USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=18 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 Set 1.1: A 17 SER OG : rot 180:sc=0.000418 USER MOD Set 1.2: A 76 LYS NZ :NH3+ 154:sc= -0.12 (180deg=-0.958) USER MOD Set 2.1: A 12 TYR OH : rot 180:sc= 0.193 USER MOD Set 2.2: A 79 LYS NZ :NH3+ -128:sc= 0.41 (180deg=-1.55!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.985 K(o=-0.98,f=-0.28) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.642 USER MOD Single : A 27 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.11) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc=-0.00972 X(o=-0.0097,f=-0.16) USER MOD Single : A 35 CYS SG : rot -38:sc= -0.164 USER MOD Single : A 36 LYS NZ :NH3+ 163:sc= -0.0158 (180deg=-0.193) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= -0.877 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -113:sc= -3.41! (180deg=-5.87!) USER MOD Single : A 50 TYR OH : rot 30:sc= 0 USER MOD Single : A 51 CYS SG : rot 100:sc= -0.988 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= 1.12 K(o=1.1,f=-3.5!) USER MOD Single : A 68 MET CE :methyl 158:sc= -4.16 (180deg=-5.77!) USER MOD Single : A 69 ASN : amide:sc= -0.526 X(o=-0.53,f=-0.96) USER MOD Single : A 72 LYS NZ :NH3+ 154:sc= -11.7! (180deg=-13.6!) USER MOD Single : A 81 ASN : amide:sc= -0.228 X(o=-0.23,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 163 N PRO A 8 -9.933 -0.401 -4.848 1.00 0.00 N ATOM 164 CA PRO A 8 -8.484 -0.210 -4.965 1.00 0.00 C ATOM 165 C PRO A 8 -7.698 -1.436 -4.515 1.00 0.00 C ATOM 166 O PRO A 8 -8.081 -2.116 -3.562 1.00 0.00 O ATOM 167 CB PRO A 8 -8.206 0.974 -4.036 1.00 0.00 C ATOM 168 CG PRO A 8 -9.313 0.941 -3.039 1.00 0.00 C ATOM 169 CD PRO A 8 -10.517 0.421 -3.776 1.00 0.00 C ATOM 0 HA PRO A 8 -8.178 -0.041 -5.997 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.234 0.878 -3.552 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.196 1.915 -4.586 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.061 0.296 -2.197 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.503 1.935 -2.633 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.163 -0.168 -3.125 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.124 1.233 -4.177 1.00 0.00 H new ATOM 177 N ARG A 9 -6.597 -1.716 -5.206 1.00 0.00 N ATOM 178 CA ARG A 9 -5.759 -2.861 -4.878 1.00 0.00 C ATOM 179 C ARG A 9 -4.292 -2.451 -4.777 1.00 0.00 C ATOM 180 O ARG A 9 -3.393 -3.283 -4.907 1.00 0.00 O ATOM 181 CB ARG A 9 -5.923 -3.959 -5.931 1.00 0.00 C ATOM 182 CG ARG A 9 -7.260 -4.678 -5.859 1.00 0.00 C ATOM 183 CD ARG A 9 -7.686 -5.198 -7.223 1.00 0.00 C ATOM 184 NE ARG A 9 -7.782 -4.128 -8.212 1.00 0.00 N ATOM 185 CZ ARG A 9 -8.331 -4.282 -9.411 1.00 0.00 C ATOM 186 NH1 ARG A 9 -8.831 -5.457 -9.769 1.00 0.00 N ATOM 187 NH2 ARG A 9 -8.381 -3.260 -10.256 1.00 0.00 N ATOM 0 H ARG A 9 -6.265 -1.164 -5.997 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.077 -3.247 -3.909 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.809 -3.520 -6.922 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.121 -4.688 -5.811 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.190 -5.509 -5.157 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.020 -3.998 -5.474 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.970 -5.945 -7.566 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.651 -5.698 -7.135 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.406 -3.212 -7.968 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.794 -6.245 -9.123 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.252 -5.573 -10.691 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.997 -2.355 -9.985 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.803 -3.380 -11.177 1.00 0.00 H new ATOM 201 N THR A 10 -4.058 -1.163 -4.548 1.00 0.00 N ATOM 202 CA THR A 10 -2.702 -0.642 -4.432 1.00 0.00 C ATOM 203 C THR A 10 -2.465 -0.024 -3.059 1.00 0.00 C ATOM 204 O THR A 10 -3.322 0.684 -2.530 1.00 0.00 O ATOM 205 CB THR A 10 -2.413 0.416 -5.515 1.00 0.00 C ATOM 206 OG1 THR A 10 -2.872 -0.050 -6.789 1.00 0.00 O ATOM 207 CG2 THR A 10 -0.925 0.722 -5.588 1.00 0.00 C ATOM 0 H THR A 10 -4.790 -0.461 -4.439 1.00 0.00 H new ATOM 0 HA THR A 10 -2.026 -1.486 -4.568 1.00 0.00 H new ATOM 0 HB THR A 10 -2.944 1.330 -5.250 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.686 0.628 -7.472 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.745 1.471 -6.359 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.584 1.103 -4.625 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.378 -0.189 -5.832 1.00 0.00 H new ATOM 215 N LEU A 11 -1.297 -0.296 -2.487 1.00 0.00 N ATOM 216 CA LEU A 11 -0.948 0.235 -1.174 1.00 0.00 C ATOM 217 C LEU A 11 0.431 0.886 -1.200 1.00 0.00 C ATOM 218 O LEU A 11 1.365 0.364 -1.810 1.00 0.00 O ATOM 219 CB LEU A 11 -0.977 -0.881 -0.127 1.00 0.00 C ATOM 220 CG LEU A 11 -2.046 -1.956 -0.323 1.00 0.00 C ATOM 221 CD1 LEU A 11 -1.726 -3.186 0.514 1.00 0.00 C ATOM 222 CD2 LEU A 11 -3.422 -1.413 0.031 1.00 0.00 C ATOM 0 H LEU A 11 -0.577 -0.880 -2.911 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.684 0.994 -0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.001 -1.366 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.121 -0.428 0.854 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.052 -2.247 -1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.498 -3.941 0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.759 -3.590 0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.691 -2.910 1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.169 -2.193 -0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.430 -1.093 1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.654 -0.563 -0.611 1.00 0.00 H new ATOM 234 N TYR A 12 0.553 2.028 -0.533 1.00 0.00 N ATOM 235 CA TYR A 12 1.818 2.752 -0.479 1.00 0.00 C ATOM 236 C TYR A 12 2.579 2.424 0.801 1.00 0.00 C ATOM 237 O TYR A 12 2.060 2.589 1.905 1.00 0.00 O ATOM 238 CB TYR A 12 1.571 4.259 -0.568 1.00 0.00 C ATOM 239 CG TYR A 12 2.690 5.091 0.018 1.00 0.00 C ATOM 240 CD1 TYR A 12 2.811 5.259 1.392 1.00 0.00 C ATOM 241 CD2 TYR A 12 3.627 5.707 -0.803 1.00 0.00 C ATOM 242 CE1 TYR A 12 3.831 6.019 1.932 1.00 0.00 C ATOM 243 CE2 TYR A 12 4.652 6.467 -0.272 1.00 0.00 C ATOM 244 CZ TYR A 12 4.749 6.620 1.095 1.00 0.00 C ATOM 245 OH TYR A 12 5.767 7.377 1.629 1.00 0.00 O ATOM 0 H TYR A 12 -0.209 2.473 -0.022 1.00 0.00 H new ATOM 0 HA TYR A 12 2.423 2.439 -1.330 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.433 4.535 -1.613 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.642 4.498 -0.050 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.095 4.787 2.049 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.553 5.590 -1.874 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.909 6.142 3.002 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.373 6.938 -0.924 1.00 0.00 H new ATOM 0 HH TYR A 12 6.327 7.729 0.906 1.00 0.00 H new ATOM 255 N VAL A 13 3.815 1.958 0.644 1.00 0.00 N ATOM 256 CA VAL A 13 4.650 1.608 1.787 1.00 0.00 C ATOM 257 C VAL A 13 5.772 2.621 1.978 1.00 0.00 C ATOM 258 O VAL A 13 6.596 2.827 1.088 1.00 0.00 O ATOM 259 CB VAL A 13 5.264 0.204 1.625 1.00 0.00 C ATOM 260 CG1 VAL A 13 5.915 -0.247 2.922 1.00 0.00 C ATOM 261 CG2 VAL A 13 4.204 -0.791 1.175 1.00 0.00 C ATOM 0 H VAL A 13 4.259 1.814 -0.263 1.00 0.00 H new ATOM 0 HA VAL A 13 4.004 1.615 2.665 1.00 0.00 H new ATOM 0 HB VAL A 13 6.036 0.250 0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.343 -1.240 2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.704 0.454 3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.166 -0.278 3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.654 -1.778 1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.408 -0.836 1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.789 -0.473 0.218 1.00 0.00 H new ATOM 271 N GLY A 14 5.798 3.255 3.147 1.00 0.00 N ATOM 272 CA GLY A 14 6.824 4.239 3.436 1.00 0.00 C ATOM 273 C GLY A 14 7.523 3.981 4.756 1.00 0.00 C ATOM 274 O GLY A 14 7.127 3.095 5.512 1.00 0.00 O ATOM 0 H GLY A 14 5.126 3.104 3.899 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.561 4.237 2.633 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.375 5.232 3.455 1.00 0.00 H new ATOM 278 N ASN A 15 8.567 4.755 5.032 1.00 0.00 N ATOM 279 CA ASN A 15 9.324 4.603 6.269 1.00 0.00 C ATOM 280 C ASN A 15 10.051 3.262 6.301 1.00 0.00 C ATOM 281 O ASN A 15 10.006 2.543 7.300 1.00 0.00 O ATOM 282 CB ASN A 15 8.394 4.720 7.479 1.00 0.00 C ATOM 283 CG ASN A 15 9.107 5.250 8.708 1.00 0.00 C ATOM 284 OD1 ASN A 15 8.945 6.411 9.081 1.00 0.00 O ATOM 285 ND2 ASN A 15 9.904 4.397 9.343 1.00 0.00 N ATOM 0 H ASN A 15 8.908 5.493 4.416 1.00 0.00 H new ATOM 0 HA ASN A 15 10.066 5.400 6.311 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.562 5.380 7.232 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.969 3.742 7.703 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.411 4.696 10.176 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.008 3.443 8.998 1.00 0.00 H new ATOM 292 N LEU A 16 10.722 2.933 5.203 1.00 0.00 N ATOM 293 CA LEU A 16 11.460 1.678 5.104 1.00 0.00 C ATOM 294 C LEU A 16 12.946 1.899 5.368 1.00 0.00 C ATOM 295 O LEU A 16 13.444 3.020 5.270 1.00 0.00 O ATOM 296 CB LEU A 16 11.263 1.056 3.720 1.00 0.00 C ATOM 297 CG LEU A 16 9.828 0.682 3.351 1.00 0.00 C ATOM 298 CD1 LEU A 16 9.700 0.473 1.850 1.00 0.00 C ATOM 299 CD2 LEU A 16 9.392 -0.567 4.103 1.00 0.00 C ATOM 0 H LEU A 16 10.771 3.518 4.368 1.00 0.00 H new ATOM 0 HA LEU A 16 11.073 0.996 5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.639 1.755 2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.879 0.159 3.656 1.00 0.00 H new ATOM 0 HG LEU A 16 9.173 1.504 3.640 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.671 0.207 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.970 1.392 1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.366 -0.331 1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.368 -0.818 3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.051 -1.396 3.845 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.445 -0.383 5.176 1.00 0.00 H new ATOM 311 N SER A 17 13.648 0.821 5.703 1.00 0.00 N ATOM 312 CA SER A 17 15.077 0.898 5.983 1.00 0.00 C ATOM 313 C SER A 17 15.892 0.708 4.708 1.00 0.00 C ATOM 314 O SER A 17 15.493 -0.032 3.808 1.00 0.00 O ATOM 315 CB SER A 17 15.473 -0.160 7.017 1.00 0.00 C ATOM 316 OG SER A 17 16.673 0.198 7.678 1.00 0.00 O ATOM 0 H SER A 17 13.251 -0.115 5.787 1.00 0.00 H new ATOM 0 HA SER A 17 15.290 1.888 6.385 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.673 -0.277 7.748 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.599 -1.125 6.525 1.00 0.00 H new ATOM 0 HG SER A 17 16.904 -0.492 8.334 1.00 0.00 H new ATOM 322 N ARG A 18 17.036 1.380 4.638 1.00 0.00 N ATOM 323 CA ARG A 18 17.907 1.287 3.472 1.00 0.00 C ATOM 324 C ARG A 18 18.185 -0.170 3.116 1.00 0.00 C ATOM 325 O ARG A 18 18.608 -0.478 2.002 1.00 0.00 O ATOM 326 CB ARG A 18 19.225 2.020 3.735 1.00 0.00 C ATOM 327 CG ARG A 18 19.136 3.524 3.531 1.00 0.00 C ATOM 328 CD ARG A 18 20.475 4.107 3.106 1.00 0.00 C ATOM 329 NE ARG A 18 20.603 5.513 3.484 1.00 0.00 N ATOM 330 CZ ARG A 18 21.562 6.311 3.028 1.00 0.00 C ATOM 331 NH1 ARG A 18 22.473 5.845 2.184 1.00 0.00 N ATOM 332 NH2 ARG A 18 21.612 7.579 3.417 1.00 0.00 N ATOM 0 H ARG A 18 17.382 1.995 5.375 1.00 0.00 H new ATOM 0 HA ARG A 18 17.398 1.757 2.630 1.00 0.00 H new ATOM 0 HB2 ARG A 18 19.545 1.819 4.757 1.00 0.00 H new ATOM 0 HB3 ARG A 18 19.993 1.617 3.075 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.384 3.746 2.774 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.808 3.999 4.455 1.00 0.00 H new ATOM 0 HD2 ARG A 18 21.282 3.534 3.563 1.00 0.00 H new ATOM 0 HD3 ARG A 18 20.587 4.010 2.026 1.00 0.00 H new ATOM 0 HE ARG A 18 19.919 5.902 4.133 1.00 0.00 H new ATOM 0 HH11 ARG A 18 22.439 4.871 1.883 1.00 0.00 H new ATOM 0 HH12 ARG A 18 23.208 6.461 1.836 1.00 0.00 H new ATOM 0 HH21 ARG A 18 20.914 7.941 4.066 1.00 0.00 H new ATOM 0 HH22 ARG A 18 22.349 8.191 3.067 1.00 0.00 H new ATOM 346 N ASP A 19 17.945 -1.063 4.070 1.00 0.00 N ATOM 347 CA ASP A 19 18.169 -2.488 3.857 1.00 0.00 C ATOM 348 C ASP A 19 16.986 -3.121 3.129 1.00 0.00 C ATOM 349 O ASP A 19 17.161 -4.017 2.303 1.00 0.00 O ATOM 350 CB ASP A 19 18.399 -3.195 5.194 1.00 0.00 C ATOM 351 CG ASP A 19 18.964 -4.591 5.020 1.00 0.00 C ATOM 352 OD1 ASP A 19 18.174 -5.523 4.759 1.00 0.00 O ATOM 353 OD2 ASP A 19 20.196 -4.753 5.146 1.00 0.00 O ATOM 0 H ASP A 19 17.595 -0.825 4.998 1.00 0.00 H new ATOM 0 HA ASP A 19 19.058 -2.603 3.237 1.00 0.00 H new ATOM 0 HB2 ASP A 19 19.083 -2.603 5.802 1.00 0.00 H new ATOM 0 HB3 ASP A 19 17.456 -3.253 5.738 1.00 0.00 H new ATOM 358 N VAL A 20 15.783 -2.650 3.443 1.00 0.00 N ATOM 359 CA VAL A 20 14.573 -3.170 2.820 1.00 0.00 C ATOM 360 C VAL A 20 14.735 -3.273 1.307 1.00 0.00 C ATOM 361 O VAL A 20 15.282 -2.376 0.667 1.00 0.00 O ATOM 362 CB VAL A 20 13.354 -2.282 3.135 1.00 0.00 C ATOM 363 CG1 VAL A 20 12.108 -2.824 2.453 1.00 0.00 C ATOM 364 CG2 VAL A 20 13.146 -2.178 4.638 1.00 0.00 C ATOM 0 H VAL A 20 15.621 -1.909 4.125 1.00 0.00 H new ATOM 0 HA VAL A 20 14.406 -4.165 3.234 1.00 0.00 H new ATOM 0 HB VAL A 20 13.545 -1.281 2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.257 -2.184 2.687 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.262 -2.842 1.374 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.910 -3.835 2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.281 -1.547 4.843 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.976 -3.172 5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.032 -1.740 5.098 1.00 0.00 H new ATOM 374 N THR A 21 14.253 -4.374 0.740 1.00 0.00 N ATOM 375 CA THR A 21 14.345 -4.598 -0.698 1.00 0.00 C ATOM 376 C THR A 21 12.987 -4.967 -1.284 1.00 0.00 C ATOM 377 O THR A 21 12.064 -5.329 -0.555 1.00 0.00 O ATOM 378 CB THR A 21 15.356 -5.711 -1.031 1.00 0.00 C ATOM 379 OG1 THR A 21 15.199 -6.803 -0.118 1.00 0.00 O ATOM 380 CG2 THR A 21 16.781 -5.185 -0.961 1.00 0.00 C ATOM 0 H THR A 21 13.794 -5.126 1.255 1.00 0.00 H new ATOM 0 HA THR A 21 14.688 -3.663 -1.142 1.00 0.00 H new ATOM 0 HB THR A 21 15.163 -6.056 -2.047 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.844 -7.508 -0.337 1.00 0.00 H new ATOM 0 HG21 THR A 21 17.478 -5.989 -1.200 1.00 0.00 H new ATOM 0 HG22 THR A 21 16.905 -4.373 -1.677 1.00 0.00 H new ATOM 0 HG23 THR A 21 16.984 -4.816 0.044 1.00 0.00 H new ATOM 388 N GLU A 22 12.873 -4.872 -2.605 1.00 0.00 N ATOM 389 CA GLU A 22 11.626 -5.197 -3.288 1.00 0.00 C ATOM 390 C GLU A 22 11.201 -6.633 -2.992 1.00 0.00 C ATOM 391 O GLU A 22 10.034 -6.900 -2.709 1.00 0.00 O ATOM 392 CB GLU A 22 11.780 -5.001 -4.797 1.00 0.00 C ATOM 393 CG GLU A 22 10.606 -5.530 -5.604 1.00 0.00 C ATOM 394 CD GLU A 22 10.783 -6.981 -6.009 1.00 0.00 C ATOM 395 OE1 GLU A 22 10.584 -7.866 -5.152 1.00 0.00 O ATOM 396 OE2 GLU A 22 11.122 -7.229 -7.185 1.00 0.00 O ATOM 0 H GLU A 22 13.628 -4.573 -3.223 1.00 0.00 H new ATOM 0 HA GLU A 22 10.853 -4.524 -2.918 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.904 -3.938 -5.006 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.691 -5.499 -5.128 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.692 -5.429 -5.018 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.480 -4.920 -6.498 1.00 0.00 H new ATOM 403 N VAL A 23 12.158 -7.553 -3.060 1.00 0.00 N ATOM 404 CA VAL A 23 11.884 -8.961 -2.798 1.00 0.00 C ATOM 405 C VAL A 23 11.475 -9.181 -1.346 1.00 0.00 C ATOM 406 O VAL A 23 10.626 -10.022 -1.050 1.00 0.00 O ATOM 407 CB VAL A 23 13.110 -9.838 -3.114 1.00 0.00 C ATOM 408 CG1 VAL A 23 12.832 -11.291 -2.758 1.00 0.00 C ATOM 409 CG2 VAL A 23 13.499 -9.704 -4.578 1.00 0.00 C ATOM 0 H VAL A 23 13.129 -7.349 -3.294 1.00 0.00 H new ATOM 0 HA VAL A 23 11.061 -9.251 -3.451 1.00 0.00 H new ATOM 0 HB VAL A 23 13.948 -9.493 -2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.709 -11.896 -2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 23 12.606 -11.368 -1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 23 11.981 -11.651 -3.336 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.367 -10.331 -4.783 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.666 -10.021 -5.206 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.743 -8.664 -4.796 1.00 0.00 H new ATOM 419 N LEU A 24 12.084 -8.419 -0.445 1.00 0.00 N ATOM 420 CA LEU A 24 11.782 -8.530 0.979 1.00 0.00 C ATOM 421 C LEU A 24 10.325 -8.177 1.256 1.00 0.00 C ATOM 422 O LEU A 24 9.607 -8.930 1.914 1.00 0.00 O ATOM 423 CB LEU A 24 12.702 -7.614 1.788 1.00 0.00 C ATOM 424 CG LEU A 24 12.754 -7.876 3.294 1.00 0.00 C ATOM 425 CD1 LEU A 24 13.846 -7.040 3.943 1.00 0.00 C ATOM 426 CD2 LEU A 24 11.405 -7.583 3.932 1.00 0.00 C ATOM 0 H LEU A 24 12.789 -7.718 -0.674 1.00 0.00 H new ATOM 0 HA LEU A 24 11.950 -9.564 1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.712 -7.703 1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.386 -6.583 1.629 1.00 0.00 H new ATOM 0 HG LEU A 24 12.988 -8.929 3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.868 -7.239 5.014 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.810 -7.298 3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.643 -5.982 3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.460 -7.775 5.004 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.142 -6.539 3.763 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.645 -8.225 3.487 1.00 0.00 H new ATOM 438 N ILE A 25 9.893 -7.027 0.748 1.00 0.00 N ATOM 439 CA ILE A 25 8.520 -6.576 0.938 1.00 0.00 C ATOM 440 C ILE A 25 7.525 -7.597 0.395 1.00 0.00 C ATOM 441 O ILE A 25 6.558 -7.957 1.067 1.00 0.00 O ATOM 442 CB ILE A 25 8.273 -5.219 0.253 1.00 0.00 C ATOM 443 CG1 ILE A 25 9.136 -4.132 0.896 1.00 0.00 C ATOM 444 CG2 ILE A 25 6.799 -4.848 0.329 1.00 0.00 C ATOM 445 CD1 ILE A 25 8.630 -3.681 2.248 1.00 0.00 C ATOM 0 H ILE A 25 10.474 -6.391 0.202 1.00 0.00 H new ATOM 0 HA ILE A 25 8.371 -6.464 2.012 1.00 0.00 H new ATOM 0 HB ILE A 25 8.553 -5.303 -0.797 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.155 -4.504 1.004 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.180 -3.272 0.228 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.640 -3.887 -0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.205 -5.612 -0.172 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.495 -4.779 1.373 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.290 -2.910 2.645 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.623 -3.278 2.144 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.612 -4.530 2.932 1.00 0.00 H new ATOM 457 N LEU A 26 7.771 -8.060 -0.825 1.00 0.00 N ATOM 458 CA LEU A 26 6.898 -9.042 -1.460 1.00 0.00 C ATOM 459 C LEU A 26 6.824 -10.321 -0.631 1.00 0.00 C ATOM 460 O LEU A 26 5.801 -11.005 -0.619 1.00 0.00 O ATOM 461 CB LEU A 26 7.398 -9.363 -2.870 1.00 0.00 C ATOM 462 CG LEU A 26 7.041 -8.347 -3.956 1.00 0.00 C ATOM 463 CD1 LEU A 26 7.753 -8.683 -5.256 1.00 0.00 C ATOM 464 CD2 LEU A 26 5.534 -8.300 -4.167 1.00 0.00 C ATOM 0 H LEU A 26 8.567 -7.772 -1.394 1.00 0.00 H new ATOM 0 HA LEU A 26 5.898 -8.614 -1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.483 -9.462 -2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.999 -10.334 -3.163 1.00 0.00 H new ATOM 0 HG LEU A 26 7.373 -7.362 -3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.487 -7.949 -6.017 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.831 -8.665 -5.096 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.453 -9.676 -5.589 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.298 -7.572 -4.943 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.178 -9.284 -4.472 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.045 -8.010 -3.237 1.00 0.00 H new ATOM 476 N GLN A 27 7.915 -10.636 0.060 1.00 0.00 N ATOM 477 CA GLN A 27 7.972 -11.832 0.892 1.00 0.00 C ATOM 478 C GLN A 27 7.024 -11.714 2.081 1.00 0.00 C ATOM 479 O GLN A 27 6.240 -12.624 2.356 1.00 0.00 O ATOM 480 CB GLN A 27 9.400 -12.067 1.385 1.00 0.00 C ATOM 481 CG GLN A 27 10.299 -12.731 0.354 1.00 0.00 C ATOM 482 CD GLN A 27 9.867 -14.149 0.031 1.00 0.00 C ATOM 483 OE1 GLN A 27 10.048 -15.064 0.834 1.00 0.00 O ATOM 484 NE2 GLN A 27 9.293 -14.337 -1.151 1.00 0.00 N ATOM 0 H GLN A 27 8.770 -10.080 0.060 1.00 0.00 H new ATOM 0 HA GLN A 27 7.660 -12.682 0.285 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.837 -11.111 1.674 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.369 -12.687 2.281 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.297 -12.137 -0.560 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.324 -12.743 0.725 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.163 -13.549 -1.786 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.982 -15.269 -1.424 1.00 0.00 H new ATOM 493 N LEU A 28 7.101 -10.589 2.783 1.00 0.00 N ATOM 494 CA LEU A 28 6.249 -10.352 3.943 1.00 0.00 C ATOM 495 C LEU A 28 4.790 -10.197 3.526 1.00 0.00 C ATOM 496 O LEU A 28 3.893 -10.768 4.145 1.00 0.00 O ATOM 497 CB LEU A 28 6.712 -9.102 4.693 1.00 0.00 C ATOM 498 CG LEU A 28 8.167 -9.101 5.163 1.00 0.00 C ATOM 499 CD1 LEU A 28 8.420 -7.941 6.115 1.00 0.00 C ATOM 500 CD2 LEU A 28 8.512 -10.425 5.829 1.00 0.00 C ATOM 0 H LEU A 28 7.744 -9.827 2.569 1.00 0.00 H new ATOM 0 HA LEU A 28 6.329 -11.216 4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.559 -8.238 4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.070 -8.966 5.563 1.00 0.00 H new ATOM 0 HG LEU A 28 8.811 -8.976 4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.461 -7.957 6.439 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.213 -7.000 5.605 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.768 -8.034 6.984 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.551 -10.407 6.157 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.862 -10.579 6.690 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.370 -11.238 5.117 1.00 0.00 H new ATOM 512 N PHE A 29 4.561 -9.424 2.470 1.00 0.00 N ATOM 513 CA PHE A 29 3.211 -9.195 1.968 1.00 0.00 C ATOM 514 C PHE A 29 2.644 -10.463 1.336 1.00 0.00 C ATOM 515 O PHE A 29 1.444 -10.726 1.417 1.00 0.00 O ATOM 516 CB PHE A 29 3.210 -8.057 0.945 1.00 0.00 C ATOM 517 CG PHE A 29 3.131 -6.693 1.567 1.00 0.00 C ATOM 518 CD1 PHE A 29 4.239 -6.128 2.177 1.00 0.00 C ATOM 519 CD2 PHE A 29 1.946 -5.973 1.543 1.00 0.00 C ATOM 520 CE1 PHE A 29 4.170 -4.873 2.750 1.00 0.00 C ATOM 521 CE2 PHE A 29 1.870 -4.717 2.113 1.00 0.00 C ATOM 522 CZ PHE A 29 2.983 -4.166 2.719 1.00 0.00 C ATOM 0 H PHE A 29 5.293 -8.945 1.945 1.00 0.00 H new ATOM 0 HA PHE A 29 2.579 -8.916 2.811 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.116 -8.121 0.342 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.366 -8.188 0.268 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.169 -6.676 2.205 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.072 -6.399 1.073 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.042 -4.445 3.221 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.941 -4.166 2.085 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.925 -3.185 3.167 1.00 0.00 H new ATOM 532 N SER A 30 3.516 -11.244 0.705 1.00 0.00 N ATOM 533 CA SER A 30 3.103 -12.482 0.055 1.00 0.00 C ATOM 534 C SER A 30 2.424 -13.418 1.050 1.00 0.00 C ATOM 535 O SER A 30 1.428 -14.065 0.730 1.00 0.00 O ATOM 536 CB SER A 30 4.309 -13.178 -0.577 1.00 0.00 C ATOM 537 OG SER A 30 4.090 -14.573 -0.692 1.00 0.00 O ATOM 0 H SER A 30 4.513 -11.041 0.630 1.00 0.00 H new ATOM 0 HA SER A 30 2.387 -12.231 -0.727 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.502 -12.755 -1.563 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.197 -12.995 0.028 1.00 0.00 H new ATOM 0 HG SER A 30 4.875 -14.995 -1.100 1.00 0.00 H new ATOM 543 N GLN A 31 2.973 -13.484 2.260 1.00 0.00 N ATOM 544 CA GLN A 31 2.422 -14.342 3.302 1.00 0.00 C ATOM 545 C GLN A 31 0.941 -14.052 3.519 1.00 0.00 C ATOM 546 O GLN A 31 0.166 -14.949 3.854 1.00 0.00 O ATOM 547 CB GLN A 31 3.189 -14.146 4.611 1.00 0.00 C ATOM 548 CG GLN A 31 4.679 -14.423 4.490 1.00 0.00 C ATOM 549 CD GLN A 31 5.315 -14.786 5.818 1.00 0.00 C ATOM 550 OE1 GLN A 31 4.843 -15.680 6.522 1.00 0.00 O ATOM 551 NE2 GLN A 31 6.392 -14.092 6.169 1.00 0.00 N ATOM 0 H GLN A 31 3.798 -12.954 2.542 1.00 0.00 H new ATOM 0 HA GLN A 31 2.527 -15.378 2.978 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.045 -13.122 4.957 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.766 -14.802 5.372 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.837 -15.236 3.781 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.176 -13.543 4.082 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.749 -13.360 5.555 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.862 -14.291 7.052 1.00 0.00 H new ATOM 560 N ILE A 32 0.554 -12.796 3.325 1.00 0.00 N ATOM 561 CA ILE A 32 -0.835 -12.389 3.499 1.00 0.00 C ATOM 562 C ILE A 32 -1.651 -12.671 2.242 1.00 0.00 C ATOM 563 O ILE A 32 -2.747 -13.226 2.313 1.00 0.00 O ATOM 564 CB ILE A 32 -0.944 -10.892 3.845 1.00 0.00 C ATOM 565 CG1 ILE A 32 -0.041 -10.553 5.033 1.00 0.00 C ATOM 566 CG2 ILE A 32 -2.388 -10.522 4.148 1.00 0.00 C ATOM 567 CD1 ILE A 32 0.268 -9.077 5.155 1.00 0.00 C ATOM 0 H ILE A 32 1.183 -12.042 3.047 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.235 -12.974 4.327 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.613 -10.311 2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.520 -10.893 5.951 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.894 -11.105 4.938 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.449 -9.461 4.391 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.008 -10.731 3.276 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.744 -11.109 4.995 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.912 -8.910 6.018 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.775 -8.736 4.253 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.660 -8.520 5.282 1.00 0.00 H new ATOM 579 N GLY A 33 -1.109 -12.284 1.092 1.00 0.00 N ATOM 580 CA GLY A 33 -1.800 -12.504 -0.166 1.00 0.00 C ATOM 581 C GLY A 33 -0.881 -12.373 -1.363 1.00 0.00 C ATOM 582 O GLY A 33 0.275 -11.965 -1.244 1.00 0.00 O ATOM 0 H GLY A 33 -0.204 -11.822 1.008 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.247 -13.498 -0.162 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.616 -11.788 -0.259 1.00 0.00 H new ATOM 586 N PRO A 34 -1.395 -12.725 -2.551 1.00 0.00 N ATOM 587 CA PRO A 34 -0.629 -12.653 -3.798 1.00 0.00 C ATOM 588 C PRO A 34 -0.359 -11.216 -4.231 1.00 0.00 C ATOM 589 O PRO A 34 -1.278 -10.402 -4.319 1.00 0.00 O ATOM 590 CB PRO A 34 -1.535 -13.356 -4.811 1.00 0.00 C ATOM 591 CG PRO A 34 -2.911 -13.199 -4.263 1.00 0.00 C ATOM 592 CD PRO A 34 -2.765 -13.219 -2.766 1.00 0.00 C ATOM 0 HA PRO A 34 0.356 -13.109 -3.698 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.449 -12.904 -5.799 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.269 -14.408 -4.917 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.361 -12.265 -4.599 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.561 -14.006 -4.603 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.503 -12.580 -2.282 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.898 -14.223 -2.362 1.00 0.00 H new ATOM 600 N CYS A 35 0.906 -10.912 -4.501 1.00 0.00 N ATOM 601 CA CYS A 35 1.297 -9.572 -4.926 1.00 0.00 C ATOM 602 C CYS A 35 1.469 -9.510 -6.439 1.00 0.00 C ATOM 603 O CYS A 35 2.283 -10.236 -7.012 1.00 0.00 O ATOM 604 CB CYS A 35 2.594 -9.154 -4.233 1.00 0.00 C ATOM 605 SG CYS A 35 2.485 -9.102 -2.429 1.00 0.00 S ATOM 0 H CYS A 35 1.678 -11.575 -4.433 1.00 0.00 H new ATOM 0 HA CYS A 35 0.504 -8.881 -4.642 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.385 -9.847 -4.518 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.886 -8.169 -4.597 1.00 0.00 H new ATOM 0 HG CYS A 35 1.318 -8.648 -2.078 1.00 0.00 H new ATOM 611 N LYS A 36 0.700 -8.640 -7.083 1.00 0.00 N ATOM 612 CA LYS A 36 0.767 -8.483 -8.530 1.00 0.00 C ATOM 613 C LYS A 36 2.129 -7.947 -8.957 1.00 0.00 C ATOM 614 O LYS A 36 2.793 -8.526 -9.817 1.00 0.00 O ATOM 615 CB LYS A 36 -0.338 -7.539 -9.013 1.00 0.00 C ATOM 616 CG LYS A 36 -0.631 -7.655 -10.499 1.00 0.00 C ATOM 617 CD LYS A 36 -1.540 -8.836 -10.796 1.00 0.00 C ATOM 618 CE LYS A 36 -2.994 -8.510 -10.494 1.00 0.00 C ATOM 619 NZ LYS A 36 -3.566 -7.556 -11.485 1.00 0.00 N ATOM 0 H LYS A 36 0.022 -8.032 -6.624 1.00 0.00 H new ATOM 0 HA LYS A 36 0.624 -9.464 -8.983 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.251 -7.746 -8.454 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.051 -6.512 -8.787 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.099 -6.736 -10.852 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.304 -7.767 -11.048 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.440 -9.119 -11.844 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.228 -9.695 -10.202 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.580 -9.429 -10.495 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.070 -8.084 -9.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.604 -7.578 -11.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.228 -6.595 -11.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.265 -7.828 -12.443 1.00 0.00 H new ATOM 633 N SER A 37 2.542 -6.839 -8.349 1.00 0.00 N ATOM 634 CA SER A 37 3.825 -6.224 -8.668 1.00 0.00 C ATOM 635 C SER A 37 4.236 -5.232 -7.585 1.00 0.00 C ATOM 636 O SER A 37 3.392 -4.565 -6.986 1.00 0.00 O ATOM 637 CB SER A 37 3.754 -5.518 -10.023 1.00 0.00 C ATOM 638 OG SER A 37 5.024 -5.490 -10.651 1.00 0.00 O ATOM 0 H SER A 37 2.006 -6.349 -7.633 1.00 0.00 H new ATOM 0 HA SER A 37 4.576 -7.013 -8.717 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.038 -6.030 -10.666 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.389 -4.500 -9.887 1.00 0.00 H new ATOM 0 HG SER A 37 4.951 -5.035 -11.516 1.00 0.00 H new ATOM 644 N CYS A 38 5.539 -5.139 -7.339 1.00 0.00 N ATOM 645 CA CYS A 38 6.063 -4.227 -6.328 1.00 0.00 C ATOM 646 C CYS A 38 7.157 -3.339 -6.912 1.00 0.00 C ATOM 647 O CYS A 38 8.088 -3.824 -7.554 1.00 0.00 O ATOM 648 CB CYS A 38 6.610 -5.016 -5.137 1.00 0.00 C ATOM 649 SG CYS A 38 7.642 -4.040 -4.017 1.00 0.00 S ATOM 0 H CYS A 38 6.251 -5.684 -7.826 1.00 0.00 H new ATOM 0 HA CYS A 38 5.246 -3.590 -5.989 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.774 -5.431 -4.575 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.193 -5.858 -5.510 1.00 0.00 H new ATOM 0 HG CYS A 38 8.056 -4.793 -3.041 1.00 0.00 H new ATOM 655 N LYS A 39 7.037 -2.036 -6.684 1.00 0.00 N ATOM 656 CA LYS A 39 8.015 -1.078 -7.187 1.00 0.00 C ATOM 657 C LYS A 39 8.610 -0.259 -6.046 1.00 0.00 C ATOM 658 O LYS A 39 7.931 0.574 -5.448 1.00 0.00 O ATOM 659 CB LYS A 39 7.365 -0.146 -8.213 1.00 0.00 C ATOM 660 CG LYS A 39 8.366 0.674 -9.008 1.00 0.00 C ATOM 661 CD LYS A 39 7.712 1.342 -10.207 1.00 0.00 C ATOM 662 CE LYS A 39 8.724 2.126 -11.029 1.00 0.00 C ATOM 663 NZ LYS A 39 8.063 3.113 -11.927 1.00 0.00 N ATOM 0 H LYS A 39 6.272 -1.619 -6.154 1.00 0.00 H new ATOM 0 HA LYS A 39 8.818 -1.635 -7.669 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.765 -0.740 -8.902 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.683 0.529 -7.697 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.809 1.434 -8.364 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.178 0.030 -9.347 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.240 0.585 -10.834 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.922 2.011 -9.866 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.410 2.646 -10.361 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.321 1.436 -11.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.786 3.627 -12.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.427 2.615 -12.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.514 3.788 -11.357 1.00 0.00 H new ATOM 677 N MET A 40 9.883 -0.501 -5.752 1.00 0.00 N ATOM 678 CA MET A 40 10.571 0.216 -4.685 1.00 0.00 C ATOM 679 C MET A 40 11.265 1.461 -5.227 1.00 0.00 C ATOM 680 O MET A 40 12.160 1.369 -6.068 1.00 0.00 O ATOM 681 CB MET A 40 11.593 -0.696 -4.004 1.00 0.00 C ATOM 682 CG MET A 40 12.416 0.005 -2.935 1.00 0.00 C ATOM 683 SD MET A 40 13.484 -1.129 -2.027 1.00 0.00 S ATOM 684 CE MET A 40 12.430 -1.551 -0.642 1.00 0.00 C ATOM 0 H MET A 40 10.459 -1.188 -6.238 1.00 0.00 H new ATOM 0 HA MET A 40 9.827 0.526 -3.951 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.071 -1.540 -3.554 1.00 0.00 H new ATOM 0 HB3 MET A 40 12.265 -1.103 -4.760 1.00 0.00 H new ATOM 0 HG2 MET A 40 13.026 0.779 -3.401 1.00 0.00 H new ATOM 0 HG3 MET A 40 11.746 0.505 -2.236 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.858 -1.149 0.276 1.00 0.00 H new ATOM 0 HE2 MET A 40 11.438 -1.126 -0.797 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.352 -2.635 -0.561 1.00 0.00 H new ATOM 694 N ILE A 41 10.847 2.625 -4.740 1.00 0.00 N ATOM 695 CA ILE A 41 11.430 3.889 -5.175 1.00 0.00 C ATOM 696 C ILE A 41 12.284 4.509 -4.074 1.00 0.00 C ATOM 697 O ILE A 41 11.802 4.771 -2.972 1.00 0.00 O ATOM 698 CB ILE A 41 10.343 4.896 -5.595 1.00 0.00 C ATOM 699 CG1 ILE A 41 9.332 4.228 -6.529 1.00 0.00 C ATOM 700 CG2 ILE A 41 10.973 6.107 -6.265 1.00 0.00 C ATOM 701 CD1 ILE A 41 8.330 5.193 -7.123 1.00 0.00 C ATOM 0 H ILE A 41 10.107 2.719 -4.044 1.00 0.00 H new ATOM 0 HA ILE A 41 12.059 3.666 -6.037 1.00 0.00 H new ATOM 0 HB ILE A 41 9.816 5.233 -4.702 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.869 3.731 -7.337 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.797 3.454 -5.979 1.00 0.00 H new ATOM 0 HG21 ILE A 41 10.192 6.809 -6.556 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.657 6.593 -5.569 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.522 5.788 -7.151 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.645 4.651 -7.774 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.767 5.672 -6.322 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.855 5.953 -7.701 1.00 0.00 H new ATOM 810 N PRO A 49 12.944 5.910 2.116 1.00 0.00 N ATOM 811 CA PRO A 49 12.429 5.428 0.832 1.00 0.00 C ATOM 812 C PRO A 49 11.005 4.895 0.941 1.00 0.00 C ATOM 813 O PRO A 49 10.439 4.828 2.033 1.00 0.00 O ATOM 814 CB PRO A 49 13.396 4.300 0.462 1.00 0.00 C ATOM 815 CG PRO A 49 13.941 3.827 1.765 1.00 0.00 C ATOM 816 CD PRO A 49 14.005 5.041 2.652 1.00 0.00 C ATOM 0 HA PRO A 49 12.378 6.224 0.089 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.884 3.497 -0.068 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.190 4.658 -0.193 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.301 3.059 2.200 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.929 3.384 1.637 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.826 4.786 3.696 1.00 0.00 H new ATOM 0 HD3 PRO A 49 14.982 5.523 2.604 1.00 0.00 H new ATOM 824 N TYR A 50 10.430 4.515 -0.195 1.00 0.00 N ATOM 825 CA TYR A 50 9.071 3.988 -0.226 1.00 0.00 C ATOM 826 C TYR A 50 8.875 3.056 -1.417 1.00 0.00 C ATOM 827 O TYR A 50 9.560 3.177 -2.434 1.00 0.00 O ATOM 828 CB TYR A 50 8.060 5.135 -0.288 1.00 0.00 C ATOM 829 CG TYR A 50 8.075 5.884 -1.602 1.00 0.00 C ATOM 830 CD1 TYR A 50 8.934 6.959 -1.799 1.00 0.00 C ATOM 831 CD2 TYR A 50 7.231 5.520 -2.642 1.00 0.00 C ATOM 832 CE1 TYR A 50 8.951 7.648 -2.998 1.00 0.00 C ATOM 833 CE2 TYR A 50 7.242 6.202 -3.844 1.00 0.00 C ATOM 834 CZ TYR A 50 8.103 7.265 -4.016 1.00 0.00 C ATOM 835 OH TYR A 50 8.117 7.948 -5.211 1.00 0.00 O ATOM 0 H TYR A 50 10.885 4.562 -1.107 1.00 0.00 H new ATOM 0 HA TYR A 50 8.908 3.417 0.688 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.060 4.736 -0.118 1.00 0.00 H new ATOM 0 HB3 TYR A 50 8.266 5.835 0.522 1.00 0.00 H new ATOM 0 HD1 TYR A 50 9.599 7.261 -1.003 1.00 0.00 H new ATOM 0 HD2 TYR A 50 6.554 4.689 -2.510 1.00 0.00 H new ATOM 0 HE1 TYR A 50 9.624 8.481 -3.136 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.580 5.904 -4.644 1.00 0.00 H new ATOM 0 HH TYR A 50 9.015 8.306 -5.372 1.00 0.00 H new ATOM 845 N CYS A 51 7.934 2.128 -1.284 1.00 0.00 N ATOM 846 CA CYS A 51 7.646 1.174 -2.349 1.00 0.00 C ATOM 847 C CYS A 51 6.145 0.944 -2.482 1.00 0.00 C ATOM 848 O CYS A 51 5.391 1.128 -1.525 1.00 0.00 O ATOM 849 CB CYS A 51 8.356 -0.154 -2.079 1.00 0.00 C ATOM 850 SG CYS A 51 7.549 -1.180 -0.827 1.00 0.00 S ATOM 0 H CYS A 51 7.358 2.016 -0.450 1.00 0.00 H new ATOM 0 HA CYS A 51 8.015 1.591 -3.286 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.418 -0.717 -3.010 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.379 0.051 -1.762 1.00 0.00 H new ATOM 0 HG CYS A 51 6.842 -2.102 -1.411 1.00 0.00 H new ATOM 856 N PHE A 52 5.716 0.541 -3.674 1.00 0.00 N ATOM 857 CA PHE A 52 4.303 0.289 -3.932 1.00 0.00 C ATOM 858 C PHE A 52 4.024 -1.209 -4.012 1.00 0.00 C ATOM 859 O PHE A 52 4.800 -1.967 -4.593 1.00 0.00 O ATOM 860 CB PHE A 52 3.871 0.969 -5.234 1.00 0.00 C ATOM 861 CG PHE A 52 3.957 2.468 -5.183 1.00 0.00 C ATOM 862 CD1 PHE A 52 3.148 3.193 -4.323 1.00 0.00 C ATOM 863 CD2 PHE A 52 4.848 3.152 -5.995 1.00 0.00 C ATOM 864 CE1 PHE A 52 3.224 4.572 -4.276 1.00 0.00 C ATOM 865 CE2 PHE A 52 4.928 4.531 -5.952 1.00 0.00 C ATOM 866 CZ PHE A 52 4.117 5.242 -5.090 1.00 0.00 C ATOM 0 H PHE A 52 6.326 0.382 -4.476 1.00 0.00 H new ATOM 0 HA PHE A 52 3.728 0.705 -3.104 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.495 0.605 -6.050 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.846 0.679 -5.463 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.450 2.675 -3.682 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.487 2.601 -6.669 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.586 5.126 -3.603 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.624 5.052 -6.592 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.181 6.319 -5.052 1.00 0.00 H new ATOM 876 N VAL A 53 2.908 -1.629 -3.423 1.00 0.00 N ATOM 877 CA VAL A 53 2.525 -3.036 -3.426 1.00 0.00 C ATOM 878 C VAL A 53 1.102 -3.215 -3.941 1.00 0.00 C ATOM 879 O VAL A 53 0.143 -2.775 -3.308 1.00 0.00 O ATOM 880 CB VAL A 53 2.632 -3.651 -2.018 1.00 0.00 C ATOM 881 CG1 VAL A 53 2.207 -5.111 -2.039 1.00 0.00 C ATOM 882 CG2 VAL A 53 4.048 -3.507 -1.481 1.00 0.00 C ATOM 0 H VAL A 53 2.254 -1.015 -2.938 1.00 0.00 H new ATOM 0 HA VAL A 53 3.217 -3.552 -4.091 1.00 0.00 H new ATOM 0 HB VAL A 53 1.958 -3.111 -1.352 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.289 -5.528 -1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.174 -5.184 -2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.853 -5.668 -2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.106 -3.947 -0.485 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.743 -4.020 -2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.311 -2.451 -1.427 1.00 0.00 H new ATOM 892 N GLU A 54 0.972 -3.867 -5.093 1.00 0.00 N ATOM 893 CA GLU A 54 -0.336 -4.105 -5.693 1.00 0.00 C ATOM 894 C GLU A 54 -0.750 -5.564 -5.533 1.00 0.00 C ATOM 895 O GLU A 54 0.052 -6.475 -5.742 1.00 0.00 O ATOM 896 CB GLU A 54 -0.318 -3.727 -7.176 1.00 0.00 C ATOM 897 CG GLU A 54 -1.697 -3.694 -7.812 1.00 0.00 C ATOM 898 CD GLU A 54 -1.675 -3.143 -9.224 1.00 0.00 C ATOM 899 OE1 GLU A 54 -1.627 -1.905 -9.379 1.00 0.00 O ATOM 900 OE2 GLU A 54 -1.706 -3.951 -10.176 1.00 0.00 O ATOM 0 H GLU A 54 1.756 -4.239 -5.629 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.064 -3.480 -5.176 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.148 -2.748 -7.287 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.305 -4.439 -7.716 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.111 -4.702 -7.826 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.361 -3.085 -7.199 1.00 0.00 H new ATOM 907 N PHE A 55 -2.007 -5.780 -5.161 1.00 0.00 N ATOM 908 CA PHE A 55 -2.529 -7.128 -4.972 1.00 0.00 C ATOM 909 C PHE A 55 -3.494 -7.501 -6.093 1.00 0.00 C ATOM 910 O PHE A 55 -3.961 -6.638 -6.836 1.00 0.00 O ATOM 911 CB PHE A 55 -3.235 -7.238 -3.618 1.00 0.00 C ATOM 912 CG PHE A 55 -2.295 -7.476 -2.470 1.00 0.00 C ATOM 913 CD1 PHE A 55 -1.629 -6.419 -1.872 1.00 0.00 C ATOM 914 CD2 PHE A 55 -2.080 -8.758 -1.988 1.00 0.00 C ATOM 915 CE1 PHE A 55 -0.764 -6.635 -0.816 1.00 0.00 C ATOM 916 CE2 PHE A 55 -1.215 -8.981 -0.932 1.00 0.00 C ATOM 917 CZ PHE A 55 -0.558 -7.917 -0.345 1.00 0.00 C ATOM 0 H PHE A 55 -2.684 -5.038 -4.984 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.689 -7.822 -4.995 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.796 -6.322 -3.434 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.959 -8.052 -3.660 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.787 -5.414 -2.235 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.594 -9.592 -2.442 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.250 -5.802 -0.360 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.054 -9.985 -0.567 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.116 -8.087 0.481 1.00 0.00 H new ATOM 927 N TYR A 56 -3.788 -8.791 -6.208 1.00 0.00 N ATOM 928 CA TYR A 56 -4.694 -9.280 -7.239 1.00 0.00 C ATOM 929 C TYR A 56 -6.140 -8.927 -6.906 1.00 0.00 C ATOM 930 O TYR A 56 -6.917 -8.554 -7.784 1.00 0.00 O ATOM 931 CB TYR A 56 -4.550 -10.794 -7.399 1.00 0.00 C ATOM 932 CG TYR A 56 -3.297 -11.209 -8.135 1.00 0.00 C ATOM 933 CD1 TYR A 56 -2.058 -11.183 -7.509 1.00 0.00 C ATOM 934 CD2 TYR A 56 -3.352 -11.630 -9.459 1.00 0.00 C ATOM 935 CE1 TYR A 56 -0.910 -11.561 -8.179 1.00 0.00 C ATOM 936 CE2 TYR A 56 -2.210 -12.011 -10.137 1.00 0.00 C ATOM 937 CZ TYR A 56 -0.992 -11.974 -9.492 1.00 0.00 C ATOM 938 OH TYR A 56 0.149 -12.353 -10.162 1.00 0.00 O ATOM 0 H TYR A 56 -3.411 -9.517 -5.599 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.428 -8.796 -8.179 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.552 -11.257 -6.412 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.419 -11.179 -7.933 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.990 -10.862 -6.480 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.305 -11.660 -9.967 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.046 -11.533 -7.677 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.271 -12.336 -11.165 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.082 -12.617 -11.077 1.00 0.00 H new ATOM 948 N GLU A 57 -6.492 -9.047 -5.630 1.00 0.00 N ATOM 949 CA GLU A 57 -7.845 -8.742 -5.179 1.00 0.00 C ATOM 950 C GLU A 57 -7.837 -7.595 -4.171 1.00 0.00 C ATOM 951 O GLU A 57 -6.799 -7.270 -3.594 1.00 0.00 O ATOM 952 CB GLU A 57 -8.490 -9.980 -4.555 1.00 0.00 C ATOM 953 CG GLU A 57 -8.446 -11.207 -5.450 1.00 0.00 C ATOM 954 CD GLU A 57 -9.645 -11.299 -6.373 1.00 0.00 C ATOM 955 OE1 GLU A 57 -9.638 -10.623 -7.423 1.00 0.00 O ATOM 956 OE2 GLU A 57 -10.590 -12.047 -6.047 1.00 0.00 O ATOM 0 H GLU A 57 -5.860 -9.353 -4.891 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.429 -8.436 -6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.986 -10.208 -3.616 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.529 -9.755 -4.313 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.534 -11.184 -6.046 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.400 -12.103 -4.830 1.00 0.00 H new ATOM 963 N HIS A 58 -9.001 -6.988 -3.966 1.00 0.00 N ATOM 964 CA HIS A 58 -9.129 -5.878 -3.028 1.00 0.00 C ATOM 965 C HIS A 58 -9.075 -6.376 -1.586 1.00 0.00 C ATOM 966 O HIS A 58 -8.539 -5.702 -0.707 1.00 0.00 O ATOM 967 CB HIS A 58 -10.436 -5.125 -3.272 1.00 0.00 C ATOM 968 CG HIS A 58 -10.810 -4.197 -2.157 1.00 0.00 C ATOM 969 ND1 HIS A 58 -10.098 -3.054 -1.859 1.00 0.00 N ATOM 970 CD2 HIS A 58 -11.829 -4.246 -1.267 1.00 0.00 C ATOM 971 CE1 HIS A 58 -10.662 -2.442 -0.832 1.00 0.00 C ATOM 972 NE2 HIS A 58 -11.715 -3.145 -0.455 1.00 0.00 N ATOM 0 H HIS A 58 -9.869 -7.245 -4.436 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.292 -5.199 -3.190 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.349 -4.553 -4.196 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -11.240 -5.847 -3.418 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -9.266 -2.731 -2.354 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.590 -5.010 -1.207 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -10.320 -1.523 -0.378 1.00 0.00 H new ATOM 980 N ARG A 59 -9.635 -7.558 -1.353 1.00 0.00 N ATOM 981 CA ARG A 59 -9.653 -8.145 -0.019 1.00 0.00 C ATOM 982 C ARG A 59 -8.234 -8.338 0.510 1.00 0.00 C ATOM 983 O ARG A 59 -7.960 -8.092 1.684 1.00 0.00 O ATOM 984 CB ARG A 59 -10.389 -9.486 -0.037 1.00 0.00 C ATOM 985 CG ARG A 59 -9.766 -10.510 -0.971 1.00 0.00 C ATOM 986 CD ARG A 59 -10.667 -11.720 -1.153 1.00 0.00 C ATOM 987 NE ARG A 59 -9.931 -12.882 -1.643 1.00 0.00 N ATOM 988 CZ ARG A 59 -10.359 -14.133 -1.510 1.00 0.00 C ATOM 989 NH1 ARG A 59 -11.512 -14.381 -0.906 1.00 0.00 N ATOM 990 NH2 ARG A 59 -9.632 -15.138 -1.981 1.00 0.00 N ATOM 0 H ARG A 59 -10.082 -8.128 -2.071 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.180 -7.459 0.644 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.409 -9.893 0.974 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.424 -9.319 -0.334 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.573 -10.050 -1.940 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.803 -10.829 -0.572 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -11.141 -11.965 -0.202 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -11.466 -11.475 -1.853 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.040 -12.725 -2.113 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.073 -13.611 -0.542 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.839 -15.342 -0.805 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.744 -14.951 -2.446 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.962 -16.098 -1.878 1.00 0.00 H new ATOM 1004 N ASP A 60 -7.339 -8.781 -0.365 1.00 0.00 N ATOM 1005 CA ASP A 60 -5.949 -9.007 0.013 1.00 0.00 C ATOM 1006 C ASP A 60 -5.251 -7.688 0.332 1.00 0.00 C ATOM 1007 O ASP A 60 -4.549 -7.574 1.336 1.00 0.00 O ATOM 1008 CB ASP A 60 -5.205 -9.732 -1.110 1.00 0.00 C ATOM 1009 CG ASP A 60 -5.904 -11.008 -1.538 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -6.722 -11.528 -0.751 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -5.632 -11.487 -2.659 1.00 0.00 O ATOM 0 H ASP A 60 -7.551 -8.991 -1.341 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.938 -9.629 0.908 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.111 -9.067 -1.968 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.194 -9.969 -0.778 1.00 0.00 H new ATOM 1016 N ALA A 61 -5.449 -6.696 -0.529 1.00 0.00 N ATOM 1017 CA ALA A 61 -4.839 -5.386 -0.338 1.00 0.00 C ATOM 1018 C ALA A 61 -5.234 -4.788 1.008 1.00 0.00 C ATOM 1019 O ALA A 61 -4.398 -4.234 1.722 1.00 0.00 O ATOM 1020 CB ALA A 61 -5.236 -4.449 -1.470 1.00 0.00 C ATOM 0 H ALA A 61 -6.027 -6.774 -1.366 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.756 -5.512 -0.347 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.773 -3.474 -1.315 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.899 -4.863 -2.420 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.320 -4.338 -1.487 1.00 0.00 H new ATOM 1026 N ALA A 62 -6.514 -4.902 1.348 1.00 0.00 N ATOM 1027 CA ALA A 62 -7.019 -4.374 2.610 1.00 0.00 C ATOM 1028 C ALA A 62 -6.472 -5.163 3.794 1.00 0.00 C ATOM 1029 O ALA A 62 -6.098 -4.588 4.816 1.00 0.00 O ATOM 1030 CB ALA A 62 -8.541 -4.394 2.618 1.00 0.00 C ATOM 0 H ALA A 62 -7.220 -5.355 0.768 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.679 -3.343 2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.905 -3.997 3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.917 -3.781 1.799 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.892 -5.419 2.495 1.00 0.00 H new ATOM 1036 N ALA A 63 -6.427 -6.484 3.650 1.00 0.00 N ATOM 1037 CA ALA A 63 -5.924 -7.351 4.707 1.00 0.00 C ATOM 1038 C ALA A 63 -4.443 -7.097 4.968 1.00 0.00 C ATOM 1039 O ALA A 63 -4.013 -7.004 6.116 1.00 0.00 O ATOM 1040 CB ALA A 63 -6.156 -8.811 4.346 1.00 0.00 C ATOM 0 H ALA A 63 -6.733 -6.976 2.811 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.471 -7.123 5.622 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.775 -9.448 5.144 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.224 -8.989 4.218 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.635 -9.043 3.417 1.00 0.00 H new ATOM 1046 N ALA A 64 -3.669 -6.987 3.893 1.00 0.00 N ATOM 1047 CA ALA A 64 -2.236 -6.742 4.006 1.00 0.00 C ATOM 1048 C ALA A 64 -1.957 -5.314 4.460 1.00 0.00 C ATOM 1049 O ALA A 64 -0.994 -5.058 5.183 1.00 0.00 O ATOM 1050 CB ALA A 64 -1.546 -7.021 2.678 1.00 0.00 C ATOM 0 H ALA A 64 -4.010 -7.064 2.935 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.835 -7.419 4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.477 -6.834 2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.708 -8.061 2.395 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.959 -6.368 1.909 1.00 0.00 H new ATOM 1056 N LEU A 65 -2.804 -4.385 4.029 1.00 0.00 N ATOM 1057 CA LEU A 65 -2.649 -2.981 4.391 1.00 0.00 C ATOM 1058 C LEU A 65 -2.716 -2.797 5.904 1.00 0.00 C ATOM 1059 O LEU A 65 -1.842 -2.171 6.503 1.00 0.00 O ATOM 1060 CB LEU A 65 -3.731 -2.137 3.715 1.00 0.00 C ATOM 1061 CG LEU A 65 -4.003 -0.768 4.341 1.00 0.00 C ATOM 1062 CD1 LEU A 65 -2.955 0.240 3.894 1.00 0.00 C ATOM 1063 CD2 LEU A 65 -5.399 -0.285 3.979 1.00 0.00 C ATOM 0 H LEU A 65 -3.605 -4.579 3.428 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.670 -2.649 4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.449 -1.988 2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.661 -2.706 3.716 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.944 -0.866 5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.164 1.208 4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.967 -0.101 4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.982 0.336 2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.576 0.690 4.433 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.486 -0.202 2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.137 -0.996 4.349 1.00 0.00 H new ATOM 1075 N ALA A 66 -3.758 -3.350 6.516 1.00 0.00 N ATOM 1076 CA ALA A 66 -3.937 -3.251 7.960 1.00 0.00 C ATOM 1077 C ALA A 66 -2.868 -4.047 8.701 1.00 0.00 C ATOM 1078 O ALA A 66 -2.326 -3.590 9.707 1.00 0.00 O ATOM 1079 CB ALA A 66 -5.325 -3.733 8.354 1.00 0.00 C ATOM 0 H ALA A 66 -4.491 -3.871 6.035 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.835 -2.203 8.243 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.445 -3.654 9.434 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -6.077 -3.119 7.859 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.449 -4.773 8.051 1.00 0.00 H new ATOM 1085 N ALA A 67 -2.570 -5.241 8.198 1.00 0.00 N ATOM 1086 CA ALA A 67 -1.565 -6.099 8.812 1.00 0.00 C ATOM 1087 C ALA A 67 -0.169 -5.501 8.669 1.00 0.00 C ATOM 1088 O ALA A 67 0.686 -5.683 9.534 1.00 0.00 O ATOM 1089 CB ALA A 67 -1.611 -7.490 8.196 1.00 0.00 C ATOM 0 H ALA A 67 -3.011 -5.635 7.367 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.791 -6.176 9.876 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.855 -8.120 8.664 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.597 -7.926 8.356 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.414 -7.421 7.126 1.00 0.00 H new ATOM 1095 N MET A 68 0.053 -4.787 7.569 1.00 0.00 N ATOM 1096 CA MET A 68 1.344 -4.161 7.313 1.00 0.00 C ATOM 1097 C MET A 68 1.334 -2.697 7.740 1.00 0.00 C ATOM 1098 O MET A 68 2.383 -2.062 7.837 1.00 0.00 O ATOM 1099 CB MET A 68 1.703 -4.270 5.830 1.00 0.00 C ATOM 1100 CG MET A 68 1.841 -5.703 5.341 1.00 0.00 C ATOM 1101 SD MET A 68 3.041 -6.649 6.298 1.00 0.00 S ATOM 1102 CE MET A 68 4.577 -6.089 5.565 1.00 0.00 C ATOM 0 H MET A 68 -0.645 -4.628 6.842 1.00 0.00 H new ATOM 0 HA MET A 68 2.097 -4.686 7.901 1.00 0.00 H new ATOM 0 HB2 MET A 68 0.936 -3.766 5.241 1.00 0.00 H new ATOM 0 HB3 MET A 68 2.640 -3.742 5.652 1.00 0.00 H new ATOM 0 HG2 MET A 68 0.870 -6.196 5.393 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.140 -5.698 4.293 1.00 0.00 H new ATOM 0 HE1 MET A 68 5.396 -6.257 6.264 1.00 0.00 H new ATOM 0 HE2 MET A 68 4.765 -6.644 4.646 1.00 0.00 H new ATOM 0 HE3 MET A 68 4.505 -5.025 5.338 1.00 0.00 H new ATOM 1112 N ASN A 69 0.142 -2.167 7.994 1.00 0.00 N ATOM 1113 CA ASN A 69 -0.005 -0.778 8.409 1.00 0.00 C ATOM 1114 C ASN A 69 0.793 -0.502 9.680 1.00 0.00 C ATOM 1115 O ASN A 69 0.410 -0.924 10.770 1.00 0.00 O ATOM 1116 CB ASN A 69 -1.481 -0.445 8.639 1.00 0.00 C ATOM 1117 CG ASN A 69 -1.668 0.760 9.540 1.00 0.00 C ATOM 1118 OD1 ASN A 69 -1.614 0.648 10.765 1.00 0.00 O ATOM 1119 ND2 ASN A 69 -1.891 1.921 8.937 1.00 0.00 N ATOM 0 H ASN A 69 -0.737 -2.680 7.919 1.00 0.00 H new ATOM 0 HA ASN A 69 0.384 -0.145 7.612 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.962 -0.256 7.679 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.981 -1.307 9.081 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.026 2.766 9.492 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.928 1.968 7.919 1.00 0.00 H new ATOM 1126 N GLY A 70 1.907 0.207 9.531 1.00 0.00 N ATOM 1127 CA GLY A 70 2.742 0.527 10.674 1.00 0.00 C ATOM 1128 C GLY A 70 3.391 -0.701 11.281 1.00 0.00 C ATOM 1129 O GLY A 70 3.516 -0.808 12.500 1.00 0.00 O ATOM 0 H GLY A 70 2.247 0.566 8.639 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.517 1.230 10.368 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.139 1.027 11.432 1.00 0.00 H new ATOM 1133 N ARG A 71 3.803 -1.633 10.426 1.00 0.00 N ATOM 1134 CA ARG A 71 4.439 -2.862 10.885 1.00 0.00 C ATOM 1135 C ARG A 71 5.918 -2.631 11.179 1.00 0.00 C ATOM 1136 O ARG A 71 6.522 -1.684 10.677 1.00 0.00 O ATOM 1137 CB ARG A 71 4.282 -3.965 9.836 1.00 0.00 C ATOM 1138 CG ARG A 71 4.238 -5.365 10.427 1.00 0.00 C ATOM 1139 CD ARG A 71 4.786 -6.397 9.454 1.00 0.00 C ATOM 1140 NE ARG A 71 4.175 -7.709 9.647 1.00 0.00 N ATOM 1141 CZ ARG A 71 4.710 -8.842 9.205 1.00 0.00 C ATOM 1142 NH1 ARG A 71 5.863 -8.822 8.550 1.00 0.00 N ATOM 1143 NH2 ARG A 71 4.093 -9.997 9.419 1.00 0.00 N ATOM 0 H ARG A 71 3.708 -1.560 9.413 1.00 0.00 H new ATOM 0 HA ARG A 71 3.948 -3.174 11.807 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.367 -3.789 9.270 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.110 -3.904 9.130 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.817 -5.390 11.350 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.211 -5.619 10.688 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.609 -6.062 8.432 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.866 -6.478 9.581 1.00 0.00 H new ATOM 0 HE ARG A 71 3.288 -7.758 10.149 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.340 -7.936 8.385 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.272 -9.693 8.211 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.207 -10.016 9.923 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.505 -10.866 9.079 1.00 0.00 H new ATOM 1157 N LYS A 72 6.497 -3.504 11.998 1.00 0.00 N ATOM 1158 CA LYS A 72 7.905 -3.397 12.360 1.00 0.00 C ATOM 1159 C LYS A 72 8.765 -4.280 11.462 1.00 0.00 C ATOM 1160 O LYS A 72 8.666 -5.507 11.504 1.00 0.00 O ATOM 1161 CB LYS A 72 8.107 -3.790 13.825 1.00 0.00 C ATOM 1162 CG LYS A 72 7.988 -2.623 14.791 1.00 0.00 C ATOM 1163 CD LYS A 72 9.342 -1.997 15.078 1.00 0.00 C ATOM 1164 CE LYS A 72 9.900 -1.289 13.853 1.00 0.00 C ATOM 1165 NZ LYS A 72 10.719 -2.202 13.009 1.00 0.00 N ATOM 0 H LYS A 72 6.012 -4.294 12.423 1.00 0.00 H new ATOM 0 HA LYS A 72 8.213 -2.360 12.223 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.372 -4.549 14.093 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.091 -4.245 13.938 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.319 -1.870 14.373 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.539 -2.966 15.723 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.249 -1.286 15.899 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.040 -2.769 15.402 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.078 -0.887 13.261 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.510 -0.442 14.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.713 -1.865 12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.697 -2.218 13.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.321 -3.162 13.048 1.00 0.00 H new ATOM 1179 N ILE A 73 9.610 -3.649 10.654 1.00 0.00 N ATOM 1180 CA ILE A 73 10.489 -4.378 9.749 1.00 0.00 C ATOM 1181 C ILE A 73 11.907 -3.819 9.789 1.00 0.00 C ATOM 1182 O ILE A 73 12.135 -2.652 9.467 1.00 0.00 O ATOM 1183 CB ILE A 73 9.972 -4.329 8.299 1.00 0.00 C ATOM 1184 CG1 ILE A 73 8.583 -4.964 8.208 1.00 0.00 C ATOM 1185 CG2 ILE A 73 10.945 -5.033 7.365 1.00 0.00 C ATOM 1186 CD1 ILE A 73 7.866 -4.668 6.910 1.00 0.00 C ATOM 0 H ILE A 73 9.704 -2.634 10.608 1.00 0.00 H new ATOM 0 HA ILE A 73 10.499 -5.414 10.088 1.00 0.00 H new ATOM 0 HB ILE A 73 9.895 -3.286 7.992 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.678 -6.044 8.323 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.974 -4.607 9.039 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.565 -4.990 6.344 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.916 -4.540 7.412 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.052 -6.074 7.669 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.888 -5.150 6.916 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.739 -3.591 6.802 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.453 -5.050 6.075 1.00 0.00 H new ATOM 1198 N LEU A 74 12.858 -4.658 10.186 1.00 0.00 N ATOM 1199 CA LEU A 74 14.255 -4.248 10.268 1.00 0.00 C ATOM 1200 C LEU A 74 14.435 -3.124 11.284 1.00 0.00 C ATOM 1201 O LEU A 74 15.219 -2.201 11.072 1.00 0.00 O ATOM 1202 CB LEU A 74 14.755 -3.793 8.895 1.00 0.00 C ATOM 1203 CG LEU A 74 14.786 -4.865 7.804 1.00 0.00 C ATOM 1204 CD1 LEU A 74 15.138 -4.246 6.460 1.00 0.00 C ATOM 1205 CD2 LEU A 74 15.775 -5.963 8.163 1.00 0.00 C ATOM 0 H LEU A 74 12.687 -5.627 10.456 1.00 0.00 H new ATOM 0 HA LEU A 74 14.841 -5.107 10.596 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.123 -2.973 8.553 1.00 0.00 H new ATOM 0 HB3 LEU A 74 15.762 -3.392 9.011 1.00 0.00 H new ATOM 0 HG LEU A 74 13.794 -5.309 7.728 1.00 0.00 H new ATOM 0 HD11 LEU A 74 15.156 -5.022 5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 74 14.392 -3.496 6.198 1.00 0.00 H new ATOM 0 HD13 LEU A 74 16.119 -3.775 6.522 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.784 -6.717 7.376 1.00 0.00 H new ATOM 0 HD22 LEU A 74 16.772 -5.535 8.266 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.479 -6.425 9.105 1.00 0.00 H new ATOM 1217 N GLY A 75 13.705 -3.213 12.392 1.00 0.00 N ATOM 1218 CA GLY A 75 13.799 -2.200 13.426 1.00 0.00 C ATOM 1219 C GLY A 75 13.180 -0.881 13.004 1.00 0.00 C ATOM 1220 O GLY A 75 13.189 0.089 13.762 1.00 0.00 O ATOM 0 H GLY A 75 13.050 -3.969 12.591 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.303 -2.559 14.328 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.847 -2.041 13.680 1.00 0.00 H new ATOM 1224 N LYS A 76 12.644 -0.843 11.789 1.00 0.00 N ATOM 1225 CA LYS A 76 12.019 0.366 11.265 1.00 0.00 C ATOM 1226 C LYS A 76 10.539 0.132 10.976 1.00 0.00 C ATOM 1227 O LYS A 76 10.180 -0.775 10.227 1.00 0.00 O ATOM 1228 CB LYS A 76 12.732 0.822 9.991 1.00 0.00 C ATOM 1229 CG LYS A 76 12.378 2.238 9.570 1.00 0.00 C ATOM 1230 CD LYS A 76 13.425 2.821 8.635 1.00 0.00 C ATOM 1231 CE LYS A 76 14.520 3.541 9.405 1.00 0.00 C ATOM 1232 NZ LYS A 76 15.608 2.613 9.823 1.00 0.00 N ATOM 0 H LYS A 76 12.630 -1.636 11.148 1.00 0.00 H new ATOM 0 HA LYS A 76 12.105 1.146 12.021 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.809 0.756 10.144 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.483 0.138 9.180 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.407 2.239 9.076 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.287 2.869 10.454 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.864 2.023 8.036 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.949 3.515 7.942 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.938 4.334 8.785 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.091 4.017 10.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.495 3.145 9.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.356 2.168 10.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.734 1.877 9.099 1.00 0.00 H new ATOM 1246 N GLU A 77 9.686 0.957 11.577 1.00 0.00 N ATOM 1247 CA GLU A 77 8.246 0.838 11.381 1.00 0.00 C ATOM 1248 C GLU A 77 7.836 1.375 10.013 1.00 0.00 C ATOM 1249 O GLU A 77 8.053 2.547 9.703 1.00 0.00 O ATOM 1250 CB GLU A 77 7.496 1.591 12.482 1.00 0.00 C ATOM 1251 CG GLU A 77 6.142 0.989 12.818 1.00 0.00 C ATOM 1252 CD GLU A 77 5.287 1.913 13.664 1.00 0.00 C ATOM 1253 OE1 GLU A 77 5.137 3.093 13.286 1.00 0.00 O ATOM 1254 OE2 GLU A 77 4.769 1.455 14.705 1.00 0.00 O ATOM 0 H GLU A 77 9.967 1.713 12.202 1.00 0.00 H new ATOM 0 HA GLU A 77 7.985 -0.219 11.430 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.110 1.608 13.382 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.357 2.627 12.172 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.613 0.755 11.894 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.288 0.048 13.349 1.00 0.00 H new ATOM 1261 N VAL A 78 7.242 0.510 9.198 1.00 0.00 N ATOM 1262 CA VAL A 78 6.799 0.896 7.863 1.00 0.00 C ATOM 1263 C VAL A 78 5.335 1.320 7.870 1.00 0.00 C ATOM 1264 O VAL A 78 4.487 0.656 8.467 1.00 0.00 O ATOM 1265 CB VAL A 78 6.986 -0.255 6.856 1.00 0.00 C ATOM 1266 CG1 VAL A 78 8.315 -0.957 7.086 1.00 0.00 C ATOM 1267 CG2 VAL A 78 5.829 -1.239 6.953 1.00 0.00 C ATOM 0 H VAL A 78 7.056 -0.464 9.439 1.00 0.00 H new ATOM 0 HA VAL A 78 7.416 1.741 7.556 1.00 0.00 H new ATOM 0 HB VAL A 78 6.995 0.163 5.850 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.428 -1.767 6.365 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.130 -0.244 6.962 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.341 -1.365 8.097 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.976 -2.046 6.235 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.787 -1.653 7.961 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.894 -0.724 6.733 1.00 0.00 H new ATOM 1277 N LYS A 79 5.044 2.431 7.201 1.00 0.00 N ATOM 1278 CA LYS A 79 3.681 2.945 7.127 1.00 0.00 C ATOM 1279 C LYS A 79 3.014 2.531 5.819 1.00 0.00 C ATOM 1280 O LYS A 79 3.514 2.830 4.735 1.00 0.00 O ATOM 1281 CB LYS A 79 3.683 4.470 7.252 1.00 0.00 C ATOM 1282 CG LYS A 79 4.465 5.169 6.154 1.00 0.00 C ATOM 1283 CD LYS A 79 4.694 6.636 6.479 1.00 0.00 C ATOM 1284 CE LYS A 79 5.367 7.364 5.327 1.00 0.00 C ATOM 1285 NZ LYS A 79 4.373 7.935 4.376 1.00 0.00 N ATOM 0 H LYS A 79 5.734 2.993 6.702 1.00 0.00 H new ATOM 0 HA LYS A 79 3.112 2.520 7.954 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.654 4.829 7.238 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.104 4.746 8.219 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.425 4.672 6.017 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.925 5.084 5.211 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.740 7.113 6.704 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.311 6.719 7.374 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.995 8.164 5.720 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.024 6.675 4.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.603 7.630 3.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.421 7.601 4.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.400 8.973 4.428 1.00 0.00 H new ATOM 1299 N VAL A 80 1.882 1.843 5.930 1.00 0.00 N ATOM 1300 CA VAL A 80 1.145 1.391 4.756 1.00 0.00 C ATOM 1301 C VAL A 80 -0.241 2.023 4.701 1.00 0.00 C ATOM 1302 O VAL A 80 -0.992 1.986 5.675 1.00 0.00 O ATOM 1303 CB VAL A 80 0.998 -0.142 4.742 1.00 0.00 C ATOM 1304 CG1 VAL A 80 0.592 -0.627 3.358 1.00 0.00 C ATOM 1305 CG2 VAL A 80 2.292 -0.805 5.189 1.00 0.00 C ATOM 0 H VAL A 80 1.456 1.587 6.820 1.00 0.00 H new ATOM 0 HA VAL A 80 1.719 1.702 3.883 1.00 0.00 H new ATOM 0 HB VAL A 80 0.212 -0.421 5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.493 -1.712 3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.362 -0.178 3.080 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.353 -0.338 2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.170 -1.888 5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.099 -0.521 4.513 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.536 -0.482 6.201 1.00 0.00 H new ATOM 1315 N ASN A 81 -0.575 2.604 3.552 1.00 0.00 N ATOM 1316 CA ASN A 81 -1.872 3.245 3.369 1.00 0.00 C ATOM 1317 C ASN A 81 -2.391 3.026 1.951 1.00 0.00 C ATOM 1318 O ASN A 81 -1.646 2.612 1.064 1.00 0.00 O ATOM 1319 CB ASN A 81 -1.770 4.744 3.661 1.00 0.00 C ATOM 1320 CG ASN A 81 -3.106 5.352 4.039 1.00 0.00 C ATOM 1321 OD1 ASN A 81 -3.678 6.137 3.283 1.00 0.00 O ATOM 1322 ND2 ASN A 81 -3.609 4.991 5.213 1.00 0.00 N ATOM 0 H ASN A 81 0.034 2.644 2.735 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.575 2.793 4.069 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.058 4.906 4.471 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.376 5.256 2.783 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.505 5.368 5.521 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.099 4.337 5.807 1.00 0.00 H new ATOM 1329 N TRP A 82 -3.673 3.306 1.747 1.00 0.00 N ATOM 1330 CA TRP A 82 -4.293 3.140 0.437 1.00 0.00 C ATOM 1331 C TRP A 82 -3.711 4.127 -0.569 1.00 0.00 C ATOM 1332 O TRP A 82 -3.797 5.340 -0.383 1.00 0.00 O ATOM 1333 CB TRP A 82 -5.808 3.330 0.539 1.00 0.00 C ATOM 1334 CG TRP A 82 -6.503 2.197 1.232 1.00 0.00 C ATOM 1335 CD1 TRP A 82 -7.024 2.205 2.494 1.00 0.00 C ATOM 1336 CD2 TRP A 82 -6.750 0.891 0.701 1.00 0.00 C ATOM 1337 NE1 TRP A 82 -7.580 0.981 2.780 1.00 0.00 N ATOM 1338 CE2 TRP A 82 -7.428 0.158 1.696 1.00 0.00 C ATOM 1339 CE3 TRP A 82 -6.470 0.269 -0.519 1.00 0.00 C ATOM 1340 CZ2 TRP A 82 -7.823 -1.163 1.506 1.00 0.00 C ATOM 1341 CZ3 TRP A 82 -6.863 -1.042 -0.704 1.00 0.00 C ATOM 1342 CH2 TRP A 82 -7.535 -1.747 0.303 1.00 0.00 C ATOM 0 H TRP A 82 -4.304 3.649 2.472 1.00 0.00 H new ATOM 0 HA TRP A 82 -4.084 2.129 0.089 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -6.016 4.256 1.075 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -6.221 3.442 -0.463 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -7.002 3.049 3.168 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -8.033 0.727 3.658 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.955 0.804 -1.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.339 -1.708 2.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -6.648 -1.533 -1.642 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -7.831 -2.770 0.126 1.00 0.00 H new ATOM 1353 N ALA A 83 -3.121 3.598 -1.636 1.00 0.00 N ATOM 1354 CA ALA A 83 -2.526 4.433 -2.672 1.00 0.00 C ATOM 1355 C ALA A 83 -3.595 5.001 -3.600 1.00 0.00 C ATOM 1356 O ALA A 83 -3.653 6.208 -3.833 1.00 0.00 O ATOM 1357 CB ALA A 83 -1.502 3.639 -3.467 1.00 0.00 C ATOM 0 H ALA A 83 -3.042 2.595 -1.805 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.023 5.269 -2.186 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.066 4.276 -4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.716 3.287 -2.799 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.989 2.784 -3.936 1.00 0.00 H new