USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 559 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 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -3.9! K(o=-3.9!,f=-2.4) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0251 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot -29:sc= 0.0169 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 37:sc= 0.0146 USER MOD Single : A 39 LYS NZ :NH3+ -111:sc= -0.0961 (180deg=-1.42) USER MOD Single : A 40 MET CE :methyl -127:sc= -0.276 (180deg=-3.14!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 90:sc= -1.58 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= -1.84! C(o=-1.8!,f=-4.4!) USER MOD Single : A 68 MET CE :methyl -121:sc= -5.87! (180deg=-6.83!) USER MOD Single : A 69 ASN : amide:sc= -0.512 K(o=-0.51,f=-1.3!) USER MOD Single : A 72 LYS NZ :NH3+ 176:sc= -1.73 (180deg=-1.78) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -1.2 X(o=-1.2,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 163 N PRO A 8 -9.778 -0.331 -4.821 1.00 0.00 N ATOM 164 CA PRO A 8 -8.329 -0.111 -4.827 1.00 0.00 C ATOM 165 C PRO A 8 -7.546 -1.392 -4.561 1.00 0.00 C ATOM 166 O PRO A 8 -7.933 -2.203 -3.720 1.00 0.00 O ATOM 167 CB PRO A 8 -8.117 0.891 -3.691 1.00 0.00 C ATOM 168 CG PRO A 8 -9.272 0.675 -2.775 1.00 0.00 C ATOM 169 CD PRO A 8 -10.429 0.284 -3.653 1.00 0.00 C ATOM 0 HA PRO A 8 -7.975 0.241 -5.796 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.169 0.717 -3.181 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.094 1.915 -4.065 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.052 -0.107 -2.048 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.498 1.580 -2.212 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.096 -0.416 -3.150 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.029 1.149 -3.936 1.00 0.00 H new ATOM 177 N ARG A 9 -6.444 -1.568 -5.282 1.00 0.00 N ATOM 178 CA ARG A 9 -5.607 -2.752 -5.124 1.00 0.00 C ATOM 179 C ARG A 9 -4.134 -2.366 -5.021 1.00 0.00 C ATOM 180 O ARG A 9 -3.248 -3.196 -5.230 1.00 0.00 O ATOM 181 CB ARG A 9 -5.815 -3.710 -6.297 1.00 0.00 C ATOM 182 CG ARG A 9 -7.113 -4.497 -6.219 1.00 0.00 C ATOM 183 CD ARG A 9 -7.299 -5.388 -7.437 1.00 0.00 C ATOM 184 NE ARG A 9 -7.414 -4.613 -8.669 1.00 0.00 N ATOM 185 CZ ARG A 9 -6.370 -4.191 -9.372 1.00 0.00 C ATOM 186 NH1 ARG A 9 -5.138 -4.466 -8.967 1.00 0.00 N ATOM 187 NH2 ARG A 9 -6.555 -3.490 -10.484 1.00 0.00 N ATOM 0 H ARG A 9 -6.109 -0.906 -5.982 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.899 -3.252 -4.201 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.801 -3.141 -7.227 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -4.979 -4.408 -6.337 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.116 -5.108 -5.316 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.953 -3.808 -6.140 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.455 -6.073 -7.517 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.193 -5.997 -7.307 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.348 -4.383 -9.008 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.990 -5.003 -8.113 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.338 -4.140 -9.510 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.501 -3.275 -10.800 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.751 -3.167 -11.023 1.00 0.00 H new ATOM 201 N THR A 10 -3.880 -1.102 -4.698 1.00 0.00 N ATOM 202 CA THR A 10 -2.515 -0.606 -4.571 1.00 0.00 C ATOM 203 C THR A 10 -2.300 0.069 -3.221 1.00 0.00 C ATOM 204 O THR A 10 -3.162 0.805 -2.739 1.00 0.00 O ATOM 205 CB THR A 10 -2.173 0.393 -5.693 1.00 0.00 C ATOM 206 OG1 THR A 10 -2.579 -0.135 -6.960 1.00 0.00 O ATOM 207 CG2 THR A 10 -0.682 0.691 -5.715 1.00 0.00 C ATOM 0 H THR A 10 -4.601 -0.403 -4.520 1.00 0.00 H new ATOM 0 HA THR A 10 -1.855 -1.470 -4.652 1.00 0.00 H new ATOM 0 HB THR A 10 -2.710 1.322 -5.499 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.360 0.507 -7.667 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.464 1.398 -6.515 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.383 1.121 -4.759 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.129 -0.232 -5.887 1.00 0.00 H new ATOM 215 N LEU A 11 -1.146 -0.186 -2.615 1.00 0.00 N ATOM 216 CA LEU A 11 -0.816 0.399 -1.320 1.00 0.00 C ATOM 217 C LEU A 11 0.566 1.042 -1.348 1.00 0.00 C ATOM 218 O LEU A 11 1.474 0.558 -2.025 1.00 0.00 O ATOM 219 CB LEU A 11 -0.871 -0.670 -0.227 1.00 0.00 C ATOM 220 CG LEU A 11 -1.903 -1.781 -0.426 1.00 0.00 C ATOM 221 CD1 LEU A 11 -1.595 -2.965 0.477 1.00 0.00 C ATOM 222 CD2 LEU A 11 -3.307 -1.257 -0.161 1.00 0.00 C ATOM 0 H LEU A 11 -0.423 -0.794 -2.999 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.552 1.173 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.115 -1.128 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.075 -0.178 0.724 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.851 -2.118 -1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.340 -3.745 0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.605 -3.356 0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.618 -2.644 1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.029 -2.061 -0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.372 -0.893 0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.527 -0.442 -0.850 1.00 0.00 H new ATOM 234 N TYR A 12 0.720 2.134 -0.607 1.00 0.00 N ATOM 235 CA TYR A 12 1.992 2.844 -0.547 1.00 0.00 C ATOM 236 C TYR A 12 2.732 2.528 0.748 1.00 0.00 C ATOM 237 O TYR A 12 2.197 2.708 1.843 1.00 0.00 O ATOM 238 CB TYR A 12 1.764 4.352 -0.663 1.00 0.00 C ATOM 239 CG TYR A 12 2.827 5.180 0.024 1.00 0.00 C ATOM 240 CD1 TYR A 12 2.781 5.406 1.395 1.00 0.00 C ATOM 241 CD2 TYR A 12 3.877 5.735 -0.696 1.00 0.00 C ATOM 242 CE1 TYR A 12 3.749 6.161 2.027 1.00 0.00 C ATOM 243 CE2 TYR A 12 4.850 6.491 -0.071 1.00 0.00 C ATOM 244 CZ TYR A 12 4.781 6.701 1.290 1.00 0.00 C ATOM 245 OH TYR A 12 5.749 7.454 1.916 1.00 0.00 O ATOM 0 H TYR A 12 -0.020 2.547 -0.040 1.00 0.00 H new ATOM 0 HA TYR A 12 2.605 2.511 -1.384 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.728 4.625 -1.718 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.792 4.598 -0.236 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.974 4.984 1.976 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.934 5.573 -1.762 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.698 6.327 3.093 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.660 6.915 -0.645 1.00 0.00 H new ATOM 0 HH TYR A 12 6.404 7.759 1.255 1.00 0.00 H new ATOM 255 N VAL A 13 3.968 2.056 0.617 1.00 0.00 N ATOM 256 CA VAL A 13 4.785 1.716 1.776 1.00 0.00 C ATOM 257 C VAL A 13 5.857 2.772 2.022 1.00 0.00 C ATOM 258 O VAL A 13 6.688 3.041 1.155 1.00 0.00 O ATOM 259 CB VAL A 13 5.460 0.343 1.603 1.00 0.00 C ATOM 260 CG1 VAL A 13 6.078 -0.117 2.915 1.00 0.00 C ATOM 261 CG2 VAL A 13 4.461 -0.680 1.087 1.00 0.00 C ATOM 0 H VAL A 13 4.426 1.900 -0.281 1.00 0.00 H new ATOM 0 HA VAL A 13 4.115 1.677 2.635 1.00 0.00 H new ATOM 0 HB VAL A 13 6.258 0.440 0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.550 -1.089 2.774 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.826 0.607 3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.300 -0.199 3.675 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.955 -1.645 0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.640 -0.776 1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.071 -0.354 0.123 1.00 0.00 H new ATOM 271 N GLY A 14 5.833 3.367 3.210 1.00 0.00 N ATOM 272 CA GLY A 14 6.809 4.386 3.549 1.00 0.00 C ATOM 273 C GLY A 14 7.528 4.090 4.850 1.00 0.00 C ATOM 274 O GLY A 14 7.095 3.241 5.628 1.00 0.00 O ATOM 0 H GLY A 14 5.155 3.162 3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.539 4.467 2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.310 5.352 3.625 1.00 0.00 H new ATOM 278 N ASN A 15 8.633 4.790 5.087 1.00 0.00 N ATOM 279 CA ASN A 15 9.416 4.596 6.301 1.00 0.00 C ATOM 280 C ASN A 15 10.144 3.256 6.271 1.00 0.00 C ATOM 281 O ASN A 15 10.159 2.523 7.260 1.00 0.00 O ATOM 282 CB ASN A 15 8.511 4.670 7.533 1.00 0.00 C ATOM 283 CG ASN A 15 9.285 4.979 8.801 1.00 0.00 C ATOM 284 OD1 ASN A 15 9.326 6.124 9.252 1.00 0.00 O ATOM 285 ND2 ASN A 15 9.902 3.957 9.381 1.00 0.00 N ATOM 0 H ASN A 15 9.006 5.497 4.453 1.00 0.00 H new ATOM 0 HA ASN A 15 10.159 5.392 6.355 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.752 5.437 7.378 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.986 3.722 7.653 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.438 4.104 10.236 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.840 3.025 8.971 1.00 0.00 H new ATOM 292 N LEU A 16 10.749 2.943 5.130 1.00 0.00 N ATOM 293 CA LEU A 16 11.480 1.692 4.970 1.00 0.00 C ATOM 294 C LEU A 16 12.977 1.905 5.175 1.00 0.00 C ATOM 295 O LEU A 16 13.527 2.931 4.777 1.00 0.00 O ATOM 296 CB LEU A 16 11.223 1.102 3.582 1.00 0.00 C ATOM 297 CG LEU A 16 9.767 0.775 3.251 1.00 0.00 C ATOM 298 CD1 LEU A 16 9.577 0.646 1.748 1.00 0.00 C ATOM 299 CD2 LEU A 16 9.332 -0.502 3.956 1.00 0.00 C ATOM 0 H LEU A 16 10.747 3.539 4.302 1.00 0.00 H new ATOM 0 HA LEU A 16 11.124 0.993 5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.595 1.804 2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.811 0.190 3.482 1.00 0.00 H new ATOM 0 HG LEU A 16 9.142 1.594 3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.534 0.413 1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.847 1.585 1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.214 -0.153 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.293 -0.718 3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.962 -1.330 3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.429 -0.373 5.034 1.00 0.00 H new ATOM 311 N SER A 17 13.629 0.929 5.797 1.00 0.00 N ATOM 312 CA SER A 17 15.062 1.011 6.056 1.00 0.00 C ATOM 313 C SER A 17 15.859 0.791 4.773 1.00 0.00 C ATOM 314 O SER A 17 15.455 0.021 3.903 1.00 0.00 O ATOM 315 CB SER A 17 15.471 -0.023 7.107 1.00 0.00 C ATOM 316 OG SER A 17 16.881 -0.149 7.176 1.00 0.00 O ATOM 0 H SER A 17 13.188 0.072 6.131 1.00 0.00 H new ATOM 0 HA SER A 17 15.282 2.010 6.434 1.00 0.00 H new ATOM 0 HB2 SER A 17 15.081 0.270 8.082 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.028 -0.989 6.864 1.00 0.00 H new ATOM 0 HG SER A 17 17.117 -0.814 7.856 1.00 0.00 H new ATOM 322 N ARG A 18 16.993 1.475 4.665 1.00 0.00 N ATOM 323 CA ARG A 18 17.847 1.357 3.490 1.00 0.00 C ATOM 324 C ARG A 18 18.077 -0.107 3.129 1.00 0.00 C ATOM 325 O ARG A 18 18.448 -0.429 2.000 1.00 0.00 O ATOM 326 CB ARG A 18 19.189 2.049 3.737 1.00 0.00 C ATOM 327 CG ARG A 18 19.145 3.554 3.528 1.00 0.00 C ATOM 328 CD ARG A 18 20.537 4.128 3.314 1.00 0.00 C ATOM 329 NE ARG A 18 21.333 4.107 4.538 1.00 0.00 N ATOM 330 CZ ARG A 18 22.643 4.319 4.567 1.00 0.00 C ATOM 331 NH1 ARG A 18 23.304 4.566 3.444 1.00 0.00 N ATOM 332 NH2 ARG A 18 23.298 4.284 5.721 1.00 0.00 N ATOM 0 H ARG A 18 17.342 2.117 5.377 1.00 0.00 H new ATOM 0 HA ARG A 18 17.342 1.844 2.655 1.00 0.00 H new ATOM 0 HB2 ARG A 18 19.513 1.842 4.757 1.00 0.00 H new ATOM 0 HB3 ARG A 18 19.938 1.620 3.071 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.519 3.785 2.666 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.683 4.029 4.394 1.00 0.00 H new ATOM 0 HD2 ARG A 18 21.049 3.557 2.539 1.00 0.00 H new ATOM 0 HD3 ARG A 18 20.455 5.153 2.953 1.00 0.00 H new ATOM 0 HE ARG A 18 20.856 3.919 5.420 1.00 0.00 H new ATOM 0 HH11 ARG A 18 22.806 4.594 2.554 1.00 0.00 H new ATOM 0 HH12 ARG A 18 24.311 4.728 3.470 1.00 0.00 H new ATOM 0 HH21 ARG A 18 22.795 4.094 6.588 1.00 0.00 H new ATOM 0 HH22 ARG A 18 24.305 4.447 5.741 1.00 0.00 H new ATOM 346 N ASP A 19 17.855 -0.991 4.097 1.00 0.00 N ATOM 347 CA ASP A 19 18.038 -2.422 3.881 1.00 0.00 C ATOM 348 C ASP A 19 16.832 -3.022 3.163 1.00 0.00 C ATOM 349 O ASP A 19 16.976 -3.913 2.327 1.00 0.00 O ATOM 350 CB ASP A 19 18.258 -3.136 5.217 1.00 0.00 C ATOM 351 CG ASP A 19 19.556 -2.727 5.884 1.00 0.00 C ATOM 352 OD1 ASP A 19 19.554 -1.712 6.614 1.00 0.00 O ATOM 353 OD2 ASP A 19 20.573 -3.420 5.679 1.00 0.00 O ATOM 0 H ASP A 19 17.549 -0.742 5.037 1.00 0.00 H new ATOM 0 HA ASP A 19 18.918 -2.561 3.253 1.00 0.00 H new ATOM 0 HB2 ASP A 19 17.425 -2.917 5.885 1.00 0.00 H new ATOM 0 HB3 ASP A 19 18.260 -4.214 5.054 1.00 0.00 H new ATOM 358 N VAL A 20 15.644 -2.527 3.497 1.00 0.00 N ATOM 359 CA VAL A 20 14.414 -3.013 2.883 1.00 0.00 C ATOM 360 C VAL A 20 14.526 -3.025 1.363 1.00 0.00 C ATOM 361 O VAL A 20 14.935 -2.037 0.751 1.00 0.00 O ATOM 362 CB VAL A 20 13.205 -2.151 3.292 1.00 0.00 C ATOM 363 CG1 VAL A 20 11.948 -2.623 2.579 1.00 0.00 C ATOM 364 CG2 VAL A 20 13.015 -2.181 4.801 1.00 0.00 C ATOM 0 H VAL A 20 15.508 -1.790 4.189 1.00 0.00 H new ATOM 0 HA VAL A 20 14.262 -4.031 3.240 1.00 0.00 H new ATOM 0 HB VAL A 20 13.398 -1.120 2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.104 -2.002 2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.090 -2.544 1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.748 -3.661 2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.156 -1.567 5.072 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.844 -3.207 5.126 1.00 0.00 H new ATOM 0 HG23 VAL A 20 13.909 -1.791 5.288 1.00 0.00 H new ATOM 374 N THR A 21 14.158 -4.149 0.757 1.00 0.00 N ATOM 375 CA THR A 21 14.217 -4.291 -0.692 1.00 0.00 C ATOM 376 C THR A 21 12.864 -4.705 -1.260 1.00 0.00 C ATOM 377 O THR A 21 11.931 -4.999 -0.512 1.00 0.00 O ATOM 378 CB THR A 21 15.276 -5.328 -1.113 1.00 0.00 C ATOM 379 OG1 THR A 21 15.158 -6.504 -0.304 1.00 0.00 O ATOM 380 CG2 THR A 21 16.678 -4.754 -0.982 1.00 0.00 C ATOM 0 H THR A 21 13.816 -4.975 1.248 1.00 0.00 H new ATOM 0 HA THR A 21 14.494 -3.316 -1.093 1.00 0.00 H new ATOM 0 HB THR A 21 15.104 -5.587 -2.158 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.833 -7.159 -0.579 1.00 0.00 H new ATOM 0 HG21 THR A 21 17.408 -5.504 -1.285 1.00 0.00 H new ATOM 0 HG22 THR A 21 16.773 -3.876 -1.621 1.00 0.00 H new ATOM 0 HG23 THR A 21 16.859 -4.469 0.054 1.00 0.00 H new ATOM 388 N GLU A 22 12.764 -4.724 -2.585 1.00 0.00 N ATOM 389 CA GLU A 22 11.523 -5.102 -3.252 1.00 0.00 C ATOM 390 C GLU A 22 11.153 -6.548 -2.934 1.00 0.00 C ATOM 391 O GLU A 22 9.987 -6.865 -2.701 1.00 0.00 O ATOM 392 CB GLU A 22 11.655 -4.919 -4.766 1.00 0.00 C ATOM 393 CG GLU A 22 10.454 -5.426 -5.546 1.00 0.00 C ATOM 394 CD GLU A 22 10.592 -6.883 -5.946 1.00 0.00 C ATOM 395 OE1 GLU A 22 10.440 -7.756 -5.066 1.00 0.00 O ATOM 396 OE2 GLU A 22 10.850 -7.148 -7.138 1.00 0.00 O ATOM 0 H GLU A 22 13.527 -4.482 -3.218 1.00 0.00 H new ATOM 0 HA GLU A 22 10.730 -4.452 -2.883 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.800 -3.861 -4.985 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.548 -5.441 -5.110 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.555 -5.302 -4.943 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.324 -4.818 -6.441 1.00 0.00 H new ATOM 403 N VAL A 23 12.155 -7.421 -2.926 1.00 0.00 N ATOM 404 CA VAL A 23 11.937 -8.833 -2.637 1.00 0.00 C ATOM 405 C VAL A 23 11.474 -9.034 -1.198 1.00 0.00 C ATOM 406 O VAL A 23 10.587 -9.845 -0.927 1.00 0.00 O ATOM 407 CB VAL A 23 13.215 -9.660 -2.873 1.00 0.00 C ATOM 408 CG1 VAL A 23 13.016 -11.095 -2.409 1.00 0.00 C ATOM 409 CG2 VAL A 23 13.613 -9.616 -4.341 1.00 0.00 C ATOM 0 H VAL A 23 13.126 -7.175 -3.117 1.00 0.00 H new ATOM 0 HA VAL A 23 11.160 -9.178 -3.318 1.00 0.00 H new ATOM 0 HB VAL A 23 14.024 -9.223 -2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.929 -11.664 -2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 23 12.781 -11.104 -1.345 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.195 -11.547 -2.966 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.518 -10.205 -4.491 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.807 -10.028 -4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.799 -8.584 -4.637 1.00 0.00 H new ATOM 419 N LEU A 24 12.080 -8.291 -0.279 1.00 0.00 N ATOM 420 CA LEU A 24 11.729 -8.386 1.134 1.00 0.00 C ATOM 421 C LEU A 24 10.267 -8.017 1.359 1.00 0.00 C ATOM 422 O LEU A 24 9.523 -8.757 2.003 1.00 0.00 O ATOM 423 CB LEU A 24 12.631 -7.471 1.966 1.00 0.00 C ATOM 424 CG LEU A 24 12.618 -7.709 3.477 1.00 0.00 C ATOM 425 CD1 LEU A 24 13.689 -6.871 4.158 1.00 0.00 C ATOM 426 CD2 LEU A 24 11.245 -7.396 4.053 1.00 0.00 C ATOM 0 H LEU A 24 12.816 -7.616 -0.486 1.00 0.00 H new ATOM 0 HA LEU A 24 11.876 -9.419 1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.655 -7.582 1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.339 -6.438 1.779 1.00 0.00 H new ATOM 0 HG LEU A 24 12.837 -8.761 3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.665 -7.053 5.232 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.669 -7.144 3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.502 -5.815 3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.253 -7.571 5.129 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.997 -6.353 3.857 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.499 -8.040 3.587 1.00 0.00 H new ATOM 438 N ILE A 25 9.861 -6.872 0.822 1.00 0.00 N ATOM 439 CA ILE A 25 8.487 -6.408 0.961 1.00 0.00 C ATOM 440 C ILE A 25 7.502 -7.430 0.402 1.00 0.00 C ATOM 441 O ILE A 25 6.510 -7.771 1.047 1.00 0.00 O ATOM 442 CB ILE A 25 8.272 -5.061 0.248 1.00 0.00 C ATOM 443 CG1 ILE A 25 9.073 -3.957 0.941 1.00 0.00 C ATOM 444 CG2 ILE A 25 6.792 -4.709 0.215 1.00 0.00 C ATOM 445 CD1 ILE A 25 8.462 -3.499 2.248 1.00 0.00 C ATOM 0 H ILE A 25 10.465 -6.248 0.286 1.00 0.00 H new ATOM 0 HA ILE A 25 8.305 -6.277 2.028 1.00 0.00 H new ATOM 0 HB ILE A 25 8.627 -5.150 -0.779 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.085 -4.316 1.128 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.157 -3.103 0.269 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.656 -3.754 -0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.245 -5.485 -0.320 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.413 -4.635 1.234 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.082 -2.716 2.685 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.460 -3.110 2.065 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.403 -4.341 2.937 1.00 0.00 H new ATOM 457 N LEU A 26 7.783 -7.916 -0.802 1.00 0.00 N ATOM 458 CA LEU A 26 6.923 -8.901 -1.450 1.00 0.00 C ATOM 459 C LEU A 26 6.854 -10.185 -0.629 1.00 0.00 C ATOM 460 O LEU A 26 5.837 -10.877 -0.630 1.00 0.00 O ATOM 461 CB LEU A 26 7.437 -9.208 -2.858 1.00 0.00 C ATOM 462 CG LEU A 26 7.076 -8.191 -3.941 1.00 0.00 C ATOM 463 CD1 LEU A 26 7.779 -8.530 -5.246 1.00 0.00 C ATOM 464 CD2 LEU A 26 5.570 -8.137 -4.142 1.00 0.00 C ATOM 0 H LEU A 26 8.600 -7.644 -1.350 1.00 0.00 H new ATOM 0 HA LEU A 26 5.919 -8.482 -1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.523 -9.294 -2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.052 -10.182 -3.159 1.00 0.00 H new ATOM 0 HG LEU A 26 7.413 -7.207 -3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.510 -7.796 -6.005 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.858 -8.515 -5.093 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.473 -9.523 -5.577 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.332 -7.408 -4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.208 -9.119 -4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.089 -7.845 -3.209 1.00 0.00 H new ATOM 476 N GLN A 27 7.940 -10.494 0.070 1.00 0.00 N ATOM 477 CA GLN A 27 8.001 -11.694 0.895 1.00 0.00 C ATOM 478 C GLN A 27 7.031 -11.598 2.069 1.00 0.00 C ATOM 479 O GLN A 27 6.247 -12.515 2.316 1.00 0.00 O ATOM 480 CB GLN A 27 9.425 -11.912 1.411 1.00 0.00 C ATOM 481 CG GLN A 27 10.391 -12.401 0.344 1.00 0.00 C ATOM 482 CD GLN A 27 10.429 -13.913 0.239 1.00 0.00 C ATOM 483 OE1 GLN A 27 9.416 -14.553 -0.040 1.00 0.00 O ATOM 484 NE2 GLN A 27 11.603 -14.491 0.465 1.00 0.00 N ATOM 0 H GLN A 27 8.790 -9.930 0.082 1.00 0.00 H new ATOM 0 HA GLN A 27 7.712 -12.544 0.277 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.799 -10.976 1.827 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.400 -12.635 2.226 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.104 -11.981 -0.620 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.391 -12.031 0.568 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.417 -13.920 0.693 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.691 -15.506 0.410 1.00 0.00 H new ATOM 493 N LEU A 28 7.090 -10.482 2.788 1.00 0.00 N ATOM 494 CA LEU A 28 6.217 -10.266 3.936 1.00 0.00 C ATOM 495 C LEU A 28 4.765 -10.110 3.495 1.00 0.00 C ATOM 496 O LEU A 28 3.863 -10.723 4.066 1.00 0.00 O ATOM 497 CB LEU A 28 6.662 -9.026 4.713 1.00 0.00 C ATOM 498 CG LEU A 28 8.160 -8.911 4.996 1.00 0.00 C ATOM 499 CD1 LEU A 28 8.461 -7.642 5.775 1.00 0.00 C ATOM 500 CD2 LEU A 28 8.655 -10.135 5.754 1.00 0.00 C ATOM 0 H LEU A 28 7.733 -9.714 2.596 1.00 0.00 H new ATOM 0 HA LEU A 28 6.288 -11.139 4.585 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.349 -8.142 4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.131 -9.009 5.665 1.00 0.00 H new ATOM 0 HG LEU A 28 8.687 -8.860 4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.532 -7.578 5.967 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.144 -6.775 5.195 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.923 -7.661 6.723 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.723 -10.036 5.947 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.121 -10.217 6.701 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.475 -11.030 5.158 1.00 0.00 H new ATOM 512 N PHE A 29 4.548 -9.289 2.473 1.00 0.00 N ATOM 513 CA PHE A 29 3.206 -9.054 1.954 1.00 0.00 C ATOM 514 C PHE A 29 2.641 -10.318 1.314 1.00 0.00 C ATOM 515 O PHE A 29 1.439 -10.573 1.373 1.00 0.00 O ATOM 516 CB PHE A 29 3.224 -7.915 0.931 1.00 0.00 C ATOM 517 CG PHE A 29 3.130 -6.551 1.552 1.00 0.00 C ATOM 518 CD1 PHE A 29 4.218 -5.997 2.207 1.00 0.00 C ATOM 519 CD2 PHE A 29 1.953 -5.822 1.481 1.00 0.00 C ATOM 520 CE1 PHE A 29 4.134 -4.741 2.779 1.00 0.00 C ATOM 521 CE2 PHE A 29 1.864 -4.566 2.050 1.00 0.00 C ATOM 522 CZ PHE A 29 2.956 -4.025 2.701 1.00 0.00 C ATOM 0 H PHE A 29 5.284 -8.776 1.988 1.00 0.00 H new ATOM 0 HA PHE A 29 2.565 -8.773 2.789 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.142 -7.977 0.346 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.394 -8.048 0.237 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.142 -6.552 2.271 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.096 -6.241 0.975 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.989 -4.320 3.287 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.942 -4.008 1.986 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.888 -3.044 3.148 1.00 0.00 H new ATOM 532 N SER A 30 3.519 -11.107 0.701 1.00 0.00 N ATOM 533 CA SER A 30 3.108 -12.343 0.045 1.00 0.00 C ATOM 534 C SER A 30 2.475 -13.305 1.047 1.00 0.00 C ATOM 535 O SER A 30 1.513 -14.003 0.729 1.00 0.00 O ATOM 536 CB SER A 30 4.308 -13.009 -0.631 1.00 0.00 C ATOM 537 OG SER A 30 4.077 -14.392 -0.833 1.00 0.00 O ATOM 0 H SER A 30 4.519 -10.912 0.645 1.00 0.00 H new ATOM 0 HA SER A 30 2.365 -12.094 -0.713 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.504 -12.526 -1.588 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.198 -12.872 -0.017 1.00 0.00 H new ATOM 0 HG SER A 30 4.858 -14.794 -1.268 1.00 0.00 H new ATOM 543 N GLN A 31 3.024 -13.335 2.257 1.00 0.00 N ATOM 544 CA GLN A 31 2.515 -14.211 3.305 1.00 0.00 C ATOM 545 C GLN A 31 1.034 -13.954 3.557 1.00 0.00 C ATOM 546 O GLN A 31 0.278 -14.873 3.872 1.00 0.00 O ATOM 547 CB GLN A 31 3.308 -14.009 4.597 1.00 0.00 C ATOM 548 CG GLN A 31 4.775 -14.387 4.476 1.00 0.00 C ATOM 549 CD GLN A 31 5.361 -14.878 5.785 1.00 0.00 C ATOM 550 OE1 GLN A 31 5.155 -16.026 6.180 1.00 0.00 O ATOM 551 NE2 GLN A 31 6.097 -14.008 6.467 1.00 0.00 N ATOM 0 H GLN A 31 3.821 -12.763 2.536 1.00 0.00 H new ATOM 0 HA GLN A 31 2.634 -15.242 2.972 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.234 -12.964 4.899 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.853 -14.603 5.390 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.885 -15.164 3.719 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.342 -13.522 4.130 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.242 -13.066 6.103 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.517 -14.281 7.355 1.00 0.00 H new ATOM 560 N ILE A 32 0.624 -12.697 3.418 1.00 0.00 N ATOM 561 CA ILE A 32 -0.767 -12.318 3.631 1.00 0.00 C ATOM 562 C ILE A 32 -1.619 -12.647 2.409 1.00 0.00 C ATOM 563 O ILE A 32 -2.655 -13.301 2.519 1.00 0.00 O ATOM 564 CB ILE A 32 -0.901 -10.817 3.947 1.00 0.00 C ATOM 565 CG1 ILE A 32 -0.097 -10.463 5.199 1.00 0.00 C ATOM 566 CG2 ILE A 32 -2.364 -10.442 4.126 1.00 0.00 C ATOM 567 CD1 ILE A 32 0.220 -8.989 5.318 1.00 0.00 C ATOM 0 H ILE A 32 1.236 -11.924 3.159 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.123 -12.893 4.486 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.500 -10.247 3.109 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.655 -10.778 6.080 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.835 -11.027 5.194 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.442 -9.378 4.349 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.911 -10.662 3.209 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.789 -11.017 4.949 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.792 -8.812 6.229 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.806 -8.672 4.455 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.708 -8.419 5.356 1.00 0.00 H new ATOM 579 N GLY A 33 -1.172 -12.191 1.243 1.00 0.00 N ATOM 580 CA GLY A 33 -1.905 -12.447 0.016 1.00 0.00 C ATOM 581 C GLY A 33 -1.021 -12.373 -1.213 1.00 0.00 C ATOM 582 O GLY A 33 0.159 -12.033 -1.136 1.00 0.00 O ATOM 0 H GLY A 33 -0.316 -11.649 1.126 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.365 -13.434 0.070 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.714 -11.723 -0.078 1.00 0.00 H new ATOM 586 N PRO A 34 -1.596 -12.698 -2.380 1.00 0.00 N ATOM 587 CA PRO A 34 -0.870 -12.675 -3.654 1.00 0.00 C ATOM 588 C PRO A 34 -0.531 -11.258 -4.103 1.00 0.00 C ATOM 589 O PRO A 34 -1.411 -10.400 -4.199 1.00 0.00 O ATOM 590 CB PRO A 34 -1.850 -13.326 -4.632 1.00 0.00 C ATOM 591 CG PRO A 34 -3.195 -13.087 -4.038 1.00 0.00 C ATOM 592 CD PRO A 34 -2.999 -13.112 -2.547 1.00 0.00 C ATOM 0 HA PRO A 34 0.089 -13.188 -3.586 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.771 -12.883 -5.625 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.650 -14.392 -4.742 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.600 -12.129 -4.362 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.902 -13.855 -4.352 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.682 -12.430 -2.041 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -3.177 -14.105 -2.135 1.00 0.00 H new ATOM 600 N CYS A 35 0.746 -11.017 -4.378 1.00 0.00 N ATOM 601 CA CYS A 35 1.200 -9.703 -4.817 1.00 0.00 C ATOM 602 C CYS A 35 1.427 -9.682 -6.325 1.00 0.00 C ATOM 603 O CYS A 35 2.232 -10.448 -6.854 1.00 0.00 O ATOM 604 CB CYS A 35 2.488 -9.317 -4.089 1.00 0.00 C ATOM 605 SG CYS A 35 2.357 -9.349 -2.287 1.00 0.00 S ATOM 0 H CYS A 35 1.486 -11.715 -4.305 1.00 0.00 H new ATOM 0 HA CYS A 35 0.423 -8.977 -4.575 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.284 -9.996 -4.397 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.784 -8.316 -4.403 1.00 0.00 H new ATOM 0 HG CYS A 35 1.133 -9.086 -1.936 1.00 0.00 H new ATOM 611 N LYS A 36 0.710 -8.800 -7.013 1.00 0.00 N ATOM 612 CA LYS A 36 0.832 -8.678 -8.461 1.00 0.00 C ATOM 613 C LYS A 36 2.210 -8.153 -8.849 1.00 0.00 C ATOM 614 O LYS A 36 2.890 -8.733 -9.695 1.00 0.00 O ATOM 615 CB LYS A 36 -0.253 -7.747 -9.008 1.00 0.00 C ATOM 616 CG LYS A 36 -0.687 -8.085 -10.423 1.00 0.00 C ATOM 617 CD LYS A 36 -1.817 -9.102 -10.433 1.00 0.00 C ATOM 618 CE LYS A 36 -2.615 -9.037 -11.726 1.00 0.00 C ATOM 619 NZ LYS A 36 -3.745 -8.071 -11.632 1.00 0.00 N ATOM 0 H LYS A 36 0.038 -8.159 -6.591 1.00 0.00 H new ATOM 0 HA LYS A 36 0.705 -9.669 -8.896 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.121 -7.789 -8.351 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.115 -6.721 -8.985 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.009 -7.177 -10.932 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.163 -8.479 -10.981 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.407 -10.104 -10.307 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.479 -8.920 -9.586 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.957 -8.747 -12.545 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.003 -10.028 -11.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.264 -8.056 -12.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.387 -8.361 -10.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.374 -7.121 -11.430 1.00 0.00 H new ATOM 633 N SER A 37 2.615 -7.052 -8.225 1.00 0.00 N ATOM 634 CA SER A 37 3.913 -6.447 -8.506 1.00 0.00 C ATOM 635 C SER A 37 4.269 -5.409 -7.447 1.00 0.00 C ATOM 636 O SER A 37 3.396 -4.724 -6.916 1.00 0.00 O ATOM 637 CB SER A 37 3.906 -5.799 -9.892 1.00 0.00 C ATOM 638 OG SER A 37 5.225 -5.610 -10.373 1.00 0.00 O ATOM 0 H SER A 37 2.064 -6.560 -7.522 1.00 0.00 H new ATOM 0 HA SER A 37 4.667 -7.234 -8.484 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.348 -6.426 -10.587 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.391 -4.839 -9.846 1.00 0.00 H new ATOM 0 HG SER A 37 5.193 -5.196 -11.261 1.00 0.00 H new ATOM 644 N CYS A 38 5.559 -5.300 -7.147 1.00 0.00 N ATOM 645 CA CYS A 38 6.034 -4.345 -6.151 1.00 0.00 C ATOM 646 C CYS A 38 7.169 -3.494 -6.710 1.00 0.00 C ATOM 647 O CYS A 38 8.129 -4.016 -7.278 1.00 0.00 O ATOM 648 CB CYS A 38 6.502 -5.080 -4.894 1.00 0.00 C ATOM 649 SG CYS A 38 7.204 -3.999 -3.626 1.00 0.00 S ATOM 0 H CYS A 38 6.294 -5.860 -7.579 1.00 0.00 H new ATOM 0 HA CYS A 38 5.206 -3.686 -5.891 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.658 -5.622 -4.468 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.248 -5.823 -5.177 1.00 0.00 H new ATOM 0 HG CYS A 38 6.548 -2.877 -3.601 1.00 0.00 H new ATOM 655 N LYS A 39 7.051 -2.181 -6.548 1.00 0.00 N ATOM 656 CA LYS A 39 8.068 -1.256 -7.036 1.00 0.00 C ATOM 657 C LYS A 39 8.654 -0.437 -5.890 1.00 0.00 C ATOM 658 O LYS A 39 7.921 0.175 -5.114 1.00 0.00 O ATOM 659 CB LYS A 39 7.471 -0.322 -8.091 1.00 0.00 C ATOM 660 CG LYS A 39 8.491 0.207 -9.084 1.00 0.00 C ATOM 661 CD LYS A 39 9.556 1.045 -8.395 1.00 0.00 C ATOM 662 CE LYS A 39 10.335 1.887 -9.394 1.00 0.00 C ATOM 663 NZ LYS A 39 9.459 2.868 -10.094 1.00 0.00 N ATOM 0 H LYS A 39 6.262 -1.733 -6.083 1.00 0.00 H new ATOM 0 HA LYS A 39 8.869 -1.841 -7.488 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.690 -0.854 -8.634 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.994 0.520 -7.590 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.962 -0.628 -9.603 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.986 0.808 -9.840 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.087 1.695 -7.657 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.242 0.392 -7.855 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.134 2.418 -8.877 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.809 1.235 -10.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.361 2.595 -11.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.521 2.878 -9.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.882 3.816 -10.034 1.00 0.00 H new ATOM 677 N MET A 40 9.979 -0.430 -5.792 1.00 0.00 N ATOM 678 CA MET A 40 10.663 0.316 -4.743 1.00 0.00 C ATOM 679 C MET A 40 11.312 1.576 -5.306 1.00 0.00 C ATOM 680 O MET A 40 12.206 1.500 -6.149 1.00 0.00 O ATOM 681 CB MET A 40 11.722 -0.561 -4.071 1.00 0.00 C ATOM 682 CG MET A 40 12.706 0.222 -3.217 1.00 0.00 C ATOM 683 SD MET A 40 13.611 -0.827 -2.063 1.00 0.00 S ATOM 684 CE MET A 40 12.433 -0.947 -0.719 1.00 0.00 C ATOM 0 H MET A 40 10.600 -0.932 -6.426 1.00 0.00 H new ATOM 0 HA MET A 40 9.922 0.612 -4.000 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.225 -1.305 -3.448 1.00 0.00 H new ATOM 0 HB3 MET A 40 12.272 -1.105 -4.839 1.00 0.00 H new ATOM 0 HG2 MET A 40 13.414 0.737 -3.866 1.00 0.00 H new ATOM 0 HG3 MET A 40 12.168 0.989 -2.660 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.917 -0.663 0.215 1.00 0.00 H new ATOM 0 HE2 MET A 40 11.593 -0.279 -0.910 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.071 -1.972 -0.643 1.00 0.00 H new ATOM 694 N ILE A 41 10.858 2.732 -4.835 1.00 0.00 N ATOM 695 CA ILE A 41 11.395 4.008 -5.292 1.00 0.00 C ATOM 696 C ILE A 41 12.085 4.752 -4.155 1.00 0.00 C ATOM 697 O ILE A 41 11.451 5.128 -3.167 1.00 0.00 O ATOM 698 CB ILE A 41 10.291 4.904 -5.883 1.00 0.00 C ATOM 699 CG1 ILE A 41 9.349 4.079 -6.762 1.00 0.00 C ATOM 700 CG2 ILE A 41 10.907 6.044 -6.682 1.00 0.00 C ATOM 701 CD1 ILE A 41 8.360 4.917 -7.541 1.00 0.00 C ATOM 0 H ILE A 41 10.119 2.812 -4.137 1.00 0.00 H new ATOM 0 HA ILE A 41 12.124 3.783 -6.071 1.00 0.00 H new ATOM 0 HB ILE A 41 9.712 5.330 -5.064 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.941 3.488 -7.460 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.802 3.376 -6.134 1.00 0.00 H new ATOM 0 HG21 ILE A 41 10.115 6.669 -7.094 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.541 6.644 -6.030 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.507 5.636 -7.495 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.725 4.266 -8.142 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.742 5.488 -6.848 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.899 5.602 -8.195 1.00 0.00 H new ATOM 810 N PRO A 49 12.788 6.021 1.994 1.00 0.00 N ATOM 811 CA PRO A 49 12.280 5.510 0.717 1.00 0.00 C ATOM 812 C PRO A 49 10.858 4.972 0.830 1.00 0.00 C ATOM 813 O PRO A 49 10.291 4.917 1.922 1.00 0.00 O ATOM 814 CB PRO A 49 13.254 4.378 0.376 1.00 0.00 C ATOM 815 CG PRO A 49 13.795 3.935 1.691 1.00 0.00 C ATOM 816 CD PRO A 49 13.849 5.166 2.552 1.00 0.00 C ATOM 0 HA PRO A 49 12.228 6.291 -0.042 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.748 3.562 -0.139 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.050 4.725 -0.283 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.157 3.173 2.139 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.786 3.495 1.577 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.666 4.931 3.600 1.00 0.00 H new ATOM 0 HD3 PRO A 49 14.824 5.650 2.500 1.00 0.00 H new ATOM 824 N TYR A 50 10.288 4.577 -0.301 1.00 0.00 N ATOM 825 CA TYR A 50 8.930 4.046 -0.328 1.00 0.00 C ATOM 826 C TYR A 50 8.736 3.106 -1.515 1.00 0.00 C ATOM 827 O TYR A 50 9.408 3.235 -2.539 1.00 0.00 O ATOM 828 CB TYR A 50 7.914 5.187 -0.396 1.00 0.00 C ATOM 829 CG TYR A 50 7.938 5.943 -1.706 1.00 0.00 C ATOM 830 CD1 TYR A 50 7.159 5.534 -2.781 1.00 0.00 C ATOM 831 CD2 TYR A 50 8.741 7.065 -1.868 1.00 0.00 C ATOM 832 CE1 TYR A 50 7.179 6.221 -3.979 1.00 0.00 C ATOM 833 CE2 TYR A 50 8.765 7.760 -3.062 1.00 0.00 C ATOM 834 CZ TYR A 50 7.984 7.333 -4.115 1.00 0.00 C ATOM 835 OH TYR A 50 8.005 8.020 -5.307 1.00 0.00 O ATOM 0 H TYR A 50 10.745 4.614 -1.212 1.00 0.00 H new ATOM 0 HA TYR A 50 8.770 3.481 0.590 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.914 4.782 -0.238 1.00 0.00 H new ATOM 0 HB3 TYR A 50 8.108 5.884 0.419 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.527 4.664 -2.678 1.00 0.00 H new ATOM 0 HD2 TYR A 50 9.357 7.400 -1.047 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.568 5.889 -4.805 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.392 8.633 -3.170 1.00 0.00 H new ATOM 0 HH TYR A 50 8.622 8.778 -5.237 1.00 0.00 H new ATOM 845 N CYS A 51 7.812 2.163 -1.369 1.00 0.00 N ATOM 846 CA CYS A 51 7.527 1.201 -2.428 1.00 0.00 C ATOM 847 C CYS A 51 6.026 0.974 -2.567 1.00 0.00 C ATOM 848 O CYS A 51 5.267 1.168 -1.618 1.00 0.00 O ATOM 849 CB CYS A 51 8.232 -0.125 -2.142 1.00 0.00 C ATOM 850 SG CYS A 51 7.416 -1.139 -0.887 1.00 0.00 S ATOM 0 H CYS A 51 7.247 2.044 -0.528 1.00 0.00 H new ATOM 0 HA CYS A 51 7.902 1.609 -3.367 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.299 -0.696 -3.068 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.253 0.081 -1.820 1.00 0.00 H new ATOM 0 HG CYS A 51 6.551 -1.924 -1.458 1.00 0.00 H new ATOM 856 N PHE A 52 5.603 0.563 -3.759 1.00 0.00 N ATOM 857 CA PHE A 52 4.191 0.313 -4.024 1.00 0.00 C ATOM 858 C PHE A 52 3.905 -1.186 -4.074 1.00 0.00 C ATOM 859 O PHE A 52 4.677 -1.958 -4.642 1.00 0.00 O ATOM 860 CB PHE A 52 3.774 0.967 -5.342 1.00 0.00 C ATOM 861 CG PHE A 52 3.923 2.461 -5.344 1.00 0.00 C ATOM 862 CD1 PHE A 52 3.155 3.248 -4.500 1.00 0.00 C ATOM 863 CD2 PHE A 52 4.832 3.079 -6.187 1.00 0.00 C ATOM 864 CE1 PHE A 52 3.289 4.623 -4.500 1.00 0.00 C ATOM 865 CE2 PHE A 52 4.973 4.454 -6.190 1.00 0.00 C ATOM 866 CZ PHE A 52 4.200 5.228 -5.345 1.00 0.00 C ATOM 0 H PHE A 52 6.218 0.396 -4.556 1.00 0.00 H new ATOM 0 HA PHE A 52 3.611 0.750 -3.211 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.373 0.549 -6.151 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.735 0.713 -5.551 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.444 2.781 -3.835 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.438 2.479 -6.850 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.682 5.225 -3.840 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.686 4.923 -6.852 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.308 6.303 -5.345 1.00 0.00 H new ATOM 876 N VAL A 53 2.790 -1.589 -3.474 1.00 0.00 N ATOM 877 CA VAL A 53 2.401 -2.995 -3.449 1.00 0.00 C ATOM 878 C VAL A 53 1.010 -3.189 -4.041 1.00 0.00 C ATOM 879 O VAL A 53 0.019 -2.706 -3.494 1.00 0.00 O ATOM 880 CB VAL A 53 2.421 -3.558 -2.016 1.00 0.00 C ATOM 881 CG1 VAL A 53 1.946 -5.003 -2.003 1.00 0.00 C ATOM 882 CG2 VAL A 53 3.814 -3.440 -1.417 1.00 0.00 C ATOM 0 H VAL A 53 2.140 -0.963 -2.999 1.00 0.00 H new ATOM 0 HA VAL A 53 3.129 -3.536 -4.053 1.00 0.00 H new ATOM 0 HB VAL A 53 1.737 -2.971 -1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.967 -5.384 -0.982 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.928 -5.055 -2.389 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.602 -5.607 -2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.810 -3.843 -0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.521 -4.001 -2.028 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.111 -2.391 -1.389 1.00 0.00 H new ATOM 892 N GLU A 54 0.943 -3.901 -5.162 1.00 0.00 N ATOM 893 CA GLU A 54 -0.328 -4.160 -5.828 1.00 0.00 C ATOM 894 C GLU A 54 -0.769 -5.606 -5.617 1.00 0.00 C ATOM 895 O GLU A 54 0.002 -6.539 -5.839 1.00 0.00 O ATOM 896 CB GLU A 54 -0.215 -3.863 -7.325 1.00 0.00 C ATOM 897 CG GLU A 54 -1.534 -3.976 -8.069 1.00 0.00 C ATOM 898 CD GLU A 54 -1.347 -4.149 -9.564 1.00 0.00 C ATOM 899 OE1 GLU A 54 -0.258 -4.598 -9.977 1.00 0.00 O ATOM 900 OE2 GLU A 54 -2.290 -3.836 -10.321 1.00 0.00 O ATOM 0 H GLU A 54 1.754 -4.308 -5.628 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.079 -3.502 -5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.183 -2.857 -7.458 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.504 -4.551 -7.770 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.097 -4.823 -7.677 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.130 -3.083 -7.882 1.00 0.00 H new ATOM 907 N PHE A 55 -2.014 -5.781 -5.187 1.00 0.00 N ATOM 908 CA PHE A 55 -2.558 -7.113 -4.944 1.00 0.00 C ATOM 909 C PHE A 55 -3.541 -7.507 -6.042 1.00 0.00 C ATOM 910 O PHE A 55 -4.012 -6.660 -6.803 1.00 0.00 O ATOM 911 CB PHE A 55 -3.251 -7.162 -3.581 1.00 0.00 C ATOM 912 CG PHE A 55 -2.304 -7.378 -2.435 1.00 0.00 C ATOM 913 CD1 PHE A 55 -1.672 -6.303 -1.830 1.00 0.00 C ATOM 914 CD2 PHE A 55 -2.047 -8.654 -1.962 1.00 0.00 C ATOM 915 CE1 PHE A 55 -0.800 -6.499 -0.777 1.00 0.00 C ATOM 916 CE2 PHE A 55 -1.176 -8.856 -0.908 1.00 0.00 C ATOM 917 CZ PHE A 55 -0.553 -7.776 -0.314 1.00 0.00 C ATOM 0 H PHE A 55 -2.665 -5.018 -5.000 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.731 -7.823 -4.949 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.792 -6.229 -3.424 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.991 -7.963 -3.587 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.863 -5.301 -2.186 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.533 -9.502 -2.422 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.311 -5.653 -0.316 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.983 -9.856 -0.550 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.126 -7.930 0.511 1.00 0.00 H new ATOM 927 N TYR A 56 -3.847 -8.796 -6.119 1.00 0.00 N ATOM 928 CA TYR A 56 -4.771 -9.304 -7.126 1.00 0.00 C ATOM 929 C TYR A 56 -6.193 -8.826 -6.850 1.00 0.00 C ATOM 930 O TYR A 56 -6.900 -8.389 -7.759 1.00 0.00 O ATOM 931 CB TYR A 56 -4.734 -10.833 -7.158 1.00 0.00 C ATOM 932 CG TYR A 56 -3.566 -11.394 -7.937 1.00 0.00 C ATOM 933 CD1 TYR A 56 -2.285 -11.403 -7.399 1.00 0.00 C ATOM 934 CD2 TYR A 56 -3.744 -11.918 -9.212 1.00 0.00 C ATOM 935 CE1 TYR A 56 -1.216 -11.914 -8.108 1.00 0.00 C ATOM 936 CE2 TYR A 56 -2.680 -12.432 -9.928 1.00 0.00 C ATOM 937 CZ TYR A 56 -1.419 -12.427 -9.372 1.00 0.00 C ATOM 938 OH TYR A 56 -0.356 -12.938 -10.082 1.00 0.00 O ATOM 0 H TYR A 56 -3.469 -9.509 -5.496 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.458 -8.919 -8.096 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.692 -11.209 -6.136 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.662 -11.202 -7.595 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.123 -11.003 -6.409 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.731 -11.923 -9.651 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.227 -11.912 -7.675 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.836 -12.835 -10.918 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.669 -13.260 -10.953 1.00 0.00 H new ATOM 948 N GLU A 57 -6.605 -8.909 -5.589 1.00 0.00 N ATOM 949 CA GLU A 57 -7.943 -8.484 -5.193 1.00 0.00 C ATOM 950 C GLU A 57 -7.875 -7.428 -4.092 1.00 0.00 C ATOM 951 O GLU A 57 -6.816 -7.189 -3.511 1.00 0.00 O ATOM 952 CB GLU A 57 -8.762 -9.684 -4.713 1.00 0.00 C ATOM 953 CG GLU A 57 -8.679 -10.886 -5.639 1.00 0.00 C ATOM 954 CD GLU A 57 -9.938 -11.730 -5.614 1.00 0.00 C ATOM 955 OE1 GLU A 57 -10.504 -11.920 -4.516 1.00 0.00 O ATOM 956 OE2 GLU A 57 -10.357 -12.202 -6.691 1.00 0.00 O ATOM 0 H GLU A 57 -6.032 -9.266 -4.824 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.430 -8.046 -6.064 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.417 -9.975 -3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.805 -9.385 -4.612 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.496 -10.543 -6.657 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.827 -11.503 -5.352 1.00 0.00 H new ATOM 963 N HIS A 58 -9.013 -6.799 -3.813 1.00 0.00 N ATOM 964 CA HIS A 58 -9.083 -5.770 -2.783 1.00 0.00 C ATOM 965 C HIS A 58 -9.023 -6.389 -1.390 1.00 0.00 C ATOM 966 O HIS A 58 -8.505 -5.783 -0.452 1.00 0.00 O ATOM 967 CB HIS A 58 -10.366 -4.953 -2.936 1.00 0.00 C ATOM 968 CG HIS A 58 -10.574 -3.953 -1.840 1.00 0.00 C ATOM 969 ND1 HIS A 58 -9.962 -2.716 -1.823 1.00 0.00 N ATOM 970 CD2 HIS A 58 -11.332 -4.011 -0.721 1.00 0.00 C ATOM 971 CE1 HIS A 58 -10.334 -2.059 -0.740 1.00 0.00 C ATOM 972 NE2 HIS A 58 -11.165 -2.822 -0.054 1.00 0.00 N ATOM 0 H HIS A 58 -9.898 -6.984 -4.286 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.224 -5.110 -2.905 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.343 -4.431 -3.893 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -11.218 -5.632 -2.964 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -9.322 -2.364 -2.536 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -11.953 -4.838 -0.410 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -10.013 -1.066 -0.462 1.00 0.00 H new ATOM 980 N ARG A 59 -9.557 -7.599 -1.263 1.00 0.00 N ATOM 981 CA ARG A 59 -9.566 -8.300 0.016 1.00 0.00 C ATOM 982 C ARG A 59 -8.146 -8.509 0.532 1.00 0.00 C ATOM 983 O ARG A 59 -7.883 -8.379 1.728 1.00 0.00 O ATOM 984 CB ARG A 59 -10.275 -9.649 -0.123 1.00 0.00 C ATOM 985 CG ARG A 59 -9.575 -10.609 -1.072 1.00 0.00 C ATOM 986 CD ARG A 59 -10.345 -11.913 -1.212 1.00 0.00 C ATOM 987 NE ARG A 59 -10.035 -12.850 -0.136 1.00 0.00 N ATOM 988 CZ ARG A 59 -10.593 -14.051 -0.024 1.00 0.00 C ATOM 989 NH1 ARG A 59 -11.484 -14.458 -0.917 1.00 0.00 N ATOM 990 NH2 ARG A 59 -10.259 -14.847 0.984 1.00 0.00 N ATOM 0 H ARG A 59 -9.989 -8.115 -2.030 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.107 -7.685 0.735 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.350 -10.113 0.860 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.293 -9.481 -0.475 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.468 -10.141 -2.051 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.570 -10.816 -0.706 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -11.415 -11.704 -1.213 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.109 -12.372 -2.172 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.353 -12.567 0.568 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.743 -13.849 -1.693 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.910 -15.380 -0.828 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.574 -14.537 1.673 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.688 -15.769 1.070 1.00 0.00 H new ATOM 1004 N ASP A 60 -7.234 -8.836 -0.378 1.00 0.00 N ATOM 1005 CA ASP A 60 -5.840 -9.063 -0.016 1.00 0.00 C ATOM 1006 C ASP A 60 -5.147 -7.748 0.328 1.00 0.00 C ATOM 1007 O ASP A 60 -4.443 -7.650 1.332 1.00 0.00 O ATOM 1008 CB ASP A 60 -5.102 -9.761 -1.158 1.00 0.00 C ATOM 1009 CG ASP A 60 -5.880 -10.934 -1.720 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -6.170 -11.874 -0.952 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -6.197 -10.912 -2.928 1.00 0.00 O ATOM 0 H ASP A 60 -7.436 -8.950 -1.371 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.818 -9.705 0.865 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.909 -9.042 -1.954 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.133 -10.109 -0.801 1.00 0.00 H new ATOM 1016 N ALA A 61 -5.349 -6.740 -0.515 1.00 0.00 N ATOM 1017 CA ALA A 61 -4.744 -5.432 -0.301 1.00 0.00 C ATOM 1018 C ALA A 61 -5.139 -4.860 1.056 1.00 0.00 C ATOM 1019 O ALA A 61 -4.303 -4.326 1.782 1.00 0.00 O ATOM 1020 CB ALA A 61 -5.145 -4.477 -1.416 1.00 0.00 C ATOM 0 H ALA A 61 -5.927 -6.805 -1.353 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.661 -5.553 -0.313 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.686 -3.503 -1.244 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.807 -4.873 -2.374 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.230 -4.369 -1.430 1.00 0.00 H new ATOM 1026 N ALA A 62 -6.420 -4.976 1.392 1.00 0.00 N ATOM 1027 CA ALA A 62 -6.925 -4.472 2.662 1.00 0.00 C ATOM 1028 C ALA A 62 -6.362 -5.270 3.833 1.00 0.00 C ATOM 1029 O ALA A 62 -5.985 -4.704 4.858 1.00 0.00 O ATOM 1030 CB ALA A 62 -8.446 -4.510 2.679 1.00 0.00 C ATOM 0 H ALA A 62 -7.126 -5.415 0.802 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.597 -3.438 2.769 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.809 -4.130 3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.834 -3.890 1.871 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.786 -5.537 2.544 1.00 0.00 H new ATOM 1036 N ALA A 63 -6.309 -6.589 3.673 1.00 0.00 N ATOM 1037 CA ALA A 63 -5.791 -7.465 4.717 1.00 0.00 C ATOM 1038 C ALA A 63 -4.311 -7.198 4.971 1.00 0.00 C ATOM 1039 O ALA A 63 -3.883 -7.071 6.118 1.00 0.00 O ATOM 1040 CB ALA A 63 -6.009 -8.923 4.338 1.00 0.00 C ATOM 0 H ALA A 63 -6.618 -7.074 2.831 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.335 -7.255 5.638 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.618 -9.566 5.126 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.075 -9.111 4.212 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.490 -9.138 3.404 1.00 0.00 H new ATOM 1046 N ALA A 64 -3.535 -7.117 3.896 1.00 0.00 N ATOM 1047 CA ALA A 64 -2.103 -6.864 4.005 1.00 0.00 C ATOM 1048 C ALA A 64 -1.829 -5.423 4.418 1.00 0.00 C ATOM 1049 O ALA A 64 -0.871 -5.145 5.140 1.00 0.00 O ATOM 1050 CB ALA A 64 -1.411 -7.177 2.685 1.00 0.00 C ATOM 0 H ALA A 64 -3.873 -7.223 2.940 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.702 -7.518 4.779 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.342 -6.984 2.780 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.569 -8.225 2.431 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.825 -6.546 1.898 1.00 0.00 H new ATOM 1056 N LEU A 65 -2.677 -4.509 3.958 1.00 0.00 N ATOM 1057 CA LEU A 65 -2.525 -3.094 4.280 1.00 0.00 C ATOM 1058 C LEU A 65 -2.600 -2.868 5.786 1.00 0.00 C ATOM 1059 O LEU A 65 -1.731 -2.222 6.371 1.00 0.00 O ATOM 1060 CB LEU A 65 -3.607 -2.273 3.575 1.00 0.00 C ATOM 1061 CG LEU A 65 -3.871 -0.880 4.148 1.00 0.00 C ATOM 1062 CD1 LEU A 65 -2.816 0.104 3.670 1.00 0.00 C ATOM 1063 CD2 LEU A 65 -5.263 -0.400 3.764 1.00 0.00 C ATOM 0 H LEU A 65 -3.476 -4.722 3.361 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.545 -2.769 3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.329 -2.166 2.527 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.539 -2.838 3.602 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.816 -0.940 5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.021 1.089 4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.831 -0.231 3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.838 0.160 2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.433 0.593 4.180 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.346 -0.357 2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.008 -1.091 4.158 1.00 0.00 H new ATOM 1075 N ALA A 66 -3.644 -3.406 6.409 1.00 0.00 N ATOM 1076 CA ALA A 66 -3.829 -3.267 7.848 1.00 0.00 C ATOM 1077 C ALA A 66 -2.760 -4.037 8.617 1.00 0.00 C ATOM 1078 O ALA A 66 -2.237 -3.554 9.621 1.00 0.00 O ATOM 1079 CB ALA A 66 -5.217 -3.744 8.250 1.00 0.00 C ATOM 0 H ALA A 66 -4.374 -3.942 5.940 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.731 -2.211 8.101 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.341 -3.635 9.327 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.970 -3.147 7.735 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.335 -4.792 7.976 1.00 0.00 H new ATOM 1085 N ALA A 67 -2.442 -5.235 8.139 1.00 0.00 N ATOM 1086 CA ALA A 67 -1.434 -6.070 8.781 1.00 0.00 C ATOM 1087 C ALA A 67 -0.043 -5.459 8.640 1.00 0.00 C ATOM 1088 O ALA A 67 0.805 -5.618 9.516 1.00 0.00 O ATOM 1089 CB ALA A 67 -1.459 -7.473 8.192 1.00 0.00 C ATOM 0 H ALA A 67 -2.867 -5.649 7.310 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.669 -6.129 9.844 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.701 -8.086 8.680 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.442 -7.917 8.350 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.251 -7.423 7.123 1.00 0.00 H new ATOM 1095 N MET A 68 0.181 -4.761 7.531 1.00 0.00 N ATOM 1096 CA MET A 68 1.469 -4.126 7.277 1.00 0.00 C ATOM 1097 C MET A 68 1.441 -2.657 7.683 1.00 0.00 C ATOM 1098 O MET A 68 2.485 -2.023 7.829 1.00 0.00 O ATOM 1099 CB MET A 68 1.840 -4.252 5.797 1.00 0.00 C ATOM 1100 CG MET A 68 2.001 -5.689 5.331 1.00 0.00 C ATOM 1101 SD MET A 68 3.211 -6.603 6.305 1.00 0.00 S ATOM 1102 CE MET A 68 4.679 -5.611 6.041 1.00 0.00 C ATOM 0 H MET A 68 -0.511 -4.621 6.795 1.00 0.00 H new ATOM 0 HA MET A 68 2.222 -4.635 7.878 1.00 0.00 H new ATOM 0 HB2 MET A 68 1.071 -3.768 5.196 1.00 0.00 H new ATOM 0 HB3 MET A 68 2.771 -3.714 5.617 1.00 0.00 H new ATOM 0 HG2 MET A 68 1.037 -6.195 5.388 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.303 -5.696 4.284 1.00 0.00 H new ATOM 0 HE1 MET A 68 5.457 -6.225 5.587 1.00 0.00 H new ATOM 0 HE2 MET A 68 4.441 -4.779 5.378 1.00 0.00 H new ATOM 0 HE3 MET A 68 5.033 -5.224 6.996 1.00 0.00 H new ATOM 1112 N ASN A 69 0.238 -2.121 7.867 1.00 0.00 N ATOM 1113 CA ASN A 69 0.074 -0.725 8.256 1.00 0.00 C ATOM 1114 C ASN A 69 0.792 -0.440 9.572 1.00 0.00 C ATOM 1115 O ASN A 69 0.279 -0.741 10.649 1.00 0.00 O ATOM 1116 CB ASN A 69 -1.411 -0.381 8.387 1.00 0.00 C ATOM 1117 CG ASN A 69 -1.648 0.828 9.270 1.00 0.00 C ATOM 1118 OD1 ASN A 69 -1.788 0.704 10.487 1.00 0.00 O ATOM 1119 ND2 ASN A 69 -1.696 2.007 8.659 1.00 0.00 N ATOM 0 H ASN A 69 -0.637 -2.632 7.753 1.00 0.00 H new ATOM 0 HA ASN A 69 0.516 -0.102 7.478 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.826 -0.192 7.397 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.945 -1.238 8.798 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.854 2.856 9.201 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.575 2.063 7.648 1.00 0.00 H new ATOM 1126 N GLY A 70 1.983 0.143 9.477 1.00 0.00 N ATOM 1127 CA GLY A 70 2.751 0.460 10.666 1.00 0.00 C ATOM 1128 C GLY A 70 3.355 -0.772 11.311 1.00 0.00 C ATOM 1129 O GLY A 70 3.465 -0.849 12.535 1.00 0.00 O ATOM 0 H GLY A 70 2.430 0.401 8.597 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.547 1.157 10.405 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.108 0.965 11.386 1.00 0.00 H new ATOM 1133 N ARG A 71 3.745 -1.739 10.487 1.00 0.00 N ATOM 1134 CA ARG A 71 4.337 -2.975 10.985 1.00 0.00 C ATOM 1135 C ARG A 71 5.835 -2.803 11.223 1.00 0.00 C ATOM 1136 O ARG A 71 6.468 -1.919 10.646 1.00 0.00 O ATOM 1137 CB ARG A 71 4.094 -4.117 9.997 1.00 0.00 C ATOM 1138 CG ARG A 71 4.118 -5.494 10.640 1.00 0.00 C ATOM 1139 CD ARG A 71 4.106 -6.597 9.593 1.00 0.00 C ATOM 1140 NE ARG A 71 4.032 -7.925 10.198 1.00 0.00 N ATOM 1141 CZ ARG A 71 5.061 -8.520 10.790 1.00 0.00 C ATOM 1142 NH1 ARG A 71 6.236 -7.909 10.857 1.00 0.00 N ATOM 1143 NH2 ARG A 71 4.916 -9.729 11.318 1.00 0.00 N ATOM 0 H ARG A 71 3.662 -1.690 9.472 1.00 0.00 H new ATOM 0 HA ARG A 71 3.861 -3.219 11.935 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.129 -3.968 9.513 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.852 -4.077 9.215 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.008 -5.591 11.262 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.256 -5.605 11.297 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.256 -6.455 8.926 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.006 -6.527 8.982 1.00 0.00 H new ATOM 0 HE ARG A 71 3.142 -8.422 10.164 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.351 -6.979 10.453 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.025 -8.369 11.312 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.014 -10.202 11.269 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.707 -10.185 11.773 1.00 0.00 H new ATOM 1157 N LYS A 72 6.395 -3.653 12.076 1.00 0.00 N ATOM 1158 CA LYS A 72 7.818 -3.597 12.390 1.00 0.00 C ATOM 1159 C LYS A 72 8.623 -4.458 11.421 1.00 0.00 C ATOM 1160 O LYS A 72 8.473 -5.680 11.389 1.00 0.00 O ATOM 1161 CB LYS A 72 8.063 -4.064 13.827 1.00 0.00 C ATOM 1162 CG LYS A 72 8.028 -2.938 14.846 1.00 0.00 C ATOM 1163 CD LYS A 72 9.421 -2.404 15.134 1.00 0.00 C ATOM 1164 CE LYS A 72 9.747 -1.199 14.266 1.00 0.00 C ATOM 1165 NZ LYS A 72 9.356 0.080 14.922 1.00 0.00 N ATOM 0 H LYS A 72 5.885 -4.390 12.563 1.00 0.00 H new ATOM 0 HA LYS A 72 8.146 -2.563 12.289 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.310 -4.807 14.092 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.032 -4.560 13.879 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.397 -2.130 14.476 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.576 -3.297 15.771 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.495 -2.127 16.186 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.156 -3.189 14.959 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.815 -1.185 14.051 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.231 -1.290 13.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.656 0.880 14.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.323 0.107 15.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.815 0.147 15.853 1.00 0.00 H new ATOM 1179 N ILE A 73 9.477 -3.813 10.634 1.00 0.00 N ATOM 1180 CA ILE A 73 10.308 -4.520 9.667 1.00 0.00 C ATOM 1181 C ILE A 73 11.758 -4.052 9.742 1.00 0.00 C ATOM 1182 O ILE A 73 12.058 -2.882 9.499 1.00 0.00 O ATOM 1183 CB ILE A 73 9.790 -4.322 8.230 1.00 0.00 C ATOM 1184 CG1 ILE A 73 8.378 -4.896 8.090 1.00 0.00 C ATOM 1185 CG2 ILE A 73 10.734 -4.976 7.232 1.00 0.00 C ATOM 1186 CD1 ILE A 73 7.697 -4.515 6.794 1.00 0.00 C ATOM 0 H ILE A 73 9.612 -2.802 10.647 1.00 0.00 H new ATOM 0 HA ILE A 73 10.257 -5.579 9.921 1.00 0.00 H new ATOM 0 HB ILE A 73 9.751 -3.254 8.018 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.428 -5.983 8.159 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.770 -4.551 8.926 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.354 -4.828 6.221 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.723 -4.526 7.318 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.802 -6.044 7.441 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.701 -4.956 6.763 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.615 -3.430 6.731 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.284 -4.884 5.953 1.00 0.00 H new ATOM 1198 N LEU A 74 12.653 -4.974 10.077 1.00 0.00 N ATOM 1199 CA LEU A 74 14.074 -4.657 10.181 1.00 0.00 C ATOM 1200 C LEU A 74 14.321 -3.618 11.270 1.00 0.00 C ATOM 1201 O LEU A 74 15.239 -2.805 11.168 1.00 0.00 O ATOM 1202 CB LEU A 74 14.602 -4.145 8.841 1.00 0.00 C ATOM 1203 CG LEU A 74 14.581 -5.145 7.684 1.00 0.00 C ATOM 1204 CD1 LEU A 74 14.883 -4.447 6.368 1.00 0.00 C ATOM 1205 CD2 LEU A 74 15.576 -6.270 7.934 1.00 0.00 C ATOM 0 H LEU A 74 12.421 -5.946 10.281 1.00 0.00 H new ATOM 0 HA LEU A 74 14.607 -5.570 10.448 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.016 -3.273 8.552 1.00 0.00 H new ATOM 0 HB3 LEU A 74 15.628 -3.806 8.983 1.00 0.00 H new ATOM 0 HG LEU A 74 13.582 -5.577 7.621 1.00 0.00 H new ATOM 0 HD11 LEU A 74 14.863 -5.175 5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 74 14.133 -3.678 6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 74 15.870 -3.987 6.418 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.548 -6.972 7.101 1.00 0.00 H new ATOM 0 HD22 LEU A 74 16.580 -5.855 8.025 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.314 -6.790 8.856 1.00 0.00 H new ATOM 1217 N GLY A 75 13.497 -3.652 12.312 1.00 0.00 N ATOM 1218 CA GLY A 75 13.643 -2.709 13.405 1.00 0.00 C ATOM 1219 C GLY A 75 13.052 -1.350 13.083 1.00 0.00 C ATOM 1220 O GLY A 75 13.073 -0.442 13.914 1.00 0.00 O ATOM 0 H GLY A 75 12.730 -4.316 12.419 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.158 -3.111 14.294 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.701 -2.594 13.643 1.00 0.00 H new ATOM 1224 N LYS A 76 12.524 -1.209 11.872 1.00 0.00 N ATOM 1225 CA LYS A 76 11.924 0.048 11.440 1.00 0.00 C ATOM 1226 C LYS A 76 10.448 -0.141 11.103 1.00 0.00 C ATOM 1227 O LYS A 76 10.094 -0.991 10.287 1.00 0.00 O ATOM 1228 CB LYS A 76 12.670 0.601 10.224 1.00 0.00 C ATOM 1229 CG LYS A 76 12.639 2.117 10.130 1.00 0.00 C ATOM 1230 CD LYS A 76 13.157 2.602 8.786 1.00 0.00 C ATOM 1231 CE LYS A 76 12.988 4.106 8.634 1.00 0.00 C ATOM 1232 NZ LYS A 76 14.165 4.853 9.157 1.00 0.00 N ATOM 0 H LYS A 76 12.499 -1.950 11.172 1.00 0.00 H new ATOM 0 HA LYS A 76 12.002 0.761 12.261 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.707 0.269 10.262 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.234 0.180 9.318 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.619 2.471 10.277 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.243 2.545 10.930 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.210 2.341 8.685 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.624 2.092 7.984 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.841 4.350 7.582 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.091 4.426 9.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.010 5.874 9.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.290 4.640 10.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.018 4.567 8.635 1.00 0.00 H new ATOM 1246 N GLU A 77 9.594 0.656 11.736 1.00 0.00 N ATOM 1247 CA GLU A 77 8.158 0.577 11.501 1.00 0.00 C ATOM 1248 C GLU A 77 7.794 1.169 10.142 1.00 0.00 C ATOM 1249 O GLU A 77 8.050 2.343 9.876 1.00 0.00 O ATOM 1250 CB GLU A 77 7.395 1.307 12.609 1.00 0.00 C ATOM 1251 CG GLU A 77 6.023 0.720 12.892 1.00 0.00 C ATOM 1252 CD GLU A 77 5.107 1.698 13.605 1.00 0.00 C ATOM 1253 OE1 GLU A 77 4.770 2.739 13.004 1.00 0.00 O ATOM 1254 OE2 GLU A 77 4.728 1.420 14.761 1.00 0.00 O ATOM 0 H GLU A 77 9.872 1.364 12.416 1.00 0.00 H new ATOM 0 HA GLU A 77 7.874 -0.475 11.507 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.987 1.282 13.524 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.282 2.355 12.331 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.562 0.414 11.953 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.134 -0.178 13.500 1.00 0.00 H new ATOM 1261 N VAL A 78 7.195 0.347 9.286 1.00 0.00 N ATOM 1262 CA VAL A 78 6.796 0.788 7.955 1.00 0.00 C ATOM 1263 C VAL A 78 5.332 1.208 7.931 1.00 0.00 C ATOM 1264 O VAL A 78 4.470 0.527 8.490 1.00 0.00 O ATOM 1265 CB VAL A 78 7.019 -0.318 6.907 1.00 0.00 C ATOM 1266 CG1 VAL A 78 8.330 -1.045 7.167 1.00 0.00 C ATOM 1267 CG2 VAL A 78 5.852 -1.292 6.905 1.00 0.00 C ATOM 0 H VAL A 78 6.975 -0.628 9.491 1.00 0.00 H new ATOM 0 HA VAL A 78 7.421 1.646 7.706 1.00 0.00 H new ATOM 0 HB VAL A 78 7.078 0.146 5.922 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.470 -1.823 6.416 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.156 -0.336 7.113 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.305 -1.498 8.158 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.026 -2.067 6.159 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.759 -1.751 7.889 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.933 -0.758 6.666 1.00 0.00 H new ATOM 1277 N LYS A 79 5.054 2.332 7.281 1.00 0.00 N ATOM 1278 CA LYS A 79 3.692 2.844 7.182 1.00 0.00 C ATOM 1279 C LYS A 79 3.065 2.466 5.843 1.00 0.00 C ATOM 1280 O LYS A 79 3.603 2.782 4.783 1.00 0.00 O ATOM 1281 CB LYS A 79 3.682 4.365 7.350 1.00 0.00 C ATOM 1282 CG LYS A 79 4.556 5.093 6.344 1.00 0.00 C ATOM 1283 CD LYS A 79 4.485 6.599 6.531 1.00 0.00 C ATOM 1284 CE LYS A 79 3.167 7.162 6.022 1.00 0.00 C ATOM 1285 NZ LYS A 79 2.971 8.579 6.437 1.00 0.00 N ATOM 0 H LYS A 79 5.755 2.907 6.814 1.00 0.00 H new ATOM 0 HA LYS A 79 3.103 2.393 7.980 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.658 4.726 7.257 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.017 4.613 8.357 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.589 4.761 6.450 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.240 4.836 5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.602 6.841 7.587 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.312 7.072 6.002 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.140 7.095 4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.343 6.556 6.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.062 8.926 6.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.972 8.640 7.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.743 9.162 6.056 1.00 0.00 H new ATOM 1299 N VAL A 80 1.923 1.788 5.900 1.00 0.00 N ATOM 1300 CA VAL A 80 1.221 1.369 4.693 1.00 0.00 C ATOM 1301 C VAL A 80 -0.164 2.003 4.614 1.00 0.00 C ATOM 1302 O VAL A 80 -0.947 1.927 5.561 1.00 0.00 O ATOM 1303 CB VAL A 80 1.076 -0.162 4.629 1.00 0.00 C ATOM 1304 CG1 VAL A 80 0.554 -0.594 3.268 1.00 0.00 C ATOM 1305 CG2 VAL A 80 2.405 -0.835 4.938 1.00 0.00 C ATOM 0 H VAL A 80 1.464 1.517 6.770 1.00 0.00 H new ATOM 0 HA VAL A 80 1.821 1.705 3.847 1.00 0.00 H new ATOM 0 HB VAL A 80 0.353 -0.473 5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.458 -1.680 3.243 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.421 -0.140 3.091 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.250 -0.273 2.493 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.285 -1.917 4.889 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.151 -0.519 4.209 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.732 -0.552 5.938 1.00 0.00 H new ATOM 1315 N ASN A 81 -0.459 2.628 3.478 1.00 0.00 N ATOM 1316 CA ASN A 81 -1.750 3.275 3.276 1.00 0.00 C ATOM 1317 C ASN A 81 -2.258 3.043 1.857 1.00 0.00 C ATOM 1318 O ASN A 81 -1.503 2.635 0.974 1.00 0.00 O ATOM 1319 CB ASN A 81 -1.640 4.776 3.550 1.00 0.00 C ATOM 1320 CG ASN A 81 -2.969 5.491 3.395 1.00 0.00 C ATOM 1321 OD1 ASN A 81 -3.120 6.360 2.536 1.00 0.00 O ATOM 1322 ND2 ASN A 81 -3.937 5.128 4.226 1.00 0.00 N ATOM 0 H ASN A 81 0.178 2.700 2.685 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.462 2.836 3.975 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.263 4.931 4.561 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.913 5.215 2.867 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.852 5.574 4.169 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.766 4.403 4.922 1.00 0.00 H new ATOM 1329 N TRP A 82 -3.544 3.304 1.644 1.00 0.00 N ATOM 1330 CA TRP A 82 -4.153 3.124 0.331 1.00 0.00 C ATOM 1331 C TRP A 82 -3.566 4.102 -0.680 1.00 0.00 C ATOM 1332 O TRP A 82 -3.660 5.316 -0.510 1.00 0.00 O ATOM 1333 CB TRP A 82 -5.668 3.311 0.420 1.00 0.00 C ATOM 1334 CG TRP A 82 -6.366 2.183 1.120 1.00 0.00 C ATOM 1335 CD1 TRP A 82 -6.852 2.187 2.396 1.00 0.00 C ATOM 1336 CD2 TRP A 82 -6.653 0.888 0.583 1.00 0.00 C ATOM 1337 NE1 TRP A 82 -7.424 0.971 2.685 1.00 0.00 N ATOM 1338 CE2 TRP A 82 -7.316 0.157 1.588 1.00 0.00 C ATOM 1339 CE3 TRP A 82 -6.417 0.274 -0.650 1.00 0.00 C ATOM 1340 CZ2 TRP A 82 -7.742 -1.154 1.397 1.00 0.00 C ATOM 1341 CZ3 TRP A 82 -6.840 -1.027 -0.839 1.00 0.00 C ATOM 1342 CH2 TRP A 82 -7.497 -1.730 0.180 1.00 0.00 C ATOM 0 H TRP A 82 -4.184 3.641 2.363 1.00 0.00 H new ATOM 0 HA TRP A 82 -3.938 2.110 -0.006 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -5.882 4.242 0.944 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -6.074 3.411 -0.586 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -6.795 3.023 3.078 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -7.858 0.716 3.572 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.912 0.808 -1.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.248 -1.697 2.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -6.662 -1.511 -1.788 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -7.816 -2.746 0.001 1.00 0.00 H new ATOM 1353 N ALA A 83 -2.960 3.564 -1.733 1.00 0.00 N ATOM 1354 CA ALA A 83 -2.360 4.390 -2.773 1.00 0.00 C ATOM 1355 C ALA A 83 -3.427 4.987 -3.684 1.00 0.00 C ATOM 1356 O ALA A 83 -3.389 6.176 -4.006 1.00 0.00 O ATOM 1357 CB ALA A 83 -1.366 3.575 -3.587 1.00 0.00 C ATOM 0 H ALA A 83 -2.872 2.560 -1.888 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.831 5.211 -2.289 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.926 4.205 -4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.579 3.201 -2.932 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.880 2.734 -4.053 1.00 0.00 H new