USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 674 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 SER OG : rot -102:sc= 0.324 USER MOD Set 1.2: A 22 THR OG1 : rot 88:sc= 1.32 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl -163:sc= -0.0814 (180deg=-0.491) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 142:sc= -1.11! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= 1.28 (180deg=1.2) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 59 THR OG1 : rot 146:sc= 1.26 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -161:sc= 1.25 USER MOD Single : A 68 ASN : amide:sc= 1.21 K(o=1.2,f=-0.25) USER MOD Single : A 69 SER OG : rot 74:sc= 1.23 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -137:sc= -0.126 (180deg=-0.611) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0115) USER MOD Single : A 90 TYR OH : rot -83:sc= 0.342 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 174 N ARG A 11 7.522 12.436 -9.135 1.00 0.00 N ATOM 175 CA ARG A 11 6.451 12.373 -8.150 1.00 0.00 C ATOM 176 C ARG A 11 5.655 11.077 -8.288 1.00 0.00 C ATOM 177 O ARG A 11 5.121 10.557 -7.309 1.00 0.00 O ATOM 178 CB ARG A 11 5.541 13.592 -8.300 1.00 0.00 C ATOM 179 CG ARG A 11 4.685 13.871 -7.081 1.00 0.00 C ATOM 180 CD ARG A 11 4.149 15.290 -7.117 1.00 0.00 C ATOM 181 NE ARG A 11 3.477 15.666 -5.876 1.00 0.00 N ATOM 182 CZ ARG A 11 4.109 16.080 -4.775 1.00 0.00 C ATOM 183 NH1 ARG A 11 5.436 16.049 -4.705 1.00 0.00 N ATOM 184 NH2 ARG A 11 3.409 16.506 -3.732 1.00 0.00 N ATOM 0 HA ARG A 11 6.891 12.382 -7.153 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.155 14.468 -8.509 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.891 13.444 -9.163 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.856 13.164 -7.043 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.273 13.722 -6.175 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.971 15.981 -7.305 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.452 15.391 -7.949 1.00 0.00 H new ATOM 0 HE ARG A 11 2.459 15.609 -5.849 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.981 15.707 -5.497 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.910 16.367 -3.860 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.390 16.517 -3.772 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.890 16.823 -2.890 1.00 0.00 H new ATOM 198 N SER A 12 5.577 10.565 -9.505 1.00 0.00 N ATOM 199 CA SER A 12 4.931 9.286 -9.755 1.00 0.00 C ATOM 200 C SER A 12 5.968 8.169 -9.733 1.00 0.00 C ATOM 201 O SER A 12 7.081 8.339 -10.232 1.00 0.00 O ATOM 202 CB SER A 12 4.210 9.311 -11.105 1.00 0.00 C ATOM 203 OG SER A 12 3.246 10.350 -11.147 1.00 0.00 O ATOM 0 H SER A 12 5.954 11.017 -10.338 1.00 0.00 H new ATOM 0 HA SER A 12 4.195 9.103 -8.972 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.936 9.451 -11.906 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.723 8.351 -11.279 1.00 0.00 H new ATOM 0 HG SER A 12 2.352 9.973 -11.009 1.00 0.00 H new ATOM 209 N VAL A 13 5.609 7.037 -9.143 1.00 0.00 N ATOM 210 CA VAL A 13 6.529 5.914 -9.034 1.00 0.00 C ATOM 211 C VAL A 13 6.105 4.779 -9.956 1.00 0.00 C ATOM 212 O VAL A 13 4.913 4.556 -10.177 1.00 0.00 O ATOM 213 CB VAL A 13 6.625 5.384 -7.583 1.00 0.00 C ATOM 214 CG1 VAL A 13 7.232 6.432 -6.663 1.00 0.00 C ATOM 215 CG2 VAL A 13 5.259 4.955 -7.066 1.00 0.00 C ATOM 0 H VAL A 13 4.689 6.872 -8.733 1.00 0.00 H new ATOM 0 HA VAL A 13 7.511 6.281 -9.332 1.00 0.00 H new ATOM 0 HB VAL A 13 7.277 4.511 -7.591 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.289 6.037 -5.649 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.233 6.685 -7.011 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.609 7.326 -6.669 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.356 4.587 -6.045 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.580 5.807 -7.082 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.862 4.163 -7.701 1.00 0.00 H new ATOM 225 N THR A 14 7.079 4.072 -10.502 1.00 0.00 N ATOM 226 CA THR A 14 6.800 2.940 -11.366 1.00 0.00 C ATOM 227 C THR A 14 6.994 1.631 -10.609 1.00 0.00 C ATOM 228 O THR A 14 8.085 1.339 -10.117 1.00 0.00 O ATOM 229 CB THR A 14 7.705 2.951 -12.612 1.00 0.00 C ATOM 230 OG1 THR A 14 7.676 4.249 -13.219 1.00 0.00 O ATOM 231 CG2 THR A 14 7.252 1.904 -13.622 1.00 0.00 C ATOM 0 H THR A 14 8.071 4.263 -10.362 1.00 0.00 H new ATOM 0 HA THR A 14 5.762 3.022 -11.690 1.00 0.00 H new ATOM 0 HB THR A 14 8.722 2.714 -12.300 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.254 4.253 -14.010 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.907 1.931 -14.493 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.296 0.915 -13.166 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.228 2.115 -13.931 1.00 0.00 H new ATOM 239 N LEU A 15 5.921 0.866 -10.498 1.00 0.00 N ATOM 240 CA LEU A 15 5.965 -0.435 -9.851 1.00 0.00 C ATOM 241 C LEU A 15 6.656 -1.440 -10.763 1.00 0.00 C ATOM 242 O LEU A 15 6.618 -1.295 -11.984 1.00 0.00 O ATOM 243 CB LEU A 15 4.545 -0.920 -9.545 1.00 0.00 C ATOM 244 CG LEU A 15 3.678 0.030 -8.714 1.00 0.00 C ATOM 245 CD1 LEU A 15 2.255 -0.498 -8.624 1.00 0.00 C ATOM 246 CD2 LEU A 15 4.264 0.217 -7.324 1.00 0.00 C ATOM 0 H LEU A 15 5.000 1.127 -10.851 1.00 0.00 H new ATOM 0 HA LEU A 15 6.522 -0.345 -8.918 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.036 -1.113 -10.490 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.613 -1.873 -9.019 1.00 0.00 H new ATOM 0 HG LEU A 15 3.660 1.001 -9.209 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.650 0.187 -8.030 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.833 -0.580 -9.626 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.261 -1.480 -8.151 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.632 0.896 -6.751 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.314 -0.747 -6.818 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.267 0.637 -7.405 1.00 0.00 H new ATOM 258 N PRO A 16 7.282 -2.485 -10.188 1.00 0.00 N ATOM 259 CA PRO A 16 7.906 -3.561 -10.972 1.00 0.00 C ATOM 260 C PRO A 16 6.895 -4.256 -11.886 1.00 0.00 C ATOM 261 O PRO A 16 7.266 -4.951 -12.833 1.00 0.00 O ATOM 262 CB PRO A 16 8.425 -4.534 -9.907 1.00 0.00 C ATOM 263 CG PRO A 16 8.540 -3.723 -8.664 1.00 0.00 C ATOM 264 CD PRO A 16 7.449 -2.692 -8.739 1.00 0.00 C ATOM 0 HA PRO A 16 8.688 -3.187 -11.632 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.740 -5.371 -9.770 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.389 -4.955 -10.194 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.426 -4.348 -7.778 1.00 0.00 H new ATOM 0 HG3 PRO A 16 9.520 -3.250 -8.596 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.529 -3.045 -8.274 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.730 -1.770 -8.230 1.00 0.00 H new ATOM 272 N ASP A 17 5.615 -4.046 -11.591 1.00 0.00 N ATOM 273 CA ASP A 17 4.525 -4.595 -12.392 1.00 0.00 C ATOM 274 C ASP A 17 4.418 -3.868 -13.730 1.00 0.00 C ATOM 275 O ASP A 17 3.790 -4.360 -14.666 1.00 0.00 O ATOM 276 CB ASP A 17 3.192 -4.464 -11.645 1.00 0.00 C ATOM 277 CG ASP A 17 3.229 -5.072 -10.257 1.00 0.00 C ATOM 278 OD1 ASP A 17 2.924 -6.274 -10.120 1.00 0.00 O ATOM 279 OD2 ASP A 17 3.551 -4.342 -9.296 1.00 0.00 O ATOM 0 H ASP A 17 5.305 -3.492 -10.793 1.00 0.00 H new ATOM 0 HA ASP A 17 4.741 -5.648 -12.571 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.928 -3.409 -11.567 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.407 -4.947 -12.227 1.00 0.00 H new ATOM 284 N GLY A 18 5.024 -2.689 -13.808 1.00 0.00 N ATOM 285 CA GLY A 18 4.960 -1.898 -15.022 1.00 0.00 C ATOM 286 C GLY A 18 3.930 -0.789 -14.931 1.00 0.00 C ATOM 287 O GLY A 18 3.707 -0.057 -15.894 1.00 0.00 O ATOM 0 H GLY A 18 5.560 -2.266 -13.050 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.940 -1.465 -15.223 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.719 -2.547 -15.864 1.00 0.00 H new ATOM 291 N SER A 19 3.311 -0.661 -13.766 1.00 0.00 N ATOM 292 CA SER A 19 2.273 0.338 -13.560 1.00 0.00 C ATOM 293 C SER A 19 2.846 1.551 -12.831 1.00 0.00 C ATOM 294 O SER A 19 3.693 1.409 -11.949 1.00 0.00 O ATOM 295 CB SER A 19 1.121 -0.270 -12.749 1.00 0.00 C ATOM 296 OG SER A 19 0.048 0.645 -12.598 1.00 0.00 O ATOM 0 H SER A 19 3.510 -1.237 -12.948 1.00 0.00 H new ATOM 0 HA SER A 19 1.894 0.661 -14.530 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.763 -1.172 -13.245 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.486 -0.569 -11.766 1.00 0.00 H new ATOM 0 HG SER A 19 -0.669 0.225 -12.078 1.00 0.00 H new ATOM 302 N ILE A 20 2.387 2.738 -13.208 1.00 0.00 N ATOM 303 CA ILE A 20 2.819 3.964 -12.553 1.00 0.00 C ATOM 304 C ILE A 20 1.768 4.423 -11.552 1.00 0.00 C ATOM 305 O ILE A 20 0.584 4.515 -11.876 1.00 0.00 O ATOM 306 CB ILE A 20 3.101 5.099 -13.566 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.894 5.317 -14.492 1.00 0.00 C ATOM 308 CG2 ILE A 20 4.352 4.783 -14.373 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.021 6.535 -15.384 1.00 0.00 C ATOM 0 H ILE A 20 1.716 2.877 -13.964 1.00 0.00 H new ATOM 0 HA ILE A 20 3.752 3.741 -12.035 1.00 0.00 H new ATOM 0 HB ILE A 20 3.269 6.023 -13.013 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.762 4.433 -15.116 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.994 5.415 -13.884 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.540 5.589 -15.083 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.204 4.685 -13.700 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.209 3.848 -14.915 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.132 6.623 -16.008 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.122 7.428 -14.768 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.901 6.431 -16.019 1.00 0.00 H new ATOM 321 N MET A 21 2.197 4.694 -10.334 1.00 0.00 N ATOM 322 CA MET A 21 1.274 5.084 -9.284 1.00 0.00 C ATOM 323 C MET A 21 1.533 6.506 -8.815 1.00 0.00 C ATOM 324 O MET A 21 2.682 6.933 -8.665 1.00 0.00 O ATOM 325 CB MET A 21 1.360 4.127 -8.097 1.00 0.00 C ATOM 326 CG MET A 21 0.812 2.741 -8.384 1.00 0.00 C ATOM 327 SD MET A 21 -0.926 2.761 -8.871 1.00 0.00 S ATOM 328 CE MET A 21 -1.688 3.446 -7.400 1.00 0.00 C ATOM 0 H MET A 21 3.175 4.652 -10.047 1.00 0.00 H new ATOM 0 HA MET A 21 0.270 5.037 -9.706 1.00 0.00 H new ATOM 0 HB2 MET A 21 2.402 4.039 -7.789 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.814 4.556 -7.257 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.401 2.280 -9.177 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.929 2.119 -7.497 1.00 0.00 H new ATOM 0 HE1 MET A 21 -2.759 3.246 -7.418 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.248 2.987 -6.515 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.521 4.523 -7.371 1.00 0.00 H new ATOM 338 N THR A 22 0.449 7.228 -8.595 1.00 0.00 N ATOM 339 CA THR A 22 0.497 8.577 -8.065 1.00 0.00 C ATOM 340 C THR A 22 -0.539 8.687 -6.950 1.00 0.00 C ATOM 341 O THR A 22 -1.360 7.782 -6.789 1.00 0.00 O ATOM 342 CB THR A 22 0.198 9.615 -9.167 1.00 0.00 C ATOM 343 OG1 THR A 22 0.558 9.082 -10.452 1.00 0.00 O ATOM 344 CG2 THR A 22 0.976 10.900 -8.927 1.00 0.00 C ATOM 0 H THR A 22 -0.496 6.891 -8.781 1.00 0.00 H new ATOM 0 HA THR A 22 1.496 8.782 -7.680 1.00 0.00 H new ATOM 0 HB THR A 22 -0.869 9.837 -9.142 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.200 8.586 -10.824 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.749 11.616 -9.717 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.693 11.322 -7.962 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.044 10.684 -8.930 1.00 0.00 H new ATOM 352 N ARG A 23 -0.524 9.772 -6.187 1.00 0.00 N ATOM 353 CA ARG A 23 -1.447 9.915 -5.062 1.00 0.00 C ATOM 354 C ARG A 23 -2.899 9.979 -5.543 1.00 0.00 C ATOM 355 O ARG A 23 -3.811 9.526 -4.851 1.00 0.00 O ATOM 356 CB ARG A 23 -1.113 11.155 -4.234 1.00 0.00 C ATOM 357 CG ARG A 23 -1.792 11.176 -2.874 1.00 0.00 C ATOM 358 CD ARG A 23 -1.401 12.403 -2.071 1.00 0.00 C ATOM 359 NE ARG A 23 -1.971 13.633 -2.622 1.00 0.00 N ATOM 360 CZ ARG A 23 -1.372 14.822 -2.566 1.00 0.00 C ATOM 361 NH1 ARG A 23 -0.143 14.929 -2.068 1.00 0.00 N ATOM 362 NH2 ARG A 23 -2.000 15.899 -3.024 1.00 0.00 N ATOM 0 H ARG A 23 0.109 10.560 -6.322 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.332 9.034 -4.430 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.033 11.208 -4.093 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.406 12.044 -4.792 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.874 11.157 -3.007 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.524 10.277 -2.319 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.734 12.281 -1.040 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.315 12.488 -2.047 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.882 13.577 -3.077 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.343 14.100 -1.728 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.313 15.841 -2.026 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.937 15.814 -3.417 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.545 16.811 -2.983 1.00 0.00 H new ATOM 376 N ALA A 24 -3.108 10.533 -6.737 1.00 0.00 N ATOM 377 CA ALA A 24 -4.446 10.625 -7.318 1.00 0.00 C ATOM 378 C ALA A 24 -4.860 9.309 -7.977 1.00 0.00 C ATOM 379 O ALA A 24 -5.979 9.174 -8.471 1.00 0.00 O ATOM 380 CB ALA A 24 -4.510 11.761 -8.326 1.00 0.00 C ATOM 0 H ALA A 24 -2.368 10.924 -7.320 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.146 10.830 -6.508 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.513 11.816 -8.749 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.274 12.702 -7.829 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.789 11.581 -9.123 1.00 0.00 H new ATOM 386 N ASP A 25 -3.950 8.342 -7.992 1.00 0.00 N ATOM 387 CA ASP A 25 -4.258 7.016 -8.517 1.00 0.00 C ATOM 388 C ASP A 25 -4.587 6.077 -7.369 1.00 0.00 C ATOM 389 O ASP A 25 -4.909 4.905 -7.573 1.00 0.00 O ATOM 390 CB ASP A 25 -3.092 6.455 -9.339 1.00 0.00 C ATOM 391 CG ASP A 25 -2.919 7.168 -10.665 1.00 0.00 C ATOM 392 OD1 ASP A 25 -3.785 7.005 -11.548 1.00 0.00 O ATOM 393 OD2 ASP A 25 -1.923 7.908 -10.825 1.00 0.00 O ATOM 0 H ASP A 25 -2.996 8.450 -7.648 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.120 7.102 -9.178 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.171 6.540 -8.762 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.258 5.393 -9.520 1.00 0.00 H new ATOM 398 N LEU A 26 -4.502 6.608 -6.161 1.00 0.00 N ATOM 399 CA LEU A 26 -4.836 5.861 -4.965 1.00 0.00 C ATOM 400 C LEU A 26 -6.293 6.096 -4.604 1.00 0.00 C ATOM 401 O LEU A 26 -6.790 7.215 -4.738 1.00 0.00 O ATOM 402 CB LEU A 26 -3.938 6.284 -3.798 1.00 0.00 C ATOM 403 CG LEU A 26 -2.462 5.911 -3.942 1.00 0.00 C ATOM 404 CD1 LEU A 26 -1.643 6.527 -2.819 1.00 0.00 C ATOM 405 CD2 LEU A 26 -2.298 4.401 -3.950 1.00 0.00 C ATOM 0 H LEU A 26 -4.200 7.566 -5.984 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.676 4.801 -5.160 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.013 7.365 -3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.322 5.833 -2.883 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.097 6.306 -4.890 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.596 6.250 -2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.738 7.612 -2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.008 6.161 -1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.242 4.150 -4.053 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.679 3.989 -3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.855 3.979 -4.787 1.00 0.00 H new ATOM 417 N PRO A 27 -6.996 5.033 -4.178 1.00 0.00 N ATOM 418 CA PRO A 27 -8.369 5.131 -3.674 1.00 0.00 C ATOM 419 C PRO A 27 -8.539 6.274 -2.670 1.00 0.00 C ATOM 420 O PRO A 27 -7.991 6.234 -1.565 1.00 0.00 O ATOM 421 CB PRO A 27 -8.575 3.777 -3.001 1.00 0.00 C ATOM 422 CG PRO A 27 -7.733 2.848 -3.793 1.00 0.00 C ATOM 423 CD PRO A 27 -6.511 3.639 -4.175 1.00 0.00 C ATOM 0 HA PRO A 27 -9.091 5.348 -4.461 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.268 3.801 -1.955 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.623 3.478 -3.019 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.464 1.968 -3.209 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.264 2.494 -4.677 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.700 3.497 -3.461 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.130 3.344 -5.153 1.00 0.00 H new ATOM 431 N PRO A 28 -9.293 7.317 -3.057 1.00 0.00 N ATOM 432 CA PRO A 28 -9.441 8.540 -2.265 1.00 0.00 C ATOM 433 C PRO A 28 -10.362 8.364 -1.062 1.00 0.00 C ATOM 434 O PRO A 28 -11.413 9.012 -0.981 1.00 0.00 O ATOM 435 CB PRO A 28 -10.049 9.548 -3.254 1.00 0.00 C ATOM 436 CG PRO A 28 -10.058 8.870 -4.587 1.00 0.00 C ATOM 437 CD PRO A 28 -10.057 7.396 -4.305 1.00 0.00 C ATOM 0 HA PRO A 28 -8.486 8.854 -1.844 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.058 9.828 -2.953 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.460 10.465 -3.287 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.938 9.156 -5.163 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.185 9.155 -5.175 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.067 7.004 -4.189 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.585 6.829 -5.107 1.00 0.00 H new ATOM 445 N ALA A 29 -9.958 7.479 -0.144 1.00 0.00 N ATOM 446 CA ALA A 29 -10.673 7.220 1.111 1.00 0.00 C ATOM 447 C ALA A 29 -12.009 6.516 0.876 1.00 0.00 C ATOM 448 O ALA A 29 -12.236 5.416 1.382 1.00 0.00 O ATOM 449 CB ALA A 29 -10.875 8.508 1.905 1.00 0.00 C ATOM 0 H ALA A 29 -9.115 6.915 -0.253 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.049 6.547 1.699 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.407 8.286 2.830 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.905 8.946 2.141 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.457 9.213 1.312 1.00 0.00 H new ATOM 455 N ASN A 30 -12.883 7.151 0.113 1.00 0.00 N ATOM 456 CA ASN A 30 -14.181 6.579 -0.205 1.00 0.00 C ATOM 457 C ASN A 30 -14.026 5.461 -1.224 1.00 0.00 C ATOM 458 O ASN A 30 -14.236 4.294 -0.903 1.00 0.00 O ATOM 459 CB ASN A 30 -15.128 7.653 -0.745 1.00 0.00 C ATOM 460 CG ASN A 30 -15.406 8.749 0.265 1.00 0.00 C ATOM 461 OD1 ASN A 30 -14.696 9.756 0.317 1.00 0.00 O ATOM 462 ND2 ASN A 30 -16.438 8.562 1.072 1.00 0.00 N ATOM 0 H ASN A 30 -12.716 8.069 -0.300 1.00 0.00 H new ATOM 0 HA ASN A 30 -14.609 6.169 0.710 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.696 8.094 -1.644 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -16.069 7.188 -1.038 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -16.673 9.266 1.772 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -16.999 7.714 0.994 1.00 0.00 H new ATOM 469 N THR A 31 -13.631 5.835 -2.441 1.00 0.00 N ATOM 470 CA THR A 31 -13.444 4.883 -3.535 1.00 0.00 C ATOM 471 C THR A 31 -14.785 4.348 -4.035 1.00 0.00 C ATOM 472 O THR A 31 -15.695 4.063 -3.251 1.00 0.00 O ATOM 473 CB THR A 31 -12.540 3.711 -3.103 1.00 0.00 C ATOM 474 OG1 THR A 31 -11.402 4.227 -2.406 1.00 0.00 O ATOM 475 CG2 THR A 31 -12.077 2.895 -4.304 1.00 0.00 C ATOM 0 H THR A 31 -13.432 6.803 -2.695 1.00 0.00 H new ATOM 0 HA THR A 31 -12.956 5.417 -4.350 1.00 0.00 H new ATOM 0 HB THR A 31 -13.116 3.054 -2.451 1.00 0.00 H new ATOM 0 HG1 THR A 31 -11.172 3.627 -1.666 1.00 0.00 H new ATOM 0 HG21 THR A 31 -11.442 2.077 -3.965 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.945 2.489 -4.824 1.00 0.00 H new ATOM 0 HG23 THR A 31 -11.513 3.535 -4.983 1.00 0.00 H new ATOM 483 N ARG A 32 -14.916 4.236 -5.345 1.00 0.00 N ATOM 484 CA ARG A 32 -16.137 3.733 -5.937 1.00 0.00 C ATOM 485 C ARG A 32 -15.993 2.245 -6.240 1.00 0.00 C ATOM 486 O ARG A 32 -15.508 1.865 -7.311 1.00 0.00 O ATOM 487 CB ARG A 32 -16.482 4.543 -7.193 1.00 0.00 C ATOM 488 CG ARG A 32 -17.778 4.129 -7.860 1.00 0.00 C ATOM 489 CD ARG A 32 -18.391 5.274 -8.651 1.00 0.00 C ATOM 490 NE ARG A 32 -17.493 5.811 -9.673 1.00 0.00 N ATOM 491 CZ ARG A 32 -17.900 6.602 -10.663 1.00 0.00 C ATOM 492 NH1 ARG A 32 -19.175 6.957 -10.739 1.00 0.00 N ATOM 493 NH2 ARG A 32 -17.037 7.047 -11.567 1.00 0.00 N ATOM 0 H ARG A 32 -14.191 4.487 -6.017 1.00 0.00 H new ATOM 0 HA ARG A 32 -16.962 3.848 -5.234 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.544 5.598 -6.926 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.668 4.443 -7.911 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -17.592 3.285 -8.525 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -18.485 3.789 -7.103 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -19.308 4.928 -9.127 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -18.670 6.073 -7.965 1.00 0.00 H new ATOM 0 HE ARG A 32 -16.504 5.567 -9.625 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -19.840 6.624 -10.040 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -19.491 7.563 -11.496 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -16.054 6.783 -11.506 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -17.357 7.653 -12.323 1.00 0.00 H new ATOM 507 N ARG A 33 -16.375 1.419 -5.255 1.00 0.00 N ATOM 508 CA ARG A 33 -16.315 -0.044 -5.354 1.00 0.00 C ATOM 509 C ARG A 33 -14.873 -0.547 -5.240 1.00 0.00 C ATOM 510 O ARG A 33 -14.068 -0.403 -6.165 1.00 0.00 O ATOM 511 CB ARG A 33 -16.971 -0.533 -6.654 1.00 0.00 C ATOM 512 CG ARG A 33 -17.019 -2.044 -6.807 1.00 0.00 C ATOM 513 CD ARG A 33 -17.805 -2.441 -8.045 1.00 0.00 C ATOM 514 NE ARG A 33 -17.838 -3.889 -8.231 1.00 0.00 N ATOM 515 CZ ARG A 33 -18.896 -4.563 -8.682 1.00 0.00 C ATOM 516 NH1 ARG A 33 -20.036 -3.938 -8.939 1.00 0.00 N ATOM 517 NH2 ARG A 33 -18.813 -5.873 -8.856 1.00 0.00 N ATOM 0 H ARG A 33 -16.737 1.751 -4.361 1.00 0.00 H new ATOM 0 HA ARG A 33 -16.877 -0.460 -4.518 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -17.988 -0.143 -6.702 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.428 -0.112 -7.500 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -16.005 -2.439 -6.873 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -17.477 -2.488 -5.923 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -18.824 -2.063 -7.964 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -17.360 -1.973 -8.923 1.00 0.00 H new ATOM 0 HE ARG A 33 -16.997 -4.419 -8.001 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -20.110 -2.931 -8.792 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -20.839 -4.464 -9.284 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -17.943 -6.361 -8.645 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -19.619 -6.394 -9.201 1.00 0.00 H new ATOM 531 N TRP A 34 -14.555 -1.137 -4.095 1.00 0.00 N ATOM 532 CA TRP A 34 -13.208 -1.627 -3.825 1.00 0.00 C ATOM 533 C TRP A 34 -12.975 -2.983 -4.476 1.00 0.00 C ATOM 534 O TRP A 34 -13.255 -4.021 -3.878 1.00 0.00 O ATOM 535 CB TRP A 34 -12.965 -1.749 -2.318 1.00 0.00 C ATOM 536 CG TRP A 34 -12.807 -0.438 -1.615 1.00 0.00 C ATOM 537 CD1 TRP A 34 -13.801 0.396 -1.200 1.00 0.00 C ATOM 538 CD2 TRP A 34 -11.576 0.178 -1.232 1.00 0.00 C ATOM 539 NE1 TRP A 34 -13.263 1.497 -0.581 1.00 0.00 N ATOM 540 CE2 TRP A 34 -11.898 1.387 -0.592 1.00 0.00 C ATOM 541 CE3 TRP A 34 -10.231 -0.175 -1.373 1.00 0.00 C ATOM 542 CZ2 TRP A 34 -10.923 2.245 -0.091 1.00 0.00 C ATOM 543 CZ3 TRP A 34 -9.266 0.676 -0.876 1.00 0.00 C ATOM 544 CH2 TRP A 34 -9.615 1.873 -0.242 1.00 0.00 C ATOM 0 H TRP A 34 -15.216 -1.289 -3.333 1.00 0.00 H new ATOM 0 HA TRP A 34 -12.511 -0.904 -4.248 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -13.798 -2.291 -1.870 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -12.069 -2.348 -2.153 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -14.857 0.217 -1.338 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -13.793 2.270 -0.179 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -9.953 -1.097 -1.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -11.189 3.170 0.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -8.223 0.414 -0.978 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -8.835 2.517 0.136 1.00 0.00 H new ATOM 555 N VAL A 35 -12.484 -2.971 -5.703 1.00 0.00 N ATOM 556 CA VAL A 35 -12.112 -4.206 -6.375 1.00 0.00 C ATOM 557 C VAL A 35 -10.723 -4.641 -5.918 1.00 0.00 C ATOM 558 O VAL A 35 -10.014 -3.867 -5.267 1.00 0.00 O ATOM 559 CB VAL A 35 -12.133 -4.059 -7.914 1.00 0.00 C ATOM 560 CG1 VAL A 35 -13.519 -3.660 -8.392 1.00 0.00 C ATOM 561 CG2 VAL A 35 -11.095 -3.054 -8.385 1.00 0.00 C ATOM 0 H VAL A 35 -12.334 -2.125 -6.253 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.849 -4.963 -6.106 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.881 -5.027 -8.347 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.515 -3.561 -9.477 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.239 -4.425 -8.100 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.799 -2.708 -7.942 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.134 -2.973 -9.471 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.303 -2.081 -7.940 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.102 -3.387 -8.082 1.00 0.00 H new ATOM 571 N ALA A 36 -10.334 -5.862 -6.263 1.00 0.00 N ATOM 572 CA ALA A 36 -9.043 -6.403 -5.842 1.00 0.00 C ATOM 573 C ALA A 36 -7.892 -5.531 -6.334 1.00 0.00 C ATOM 574 O ALA A 36 -6.946 -5.262 -5.592 1.00 0.00 O ATOM 575 CB ALA A 36 -8.884 -7.832 -6.336 1.00 0.00 C ATOM 0 H ALA A 36 -10.892 -6.498 -6.833 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.015 -6.405 -4.752 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.918 -8.222 -6.015 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.681 -8.451 -5.923 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.939 -7.849 -7.424 1.00 0.00 H new ATOM 581 N SER A 37 -7.994 -5.072 -7.578 1.00 0.00 N ATOM 582 CA SER A 37 -6.975 -4.212 -8.169 1.00 0.00 C ATOM 583 C SER A 37 -6.826 -2.908 -7.383 1.00 0.00 C ATOM 584 O SER A 37 -5.738 -2.343 -7.301 1.00 0.00 O ATOM 585 CB SER A 37 -7.327 -3.906 -9.626 1.00 0.00 C ATOM 586 OG SER A 37 -7.550 -5.099 -10.357 1.00 0.00 O ATOM 0 H SER A 37 -8.776 -5.283 -8.198 1.00 0.00 H new ATOM 0 HA SER A 37 -6.023 -4.742 -8.131 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.218 -3.280 -9.664 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.519 -3.339 -10.087 1.00 0.00 H new ATOM 0 HG SER A 37 -7.775 -4.877 -11.285 1.00 0.00 H new ATOM 592 N ARG A 38 -7.921 -2.439 -6.792 1.00 0.00 N ATOM 593 CA ARG A 38 -7.895 -1.190 -6.040 1.00 0.00 C ATOM 594 C ARG A 38 -7.136 -1.361 -4.738 1.00 0.00 C ATOM 595 O ARG A 38 -6.286 -0.541 -4.404 1.00 0.00 O ATOM 596 CB ARG A 38 -9.311 -0.677 -5.754 1.00 0.00 C ATOM 597 CG ARG A 38 -10.020 -0.091 -6.967 1.00 0.00 C ATOM 598 CD ARG A 38 -9.406 1.233 -7.417 1.00 0.00 C ATOM 599 NE ARG A 38 -8.022 1.085 -7.880 1.00 0.00 N ATOM 600 CZ ARG A 38 -7.564 1.549 -9.046 1.00 0.00 C ATOM 601 NH1 ARG A 38 -8.369 2.196 -9.882 1.00 0.00 N ATOM 602 NH2 ARG A 38 -6.292 1.361 -9.381 1.00 0.00 N ATOM 0 H ARG A 38 -8.830 -2.901 -6.819 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.382 -0.451 -6.656 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.910 -1.498 -5.359 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.259 0.084 -4.975 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.978 -0.806 -7.789 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.073 0.062 -6.730 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.010 1.655 -8.220 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.435 1.942 -6.590 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.366 0.595 -7.271 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.348 2.343 -9.636 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.008 2.546 -10.770 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.666 0.863 -8.748 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.941 1.715 -10.271 1.00 0.00 H new ATOM 616 N LYS A 39 -7.429 -2.436 -4.023 1.00 0.00 N ATOM 617 CA LYS A 39 -6.821 -2.681 -2.720 1.00 0.00 C ATOM 618 C LYS A 39 -5.315 -2.895 -2.847 1.00 0.00 C ATOM 619 O LYS A 39 -4.526 -2.249 -2.154 1.00 0.00 O ATOM 620 CB LYS A 39 -7.470 -3.892 -2.053 1.00 0.00 C ATOM 621 CG LYS A 39 -8.968 -3.741 -1.854 1.00 0.00 C ATOM 622 CD LYS A 39 -9.528 -4.870 -1.010 1.00 0.00 C ATOM 623 CE LYS A 39 -11.016 -4.706 -0.767 1.00 0.00 C ATOM 624 NZ LYS A 39 -11.510 -5.643 0.274 1.00 0.00 N ATOM 0 H LYS A 39 -8.086 -3.156 -4.322 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.988 -1.801 -2.099 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.279 -4.777 -2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.998 -4.061 -1.085 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.179 -2.786 -1.373 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.466 -3.727 -2.823 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.344 -5.822 -1.508 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.005 -4.903 -0.054 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.224 -3.681 -0.462 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.558 -4.877 -1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.550 -5.623 0.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.186 -6.607 0.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.140 -5.356 1.203 1.00 0.00 H new ATOM 638 N ILE A 40 -4.926 -3.793 -3.745 1.00 0.00 N ATOM 639 CA ILE A 40 -3.521 -4.080 -3.992 1.00 0.00 C ATOM 640 C ILE A 40 -2.774 -2.820 -4.443 1.00 0.00 C ATOM 641 O ILE A 40 -1.597 -2.631 -4.119 1.00 0.00 O ATOM 642 CB ILE A 40 -3.369 -5.199 -5.048 1.00 0.00 C ATOM 643 CG1 ILE A 40 -4.035 -6.489 -4.549 1.00 0.00 C ATOM 644 CG2 ILE A 40 -1.904 -5.446 -5.369 1.00 0.00 C ATOM 645 CD1 ILE A 40 -3.926 -7.651 -5.514 1.00 0.00 C ATOM 0 H ILE A 40 -5.571 -4.338 -4.317 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.081 -4.423 -3.056 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.865 -4.878 -5.964 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.583 -6.775 -3.599 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.089 -6.290 -4.354 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.823 -6.237 -6.114 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.458 -4.532 -5.761 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.378 -5.746 -4.462 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.421 -8.524 -5.089 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.404 -7.387 -6.457 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.875 -7.879 -5.691 1.00 0.00 H new ATOM 657 N ALA A 41 -3.472 -1.951 -5.167 1.00 0.00 N ATOM 658 CA ALA A 41 -2.893 -0.697 -5.622 1.00 0.00 C ATOM 659 C ALA A 41 -2.580 0.227 -4.451 1.00 0.00 C ATOM 660 O ALA A 41 -1.612 0.984 -4.498 1.00 0.00 O ATOM 661 CB ALA A 41 -3.817 0.000 -6.608 1.00 0.00 C ATOM 0 H ALA A 41 -4.441 -2.095 -5.450 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.957 -0.934 -6.128 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.362 0.935 -6.934 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.980 -0.645 -7.472 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.772 0.209 -6.126 1.00 0.00 H new ATOM 667 N VAL A 42 -3.390 0.158 -3.395 1.00 0.00 N ATOM 668 CA VAL A 42 -3.178 1.008 -2.228 1.00 0.00 C ATOM 669 C VAL A 42 -1.892 0.615 -1.521 1.00 0.00 C ATOM 670 O VAL A 42 -1.019 1.449 -1.303 1.00 0.00 O ATOM 671 CB VAL A 42 -4.336 0.932 -1.210 1.00 0.00 C ATOM 672 CG1 VAL A 42 -4.225 2.059 -0.195 1.00 0.00 C ATOM 673 CG2 VAL A 42 -5.682 0.982 -1.899 1.00 0.00 C ATOM 0 H VAL A 42 -4.190 -0.471 -3.325 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.122 2.031 -2.601 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.259 -0.023 -0.691 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.049 1.991 0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.278 1.976 0.338 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.268 3.018 -0.710 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.475 0.926 -1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.772 1.915 -2.455 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.771 0.140 -2.586 1.00 0.00 H new ATOM 683 N VAL A 43 -1.774 -0.671 -1.186 1.00 0.00 N ATOM 684 CA VAL A 43 -0.594 -1.164 -0.474 1.00 0.00 C ATOM 685 C VAL A 43 0.678 -0.922 -1.286 1.00 0.00 C ATOM 686 O VAL A 43 1.688 -0.482 -0.745 1.00 0.00 O ATOM 687 CB VAL A 43 -0.697 -2.664 -0.102 1.00 0.00 C ATOM 688 CG1 VAL A 43 -0.731 -2.837 1.409 1.00 0.00 C ATOM 689 CG2 VAL A 43 -1.923 -3.314 -0.727 1.00 0.00 C ATOM 0 H VAL A 43 -2.474 -1.384 -1.394 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.546 -0.598 0.456 1.00 0.00 H new ATOM 0 HB VAL A 43 0.188 -3.161 -0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.804 -3.897 1.652 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.181 -2.427 1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.595 -2.311 1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.961 -4.366 -0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.822 -2.810 -0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.865 -3.233 -1.812 1.00 0.00 H new ATOM 699 N ARG A 44 0.619 -1.190 -2.587 1.00 0.00 N ATOM 700 CA ARG A 44 1.749 -0.923 -3.480 1.00 0.00 C ATOM 701 C ARG A 44 2.066 0.570 -3.526 1.00 0.00 C ATOM 702 O ARG A 44 3.229 0.974 -3.457 1.00 0.00 O ATOM 703 CB ARG A 44 1.440 -1.428 -4.894 1.00 0.00 C ATOM 704 CG ARG A 44 1.921 -2.843 -5.182 1.00 0.00 C ATOM 705 CD ARG A 44 1.262 -3.398 -6.440 1.00 0.00 C ATOM 706 NE ARG A 44 2.023 -4.489 -7.062 1.00 0.00 N ATOM 707 CZ ARG A 44 1.942 -5.773 -6.706 1.00 0.00 C ATOM 708 NH1 ARG A 44 1.263 -6.133 -5.624 1.00 0.00 N ATOM 709 NH2 ARG A 44 2.555 -6.698 -7.433 1.00 0.00 N ATOM 0 H ARG A 44 -0.197 -1.591 -3.049 1.00 0.00 H new ATOM 0 HA ARG A 44 2.619 -1.452 -3.090 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.363 -1.385 -5.053 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.896 -0.750 -5.615 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.004 -2.845 -5.303 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.694 -3.488 -4.333 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.264 -3.757 -6.190 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.139 -2.592 -7.163 1.00 0.00 H new ATOM 0 HE ARG A 44 2.660 -4.248 -7.821 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.797 -5.426 -5.056 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.207 -7.117 -5.361 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.086 -6.427 -8.261 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.495 -7.680 -7.164 1.00 0.00 H new ATOM 723 N GLY A 45 1.021 1.383 -3.623 1.00 0.00 N ATOM 724 CA GLY A 45 1.195 2.809 -3.774 1.00 0.00 C ATOM 725 C GLY A 45 1.751 3.490 -2.537 1.00 0.00 C ATOM 726 O GLY A 45 2.694 4.268 -2.632 1.00 0.00 O ATOM 0 H GLY A 45 0.049 1.073 -3.599 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.864 2.998 -4.614 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.234 3.259 -4.025 1.00 0.00 H new ATOM 730 N VAL A 46 1.176 3.210 -1.376 1.00 0.00 N ATOM 731 CA VAL A 46 1.607 3.880 -0.154 1.00 0.00 C ATOM 732 C VAL A 46 2.966 3.363 0.319 1.00 0.00 C ATOM 733 O VAL A 46 3.872 4.154 0.563 1.00 0.00 O ATOM 734 CB VAL A 46 0.565 3.767 0.989 1.00 0.00 C ATOM 735 CG1 VAL A 46 -0.720 4.477 0.605 1.00 0.00 C ATOM 736 CG2 VAL A 46 0.279 2.315 1.356 1.00 0.00 C ATOM 0 H VAL A 46 0.422 2.535 -1.253 1.00 0.00 H new ATOM 0 HA VAL A 46 1.702 4.936 -0.407 1.00 0.00 H new ATOM 0 HB VAL A 46 0.990 4.250 1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.441 4.389 1.417 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.512 5.530 0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.131 4.023 -0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.456 2.281 2.160 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.112 1.790 0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.200 1.835 1.686 1.00 0.00 H new ATOM 746 N ILE A 47 3.106 2.040 0.387 1.00 0.00 N ATOM 747 CA ILE A 47 4.307 1.399 0.924 1.00 0.00 C ATOM 748 C ILE A 47 5.548 1.736 0.105 1.00 0.00 C ATOM 749 O ILE A 47 6.596 2.076 0.653 1.00 0.00 O ATOM 750 CB ILE A 47 4.114 -0.139 0.977 1.00 0.00 C ATOM 751 CG1 ILE A 47 3.155 -0.510 2.115 1.00 0.00 C ATOM 752 CG2 ILE A 47 5.440 -0.876 1.126 1.00 0.00 C ATOM 753 CD1 ILE A 47 2.893 -1.998 2.236 1.00 0.00 C ATOM 0 H ILE A 47 2.392 1.383 0.072 1.00 0.00 H new ATOM 0 HA ILE A 47 4.459 1.784 1.932 1.00 0.00 H new ATOM 0 HB ILE A 47 3.679 -0.453 0.028 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.566 -0.145 3.057 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.207 0.005 1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.258 -1.950 1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.083 -0.643 0.277 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.929 -0.563 2.048 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.206 -2.180 3.062 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.452 -2.366 1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.832 -2.519 2.423 1.00 0.00 H new ATOM 765 N TYR A 48 5.422 1.647 -1.205 1.00 0.00 N ATOM 766 CA TYR A 48 6.558 1.828 -2.091 1.00 0.00 C ATOM 767 C TYR A 48 6.663 3.274 -2.573 1.00 0.00 C ATOM 768 O TYR A 48 7.761 3.791 -2.787 1.00 0.00 O ATOM 769 CB TYR A 48 6.412 0.860 -3.270 1.00 0.00 C ATOM 770 CG TYR A 48 7.478 0.974 -4.337 1.00 0.00 C ATOM 771 CD1 TYR A 48 8.823 0.792 -4.040 1.00 0.00 C ATOM 772 CD2 TYR A 48 7.125 1.241 -5.651 1.00 0.00 C ATOM 773 CE1 TYR A 48 9.787 0.880 -5.029 1.00 0.00 C ATOM 774 CE2 TYR A 48 8.081 1.333 -6.644 1.00 0.00 C ATOM 775 CZ TYR A 48 9.408 1.151 -6.329 1.00 0.00 C ATOM 776 OH TYR A 48 10.360 1.232 -7.319 1.00 0.00 O ATOM 0 H TYR A 48 4.542 1.450 -1.681 1.00 0.00 H new ATOM 0 HA TYR A 48 7.479 1.611 -1.550 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.415 -0.159 -2.884 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.439 1.022 -3.733 1.00 0.00 H new ATOM 0 HD1 TYR A 48 9.120 0.579 -3.024 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.084 1.380 -5.903 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.830 0.738 -4.786 1.00 0.00 H new ATOM 0 HE2 TYR A 48 7.789 1.547 -7.661 1.00 0.00 H new ATOM 0 HH TYR A 48 9.926 1.428 -8.175 1.00 0.00 H new ATOM 786 N GLY A 49 5.521 3.927 -2.733 1.00 0.00 N ATOM 787 CA GLY A 49 5.502 5.245 -3.335 1.00 0.00 C ATOM 788 C GLY A 49 5.347 6.402 -2.359 1.00 0.00 C ATOM 789 O GLY A 49 6.187 7.304 -2.330 1.00 0.00 O ATOM 0 H GLY A 49 4.607 3.568 -2.457 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.427 5.384 -3.895 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.685 5.286 -4.055 1.00 0.00 H new ATOM 793 N LEU A 50 4.291 6.384 -1.553 1.00 0.00 N ATOM 794 CA LEU A 50 3.818 7.611 -0.922 1.00 0.00 C ATOM 795 C LEU A 50 4.374 7.841 0.485 1.00 0.00 C ATOM 796 O LEU A 50 5.291 8.643 0.662 1.00 0.00 O ATOM 797 CB LEU A 50 2.286 7.618 -0.893 1.00 0.00 C ATOM 798 CG LEU A 50 1.647 8.927 -0.418 1.00 0.00 C ATOM 799 CD1 LEU A 50 2.073 10.081 -1.311 1.00 0.00 C ATOM 800 CD2 LEU A 50 0.130 8.810 -0.395 1.00 0.00 C ATOM 0 H LEU A 50 3.754 5.548 -1.324 1.00 0.00 H new ATOM 0 HA LEU A 50 4.193 8.435 -1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.919 7.396 -1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.947 6.811 -0.244 1.00 0.00 H new ATOM 0 HG LEU A 50 1.992 9.125 0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.610 11.003 -0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.158 10.184 -1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.757 9.884 -2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.302 9.751 -0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.233 8.586 -1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.163 8.009 0.284 1.00 0.00 H new ATOM 812 N ILE A 51 3.839 7.138 1.479 1.00 0.00 N ATOM 813 CA ILE A 51 4.153 7.451 2.873 1.00 0.00 C ATOM 814 C ILE A 51 4.064 6.230 3.779 1.00 0.00 C ATOM 815 O ILE A 51 3.730 5.130 3.340 1.00 0.00 O ATOM 816 CB ILE A 51 3.234 8.565 3.450 1.00 0.00 C ATOM 817 CG1 ILE A 51 1.791 8.449 2.931 1.00 0.00 C ATOM 818 CG2 ILE A 51 3.797 9.945 3.140 1.00 0.00 C ATOM 819 CD1 ILE A 51 1.039 7.230 3.422 1.00 0.00 C ATOM 0 H ILE A 51 3.195 6.358 1.351 1.00 0.00 H new ATOM 0 HA ILE A 51 5.183 7.808 2.858 1.00 0.00 H new ATOM 0 HB ILE A 51 3.207 8.429 4.531 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.240 9.342 3.226 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.811 8.432 1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.138 10.708 3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.788 10.042 3.584 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.870 10.074 2.060 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.032 7.232 3.005 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.562 6.328 3.104 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.982 7.252 4.510 1.00 0.00 H new ATOM 831 N THR A 52 4.354 6.452 5.055 1.00 0.00 N ATOM 832 CA THR A 52 4.312 5.401 6.052 1.00 0.00 C ATOM 833 C THR A 52 2.873 5.052 6.420 1.00 0.00 C ATOM 834 O THR A 52 1.935 5.794 6.114 1.00 0.00 O ATOM 835 CB THR A 52 5.075 5.825 7.322 1.00 0.00 C ATOM 836 OG1 THR A 52 4.531 7.051 7.828 1.00 0.00 O ATOM 837 CG2 THR A 52 6.560 6.008 7.035 1.00 0.00 C ATOM 0 H THR A 52 4.624 7.364 5.423 1.00 0.00 H new ATOM 0 HA THR A 52 4.790 4.521 5.622 1.00 0.00 H new ATOM 0 HB THR A 52 4.962 5.036 8.065 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.018 7.316 8.636 1.00 0.00 H new ATOM 0 HG21 THR A 52 7.073 6.307 7.949 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.979 5.069 6.674 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.692 6.779 6.276 1.00 0.00 H new ATOM 845 N LEU A 53 2.709 3.922 7.093 1.00 0.00 N ATOM 846 CA LEU A 53 1.396 3.445 7.487 1.00 0.00 C ATOM 847 C LEU A 53 0.764 4.382 8.509 1.00 0.00 C ATOM 848 O LEU A 53 -0.443 4.382 8.682 1.00 0.00 O ATOM 849 CB LEU A 53 1.489 2.018 8.043 1.00 0.00 C ATOM 850 CG LEU A 53 0.159 1.391 8.476 1.00 0.00 C ATOM 851 CD1 LEU A 53 -0.854 1.423 7.341 1.00 0.00 C ATOM 852 CD2 LEU A 53 0.379 -0.039 8.946 1.00 0.00 C ATOM 0 H LEU A 53 3.478 3.316 7.378 1.00 0.00 H new ATOM 0 HA LEU A 53 0.758 3.429 6.604 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.942 1.380 7.284 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.164 2.023 8.899 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.240 1.978 9.304 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.789 0.972 7.675 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.035 2.456 7.044 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.465 0.864 6.490 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.574 -0.472 9.251 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.802 -0.628 8.133 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.066 -0.042 9.792 1.00 0.00 H new ATOM 864 N ALA A 54 1.580 5.190 9.171 1.00 0.00 N ATOM 865 CA ALA A 54 1.067 6.169 10.122 1.00 0.00 C ATOM 866 C ALA A 54 0.116 7.141 9.429 1.00 0.00 C ATOM 867 O ALA A 54 -1.011 7.352 9.879 1.00 0.00 O ATOM 868 CB ALA A 54 2.216 6.920 10.779 1.00 0.00 C ATOM 0 H ALA A 54 2.595 5.188 9.069 1.00 0.00 H new ATOM 0 HA ALA A 54 0.511 5.642 10.897 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.818 7.647 11.486 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.857 6.214 11.307 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.797 7.437 10.015 1.00 0.00 H new ATOM 874 N GLU A 55 0.568 7.701 8.314 1.00 0.00 N ATOM 875 CA GLU A 55 -0.230 8.654 7.550 1.00 0.00 C ATOM 876 C GLU A 55 -1.407 7.931 6.898 1.00 0.00 C ATOM 877 O GLU A 55 -2.563 8.342 7.035 1.00 0.00 O ATOM 878 CB GLU A 55 0.656 9.331 6.495 1.00 0.00 C ATOM 879 CG GLU A 55 0.184 10.712 6.051 1.00 0.00 C ATOM 880 CD GLU A 55 -0.996 10.685 5.098 1.00 0.00 C ATOM 881 OE1 GLU A 55 -0.775 10.560 3.877 1.00 0.00 O ATOM 882 OE2 GLU A 55 -2.146 10.820 5.564 1.00 0.00 O ATOM 0 H GLU A 55 1.488 7.511 7.916 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.627 9.423 8.213 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.667 9.419 6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.713 8.684 5.620 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.088 11.292 6.933 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.014 11.231 5.571 1.00 0.00 H new ATOM 889 N ALA A 56 -1.099 6.835 6.212 1.00 0.00 N ATOM 890 CA ALA A 56 -2.111 6.011 5.558 1.00 0.00 C ATOM 891 C ALA A 56 -3.176 5.536 6.535 1.00 0.00 C ATOM 892 O ALA A 56 -4.335 5.549 6.201 1.00 0.00 O ATOM 893 CB ALA A 56 -1.459 4.822 4.867 1.00 0.00 C ATOM 0 H ALA A 56 -0.145 6.494 6.094 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.606 6.632 4.811 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.226 4.217 4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.753 5.179 4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.931 4.217 5.604 1.00 0.00 H new ATOM 899 N LYS A 57 -2.793 5.132 7.738 1.00 0.00 N ATOM 900 CA LYS A 57 -3.765 4.628 8.707 1.00 0.00 C ATOM 901 C LYS A 57 -4.694 5.743 9.185 1.00 0.00 C ATOM 902 O LYS A 57 -5.912 5.563 9.249 1.00 0.00 O ATOM 903 CB LYS A 57 -3.048 3.966 9.892 1.00 0.00 C ATOM 904 CG LYS A 57 -3.977 3.410 10.959 1.00 0.00 C ATOM 905 CD LYS A 57 -3.260 2.416 11.866 1.00 0.00 C ATOM 906 CE LYS A 57 -2.001 3.004 12.486 1.00 0.00 C ATOM 907 NZ LYS A 57 -1.339 2.041 13.413 1.00 0.00 N ATOM 0 H LYS A 57 -1.828 5.141 8.067 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.379 3.875 8.213 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.422 3.157 9.516 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.383 4.697 10.352 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.375 4.229 11.558 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.827 2.921 10.483 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.937 2.096 12.658 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.999 1.527 11.292 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.304 3.286 11.696 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.254 3.915 13.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.485 2.478 13.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.995 1.791 14.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.075 1.182 12.890 1.00 0.00 H new ATOM 921 N GLN A 58 -4.125 6.902 9.480 1.00 0.00 N ATOM 922 CA GLN A 58 -4.909 8.026 9.985 1.00 0.00 C ATOM 923 C GLN A 58 -5.880 8.560 8.930 1.00 0.00 C ATOM 924 O GLN A 58 -6.990 8.985 9.260 1.00 0.00 O ATOM 925 CB GLN A 58 -3.989 9.146 10.468 1.00 0.00 C ATOM 926 CG GLN A 58 -3.192 8.783 11.712 1.00 0.00 C ATOM 927 CD GLN A 58 -2.273 9.900 12.156 1.00 0.00 C ATOM 928 OE1 GLN A 58 -2.554 11.080 11.930 1.00 0.00 O ATOM 929 NE2 GLN A 58 -1.168 9.544 12.788 1.00 0.00 N ATOM 0 H GLN A 58 -3.128 7.092 9.380 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.499 7.661 10.826 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.298 9.408 9.667 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.588 10.033 10.676 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.879 8.539 12.522 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.602 7.888 11.514 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.972 8.557 12.956 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.512 10.256 13.108 1.00 0.00 H new ATOM 938 N THR A 59 -5.473 8.538 7.671 1.00 0.00 N ATOM 939 CA THR A 59 -6.310 9.064 6.601 1.00 0.00 C ATOM 940 C THR A 59 -7.043 7.949 5.850 1.00 0.00 C ATOM 941 O THR A 59 -8.270 7.950 5.758 1.00 0.00 O ATOM 942 CB THR A 59 -5.473 9.880 5.598 1.00 0.00 C ATOM 943 OG1 THR A 59 -4.641 10.812 6.297 1.00 0.00 O ATOM 944 CG2 THR A 59 -6.375 10.633 4.630 1.00 0.00 C ATOM 0 H THR A 59 -4.575 8.165 7.365 1.00 0.00 H new ATOM 0 HA THR A 59 -7.050 9.711 7.072 1.00 0.00 H new ATOM 0 HB THR A 59 -4.850 9.188 5.032 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.796 10.923 5.813 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.763 11.203 3.931 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.990 9.922 4.078 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.018 11.314 5.187 1.00 0.00 H new ATOM 952 N TYR A 60 -6.284 6.995 5.330 1.00 0.00 N ATOM 953 CA TYR A 60 -6.827 5.944 4.476 1.00 0.00 C ATOM 954 C TYR A 60 -6.909 4.612 5.221 1.00 0.00 C ATOM 955 O TYR A 60 -7.040 3.564 4.597 1.00 0.00 O ATOM 956 CB TYR A 60 -5.962 5.750 3.223 1.00 0.00 C ATOM 957 CG TYR A 60 -5.577 7.032 2.512 1.00 0.00 C ATOM 958 CD1 TYR A 60 -4.416 7.718 2.853 1.00 0.00 C ATOM 959 CD2 TYR A 60 -6.369 7.551 1.493 1.00 0.00 C ATOM 960 CE1 TYR A 60 -4.057 8.881 2.202 1.00 0.00 C ATOM 961 CE2 TYR A 60 -6.013 8.716 0.837 1.00 0.00 C ATOM 962 CZ TYR A 60 -4.856 9.376 1.196 1.00 0.00 C ATOM 963 OH TYR A 60 -4.497 10.537 0.551 1.00 0.00 O ATOM 0 H TYR A 60 -5.278 6.926 5.486 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.829 6.259 4.185 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.052 5.220 3.505 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.499 5.110 2.523 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -3.785 7.334 3.641 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.275 7.037 1.210 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.152 9.401 2.481 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.638 9.107 0.048 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.165 10.751 -0.133 1.00 0.00 H new ATOM 973 N GLY A 61 -6.822 4.655 6.552 1.00 0.00 N ATOM 974 CA GLY A 61 -6.663 3.442 7.338 1.00 0.00 C ATOM 975 C GLY A 61 -7.844 2.498 7.279 1.00 0.00 C ATOM 976 O GLY A 61 -7.696 1.323 7.614 1.00 0.00 O ATOM 0 H GLY A 61 -6.859 5.514 7.101 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.774 2.914 6.993 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.486 3.718 8.377 1.00 0.00 H new ATOM 980 N LEU A 62 -9.001 3.007 6.849 1.00 0.00 N ATOM 981 CA LEU A 62 -10.232 2.217 6.752 1.00 0.00 C ATOM 982 C LEU A 62 -10.527 1.535 8.088 1.00 0.00 C ATOM 983 O LEU A 62 -11.101 2.131 8.998 1.00 0.00 O ATOM 984 CB LEU A 62 -10.140 1.154 5.638 1.00 0.00 C ATOM 985 CG LEU A 62 -9.140 1.441 4.513 1.00 0.00 C ATOM 986 CD1 LEU A 62 -7.959 0.479 4.584 1.00 0.00 C ATOM 987 CD2 LEU A 62 -9.806 1.344 3.159 1.00 0.00 C ATOM 0 H LEU A 62 -9.111 3.978 6.558 1.00 0.00 H new ATOM 0 HA LEU A 62 -11.043 2.901 6.502 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.878 0.200 6.095 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.129 1.034 5.196 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.773 2.459 4.645 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.261 0.700 3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.453 0.594 5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.318 -0.545 4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.075 1.552 2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.207 0.340 3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.617 2.070 3.099 1.00 0.00 H new ATOM 999 N SER A 63 -10.095 0.292 8.190 1.00 0.00 N ATOM 1000 CA SER A 63 -10.142 -0.465 9.418 1.00 0.00 C ATOM 1001 C SER A 63 -8.999 -1.466 9.378 1.00 0.00 C ATOM 1002 O SER A 63 -8.584 -1.869 8.285 1.00 0.00 O ATOM 1003 CB SER A 63 -11.490 -1.183 9.562 1.00 0.00 C ATOM 1004 OG SER A 63 -11.609 -1.817 10.828 1.00 0.00 O ATOM 0 H SER A 63 -9.696 -0.225 7.406 1.00 0.00 H new ATOM 0 HA SER A 63 -10.039 0.196 10.278 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.301 -0.466 9.435 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.595 -1.925 8.771 1.00 0.00 H new ATOM 0 HG SER A 63 -12.315 -2.496 10.789 1.00 0.00 H new ATOM 1010 N ASP A 64 -8.481 -1.845 10.546 1.00 0.00 N ATOM 1011 CA ASP A 64 -7.383 -2.808 10.627 1.00 0.00 C ATOM 1012 C ASP A 64 -7.684 -4.024 9.768 1.00 0.00 C ATOM 1013 O ASP A 64 -6.879 -4.418 8.936 1.00 0.00 O ATOM 1014 CB ASP A 64 -7.152 -3.251 12.078 1.00 0.00 C ATOM 1015 CG ASP A 64 -6.102 -4.338 12.190 1.00 0.00 C ATOM 1016 OD1 ASP A 64 -6.466 -5.529 12.093 1.00 0.00 O ATOM 1017 OD2 ASP A 64 -4.913 -4.007 12.387 1.00 0.00 O ATOM 0 H ASP A 64 -8.804 -1.500 11.450 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.480 -2.321 10.260 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.845 -2.391 12.673 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.091 -3.612 12.499 1.00 0.00 H new ATOM 1022 N GLU A 65 -8.882 -4.562 9.957 1.00 0.00 N ATOM 1023 CA GLU A 65 -9.345 -5.764 9.265 1.00 0.00 C ATOM 1024 C GLU A 65 -9.147 -5.666 7.749 1.00 0.00 C ATOM 1025 O GLU A 65 -8.681 -6.613 7.109 1.00 0.00 O ATOM 1026 CB GLU A 65 -10.828 -5.954 9.576 1.00 0.00 C ATOM 1027 CG GLU A 65 -11.151 -5.795 11.053 1.00 0.00 C ATOM 1028 CD GLU A 65 -12.568 -5.320 11.288 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -12.884 -4.181 10.882 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -13.364 -6.071 11.889 1.00 0.00 O ATOM 0 H GLU A 65 -9.570 -4.173 10.602 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.759 -6.614 9.614 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.409 -5.231 9.003 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.138 -6.946 9.247 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.002 -6.749 11.559 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.455 -5.085 11.500 1.00 0.00 H new ATOM 1037 N GLU A 66 -9.498 -4.514 7.187 1.00 0.00 N ATOM 1038 CA GLU A 66 -9.426 -4.300 5.746 1.00 0.00 C ATOM 1039 C GLU A 66 -7.976 -4.336 5.273 1.00 0.00 C ATOM 1040 O GLU A 66 -7.579 -5.234 4.534 1.00 0.00 O ATOM 1041 CB GLU A 66 -10.067 -2.958 5.383 1.00 0.00 C ATOM 1042 CG GLU A 66 -10.124 -2.676 3.885 1.00 0.00 C ATOM 1043 CD GLU A 66 -11.018 -3.641 3.130 1.00 0.00 C ATOM 1044 OE1 GLU A 66 -12.250 -3.443 3.132 1.00 0.00 O ATOM 1045 OE2 GLU A 66 -10.494 -4.605 2.533 1.00 0.00 O ATOM 0 H GLU A 66 -9.838 -3.708 7.712 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.972 -5.100 5.247 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.080 -2.932 5.785 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.510 -2.158 5.871 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.482 -1.659 3.727 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.116 -2.727 3.473 1.00 0.00 H new ATOM 1052 N PHE A 67 -7.183 -3.379 5.744 1.00 0.00 N ATOM 1053 CA PHE A 67 -5.787 -3.247 5.333 1.00 0.00 C ATOM 1054 C PHE A 67 -5.004 -4.523 5.655 1.00 0.00 C ATOM 1055 O PHE A 67 -4.116 -4.934 4.906 1.00 0.00 O ATOM 1056 CB PHE A 67 -5.151 -2.044 6.042 1.00 0.00 C ATOM 1057 CG PHE A 67 -3.764 -1.704 5.561 1.00 0.00 C ATOM 1058 CD1 PHE A 67 -3.582 -0.828 4.505 1.00 0.00 C ATOM 1059 CD2 PHE A 67 -2.643 -2.256 6.168 1.00 0.00 C ATOM 1060 CE1 PHE A 67 -2.313 -0.506 4.059 1.00 0.00 C ATOM 1061 CE2 PHE A 67 -1.372 -1.939 5.727 1.00 0.00 C ATOM 1062 CZ PHE A 67 -1.208 -1.062 4.671 1.00 0.00 C ATOM 0 H PHE A 67 -7.486 -2.676 6.418 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.754 -3.089 4.255 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.794 -1.175 5.905 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -5.112 -2.246 7.112 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.443 -0.390 4.022 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.766 -2.941 6.994 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -2.187 0.179 3.234 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.508 -2.376 6.207 1.00 0.00 H new ATOM 0 HZ PHE A 67 -0.216 -0.812 4.325 1.00 0.00 H new ATOM 1072 N ASN A 68 -5.352 -5.139 6.779 1.00 0.00 N ATOM 1073 CA ASN A 68 -4.721 -6.375 7.239 1.00 0.00 C ATOM 1074 C ASN A 68 -4.833 -7.461 6.176 1.00 0.00 C ATOM 1075 O ASN A 68 -3.862 -8.158 5.869 1.00 0.00 O ATOM 1076 CB ASN A 68 -5.417 -6.843 8.518 1.00 0.00 C ATOM 1077 CG ASN A 68 -4.479 -7.437 9.546 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -3.479 -8.069 9.214 1.00 0.00 O ATOM 1079 ND2 ASN A 68 -4.793 -7.209 10.814 1.00 0.00 N ATOM 0 H ASN A 68 -6.083 -4.795 7.401 1.00 0.00 H new ATOM 0 HA ASN A 68 -3.665 -6.184 7.433 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.941 -5.998 8.964 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.172 -7.585 8.258 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.194 -7.564 11.559 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.634 -6.679 11.044 1.00 0.00 H new ATOM 1086 N SER A 69 -6.023 -7.576 5.601 1.00 0.00 N ATOM 1087 CA SER A 69 -6.303 -8.597 4.607 1.00 0.00 C ATOM 1088 C SER A 69 -5.477 -8.387 3.340 1.00 0.00 C ATOM 1089 O SER A 69 -5.089 -9.355 2.684 1.00 0.00 O ATOM 1090 CB SER A 69 -7.795 -8.598 4.270 1.00 0.00 C ATOM 1091 OG SER A 69 -8.574 -8.804 5.439 1.00 0.00 O ATOM 0 H SER A 69 -6.814 -6.968 5.810 1.00 0.00 H new ATOM 0 HA SER A 69 -6.025 -9.563 5.028 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.069 -7.650 3.807 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.008 -9.381 3.542 1.00 0.00 H new ATOM 0 HG SER A 69 -8.567 -7.990 5.984 1.00 0.00 H new ATOM 1097 N TRP A 70 -5.187 -7.128 3.012 1.00 0.00 N ATOM 1098 CA TRP A 70 -4.426 -6.816 1.807 1.00 0.00 C ATOM 1099 C TRP A 70 -3.038 -7.428 1.899 1.00 0.00 C ATOM 1100 O TRP A 70 -2.601 -8.151 1.005 1.00 0.00 O ATOM 1101 CB TRP A 70 -4.304 -5.301 1.606 1.00 0.00 C ATOM 1102 CG TRP A 70 -5.613 -4.568 1.594 1.00 0.00 C ATOM 1103 CD1 TRP A 70 -6.869 -5.107 1.617 1.00 0.00 C ATOM 1104 CD2 TRP A 70 -5.789 -3.150 1.548 1.00 0.00 C ATOM 1105 NE1 TRP A 70 -7.810 -4.108 1.611 1.00 0.00 N ATOM 1106 CE2 TRP A 70 -7.172 -2.898 1.562 1.00 0.00 C ATOM 1107 CE3 TRP A 70 -4.907 -2.069 1.505 1.00 0.00 C ATOM 1108 CZ2 TRP A 70 -7.692 -1.606 1.531 1.00 0.00 C ATOM 1109 CZ3 TRP A 70 -5.425 -0.791 1.474 1.00 0.00 C ATOM 1110 CH2 TRP A 70 -6.805 -0.569 1.485 1.00 0.00 C ATOM 0 H TRP A 70 -5.466 -6.315 3.561 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.958 -7.236 0.954 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.680 -4.891 2.400 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -3.788 -5.112 0.665 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -7.089 -6.164 1.637 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -8.820 -4.245 1.639 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.839 -2.230 1.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -8.758 -1.431 1.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -4.752 0.053 1.441 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -7.178 0.444 1.457 1.00 0.00 H new ATOM 1121 N VAL A 71 -2.363 -7.157 3.007 1.00 0.00 N ATOM 1122 CA VAL A 71 -1.007 -7.640 3.211 1.00 0.00 C ATOM 1123 C VAL A 71 -0.995 -9.154 3.399 1.00 0.00 C ATOM 1124 O VAL A 71 -0.085 -9.834 2.935 1.00 0.00 O ATOM 1125 CB VAL A 71 -0.343 -6.965 4.430 1.00 0.00 C ATOM 1126 CG1 VAL A 71 1.131 -7.337 4.533 1.00 0.00 C ATOM 1127 CG2 VAL A 71 -0.514 -5.453 4.367 1.00 0.00 C ATOM 0 H VAL A 71 -2.734 -6.604 3.779 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.436 -7.383 2.319 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.842 -7.331 5.327 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.570 -6.846 5.401 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.227 -8.417 4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.652 -7.014 3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.039 -4.997 5.235 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.050 -5.072 3.457 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.576 -5.207 4.363 1.00 0.00 H new ATOM 1137 N SER A 72 -2.019 -9.681 4.061 1.00 0.00 N ATOM 1138 CA SER A 72 -2.124 -11.117 4.278 1.00 0.00 C ATOM 1139 C SER A 72 -2.244 -11.855 2.943 1.00 0.00 C ATOM 1140 O SER A 72 -1.604 -12.888 2.735 1.00 0.00 O ATOM 1141 CB SER A 72 -3.328 -11.431 5.174 1.00 0.00 C ATOM 1142 OG SER A 72 -3.435 -12.825 5.433 1.00 0.00 O ATOM 0 H SER A 72 -2.786 -9.136 4.455 1.00 0.00 H new ATOM 0 HA SER A 72 -1.218 -11.459 4.778 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.232 -10.891 6.116 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.241 -11.078 4.695 1.00 0.00 H new ATOM 0 HG SER A 72 -4.211 -12.992 6.008 1.00 0.00 H new ATOM 1148 N ALA A 73 -3.035 -11.298 2.030 1.00 0.00 N ATOM 1149 CA ALA A 73 -3.259 -11.921 0.732 1.00 0.00 C ATOM 1150 C ALA A 73 -2.027 -11.783 -0.149 1.00 0.00 C ATOM 1151 O ALA A 73 -1.782 -12.605 -1.032 1.00 0.00 O ATOM 1152 CB ALA A 73 -4.472 -11.304 0.053 1.00 0.00 C ATOM 0 H ALA A 73 -3.531 -10.417 2.166 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.450 -12.983 0.887 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.628 -11.779 -0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.353 -11.454 0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.306 -10.236 -0.089 1.00 0.00 H new ATOM 1158 N LEU A 74 -1.254 -10.740 0.099 1.00 0.00 N ATOM 1159 CA LEU A 74 -0.036 -10.495 -0.652 1.00 0.00 C ATOM 1160 C LEU A 74 1.124 -11.309 -0.087 1.00 0.00 C ATOM 1161 O LEU A 74 2.071 -11.647 -0.802 1.00 0.00 O ATOM 1162 CB LEU A 74 0.283 -9.000 -0.636 1.00 0.00 C ATOM 1163 CG LEU A 74 -0.719 -8.134 -1.406 1.00 0.00 C ATOM 1164 CD1 LEU A 74 -0.429 -6.660 -1.205 1.00 0.00 C ATOM 1165 CD2 LEU A 74 -0.696 -8.475 -2.888 1.00 0.00 C ATOM 0 H LEU A 74 -1.450 -10.045 0.820 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.185 -10.812 -1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.320 -8.659 0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.277 -8.848 -1.058 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.714 -8.346 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.154 -6.067 -1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.499 -6.417 -0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.575 -6.435 -1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.415 -7.849 -3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.303 -8.297 -3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.959 -9.524 -3.024 1.00 0.00 H new ATOM 1177 N ALA A 75 1.043 -11.625 1.200 1.00 0.00 N ATOM 1178 CA ALA A 75 2.039 -12.462 1.849 1.00 0.00 C ATOM 1179 C ALA A 75 1.822 -13.924 1.487 1.00 0.00 C ATOM 1180 O ALA A 75 2.784 -14.649 1.220 1.00 0.00 O ATOM 1181 CB ALA A 75 1.985 -12.283 3.359 1.00 0.00 C ATOM 0 H ALA A 75 0.293 -11.311 1.816 1.00 0.00 H new ATOM 0 HA ALA A 75 3.024 -12.157 1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.737 -12.917 3.828 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.182 -11.241 3.609 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.997 -12.563 3.723 1.00 0.00 H new ATOM 1187 N GLU A 76 0.552 -14.341 1.496 1.00 0.00 N ATOM 1188 CA GLU A 76 0.148 -15.710 1.157 1.00 0.00 C ATOM 1189 C GLU A 76 0.535 -16.712 2.240 1.00 0.00 C ATOM 1190 O GLU A 76 -0.274 -17.554 2.633 1.00 0.00 O ATOM 1191 CB GLU A 76 0.725 -16.143 -0.196 1.00 0.00 C ATOM 1192 CG GLU A 76 -0.077 -15.648 -1.384 1.00 0.00 C ATOM 1193 CD GLU A 76 -1.397 -16.378 -1.532 1.00 0.00 C ATOM 1194 OE1 GLU A 76 -2.310 -16.156 -0.709 1.00 0.00 O ATOM 1195 OE2 GLU A 76 -1.521 -17.201 -2.466 1.00 0.00 O ATOM 0 H GLU A 76 -0.230 -13.734 1.740 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.940 -15.703 1.087 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.748 -15.775 -0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.774 -17.231 -0.229 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.266 -14.580 -1.273 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.510 -15.775 -2.294 1.00 0.00 H new ATOM 1202 N HIS A 77 1.763 -16.618 2.720 1.00 0.00 N ATOM 1203 CA HIS A 77 2.266 -17.544 3.720 1.00 0.00 C ATOM 1204 C HIS A 77 2.074 -16.985 5.125 1.00 0.00 C ATOM 1205 O HIS A 77 1.155 -17.384 5.841 1.00 0.00 O ATOM 1206 CB HIS A 77 3.748 -17.857 3.478 1.00 0.00 C ATOM 1207 CG HIS A 77 4.037 -18.484 2.148 1.00 0.00 C ATOM 1208 ND1 HIS A 77 4.173 -19.839 1.975 1.00 0.00 N ATOM 1209 CD2 HIS A 77 4.233 -17.931 0.927 1.00 0.00 C ATOM 1210 CE1 HIS A 77 4.440 -20.097 0.710 1.00 0.00 C ATOM 1211 NE2 HIS A 77 4.483 -18.957 0.049 1.00 0.00 N ATOM 0 H HIS A 77 2.433 -15.906 2.431 1.00 0.00 H new ATOM 0 HA HIS A 77 1.695 -18.468 3.633 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.321 -16.934 3.563 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.100 -18.524 4.265 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.199 -16.878 0.688 1.00 0.00 H new ATOM 0 HE1 HIS A 77 4.597 -21.078 0.286 1.00 0.00 H new ATOM 0 HE2 HIS A 77 4.671 -18.854 -0.948 1.00 0.00 H new ATOM 1220 N GLY A 78 2.936 -16.057 5.521 1.00 0.00 N ATOM 1221 CA GLY A 78 2.848 -15.491 6.854 1.00 0.00 C ATOM 1222 C GLY A 78 3.879 -16.095 7.783 1.00 0.00 C ATOM 1223 O GLY A 78 4.311 -15.466 8.750 1.00 0.00 O ATOM 0 H GLY A 78 3.692 -15.687 4.945 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.991 -14.412 6.802 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.850 -15.661 7.257 1.00 0.00 H new ATOM 1227 N LYS A 79 4.260 -17.328 7.490 1.00 0.00 N ATOM 1228 CA LYS A 79 5.337 -17.991 8.207 1.00 0.00 C ATOM 1229 C LYS A 79 6.655 -17.303 7.874 1.00 0.00 C ATOM 1230 O LYS A 79 7.578 -17.246 8.690 1.00 0.00 O ATOM 1231 CB LYS A 79 5.392 -19.469 7.812 1.00 0.00 C ATOM 1232 CG LYS A 79 6.396 -20.291 8.603 1.00 0.00 C ATOM 1233 CD LYS A 79 6.053 -20.314 10.083 1.00 0.00 C ATOM 1234 CE LYS A 79 6.914 -21.311 10.843 1.00 0.00 C ATOM 1235 NZ LYS A 79 6.765 -22.690 10.305 1.00 0.00 N ATOM 0 H LYS A 79 3.836 -17.893 6.755 1.00 0.00 H new ATOM 0 HA LYS A 79 5.160 -17.927 9.281 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.401 -19.905 7.941 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.636 -19.541 6.752 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.418 -21.310 8.217 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.395 -19.877 8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.191 -19.318 10.504 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.001 -20.571 10.209 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.959 -21.008 10.784 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.638 -21.300 11.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.692 -23.364 11.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.905 -22.744 9.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.594 -22.927 9.723 1.00 0.00 H new ATOM 1249 N ASP A 80 6.703 -16.747 6.672 1.00 0.00 N ATOM 1250 CA ASP A 80 7.878 -16.058 6.162 1.00 0.00 C ATOM 1251 C ASP A 80 7.740 -14.557 6.352 1.00 0.00 C ATOM 1252 O ASP A 80 8.197 -13.769 5.521 1.00 0.00 O ATOM 1253 CB ASP A 80 8.073 -16.380 4.677 1.00 0.00 C ATOM 1254 CG ASP A 80 6.906 -15.940 3.803 1.00 0.00 C ATOM 1255 OD1 ASP A 80 5.771 -15.811 4.318 1.00 0.00 O ATOM 1256 OD2 ASP A 80 7.118 -15.765 2.584 1.00 0.00 O ATOM 0 H ASP A 80 5.920 -16.762 6.018 1.00 0.00 H new ATOM 0 HA ASP A 80 8.749 -16.401 6.720 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.984 -15.896 4.325 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.218 -17.454 4.562 1.00 0.00 H new ATOM 1261 N ALA A 81 7.141 -14.163 7.473 1.00 0.00 N ATOM 1262 CA ALA A 81 6.965 -12.751 7.801 1.00 0.00 C ATOM 1263 C ALA A 81 8.310 -12.078 8.077 1.00 0.00 C ATOM 1264 O ALA A 81 8.383 -10.870 8.306 1.00 0.00 O ATOM 1265 CB ALA A 81 6.038 -12.595 8.999 1.00 0.00 C ATOM 0 H ALA A 81 6.768 -14.805 8.172 1.00 0.00 H new ATOM 0 HA ALA A 81 6.511 -12.259 6.940 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.917 -11.537 9.230 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.066 -13.028 8.765 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.467 -13.108 9.860 1.00 0.00 H new ATOM 1271 N LEU A 82 9.369 -12.875 8.062 1.00 0.00 N ATOM 1272 CA LEU A 82 10.720 -12.364 8.217 1.00 0.00 C ATOM 1273 C LEU A 82 11.268 -11.942 6.853 1.00 0.00 C ATOM 1274 O LEU A 82 12.268 -11.224 6.757 1.00 0.00 O ATOM 1275 CB LEU A 82 11.616 -13.432 8.854 1.00 0.00 C ATOM 1276 CG LEU A 82 13.029 -12.976 9.221 1.00 0.00 C ATOM 1277 CD1 LEU A 82 12.972 -11.857 10.250 1.00 0.00 C ATOM 1278 CD2 LEU A 82 13.847 -14.146 9.747 1.00 0.00 C ATOM 0 H LEU A 82 9.315 -13.887 7.943 1.00 0.00 H new ATOM 0 HA LEU A 82 10.705 -11.494 8.873 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.127 -13.800 9.756 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.692 -14.274 8.166 1.00 0.00 H new ATOM 0 HG LEU A 82 13.515 -12.595 8.323 1.00 0.00 H new ATOM 0 HD11 LEU A 82 13.985 -11.542 10.502 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.421 -11.011 9.838 1.00 0.00 H new ATOM 0 HD13 LEU A 82 12.469 -12.214 11.149 1.00 0.00 H new ATOM 0 HD21 LEU A 82 14.849 -13.803 10.003 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.366 -14.556 10.635 1.00 0.00 H new ATOM 0 HD23 LEU A 82 13.912 -14.918 8.980 1.00 0.00 H new ATOM 1290 N LYS A 83 10.594 -12.393 5.800 1.00 0.00 N ATOM 1291 CA LYS A 83 10.956 -12.022 4.444 1.00 0.00 C ATOM 1292 C LYS A 83 9.945 -11.014 3.900 1.00 0.00 C ATOM 1293 O LYS A 83 10.093 -9.819 4.134 1.00 0.00 O ATOM 1294 CB LYS A 83 11.023 -13.262 3.539 1.00 0.00 C ATOM 1295 CG LYS A 83 11.485 -12.961 2.118 1.00 0.00 C ATOM 1296 CD LYS A 83 11.299 -14.159 1.199 1.00 0.00 C ATOM 1297 CE LYS A 83 9.828 -14.525 1.050 1.00 0.00 C ATOM 1298 NZ LYS A 83 9.609 -15.579 0.025 1.00 0.00 N ATOM 0 H LYS A 83 9.791 -13.019 5.864 1.00 0.00 H new ATOM 0 HA LYS A 83 11.945 -11.563 4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.701 -13.990 3.985 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.037 -13.726 3.500 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.926 -12.112 1.726 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.536 -12.672 2.131 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.721 -13.936 0.219 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.849 -15.012 1.596 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.443 -14.869 2.010 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.260 -13.635 0.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.594 -15.794 -0.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.952 -15.243 -0.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.128 -16.439 0.295 1.00 0.00 H new ATOM 1312 N VAL A 84 8.895 -11.526 3.237 1.00 0.00 N ATOM 1313 CA VAL A 84 7.863 -10.708 2.579 1.00 0.00 C ATOM 1314 C VAL A 84 8.465 -9.530 1.807 1.00 0.00 C ATOM 1315 O VAL A 84 8.796 -8.501 2.389 1.00 0.00 O ATOM 1316 CB VAL A 84 6.809 -10.188 3.583 1.00 0.00 C ATOM 1317 CG1 VAL A 84 5.678 -9.473 2.853 1.00 0.00 C ATOM 1318 CG2 VAL A 84 6.261 -11.328 4.430 1.00 0.00 C ATOM 0 H VAL A 84 8.737 -12.529 3.142 1.00 0.00 H new ATOM 0 HA VAL A 84 7.368 -11.369 1.867 1.00 0.00 H new ATOM 0 HB VAL A 84 7.296 -9.473 4.246 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.947 -9.115 3.577 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.082 -8.627 2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.196 -10.165 2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.521 -10.939 5.129 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.793 -12.070 3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.076 -11.793 4.985 1.00 0.00 H new ATOM 1328 N THR A 85 8.573 -9.680 0.495 1.00 0.00 N ATOM 1329 CA THR A 85 9.228 -8.686 -0.360 1.00 0.00 C ATOM 1330 C THR A 85 8.739 -7.261 -0.085 1.00 0.00 C ATOM 1331 O THR A 85 9.539 -6.330 0.026 1.00 0.00 O ATOM 1332 CB THR A 85 9.012 -9.022 -1.845 1.00 0.00 C ATOM 1333 OG1 THR A 85 7.639 -9.368 -2.070 1.00 0.00 O ATOM 1334 CG2 THR A 85 9.911 -10.171 -2.279 1.00 0.00 C ATOM 0 H THR A 85 8.212 -10.489 -0.011 1.00 0.00 H new ATOM 0 HA THR A 85 10.291 -8.726 -0.122 1.00 0.00 H new ATOM 0 HB THR A 85 9.268 -8.143 -2.437 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.506 -9.580 -3.018 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.739 -10.389 -3.333 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.954 -9.892 -2.132 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.684 -11.055 -1.684 1.00 0.00 H new ATOM 1342 N ALA A 86 7.429 -7.102 0.054 1.00 0.00 N ATOM 1343 CA ALA A 86 6.835 -5.790 0.285 1.00 0.00 C ATOM 1344 C ALA A 86 7.130 -5.268 1.693 1.00 0.00 C ATOM 1345 O ALA A 86 7.177 -4.061 1.916 1.00 0.00 O ATOM 1346 CB ALA A 86 5.335 -5.848 0.049 1.00 0.00 C ATOM 0 H ALA A 86 6.756 -7.867 0.011 1.00 0.00 H new ATOM 0 HA ALA A 86 7.287 -5.094 -0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.901 -4.864 0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.140 -6.153 -0.979 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.887 -6.569 0.733 1.00 0.00 H new ATOM 1352 N LEU A 87 7.356 -6.179 2.629 1.00 0.00 N ATOM 1353 CA LEU A 87 7.542 -5.810 4.028 1.00 0.00 C ATOM 1354 C LEU A 87 9.019 -5.563 4.298 1.00 0.00 C ATOM 1355 O LEU A 87 9.392 -4.601 4.972 1.00 0.00 O ATOM 1356 CB LEU A 87 6.988 -6.916 4.944 1.00 0.00 C ATOM 1357 CG LEU A 87 6.920 -6.603 6.452 1.00 0.00 C ATOM 1358 CD1 LEU A 87 8.274 -6.792 7.123 1.00 0.00 C ATOM 1359 CD2 LEU A 87 6.408 -5.189 6.686 1.00 0.00 C ATOM 0 H LEU A 87 7.415 -7.181 2.446 1.00 0.00 H new ATOM 0 HA LEU A 87 6.994 -4.892 4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.983 -7.167 4.604 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.602 -7.807 4.810 1.00 0.00 H new ATOM 0 HG LEU A 87 6.221 -7.308 6.902 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.189 -6.563 8.185 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.600 -7.825 7.000 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.003 -6.124 6.665 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.368 -4.989 7.757 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.079 -4.475 6.209 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.410 -5.089 6.261 1.00 0.00 H new ATOM 1371 N LYS A 88 9.853 -6.438 3.755 1.00 0.00 N ATOM 1372 CA LYS A 88 11.293 -6.294 3.864 1.00 0.00 C ATOM 1373 C LYS A 88 11.727 -4.982 3.228 1.00 0.00 C ATOM 1374 O LYS A 88 12.571 -4.267 3.768 1.00 0.00 O ATOM 1375 CB LYS A 88 11.992 -7.474 3.183 1.00 0.00 C ATOM 1376 CG LYS A 88 13.500 -7.479 3.351 1.00 0.00 C ATOM 1377 CD LYS A 88 14.098 -8.772 2.828 1.00 0.00 C ATOM 1378 CE LYS A 88 15.591 -8.837 3.084 1.00 0.00 C ATOM 1379 NZ LYS A 88 16.158 -10.157 2.706 1.00 0.00 N ATOM 0 H LYS A 88 9.552 -7.260 3.231 1.00 0.00 H new ATOM 0 HA LYS A 88 11.574 -6.286 4.917 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.589 -8.403 3.586 1.00 0.00 H new ATOM 0 HB3 LYS A 88 11.755 -7.458 2.119 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.932 -6.632 2.818 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.753 -7.356 4.404 1.00 0.00 H new ATOM 0 HD2 LYS A 88 13.608 -9.620 3.306 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.907 -8.856 1.758 1.00 0.00 H new ATOM 0 HE2 LYS A 88 16.091 -8.051 2.518 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.788 -8.645 4.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 17.181 -10.163 2.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.698 -10.905 3.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 15.993 -10.329 1.694 1.00 0.00 H new ATOM 1393 N LYS A 89 11.112 -4.660 2.093 1.00 0.00 N ATOM 1394 CA LYS A 89 11.387 -3.403 1.410 1.00 0.00 C ATOM 1395 C LYS A 89 10.896 -2.253 2.260 1.00 0.00 C ATOM 1396 O LYS A 89 11.586 -1.258 2.425 1.00 0.00 O ATOM 1397 CB LYS A 89 10.686 -3.354 0.057 1.00 0.00 C ATOM 1398 CG LYS A 89 11.249 -2.312 -0.899 1.00 0.00 C ATOM 1399 CD LYS A 89 10.504 -2.325 -2.228 1.00 0.00 C ATOM 1400 CE LYS A 89 10.603 -3.682 -2.915 1.00 0.00 C ATOM 1401 NZ LYS A 89 11.985 -3.975 -3.387 1.00 0.00 N ATOM 0 H LYS A 89 10.422 -5.251 1.629 1.00 0.00 H new ATOM 0 HA LYS A 89 12.463 -3.325 1.251 1.00 0.00 H new ATOM 0 HB2 LYS A 89 10.755 -4.336 -0.411 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.627 -3.151 0.216 1.00 0.00 H new ATOM 0 HG2 LYS A 89 11.175 -1.323 -0.447 1.00 0.00 H new ATOM 0 HG3 LYS A 89 12.308 -2.506 -1.071 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.456 -2.077 -2.060 1.00 0.00 H new ATOM 0 HD3 LYS A 89 10.913 -1.555 -2.882 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.284 -4.462 -2.223 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.918 -3.709 -3.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 11.991 -4.876 -3.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.307 -3.211 -4.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 12.624 -4.043 -2.569 1.00 0.00 H new ATOM 1415 N TYR A 90 9.697 -2.415 2.806 1.00 0.00 N ATOM 1416 CA TYR A 90 9.074 -1.395 3.634 1.00 0.00 C ATOM 1417 C TYR A 90 9.972 -1.030 4.809 1.00 0.00 C ATOM 1418 O TYR A 90 10.238 0.141 5.052 1.00 0.00 O ATOM 1419 CB TYR A 90 7.723 -1.898 4.143 1.00 0.00 C ATOM 1420 CG TYR A 90 6.871 -0.830 4.777 1.00 0.00 C ATOM 1421 CD1 TYR A 90 6.553 0.330 4.083 1.00 0.00 C ATOM 1422 CD2 TYR A 90 6.376 -0.984 6.062 1.00 0.00 C ATOM 1423 CE1 TYR A 90 5.767 1.305 4.651 1.00 0.00 C ATOM 1424 CE2 TYR A 90 5.586 -0.013 6.639 1.00 0.00 C ATOM 1425 CZ TYR A 90 5.284 1.128 5.928 1.00 0.00 C ATOM 1426 OH TYR A 90 4.495 2.095 6.491 1.00 0.00 O ATOM 0 H TYR A 90 9.132 -3.256 2.687 1.00 0.00 H new ATOM 0 HA TYR A 90 8.922 -0.501 3.029 1.00 0.00 H new ATOM 0 HB2 TYR A 90 7.174 -2.340 3.311 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.893 -2.692 4.870 1.00 0.00 H new ATOM 0 HD1 TYR A 90 6.929 0.469 3.080 1.00 0.00 H new ATOM 0 HD2 TYR A 90 6.613 -1.878 6.620 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.530 2.203 4.099 1.00 0.00 H new ATOM 0 HE2 TYR A 90 5.206 -0.146 7.641 1.00 0.00 H new ATOM 0 HH TYR A 90 5.061 2.798 6.872 1.00 0.00 H new ATOM 1436 N ARG A 91 10.440 -2.037 5.530 1.00 0.00 N ATOM 1437 CA ARG A 91 11.309 -1.808 6.677 1.00 0.00 C ATOM 1438 C ARG A 91 12.618 -1.151 6.250 1.00 0.00 C ATOM 1439 O ARG A 91 13.030 -0.148 6.827 1.00 0.00 O ATOM 1440 CB ARG A 91 11.592 -3.122 7.400 1.00 0.00 C ATOM 1441 CG ARG A 91 12.632 -2.996 8.503 1.00 0.00 C ATOM 1442 CD ARG A 91 12.847 -4.317 9.228 1.00 0.00 C ATOM 1443 NE ARG A 91 13.151 -5.420 8.312 1.00 0.00 N ATOM 1444 CZ ARG A 91 14.359 -5.662 7.792 1.00 0.00 C ATOM 1445 NH1 ARG A 91 15.367 -4.819 7.998 1.00 0.00 N ATOM 1446 NH2 ARG A 91 14.548 -6.742 7.044 1.00 0.00 N ATOM 0 H ARG A 91 10.234 -3.018 5.343 1.00 0.00 H new ATOM 0 HA ARG A 91 10.794 -1.132 7.360 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.663 -3.499 7.828 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.931 -3.861 6.674 1.00 0.00 H new ATOM 0 HG2 ARG A 91 13.576 -2.657 8.076 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.315 -2.236 9.217 1.00 0.00 H new ATOM 0 HD2 ARG A 91 13.664 -4.207 9.942 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.953 -4.562 9.802 1.00 0.00 H new ATOM 0 HE ARG A 91 12.389 -6.046 8.053 1.00 0.00 H new ATOM 0 HH11 ARG A 91 15.223 -3.978 8.557 1.00 0.00 H new ATOM 0 HH12 ARG A 91 16.284 -5.013 7.597 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.774 -7.383 6.868 1.00 0.00 H new ATOM 0 HH22 ARG A 91 15.467 -6.931 6.645 1.00 0.00 H new ATOM 1460 N GLN A 92 13.250 -1.714 5.225 1.00 0.00 N ATOM 1461 CA GLN A 92 14.512 -1.188 4.710 1.00 0.00 C ATOM 1462 C GLN A 92 14.335 0.253 4.228 1.00 0.00 C ATOM 1463 O GLN A 92 15.187 1.115 4.459 1.00 0.00 O ATOM 1464 CB GLN A 92 15.000 -2.068 3.557 1.00 0.00 C ATOM 1465 CG GLN A 92 16.329 -1.630 2.957 1.00 0.00 C ATOM 1466 CD GLN A 92 16.739 -2.486 1.774 1.00 0.00 C ATOM 1467 OE1 GLN A 92 16.395 -3.666 1.696 1.00 0.00 O ATOM 1468 NE2 GLN A 92 17.480 -1.900 0.846 1.00 0.00 N ATOM 0 H GLN A 92 12.908 -2.539 4.732 1.00 0.00 H new ATOM 0 HA GLN A 92 15.251 -1.196 5.511 1.00 0.00 H new ATOM 0 HB2 GLN A 92 15.095 -3.094 3.913 1.00 0.00 H new ATOM 0 HB3 GLN A 92 14.244 -2.072 2.772 1.00 0.00 H new ATOM 0 HG2 GLN A 92 16.257 -0.589 2.641 1.00 0.00 H new ATOM 0 HG3 GLN A 92 17.104 -1.678 3.722 1.00 0.00 H new ATOM 0 HE21 GLN A 92 17.744 -0.920 0.948 1.00 0.00 H new ATOM 0 HE22 GLN A 92 17.787 -2.429 0.029 1.00 0.00 H new ATOM 1477 N LEU A 93 13.211 0.496 3.574 1.00 0.00 N ATOM 1478 CA LEU A 93 12.877 1.811 3.051 1.00 0.00 C ATOM 1479 C LEU A 93 12.578 2.792 4.185 1.00 0.00 C ATOM 1480 O LEU A 93 12.878 3.979 4.081 1.00 0.00 O ATOM 1481 CB LEU A 93 11.678 1.692 2.097 1.00 0.00 C ATOM 1482 CG LEU A 93 11.222 2.998 1.439 1.00 0.00 C ATOM 1483 CD1 LEU A 93 12.332 3.581 0.573 1.00 0.00 C ATOM 1484 CD2 LEU A 93 9.964 2.766 0.611 1.00 0.00 C ATOM 0 H LEU A 93 12.503 -0.215 3.390 1.00 0.00 H new ATOM 0 HA LEU A 93 13.733 2.201 2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.931 0.980 1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.838 1.272 2.650 1.00 0.00 H new ATOM 0 HG LEU A 93 10.991 3.716 2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.987 4.508 0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.207 3.785 1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.597 2.868 -0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.653 3.704 0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.171 2.031 -0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 93 9.167 2.397 1.256 1.00 0.00 H new