 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.984 1.950 6.183 1.00 0.00 H new ATOM 532 N GLY A 40 -11.338 0.345 3.560 1.00 0.00 N ATOM 533 CA GLY A 40 -10.303 0.602 2.573 1.00 0.00 C ATOM 534 C GLY A 40 -8.911 0.362 3.162 1.00 0.00 C ATOM 535 O GLY A 40 -8.784 -0.114 4.289 1.00 0.00 O ATOM 0 H GLY A 40 -11.172 -0.470 4.150 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.452 -0.044 1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.380 1.630 2.220 1.00 0.00 H new ATOM 539 N ILE A 41 -7.903 0.702 2.372 1.00 0.00 N ATOM 540 CA ILE A 41 -6.526 0.530 2.801 1.00 0.00 C ATOM 541 C ILE A 41 -5.740 1.809 2.506 1.00 0.00 C ATOM 542 O ILE A 41 -5.934 2.434 1.464 1.00 0.00 O ATOM 543 CB ILE A 41 -5.920 -0.724 2.167 1.00 0.00 C ATOM 544 CG1 ILE A 41 -6.817 -1.942 2.396 1.00 0.00 C ATOM 545 CG2 ILE A 41 -4.494 -0.960 2.671 1.00 0.00 C ATOM 546 CD1 ILE A 41 -6.519 -2.597 3.746 1.00 0.00 C ATOM 0 H ILE A 41 -8.013 1.096 1.437 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.480 0.369 3.878 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.859 -0.566 1.090 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.864 -1.640 2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.665 -2.666 1.595 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.087 -1.857 2.205 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.871 -0.103 2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.507 -1.088 3.753 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.170 -3.460 3.883 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.478 -2.920 3.772 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.696 -1.878 4.546 1.00 0.00 H new ATOM 558 N PHE A 42 -4.870 2.160 3.441 1.00 0.00 N ATOM 559 CA PHE A 42 -4.054 3.353 3.294 1.00 0.00 C ATOM 560 C PHE A 42 -2.683 3.164 3.945 1.00 0.00 C ATOM 561 O PHE A 42 -2.543 2.395 4.895 1.00 0.00 O ATOM 562 CB PHE A 42 -4.791 4.489 4.006 1.00 0.00 C ATOM 563 CG PHE A 42 -6.122 4.871 3.356 1.00 0.00 C ATOM 564 CD1 PHE A 42 -7.197 4.045 3.470 1.00 0.00 C ATOM 565 CD2 PHE A 42 -6.232 6.037 2.664 1.00 0.00 C ATOM 566 CE1 PHE A 42 -8.432 4.399 2.867 1.00 0.00 C ATOM 567 CE2 PHE A 42 -7.467 6.391 2.061 1.00 0.00 C ATOM 568 CZ PHE A 42 -8.542 5.565 2.175 1.00 0.00 C ATOM 0 H PHE A 42 -4.712 1.639 4.304 1.00 0.00 H new ATOM 0 HA PHE A 42 -3.897 3.568 2.237 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.974 4.198 5.040 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.146 5.367 4.032 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.111 3.119 4.020 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.379 6.694 2.573 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.285 3.742 2.958 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.553 7.317 1.511 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.482 5.835 1.717 1.00 0.00 H new ATOM 578 N VAL A 43 -1.704 3.878 3.408 1.00 0.00 N ATOM 579 CA VAL A 43 -0.349 3.798 3.925 1.00 0.00 C ATOM 580 C VAL A 43 -0.302 4.424 5.321 1.00 0.00 C ATOM 581 O VAL A 43 -0.871 5.491 5.546 1.00 0.00 O ATOM 582 CB VAL A 43 0.625 4.453 2.943 1.00 0.00 C ATOM 583 CG1 VAL A 43 1.978 4.717 3.608 1.00 0.00 C ATOM 584 CG2 VAL A 43 0.790 3.600 1.684 1.00 0.00 C ATOM 0 H VAL A 43 -1.823 4.515 2.620 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.039 2.758 4.025 1.00 0.00 H new ATOM 0 HB VAL A 43 0.205 5.413 2.644 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.652 5.183 2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.841 5.382 4.461 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.406 3.774 3.949 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.487 4.088 1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.177 2.618 1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.176 3.485 1.193 1.00 0.00 H new ATOM 594 N SER A 44 0.382 3.733 6.221 1.00 0.00 N ATOM 595 CA SER A 44 0.510 4.208 7.588 1.00 0.00 C ATOM 596 C SER A 44 1.818 4.986 7.752 1.00 0.00 C ATOM 597 O SER A 44 1.901 5.902 8.569 1.00 0.00 O ATOM 598 CB SER A 44 0.457 3.046 8.582 1.00 0.00 C ATOM 599 OG SER A 44 1.717 2.819 9.206 1.00 0.00 O ATOM 0 H SER A 44 0.853 2.849 6.030 1.00 0.00 H new ATOM 0 HA SER A 44 -0.329 4.871 7.799 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.293 3.256 9.345 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.141 2.140 8.064 1.00 0.00 H new ATOM 0 HG SER A 44 1.641 2.071 9.834 1.00 0.00 H new ATOM 605 N PHE A 45 2.806 4.593 6.961 1.00 0.00 N ATOM 606 CA PHE A 45 4.105 5.242 7.008 1.00 0.00 C ATOM 607 C PHE A 45 4.953 4.858 5.794 1.00 0.00 C ATOM 608 O PHE A 45 4.637 3.902 5.088 1.00 0.00 O ATOM 609 CB PHE A 45 4.803 4.755 8.278 1.00 0.00 C ATOM 610 CG PHE A 45 6.292 5.101 8.342 1.00 0.00 C ATOM 611 CD1 PHE A 45 6.685 6.341 8.737 1.00 0.00 C ATOM 612 CD2 PHE A 45 7.222 4.168 8.005 1.00 0.00 C ATOM 613 CE1 PHE A 45 8.067 6.663 8.796 1.00 0.00 C ATOM 614 CE2 PHE A 45 8.604 4.489 8.064 1.00 0.00 C ATOM 615 CZ PHE A 45 8.997 5.730 8.458 1.00 0.00 C ATOM 0 H PHE A 45 2.733 3.833 6.284 1.00 0.00 H new ATOM 0 HA PHE A 45 3.981 6.325 7.003 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.302 5.188 9.144 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.688 3.674 8.351 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.946 7.081 9.006 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.909 3.183 7.692 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.379 7.648 9.109 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.343 3.748 7.796 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.048 5.975 8.502 1.00 0.00 H new ATOM 625 N ILE A 46 6.015 5.624 5.588 1.00 0.00 N ATOM 626 CA ILE A 46 6.912 5.376 4.472 1.00 0.00 C ATOM 627 C ILE A 46 8.360 5.479 4.954 1.00 0.00 C ATOM 628 O ILE A 46 8.797 6.540 5.396 1.00 0.00 O ATOM 629 CB ILE A 46 6.584 6.309 3.304 1.00 0.00 C ATOM 630 CG1 ILE A 46 5.169 6.057 2.781 1.00 0.00 C ATOM 631 CG2 ILE A 46 7.634 6.190 2.197 1.00 0.00 C ATOM 632 CD1 ILE A 46 5.202 5.306 1.448 1.00 0.00 C ATOM 0 H ILE A 46 6.274 6.417 6.175 1.00 0.00 H new ATOM 0 HA ILE A 46 6.775 4.364 4.090 1.00 0.00 H new ATOM 0 HB ILE A 46 6.614 7.336 3.668 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.604 5.480 3.513 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.650 7.007 2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.378 6.863 1.379 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.613 6.458 2.594 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.660 5.164 1.829 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.183 5.140 1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.746 5.896 0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.700 4.346 1.583 1.00 0.00 H new ATOM 644 N LEU A 47 9.065 4.361 4.853 1.00 0.00 N ATOM 645 CA LEU A 47 10.455 4.312 5.273 1.00 0.00 C ATOM 646 C LEU A 47 11.243 5.400 4.541 1.00 0.00 C ATOM 647 O LEU A 47 10.878 5.798 3.435 1.00 0.00 O ATOM 648 CB LEU A 47 11.024 2.905 5.081 1.00 0.00 C ATOM 649 CG LEU A 47 12.480 2.707 5.504 1.00 0.00 C ATOM 650 CD1 LEU A 47 12.566 2.135 6.921 1.00 0.00 C ATOM 651 CD2 LEU A 47 13.233 1.843 4.491 1.00 0.00 C ATOM 0 H LEU A 47 8.699 3.482 4.486 1.00 0.00 H new ATOM 0 HA LEU A 47 10.538 4.521 6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.405 2.205 5.642 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.933 2.638 4.028 1.00 0.00 H new ATOM 0 HG LEU A 47 12.967 3.682 5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.612 2.004 7.198 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.089 2.822 7.620 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.058 1.171 6.956 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.266 1.718 4.816 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.755 0.866 4.419 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.216 2.328 3.515 1.00 0.00 H new ATOM 663 N ALA A 48 12.309 5.849 5.186 1.00 0.00 N ATOM 664 CA ALA A 48 13.152 6.883 4.609 1.00 0.00 C ATOM 665 C ALA A 48 14.306 6.228 3.847 1.00 0.00 C ATOM 666 O ALA A 48 15.206 5.649 4.453 1.00 0.00 O ATOM 667 CB ALA A 48 13.642 7.819 5.717 1.00 0.00 C ATOM 0 H ALA A 48 12.609 5.516 6.102 1.00 0.00 H new ATOM 0 HA ALA A 48 12.588 7.486 3.898 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.274 8.595 5.285 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.786 8.281 6.208 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.215 7.249 6.448 1.00 0.00 H new ATOM 673 N GLY A 49 14.241 6.341 2.528 1.00 0.00 N ATOM 674 CA GLY A 49 15.268 5.767 1.676 1.00 0.00 C ATOM 675 C GLY A 49 14.767 4.492 0.996 1.00 0.00 C ATOM 676 O GLY A 49 15.440 3.943 0.124 1.00 0.00 O ATOM 0 H GLY A 49 13.493 6.822 2.029 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.566 6.493 0.920 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.154 5.543 2.270 1.00 0.00 H new ATOM 680 N GLY A 50 13.590 4.056 1.420 1.00 0.00 N ATOM 681 CA GLY A 50 12.991 2.856 0.863 1.00 0.00 C ATOM 682 C GLY A 50 12.575 3.075 -0.593 1.00 0.00 C ATOM 683 O GLY A 50 12.798 4.149 -1.151 1.00 0.00 O ATOM 0 H GLY A 50 13.035 4.513 2.143 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.700 2.030 0.922 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.121 2.572 1.455 1.00 0.00 H new ATOM 687 N PRO A 51 11.962 2.014 -1.182 1.00 0.00 N ATOM 688 CA PRO A 51 11.513 2.080 -2.563 1.00 0.00 C ATOM 689 C PRO A 51 10.244 2.925 -2.686 1.00 0.00 C ATOM 690 O PRO A 51 10.051 3.621 -3.682 1.00 0.00 O ATOM 691 CB PRO A 51 11.306 0.633 -2.979 1.00 0.00 C ATOM 692 CG PRO A 51 11.198 -0.161 -1.687 1.00 0.00 C ATOM 693 CD PRO A 51 11.682 0.727 -0.552 1.00 0.00 C ATOM 0 HA PRO A 51 12.235 2.569 -3.218 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.403 0.525 -3.580 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.138 0.278 -3.587 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.168 -0.472 -1.515 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.800 -1.068 -1.745 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.925 0.823 0.226 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.574 0.315 -0.080 1.00 0.00 H new ATOM 701 N ALA A 52 9.411 2.837 -1.660 1.00 0.00 N ATOM 702 CA ALA A 52 8.165 3.586 -1.641 1.00 0.00 C ATOM 703 C ALA A 52 8.471 5.073 -1.453 1.00 0.00 C ATOM 704 O ALA A 52 7.654 5.926 -1.795 1.00 0.00 O ATOM 705 CB ALA A 52 7.255 3.035 -0.541 1.00 0.00 C ATOM 0 H ALA A 52 9.574 2.259 -0.836 1.00 0.00 H new ATOM 0 HA ALA A 52 7.637 3.475 -2.588 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.321 3.596 -0.526 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.044 1.984 -0.736 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.752 3.132 0.424 1.00 0.00 H new ATOM 711 N ASP A 53 9.651 5.338 -0.911 1.00 0.00 N ATOM 712 CA ASP A 53 10.075 6.707 -0.674 1.00 0.00 C ATOM 713 C ASP A 53 10.951 7.174 -1.838 1.00 0.00 C ATOM 714 O ASP A 53 10.689 8.215 -2.438 1.00 0.00 O ATOM 715 CB ASP A 53 10.899 6.814 0.610 1.00 0.00 C ATOM 716 CG ASP A 53 11.471 8.204 0.898 1.00 0.00 C ATOM 717 OD1 ASP A 53 11.707 8.935 -0.088 1.00 0.00 O ATOM 718 OD2 ASP A 53 11.661 8.502 2.097 1.00 0.00 O ATOM 0 H ASP A 53 10.326 4.627 -0.629 1.00 0.00 H new ATOM 0 HA ASP A 53 9.182 7.325 -0.582 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.274 6.514 1.451 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.723 6.103 0.555 1.00 0.00 H new ATOM 723 N LEU A 54 11.973 6.381 -2.123 1.00 0.00 N ATOM 724 CA LEU A 54 12.889 6.700 -3.205 1.00 0.00 C ATOM 725 C LEU A 54 12.094 6.908 -4.495 1.00 0.00 C ATOM 726 O LEU A 54 12.216 7.947 -5.143 1.00 0.00 O ATOM 727 CB LEU A 54 13.977 5.630 -3.318 1.00 0.00 C ATOM 728 CG LEU A 54 15.059 5.656 -2.236 1.00 0.00 C ATOM 729 CD1 LEU A 54 16.157 4.634 -2.534 1.00 0.00 C ATOM 730 CD2 LEU A 54 15.622 7.067 -2.058 1.00 0.00 C ATOM 0 H LEU A 54 12.187 5.518 -1.623 1.00 0.00 H new ATOM 0 HA LEU A 54 13.413 7.634 -2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.499 4.651 -3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.460 5.733 -4.290 1.00 0.00 H new ATOM 0 HG LEU A 54 14.602 5.370 -1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 54 16.913 4.673 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 54 15.724 3.635 -2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 54 16.618 4.865 -3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.389 7.058 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.059 7.406 -2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 54 14.820 7.745 -1.766 1.00 0.00 H new ATOM 742 N SER A 55 11.298 5.903 -4.831 1.00 0.00 N ATOM 743 CA SER A 55 10.484 5.963 -6.033 1.00 0.00 C ATOM 744 C SER A 55 9.964 7.387 -6.242 1.00 0.00 C ATOM 745 O SER A 55 9.914 7.874 -7.371 1.00 0.00 O ATOM 746 CB SER A 55 9.316 4.978 -5.957 1.00 0.00 C ATOM 747 OG SER A 55 8.425 5.120 -7.059 1.00 0.00 O ATOM 0 H SER A 55 11.200 5.043 -4.292 1.00 0.00 H new ATOM 0 HA SER A 55 11.107 5.682 -6.882 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.702 3.959 -5.932 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.770 5.135 -5.027 1.00 0.00 H new ATOM 0 HG SER A 55 7.788 4.376 -7.062 1.00 0.00 H new ATOM 753 N GLY A 56 9.590 8.014 -5.137 1.00 0.00 N ATOM 754 CA GLY A 56 9.075 9.373 -5.185 1.00 0.00 C ATOM 755 C GLY A 56 7.578 9.381 -5.499 1.00 0.00 C ATOM 756 O GLY A 56 6.999 10.436 -5.756 1.00 0.00 O ATOM 0 H GLY A 56 9.633 7.607 -4.203 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.252 9.867 -4.230 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.612 9.943 -5.943 1.00 0.00 H new ATOM 760 N GLU A 57 6.992 8.193 -5.467 1.00 0.00 N ATOM 761 CA GLU A 57 5.573 8.050 -5.745 1.00 0.00 C ATOM 762 C GLU A 57 4.797 7.833 -4.444 1.00 0.00 C ATOM 763 O GLU A 57 4.045 8.706 -4.013 1.00 0.00 O ATOM 764 CB GLU A 57 5.320 6.908 -6.731 1.00 0.00 C ATOM 765 CG GLU A 57 6.047 7.155 -8.054 1.00 0.00 C ATOM 766 CD GLU A 57 5.080 7.665 -9.125 1.00 0.00 C ATOM 767 OE1 GLU A 57 4.366 8.646 -8.824 1.00 0.00 O ATOM 768 OE2 GLU A 57 5.077 7.063 -10.220 1.00 0.00 O ATOM 0 H GLU A 57 7.474 7.320 -5.253 1.00 0.00 H new ATOM 0 HA GLU A 57 5.218 8.971 -6.208 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.657 5.967 -6.297 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.250 6.810 -6.913 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.845 7.882 -7.904 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.516 6.231 -8.393 1.00 0.00 H new ATOM 775 N LEU A 58 5.006 6.664 -3.856 1.00 0.00 N ATOM 776 CA LEU A 58 4.335 6.322 -2.613 1.00 0.00 C ATOM 777 C LEU A 58 4.674 7.368 -1.550 1.00 0.00 C ATOM 778 O LEU A 58 5.839 7.721 -1.371 1.00 0.00 O ATOM 779 CB LEU A 58 4.676 4.889 -2.197 1.00 0.00 C ATOM 780 CG LEU A 58 3.538 4.085 -1.567 1.00 0.00 C ATOM 781 CD1 LEU A 58 2.248 4.233 -2.376 1.00 0.00 C ATOM 782 CD2 LEU A 58 3.937 2.619 -1.387 1.00 0.00 C ATOM 0 H LEU A 58 5.630 5.942 -4.217 1.00 0.00 H new ATOM 0 HA LEU A 58 3.253 6.342 -2.746 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.031 4.351 -3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.504 4.925 -1.489 1.00 0.00 H new ATOM 0 HG LEU A 58 3.343 4.490 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.455 3.651 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.957 5.283 -2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.411 3.870 -3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.110 2.069 -0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.176 2.185 -2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.810 2.557 -0.737 1.00 0.00 H new ATOM 794 N ARG A 59 3.636 7.835 -0.873 1.00 0.00 N ATOM 795 CA ARG A 59 3.810 8.834 0.168 1.00 0.00 C ATOM 796 C ARG A 59 2.827 8.584 1.314 1.00 0.00 C ATOM 797 O ARG A 59 1.704 8.136 1.086 1.00 0.00 O ATOM 798 CB ARG A 59 3.593 10.246 -0.382 1.00 0.00 C ATOM 799 CG ARG A 59 4.604 10.566 -1.484 1.00 0.00 C ATOM 800 CD ARG A 59 4.933 12.061 -1.508 1.00 0.00 C ATOM 801 NE ARG A 59 6.249 12.279 -2.148 1.00 0.00 N ATOM 802 CZ ARG A 59 6.431 12.404 -3.470 1.00 0.00 C ATOM 803 NH1 ARG A 59 5.382 12.333 -4.300 1.00 0.00 N ATOM 804 NH2 ARG A 59 7.662 12.599 -3.961 1.00 0.00 N ATOM 0 H ARG A 59 2.671 7.540 -1.025 1.00 0.00 H new ATOM 0 HA ARG A 59 4.832 8.753 0.538 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.580 10.335 -0.775 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.687 10.973 0.425 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.516 9.992 -1.324 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.202 10.263 -2.451 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.160 12.603 -2.053 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.943 12.456 -0.492 1.00 0.00 H new ATOM 0 HE ARG A 59 7.070 12.338 -1.545 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.445 12.184 -3.926 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.520 12.428 -5.306 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.461 12.652 -3.329 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.801 12.694 -4.967 1.00 0.00 H new ATOM 818 N ARG A 60 3.285 8.883 2.520 1.00 0.00 N ATOM 819 CA ARG A 60 2.461 8.696 3.702 1.00 0.00 C ATOM 820 C ARG A 60 1.104 9.378 3.515 1.00 0.00 C ATOM 821 O ARG A 60 0.998 10.598 3.627 1.00 0.00 O ATOM 822 CB ARG A 60 3.144 9.267 4.946 1.00 0.00 C ATOM 823 CG ARG A 60 2.248 9.122 6.178 1.00 0.00 C ATOM 824 CD ARG A 60 2.669 10.097 7.280 1.00 0.00 C ATOM 825 NE ARG A 60 1.774 11.275 7.283 1.00 0.00 N ATOM 826 CZ ARG A 60 1.950 12.350 8.063 1.00 0.00 C ATOM 827 NH1 ARG A 60 2.988 12.403 8.907 1.00 0.00 N ATOM 828 NH2 ARG A 60 1.086 13.373 7.998 1.00 0.00 N ATOM 0 H ARG A 60 4.217 9.254 2.705 1.00 0.00 H new ATOM 0 HA ARG A 60 2.318 7.624 3.841 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.089 8.751 5.116 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.380 10.319 4.785 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.210 9.307 5.901 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.301 8.100 6.552 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.633 9.600 8.250 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.700 10.414 7.122 1.00 0.00 H new ATOM 0 HE ARG A 60 0.973 11.268 6.652 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.645 11.625 8.956 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.121 13.222 9.501 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.295 13.333 7.355 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.219 14.192 8.592 1.00 0.00 H new ATOM 842 N GLY A 61 0.100 8.560 3.235 1.00 0.00 N ATOM 843 CA GLY A 61 -1.246 9.068 3.032 1.00 0.00 C ATOM 844 C GLY A 61 -1.776 8.682 1.650 1.00 0.00 C ATOM 845 O GLY A 61 -2.357 9.510 0.950 1.00 0.00 O ATOM 0 H GLY A 61 0.192 7.548 3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.908 8.672 3.803 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.248 10.153 3.136 1.00 0.00 H new ATOM 849 N ASP A 62 -1.557 7.423 1.298 1.00 0.00 N ATOM 850 CA ASP A 62 -2.005 6.917 0.012 1.00 0.00 C ATOM 851 C ASP A 62 -2.927 5.716 0.235 1.00 0.00 C ATOM 852 O ASP A 62 -2.630 4.843 1.050 1.00 0.00 O ATOM 853 CB ASP A 62 -0.822 6.452 -0.839 1.00 0.00 C ATOM 854 CG ASP A 62 -0.338 7.463 -1.881 1.00 0.00 C ATOM 855 OD1 ASP A 62 0.480 8.326 -1.497 1.00 0.00 O ATOM 856 OD2 ASP A 62 -0.798 7.350 -3.038 1.00 0.00 O ATOM 0 H ASP A 62 -1.075 6.739 1.881 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.527 7.723 -0.504 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.009 6.209 -0.177 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.102 5.531 -1.351 1.00 0.00 H new ATOM 861 N ARG A 63 -4.027 5.711 -0.502 1.00 0.00 N ATOM 862 CA ARG A 63 -4.995 4.632 -0.396 1.00 0.00 C ATOM 863 C ARG A 63 -4.586 3.462 -1.292 1.00 0.00 C ATOM 864 O ARG A 63 -4.536 3.599 -2.514 1.00 0.00 O ATOM 865 CB ARG A 63 -6.394 5.106 -0.793 1.00 0.00 C ATOM 866 CG ARG A 63 -7.392 3.946 -0.775 1.00 0.00 C ATOM 867 CD ARG A 63 -8.795 4.423 -1.154 1.00 0.00 C ATOM 868 NE ARG A 63 -9.669 3.260 -1.425 1.00 0.00 N ATOM 869 CZ ARG A 63 -11.008 3.317 -1.452 1.00 0.00 C ATOM 870 NH1 ARG A 63 -11.634 4.479 -1.225 1.00 0.00 N ATOM 871 NH2 ARG A 63 -11.720 2.211 -1.706 1.00 0.00 N ATOM 0 H ARG A 63 -4.270 6.437 -1.176 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.016 4.307 0.644 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.726 5.886 -0.108 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.363 5.548 -1.789 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.067 3.172 -1.470 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.413 3.495 0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.214 5.023 -0.347 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.745 5.064 -2.034 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.225 2.359 -1.602 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.092 5.321 -1.032 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.653 4.522 -1.246 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.243 1.326 -1.879 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.739 2.254 -1.727 1.00 0.00 H new ATOM 885 N ILE A 64 -4.304 2.337 -0.651 1.00 0.00 N ATOM 886 CA ILE A 64 -3.901 1.144 -1.375 1.00 0.00 C ATOM 887 C ILE A 64 -5.130 0.511 -2.032 1.00 0.00 C ATOM 888 O ILE A 64 -6.074 0.122 -1.345 1.00 0.00 O ATOM 889 CB ILE A 64 -3.137 0.190 -0.454 1.00 0.00 C ATOM 890 CG1 ILE A 64 -1.870 0.853 0.092 1.00 0.00 C ATOM 891 CG2 ILE A 64 -2.832 -1.130 -1.164 1.00 0.00 C ATOM 892 CD1 ILE A 64 -0.645 0.457 -0.733 1.00 0.00 C ATOM 0 H ILE A 64 -4.347 2.227 0.362 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.208 1.401 -2.176 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.773 -0.043 0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.987 1.937 0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.722 0.562 1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.289 -1.790 -0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.766 -1.606 -1.463 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.224 -0.936 -2.048 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.241 0.942 -0.324 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.516 -0.625 -0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.786 0.771 -1.767 1.00 0.00 H new ATOM 904 N LEU A 65 -5.079 0.428 -3.353 1.00 0.00 N ATOM 905 CA LEU A 65 -6.176 -0.150 -4.109 1.00 0.00 C ATOM 906 C LEU A 65 -5.917 -1.644 -4.314 1.00 0.00 C ATOM 907 O LEU A 65 -6.739 -2.478 -3.935 1.00 0.00 O ATOM 908 CB LEU A 65 -6.393 0.621 -5.413 1.00 0.00 C ATOM 909 CG LEU A 65 -7.179 1.928 -5.297 1.00 0.00 C ATOM 910 CD1 LEU A 65 -8.591 1.673 -4.766 1.00 0.00 C ATOM 911 CD2 LEU A 65 -6.422 2.949 -4.445 1.00 0.00 C ATOM 0 H LEU A 65 -4.295 0.752 -3.919 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.110 -0.061 -3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.418 0.844 -5.847 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.913 -0.031 -6.115 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.282 2.354 -6.295 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.129 2.618 -4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.121 1.006 -5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.531 1.213 -3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.003 3.869 -4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.267 2.545 -3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.457 3.162 -4.904 1.00 0.00 H new ATOM 923 N SER A 66 -4.772 -1.937 -4.912 1.00 0.00 N ATOM 924 CA SER A 66 -4.395 -3.316 -5.172 1.00 0.00 C ATOM 925 C SER A 66 -2.888 -3.493 -4.971 1.00 0.00 C ATOM 926 O SER A 66 -2.138 -2.518 -4.984 1.00 0.00 O ATOM 927 CB SER A 66 -4.795 -3.740 -6.586 1.00 0.00 C ATOM 928 OG SER A 66 -4.355 -2.806 -7.568 1.00 0.00 O ATOM 0 H SER A 66 -4.093 -1.243 -5.224 1.00 0.00 H new ATOM 0 HA SER A 66 -4.927 -3.954 -4.467 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.372 -4.721 -6.804 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.879 -3.841 -6.641 1.00 0.00 H new ATOM 0 HG SER A 66 -4.628 -3.113 -8.457 1.00 0.00 H new ATOM 934 N VAL A 67 -2.490 -4.744 -4.791 1.00 0.00 N ATOM 935 CA VAL A 67 -1.087 -5.061 -4.588 1.00 0.00 C ATOM 936 C VAL A 67 -0.641 -6.078 -5.640 1.00 0.00 C ATOM 937 O VAL A 67 -1.111 -7.215 -5.648 1.00 0.00 O ATOM 938 CB VAL A 67 -0.862 -5.545 -3.155 1.00 0.00 C ATOM 939 CG1 VAL A 67 0.328 -6.505 -3.081 1.00 0.00 C ATOM 940 CG2 VAL A 67 -0.674 -4.365 -2.200 1.00 0.00 C ATOM 0 H VAL A 67 -3.115 -5.550 -4.782 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.472 -4.170 -4.716 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.753 -6.090 -2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.466 -6.834 -2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.138 -7.370 -3.716 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.229 -5.995 -3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.516 -4.738 -1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.192 -3.780 -2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.564 -3.735 -2.220 1.00 0.00 H new ATOM 950 N ASN A 68 0.260 -5.633 -6.504 1.00 0.00 N ATOM 951 CA ASN A 68 0.774 -6.491 -7.558 1.00 0.00 C ATOM 952 C ASN A 68 -0.381 -6.939 -8.454 1.00 0.00 C ATOM 953 O ASN A 68 -0.346 -8.031 -9.018 1.00 0.00 O ATOM 954 CB ASN A 68 1.435 -7.742 -6.976 1.00 0.00 C ATOM 955 CG ASN A 68 2.593 -8.212 -7.859 1.00 0.00 C ATOM 956 OD1 ASN A 68 2.764 -7.777 -8.986 1.00 0.00 O ATOM 957 ND2 ASN A 68 3.375 -9.123 -7.286 1.00 0.00 N ATOM 0 H ASN A 68 0.647 -4.689 -6.495 1.00 0.00 H new ATOM 0 HA ASN A 68 1.512 -5.924 -8.125 1.00 0.00 H new ATOM 0 HB2 ASN A 68 1.802 -7.530 -5.972 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.697 -8.538 -6.884 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.175 -9.501 -7.794 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.175 -9.444 -6.339 1.00 0.00 H new ATOM 964 N GLY A 69 -1.379 -6.073 -8.557 1.00 0.00 N ATOM 965 CA GLY A 69 -2.543 -6.366 -9.375 1.00 0.00 C ATOM 966 C GLY A 69 -3.514 -7.289 -8.637 1.00 0.00 C ATOM 967 O GLY A 69 -4.096 -8.192 -9.237 1.00 0.00 O ATOM 0 H GLY A 69 -1.405 -5.168 -8.087 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.049 -5.437 -9.640 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.228 -6.835 -10.307 1.00 0.00 H new ATOM 971 N VAL A 70 -3.658 -7.032 -7.345 1.00 0.00 N ATOM 972 CA VAL A 70 -4.548 -7.829 -6.518 1.00 0.00 C ATOM 973 C VAL A 70 -5.581 -6.913 -5.859 1.00 0.00 C ATOM 974 O VAL A 70 -5.226 -6.031 -5.079 1.00 0.00 O ATOM 975 CB VAL A 70 -3.736 -8.641 -5.507 1.00 0.00 C ATOM 976 CG1 VAL A 70 -4.651 -9.306 -4.477 1.00 0.00 C ATOM 977 CG2 VAL A 70 -2.860 -9.677 -6.212 1.00 0.00 C ATOM 0 H VAL A 70 -3.173 -6.283 -6.851 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.094 -8.549 -7.128 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.078 -7.953 -4.976 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.049 -9.877 -3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.212 -8.541 -3.941 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.345 -9.975 -4.985 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.294 -10.240 -5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.491 -10.360 -6.782 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.170 -9.171 -6.888 1.00 0.00 H new ATOM 987 N ASN A 71 -6.840 -7.154 -6.195 1.00 0.00 N ATOM 988 CA ASN A 71 -7.927 -6.362 -5.646 1.00 0.00 C ATOM 989 C ASN A 71 -7.939 -6.509 -4.123 1.00 0.00 C ATOM 990 O ASN A 71 -8.083 -7.615 -3.604 1.00 0.00 O ATOM 991 CB ASN A 71 -9.279 -6.839 -6.178 1.00 0.00 C ATOM 992 CG ASN A 71 -10.267 -5.675 -6.285 1.00 0.00 C ATOM 993 OD1 ASN A 71 -9.965 -4.618 -6.814 1.00 0.00 O ATOM 994 ND2 ASN A 71 -11.461 -5.928 -5.756 1.00 0.00 N ATOM 0 H ASN A 71 -7.131 -7.887 -6.841 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.771 -5.324 -5.940 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.147 -7.300 -7.157 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.684 -7.605 -5.517 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -12.190 -5.215 -5.778 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.647 -6.835 -5.328 1.00 0.00 H new ATOM 1001 N LEU A 72 -7.788 -5.378 -3.450 1.00 0.00 N ATOM 1002 CA LEU A 72 -7.780 -5.367 -1.997 1.00 0.00 C ATOM 1003 C LEU A 72 -8.575 -4.160 -1.496 1.00 0.00 C ATOM 1004 O LEU A 72 -8.482 -3.793 -0.326 1.00 0.00 O ATOM 1005 CB LEU A 72 -6.345 -5.421 -1.468 1.00 0.00 C ATOM 1006 CG LEU A 72 -5.512 -6.625 -1.911 1.00 0.00 C ATOM 1007 CD1 LEU A 72 -4.015 -6.330 -1.791 1.00 0.00 C ATOM 1008 CD2 LEU A 72 -5.912 -7.883 -1.137 1.00 0.00 C ATOM 0 H LEU A 72 -7.670 -4.463 -3.884 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.272 -6.258 -1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.829 -4.513 -1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.380 -5.409 -0.379 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.719 -6.815 -2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.445 -7.202 -2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.760 -5.478 -2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.772 -6.099 -0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.305 -8.724 -1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.752 -7.721 -0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.965 -8.101 -1.317 1.00 0.00 H new ATOM 1020 N ARG A 73 -9.338 -3.575 -2.407 1.00 0.00 N ATOM 1021 CA ARG A 73 -10.149 -2.416 -2.073 1.00 0.00 C ATOM 1022 C ARG A 73 -10.778 -2.590 -0.689 1.00 0.00 C ATOM 1023 O ARG A 73 -10.618 -1.736 0.181 1.00 0.00 O ATOM 1024 CB ARG A 73 -11.258 -2.203 -3.106 1.00 0.00 C ATOM 1025 CG ARG A 73 -10.751 -1.381 -4.292 1.00 0.00 C ATOM 1026 CD ARG A 73 -11.770 -1.377 -5.433 1.00 0.00 C ATOM 1027 NE ARG A 73 -11.071 -1.340 -6.737 1.00 0.00 N ATOM 1028 CZ ARG A 73 -11.668 -1.051 -7.901 1.00 0.00 C ATOM 1029 NH1 ARG A 73 -12.978 -0.772 -7.931 1.00 0.00 N ATOM 1030 NH2 ARG A 73 -10.955 -1.041 -9.035 1.00 0.00 N ATOM 0 H ARG A 73 -9.412 -3.882 -3.377 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.496 -1.543 -2.073 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.623 -3.168 -3.457 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.101 -1.694 -2.640 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.554 -0.358 -3.972 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.805 -1.792 -4.646 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.398 -2.266 -5.373 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.429 -0.514 -5.340 1.00 0.00 H new ATOM 0 HE ARG A 73 -10.072 -1.547 -6.750 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -13.521 -0.780 -7.068 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.432 -0.552 -8.817 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.958 -1.253 -9.012 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -11.409 -0.821 -9.921 1.00 0.00 H new ATOM 1044 N ASN A 74 -11.480 -3.703 -0.528 1.00 0.00 N ATOM 1045 CA ASN A 74 -12.133 -3.999 0.735 1.00 0.00 C ATOM 1046 C ASN A 74 -11.576 -5.309 1.297 1.00 0.00 C ATOM 1047 O ASN A 74 -12.310 -6.283 1.455 1.00 0.00 O ATOM 1048 CB ASN A 74 -13.642 -4.169 0.548 1.00 0.00 C ATOM 1049 CG ASN A 74 -14.305 -2.835 0.197 1.00 0.00 C ATOM 1050 OD1 ASN A 74 -14.376 -1.918 0.997 1.00 0.00 O ATOM 1051 ND2 ASN A 74 -14.784 -2.780 -1.043 1.00 0.00 N ATOM 0 H ASN A 74 -11.610 -4.410 -1.252 1.00 0.00 H new ATOM 0 HA ASN A 74 -11.945 -3.168 1.415 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.835 -4.894 -0.243 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.082 -4.569 1.461 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.244 -1.932 -1.375 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.691 -3.585 -1.662 1.00 0.00 H new ATOM 1058 N ALA A 75 -10.283 -5.290 1.584 1.00 0.00 N ATOM 1059 CA ALA A 75 -9.619 -6.463 2.125 1.00 0.00 C ATOM 1060 C ALA A 75 -9.080 -6.141 3.520 1.00 0.00 C ATOM 1061 O ALA A 75 -8.758 -4.991 3.815 1.00 0.00 O ATOM 1062 CB ALA A 75 -8.517 -6.915 1.164 1.00 0.00 C ATOM 0 H ALA A 75 -9.677 -4.480 1.452 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.322 -7.289 2.226 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.019 -7.795 1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.956 -7.160 0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.791 -6.112 1.040 1.00 0.00 H new ATOM 1068 N THR A 76 -8.998 -7.178 4.342 1.00 0.00 N ATOM 1069 CA THR A 76 -8.504 -7.019 5.699 1.00 0.00 C ATOM 1070 C THR A 76 -7.033 -6.600 5.685 1.00 0.00 C ATOM 1071 O THR A 76 -6.313 -6.879 4.728 1.00 0.00 O ATOM 1072 CB THR A 76 -8.756 -8.329 6.450 1.00 0.00 C ATOM 1073 OG1 THR A 76 -8.159 -9.323 5.622 1.00 0.00 O ATOM 1074 CG2 THR A 76 -10.237 -8.710 6.481 1.00 0.00 C ATOM 0 H THR A 76 -9.265 -8.131 4.094 1.00 0.00 H new ATOM 0 HA THR A 76 -9.032 -6.221 6.221 1.00 0.00 H new ATOM 0 HB THR A 76 -8.383 -8.241 7.470 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.274 -10.205 6.034 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.361 -9.646 7.025 1.00 0.00 H new ATOM 0 HG22 THR A 76 -10.805 -7.924 6.978 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.603 -8.832 5.461 1.00 0.00 H new ATOM 1082 N HIS A 77 -6.630 -5.937 6.759 1.00 0.00 N ATOM 1083 CA HIS A 77 -5.257 -5.477 6.883 1.00 0.00 C ATOM 1084 C HIS A 77 -4.300 -6.608 6.503 1.00 0.00 C ATOM 1085 O HIS A 77 -3.339 -6.393 5.767 1.00 0.00 O ATOM 1086 CB HIS A 77 -4.994 -4.922 8.284 1.00 0.00 C ATOM 1087 CG HIS A 77 -3.703 -4.148 8.406 1.00 0.00 C ATOM 1088 ND1 HIS A 77 -3.208 -3.703 9.619 1.00 0.00 N ATOM 1089 CD2 HIS A 77 -2.812 -3.746 7.455 1.00 0.00 C ATOM 1090 CE1 HIS A 77 -2.070 -3.062 9.396 1.00 0.00 C ATOM 1091 NE2 HIS A 77 -1.826 -3.089 8.054 1.00 0.00 N ATOM 0 H HIS A 77 -7.230 -5.707 7.551 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.082 -4.653 6.191 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.823 -4.273 8.568 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.978 -5.749 8.994 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -3.645 -3.844 10.530 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -2.895 -3.931 6.394 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -1.445 -2.599 10.145 1.00 0.00 H new ATOM 1099 N GLU A 78 -4.596 -7.790 7.023 1.00 0.00 N ATOM 1100 CA GLU A 78 -3.774 -8.956 6.749 1.00 0.00 C ATOM 1101 C GLU A 78 -3.808 -9.290 5.256 1.00 0.00 C ATOM 1102 O GLU A 78 -2.763 -9.435 4.624 1.00 0.00 O ATOM 1103 CB GLU A 78 -4.223 -10.154 7.588 1.00 0.00 C ATOM 1104 CG GLU A 78 -3.023 -10.995 8.030 1.00 0.00 C ATOM 1105 CD GLU A 78 -3.467 -12.162 8.914 1.00 0.00 C ATOM 1106 OE1 GLU A 78 -4.064 -13.105 8.351 1.00 0.00 O ATOM 1107 OE2 GLU A 78 -3.200 -12.084 10.132 1.00 0.00 O ATOM 0 H GLU A 78 -5.394 -7.965 7.633 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.746 -8.724 7.027 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.769 -9.805 8.464 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.910 -10.771 7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.499 -11.377 7.154 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.317 -10.369 8.576 1.00 0.00 H new ATOM 1114 N GLN A 79 -5.021 -9.402 4.735 1.00 0.00 N ATOM 1115 CA GLN A 79 -5.205 -9.716 3.328 1.00 0.00 C ATOM 1116 C GLN A 79 -4.422 -8.731 2.457 1.00 0.00 C ATOM 1117 O GLN A 79 -4.045 -9.055 1.332 1.00 0.00 O ATOM 1118 CB GLN A 79 -6.689 -9.716 2.956 1.00 0.00 C ATOM 1119 CG GLN A 79 -7.300 -11.107 3.137 1.00 0.00 C ATOM 1120 CD GLN A 79 -8.769 -11.121 2.711 1.00 0.00 C ATOM 1121 OE1 GLN A 79 -9.265 -10.210 2.069 1.00 0.00 O ATOM 1122 NE2 GLN A 79 -9.436 -12.203 3.103 1.00 0.00 N ATOM 0 H GLN A 79 -5.886 -9.281 5.262 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.818 -10.719 3.146 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.223 -8.997 3.577 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.808 -9.394 1.921 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.740 -11.833 2.548 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.217 -11.411 4.180 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.960 -12.929 3.638 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.423 -12.307 2.868 1.00 0.00 H new ATOM 1131 N ALA A 80 -4.201 -7.547 3.011 1.00 0.00 N ATOM 1132 CA ALA A 80 -3.469 -6.513 2.300 1.00 0.00 C ATOM 1133 C ALA A 80 -1.968 -6.718 2.512 1.00 0.00 C ATOM 1134 O ALA A 80 -1.155 -6.256 1.713 1.00 0.00 O ATOM 1135 CB ALA A 80 -3.943 -5.137 2.771 1.00 0.00 C ATOM 0 H ALA A 80 -4.516 -7.281 3.944 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.661 -6.575 1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.394 -4.361 2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.009 -5.031 2.570 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.764 -5.037 3.842 1.00 0.00 H new ATOM 1141 N ALA A 81 -1.645 -7.411 3.595 1.00 0.00 N ATOM 1142 CA ALA A 81 -0.256 -7.682 3.923 1.00 0.00 C ATOM 1143 C ALA A 81 0.178 -8.985 3.247 1.00 0.00 C ATOM 1144 O ALA A 81 1.250 -9.050 2.648 1.00 0.00 O ATOM 1145 CB ALA A 81 -0.090 -7.731 5.443 1.00 0.00 C ATOM 0 H ALA A 81 -2.322 -7.793 4.256 1.00 0.00 H new ATOM 0 HA ALA A 81 0.389 -6.886 3.550 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.952 -7.934 5.689 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.384 -6.773 5.872 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.720 -8.521 5.853 1.00 0.00 H new ATOM 1151 N ALA A 82 -0.678 -9.989 3.367 1.00 0.00 N ATOM 1152 CA ALA A 82 -0.396 -11.286 2.775 1.00 0.00 C ATOM 1153 C ALA A 82 -0.094 -11.108 1.286 1.00 0.00 C ATOM 1154 O ALA A 82 0.608 -11.923 0.690 1.00 0.00 O ATOM 1155 CB ALA A 82 -1.577 -12.228 3.022 1.00 0.00 C ATOM 0 H ALA A 82 -1.566 -9.931 3.865 1.00 0.00 H new ATOM 0 HA ALA A 82 0.482 -11.736 3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.366 -13.201 2.578 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.731 -12.345 4.095 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.476 -11.810 2.569 1.00 0.00 H new ATOM 1161 N ALA A 83 -0.640 -10.037 0.728 1.00 0.00 N ATOM 1162 CA ALA A 83 -0.437 -9.742 -0.680 1.00 0.00 C ATOM 1163 C ALA A 83 1.004 -9.278 -0.897 1.00 0.00 C ATOM 1164 O ALA A 83 1.526 -9.361 -2.008 1.00 0.00 O ATOM 1165 CB ALA A 83 -1.460 -8.699 -1.135 1.00 0.00 C ATOM 0 H ALA A 83 -1.222 -9.363 1.226 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.590 -10.635 -1.285 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.308 -8.477 -2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.467 -9.089 -0.987 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.334 -7.787 -0.551 1.00 0.00 H new ATOM 1171 N LEU A 84 1.608 -8.801 0.181 1.00 0.00 N ATOM 1172 CA LEU A 84 2.979 -8.325 0.122 1.00 0.00 C ATOM 1173 C LEU A 84 3.931 -9.481 0.436 1.00 0.00 C ATOM 1174 O LEU A 84 5.133 -9.384 0.193 1.00 0.00 O ATOM 1175 CB LEU A 84 3.164 -7.111 1.036 1.00 0.00 C ATOM 1176 CG LEU A 84 2.771 -5.758 0.441 1.00 0.00 C ATOM 1177 CD1 LEU A 84 3.212 -5.652 -1.020 1.00 0.00 C ATOM 1178 CD2 LEU A 84 1.272 -5.501 0.608 1.00 0.00 C ATOM 0 H LEU A 84 1.173 -8.734 1.101 1.00 0.00 H new ATOM 0 HA LEU A 84 3.219 -7.979 -0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.579 -7.271 1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.211 -7.063 1.336 1.00 0.00 H new ATOM 0 HG LEU A 84 3.295 -4.977 0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.920 -4.680 -1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.295 -5.759 -1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.736 -6.441 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.019 -4.533 0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.710 -6.284 0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.018 -5.504 1.668 1.00 0.00 H new ATOM 1190 N LYS A 85 3.357 -10.549 0.970 1.00 0.00 N ATOM 1191 CA LYS A 85 4.139 -11.723 1.319 1.00 0.00 C ATOM 1192 C LYS A 85 4.159 -12.688 0.131 1.00 0.00 C ATOM 1193 O LYS A 85 5.057 -13.521 0.020 1.00 0.00 O ATOM 1194 CB LYS A 85 3.615 -12.351 2.612 1.00 0.00 C ATOM 1195 CG LYS A 85 4.271 -11.710 3.837 1.00 0.00 C ATOM 1196 CD LYS A 85 3.456 -10.514 4.333 1.00 0.00 C ATOM 1197 CE LYS A 85 4.298 -9.615 5.240 1.00 0.00 C ATOM 1198 NZ LYS A 85 4.277 -10.117 6.632 1.00 0.00 N ATOM 0 H LYS A 85 2.360 -10.626 1.170 1.00 0.00 H new ATOM 0 HA LYS A 85 5.173 -11.445 1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.533 -12.228 2.668 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.814 -13.423 2.607 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.361 -12.448 4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.281 -11.387 3.586 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.092 -9.939 3.481 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.580 -10.867 4.877 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.325 -9.580 4.875 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.914 -8.595 5.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.853 -9.495 7.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.298 -10.128 6.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.665 -11.082 6.659 1.00 0.00 H new ATOM 1212 N ARG A 86 3.159 -12.544 -0.725 1.00 0.00 N ATOM 1213 CA ARG A 86 3.051 -13.392 -1.900 1.00 0.00 C ATOM 1214 C ARG A 86 3.737 -12.731 -3.097 1.00 0.00 C ATOM 1215 O ARG A 86 3.914 -13.358 -4.140 1.00 0.00 O ATOM 1216 CB ARG A 86 1.587 -13.667 -2.248 1.00 0.00 C ATOM 1217 CG ARG A 86 0.945 -12.451 -2.919 1.00 0.00 C ATOM 1218 CD ARG A 86 0.714 -12.706 -4.410 1.00 0.00 C ATOM 1219 NE ARG A 86 -0.710 -12.484 -4.746 1.00 0.00 N ATOM 1220 CZ ARG A 86 -1.684 -13.374 -4.516 1.00 0.00 C ATOM 1221 NH1 ARG A 86 -1.394 -14.553 -3.948 1.00 0.00 N ATOM 1222 NH2 ARG A 86 -2.949 -13.087 -4.855 1.00 0.00 N ATOM 0 H ARG A 86 2.416 -11.852 -0.629 1.00 0.00 H new ATOM 0 HA ARG A 86 3.542 -14.338 -1.672 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.523 -14.529 -2.912 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.036 -13.920 -1.343 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.004 -12.222 -2.434 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.587 -11.579 -2.791 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.344 -12.043 -5.003 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.001 -13.727 -4.662 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.966 -11.597 -5.180 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.432 -14.772 -3.691 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.136 -15.231 -3.773 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.170 -12.190 -5.288 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.690 -13.765 -4.680 1.00 0.00 H new ATOM 1236 N ALA A 87 4.106 -11.473 -2.906 1.00 0.00 N ATOM 1237 CA ALA A 87 4.769 -10.720 -3.957 1.00 0.00 C ATOM 1238 C ALA A 87 6.196 -11.244 -4.132 1.00 0.00 C ATOM 1239 O ALA A 87 6.439 -12.445 -4.017 1.00 0.00 O ATOM 1240 CB ALA A 87 4.734 -9.229 -3.618 1.00 0.00 C ATOM 0 H ALA A 87 3.958 -10.956 -2.039 1.00 0.00 H new ATOM 0 HA ALA A 87 4.251 -10.851 -4.907 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.232 -8.665 -4.407 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.699 -8.899 -3.534 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.247 -9.059 -2.671 1.00 0.00 H new ATOM 1246 N GLY A 88 7.103 -10.318 -4.406 1.00 0.00 N ATOM 1247 CA GLY A 88 8.500 -10.672 -4.598 1.00 0.00 C ATOM 1248 C GLY A 88 9.386 -9.425 -4.594 1.00 0.00 C ATOM 1249 O GLY A 88 9.359 -8.642 -3.646 1.00 0.00 O ATOM 0 H GLY A 88 6.898 -9.323 -4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.819 -11.352 -3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.618 -11.203 -5.542 1.00 0.00 H new ATOM 1253 N GLN A 89 10.152 -9.280 -5.666 1.00 0.00 N ATOM 1254 CA GLN A 89 11.045 -8.141 -5.798 1.00 0.00 C ATOM 1255 C GLN A 89 10.322 -6.975 -6.475 1.00 0.00 C ATOM 1256 O GLN A 89 10.303 -5.863 -5.950 1.00 0.00 O ATOM 1257 CB GLN A 89 12.310 -8.524 -6.570 1.00 0.00 C ATOM 1258 CG GLN A 89 13.531 -8.538 -5.648 1.00 0.00 C ATOM 1259 CD GLN A 89 14.814 -8.255 -6.433 1.00 0.00 C ATOM 1260 OE1 GLN A 89 14.852 -8.314 -7.651 1.00 0.00 O ATOM 1261 NE2 GLN A 89 15.858 -7.947 -5.670 1.00 0.00 N ATOM 0 H GLN A 89 10.173 -9.932 -6.450 1.00 0.00 H new ATOM 0 HA GLN A 89 11.349 -7.824 -4.800 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.180 -9.507 -7.023 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.472 -7.817 -7.384 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.408 -7.791 -4.864 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.608 -9.507 -5.155 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.757 -7.916 -4.656 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.760 -7.742 -6.099 1.00 0.00 H new ATOM 1270 N SER A 90 9.744 -7.269 -7.631 1.00 0.00 N ATOM 1271 CA SER A 90 9.022 -6.258 -8.384 1.00 0.00 C ATOM 1272 C SER A 90 7.522 -6.370 -8.105 1.00 0.00 C ATOM 1273 O SER A 90 6.825 -7.156 -8.744 1.00 0.00 O ATOM 1274 CB SER A 90 9.294 -6.391 -9.884 1.00 0.00 C ATOM 1275 OG SER A 90 10.222 -7.434 -10.168 1.00 0.00 O ATOM 0 H SER A 90 9.761 -8.192 -8.064 1.00 0.00 H new ATOM 0 HA SER A 90 9.372 -5.277 -8.064 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.358 -6.587 -10.406 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.681 -5.447 -10.267 1.00 0.00 H new ATOM 0 HG SER A 90 10.368 -7.488 -11.136 1.00 0.00 H new ATOM 1281 N VAL A 91 7.069 -5.572 -7.149 1.00 0.00 N ATOM 1282 CA VAL A 91 5.665 -5.571 -6.777 1.00 0.00 C ATOM 1283 C VAL A 91 5.018 -4.266 -7.244 1.00 0.00 C ATOM 1284 O VAL A 91 5.559 -3.185 -7.016 1.00 0.00 O ATOM 1285 CB VAL A 91 5.522 -5.804 -5.272 1.00 0.00 C ATOM 1286 CG1 VAL A 91 4.062 -6.066 -4.894 1.00 0.00 C ATOM 1287 CG2 VAL A 91 6.423 -6.949 -4.806 1.00 0.00 C ATOM 0 H VAL A 91 7.650 -4.921 -6.621 1.00 0.00 H new ATOM 0 HA VAL A 91 5.139 -6.389 -7.270 1.00 0.00 H new ATOM 0 HB VAL A 91 5.843 -4.896 -4.761 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.988 -6.228 -3.819 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.454 -5.206 -5.174 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.703 -6.951 -5.420 1.00 0.00 H new ATOM 0 HG21 VAL A 91 6.302 -7.093 -3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.147 -7.865 -5.329 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.463 -6.706 -5.024 1.00 0.00 H new ATOM 1297 N THR A 92 3.870 -4.409 -7.890 1.00 0.00 N ATOM 1298 CA THR A 92 3.145 -3.254 -8.392 1.00 0.00 C ATOM 1299 C THR A 92 2.080 -2.815 -7.385 1.00 0.00 C ATOM 1300 O THR A 92 1.008 -3.414 -7.308 1.00 0.00 O ATOM 1301 CB THR A 92 2.572 -3.615 -9.763 1.00 0.00 C ATOM 1302 OG1 THR A 92 3.648 -4.271 -10.428 1.00 0.00 O ATOM 1303 CG2 THR A 92 2.297 -2.382 -10.626 1.00 0.00 C ATOM 0 H THR A 92 3.424 -5.307 -8.077 1.00 0.00 H new ATOM 0 HA THR A 92 3.805 -2.395 -8.516 1.00 0.00 H new ATOM 0 HB THR A 92 1.649 -4.180 -9.633 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.362 -4.541 -11.326 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.891 -2.694 -11.588 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.577 -1.738 -10.121 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.226 -1.834 -10.784 1.00 0.00 H new ATOM 1311 N ILE A 93 2.412 -1.772 -6.638 1.00 0.00 N ATOM 1312 CA ILE A 93 1.497 -1.246 -5.639 1.00 0.00 C ATOM 1313 C ILE A 93 0.713 -0.077 -6.237 1.00 0.00 C ATOM 1314 O ILE A 93 1.279 0.981 -6.507 1.00 0.00 O ATOM 1315 CB ILE A 93 2.252 -0.888 -4.357 1.00 0.00 C ATOM 1316 CG1 ILE A 93 2.991 -2.106 -3.797 1.00 0.00 C ATOM 1317 CG2 ILE A 93 1.313 -0.263 -3.323 1.00 0.00 C ATOM 1318 CD1 ILE A 93 4.372 -2.252 -4.439 1.00 0.00 C ATOM 0 H ILE A 93 3.302 -1.277 -6.705 1.00 0.00 H new ATOM 0 HA ILE A 93 0.769 -2.005 -5.352 1.00 0.00 H new ATOM 0 HB ILE A 93 3.005 -0.139 -4.603 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.097 -2.007 -2.717 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.405 -3.007 -3.978 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.875 -0.018 -2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.872 0.645 -3.734 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.521 -0.970 -3.076 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.876 -3.125 -4.024 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.261 -2.375 -5.516 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.964 -1.360 -4.235 1.00 0.00 H new ATOM 1330 N VAL A 94 -0.578 -0.307 -6.426 1.00 0.00 N ATOM 1331 CA VAL A 94 -1.446 0.714 -6.988 1.00 0.00 C ATOM 1332 C VAL A 94 -2.279 1.341 -5.869 1.00 0.00 C ATOM 1333 O VAL A 94 -3.267 0.758 -5.424 1.00 0.00 O ATOM 1334 CB VAL A 94 -2.301 0.117 -8.107 1.00 0.00 C ATOM 1335 CG1 VAL A 94 -2.946 1.218 -8.951 1.00 0.00 C ATOM 1336 CG2 VAL A 94 -1.477 -0.831 -8.980 1.00 0.00 C ATOM 0 H VAL A 94 -1.044 -1.186 -6.200 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.855 1.511 -7.439 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.100 -0.463 -7.645 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.548 0.766 -9.739 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.582 1.837 -8.318 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.168 1.837 -9.398 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.109 -1.242 -9.768 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.647 -0.284 -9.428 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.087 -1.644 -8.367 1.00 0.00 H new ATOM 1346 N ALA A 95 -1.850 2.521 -5.445 1.00 0.00 N ATOM 1347 CA ALA A 95 -2.545 3.234 -4.386 1.00 0.00 C ATOM 1348 C ALA A 95 -2.708 4.701 -4.786 1.00 0.00 C ATOM 1349 O ALA A 95 -1.895 5.238 -5.537 1.00 0.00 O ATOM 1350 CB ALA A 95 -1.778 3.069 -3.072 1.00 0.00 C ATOM 0 H ALA A 95 -1.030 3.001 -5.816 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.543 2.821 -4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.299 3.603 -2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.716 2.011 -2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.773 3.475 -3.184 1.00 0.00 H new ATOM 1356 N GLN A 96 -3.764 5.309 -4.267 1.00 0.00 N ATOM 1357 CA GLN A 96 -4.044 6.705 -4.560 1.00 0.00 C ATOM 1358 C GLN A 96 -3.368 7.610 -3.530 1.00 0.00 C ATOM 1359 O GLN A 96 -3.089 7.183 -2.410 1.00 0.00 O ATOM 1360 CB GLN A 96 -5.552 6.962 -4.611 1.00 0.00 C ATOM 1361 CG GLN A 96 -6.200 6.198 -5.767 1.00 0.00 C ATOM 1362 CD GLN A 96 -7.593 5.698 -5.381 1.00 0.00 C ATOM 1363 OE1 GLN A 96 -7.809 5.146 -4.314 1.00 0.00 O ATOM 1364 NE2 GLN A 96 -8.523 5.921 -6.305 1.00 0.00 N ATOM 0 H GLN A 96 -4.437 4.861 -3.645 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.635 6.939 -5.543 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -6.008 6.658 -3.669 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -5.739 8.030 -4.726 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.271 6.846 -6.641 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.571 5.353 -6.047 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.274 6.389 -7.177 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.485 5.625 -6.142 1.00 0.00 H new ATOM 1373 N TYR A 97 -3.122 8.845 -3.944 1.00 0.00 N ATOM 1374 CA TYR A 97 -2.484 9.814 -3.071 1.00 0.00 C ATOM 1375 C TYR A 97 -3.515 10.766 -2.461 1.00 0.00 C ATOM 1376 O TYR A 97 -3.620 11.920 -2.875 1.00 0.00 O ATOM 1377 CB TYR A 97 -1.528 10.616 -3.957 1.00 0.00 C ATOM 1378 CG TYR A 97 -0.499 11.437 -3.179 1.00 0.00 C ATOM 1379 CD1 TYR A 97 -0.617 11.576 -1.811 1.00 0.00 C ATOM 1380 CD2 TYR A 97 0.549 12.040 -3.846 1.00 0.00 C ATOM 1381 CE1 TYR A 97 0.352 12.349 -1.079 1.00 0.00 C ATOM 1382 CE2 TYR A 97 1.519 12.813 -3.113 1.00 0.00 C ATOM 1383 CZ TYR A 97 1.372 12.929 -1.766 1.00 0.00 C ATOM 1384 OH TYR A 97 2.288 13.659 -1.075 1.00 0.00 O ATOM 0 H TYR A 97 -3.354 9.196 -4.873 1.00 0.00 H new ATOM 0 HA TYR A 97 -1.971 9.311 -2.251 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.003 9.930 -4.621 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.111 11.287 -4.588 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.437 11.105 -1.289 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.641 11.932 -4.917 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.271 12.466 -0.008 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.344 13.289 -3.622 1.00 0.00 H new ATOM 0 HH TYR A 97 2.374 13.301 -0.167 1.00 0.00 H new ATOM 1394 N ARG A 98 -4.249 10.248 -1.488 1.00 0.00 N ATOM 1395 CA ARG A 98 -5.268 11.037 -0.817 1.00 0.00 C ATOM 1396 C ARG A 98 -4.954 11.152 0.676 1.00 0.00 C ATOM 1397 O ARG A 98 -5.384 10.317 1.470 1.00 0.00 O ATOM 1398 CB ARG A 98 -6.653 10.413 -0.993 1.00 0.00 C ATOM 1399 CG ARG A 98 -7.732 11.493 -1.103 1.00 0.00 C ATOM 1400 CD ARG A 98 -8.695 11.190 -2.252 1.00 0.00 C ATOM 1401 NE ARG A 98 -9.114 9.771 -2.201 1.00 0.00 N ATOM 1402 CZ ARG A 98 -9.887 9.182 -3.124 1.00 0.00 C ATOM 1403 NH1 ARG A 98 -10.330 9.886 -4.175 1.00 0.00 N ATOM 1404 NH2 ARG A 98 -10.216 7.889 -2.996 1.00 0.00 N ATOM 0 H ARG A 98 -4.158 9.291 -1.148 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.269 12.029 -1.269 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.664 9.791 -1.888 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.872 9.760 -0.148 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.286 11.556 -0.166 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.264 12.465 -1.262 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -9.569 11.838 -2.186 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.213 11.401 -3.207 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.794 9.206 -1.414 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.079 10.870 -4.272 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.918 9.438 -4.878 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -9.878 7.354 -2.196 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -10.804 7.441 -3.698 1.00 0.00 H new ATOM 1418 N PRO A 99 -4.186 12.220 1.022 1.00 0.00 N ATOM 1419 CA PRO A 99 -3.809 12.454 2.405 1.00 0.00 C ATOM 1420 C PRO A 99 -4.990 12.999 3.210 1.00 0.00 C ATOM 1421 O PRO A 99 -4.971 12.977 4.440 1.00 0.00 O ATOM 1422 CB PRO A 99 -2.640 13.423 2.336 1.00 0.00 C ATOM 1423 CG PRO A 99 -2.704 14.055 0.955 1.00 0.00 C ATOM 1424 CD PRO A 99 -3.658 13.229 0.108 1.00 0.00 C ATOM 0 HA PRO A 99 -3.521 11.539 2.923 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -2.714 14.181 3.116 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -1.693 12.904 2.485 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -3.049 15.087 1.023 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -1.714 14.080 0.500 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -4.456 13.846 -0.305 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -3.142 12.769 -0.735 1.00 0.00 H new ATOM 1432 N GLU A 100 -5.991 13.475 2.484 1.00 0.00 N ATOM 1433 CA GLU A 100 -7.179 14.025 3.115 1.00 0.00 C ATOM 1434 C GLU A 100 -7.987 12.912 3.785 1.00 0.00 C ATOM 1435 O GLU A 100 -8.544 13.107 4.864 1.00 0.00 O ATOM 1436 CB GLU A 100 -8.033 14.791 2.103 1.00 0.00 C ATOM 1437 CG GLU A 100 -7.260 15.974 1.518 1.00 0.00 C ATOM 1438 CD GLU A 100 -7.532 16.119 0.019 1.00 0.00 C ATOM 1439 OE1 GLU A 100 -8.721 16.287 -0.329 1.00 0.00 O ATOM 1440 OE2 GLU A 100 -6.544 16.058 -0.745 1.00 0.00 O ATOM 0 H GLU A 100 -6.004 13.491 1.464 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.865 14.732 3.883 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.341 14.121 1.301 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.942 15.149 2.586 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.546 16.891 2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -6.192 15.834 1.686 1.00 0.00 H new ATOM 1447 N GLU A 101 -8.026 11.768 3.116 1.00 0.00 N ATOM 1448 CA GLU A 101 -8.758 10.624 3.632 1.00 0.00 C ATOM 1449 C GLU A 101 -7.969 9.955 4.760 1.00 0.00 C ATOM 1450 O GLU A 101 -8.481 9.786 5.865 1.00 0.00 O ATOM 1451 CB GLU A 101 -9.073 9.626 2.517 1.00 0.00 C ATOM 1452 CG GLU A 101 -10.291 10.076 1.707 1.00 0.00 C ATOM 1453 CD GLU A 101 -11.530 9.260 2.081 1.00 0.00 C ATOM 1454 OE1 GLU A 101 -11.717 9.038 3.297 1.00 0.00 O ATOM 1455 OE2 GLU A 101 -12.262 8.877 1.143 1.00 0.00 O ATOM 0 H GLU A 101 -7.562 11.610 2.221 1.00 0.00 H new ATOM 0 HA GLU A 101 -9.707 10.977 4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.210 9.527 1.858 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.261 8.642 2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.480 11.134 1.886 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.086 9.965 0.642 1.00 0.00 H new ATOM 1462 N TYR A 102 -6.735 9.592 4.441 1.00 0.00 N ATOM 1463 CA TYR A 102 -5.871 8.945 5.413 1.00 0.00 C ATOM 1464 C TYR A 102 -5.981 9.622 6.781 1.00 0.00 C ATOM 1465 O TYR A 102 -5.906 8.958 7.814 1.00 0.00 O ATOM 1466 CB TYR A 102 -4.444 9.114 4.888 1.00 0.00 C ATOM 1467 CG TYR A 102 -3.359 8.751 5.904 1.00 0.00 C ATOM 1468 CD1 TYR A 102 -3.115 7.428 6.210 1.00 0.00 C ATOM 1469 CD2 TYR A 102 -2.625 9.748 6.514 1.00 0.00 C ATOM 1470 CE1 TYR A 102 -2.094 7.087 7.167 1.00 0.00 C ATOM 1471 CE2 TYR A 102 -1.604 9.407 7.471 1.00 0.00 C ATOM 1472 CZ TYR A 102 -1.389 8.093 7.750 1.00 0.00 C ATOM 1473 OH TYR A 102 -0.425 7.771 8.653 1.00 0.00 O ATOM 0 H TYR A 102 -6.313 9.734 3.523 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.150 7.899 5.537 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -4.319 8.493 4.001 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.303 10.149 4.576 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -3.689 6.648 5.732 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.816 10.783 6.274 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -1.893 6.055 7.416 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.022 10.177 7.956 1.00 0.00 H new ATOM 0 HH TYR A 102 0.180 7.106 8.263 1.00 0.00 H new ATOM 1483 N SER A 103 -6.157 10.934 6.744 1.00 0.00 N ATOM 1484 CA SER A 103 -6.278 11.708 7.967 1.00 0.00 C ATOM 1485 C SER A 103 -7.274 11.036 8.915 1.00 0.00 C ATOM 1486 O SER A 103 -7.135 11.129 10.134 1.00 0.00 O ATOM 1487 CB SER A 103 -6.716 13.144 7.670 1.00 0.00 C ATOM 1488 OG SER A 103 -8.058 13.206 7.195 1.00 0.00 O ATOM 0 H SER A 103 -6.219 11.481 5.885 1.00 0.00 H new ATOM 0 HA SER A 103 -5.299 11.747 8.445 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.624 13.745 8.574 1.00 0.00 H new ATOM 0 HB3 SER A 103 -6.048 13.580 6.927 1.00 0.00 H new ATOM 0 HG SER A 103 -8.093 12.886 6.269 1.00 0.00 H new ATOM 1494 N ARG A 104 -8.255 10.375 8.320 1.00 0.00 N ATOM 1495 CA ARG A 104 -9.273 9.688 9.096 1.00 0.00 C ATOM 1496 C ARG A 104 -8.630 8.636 10.002 1.00 0.00 C ATOM 1497 O ARG A 104 -9.201 8.260 11.025 1.00 0.00 O ATOM 1498 CB ARG A 104 -10.296 9.008 8.184 1.00 0.00 C ATOM 1499 CG ARG A 104 -9.730 7.715 7.593 1.00 0.00 C ATOM 1500 CD ARG A 104 -10.098 7.580 6.114 1.00 0.00 C ATOM 1501 NE ARG A 104 -11.260 6.676 5.962 1.00 0.00 N ATOM 1502 CZ ARG A 104 -11.688 6.194 4.787 1.00 0.00 C ATOM 1503 NH1 ARG A 104 -11.053 6.527 3.655 1.00 0.00 N ATOM 1504 NH2 ARG A 104 -12.751 5.380 4.745 1.00 0.00 N ATOM 0 H ARG A 104 -8.367 10.300 7.309 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.785 10.434 9.705 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.202 8.788 8.749 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.579 9.687 7.379 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.646 7.705 7.704 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.115 6.859 8.147 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.332 8.560 5.698 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.248 7.191 5.553 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.767 6.403 6.804 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -10.244 7.147 3.688 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -11.379 6.160 2.761 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -13.234 5.127 5.607 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -13.077 5.013 3.851 1.00 0.00 H new ATOM 1518 N PHE A 105 -7.450 8.192 9.595 1.00 0.00 N ATOM 1519 CA PHE A 105 -6.723 7.191 10.357 1.00 0.00 C ATOM 1520 C PHE A 105 -5.727 7.849 11.315 1.00 0.00 C ATOM 1521 O PHE A 105 -5.704 7.535 12.504 1.00 0.00 O ATOM 1522 CB PHE A 105 -5.954 6.333 9.350 1.00 0.00 C ATOM 1523 CG PHE A 105 -6.759 5.157 8.793 1.00 0.00 C ATOM 1524 CD1 PHE A 105 -7.065 4.102 9.595 1.00 0.00 C ATOM 1525 CD2 PHE A 105 -7.167 5.167 7.496 1.00 0.00 C ATOM 1526 CE1 PHE A 105 -7.812 3.011 9.077 1.00 0.00 C ATOM 1527 CE2 PHE A 105 -7.914 4.075 6.978 1.00 0.00 C ATOM 1528 CZ PHE A 105 -8.220 3.020 7.780 1.00 0.00 C ATOM 0 H PHE A 105 -6.979 8.507 8.747 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.418 6.597 10.950 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -5.631 6.964 8.522 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -5.053 5.949 9.828 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.740 4.094 10.625 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.923 6.005 6.860 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -8.056 2.174 9.714 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -8.239 4.083 5.948 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.787 2.189 7.387 1.00 0.00 H new