USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 585 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 14 THR OG1 : rot 34:sc= 0.777 USER MOD Single : A 16 THR OG1 : rot 180:sc= -4.5! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.409! C(o=-0.41!,f=-3.7!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.175 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -1.83 K(o=-1.8,f=-7!) USER MOD Single : A 65 SER OG : rot -170:sc= -4.57! USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc=-0.00213 K(o=-0.0021,f=-0.84) USER MOD Single : A 83 MET CE :methyl -146:sc= -8.3! (180deg=-10.5!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 85:sc= -2.79! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 82:sc= 1.05 USER MOD Single : A 91 THR OG1 : rot 180:sc= -1.86! USER MOD ----------------------------------------------------------------- ATOM 153 N GLU A 11 -5.137 -5.471 -7.713 1.00 0.00 N ATOM 154 CA GLU A 11 -4.609 -4.628 -8.771 1.00 0.00 C ATOM 155 C GLU A 11 -3.639 -3.595 -8.190 1.00 0.00 C ATOM 156 O GLU A 11 -3.348 -3.614 -6.995 1.00 0.00 O ATOM 157 CB GLU A 11 -5.740 -3.945 -9.544 1.00 0.00 C ATOM 158 CG GLU A 11 -5.688 -4.313 -11.029 1.00 0.00 C ATOM 159 CD GLU A 11 -7.072 -4.197 -11.668 1.00 0.00 C ATOM 160 OE1 GLU A 11 -7.491 -3.044 -11.911 1.00 0.00 O ATOM 161 OE2 GLU A 11 -7.679 -5.263 -11.903 1.00 0.00 O ATOM 0 HA GLU A 11 -4.063 -5.257 -9.473 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.702 -4.241 -9.126 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.662 -2.864 -9.430 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.988 -3.657 -11.546 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.314 -5.331 -11.143 1.00 0.00 H new ATOM 168 N ILE A 12 -3.168 -2.716 -9.063 1.00 0.00 N ATOM 169 CA ILE A 12 -2.239 -1.678 -8.652 1.00 0.00 C ATOM 170 C ILE A 12 -3.002 -0.368 -8.448 1.00 0.00 C ATOM 171 O ILE A 12 -3.629 0.140 -9.376 1.00 0.00 O ATOM 172 CB ILE A 12 -1.084 -1.568 -9.651 1.00 0.00 C ATOM 173 CG1 ILE A 12 0.090 -0.795 -9.045 1.00 0.00 C ATOM 174 CG2 ILE A 12 -1.557 -0.954 -10.970 1.00 0.00 C ATOM 175 CD1 ILE A 12 -0.346 0.601 -8.595 1.00 0.00 C ATOM 0 H ILE A 12 -3.413 -2.702 -10.053 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.781 -1.933 -7.696 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.727 -2.573 -9.875 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.492 -1.346 -8.195 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.892 -0.711 -9.779 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.717 -0.887 -11.662 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.336 -1.581 -11.404 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.955 0.044 -10.785 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.507 1.129 -8.168 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.725 1.158 -9.452 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.131 0.513 -7.844 1.00 0.00 H new ATOM 187 N ILE A 13 -2.924 0.140 -7.226 1.00 0.00 N ATOM 188 CA ILE A 13 -3.600 1.381 -6.888 1.00 0.00 C ATOM 189 C ILE A 13 -2.564 2.496 -6.737 1.00 0.00 C ATOM 190 O ILE A 13 -1.430 2.244 -6.332 1.00 0.00 O ATOM 191 CB ILE A 13 -4.484 1.191 -5.653 1.00 0.00 C ATOM 192 CG1 ILE A 13 -4.944 -0.263 -5.528 1.00 0.00 C ATOM 193 CG2 ILE A 13 -5.662 2.167 -5.666 1.00 0.00 C ATOM 194 CD1 ILE A 13 -6.099 -0.387 -4.533 1.00 0.00 C ATOM 0 H ILE A 13 -2.403 -0.285 -6.459 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.274 1.678 -7.691 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.889 1.418 -4.768 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.258 -0.634 -6.504 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.110 -0.886 -5.203 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.274 2.011 -4.778 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.287 3.190 -5.673 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.266 1.996 -6.557 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.408 -1.430 -4.462 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.774 -0.037 -3.553 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.939 0.218 -4.874 1.00 0.00 H new ATOM 206 N THR A 14 -2.991 3.707 -7.069 1.00 0.00 N ATOM 207 CA THR A 14 -2.114 4.862 -6.976 1.00 0.00 C ATOM 208 C THR A 14 -2.826 6.015 -6.269 1.00 0.00 C ATOM 209 O THR A 14 -3.804 6.555 -6.783 1.00 0.00 O ATOM 210 CB THR A 14 -1.642 5.213 -8.388 1.00 0.00 C ATOM 211 OG1 THR A 14 -2.849 5.465 -9.104 1.00 0.00 O ATOM 212 CG2 THR A 14 -1.021 4.017 -9.113 1.00 0.00 C ATOM 0 H THR A 14 -3.933 3.913 -7.403 1.00 0.00 H new ATOM 0 HA THR A 14 -1.235 4.644 -6.370 1.00 0.00 H new ATOM 0 HB THR A 14 -0.914 6.023 -8.337 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.508 5.871 -8.502 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.703 4.321 -10.110 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.159 3.658 -8.551 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.758 3.218 -9.195 1.00 0.00 H new ATOM 220 N VAL A 15 -2.309 6.359 -5.098 1.00 0.00 N ATOM 221 CA VAL A 15 -2.882 7.439 -4.314 1.00 0.00 C ATOM 222 C VAL A 15 -1.888 8.602 -4.250 1.00 0.00 C ATOM 223 O VAL A 15 -0.741 8.421 -3.846 1.00 0.00 O ATOM 224 CB VAL A 15 -3.289 6.924 -2.932 1.00 0.00 C ATOM 225 CG1 VAL A 15 -4.251 7.894 -2.247 1.00 0.00 C ATOM 226 CG2 VAL A 15 -3.895 5.524 -3.025 1.00 0.00 C ATOM 0 H VAL A 15 -1.499 5.908 -4.673 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.790 7.813 -4.787 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.389 6.858 -2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.524 7.504 -1.267 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.768 8.864 -2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.148 8.007 -2.856 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.175 5.182 -2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.779 5.552 -3.661 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.163 4.838 -3.451 1.00 0.00 H new ATOM 236 N THR A 16 -2.366 9.769 -4.656 1.00 0.00 N ATOM 237 CA THR A 16 -1.534 10.960 -4.651 1.00 0.00 C ATOM 238 C THR A 16 -1.876 11.845 -3.449 1.00 0.00 C ATOM 239 O THR A 16 -3.047 12.018 -3.115 1.00 0.00 O ATOM 240 CB THR A 16 -1.713 11.668 -5.995 1.00 0.00 C ATOM 241 OG1 THR A 16 -1.309 10.696 -6.956 1.00 0.00 O ATOM 242 CG2 THR A 16 -0.721 12.817 -6.190 1.00 0.00 C ATOM 0 H THR A 16 -3.318 9.915 -4.990 1.00 0.00 H new ATOM 0 HA THR A 16 -0.480 10.705 -4.539 1.00 0.00 H new ATOM 0 HB THR A 16 -2.731 12.051 -6.070 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.395 11.071 -7.857 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.892 13.285 -7.160 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.861 13.556 -5.401 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.297 12.430 -6.148 1.00 0.00 H new ATOM 250 N LEU A 17 -0.833 12.380 -2.834 1.00 0.00 N ATOM 251 CA LEU A 17 -1.008 13.240 -1.677 1.00 0.00 C ATOM 252 C LEU A 17 -1.791 14.490 -2.088 1.00 0.00 C ATOM 253 O LEU A 17 -1.254 15.369 -2.762 1.00 0.00 O ATOM 254 CB LEU A 17 0.344 13.549 -1.029 1.00 0.00 C ATOM 255 CG LEU A 17 0.888 12.485 -0.072 1.00 0.00 C ATOM 256 CD1 LEU A 17 1.432 13.125 1.207 1.00 0.00 C ATOM 257 CD2 LEU A 17 -0.173 11.422 0.225 1.00 0.00 C ATOM 0 H LEU A 17 0.137 12.235 -3.115 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.595 12.732 -0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.077 13.706 -1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.257 14.489 -0.484 1.00 0.00 H new ATOM 0 HG LEU A 17 1.722 11.981 -0.559 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.812 12.348 1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.239 13.813 0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.633 13.671 1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.238 10.678 0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.042 11.894 0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.472 10.937 -0.704 1.00 0.00 H new ATOM 269 N LYS A 18 -3.047 14.526 -1.668 1.00 0.00 N ATOM 270 CA LYS A 18 -3.908 15.653 -1.986 1.00 0.00 C ATOM 271 C LYS A 18 -3.809 16.696 -0.871 1.00 0.00 C ATOM 272 O LYS A 18 -3.587 17.876 -1.137 1.00 0.00 O ATOM 273 CB LYS A 18 -5.338 15.175 -2.256 1.00 0.00 C ATOM 274 CG LYS A 18 -6.257 16.353 -2.585 1.00 0.00 C ATOM 275 CD LYS A 18 -7.191 16.010 -3.746 1.00 0.00 C ATOM 276 CE LYS A 18 -8.201 17.132 -3.987 1.00 0.00 C ATOM 277 NZ LYS A 18 -8.445 17.309 -5.436 1.00 0.00 N ATOM 0 H LYS A 18 -3.489 13.794 -1.111 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.578 16.137 -2.905 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.338 14.467 -3.084 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.719 14.645 -1.383 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.845 16.617 -1.706 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.657 17.226 -2.841 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.606 15.842 -4.650 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.719 15.081 -3.530 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.138 16.901 -3.480 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.828 18.063 -3.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.133 18.075 -5.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.552 17.551 -5.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.821 16.425 -5.835 1.00 0.00 H new ATOM 291 N LYS A 19 -3.979 16.222 0.354 1.00 0.00 N ATOM 292 CA LYS A 19 -3.911 17.100 1.512 1.00 0.00 C ATOM 293 C LYS A 19 -2.454 17.235 1.958 1.00 0.00 C ATOM 294 O LYS A 19 -2.144 18.034 2.841 1.00 0.00 O ATOM 295 CB LYS A 19 -4.850 16.605 2.614 1.00 0.00 C ATOM 296 CG LYS A 19 -4.888 17.590 3.784 1.00 0.00 C ATOM 297 CD LYS A 19 -6.271 17.612 4.437 1.00 0.00 C ATOM 298 CE LYS A 19 -6.173 17.352 5.941 1.00 0.00 C ATOM 299 NZ LYS A 19 -7.320 17.964 6.650 1.00 0.00 N ATOM 0 H LYS A 19 -4.164 15.243 0.571 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.259 18.100 1.255 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.854 16.475 2.210 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.520 15.628 2.967 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.137 17.311 4.523 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.632 18.589 3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.744 18.578 4.262 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.907 16.857 3.975 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.152 16.279 6.130 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.239 17.762 6.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.237 17.778 7.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.322 18.991 6.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.207 17.554 6.294 1.00 0.00 H new ATOM 313 N GLN A 20 -1.600 16.441 1.330 1.00 0.00 N ATOM 314 CA GLN A 20 -0.182 16.462 1.653 1.00 0.00 C ATOM 315 C GLN A 20 0.021 16.291 3.159 1.00 0.00 C ATOM 316 O GLN A 20 0.873 16.951 3.752 1.00 0.00 O ATOM 317 CB GLN A 20 0.474 17.752 1.153 1.00 0.00 C ATOM 318 CG GLN A 20 1.248 17.505 -0.143 1.00 0.00 C ATOM 319 CD GLN A 20 1.766 18.821 -0.730 1.00 0.00 C ATOM 320 OE1 GLN A 20 1.090 19.502 -1.483 1.00 0.00 O ATOM 321 NE2 GLN A 20 2.998 19.136 -0.344 1.00 0.00 N ATOM 0 H GLN A 20 -1.861 15.779 0.599 1.00 0.00 H new ATOM 0 HA GLN A 20 0.300 15.627 1.145 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.290 18.512 0.986 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.149 18.141 1.916 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.085 16.834 0.051 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.603 17.008 -0.867 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.507 18.519 0.289 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.434 19.994 -0.681 1.00 0.00 H new ATOM 330 N ASN A 21 -0.775 15.402 3.734 1.00 0.00 N ATOM 331 CA ASN A 21 -0.693 15.135 5.160 1.00 0.00 C ATOM 332 C ASN A 21 0.251 13.954 5.400 1.00 0.00 C ATOM 333 O ASN A 21 -0.116 12.986 6.064 1.00 0.00 O ATOM 334 CB ASN A 21 -2.063 14.768 5.732 1.00 0.00 C ATOM 335 CG ASN A 21 -2.226 15.309 7.153 1.00 0.00 C ATOM 336 OD1 ASN A 21 -1.489 16.168 7.607 1.00 0.00 O ATOM 337 ND2 ASN A 21 -3.230 14.759 7.830 1.00 0.00 N ATOM 0 H ASN A 21 -1.480 14.857 3.238 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.327 16.037 5.651 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.848 15.172 5.093 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.181 13.684 5.736 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.420 15.052 8.788 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.810 14.044 7.391 1.00 0.00 H new ATOM 344 N GLY A 22 1.448 14.074 4.846 1.00 0.00 N ATOM 345 CA GLY A 22 2.447 13.028 4.992 1.00 0.00 C ATOM 346 C GLY A 22 2.026 11.759 4.248 1.00 0.00 C ATOM 347 O GLY A 22 2.735 11.292 3.358 1.00 0.00 O ATOM 0 H GLY A 22 1.749 14.878 4.296 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.405 13.379 4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.591 12.803 6.049 1.00 0.00 H new ATOM 351 N MET A 23 0.873 11.236 4.641 1.00 0.00 N ATOM 352 CA MET A 23 0.349 10.031 4.024 1.00 0.00 C ATOM 353 C MET A 23 -0.835 9.477 4.819 1.00 0.00 C ATOM 354 O MET A 23 -1.986 9.643 4.423 1.00 0.00 O ATOM 355 CB MET A 23 1.452 8.975 3.947 1.00 0.00 C ATOM 356 CG MET A 23 1.721 8.568 2.496 1.00 0.00 C ATOM 357 SD MET A 23 3.404 8.961 2.053 1.00 0.00 S ATOM 358 CE MET A 23 4.193 7.400 2.409 1.00 0.00 C ATOM 0 H MET A 23 0.288 11.626 5.380 1.00 0.00 H new ATOM 0 HA MET A 23 0.003 10.281 3.021 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.366 9.365 4.394 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.162 8.099 4.527 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.543 7.500 2.371 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.031 9.086 1.830 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.258 7.471 2.186 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.058 7.156 3.463 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.745 6.618 1.796 1.00 0.00 H new ATOM 368 N GLY A 24 -0.509 8.831 5.929 1.00 0.00 N ATOM 369 CA GLY A 24 -1.530 8.250 6.785 1.00 0.00 C ATOM 370 C GLY A 24 -1.845 6.814 6.366 1.00 0.00 C ATOM 371 O GLY A 24 -2.979 6.358 6.501 1.00 0.00 O ATOM 0 H GLY A 24 0.448 8.697 6.256 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.192 8.264 7.821 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.436 8.854 6.737 1.00 0.00 H new ATOM 375 N LEU A 25 -0.820 6.137 5.868 1.00 0.00 N ATOM 376 CA LEU A 25 -0.973 4.761 5.429 1.00 0.00 C ATOM 377 C LEU A 25 -0.254 3.834 6.413 1.00 0.00 C ATOM 378 O LEU A 25 0.711 4.237 7.060 1.00 0.00 O ATOM 379 CB LEU A 25 -0.502 4.604 3.983 1.00 0.00 C ATOM 380 CG LEU A 25 -1.576 4.782 2.905 1.00 0.00 C ATOM 381 CD1 LEU A 25 -1.233 3.977 1.651 1.00 0.00 C ATOM 382 CD2 LEU A 25 -2.962 4.432 3.451 1.00 0.00 C ATOM 0 H LEU A 25 0.120 6.517 5.759 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.025 4.476 5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.292 5.328 3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.063 3.613 3.870 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.600 5.833 2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.012 4.121 0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.277 4.316 1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.165 2.919 1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.707 4.567 2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.970 3.394 3.785 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.198 5.085 4.291 1.00 0.00 H new ATOM 394 N SER A 26 -0.754 2.610 6.494 1.00 0.00 N ATOM 395 CA SER A 26 -0.173 1.622 7.387 1.00 0.00 C ATOM 396 C SER A 26 -0.099 0.263 6.689 1.00 0.00 C ATOM 397 O SER A 26 -1.121 -0.386 6.475 1.00 0.00 O ATOM 398 CB SER A 26 -0.977 1.508 8.683 1.00 0.00 C ATOM 399 OG SER A 26 -0.137 1.349 9.823 1.00 0.00 O ATOM 0 H SER A 26 -1.555 2.280 5.956 1.00 0.00 H new ATOM 0 HA SER A 26 0.835 1.947 7.644 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.591 2.400 8.808 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.657 0.659 8.613 1.00 0.00 H new ATOM 0 HG SER A 26 -0.689 1.282 10.630 1.00 0.00 H new ATOM 405 N ILE A 27 1.123 -0.127 6.350 1.00 0.00 N ATOM 406 CA ILE A 27 1.344 -1.396 5.678 1.00 0.00 C ATOM 407 C ILE A 27 2.422 -2.182 6.428 1.00 0.00 C ATOM 408 O ILE A 27 3.074 -1.649 7.325 1.00 0.00 O ATOM 409 CB ILE A 27 1.663 -1.172 4.200 1.00 0.00 C ATOM 410 CG1 ILE A 27 3.168 -1.003 3.982 1.00 0.00 C ATOM 411 CG2 ILE A 27 0.867 0.009 3.640 1.00 0.00 C ATOM 412 CD1 ILE A 27 3.457 -0.362 2.623 1.00 0.00 C ATOM 0 H ILE A 27 1.969 0.414 6.529 1.00 0.00 H new ATOM 0 HA ILE A 27 0.437 -2.000 5.695 1.00 0.00 H new ATOM 0 HB ILE A 27 1.356 -2.059 3.647 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.587 -0.385 4.776 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.659 -1.974 4.042 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.113 0.147 2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.200 -0.191 3.741 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.120 0.913 4.193 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.534 -0.253 2.494 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.058 -0.995 1.830 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.985 0.619 2.576 1.00 0.00 H new ATOM 424 N VAL A 28 2.575 -3.438 6.033 1.00 0.00 N ATOM 425 CA VAL A 28 3.563 -4.303 6.655 1.00 0.00 C ATOM 426 C VAL A 28 4.030 -5.350 5.640 1.00 0.00 C ATOM 427 O VAL A 28 3.328 -5.639 4.673 1.00 0.00 O ATOM 428 CB VAL A 28 2.987 -4.923 7.929 1.00 0.00 C ATOM 429 CG1 VAL A 28 3.845 -6.095 8.406 1.00 0.00 C ATOM 430 CG2 VAL A 28 2.837 -3.870 9.031 1.00 0.00 C ATOM 0 H VAL A 28 2.031 -3.877 5.290 1.00 0.00 H new ATOM 0 HA VAL A 28 4.439 -3.728 6.956 1.00 0.00 H new ATOM 0 HB VAL A 28 1.995 -5.308 7.694 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.413 -6.517 9.313 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.879 -6.860 7.630 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.856 -5.745 8.615 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.426 -4.336 9.926 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.813 -3.442 9.261 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.166 -3.081 8.692 1.00 0.00 H new ATOM 440 N ALA A 29 5.213 -5.888 5.896 1.00 0.00 N ATOM 441 CA ALA A 29 5.784 -6.895 5.018 1.00 0.00 C ATOM 442 C ALA A 29 6.451 -7.981 5.862 1.00 0.00 C ATOM 443 O ALA A 29 7.191 -7.680 6.797 1.00 0.00 O ATOM 444 CB ALA A 29 6.758 -6.230 4.044 1.00 0.00 C ATOM 0 H ALA A 29 5.792 -5.645 6.700 1.00 0.00 H new ATOM 0 HA ALA A 29 5.006 -7.373 4.423 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.186 -6.985 3.385 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.227 -5.488 3.448 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.556 -5.742 4.604 1.00 0.00 H new ATOM 450 N ALA A 30 6.166 -9.225 5.501 1.00 0.00 N ATOM 451 CA ALA A 30 6.729 -10.359 6.212 1.00 0.00 C ATOM 452 C ALA A 30 7.784 -11.035 5.334 1.00 0.00 C ATOM 453 O ALA A 30 7.748 -10.910 4.110 1.00 0.00 O ATOM 454 CB ALA A 30 5.607 -11.317 6.618 1.00 0.00 C ATOM 0 H ALA A 30 5.552 -9.471 4.725 1.00 0.00 H new ATOM 0 HA ALA A 30 7.223 -10.030 7.126 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.030 -12.168 7.152 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.901 -10.797 7.266 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.089 -11.669 5.726 1.00 0.00 H new ATOM 576 N GLY A 39 5.650 -11.514 2.024 1.00 0.00 N ATOM 577 CA GLY A 39 4.728 -10.677 1.275 1.00 0.00 C ATOM 578 C GLY A 39 4.412 -9.391 2.041 1.00 0.00 C ATOM 579 O GLY A 39 4.819 -9.232 3.191 1.00 0.00 O ATOM 0 HA2 GLY A 39 5.160 -10.430 0.305 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.806 -11.226 1.083 1.00 0.00 H new ATOM 583 N ILE A 40 3.687 -8.506 1.373 1.00 0.00 N ATOM 584 CA ILE A 40 3.311 -7.238 1.976 1.00 0.00 C ATOM 585 C ILE A 40 1.807 -7.241 2.260 1.00 0.00 C ATOM 586 O ILE A 40 1.079 -8.097 1.762 1.00 0.00 O ATOM 587 CB ILE A 40 3.769 -6.071 1.101 1.00 0.00 C ATOM 588 CG1 ILE A 40 5.126 -6.368 0.458 1.00 0.00 C ATOM 589 CG2 ILE A 40 3.786 -4.763 1.895 1.00 0.00 C ATOM 590 CD1 ILE A 40 5.496 -5.294 -0.566 1.00 0.00 C ATOM 0 H ILE A 40 3.350 -8.642 0.420 1.00 0.00 H new ATOM 0 HA ILE A 40 3.817 -7.106 2.932 1.00 0.00 H new ATOM 0 HB ILE A 40 3.049 -5.947 0.292 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.894 -6.419 1.230 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.096 -7.343 -0.028 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.115 -3.949 1.249 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.783 -4.549 2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.471 -4.858 2.737 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.464 -5.530 -1.007 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.739 -5.262 -1.349 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.549 -4.324 -0.072 1.00 0.00 H new ATOM 602 N TYR A 41 1.387 -6.270 3.058 1.00 0.00 N ATOM 603 CA TYR A 41 -0.018 -6.148 3.413 1.00 0.00 C ATOM 604 C TYR A 41 -0.333 -4.743 3.927 1.00 0.00 C ATOM 605 O TYR A 41 0.571 -3.995 4.296 1.00 0.00 O ATOM 606 CB TYR A 41 -0.256 -7.156 4.539 1.00 0.00 C ATOM 607 CG TYR A 41 0.164 -8.586 4.195 1.00 0.00 C ATOM 608 CD1 TYR A 41 -0.641 -9.368 3.391 1.00 0.00 C ATOM 609 CD2 TYR A 41 1.350 -9.094 4.687 1.00 0.00 C ATOM 610 CE1 TYR A 41 -0.245 -10.714 3.066 1.00 0.00 C ATOM 611 CE2 TYR A 41 1.745 -10.441 4.361 1.00 0.00 C ATOM 612 CZ TYR A 41 0.928 -11.184 3.567 1.00 0.00 C ATOM 613 OH TYR A 41 1.302 -12.455 3.260 1.00 0.00 O ATOM 0 H TYR A 41 1.994 -5.561 3.469 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.651 -6.333 2.545 1.00 0.00 H new ATOM 0 HB2 TYR A 41 0.290 -6.831 5.425 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.315 -7.152 4.798 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.568 -8.970 3.006 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.981 -8.483 5.315 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.866 -11.336 2.438 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.670 -10.852 4.739 1.00 0.00 H new ATOM 0 HH TYR A 41 2.162 -12.655 3.686 1.00 0.00 H new ATOM 623 N VAL A 42 -1.620 -4.425 3.936 1.00 0.00 N ATOM 624 CA VAL A 42 -2.066 -3.123 4.399 1.00 0.00 C ATOM 625 C VAL A 42 -2.729 -3.274 5.770 1.00 0.00 C ATOM 626 O VAL A 42 -3.741 -3.958 5.901 1.00 0.00 O ATOM 627 CB VAL A 42 -2.987 -2.485 3.358 1.00 0.00 C ATOM 628 CG1 VAL A 42 -3.607 -1.192 3.892 1.00 0.00 C ATOM 629 CG2 VAL A 42 -2.239 -2.232 2.045 1.00 0.00 C ATOM 0 H VAL A 42 -2.368 -5.048 3.630 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.218 -2.449 4.520 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.797 -3.186 3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.257 -0.759 3.132 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.190 -1.410 4.787 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.816 -0.484 4.139 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.917 -1.778 1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.400 -1.560 2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.867 -3.177 1.650 1.00 0.00 H new ATOM 639 N LYS A 43 -2.129 -2.620 6.755 1.00 0.00 N ATOM 640 CA LYS A 43 -2.650 -2.672 8.111 1.00 0.00 C ATOM 641 C LYS A 43 -3.914 -1.816 8.202 1.00 0.00 C ATOM 642 O LYS A 43 -4.957 -2.288 8.651 1.00 0.00 O ATOM 643 CB LYS A 43 -1.566 -2.275 9.116 1.00 0.00 C ATOM 644 CG LYS A 43 -2.143 -2.161 10.528 1.00 0.00 C ATOM 645 CD LYS A 43 -2.306 -3.540 11.168 1.00 0.00 C ATOM 646 CE LYS A 43 -1.170 -3.823 12.155 1.00 0.00 C ATOM 647 NZ LYS A 43 -1.701 -4.456 13.385 1.00 0.00 N ATOM 0 H LYS A 43 -1.289 -2.053 6.641 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.936 -3.691 8.369 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.766 -3.015 9.105 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.124 -1.323 8.822 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.487 -1.546 11.144 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.109 -1.658 10.490 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.264 -3.594 11.685 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.318 -4.306 10.393 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.431 -4.477 11.692 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.659 -2.894 12.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.919 -4.642 14.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.389 -3.819 13.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.168 -5.352 13.140 1.00 0.00 H new ATOM 661 N SER A 44 -3.780 -0.571 7.768 1.00 0.00 N ATOM 662 CA SER A 44 -4.899 0.354 7.795 1.00 0.00 C ATOM 663 C SER A 44 -4.410 1.775 7.501 1.00 0.00 C ATOM 664 O SER A 44 -3.208 2.013 7.407 1.00 0.00 O ATOM 665 CB SER A 44 -5.619 0.310 9.143 1.00 0.00 C ATOM 666 OG SER A 44 -5.582 1.567 9.811 1.00 0.00 O ATOM 0 H SER A 44 -2.914 -0.182 7.396 1.00 0.00 H new ATOM 0 HA SER A 44 -5.609 0.053 7.025 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.656 0.012 8.990 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.159 -0.450 9.775 1.00 0.00 H new ATOM 0 HG SER A 44 -6.054 1.497 10.667 1.00 0.00 H new ATOM 672 N VAL A 45 -5.368 2.680 7.366 1.00 0.00 N ATOM 673 CA VAL A 45 -5.050 4.070 7.086 1.00 0.00 C ATOM 674 C VAL A 45 -5.163 4.885 8.376 1.00 0.00 C ATOM 675 O VAL A 45 -6.124 4.730 9.129 1.00 0.00 O ATOM 676 CB VAL A 45 -5.949 4.596 5.965 1.00 0.00 C ATOM 677 CG1 VAL A 45 -5.846 3.711 4.721 1.00 0.00 C ATOM 678 CG2 VAL A 45 -7.399 4.717 6.435 1.00 0.00 C ATOM 0 H VAL A 45 -6.365 2.478 7.445 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.023 4.163 6.732 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.602 5.594 5.696 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.494 4.106 3.939 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.815 3.700 4.367 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.155 2.696 4.970 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.016 5.093 5.619 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.764 3.738 6.744 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.452 5.407 7.277 1.00 0.00 H new ATOM 688 N VAL A 46 -4.170 5.736 8.590 1.00 0.00 N ATOM 689 CA VAL A 46 -4.147 6.575 9.776 1.00 0.00 C ATOM 690 C VAL A 46 -5.560 7.089 10.060 1.00 0.00 C ATOM 691 O VAL A 46 -5.932 7.286 11.215 1.00 0.00 O ATOM 692 CB VAL A 46 -3.125 7.701 9.600 1.00 0.00 C ATOM 693 CG1 VAL A 46 -3.482 8.906 10.472 1.00 0.00 C ATOM 694 CG2 VAL A 46 -1.708 7.207 9.899 1.00 0.00 C ATOM 0 H VAL A 46 -3.376 5.862 7.962 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.830 5.999 10.645 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.155 8.021 8.559 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.740 9.692 10.328 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.466 9.280 10.190 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.494 8.606 11.520 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.001 8.026 9.766 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.657 6.847 10.927 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.454 6.395 9.217 1.00 0.00 H new ATOM 704 N LYS A 47 -6.308 7.292 8.986 1.00 0.00 N ATOM 705 CA LYS A 47 -7.672 7.779 9.104 1.00 0.00 C ATOM 706 C LYS A 47 -7.660 9.308 9.144 1.00 0.00 C ATOM 707 O LYS A 47 -8.693 9.934 9.377 1.00 0.00 O ATOM 708 CB LYS A 47 -8.367 7.138 10.307 1.00 0.00 C ATOM 709 CG LYS A 47 -9.888 7.170 10.144 1.00 0.00 C ATOM 710 CD LYS A 47 -10.418 5.816 9.671 1.00 0.00 C ATOM 711 CE LYS A 47 -11.213 5.960 8.371 1.00 0.00 C ATOM 712 NZ LYS A 47 -11.508 4.630 7.793 1.00 0.00 N ATOM 0 H LYS A 47 -5.995 7.128 8.029 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.258 7.486 8.233 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.031 6.107 10.418 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.084 7.665 11.218 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.353 7.435 11.093 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.164 7.943 9.427 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.585 5.129 9.518 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.053 5.380 10.443 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.144 6.493 8.564 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.647 6.556 7.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.048 4.746 6.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.617 4.134 7.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.067 4.073 8.470 1.00 0.00 H new ATOM 726 N GLY A 48 -6.482 9.866 8.913 1.00 0.00 N ATOM 727 CA GLY A 48 -6.321 11.310 8.919 1.00 0.00 C ATOM 728 C GLY A 48 -5.151 11.737 8.033 1.00 0.00 C ATOM 729 O GLY A 48 -4.420 12.669 8.366 1.00 0.00 O ATOM 0 H GLY A 48 -5.628 9.343 8.720 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.238 11.783 8.568 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.154 11.656 9.939 1.00 0.00 H new ATOM 733 N GLY A 49 -5.004 11.032 6.919 1.00 0.00 N ATOM 734 CA GLY A 49 -3.933 11.326 5.982 1.00 0.00 C ATOM 735 C GLY A 49 -4.493 11.689 4.605 1.00 0.00 C ATOM 736 O GLY A 49 -5.702 11.624 4.387 1.00 0.00 O ATOM 0 H GLY A 49 -5.609 10.258 6.645 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.329 12.150 6.362 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.274 10.462 5.894 1.00 0.00 H new ATOM 740 N ALA A 50 -3.587 12.062 3.713 1.00 0.00 N ATOM 741 CA ALA A 50 -3.975 12.434 2.364 1.00 0.00 C ATOM 742 C ALA A 50 -4.425 11.185 1.603 1.00 0.00 C ATOM 743 O ALA A 50 -5.587 11.074 1.218 1.00 0.00 O ATOM 744 CB ALA A 50 -2.811 13.148 1.676 1.00 0.00 C ATOM 0 H ALA A 50 -2.585 12.114 3.899 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.816 13.127 2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.103 13.427 0.663 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.550 14.044 2.239 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.949 12.482 1.635 1.00 0.00 H new ATOM 750 N ALA A 51 -3.479 10.277 1.410 1.00 0.00 N ATOM 751 CA ALA A 51 -3.763 9.040 0.703 1.00 0.00 C ATOM 752 C ALA A 51 -4.712 8.183 1.544 1.00 0.00 C ATOM 753 O ALA A 51 -5.383 7.295 1.019 1.00 0.00 O ATOM 754 CB ALA A 51 -2.451 8.319 0.389 1.00 0.00 C ATOM 0 H ALA A 51 -2.516 10.374 1.731 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.258 9.245 -0.246 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.664 7.391 -0.141 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.825 8.958 -0.234 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.928 8.094 1.318 1.00 0.00 H new ATOM 760 N ASP A 52 -4.739 8.480 2.835 1.00 0.00 N ATOM 761 CA ASP A 52 -5.594 7.746 3.753 1.00 0.00 C ATOM 762 C ASP A 52 -7.060 8.034 3.418 1.00 0.00 C ATOM 763 O ASP A 52 -7.850 7.110 3.227 1.00 0.00 O ATOM 764 CB ASP A 52 -5.347 8.180 5.200 1.00 0.00 C ATOM 765 CG ASP A 52 -6.607 8.310 6.059 1.00 0.00 C ATOM 766 OD1 ASP A 52 -7.258 7.266 6.274 1.00 0.00 O ATOM 767 OD2 ASP A 52 -6.889 9.452 6.482 1.00 0.00 O ATOM 0 H ASP A 52 -4.183 9.218 3.267 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.368 6.685 3.650 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.677 7.460 5.670 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.830 9.139 5.193 1.00 0.00 H new ATOM 772 N VAL A 53 -7.378 9.319 3.355 1.00 0.00 N ATOM 773 CA VAL A 53 -8.733 9.738 3.045 1.00 0.00 C ATOM 774 C VAL A 53 -8.968 9.621 1.537 1.00 0.00 C ATOM 775 O VAL A 53 -9.873 8.911 1.101 1.00 0.00 O ATOM 776 CB VAL A 53 -8.980 11.151 3.579 1.00 0.00 C ATOM 777 CG1 VAL A 53 -10.280 11.730 3.019 1.00 0.00 C ATOM 778 CG2 VAL A 53 -8.987 11.165 5.108 1.00 0.00 C ATOM 0 H VAL A 53 -6.721 10.083 3.513 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.455 9.087 3.538 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.160 11.785 3.242 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.431 12.734 3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.220 11.773 1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.117 11.095 3.311 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.164 12.181 5.462 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.777 10.510 5.474 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.024 10.814 5.479 1.00 0.00 H new ATOM 788 N ASP A 54 -8.137 10.326 0.785 1.00 0.00 N ATOM 789 CA ASP A 54 -8.242 10.309 -0.665 1.00 0.00 C ATOM 790 C ASP A 54 -8.233 8.859 -1.155 1.00 0.00 C ATOM 791 O ASP A 54 -9.118 8.448 -1.904 1.00 0.00 O ATOM 792 CB ASP A 54 -7.062 11.036 -1.311 1.00 0.00 C ATOM 793 CG ASP A 54 -7.090 12.560 -1.180 1.00 0.00 C ATOM 794 OD1 ASP A 54 -6.614 13.049 -0.134 1.00 0.00 O ATOM 795 OD2 ASP A 54 -7.588 13.202 -2.130 1.00 0.00 O ATOM 0 H ASP A 54 -7.388 10.913 1.152 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.169 10.811 -0.943 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.139 10.665 -0.866 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.031 10.778 -2.370 1.00 0.00 H new ATOM 800 N GLY A 55 -7.222 8.127 -0.714 1.00 0.00 N ATOM 801 CA GLY A 55 -7.085 6.732 -1.098 1.00 0.00 C ATOM 802 C GLY A 55 -8.223 5.890 -0.522 1.00 0.00 C ATOM 803 O GLY A 55 -8.909 5.180 -1.255 1.00 0.00 O ATOM 0 H GLY A 55 -6.489 8.473 -0.094 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.081 6.649 -2.185 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.128 6.346 -0.745 1.00 0.00 H new ATOM 807 N ARG A 56 -8.390 5.995 0.789 1.00 0.00 N ATOM 808 CA ARG A 56 -9.433 5.252 1.473 1.00 0.00 C ATOM 809 C ARG A 56 -9.297 3.756 1.181 1.00 0.00 C ATOM 810 O ARG A 56 -10.287 3.083 0.900 1.00 0.00 O ATOM 811 CB ARG A 56 -10.822 5.726 1.039 1.00 0.00 C ATOM 812 CG ARG A 56 -11.900 5.213 1.997 1.00 0.00 C ATOM 813 CD ARG A 56 -13.289 5.311 1.362 1.00 0.00 C ATOM 814 NE ARG A 56 -14.186 6.111 2.228 1.00 0.00 N ATOM 815 CZ ARG A 56 -14.653 5.694 3.412 1.00 0.00 C ATOM 816 NH1 ARG A 56 -14.314 4.485 3.880 1.00 0.00 N ATOM 817 NH2 ARG A 56 -15.462 6.487 4.128 1.00 0.00 N ATOM 0 H ARG A 56 -7.819 6.584 1.395 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.320 5.429 2.543 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.846 6.815 1.009 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.031 5.375 0.029 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.691 4.177 2.265 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.877 5.792 2.920 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.216 5.771 0.377 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.703 4.313 1.218 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.465 7.036 1.903 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.699 3.881 3.334 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.670 4.169 4.782 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.721 7.407 3.771 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.819 6.171 5.030 1.00 0.00 H new ATOM 831 N LEU A 57 -8.064 3.279 1.260 1.00 0.00 N ATOM 832 CA LEU A 57 -7.786 1.876 1.008 1.00 0.00 C ATOM 833 C LEU A 57 -8.347 1.035 2.158 1.00 0.00 C ATOM 834 O LEU A 57 -8.521 1.534 3.268 1.00 0.00 O ATOM 835 CB LEU A 57 -6.291 1.661 0.762 1.00 0.00 C ATOM 836 CG LEU A 57 -5.708 2.355 -0.471 1.00 0.00 C ATOM 837 CD1 LEU A 57 -4.221 2.657 -0.279 1.00 0.00 C ATOM 838 CD2 LEU A 57 -5.970 1.539 -1.737 1.00 0.00 C ATOM 0 H LEU A 57 -7.245 3.840 1.495 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.286 1.547 0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.745 2.005 1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.108 0.590 0.672 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.216 3.311 -0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.832 3.150 -1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.091 3.311 0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.679 1.726 -0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.545 2.056 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.508 0.557 -1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.044 1.422 -1.879 1.00 0.00 H new ATOM 850 N ALA A 58 -8.614 -0.226 1.850 1.00 0.00 N ATOM 851 CA ALA A 58 -9.151 -1.140 2.843 1.00 0.00 C ATOM 852 C ALA A 58 -8.020 -1.619 3.755 1.00 0.00 C ATOM 853 O ALA A 58 -6.864 -1.676 3.337 1.00 0.00 O ATOM 854 CB ALA A 58 -9.862 -2.298 2.140 1.00 0.00 C ATOM 0 H ALA A 58 -8.468 -0.636 0.927 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.888 -0.636 3.469 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.265 -2.984 2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.676 -1.908 1.528 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.153 -2.828 1.505 1.00 0.00 H new ATOM 860 N ALA A 59 -8.391 -1.947 4.984 1.00 0.00 N ATOM 861 CA ALA A 59 -7.422 -2.417 5.959 1.00 0.00 C ATOM 862 C ALA A 59 -7.420 -3.947 5.972 1.00 0.00 C ATOM 863 O ALA A 59 -8.411 -4.568 6.353 1.00 0.00 O ATOM 864 CB ALA A 59 -7.746 -1.822 7.330 1.00 0.00 C ATOM 0 H ALA A 59 -9.350 -1.896 5.327 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.418 -2.088 5.691 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.019 -2.175 8.061 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.705 -0.734 7.273 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.746 -2.132 7.634 1.00 0.00 H new ATOM 870 N GLY A 60 -6.298 -4.511 5.551 1.00 0.00 N ATOM 871 CA GLY A 60 -6.155 -5.956 5.510 1.00 0.00 C ATOM 872 C GLY A 60 -5.932 -6.444 4.077 1.00 0.00 C ATOM 873 O GLY A 60 -6.294 -7.570 3.739 1.00 0.00 O ATOM 0 H GLY A 60 -5.478 -3.993 5.235 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.316 -6.260 6.136 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.048 -6.425 5.923 1.00 0.00 H new ATOM 877 N ASP A 61 -5.340 -5.573 3.274 1.00 0.00 N ATOM 878 CA ASP A 61 -5.066 -5.902 1.885 1.00 0.00 C ATOM 879 C ASP A 61 -3.654 -6.481 1.770 1.00 0.00 C ATOM 880 O ASP A 61 -2.807 -6.232 2.629 1.00 0.00 O ATOM 881 CB ASP A 61 -5.139 -4.656 0.999 1.00 0.00 C ATOM 882 CG ASP A 61 -6.289 -3.700 1.324 1.00 0.00 C ATOM 883 OD1 ASP A 61 -7.274 -4.179 1.929 1.00 0.00 O ATOM 884 OD2 ASP A 61 -6.158 -2.513 0.959 1.00 0.00 O ATOM 0 H ASP A 61 -5.042 -4.640 3.558 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.814 -6.623 1.556 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.198 -4.112 1.084 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.231 -4.972 -0.040 1.00 0.00 H new ATOM 889 N GLN A 62 -3.443 -7.240 0.707 1.00 0.00 N ATOM 890 CA GLN A 62 -2.149 -7.855 0.471 1.00 0.00 C ATOM 891 C GLN A 62 -1.375 -7.070 -0.590 1.00 0.00 C ATOM 892 O GLN A 62 -1.804 -6.983 -1.740 1.00 0.00 O ATOM 893 CB GLN A 62 -2.305 -9.321 0.062 1.00 0.00 C ATOM 894 CG GLN A 62 -0.946 -9.952 -0.249 1.00 0.00 C ATOM 895 CD GLN A 62 -1.063 -10.978 -1.379 1.00 0.00 C ATOM 896 OE1 GLN A 62 -1.072 -10.648 -2.553 1.00 0.00 O ATOM 897 NE2 GLN A 62 -1.151 -12.236 -0.958 1.00 0.00 N ATOM 0 H GLN A 62 -4.147 -7.444 -0.002 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.581 -7.830 1.401 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.792 -9.876 0.864 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.951 -9.391 -0.813 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.236 -9.174 -0.531 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.552 -10.434 0.645 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.137 -12.442 0.041 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.232 -12.996 -1.634 1.00 0.00 H new ATOM 906 N LEU A 63 -0.247 -6.518 -0.167 1.00 0.00 N ATOM 907 CA LEU A 63 0.591 -5.744 -1.066 1.00 0.00 C ATOM 908 C LEU A 63 1.779 -6.600 -1.515 1.00 0.00 C ATOM 909 O LEU A 63 2.139 -7.566 -0.845 1.00 0.00 O ATOM 910 CB LEU A 63 0.998 -4.422 -0.413 1.00 0.00 C ATOM 911 CG LEU A 63 1.532 -3.344 -1.359 1.00 0.00 C ATOM 912 CD1 LEU A 63 0.446 -2.318 -1.689 1.00 0.00 C ATOM 913 CD2 LEU A 63 2.788 -2.684 -0.785 1.00 0.00 C ATOM 0 H LEU A 63 0.106 -6.592 0.787 1.00 0.00 H new ATOM 0 HA LEU A 63 0.036 -5.472 -1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.134 -4.019 0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.761 -4.630 0.337 1.00 0.00 H new ATOM 0 HG LEU A 63 1.819 -3.823 -2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.851 -1.563 -2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.394 -2.819 -2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.106 -1.840 -0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.147 -1.922 -1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.551 -2.222 0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.562 -3.438 -0.642 1.00 0.00 H new ATOM 925 N LEU A 64 2.352 -6.212 -2.644 1.00 0.00 N ATOM 926 CA LEU A 64 3.491 -6.932 -3.189 1.00 0.00 C ATOM 927 C LEU A 64 4.410 -5.949 -3.917 1.00 0.00 C ATOM 928 O LEU A 64 5.627 -6.127 -3.936 1.00 0.00 O ATOM 929 CB LEU A 64 3.021 -8.096 -4.063 1.00 0.00 C ATOM 930 CG LEU A 64 1.740 -8.801 -3.609 1.00 0.00 C ATOM 931 CD1 LEU A 64 0.509 -7.941 -3.900 1.00 0.00 C ATOM 932 CD2 LEU A 64 1.629 -10.192 -4.237 1.00 0.00 C ATOM 0 H LEU A 64 2.050 -5.409 -3.196 1.00 0.00 H new ATOM 0 HA LEU A 64 4.076 -7.382 -2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.868 -7.725 -5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.821 -8.835 -4.111 1.00 0.00 H new ATOM 0 HG LEU A 64 1.789 -8.938 -2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.387 -8.465 -3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.593 -6.993 -3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.443 -7.751 -4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.711 -10.672 -3.899 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.612 -10.101 -5.323 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.485 -10.796 -3.937 1.00 0.00 H new ATOM 944 N SER A 65 3.791 -4.931 -4.499 1.00 0.00 N ATOM 945 CA SER A 65 4.537 -3.918 -5.226 1.00 0.00 C ATOM 946 C SER A 65 4.480 -2.585 -4.476 1.00 0.00 C ATOM 947 O SER A 65 3.522 -2.319 -3.750 1.00 0.00 O ATOM 948 CB SER A 65 3.999 -3.752 -6.648 1.00 0.00 C ATOM 949 OG SER A 65 4.978 -4.077 -7.630 1.00 0.00 O ATOM 0 H SER A 65 2.781 -4.787 -4.481 1.00 0.00 H new ATOM 0 HA SER A 65 5.575 -4.243 -5.296 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.125 -4.390 -6.782 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.668 -2.724 -6.793 1.00 0.00 H new ATOM 0 HG SER A 65 4.654 -3.810 -8.516 1.00 0.00 H new ATOM 955 N VAL A 66 5.516 -1.785 -4.678 1.00 0.00 N ATOM 956 CA VAL A 66 5.593 -0.486 -4.030 1.00 0.00 C ATOM 957 C VAL A 66 5.821 0.594 -5.089 1.00 0.00 C ATOM 958 O VAL A 66 6.199 0.291 -6.220 1.00 0.00 O ATOM 959 CB VAL A 66 6.679 -0.503 -2.951 1.00 0.00 C ATOM 960 CG1 VAL A 66 7.928 0.246 -3.418 1.00 0.00 C ATOM 961 CG2 VAL A 66 6.153 0.073 -1.636 1.00 0.00 C ATOM 0 H VAL A 66 6.308 -2.010 -5.280 1.00 0.00 H new ATOM 0 HA VAL A 66 4.655 -0.255 -3.525 1.00 0.00 H new ATOM 0 HB VAL A 66 6.959 -1.541 -2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.684 0.219 -2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.322 -0.228 -4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.670 1.282 -3.637 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.944 0.049 -0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.832 1.103 -1.792 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.308 -0.522 -1.290 1.00 0.00 H new ATOM 971 N ASP A 67 5.581 1.834 -4.686 1.00 0.00 N ATOM 972 CA ASP A 67 5.754 2.960 -5.586 1.00 0.00 C ATOM 973 C ASP A 67 7.245 3.150 -5.877 1.00 0.00 C ATOM 974 O ASP A 67 8.047 3.293 -4.956 1.00 0.00 O ATOM 975 CB ASP A 67 5.227 4.254 -4.959 1.00 0.00 C ATOM 976 CG ASP A 67 6.265 5.365 -4.800 1.00 0.00 C ATOM 977 OD1 ASP A 67 6.868 5.730 -5.832 1.00 0.00 O ATOM 978 OD2 ASP A 67 6.432 5.825 -3.649 1.00 0.00 O ATOM 0 H ASP A 67 5.268 2.082 -3.748 1.00 0.00 H new ATOM 0 HA ASP A 67 5.198 2.749 -6.500 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.407 4.629 -5.571 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.812 4.022 -3.978 1.00 0.00 H new ATOM 983 N GLY A 68 7.569 3.145 -7.161 1.00 0.00 N ATOM 984 CA GLY A 68 8.949 3.315 -7.585 1.00 0.00 C ATOM 985 C GLY A 68 9.648 1.962 -7.729 1.00 0.00 C ATOM 986 O GLY A 68 10.724 1.874 -8.323 1.00 0.00 O ATOM 0 H GLY A 68 6.900 3.026 -7.922 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.978 3.847 -8.536 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.483 3.929 -6.860 1.00 0.00 H new ATOM 990 N ARG A 69 9.012 0.939 -7.180 1.00 0.00 N ATOM 991 CA ARG A 69 9.558 -0.405 -7.241 1.00 0.00 C ATOM 992 C ARG A 69 8.429 -1.436 -7.306 1.00 0.00 C ATOM 993 O ARG A 69 7.777 -1.712 -6.300 1.00 0.00 O ATOM 994 CB ARG A 69 10.436 -0.698 -6.024 1.00 0.00 C ATOM 995 CG ARG A 69 11.510 0.379 -5.850 1.00 0.00 C ATOM 996 CD ARG A 69 12.592 -0.077 -4.870 1.00 0.00 C ATOM 997 NE ARG A 69 13.933 0.158 -5.450 1.00 0.00 N ATOM 998 CZ ARG A 69 15.075 0.098 -4.751 1.00 0.00 C ATOM 999 NH1 ARG A 69 15.046 -0.194 -3.443 1.00 0.00 N ATOM 1000 NH2 ARG A 69 16.245 0.328 -5.361 1.00 0.00 N ATOM 0 H ARG A 69 8.121 1.014 -6.689 1.00 0.00 H new ATOM 0 HA ARG A 69 10.169 -0.473 -8.141 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.817 -0.747 -5.128 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.909 -1.673 -6.139 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.962 0.606 -6.816 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.052 1.299 -5.488 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.494 0.465 -3.929 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.466 -1.136 -4.643 1.00 0.00 H new ATOM 0 HE ARG A 69 13.992 0.379 -6.444 1.00 0.00 H new ATOM 0 HH11 ARG A 69 14.155 -0.371 -2.980 1.00 0.00 H new ATOM 0 HH12 ARG A 69 15.915 -0.240 -2.911 1.00 0.00 H new ATOM 0 HH21 ARG A 69 16.266 0.549 -6.357 1.00 0.00 H new ATOM 0 HH22 ARG A 69 17.115 0.283 -4.830 1.00 0.00 H new ATOM 1014 N SER A 70 8.231 -1.975 -8.499 1.00 0.00 N ATOM 1015 CA SER A 70 7.193 -2.969 -8.710 1.00 0.00 C ATOM 1016 C SER A 70 7.608 -4.302 -8.081 1.00 0.00 C ATOM 1017 O SER A 70 7.738 -5.306 -8.779 1.00 0.00 O ATOM 1018 CB SER A 70 6.897 -3.153 -10.199 1.00 0.00 C ATOM 1019 OG SER A 70 6.622 -1.914 -10.845 1.00 0.00 O ATOM 0 H SER A 70 8.773 -1.742 -9.331 1.00 0.00 H new ATOM 0 HA SER A 70 6.281 -2.616 -8.229 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.749 -3.632 -10.682 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.045 -3.822 -10.319 1.00 0.00 H new ATOM 0 HG SER A 70 6.440 -2.074 -11.795 1.00 0.00 H new ATOM 1025 N LEU A 71 7.804 -4.265 -6.771 1.00 0.00 N ATOM 1026 CA LEU A 71 8.203 -5.458 -6.042 1.00 0.00 C ATOM 1027 C LEU A 71 7.478 -6.673 -6.624 1.00 0.00 C ATOM 1028 O LEU A 71 8.110 -7.567 -7.186 1.00 0.00 O ATOM 1029 CB LEU A 71 7.978 -5.268 -4.541 1.00 0.00 C ATOM 1030 CG LEU A 71 9.087 -4.535 -3.784 1.00 0.00 C ATOM 1031 CD1 LEU A 71 9.158 -3.065 -4.203 1.00 0.00 C ATOM 1032 CD2 LEU A 71 8.914 -4.691 -2.272 1.00 0.00 C ATOM 0 H LEU A 71 7.694 -3.430 -6.196 1.00 0.00 H new ATOM 0 HA LEU A 71 9.272 -5.638 -6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.046 -4.721 -4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.843 -6.250 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 71 10.040 -4.992 -4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.954 -2.567 -3.650 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.363 -3.001 -5.272 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.207 -2.579 -3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.715 -4.161 -1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.952 -4.276 -1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.951 -5.748 -2.009 1.00 0.00 H new ATOM 1044 N VAL A 72 6.162 -6.666 -6.469 1.00 0.00 N ATOM 1045 CA VAL A 72 5.344 -7.757 -6.973 1.00 0.00 C ATOM 1046 C VAL A 72 5.247 -8.850 -5.905 1.00 0.00 C ATOM 1047 O VAL A 72 4.451 -9.779 -6.036 1.00 0.00 O ATOM 1048 CB VAL A 72 5.909 -8.265 -8.300 1.00 0.00 C ATOM 1049 CG1 VAL A 72 6.758 -9.522 -8.091 1.00 0.00 C ATOM 1050 CG2 VAL A 72 4.789 -8.523 -9.311 1.00 0.00 C ATOM 0 H VAL A 72 5.642 -5.923 -6.002 1.00 0.00 H new ATOM 0 HA VAL A 72 4.331 -7.412 -7.179 1.00 0.00 H new ATOM 0 HB VAL A 72 6.556 -7.488 -8.707 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.147 -9.862 -9.051 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.588 -9.293 -7.423 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.143 -10.307 -7.650 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.219 -8.883 -10.246 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.105 -9.273 -8.913 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.245 -7.597 -9.495 1.00 0.00 H new ATOM 1060 N GLY A 73 6.069 -8.702 -4.877 1.00 0.00 N ATOM 1061 CA GLY A 73 6.085 -9.666 -3.790 1.00 0.00 C ATOM 1062 C GLY A 73 7.423 -9.632 -3.047 1.00 0.00 C ATOM 1063 O GLY A 73 8.052 -10.669 -2.849 1.00 0.00 O ATOM 0 H GLY A 73 6.728 -7.930 -4.774 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.273 -9.450 -3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.909 -10.667 -4.184 1.00 0.00 H new ATOM 1067 N LEU A 74 7.817 -8.428 -2.660 1.00 0.00 N ATOM 1068 CA LEU A 74 9.068 -8.246 -1.944 1.00 0.00 C ATOM 1069 C LEU A 74 8.786 -7.605 -0.584 1.00 0.00 C ATOM 1070 O LEU A 74 7.656 -7.199 -0.308 1.00 0.00 O ATOM 1071 CB LEU A 74 10.065 -7.460 -2.799 1.00 0.00 C ATOM 1072 CG LEU A 74 10.920 -8.285 -3.761 1.00 0.00 C ATOM 1073 CD1 LEU A 74 11.972 -7.410 -4.449 1.00 0.00 C ATOM 1074 CD2 LEU A 74 11.549 -9.484 -3.048 1.00 0.00 C ATOM 0 H LEU A 74 7.293 -7.570 -2.829 1.00 0.00 H new ATOM 0 HA LEU A 74 9.539 -9.210 -1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.512 -6.721 -3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.730 -6.911 -2.133 1.00 0.00 H new ATOM 0 HG LEU A 74 10.270 -8.680 -4.541 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.566 -8.022 -5.128 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.476 -6.620 -5.013 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.623 -6.965 -3.697 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.152 -10.053 -3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.182 -9.132 -2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.762 -10.122 -2.646 1.00 0.00 H new ATOM 1086 N SER A 75 9.829 -7.532 0.229 1.00 0.00 N ATOM 1087 CA SER A 75 9.706 -6.947 1.553 1.00 0.00 C ATOM 1088 C SER A 75 9.572 -5.426 1.444 1.00 0.00 C ATOM 1089 O SER A 75 9.971 -4.837 0.441 1.00 0.00 O ATOM 1090 CB SER A 75 10.905 -7.313 2.432 1.00 0.00 C ATOM 1091 OG SER A 75 10.502 -7.815 3.702 1.00 0.00 O ATOM 0 H SER A 75 10.763 -7.868 -0.004 1.00 0.00 H new ATOM 0 HA SER A 75 8.809 -7.351 2.022 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.513 -8.061 1.923 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.533 -6.433 2.573 1.00 0.00 H new ATOM 0 HG SER A 75 11.295 -8.039 4.232 1.00 0.00 H new ATOM 1097 N GLN A 76 9.012 -4.836 2.489 1.00 0.00 N ATOM 1098 CA GLN A 76 8.821 -3.397 2.523 1.00 0.00 C ATOM 1099 C GLN A 76 10.110 -2.702 2.967 1.00 0.00 C ATOM 1100 O GLN A 76 10.255 -1.491 2.798 1.00 0.00 O ATOM 1101 CB GLN A 76 7.651 -3.019 3.434 1.00 0.00 C ATOM 1102 CG GLN A 76 8.095 -2.957 4.898 1.00 0.00 C ATOM 1103 CD GLN A 76 6.969 -2.429 5.789 1.00 0.00 C ATOM 1104 OE1 GLN A 76 6.126 -1.652 5.373 1.00 0.00 O ATOM 1105 NE2 GLN A 76 7.005 -2.891 7.036 1.00 0.00 N ATOM 0 H GLN A 76 8.684 -5.329 3.319 1.00 0.00 H new ATOM 0 HA GLN A 76 8.577 -3.058 1.516 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.247 -2.053 3.131 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.849 -3.749 3.324 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.394 -3.950 5.234 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.969 -2.313 4.990 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.739 -3.540 7.318 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.298 -2.596 7.710 1.00 0.00 H new ATOM 1114 N GLU A 77 11.011 -3.496 3.525 1.00 0.00 N ATOM 1115 CA GLU A 77 12.282 -2.971 3.994 1.00 0.00 C ATOM 1116 C GLU A 77 12.826 -1.936 3.008 1.00 0.00 C ATOM 1117 O GLU A 77 13.110 -0.800 3.387 1.00 0.00 O ATOM 1118 CB GLU A 77 13.291 -4.099 4.218 1.00 0.00 C ATOM 1119 CG GLU A 77 14.724 -3.593 4.046 1.00 0.00 C ATOM 1120 CD GLU A 77 15.627 -4.111 5.168 1.00 0.00 C ATOM 1121 OE1 GLU A 77 15.579 -5.336 5.416 1.00 0.00 O ATOM 1122 OE2 GLU A 77 16.343 -3.270 5.754 1.00 0.00 O ATOM 0 H GLU A 77 10.886 -4.499 3.663 1.00 0.00 H new ATOM 0 HA GLU A 77 12.118 -2.478 4.952 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.165 -4.512 5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.100 -4.908 3.513 1.00 0.00 H new ATOM 0 HG2 GLU A 77 15.114 -3.917 3.081 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.731 -2.503 4.043 1.00 0.00 H new ATOM 1129 N ARG A 78 12.957 -2.366 1.761 1.00 0.00 N ATOM 1130 CA ARG A 78 13.461 -1.489 0.718 1.00 0.00 C ATOM 1131 C ARG A 78 12.324 -0.647 0.136 1.00 0.00 C ATOM 1132 O ARG A 78 12.399 0.582 0.127 1.00 0.00 O ATOM 1133 CB ARG A 78 14.117 -2.295 -0.407 1.00 0.00 C ATOM 1134 CG ARG A 78 14.811 -3.542 0.145 1.00 0.00 C ATOM 1135 CD ARG A 78 14.014 -4.804 -0.189 1.00 0.00 C ATOM 1136 NE ARG A 78 14.915 -5.979 -0.219 1.00 0.00 N ATOM 1137 CZ ARG A 78 14.640 -7.119 -0.864 1.00 0.00 C ATOM 1138 NH1 ARG A 78 13.489 -7.248 -1.537 1.00 0.00 N ATOM 1139 NH2 ARG A 78 15.517 -8.133 -0.836 1.00 0.00 N ATOM 0 H ARG A 78 12.723 -3.309 1.450 1.00 0.00 H new ATOM 0 HA ARG A 78 14.208 -0.835 1.167 1.00 0.00 H new ATOM 0 HB2 ARG A 78 13.363 -2.588 -1.137 1.00 0.00 H new ATOM 0 HB3 ARG A 78 14.843 -1.672 -0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 78 15.815 -3.620 -0.273 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.922 -3.453 1.226 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.230 -4.956 0.553 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.522 -4.688 -1.155 1.00 0.00 H new ATOM 0 HE ARG A 78 15.800 -5.915 0.283 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.821 -6.477 -1.558 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.280 -8.117 -2.028 1.00 0.00 H new ATOM 0 HH21 ARG A 78 16.393 -8.035 -0.323 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.308 -9.002 -1.327 1.00 0.00 H new ATOM 1153 N ALA A 79 11.299 -1.341 -0.338 1.00 0.00 N ATOM 1154 CA ALA A 79 10.148 -0.671 -0.920 1.00 0.00 C ATOM 1155 C ALA A 79 9.721 0.485 -0.012 1.00 0.00 C ATOM 1156 O ALA A 79 9.808 1.648 -0.402 1.00 0.00 O ATOM 1157 CB ALA A 79 9.024 -1.685 -1.140 1.00 0.00 C ATOM 0 H ALA A 79 11.242 -2.359 -0.331 1.00 0.00 H new ATOM 0 HA ALA A 79 10.402 -0.249 -1.892 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.161 -1.182 -1.576 1.00 0.00 H new ATOM 0 HB2 ALA A 79 9.368 -2.468 -1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.741 -2.128 -0.185 1.00 0.00 H new ATOM 1163 N ALA A 80 9.270 0.122 1.180 1.00 0.00 N ATOM 1164 CA ALA A 80 8.831 1.114 2.146 1.00 0.00 C ATOM 1165 C ALA A 80 9.657 2.391 1.972 1.00 0.00 C ATOM 1166 O ALA A 80 9.171 3.381 1.430 1.00 0.00 O ATOM 1167 CB ALA A 80 8.940 0.535 3.558 1.00 0.00 C ATOM 0 H ALA A 80 9.199 -0.845 1.498 1.00 0.00 H new ATOM 0 HA ALA A 80 7.785 1.374 1.981 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.611 1.279 4.283 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.311 -0.352 3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.976 0.264 3.761 1.00 0.00 H new ATOM 1173 N GLU A 81 10.894 2.325 2.445 1.00 0.00 N ATOM 1174 CA GLU A 81 11.793 3.463 2.351 1.00 0.00 C ATOM 1175 C GLU A 81 11.564 4.211 1.035 1.00 0.00 C ATOM 1176 O GLU A 81 11.014 5.310 1.030 1.00 0.00 O ATOM 1177 CB GLU A 81 13.251 3.022 2.484 1.00 0.00 C ATOM 1178 CG GLU A 81 14.194 4.225 2.424 1.00 0.00 C ATOM 1179 CD GLU A 81 15.512 3.924 3.143 1.00 0.00 C ATOM 1180 OE1 GLU A 81 16.088 2.856 2.847 1.00 0.00 O ATOM 1181 OE2 GLU A 81 15.911 4.770 3.972 1.00 0.00 O ATOM 0 H GLU A 81 11.294 1.501 2.894 1.00 0.00 H new ATOM 0 HA GLU A 81 11.577 4.142 3.176 1.00 0.00 H new ATOM 0 HB2 GLU A 81 13.390 2.493 3.427 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.497 2.322 1.686 1.00 0.00 H new ATOM 0 HG2 GLU A 81 14.394 4.484 1.384 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.715 5.091 2.882 1.00 0.00 H new ATOM 1188 N LEU A 82 11.999 3.584 -0.049 1.00 0.00 N ATOM 1189 CA LEU A 82 11.848 4.176 -1.367 1.00 0.00 C ATOM 1190 C LEU A 82 10.434 4.743 -1.508 1.00 0.00 C ATOM 1191 O LEU A 82 10.214 5.695 -2.257 1.00 0.00 O ATOM 1192 CB LEU A 82 12.216 3.165 -2.455 1.00 0.00 C ATOM 1193 CG LEU A 82 11.981 3.615 -3.897 1.00 0.00 C ATOM 1194 CD1 LEU A 82 10.490 3.823 -4.171 1.00 0.00 C ATOM 1195 CD2 LEU A 82 12.803 4.864 -4.223 1.00 0.00 C ATOM 0 H LEU A 82 12.456 2.672 -0.041 1.00 0.00 H new ATOM 0 HA LEU A 82 12.540 5.009 -1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 82 13.269 2.908 -2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.645 2.252 -2.283 1.00 0.00 H new ATOM 0 HG LEU A 82 12.323 2.822 -4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.351 4.143 -5.204 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.956 2.887 -4.006 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.100 4.587 -3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.617 5.163 -5.255 1.00 0.00 H new ATOM 0 HD22 LEU A 82 12.515 5.674 -3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 82 13.863 4.646 -4.094 1.00 0.00 H new ATOM 1207 N MET A 83 9.511 4.136 -0.777 1.00 0.00 N ATOM 1208 CA MET A 83 8.125 4.568 -0.813 1.00 0.00 C ATOM 1209 C MET A 83 7.873 5.686 0.201 1.00 0.00 C ATOM 1210 O MET A 83 7.018 6.543 -0.016 1.00 0.00 O ATOM 1211 CB MET A 83 7.211 3.379 -0.499 1.00 0.00 C ATOM 1212 CG MET A 83 6.190 3.164 -1.618 1.00 0.00 C ATOM 1213 SD MET A 83 4.587 2.810 -0.920 1.00 0.00 S ATOM 1214 CE MET A 83 5.078 1.991 0.588 1.00 0.00 C ATOM 0 H MET A 83 9.696 3.348 -0.156 1.00 0.00 H new ATOM 0 HA MET A 83 7.909 4.951 -1.810 1.00 0.00 H new ATOM 0 HB2 MET A 83 7.811 2.478 -0.371 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.692 3.553 0.444 1.00 0.00 H new ATOM 0 HG2 MET A 83 6.134 4.053 -2.246 1.00 0.00 H new ATOM 0 HG3 MET A 83 6.507 2.341 -2.258 1.00 0.00 H new ATOM 0 HE1 MET A 83 4.352 1.216 0.834 1.00 0.00 H new ATOM 0 HE2 MET A 83 6.061 1.539 0.453 1.00 0.00 H new ATOM 0 HE3 MET A 83 5.121 2.718 1.399 1.00 0.00 H new ATOM 1224 N THR A 84 8.635 5.641 1.284 1.00 0.00 N ATOM 1225 CA THR A 84 8.506 6.640 2.330 1.00 0.00 C ATOM 1226 C THR A 84 8.601 8.048 1.740 1.00 0.00 C ATOM 1227 O THR A 84 7.730 8.885 1.974 1.00 0.00 O ATOM 1228 CB THR A 84 9.570 6.353 3.392 1.00 0.00 C ATOM 1229 OG1 THR A 84 9.215 5.070 3.901 1.00 0.00 O ATOM 1230 CG2 THR A 84 9.450 7.279 4.605 1.00 0.00 C ATOM 0 H THR A 84 9.343 4.928 1.459 1.00 0.00 H new ATOM 0 HA THR A 84 7.527 6.588 2.807 1.00 0.00 H new ATOM 0 HB THR A 84 10.561 6.457 2.950 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.854 4.805 4.595 1.00 0.00 H new ATOM 0 HG21 THR A 84 10.228 7.034 5.328 1.00 0.00 H new ATOM 0 HG22 THR A 84 9.566 8.315 4.285 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.471 7.149 5.067 1.00 0.00 H new ATOM 1238 N ARG A 85 9.668 8.266 0.985 1.00 0.00 N ATOM 1239 CA ARG A 85 9.890 9.559 0.359 1.00 0.00 C ATOM 1240 C ARG A 85 8.879 9.784 -0.766 1.00 0.00 C ATOM 1241 O ARG A 85 9.259 10.003 -1.915 1.00 0.00 O ATOM 1242 CB ARG A 85 11.306 9.658 -0.212 1.00 0.00 C ATOM 1243 CG ARG A 85 12.269 10.256 0.815 1.00 0.00 C ATOM 1244 CD ARG A 85 12.180 11.785 0.827 1.00 0.00 C ATOM 1245 NE ARG A 85 13.275 12.362 0.015 1.00 0.00 N ATOM 1246 CZ ARG A 85 13.283 13.618 -0.449 1.00 0.00 C ATOM 1247 NH1 ARG A 85 12.256 14.437 -0.186 1.00 0.00 N ATOM 1248 NH2 ARG A 85 14.319 14.057 -1.177 1.00 0.00 N ATOM 0 H ARG A 85 10.388 7.570 0.793 1.00 0.00 H new ATOM 0 HA ARG A 85 9.764 10.324 1.125 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.653 8.668 -0.508 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.298 10.275 -1.111 1.00 0.00 H new ATOM 0 HG2 ARG A 85 12.036 9.867 1.806 1.00 0.00 H new ATOM 0 HG3 ARG A 85 13.289 9.950 0.584 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.216 12.105 0.432 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.243 12.153 1.851 1.00 0.00 H new ATOM 0 HE ARG A 85 14.073 11.766 -0.205 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.467 14.104 0.368 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.263 15.394 -0.540 1.00 0.00 H new ATOM 0 HH21 ARG A 85 15.102 13.434 -1.378 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.325 15.014 -1.530 1.00 0.00 H new ATOM 1262 N THR A 86 7.607 9.721 -0.397 1.00 0.00 N ATOM 1263 CA THR A 86 6.537 9.915 -1.360 1.00 0.00 C ATOM 1264 C THR A 86 6.285 11.408 -1.585 1.00 0.00 C ATOM 1265 O THR A 86 6.270 11.875 -2.723 1.00 0.00 O ATOM 1266 CB THR A 86 5.304 9.160 -0.858 1.00 0.00 C ATOM 1267 OG1 THR A 86 5.219 8.026 -1.717 1.00 0.00 O ATOM 1268 CG2 THR A 86 4.005 9.923 -1.117 1.00 0.00 C ATOM 0 H THR A 86 7.294 9.538 0.556 1.00 0.00 H new ATOM 0 HA THR A 86 6.807 9.512 -2.336 1.00 0.00 H new ATOM 0 HB THR A 86 5.405 8.969 0.210 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.790 7.309 -1.370 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.162 9.343 -0.742 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.040 10.885 -0.606 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.886 10.085 -2.188 1.00 0.00 H new ATOM 1276 N SER A 87 6.093 12.116 -0.481 1.00 0.00 N ATOM 1277 CA SER A 87 5.844 13.545 -0.542 1.00 0.00 C ATOM 1278 C SER A 87 5.725 13.993 -2.001 1.00 0.00 C ATOM 1279 O SER A 87 6.635 14.626 -2.537 1.00 0.00 O ATOM 1280 CB SER A 87 6.951 14.329 0.165 1.00 0.00 C ATOM 1281 OG SER A 87 6.579 14.701 1.489 1.00 0.00 O ATOM 0 H SER A 87 6.105 11.725 0.461 1.00 0.00 H new ATOM 0 HA SER A 87 4.906 13.751 -0.027 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.858 13.725 0.199 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.186 15.224 -0.411 1.00 0.00 H new ATOM 0 HG SER A 87 7.313 15.198 1.907 1.00 0.00 H new ATOM 1287 N SER A 88 4.595 13.649 -2.603 1.00 0.00 N ATOM 1288 CA SER A 88 4.345 14.008 -3.988 1.00 0.00 C ATOM 1289 C SER A 88 3.322 13.050 -4.600 1.00 0.00 C ATOM 1290 O SER A 88 2.365 13.484 -5.239 1.00 0.00 O ATOM 1291 CB SER A 88 5.641 13.992 -4.803 1.00 0.00 C ATOM 1292 OG SER A 88 6.267 15.272 -4.835 1.00 0.00 O ATOM 0 H SER A 88 3.843 13.125 -2.156 1.00 0.00 H new ATOM 0 HA SER A 88 3.944 15.021 -4.012 1.00 0.00 H new ATOM 0 HB2 SER A 88 6.329 13.262 -4.376 1.00 0.00 H new ATOM 0 HB3 SER A 88 5.425 13.668 -5.821 1.00 0.00 H new ATOM 0 HG SER A 88 6.782 15.405 -4.012 1.00 0.00 H new ATOM 1298 N VAL A 89 3.558 11.765 -4.384 1.00 0.00 N ATOM 1299 CA VAL A 89 2.668 10.742 -4.906 1.00 0.00 C ATOM 1300 C VAL A 89 3.144 9.367 -4.433 1.00 0.00 C ATOM 1301 O VAL A 89 4.344 9.097 -4.406 1.00 0.00 O ATOM 1302 CB VAL A 89 2.581 10.853 -6.429 1.00 0.00 C ATOM 1303 CG1 VAL A 89 3.766 10.151 -7.099 1.00 0.00 C ATOM 1304 CG2 VAL A 89 1.251 10.296 -6.946 1.00 0.00 C ATOM 0 H VAL A 89 4.353 11.408 -3.854 1.00 0.00 H new ATOM 0 HA VAL A 89 1.657 10.884 -4.524 1.00 0.00 H new ATOM 0 HB VAL A 89 2.626 11.910 -6.690 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.680 10.245 -8.182 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.697 10.612 -6.768 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.766 9.096 -6.825 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.216 10.387 -8.032 1.00 0.00 H new ATOM 0 HG22 VAL A 89 1.163 9.246 -6.667 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.426 10.858 -6.508 1.00 0.00 H new ATOM 1314 N VAL A 90 2.179 8.535 -4.071 1.00 0.00 N ATOM 1315 CA VAL A 90 2.485 7.194 -3.600 1.00 0.00 C ATOM 1316 C VAL A 90 1.601 6.186 -4.335 1.00 0.00 C ATOM 1317 O VAL A 90 0.457 6.488 -4.674 1.00 0.00 O ATOM 1318 CB VAL A 90 2.331 7.127 -2.079 1.00 0.00 C ATOM 1319 CG1 VAL A 90 0.875 6.866 -1.685 1.00 0.00 C ATOM 1320 CG2 VAL A 90 3.260 6.067 -1.481 1.00 0.00 C ATOM 0 H VAL A 90 1.185 8.763 -4.094 1.00 0.00 H new ATOM 0 HA VAL A 90 3.521 6.938 -3.821 1.00 0.00 H new ATOM 0 HB VAL A 90 2.619 8.095 -1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.794 6.823 -0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.246 7.671 -2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.547 5.918 -2.111 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.131 6.039 -0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.016 5.091 -1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.295 6.315 -1.717 1.00 0.00 H new ATOM 1330 N THR A 91 2.164 5.007 -4.561 1.00 0.00 N ATOM 1331 CA THR A 91 1.440 3.952 -5.250 1.00 0.00 C ATOM 1332 C THR A 91 1.960 2.579 -4.820 1.00 0.00 C ATOM 1333 O THR A 91 3.150 2.420 -4.551 1.00 0.00 O ATOM 1334 CB THR A 91 1.559 4.202 -6.755 1.00 0.00 C ATOM 1335 OG1 THR A 91 2.960 4.124 -7.010 1.00 0.00 O ATOM 1336 CG2 THR A 91 1.191 5.636 -7.141 1.00 0.00 C ATOM 0 H THR A 91 3.113 4.760 -4.279 1.00 0.00 H new ATOM 0 HA THR A 91 0.382 3.961 -4.986 1.00 0.00 H new ATOM 0 HB THR A 91 0.915 3.505 -7.291 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.128 4.273 -7.964 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.292 5.760 -8.219 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.161 5.839 -6.848 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.857 6.332 -6.632 1.00 0.00 H new ATOM 1344 N LEU A 92 1.043 1.626 -4.767 1.00 0.00 N ATOM 1345 CA LEU A 92 1.395 0.270 -4.373 1.00 0.00 C ATOM 1346 C LEU A 92 0.435 -0.715 -5.043 1.00 0.00 C ATOM 1347 O LEU A 92 -0.613 -0.320 -5.550 1.00 0.00 O ATOM 1348 CB LEU A 92 1.436 0.149 -2.848 1.00 0.00 C ATOM 1349 CG LEU A 92 2.225 1.232 -2.111 1.00 0.00 C ATOM 1350 CD1 LEU A 92 1.463 2.559 -2.102 1.00 0.00 C ATOM 1351 CD2 LEU A 92 2.596 0.774 -0.699 1.00 0.00 C ATOM 0 H LEU A 92 0.057 1.764 -4.990 1.00 0.00 H new ATOM 0 HA LEU A 92 2.399 0.021 -4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.412 0.156 -2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.862 -0.821 -2.592 1.00 0.00 H new ATOM 0 HG LEU A 92 3.157 1.402 -2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.047 3.311 -1.571 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.294 2.888 -3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.504 2.425 -1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.156 1.562 -0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.688 0.559 -0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.208 -0.126 -0.757 1.00 0.00 H new ATOM 1363 N GLU A 93 0.828 -1.981 -5.022 1.00 0.00 N ATOM 1364 CA GLU A 93 0.017 -3.027 -5.621 1.00 0.00 C ATOM 1365 C GLU A 93 -0.583 -3.921 -4.535 1.00 0.00 C ATOM 1366 O GLU A 93 0.144 -4.632 -3.841 1.00 0.00 O ATOM 1367 CB GLU A 93 0.833 -3.849 -6.622 1.00 0.00 C ATOM 1368 CG GLU A 93 -0.068 -4.446 -7.704 1.00 0.00 C ATOM 1369 CD GLU A 93 0.763 -5.048 -8.837 1.00 0.00 C ATOM 1370 OE1 GLU A 93 1.393 -6.097 -8.583 1.00 0.00 O ATOM 1371 OE2 GLU A 93 0.750 -4.445 -9.933 1.00 0.00 O ATOM 0 H GLU A 93 1.698 -2.305 -4.599 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.800 -2.558 -6.169 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.592 -3.217 -7.083 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.358 -4.648 -6.099 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.706 -5.215 -7.268 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.726 -3.673 -8.102 1.00 0.00 H new ATOM 1378 N VAL A 94 -1.901 -3.857 -4.421 1.00 0.00 N ATOM 1379 CA VAL A 94 -2.605 -4.653 -3.429 1.00 0.00 C ATOM 1380 C VAL A 94 -3.294 -5.829 -4.125 1.00 0.00 C ATOM 1381 O VAL A 94 -3.479 -5.816 -5.341 1.00 0.00 O ATOM 1382 CB VAL A 94 -3.576 -3.770 -2.644 1.00 0.00 C ATOM 1383 CG1 VAL A 94 -2.868 -2.527 -2.098 1.00 0.00 C ATOM 1384 CG2 VAL A 94 -4.782 -3.380 -3.502 1.00 0.00 C ATOM 0 H VAL A 94 -2.500 -3.267 -4.998 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.906 -5.068 -2.703 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.942 -4.349 -1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.581 -1.916 -1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.058 -2.831 -1.435 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.460 -1.947 -2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.456 -2.752 -2.919 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.442 -2.830 -4.379 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.309 -4.280 -3.820 1.00 0.00 H new ATOM 1394 N ALA A 95 -3.658 -6.818 -3.321 1.00 0.00 N ATOM 1395 CA ALA A 95 -4.322 -8.001 -3.843 1.00 0.00 C ATOM 1396 C ALA A 95 -5.238 -8.583 -2.762 1.00 0.00 C ATOM 1397 O ALA A 95 -4.912 -8.541 -1.578 1.00 0.00 O ATOM 1398 CB ALA A 95 -3.275 -9.005 -4.324 1.00 0.00 C ATOM 0 H ALA A 95 -3.506 -6.824 -2.312 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.944 -7.746 -4.701 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.774 -9.892 -4.715 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.671 -8.552 -5.110 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.633 -9.288 -3.490 1.00 0.00 H new