USER MOD reduce.3.24.130724 H: found=0, std=0, add=370, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 372 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 169 SER OG : rot 180:sc= -0.0939 USER MOD Set 1.2: A 170 THR OG1 : rot 180:sc= 0 USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 176 ASN : amide:sc= 0.309 K(o=0.31,f=-4.2!) USER MOD Single : A 178 THR OG1 : rot -4:sc= 0.433 USER MOD Single : A 183 SER OG : rot -33:sc= 0.579 USER MOD Single : A 185 TYR OH : rot 180:sc= 0 USER MOD Single : A 205 THR OG1 : rot 35:sc= 0.136 USER MOD Single : A 209 MET CE :methyl -162:sc= -0.116 (180deg=-0.607) USER MOD Single : A 214 SER OG : rot 1:sc= 0.382 USER MOD Single : A 216 LYS NZ :NH3+ 156:sc= -0.0258 (180deg=-0.581) USER MOD ----------------------------------------------------------------- ATOM 89 N ALA A 168 -15.567 10.598 -0.787 1.00 0.00 N ATOM 90 CA ALA A 168 -14.409 10.724 0.119 1.00 0.00 C ATOM 91 C ALA A 168 -14.232 9.504 1.028 1.00 0.00 C ATOM 92 O ALA A 168 -13.118 9.016 1.213 1.00 0.00 O ATOM 93 CB ALA A 168 -14.585 11.982 0.993 1.00 0.00 C ATOM 0 HA ALA A 168 -13.517 10.799 -0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 168 -13.732 12.081 1.665 1.00 0.00 H new ATOM 0 HB2 ALA A 168 -14.647 12.863 0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 168 -15.500 11.893 1.579 1.00 0.00 H new ATOM 99 N SER A 169 -15.332 9.001 1.595 1.00 0.00 N ATOM 100 CA SER A 169 -15.286 7.856 2.523 1.00 0.00 C ATOM 101 C SER A 169 -14.520 6.656 1.944 1.00 0.00 C ATOM 102 O SER A 169 -13.468 6.270 2.454 1.00 0.00 O ATOM 103 CB SER A 169 -16.734 7.445 2.885 1.00 0.00 C ATOM 104 OG SER A 169 -17.486 7.152 1.700 1.00 0.00 O ATOM 0 H SER A 169 -16.270 9.366 1.430 1.00 0.00 H new ATOM 0 HA SER A 169 -14.745 8.168 3.416 1.00 0.00 H new ATOM 0 HB2 SER A 169 -16.718 6.572 3.537 1.00 0.00 H new ATOM 0 HB3 SER A 169 -17.218 8.249 3.440 1.00 0.00 H new ATOM 0 HG SER A 169 -18.398 6.892 1.947 1.00 0.00 H new ATOM 110 N THR A 170 -15.021 6.079 0.851 1.00 0.00 N ATOM 111 CA THR A 170 -14.432 4.854 0.288 1.00 0.00 C ATOM 112 C THR A 170 -13.119 5.169 -0.437 1.00 0.00 C ATOM 113 O THR A 170 -12.128 4.455 -0.283 1.00 0.00 O ATOM 114 CB THR A 170 -15.450 4.215 -0.681 1.00 0.00 C ATOM 115 OG1 THR A 170 -16.722 4.118 -0.028 1.00 0.00 O ATOM 116 CG2 THR A 170 -15.027 2.801 -1.131 1.00 0.00 C ATOM 0 H THR A 170 -15.828 6.434 0.338 1.00 0.00 H new ATOM 0 HA THR A 170 -14.205 4.155 1.092 1.00 0.00 H new ATOM 0 HB THR A 170 -15.501 4.851 -1.564 1.00 0.00 H new ATOM 0 HG1 THR A 170 -17.373 3.714 -0.639 1.00 0.00 H new ATOM 0 HG21 THR A 170 -15.776 2.396 -1.811 1.00 0.00 H new ATOM 0 HG22 THR A 170 -14.065 2.854 -1.641 1.00 0.00 H new ATOM 0 HG23 THR A 170 -14.940 2.153 -0.259 1.00 0.00 H new ATOM 124 N PHE A 171 -13.098 6.251 -1.221 1.00 0.00 N ATOM 125 CA PHE A 171 -11.922 6.616 -2.029 1.00 0.00 C ATOM 126 C PHE A 171 -10.678 6.835 -1.163 1.00 0.00 C ATOM 127 O PHE A 171 -9.592 6.378 -1.511 1.00 0.00 O ATOM 128 CB PHE A 171 -12.217 7.903 -2.836 1.00 0.00 C ATOM 129 CG PHE A 171 -11.237 8.234 -3.895 1.00 0.00 C ATOM 130 CD1 PHE A 171 -10.314 7.293 -4.369 1.00 0.00 C ATOM 131 CD2 PHE A 171 -11.310 9.490 -4.508 1.00 0.00 C ATOM 132 CE1 PHE A 171 -9.474 7.605 -5.440 1.00 0.00 C ATOM 133 CE2 PHE A 171 -10.471 9.802 -5.582 1.00 0.00 C ATOM 134 CZ PHE A 171 -9.552 8.860 -6.047 1.00 0.00 C ATOM 0 H PHE A 171 -13.884 6.894 -1.316 1.00 0.00 H new ATOM 0 HA PHE A 171 -11.720 5.786 -2.706 1.00 0.00 H new ATOM 0 HB2 PHE A 171 -13.201 7.805 -3.295 1.00 0.00 H new ATOM 0 HB3 PHE A 171 -12.271 8.741 -2.141 1.00 0.00 H new ATOM 0 HD1 PHE A 171 -10.252 6.320 -3.903 1.00 0.00 H new ATOM 0 HD2 PHE A 171 -12.018 10.222 -4.149 1.00 0.00 H new ATOM 0 HE1 PHE A 171 -8.764 6.875 -5.799 1.00 0.00 H new ATOM 0 HE2 PHE A 171 -10.534 10.772 -6.052 1.00 0.00 H new ATOM 0 HZ PHE A 171 -8.902 9.101 -6.875 1.00 0.00 H new ATOM 144 N LYS A 172 -10.802 7.549 -0.038 1.00 0.00 N ATOM 145 CA LYS A 172 -9.655 7.779 0.860 1.00 0.00 C ATOM 146 C LYS A 172 -9.037 6.451 1.313 1.00 0.00 C ATOM 147 O LYS A 172 -7.823 6.259 1.228 1.00 0.00 O ATOM 148 CB LYS A 172 -10.125 8.587 2.090 1.00 0.00 C ATOM 149 CG LYS A 172 -8.974 8.947 3.055 1.00 0.00 C ATOM 150 CD LYS A 172 -9.464 9.757 4.270 1.00 0.00 C ATOM 151 CE LYS A 172 -8.317 10.109 5.239 1.00 0.00 C ATOM 152 NZ LYS A 172 -8.840 10.905 6.358 1.00 0.00 N ATOM 0 H LYS A 172 -11.675 7.975 0.274 1.00 0.00 H new ATOM 0 HA LYS A 172 -8.893 8.339 0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 172 -10.608 9.504 1.752 1.00 0.00 H new ATOM 0 HB3 LYS A 172 -10.877 8.011 2.630 1.00 0.00 H new ATOM 0 HG2 LYS A 172 -8.493 8.032 3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 172 -8.219 9.521 2.518 1.00 0.00 H new ATOM 0 HD2 LYS A 172 -9.939 10.675 3.924 1.00 0.00 H new ATOM 0 HD3 LYS A 172 -10.224 9.185 4.802 1.00 0.00 H new ATOM 0 HE2 LYS A 172 -7.853 9.197 5.615 1.00 0.00 H new ATOM 0 HE3 LYS A 172 -7.543 10.668 4.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 172 -8.064 11.140 7.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 172 -9.263 11.782 5.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 172 -9.564 10.357 6.866 1.00 0.00 H new ATOM 166 N VAL A 173 -9.875 5.532 1.804 1.00 0.00 N ATOM 167 CA VAL A 173 -9.407 4.194 2.206 1.00 0.00 C ATOM 168 C VAL A 173 -8.660 3.515 1.048 1.00 0.00 C ATOM 169 O VAL A 173 -7.514 3.098 1.202 1.00 0.00 O ATOM 170 CB VAL A 173 -10.611 3.332 2.669 1.00 0.00 C ATOM 171 CG1 VAL A 173 -10.183 1.905 3.081 1.00 0.00 C ATOM 172 CG2 VAL A 173 -11.373 4.004 3.834 1.00 0.00 C ATOM 0 H VAL A 173 -10.875 5.685 1.934 1.00 0.00 H new ATOM 0 HA VAL A 173 -8.712 4.296 3.039 1.00 0.00 H new ATOM 0 HB VAL A 173 -11.277 3.252 1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 173 -11.059 1.339 3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 173 -9.716 1.406 2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 173 -9.471 1.962 3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 173 -12.210 3.373 4.133 1.00 0.00 H new ATOM 0 HG22 VAL A 173 -10.699 4.138 4.680 1.00 0.00 H new ATOM 0 HG23 VAL A 173 -11.748 4.975 3.511 1.00 0.00 H new ATOM 182 N LEU A 174 -9.297 3.431 -0.124 1.00 0.00 N ATOM 183 CA LEU A 174 -8.700 2.813 -1.326 1.00 0.00 C ATOM 184 C LEU A 174 -7.300 3.377 -1.604 1.00 0.00 C ATOM 185 O LEU A 174 -6.319 2.635 -1.645 1.00 0.00 O ATOM 186 CB LEU A 174 -9.646 3.106 -2.519 1.00 0.00 C ATOM 187 CG LEU A 174 -9.373 2.331 -3.835 1.00 0.00 C ATOM 188 CD1 LEU A 174 -10.484 2.634 -4.862 1.00 0.00 C ATOM 189 CD2 LEU A 174 -7.985 2.599 -4.464 1.00 0.00 C ATOM 0 H LEU A 174 -10.241 3.788 -0.273 1.00 0.00 H new ATOM 0 HA LEU A 174 -8.588 1.739 -1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -10.667 2.891 -2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -9.598 4.173 -2.737 1.00 0.00 H new ATOM 0 HG LEU A 174 -9.374 1.275 -3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -10.286 2.087 -5.784 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -11.448 2.326 -4.457 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -10.504 3.703 -5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -7.882 2.016 -5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -7.890 3.660 -4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -7.205 2.310 -3.760 1.00 0.00 H new ATOM 201 N ARG A 175 -7.203 4.699 -1.768 1.00 0.00 N ATOM 202 CA ARG A 175 -5.933 5.388 -2.062 1.00 0.00 C ATOM 203 C ARG A 175 -4.846 4.956 -1.076 1.00 0.00 C ATOM 204 O ARG A 175 -3.804 4.428 -1.465 1.00 0.00 O ATOM 205 CB ARG A 175 -6.173 6.915 -1.914 1.00 0.00 C ATOM 206 CG ARG A 175 -5.045 7.837 -2.445 1.00 0.00 C ATOM 207 CD ARG A 175 -3.641 7.641 -1.820 1.00 0.00 C ATOM 208 NE ARG A 175 -3.650 7.774 -0.348 1.00 0.00 N ATOM 209 CZ ARG A 175 -3.864 8.935 0.271 1.00 0.00 C ATOM 210 NH1 ARG A 175 -4.169 10.038 -0.413 1.00 0.00 N ATOM 211 NH2 ARG A 175 -3.772 8.989 1.599 1.00 0.00 N ATOM 0 H ARG A 175 -8.003 5.328 -1.701 1.00 0.00 H new ATOM 0 HA ARG A 175 -5.605 5.137 -3.071 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -7.097 7.169 -2.433 1.00 0.00 H new ATOM 0 HB3 ARG A 175 -6.329 7.137 -0.858 1.00 0.00 H new ATOM 0 HG2 ARG A 175 -4.963 7.690 -3.522 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -5.348 8.872 -2.287 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -3.262 6.655 -2.090 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -2.954 8.374 -2.243 1.00 0.00 H new ATOM 0 HE ARG A 175 -3.485 6.942 0.218 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -4.242 10.004 -1.430 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -4.329 10.916 0.080 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -3.540 8.149 2.129 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -3.933 9.871 2.086 1.00 0.00 H new ATOM 225 N ASN A 176 -5.100 5.157 0.217 1.00 0.00 N ATOM 226 CA ASN A 176 -4.087 4.888 1.249 1.00 0.00 C ATOM 227 C ASN A 176 -3.627 3.426 1.206 1.00 0.00 C ATOM 228 O ASN A 176 -2.430 3.145 1.168 1.00 0.00 O ATOM 229 CB ASN A 176 -4.673 5.233 2.633 1.00 0.00 C ATOM 230 CG ASN A 176 -3.530 5.609 3.574 1.00 0.00 C ATOM 231 OD1 ASN A 176 -2.864 6.627 3.383 1.00 0.00 O ATOM 232 ND2 ASN A 176 -3.276 4.799 4.596 1.00 0.00 N ATOM 0 H ASN A 176 -5.990 5.502 0.577 1.00 0.00 H new ATOM 0 HA ASN A 176 -3.213 5.510 1.058 1.00 0.00 H new ATOM 0 HB2 ASN A 176 -5.379 6.059 2.548 1.00 0.00 H new ATOM 0 HB3 ASN A 176 -5.225 4.382 3.032 1.00 0.00 H new ATOM 0 HD21 ASN A 176 -2.516 5.015 5.242 1.00 0.00 H new ATOM 0 HD22 ASN A 176 -3.841 3.961 4.735 1.00 0.00 H new ATOM 239 N VAL A 177 -4.575 2.486 1.187 1.00 0.00 N ATOM 240 CA VAL A 177 -4.260 1.046 1.129 1.00 0.00 C ATOM 241 C VAL A 177 -3.367 0.693 -0.068 1.00 0.00 C ATOM 242 O VAL A 177 -2.310 0.089 0.107 1.00 0.00 O ATOM 243 CB VAL A 177 -5.587 0.245 1.078 1.00 0.00 C ATOM 244 CG1 VAL A 177 -5.360 -1.253 0.770 1.00 0.00 C ATOM 245 CG2 VAL A 177 -6.369 0.388 2.404 1.00 0.00 C ATOM 0 H VAL A 177 -5.574 2.692 1.211 1.00 0.00 H new ATOM 0 HA VAL A 177 -3.697 0.780 2.024 1.00 0.00 H new ATOM 0 HB VAL A 177 -6.173 0.669 0.263 1.00 0.00 H new ATOM 0 HG11 VAL A 177 -6.320 -1.769 0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 177 -4.868 -1.355 -0.197 1.00 0.00 H new ATOM 0 HG13 VAL A 177 -4.732 -1.693 1.545 1.00 0.00 H new ATOM 0 HG21 VAL A 177 -7.296 -0.183 2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 177 -5.763 0.009 3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 177 -6.601 1.439 2.578 1.00 0.00 H new ATOM 255 N THR A 178 -3.775 1.056 -1.286 1.00 0.00 N ATOM 256 CA THR A 178 -2.983 0.739 -2.490 1.00 0.00 C ATOM 257 C THR A 178 -1.547 1.270 -2.384 1.00 0.00 C ATOM 258 O THR A 178 -0.589 0.524 -2.585 1.00 0.00 O ATOM 259 CB THR A 178 -3.677 1.271 -3.768 1.00 0.00 C ATOM 260 OG1 THR A 178 -4.043 2.642 -3.599 1.00 0.00 O ATOM 261 CG2 THR A 178 -4.936 0.460 -4.136 1.00 0.00 C ATOM 0 H THR A 178 -4.640 1.565 -1.470 1.00 0.00 H new ATOM 0 HA THR A 178 -2.924 -0.347 -2.562 1.00 0.00 H new ATOM 0 HB THR A 178 -2.958 1.167 -4.580 1.00 0.00 H new ATOM 0 HG1 THR A 178 -3.828 2.928 -2.686 1.00 0.00 H new ATOM 0 HG21 THR A 178 -5.384 0.874 -5.039 1.00 0.00 H new ATOM 0 HG22 THR A 178 -4.660 -0.580 -4.312 1.00 0.00 H new ATOM 0 HG23 THR A 178 -5.654 0.512 -3.318 1.00 0.00 H new ATOM 269 N VAL A 179 -1.380 2.550 -2.042 1.00 0.00 N ATOM 270 CA VAL A 179 -0.038 3.139 -1.867 1.00 0.00 C ATOM 271 C VAL A 179 0.822 2.311 -0.896 1.00 0.00 C ATOM 272 O VAL A 179 1.957 1.950 -1.209 1.00 0.00 O ATOM 273 CB VAL A 179 -0.174 4.602 -1.375 1.00 0.00 C ATOM 274 CG1 VAL A 179 1.184 5.228 -0.985 1.00 0.00 C ATOM 275 CG2 VAL A 179 -0.858 5.479 -2.447 1.00 0.00 C ATOM 0 H VAL A 179 -2.149 3.200 -1.880 1.00 0.00 H new ATOM 0 HA VAL A 179 0.471 3.131 -2.831 1.00 0.00 H new ATOM 0 HB VAL A 179 -0.793 4.568 -0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 179 1.029 6.253 -0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 179 1.635 4.646 -0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 179 1.847 5.227 -1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 179 -0.943 6.502 -2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 179 -0.262 5.469 -3.360 1.00 0.00 H new ATOM 0 HG23 VAL A 179 -1.852 5.086 -2.659 1.00 0.00 H new ATOM 285 N VAL A 180 0.285 2.003 0.287 1.00 0.00 N ATOM 286 CA VAL A 180 1.009 1.175 1.271 1.00 0.00 C ATOM 287 C VAL A 180 1.432 -0.176 0.679 1.00 0.00 C ATOM 288 O VAL A 180 2.598 -0.548 0.771 1.00 0.00 O ATOM 289 CB VAL A 180 0.141 0.983 2.542 1.00 0.00 C ATOM 290 CG1 VAL A 180 0.794 0.002 3.542 1.00 0.00 C ATOM 291 CG2 VAL A 180 -0.115 2.332 3.248 1.00 0.00 C ATOM 0 H VAL A 180 -0.640 2.308 0.591 1.00 0.00 H new ATOM 0 HA VAL A 180 1.924 1.699 1.546 1.00 0.00 H new ATOM 0 HB VAL A 180 -0.808 0.561 2.211 1.00 0.00 H new ATOM 0 HG11 VAL A 180 0.154 -0.104 4.418 1.00 0.00 H new ATOM 0 HG12 VAL A 180 0.923 -0.970 3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 180 1.766 0.388 3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -0.726 2.168 4.136 1.00 0.00 H new ATOM 0 HG22 VAL A 180 0.837 2.776 3.539 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -0.637 3.005 2.568 1.00 0.00 H new ATOM 301 N LEU A 181 0.512 -0.925 0.065 1.00 0.00 N ATOM 302 CA LEU A 181 0.857 -2.227 -0.547 1.00 0.00 C ATOM 303 C LEU A 181 2.034 -2.115 -1.527 1.00 0.00 C ATOM 304 O LEU A 181 2.977 -2.905 -1.480 1.00 0.00 O ATOM 305 CB LEU A 181 -0.369 -2.814 -1.283 1.00 0.00 C ATOM 306 CG LEU A 181 -1.539 -3.209 -0.350 1.00 0.00 C ATOM 307 CD1 LEU A 181 -2.755 -3.685 -1.174 1.00 0.00 C ATOM 308 CD2 LEU A 181 -1.122 -4.282 0.682 1.00 0.00 C ATOM 0 H LEU A 181 -0.470 -0.663 -0.025 1.00 0.00 H new ATOM 0 HA LEU A 181 1.158 -2.890 0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 181 -0.728 -2.083 -2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 181 -0.055 -3.693 -1.845 1.00 0.00 H new ATOM 0 HG LEU A 181 -1.823 -2.318 0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 181 -3.567 -3.958 -0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 181 -3.085 -2.882 -1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 181 -2.473 -4.552 -1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 181 -1.974 -4.528 1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 181 -0.787 -5.178 0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 181 -0.311 -3.897 1.300 1.00 0.00 H new ATOM 320 N TRP A 182 1.978 -1.131 -2.426 1.00 0.00 N ATOM 321 CA TRP A 182 3.072 -0.881 -3.383 1.00 0.00 C ATOM 322 C TRP A 182 4.422 -0.663 -2.689 1.00 0.00 C ATOM 323 O TRP A 182 5.402 -1.328 -3.022 1.00 0.00 O ATOM 324 CB TRP A 182 2.718 0.339 -4.259 1.00 0.00 C ATOM 325 CG TRP A 182 1.699 -0.061 -5.333 1.00 0.00 C ATOM 326 CD1 TRP A 182 0.444 -0.663 -5.135 1.00 0.00 C ATOM 327 CD2 TRP A 182 1.807 0.121 -6.724 1.00 0.00 C ATOM 328 NE1 TRP A 182 -0.209 -0.834 -6.315 1.00 0.00 N ATOM 329 CE2 TRP A 182 0.606 -0.365 -7.304 1.00 0.00 C ATOM 330 CE3 TRP A 182 2.809 0.654 -7.538 1.00 0.00 C ATOM 331 CZ2 TRP A 182 0.443 -0.305 -8.689 1.00 0.00 C ATOM 332 CZ3 TRP A 182 2.631 0.708 -8.921 1.00 0.00 C ATOM 333 CH2 TRP A 182 1.451 0.229 -9.496 1.00 0.00 C ATOM 0 H TRP A 182 1.189 -0.491 -2.516 1.00 0.00 H new ATOM 0 HA TRP A 182 3.178 -1.770 -4.005 1.00 0.00 H new ATOM 0 HB2 TRP A 182 2.309 1.136 -3.638 1.00 0.00 H new ATOM 0 HB3 TRP A 182 3.619 0.732 -4.730 1.00 0.00 H new ATOM 0 HD1 TRP A 182 0.050 -0.952 -4.172 1.00 0.00 H new ATOM 0 HE1 TRP A 182 -1.137 -1.238 -6.438 1.00 0.00 H new ATOM 0 HE3 TRP A 182 3.722 1.025 -7.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 182 -0.467 -0.673 -9.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 182 3.407 1.121 -9.548 1.00 0.00 H new ATOM 0 HH2 TRP A 182 1.318 0.272 -10.567 1.00 0.00 H new ATOM 344 N SER A 183 4.500 0.258 -1.725 1.00 0.00 N ATOM 345 CA SER A 183 5.773 0.514 -1.020 1.00 0.00 C ATOM 346 C SER A 183 6.271 -0.747 -0.292 1.00 0.00 C ATOM 347 O SER A 183 7.457 -1.073 -0.299 1.00 0.00 O ATOM 348 CB SER A 183 5.624 1.708 -0.045 1.00 0.00 C ATOM 349 OG SER A 183 4.796 1.381 1.077 1.00 0.00 O ATOM 0 H SER A 183 3.717 0.833 -1.414 1.00 0.00 H new ATOM 0 HA SER A 183 6.526 0.777 -1.763 1.00 0.00 H new ATOM 0 HB2 SER A 183 6.609 2.014 0.308 1.00 0.00 H new ATOM 0 HB3 SER A 183 5.197 2.559 -0.576 1.00 0.00 H new ATOM 0 HG SER A 183 4.097 0.754 0.796 1.00 0.00 H new ATOM 355 N ALA A 184 5.345 -1.459 0.348 1.00 0.00 N ATOM 356 CA ALA A 184 5.636 -2.718 1.050 1.00 0.00 C ATOM 357 C ALA A 184 6.138 -3.841 0.132 1.00 0.00 C ATOM 358 O ALA A 184 6.695 -4.818 0.627 1.00 0.00 O ATOM 359 CB ALA A 184 4.352 -3.190 1.763 1.00 0.00 C ATOM 0 H ALA A 184 4.365 -1.181 0.397 1.00 0.00 H new ATOM 0 HA ALA A 184 6.442 -2.510 1.753 1.00 0.00 H new ATOM 0 HB1 ALA A 184 4.550 -4.124 2.289 1.00 0.00 H new ATOM 0 HB2 ALA A 184 4.033 -2.431 2.478 1.00 0.00 H new ATOM 0 HB3 ALA A 184 3.564 -3.349 1.027 1.00 0.00 H new ATOM 365 N TYR A 185 5.955 -3.755 -1.192 1.00 0.00 N ATOM 366 CA TYR A 185 6.382 -4.847 -2.089 1.00 0.00 C ATOM 367 C TYR A 185 7.898 -5.109 -1.967 1.00 0.00 C ATOM 368 O TYR A 185 8.295 -6.213 -1.594 1.00 0.00 O ATOM 369 CB TYR A 185 5.979 -4.530 -3.556 1.00 0.00 C ATOM 370 CG TYR A 185 6.292 -5.578 -4.556 1.00 0.00 C ATOM 371 CD1 TYR A 185 6.652 -6.876 -4.173 1.00 0.00 C ATOM 372 CD2 TYR A 185 6.217 -5.262 -5.917 1.00 0.00 C ATOM 373 CE1 TYR A 185 6.954 -7.838 -5.137 1.00 0.00 C ATOM 374 CE2 TYR A 185 6.516 -6.227 -6.883 1.00 0.00 C ATOM 375 CZ TYR A 185 6.888 -7.515 -6.493 1.00 0.00 C ATOM 376 OH TYR A 185 7.192 -8.472 -7.440 1.00 0.00 O ATOM 0 H TYR A 185 5.524 -2.960 -1.663 1.00 0.00 H new ATOM 0 HA TYR A 185 5.870 -5.760 -1.785 1.00 0.00 H new ATOM 0 HB2 TYR A 185 4.906 -4.338 -3.584 1.00 0.00 H new ATOM 0 HB3 TYR A 185 6.476 -3.608 -3.857 1.00 0.00 H new ATOM 0 HD1 TYR A 185 6.696 -7.134 -3.125 1.00 0.00 H new ATOM 0 HD2 TYR A 185 5.927 -4.268 -6.223 1.00 0.00 H new ATOM 0 HE1 TYR A 185 7.239 -8.834 -4.833 1.00 0.00 H new ATOM 0 HE2 TYR A 185 6.459 -5.976 -7.932 1.00 0.00 H new ATOM 0 HH TYR A 185 7.097 -8.087 -8.336 1.00 0.00 H new ATOM 386 N PRO A 186 8.782 -4.136 -2.245 1.00 0.00 N ATOM 387 CA PRO A 186 10.236 -4.301 -2.067 1.00 0.00 C ATOM 388 C PRO A 186 10.639 -4.570 -0.614 1.00 0.00 C ATOM 389 O PRO A 186 11.649 -5.223 -0.366 1.00 0.00 O ATOM 390 CB PRO A 186 10.840 -2.984 -2.579 1.00 0.00 C ATOM 391 CG PRO A 186 9.709 -1.982 -2.400 1.00 0.00 C ATOM 392 CD PRO A 186 8.467 -2.800 -2.772 1.00 0.00 C ATOM 0 HA PRO A 186 10.599 -5.173 -2.611 1.00 0.00 H new ATOM 0 HB2 PRO A 186 11.723 -2.699 -2.008 1.00 0.00 H new ATOM 0 HB3 PRO A 186 11.146 -3.062 -3.622 1.00 0.00 H new ATOM 0 HG2 PRO A 186 9.657 -1.610 -1.377 1.00 0.00 H new ATOM 0 HG3 PRO A 186 9.831 -1.115 -3.049 1.00 0.00 H new ATOM 0 HD2 PRO A 186 7.564 -2.390 -2.320 1.00 0.00 H new ATOM 0 HD3 PRO A 186 8.304 -2.819 -3.850 1.00 0.00 H new ATOM 400 N VAL A 187 9.895 -4.040 0.362 1.00 0.00 N ATOM 401 CA VAL A 187 10.145 -4.373 1.780 1.00 0.00 C ATOM 402 C VAL A 187 10.047 -5.893 2.007 1.00 0.00 C ATOM 403 O VAL A 187 10.989 -6.528 2.482 1.00 0.00 O ATOM 404 CB VAL A 187 9.130 -3.619 2.680 1.00 0.00 C ATOM 405 CG1 VAL A 187 9.352 -3.903 4.181 1.00 0.00 C ATOM 406 CG2 VAL A 187 9.155 -2.097 2.419 1.00 0.00 C ATOM 0 H VAL A 187 9.126 -3.389 0.207 1.00 0.00 H new ATOM 0 HA VAL A 187 11.155 -4.059 2.044 1.00 0.00 H new ATOM 0 HB VAL A 187 8.145 -4.001 2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 187 8.617 -3.352 4.768 1.00 0.00 H new ATOM 0 HG12 VAL A 187 9.241 -4.971 4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 187 10.355 -3.587 4.467 1.00 0.00 H new ATOM 0 HG21 VAL A 187 8.431 -1.605 3.068 1.00 0.00 H new ATOM 0 HG22 VAL A 187 10.152 -1.708 2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 187 8.900 -1.902 1.377 1.00 0.00 H new ATOM 416 N VAL A 188 8.903 -6.485 1.652 1.00 0.00 N ATOM 417 CA VAL A 188 8.684 -7.939 1.772 1.00 0.00 C ATOM 418 C VAL A 188 9.731 -8.728 0.976 1.00 0.00 C ATOM 419 O VAL A 188 10.249 -9.739 1.450 1.00 0.00 O ATOM 420 CB VAL A 188 7.247 -8.291 1.300 1.00 0.00 C ATOM 421 CG1 VAL A 188 7.001 -9.817 1.251 1.00 0.00 C ATOM 422 CG2 VAL A 188 6.186 -7.628 2.207 1.00 0.00 C ATOM 0 H VAL A 188 8.103 -5.977 1.274 1.00 0.00 H new ATOM 0 HA VAL A 188 8.793 -8.222 2.819 1.00 0.00 H new ATOM 0 HB VAL A 188 7.153 -7.901 0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 188 5.982 -10.011 0.915 1.00 0.00 H new ATOM 0 HG12 VAL A 188 7.705 -10.277 0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 188 7.142 -10.240 2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 188 5.189 -7.891 1.853 1.00 0.00 H new ATOM 0 HG22 VAL A 188 6.312 -7.979 3.231 1.00 0.00 H new ATOM 0 HG23 VAL A 188 6.307 -6.545 2.177 1.00 0.00 H new ATOM 432 N TRP A 189 10.029 -8.287 -0.249 1.00 0.00 N ATOM 433 CA TRP A 189 11.108 -8.890 -1.048 1.00 0.00 C ATOM 434 C TRP A 189 12.412 -8.969 -0.244 1.00 0.00 C ATOM 435 O TRP A 189 12.942 -10.053 -0.012 1.00 0.00 O ATOM 436 CB TRP A 189 11.334 -8.031 -2.312 1.00 0.00 C ATOM 437 CG TRP A 189 12.572 -8.534 -3.055 1.00 0.00 C ATOM 438 CD1 TRP A 189 12.688 -9.723 -3.793 1.00 0.00 C ATOM 439 CD2 TRP A 189 13.849 -7.949 -3.075 1.00 0.00 C ATOM 440 NE1 TRP A 189 13.957 -9.885 -4.255 1.00 0.00 N ATOM 441 CE2 TRP A 189 14.687 -8.812 -3.828 1.00 0.00 C ATOM 442 CE3 TRP A 189 14.372 -6.784 -2.508 1.00 0.00 C ATOM 443 CZ2 TRP A 189 16.029 -8.472 -4.006 1.00 0.00 C ATOM 444 CZ3 TRP A 189 15.718 -6.463 -2.689 1.00 0.00 C ATOM 445 CH2 TRP A 189 16.543 -7.303 -3.440 1.00 0.00 C ATOM 0 H TRP A 189 9.543 -7.518 -0.711 1.00 0.00 H new ATOM 0 HA TRP A 189 10.816 -9.903 -1.324 1.00 0.00 H new ATOM 0 HB2 TRP A 189 10.460 -8.084 -2.962 1.00 0.00 H new ATOM 0 HB3 TRP A 189 11.463 -6.985 -2.035 1.00 0.00 H new ATOM 0 HD1 TRP A 189 11.878 -10.416 -3.970 1.00 0.00 H new ATOM 0 HE1 TRP A 189 14.300 -10.664 -4.817 1.00 0.00 H new ATOM 0 HE3 TRP A 189 13.734 -6.132 -1.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 189 16.674 -9.117 -4.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 189 16.122 -5.564 -2.248 1.00 0.00 H new ATOM 0 HH2 TRP A 189 17.583 -7.048 -3.584 1.00 0.00 H new ATOM 456 N LEU A 190 12.912 -7.814 0.204 1.00 0.00 N ATOM 457 CA LEU A 190 14.178 -7.714 0.951 1.00 0.00 C ATOM 458 C LEU A 190 14.199 -8.722 2.106 1.00 0.00 C ATOM 459 O LEU A 190 15.139 -9.504 2.245 1.00 0.00 O ATOM 460 CB LEU A 190 14.310 -6.266 1.485 1.00 0.00 C ATOM 461 CG LEU A 190 15.745 -5.818 1.862 1.00 0.00 C ATOM 462 CD1 LEU A 190 16.415 -6.699 2.938 1.00 0.00 C ATOM 463 CD2 LEU A 190 16.627 -5.704 0.600 1.00 0.00 C ATOM 0 H LEU A 190 12.451 -6.915 0.060 1.00 0.00 H new ATOM 0 HA LEU A 190 15.019 -7.946 0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 190 13.922 -5.583 0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 190 13.674 -6.163 2.364 1.00 0.00 H new ATOM 0 HG LEU A 190 15.645 -4.833 2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 190 17.416 -6.321 3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 190 15.820 -6.674 3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 190 16.483 -7.725 2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 190 17.631 -5.388 0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 190 16.679 -6.673 0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 190 16.195 -4.970 -0.081 1.00 0.00 H new ATOM 475 N ILE A 191 13.143 -8.726 2.927 1.00 0.00 N ATOM 476 CA ILE A 191 13.001 -9.721 4.008 1.00 0.00 C ATOM 477 C ILE A 191 13.254 -11.140 3.474 1.00 0.00 C ATOM 478 O ILE A 191 14.194 -11.812 3.898 1.00 0.00 O ATOM 479 CB ILE A 191 11.575 -9.603 4.614 1.00 0.00 C ATOM 480 CG1 ILE A 191 11.377 -8.238 5.317 1.00 0.00 C ATOM 481 CG2 ILE A 191 11.230 -10.783 5.556 1.00 0.00 C ATOM 482 CD1 ILE A 191 9.921 -7.989 5.763 1.00 0.00 C ATOM 0 H ILE A 191 12.375 -8.057 2.868 1.00 0.00 H new ATOM 0 HA ILE A 191 13.741 -9.526 4.785 1.00 0.00 H new ATOM 0 HB ILE A 191 10.873 -9.657 3.782 1.00 0.00 H new ATOM 0 HG12 ILE A 191 12.031 -8.187 6.188 1.00 0.00 H new ATOM 0 HG13 ILE A 191 11.684 -7.440 4.641 1.00 0.00 H new ATOM 0 HG21 ILE A 191 10.223 -10.650 5.952 1.00 0.00 H new ATOM 0 HG22 ILE A 191 11.281 -11.719 5.000 1.00 0.00 H new ATOM 0 HG23 ILE A 191 11.943 -10.811 6.380 1.00 0.00 H new ATOM 0 HD11 ILE A 191 9.851 -7.016 6.248 1.00 0.00 H new ATOM 0 HD12 ILE A 191 9.265 -8.009 4.892 1.00 0.00 H new ATOM 0 HD13 ILE A 191 9.617 -8.767 6.464 1.00 0.00 H new ATOM 494 N GLY A 192 12.437 -11.589 2.517 1.00 0.00 N ATOM 495 CA GLY A 192 12.592 -12.934 1.935 1.00 0.00 C ATOM 496 C GLY A 192 13.539 -12.936 0.730 1.00 0.00 C ATOM 497 O GLY A 192 13.195 -13.448 -0.336 1.00 0.00 O ATOM 0 H GLY A 192 11.665 -11.048 2.128 1.00 0.00 H new ATOM 0 HA2 GLY A 192 12.973 -13.616 2.696 1.00 0.00 H new ATOM 0 HA3 GLY A 192 11.616 -13.311 1.629 1.00 0.00 H new ATOM 667 N THR A 205 24.141 -15.616 -12.085 1.00 0.00 N ATOM 668 CA THR A 205 23.251 -16.692 -12.564 1.00 0.00 C ATOM 669 C THR A 205 22.843 -16.505 -14.032 1.00 0.00 C ATOM 670 O THR A 205 22.940 -17.437 -14.826 1.00 0.00 O ATOM 671 CB THR A 205 21.989 -16.738 -11.666 1.00 0.00 C ATOM 672 OG1 THR A 205 22.388 -16.930 -10.306 1.00 0.00 O ATOM 673 CG2 THR A 205 21.009 -17.866 -12.053 1.00 0.00 C ATOM 0 HA THR A 205 23.798 -17.633 -12.504 1.00 0.00 H new ATOM 0 HB THR A 205 21.469 -15.790 -11.803 1.00 0.00 H new ATOM 0 HG1 THR A 205 23.230 -16.456 -10.142 1.00 0.00 H new ATOM 0 HG21 THR A 205 20.147 -17.844 -11.386 1.00 0.00 H new ATOM 0 HG22 THR A 205 20.676 -17.722 -13.081 1.00 0.00 H new ATOM 0 HG23 THR A 205 21.511 -18.830 -11.965 1.00 0.00 H new ATOM 681 N LEU A 206 22.368 -15.313 -14.404 1.00 0.00 N ATOM 682 CA LEU A 206 22.021 -15.028 -15.811 1.00 0.00 C ATOM 683 C LEU A 206 23.201 -15.263 -16.760 1.00 0.00 C ATOM 684 O LEU A 206 23.059 -15.958 -17.766 1.00 0.00 O ATOM 685 CB LEU A 206 21.483 -13.584 -15.979 1.00 0.00 C ATOM 686 CG LEU A 206 19.988 -13.391 -15.610 1.00 0.00 C ATOM 687 CD1 LEU A 206 19.052 -14.306 -16.431 1.00 0.00 C ATOM 688 CD2 LEU A 206 19.709 -13.512 -14.099 1.00 0.00 C ATOM 0 H LEU A 206 22.214 -14.534 -13.764 1.00 0.00 H new ATOM 0 HA LEU A 206 21.232 -15.730 -16.081 1.00 0.00 H new ATOM 0 HB2 LEU A 206 22.083 -12.915 -15.361 1.00 0.00 H new ATOM 0 HB3 LEU A 206 21.628 -13.277 -17.015 1.00 0.00 H new ATOM 0 HG LEU A 206 19.759 -12.361 -15.884 1.00 0.00 H new ATOM 0 HD11 LEU A 206 18.018 -14.130 -16.133 1.00 0.00 H new ATOM 0 HD12 LEU A 206 19.166 -14.085 -17.492 1.00 0.00 H new ATOM 0 HD13 LEU A 206 19.310 -15.349 -16.248 1.00 0.00 H new ATOM 0 HD21 LEU A 206 18.645 -13.366 -13.913 1.00 0.00 H new ATOM 0 HD22 LEU A 206 20.006 -14.502 -13.752 1.00 0.00 H new ATOM 0 HD23 LEU A 206 20.279 -12.754 -13.562 1.00 0.00 H new ATOM 700 N LEU A 207 24.373 -14.694 -16.459 1.00 0.00 N ATOM 701 CA LEU A 207 25.576 -14.909 -17.293 1.00 0.00 C ATOM 702 C LEU A 207 25.834 -16.406 -17.534 1.00 0.00 C ATOM 703 O LEU A 207 26.007 -16.854 -18.669 1.00 0.00 O ATOM 704 CB LEU A 207 26.797 -14.266 -16.590 1.00 0.00 C ATOM 705 CG LEU A 207 28.137 -14.446 -17.344 1.00 0.00 C ATOM 706 CD1 LEU A 207 28.111 -13.810 -18.751 1.00 0.00 C ATOM 707 CD2 LEU A 207 29.314 -13.898 -16.510 1.00 0.00 C ATOM 0 H LEU A 207 24.521 -14.086 -15.654 1.00 0.00 H new ATOM 0 HA LEU A 207 25.415 -14.443 -18.265 1.00 0.00 H new ATOM 0 HB2 LEU A 207 26.607 -13.200 -16.461 1.00 0.00 H new ATOM 0 HB3 LEU A 207 26.895 -14.695 -15.593 1.00 0.00 H new ATOM 0 HG LEU A 207 28.282 -15.517 -17.485 1.00 0.00 H new ATOM 0 HD11 LEU A 207 29.074 -13.964 -19.238 1.00 0.00 H new ATOM 0 HD12 LEU A 207 27.325 -14.275 -19.346 1.00 0.00 H new ATOM 0 HD13 LEU A 207 27.915 -12.741 -18.664 1.00 0.00 H new ATOM 0 HD21 LEU A 207 30.245 -14.036 -17.060 1.00 0.00 H new ATOM 0 HD22 LEU A 207 29.160 -12.836 -16.317 1.00 0.00 H new ATOM 0 HD23 LEU A 207 29.370 -14.435 -15.563 1.00 0.00 H new ATOM 719 N PHE A 208 25.851 -17.183 -16.450 1.00 0.00 N ATOM 720 CA PHE A 208 26.044 -18.644 -16.516 1.00 0.00 C ATOM 721 C PHE A 208 25.007 -19.297 -17.444 1.00 0.00 C ATOM 722 O PHE A 208 25.354 -20.025 -18.372 1.00 0.00 O ATOM 723 CB PHE A 208 25.891 -19.203 -15.080 1.00 0.00 C ATOM 724 CG PHE A 208 26.262 -20.621 -14.879 1.00 0.00 C ATOM 725 CD1 PHE A 208 26.917 -21.364 -15.869 1.00 0.00 C ATOM 726 CD2 PHE A 208 26.023 -21.201 -13.630 1.00 0.00 C ATOM 727 CE1 PHE A 208 27.331 -22.671 -15.606 1.00 0.00 C ATOM 728 CE2 PHE A 208 26.436 -22.509 -13.368 1.00 0.00 C ATOM 729 CZ PHE A 208 27.090 -23.245 -14.357 1.00 0.00 C ATOM 0 H PHE A 208 25.732 -16.825 -15.502 1.00 0.00 H new ATOM 0 HA PHE A 208 27.032 -18.868 -16.918 1.00 0.00 H new ATOM 0 HB2 PHE A 208 26.498 -18.594 -14.411 1.00 0.00 H new ATOM 0 HB3 PHE A 208 24.853 -19.076 -14.773 1.00 0.00 H new ATOM 0 HD1 PHE A 208 27.102 -20.925 -16.838 1.00 0.00 H new ATOM 0 HD2 PHE A 208 25.516 -20.634 -12.863 1.00 0.00 H new ATOM 0 HE1 PHE A 208 27.839 -23.239 -16.371 1.00 0.00 H new ATOM 0 HE2 PHE A 208 26.249 -22.951 -12.400 1.00 0.00 H new ATOM 0 HZ PHE A 208 27.409 -24.257 -14.156 1.00 0.00 H new ATOM 739 N MET A 209 23.725 -19.018 -17.202 1.00 0.00 N ATOM 740 CA MET A 209 22.611 -19.563 -17.997 1.00 0.00 C ATOM 741 C MET A 209 22.819 -19.367 -19.504 1.00 0.00 C ATOM 742 O MET A 209 22.665 -20.302 -20.285 1.00 0.00 O ATOM 743 CB MET A 209 21.317 -18.842 -17.558 1.00 0.00 C ATOM 744 CG MET A 209 20.033 -19.455 -18.152 1.00 0.00 C ATOM 745 SD MET A 209 18.551 -18.501 -17.724 1.00 0.00 S ATOM 746 CE MET A 209 18.651 -18.489 -15.915 1.00 0.00 C ATOM 0 H MET A 209 23.423 -18.404 -16.445 1.00 0.00 H new ATOM 0 HA MET A 209 22.551 -20.637 -17.820 1.00 0.00 H new ATOM 0 HB2 MET A 209 21.250 -18.865 -16.470 1.00 0.00 H new ATOM 0 HB3 MET A 209 21.378 -17.794 -17.852 1.00 0.00 H new ATOM 0 HG2 MET A 209 20.127 -19.508 -19.237 1.00 0.00 H new ATOM 0 HG3 MET A 209 19.921 -20.477 -17.791 1.00 0.00 H new ATOM 0 HE1 MET A 209 17.677 -18.232 -15.498 1.00 0.00 H new ATOM 0 HE2 MET A 209 18.949 -19.476 -15.560 1.00 0.00 H new ATOM 0 HE3 MET A 209 19.388 -17.752 -15.596 1.00 0.00 H new ATOM 756 N VAL A 210 23.151 -18.145 -19.931 1.00 0.00 N ATOM 757 CA VAL A 210 23.427 -17.863 -21.356 1.00 0.00 C ATOM 758 C VAL A 210 24.472 -18.833 -21.929 1.00 0.00 C ATOM 759 O VAL A 210 24.258 -19.452 -22.972 1.00 0.00 O ATOM 760 CB VAL A 210 23.893 -16.391 -21.512 1.00 0.00 C ATOM 761 CG1 VAL A 210 24.343 -16.062 -22.955 1.00 0.00 C ATOM 762 CG2 VAL A 210 22.785 -15.407 -21.075 1.00 0.00 C ATOM 0 H VAL A 210 23.237 -17.334 -19.319 1.00 0.00 H new ATOM 0 HA VAL A 210 22.508 -18.010 -21.924 1.00 0.00 H new ATOM 0 HB VAL A 210 24.757 -16.273 -20.858 1.00 0.00 H new ATOM 0 HG11 VAL A 210 24.659 -15.020 -23.009 1.00 0.00 H new ATOM 0 HG12 VAL A 210 25.175 -16.708 -23.233 1.00 0.00 H new ATOM 0 HG13 VAL A 210 23.512 -16.225 -23.641 1.00 0.00 H new ATOM 0 HG21 VAL A 210 23.139 -14.383 -21.195 1.00 0.00 H new ATOM 0 HG22 VAL A 210 21.899 -15.559 -21.692 1.00 0.00 H new ATOM 0 HG23 VAL A 210 22.533 -15.584 -20.029 1.00 0.00 H new ATOM 772 N LEU A 211 25.612 -18.967 -21.245 1.00 0.00 N ATOM 773 CA LEU A 211 26.660 -19.922 -21.659 1.00 0.00 C ATOM 774 C LEU A 211 26.103 -21.344 -21.806 1.00 0.00 C ATOM 775 O LEU A 211 26.331 -22.017 -22.810 1.00 0.00 O ATOM 776 CB LEU A 211 27.803 -19.935 -20.616 1.00 0.00 C ATOM 777 CG LEU A 211 28.486 -18.562 -20.413 1.00 0.00 C ATOM 778 CD1 LEU A 211 29.533 -18.637 -19.282 1.00 0.00 C ATOM 779 CD2 LEU A 211 29.119 -18.030 -21.717 1.00 0.00 C ATOM 0 H LEU A 211 25.838 -18.433 -20.406 1.00 0.00 H new ATOM 0 HA LEU A 211 27.037 -19.596 -22.628 1.00 0.00 H new ATOM 0 HB2 LEU A 211 27.405 -20.276 -19.660 1.00 0.00 H new ATOM 0 HB3 LEU A 211 28.555 -20.661 -20.925 1.00 0.00 H new ATOM 0 HG LEU A 211 27.711 -17.853 -20.122 1.00 0.00 H new ATOM 0 HD11 LEU A 211 30.002 -17.661 -19.155 1.00 0.00 H new ATOM 0 HD12 LEU A 211 29.044 -18.928 -18.352 1.00 0.00 H new ATOM 0 HD13 LEU A 211 30.294 -19.374 -19.539 1.00 0.00 H new ATOM 0 HD21 LEU A 211 29.587 -17.064 -21.527 1.00 0.00 H new ATOM 0 HD22 LEU A 211 29.872 -18.735 -22.070 1.00 0.00 H new ATOM 0 HD23 LEU A 211 28.346 -17.915 -22.476 1.00 0.00 H new ATOM 791 N ASP A 212 25.366 -21.809 -20.795 1.00 0.00 N ATOM 792 CA ASP A 212 24.746 -23.146 -20.814 1.00 0.00 C ATOM 793 C ASP A 212 23.890 -23.361 -22.065 1.00 0.00 C ATOM 794 O ASP A 212 24.096 -24.323 -22.801 1.00 0.00 O ATOM 795 CB ASP A 212 23.869 -23.322 -19.546 1.00 0.00 C ATOM 796 CG ASP A 212 24.688 -23.186 -18.248 1.00 0.00 C ATOM 797 OD1 ASP A 212 25.890 -23.450 -18.257 1.00 0.00 O ATOM 798 OD2 ASP A 212 24.099 -22.837 -17.226 1.00 0.00 O ATOM 0 H ASP A 212 25.180 -21.278 -19.944 1.00 0.00 H new ATOM 0 HA ASP A 212 25.545 -23.888 -20.829 1.00 0.00 H new ATOM 0 HB2 ASP A 212 23.073 -22.578 -19.551 1.00 0.00 H new ATOM 0 HB3 ASP A 212 23.390 -24.301 -19.571 1.00 0.00 H new ATOM 803 N VAL A 213 22.935 -22.466 -22.325 1.00 0.00 N ATOM 804 CA VAL A 213 22.043 -22.573 -23.498 1.00 0.00 C ATOM 805 C VAL A 213 22.833 -22.670 -24.812 1.00 0.00 C ATOM 806 O VAL A 213 22.650 -23.608 -25.588 1.00 0.00 O ATOM 807 CB VAL A 213 21.082 -21.353 -23.532 1.00 0.00 C ATOM 808 CG1 VAL A 213 20.183 -21.341 -24.790 1.00 0.00 C ATOM 809 CG2 VAL A 213 20.196 -21.292 -22.267 1.00 0.00 C ATOM 0 H VAL A 213 22.753 -21.651 -21.739 1.00 0.00 H new ATOM 0 HA VAL A 213 21.465 -23.492 -23.402 1.00 0.00 H new ATOM 0 HB VAL A 213 21.722 -20.471 -23.564 1.00 0.00 H new ATOM 0 HG11 VAL A 213 19.531 -20.468 -24.763 1.00 0.00 H new ATOM 0 HG12 VAL A 213 20.807 -21.301 -25.683 1.00 0.00 H new ATOM 0 HG13 VAL A 213 19.576 -22.246 -24.812 1.00 0.00 H new ATOM 0 HG21 VAL A 213 19.537 -20.426 -22.326 1.00 0.00 H new ATOM 0 HG22 VAL A 213 19.597 -22.200 -22.198 1.00 0.00 H new ATOM 0 HG23 VAL A 213 20.829 -21.207 -21.383 1.00 0.00 H new ATOM 819 N SER A 214 23.723 -21.707 -25.068 1.00 0.00 N ATOM 820 CA SER A 214 24.514 -21.690 -26.315 1.00 0.00 C ATOM 821 C SER A 214 25.314 -22.986 -26.523 1.00 0.00 C ATOM 822 O SER A 214 25.337 -23.543 -27.621 1.00 0.00 O ATOM 823 CB SER A 214 25.446 -20.456 -26.333 1.00 0.00 C ATOM 824 OG SER A 214 26.194 -20.370 -25.116 1.00 0.00 O ATOM 0 H SER A 214 23.918 -20.930 -24.436 1.00 0.00 H new ATOM 0 HA SER A 214 23.813 -21.622 -27.147 1.00 0.00 H new ATOM 0 HB2 SER A 214 26.128 -20.521 -27.181 1.00 0.00 H new ATOM 0 HB3 SER A 214 24.855 -19.550 -26.468 1.00 0.00 H new ATOM 0 HG SER A 214 25.963 -21.126 -24.536 1.00 0.00 H new ATOM 830 N ALA A 215 25.980 -23.472 -25.472 1.00 0.00 N ATOM 831 CA ALA A 215 26.705 -24.756 -25.525 1.00 0.00 C ATOM 832 C ALA A 215 25.812 -25.909 -26.009 1.00 0.00 C ATOM 833 O ALA A 215 26.194 -26.685 -26.885 1.00 0.00 O ATOM 834 CB ALA A 215 27.241 -25.085 -24.116 1.00 0.00 C ATOM 0 H ALA A 215 26.035 -22.999 -24.570 1.00 0.00 H new ATOM 0 HA ALA A 215 27.522 -24.651 -26.239 1.00 0.00 H new ATOM 0 HB1 ALA A 215 27.779 -26.033 -24.143 1.00 0.00 H new ATOM 0 HB2 ALA A 215 27.916 -24.294 -23.790 1.00 0.00 H new ATOM 0 HB3 ALA A 215 26.407 -25.161 -23.418 1.00 0.00 H new ATOM 840 N LYS A 216 24.619 -26.036 -25.422 1.00 0.00 N ATOM 841 CA LYS A 216 23.648 -27.082 -25.807 1.00 0.00 C ATOM 842 C LYS A 216 23.292 -27.001 -27.296 1.00 0.00 C ATOM 843 O LYS A 216 23.255 -28.020 -27.986 1.00 0.00 O ATOM 844 CB LYS A 216 22.359 -26.925 -24.969 1.00 0.00 C ATOM 845 CG LYS A 216 22.649 -26.873 -23.455 1.00 0.00 C ATOM 846 CD LYS A 216 22.820 -28.220 -22.729 1.00 0.00 C ATOM 847 CE LYS A 216 23.712 -28.079 -21.468 1.00 0.00 C ATOM 848 NZ LYS A 216 23.465 -26.798 -20.778 1.00 0.00 N ATOM 0 H LYS A 216 24.294 -25.426 -24.672 1.00 0.00 H new ATOM 0 HA LYS A 216 24.108 -28.052 -25.617 1.00 0.00 H new ATOM 0 HB2 LYS A 216 21.842 -26.014 -25.269 1.00 0.00 H new ATOM 0 HB3 LYS A 216 21.687 -27.757 -25.180 1.00 0.00 H new ATOM 0 HG2 LYS A 216 23.557 -26.289 -23.304 1.00 0.00 H new ATOM 0 HG3 LYS A 216 21.837 -26.329 -22.973 1.00 0.00 H new ATOM 0 HD2 LYS A 216 21.842 -28.606 -22.442 1.00 0.00 H new ATOM 0 HD3 LYS A 216 23.263 -28.947 -23.409 1.00 0.00 H new ATOM 0 HE2 LYS A 216 23.515 -28.906 -20.786 1.00 0.00 H new ATOM 0 HE3 LYS A 216 24.762 -28.145 -21.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 216 23.734 -26.885 -19.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 216 24.031 -26.048 -21.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 216 22.456 -26.556 -20.845 1.00 0.00 H new ATOM 862 N VAL A 217 23.001 -25.797 -27.803 1.00 0.00 N ATOM 863 CA VAL A 217 22.751 -25.607 -29.249 1.00 0.00 C ATOM 864 C VAL A 217 23.914 -26.173 -30.081 1.00 0.00 C ATOM 865 O VAL A 217 23.706 -26.974 -30.992 1.00 0.00 O ATOM 866 CB VAL A 217 22.535 -24.106 -29.579 1.00 0.00 C ATOM 867 CG1 VAL A 217 22.322 -23.869 -31.094 1.00 0.00 C ATOM 868 CG2 VAL A 217 21.353 -23.506 -28.786 1.00 0.00 C ATOM 0 H VAL A 217 22.932 -24.945 -27.247 1.00 0.00 H new ATOM 0 HA VAL A 217 21.843 -26.151 -29.507 1.00 0.00 H new ATOM 0 HB VAL A 217 23.450 -23.596 -29.276 1.00 0.00 H new ATOM 0 HG11 VAL A 217 22.175 -22.805 -31.279 1.00 0.00 H new ATOM 0 HG12 VAL A 217 23.198 -24.215 -31.643 1.00 0.00 H new ATOM 0 HG13 VAL A 217 21.443 -24.420 -31.428 1.00 0.00 H new ATOM 0 HG21 VAL A 217 21.237 -22.454 -29.047 1.00 0.00 H new ATOM 0 HG22 VAL A 217 20.438 -24.045 -29.033 1.00 0.00 H new ATOM 0 HG23 VAL A 217 21.549 -23.595 -27.717 1.00 0.00 H new ATOM 878 N GLY A 218 25.144 -25.763 -29.762 1.00 0.00 N ATOM 879 CA GLY A 218 26.350 -26.271 -30.448 1.00 0.00 C ATOM 880 C GLY A 218 26.378 -27.804 -30.501 1.00 0.00 C ATOM 881 O GLY A 218 26.571 -28.397 -31.562 1.00 0.00 O ATOM 0 H GLY A 218 25.339 -25.078 -29.031 1.00 0.00 H new ATOM 0 HA2 GLY A 218 26.385 -25.872 -31.462 1.00 0.00 H new ATOM 0 HA3 GLY A 218 27.240 -25.910 -29.932 1.00 0.00 H new ATOM 885 N PHE A 219 26.189 -28.448 -29.346 1.00 0.00 N ATOM 886 CA PHE A 219 26.086 -29.919 -29.261 1.00 0.00 C ATOM 887 C PHE A 219 25.046 -30.470 -30.246 1.00 0.00 C ATOM 888 O PHE A 219 25.310 -31.431 -30.969 1.00 0.00 O ATOM 889 CB PHE A 219 25.725 -30.307 -27.804 1.00 0.00 C ATOM 890 CG PHE A 219 25.619 -31.760 -27.562 1.00 0.00 C ATOM 891 CD1 PHE A 219 24.550 -32.492 -28.090 1.00 0.00 C ATOM 892 CD2 PHE A 219 26.622 -32.422 -26.848 1.00 0.00 C ATOM 893 CE1 PHE A 219 24.489 -33.876 -27.912 1.00 0.00 C ATOM 894 CE2 PHE A 219 26.559 -33.805 -26.667 1.00 0.00 C ATOM 895 CZ PHE A 219 25.494 -34.533 -27.201 1.00 0.00 C ATOM 0 H PHE A 219 26.103 -27.975 -28.447 1.00 0.00 H new ATOM 0 HA PHE A 219 27.044 -30.360 -29.535 1.00 0.00 H new ATOM 0 HB2 PHE A 219 26.480 -29.895 -27.135 1.00 0.00 H new ATOM 0 HB3 PHE A 219 24.777 -29.838 -27.542 1.00 0.00 H new ATOM 0 HD1 PHE A 219 23.769 -31.985 -28.637 1.00 0.00 H new ATOM 0 HD2 PHE A 219 27.448 -31.862 -26.435 1.00 0.00 H new ATOM 0 HE1 PHE A 219 23.664 -34.438 -28.325 1.00 0.00 H new ATOM 0 HE2 PHE A 219 27.335 -34.312 -26.113 1.00 0.00 H new ATOM 0 HZ PHE A 219 25.448 -35.603 -27.064 1.00 0.00 H new ATOM 905 N GLY A 220 23.850 -29.878 -30.264 1.00 0.00 N ATOM 906 CA GLY A 220 22.789 -30.262 -31.214 1.00 0.00 C ATOM 907 C GLY A 220 23.295 -30.322 -32.660 1.00 0.00 C ATOM 908 O GLY A 220 23.113 -31.327 -33.346 1.00 0.00 O ATOM 0 H GLY A 220 23.585 -29.125 -29.629 1.00 0.00 H new ATOM 0 HA2 GLY A 220 22.387 -31.235 -30.932 1.00 0.00 H new ATOM 0 HA3 GLY A 220 21.969 -29.547 -31.148 1.00 0.00 H new ATOM 912 N LEU A 221 23.932 -29.246 -33.133 1.00 0.00 N ATOM 913 CA LEU A 221 24.513 -29.224 -34.493 1.00 0.00 C ATOM 914 C LEU A 221 25.547 -30.340 -34.704 1.00 0.00 C ATOM 915 O LEU A 221 25.479 -31.077 -35.686 1.00 0.00 O ATOM 916 CB LEU A 221 25.162 -27.853 -34.812 1.00 0.00 C ATOM 917 CG LEU A 221 24.173 -26.692 -35.095 1.00 0.00 C ATOM 918 CD1 LEU A 221 23.228 -27.009 -36.275 1.00 0.00 C ATOM 919 CD2 LEU A 221 23.382 -26.242 -33.852 1.00 0.00 C ATOM 0 H LEU A 221 24.061 -28.383 -32.605 1.00 0.00 H new ATOM 0 HA LEU A 221 23.682 -29.394 -35.178 1.00 0.00 H new ATOM 0 HB2 LEU A 221 25.798 -27.568 -33.974 1.00 0.00 H new ATOM 0 HB3 LEU A 221 25.812 -27.972 -35.679 1.00 0.00 H new ATOM 0 HG LEU A 221 24.797 -25.846 -35.383 1.00 0.00 H new ATOM 0 HD11 LEU A 221 22.553 -26.168 -36.437 1.00 0.00 H new ATOM 0 HD12 LEU A 221 23.816 -27.181 -37.176 1.00 0.00 H new ATOM 0 HD13 LEU A 221 22.646 -27.902 -36.046 1.00 0.00 H new ATOM 0 HD21 LEU A 221 22.710 -25.428 -34.123 1.00 0.00 H new ATOM 0 HD22 LEU A 221 22.800 -27.080 -33.468 1.00 0.00 H new ATOM 0 HD23 LEU A 221 24.075 -25.900 -33.084 1.00 0.00 H new ATOM 931 N ILE A 222 26.517 -30.464 -33.794 1.00 0.00 N ATOM 932 CA ILE A 222 27.545 -31.527 -33.857 1.00 0.00 C ATOM 933 C ILE A 222 26.915 -32.915 -34.074 1.00 0.00 C ATOM 934 O ILE A 222 27.335 -33.680 -34.945 1.00 0.00 O ATOM 935 CB ILE A 222 28.374 -31.474 -32.542 1.00 0.00 C ATOM 936 CG1 ILE A 222 29.222 -30.179 -32.469 1.00 0.00 C ATOM 937 CG2 ILE A 222 29.283 -32.712 -32.350 1.00 0.00 C ATOM 938 CD1 ILE A 222 29.559 -29.756 -31.027 1.00 0.00 C ATOM 0 H ILE A 222 26.619 -29.839 -32.995 1.00 0.00 H new ATOM 0 HA ILE A 222 28.199 -31.356 -34.712 1.00 0.00 H new ATOM 0 HB ILE A 222 27.648 -31.476 -31.729 1.00 0.00 H new ATOM 0 HG12 ILE A 222 30.149 -30.327 -33.023 1.00 0.00 H new ATOM 0 HG13 ILE A 222 28.682 -29.370 -32.961 1.00 0.00 H new ATOM 0 HG21 ILE A 222 29.836 -32.616 -31.415 1.00 0.00 H new ATOM 0 HG22 ILE A 222 28.670 -33.612 -32.318 1.00 0.00 H new ATOM 0 HG23 ILE A 222 29.985 -32.780 -33.181 1.00 0.00 H new ATOM 0 HD11 ILE A 222 30.154 -28.843 -31.045 1.00 0.00 H new ATOM 0 HD12 ILE A 222 28.636 -29.577 -30.475 1.00 0.00 H new ATOM 0 HD13 ILE A 222 30.126 -30.549 -30.538 1.00 0.00 H new ATOM 950 N LEU A 223 25.899 -33.248 -33.274 1.00 0.00 N ATOM 951 CA LEU A 223 25.136 -34.497 -33.455 1.00 0.00 C ATOM 952 C LEU A 223 24.534 -34.578 -34.864 1.00 0.00 C ATOM 953 O LEU A 223 24.787 -35.532 -35.603 1.00 0.00 O ATOM 954 CB LEU A 223 24.032 -34.579 -32.375 1.00 0.00 C ATOM 955 CG LEU A 223 23.060 -35.776 -32.525 1.00 0.00 C ATOM 956 CD1 LEU A 223 23.795 -37.134 -32.560 1.00 0.00 C ATOM 957 CD2 LEU A 223 21.996 -35.755 -31.409 1.00 0.00 C ATOM 0 H LEU A 223 25.582 -32.674 -32.493 1.00 0.00 H new ATOM 0 HA LEU A 223 25.810 -35.346 -33.344 1.00 0.00 H new ATOM 0 HB2 LEU A 223 24.506 -34.635 -31.395 1.00 0.00 H new ATOM 0 HB3 LEU A 223 23.454 -33.655 -32.397 1.00 0.00 H new ATOM 0 HG LEU A 223 22.561 -35.664 -33.488 1.00 0.00 H new ATOM 0 HD11 LEU A 223 23.068 -37.939 -32.666 1.00 0.00 H new ATOM 0 HD12 LEU A 223 24.484 -37.153 -33.405 1.00 0.00 H new ATOM 0 HD13 LEU A 223 24.353 -37.270 -31.634 1.00 0.00 H new ATOM 0 HD21 LEU A 223 21.323 -36.604 -31.532 1.00 0.00 H new ATOM 0 HD22 LEU A 223 22.486 -35.818 -30.438 1.00 0.00 H new ATOM 0 HD23 LEU A 223 21.426 -34.828 -31.468 1.00 0.00 H new