USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 315 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 171 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 172 THR OG1 : rot 180:sc= 0.0092 USER MOD Single : A 174 THR OG1 : rot 180:sc= 0 USER MOD Single : A 182 THR OG1 : rot -94:sc= -0.0883 USER MOD Single : A 184 SER OG : rot -83:sc= -0.87! USER MOD Single : A 186 THR OG1 : rot 180:sc= -0.656 USER MOD Single : B 172 THR OG1 : rot -40:sc= 0.264 USER MOD Single : B 174 THR OG1 : rot 180:sc= 0 USER MOD Single : B 182 THR OG1 : rot 33:sc= 0.826 USER MOD Single : B 184 SER OG : rot 88:sc= 1.24 USER MOD Single : B 186 THR OG1 : rot 80:sc= 0.915 USER MOD Single : B 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 190 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 191 MET CE :methyl 144:sc= -0.104 (180deg=-1.74) USER MOD ----------------------------------------------------------------- ATOM 76 N GLN A 171 6.616 -12.958 17.675 1.00 0.00 N ATOM 77 CA GLN A 171 7.815 -12.819 16.792 1.00 0.00 C ATOM 78 C GLN A 171 9.090 -12.833 17.641 1.00 0.00 C ATOM 79 O GLN A 171 10.131 -13.331 17.198 1.00 0.00 O ATOM 80 CB GLN A 171 7.729 -11.507 16.003 1.00 0.00 C ATOM 81 CG GLN A 171 8.830 -11.470 14.939 1.00 0.00 C ATOM 82 CD GLN A 171 8.650 -10.250 14.042 1.00 0.00 C ATOM 83 OE1 GLN A 171 7.845 -10.276 13.111 1.00 0.00 O ATOM 84 NE2 GLN A 171 9.352 -9.174 14.271 1.00 0.00 N ATOM 0 HA GLN A 171 7.843 -13.655 16.093 1.00 0.00 H new ATOM 0 HB2 GLN A 171 6.751 -11.419 15.531 1.00 0.00 H new ATOM 0 HB3 GLN A 171 7.834 -10.658 16.678 1.00 0.00 H new ATOM 0 HG2 GLN A 171 9.809 -11.438 15.418 1.00 0.00 H new ATOM 0 HG3 GLN A 171 8.798 -12.380 14.340 1.00 0.00 H new ATOM 0 HE21 GLN A 171 10.018 -9.155 15.043 1.00 0.00 H new ATOM 0 HE22 GLN A 171 9.234 -8.352 13.678 1.00 0.00 H new ATOM 93 N THR A 172 9.033 -12.280 18.835 1.00 0.00 N ATOM 94 CA THR A 172 10.237 -12.229 19.724 1.00 0.00 C ATOM 95 C THR A 172 10.621 -13.632 20.189 1.00 0.00 C ATOM 96 O THR A 172 11.806 -13.975 20.216 1.00 0.00 O ATOM 97 CB THR A 172 9.948 -11.346 20.942 1.00 0.00 C ATOM 98 OG1 THR A 172 8.705 -11.729 21.514 1.00 0.00 O ATOM 99 CG2 THR A 172 9.886 -9.880 20.511 1.00 0.00 C ATOM 0 H THR A 172 8.193 -11.859 19.232 1.00 0.00 H new ATOM 0 HA THR A 172 11.067 -11.807 19.157 1.00 0.00 H new ATOM 0 HB THR A 172 10.742 -11.469 21.679 1.00 0.00 H new ATOM 0 HG1 THR A 172 8.517 -11.167 22.295 1.00 0.00 H new ATOM 0 HG21 THR A 172 9.680 -9.254 21.379 1.00 0.00 H new ATOM 0 HG22 THR A 172 10.840 -9.589 20.072 1.00 0.00 H new ATOM 0 HG23 THR A 172 9.093 -9.751 19.774 1.00 0.00 H new ATOM 107 N VAL A 173 9.659 -14.439 20.577 1.00 0.00 N ATOM 108 CA VAL A 173 9.975 -15.824 21.062 1.00 0.00 C ATOM 109 C VAL A 173 10.492 -16.692 19.912 1.00 0.00 C ATOM 110 O VAL A 173 11.470 -17.425 20.082 1.00 0.00 O ATOM 111 CB VAL A 173 8.745 -16.481 21.716 1.00 0.00 C ATOM 112 CG1 VAL A 173 8.375 -15.714 22.987 1.00 0.00 C ATOM 113 CG2 VAL A 173 7.547 -16.467 20.758 1.00 0.00 C ATOM 0 H VAL A 173 8.668 -14.198 20.579 1.00 0.00 H new ATOM 0 HA VAL A 173 10.756 -15.741 21.818 1.00 0.00 H new ATOM 0 HB VAL A 173 8.992 -17.515 21.957 1.00 0.00 H new ATOM 0 HG11 VAL A 173 7.505 -16.178 23.451 1.00 0.00 H new ATOM 0 HG12 VAL A 173 9.213 -15.738 23.683 1.00 0.00 H new ATOM 0 HG13 VAL A 173 8.143 -14.680 22.733 1.00 0.00 H new ATOM 0 HG21 VAL A 173 6.690 -16.936 21.241 1.00 0.00 H new ATOM 0 HG22 VAL A 173 7.300 -15.437 20.500 1.00 0.00 H new ATOM 0 HG23 VAL A 173 7.799 -17.018 19.852 1.00 0.00 H new ATOM 123 N THR A 174 9.850 -16.644 18.763 1.00 0.00 N ATOM 124 CA THR A 174 10.285 -17.488 17.597 1.00 0.00 C ATOM 125 C THR A 174 11.673 -17.071 17.097 1.00 0.00 C ATOM 126 O THR A 174 12.505 -17.927 16.780 1.00 0.00 O ATOM 127 CB THR A 174 9.262 -17.387 16.453 1.00 0.00 C ATOM 128 OG1 THR A 174 9.705 -18.172 15.355 1.00 0.00 O ATOM 129 CG2 THR A 174 9.100 -15.930 16.004 1.00 0.00 C ATOM 0 H THR A 174 9.039 -16.053 18.582 1.00 0.00 H new ATOM 0 HA THR A 174 10.341 -18.522 17.936 1.00 0.00 H new ATOM 0 HB THR A 174 8.299 -17.754 16.809 1.00 0.00 H new ATOM 0 HG1 THR A 174 9.054 -18.111 14.625 1.00 0.00 H new ATOM 0 HG21 THR A 174 8.372 -15.878 15.194 1.00 0.00 H new ATOM 0 HG22 THR A 174 8.753 -15.327 16.843 1.00 0.00 H new ATOM 0 HG23 THR A 174 10.059 -15.548 15.655 1.00 0.00 H new ATOM 137 N ILE A 175 11.931 -15.785 16.993 1.00 0.00 N ATOM 138 CA ILE A 175 13.264 -15.318 16.490 1.00 0.00 C ATOM 139 C ILE A 175 14.365 -15.699 17.495 1.00 0.00 C ATOM 140 O ILE A 175 15.478 -16.059 17.098 1.00 0.00 O ATOM 141 CB ILE A 175 13.227 -13.790 16.209 1.00 0.00 C ATOM 142 CG1 ILE A 175 14.346 -13.417 15.215 1.00 0.00 C ATOM 143 CG2 ILE A 175 13.385 -12.964 17.500 1.00 0.00 C ATOM 144 CD1 ILE A 175 13.934 -13.802 13.787 1.00 0.00 C ATOM 0 H ILE A 175 11.276 -15.041 17.235 1.00 0.00 H new ATOM 0 HA ILE A 175 13.494 -15.813 15.547 1.00 0.00 H new ATOM 0 HB ILE A 175 12.253 -13.555 15.781 1.00 0.00 H new ATOM 0 HG12 ILE A 175 14.548 -12.347 15.268 1.00 0.00 H new ATOM 0 HG13 ILE A 175 15.269 -13.929 15.486 1.00 0.00 H new ATOM 0 HG21 ILE A 175 13.354 -11.902 17.258 1.00 0.00 H new ATOM 0 HG22 ILE A 175 12.574 -13.204 18.187 1.00 0.00 H new ATOM 0 HG23 ILE A 175 14.340 -13.201 17.969 1.00 0.00 H new ATOM 0 HD11 ILE A 175 14.731 -13.534 13.094 1.00 0.00 H new ATOM 0 HD12 ILE A 175 13.755 -14.876 13.737 1.00 0.00 H new ATOM 0 HD13 ILE A 175 13.023 -13.269 13.515 1.00 0.00 H new ATOM 156 N PHE A 176 14.079 -15.596 18.777 1.00 0.00 N ATOM 157 CA PHE A 176 15.104 -15.919 19.824 1.00 0.00 C ATOM 158 C PHE A 176 15.486 -17.399 19.737 1.00 0.00 C ATOM 159 O PHE A 176 16.674 -17.741 19.757 1.00 0.00 O ATOM 160 CB PHE A 176 14.536 -15.617 21.233 1.00 0.00 C ATOM 161 CG PHE A 176 15.490 -14.740 22.017 1.00 0.00 C ATOM 162 CD1 PHE A 176 15.636 -13.400 21.661 1.00 0.00 C ATOM 163 CD2 PHE A 176 16.224 -15.269 23.088 1.00 0.00 C ATOM 164 CE1 PHE A 176 16.519 -12.579 22.375 1.00 0.00 C ATOM 165 CE2 PHE A 176 17.106 -14.450 23.802 1.00 0.00 C ATOM 166 CZ PHE A 176 17.253 -13.104 23.445 1.00 0.00 C ATOM 0 H PHE A 176 13.174 -15.300 19.142 1.00 0.00 H new ATOM 0 HA PHE A 176 15.988 -15.305 19.653 1.00 0.00 H new ATOM 0 HB2 PHE A 176 13.569 -15.122 21.143 1.00 0.00 H new ATOM 0 HB3 PHE A 176 14.367 -16.550 21.770 1.00 0.00 H new ATOM 0 HD1 PHE A 176 15.069 -12.995 20.836 1.00 0.00 H new ATOM 0 HD2 PHE A 176 16.109 -16.307 23.362 1.00 0.00 H new ATOM 0 HE1 PHE A 176 16.633 -11.541 22.100 1.00 0.00 H new ATOM 0 HE2 PHE A 176 17.673 -14.856 24.627 1.00 0.00 H new ATOM 0 HZ PHE A 176 17.933 -12.471 23.995 1.00 0.00 H new ATOM 176 N VAL A 177 14.507 -18.272 19.652 1.00 0.00 N ATOM 177 CA VAL A 177 14.796 -19.744 19.573 1.00 0.00 C ATOM 178 C VAL A 177 15.544 -20.039 18.282 1.00 0.00 C ATOM 179 O VAL A 177 16.496 -20.827 18.273 1.00 0.00 O ATOM 180 CB VAL A 177 13.503 -20.568 19.648 1.00 0.00 C ATOM 181 CG1 VAL A 177 12.871 -20.373 21.022 1.00 0.00 C ATOM 182 CG2 VAL A 177 12.506 -20.109 18.581 1.00 0.00 C ATOM 0 H VAL A 177 13.517 -18.028 19.634 1.00 0.00 H new ATOM 0 HA VAL A 177 15.414 -20.028 20.424 1.00 0.00 H new ATOM 0 HB VAL A 177 13.746 -21.617 19.479 1.00 0.00 H new ATOM 0 HG11 VAL A 177 11.951 -20.955 21.085 1.00 0.00 H new ATOM 0 HG12 VAL A 177 13.566 -20.707 21.793 1.00 0.00 H new ATOM 0 HG13 VAL A 177 12.644 -19.317 21.171 1.00 0.00 H new ATOM 0 HG21 VAL A 177 11.597 -20.706 18.652 1.00 0.00 H new ATOM 0 HG22 VAL A 177 12.263 -19.058 18.738 1.00 0.00 H new ATOM 0 HG23 VAL A 177 12.947 -20.236 17.592 1.00 0.00 H new ATOM 192 N ALA A 178 15.149 -19.408 17.203 1.00 0.00 N ATOM 193 CA ALA A 178 15.844 -19.622 15.894 1.00 0.00 C ATOM 194 C ALA A 178 17.310 -19.219 16.043 1.00 0.00 C ATOM 195 O ALA A 178 18.195 -19.846 15.453 1.00 0.00 O ATOM 196 CB ALA A 178 15.187 -18.777 14.799 1.00 0.00 C ATOM 0 H ALA A 178 14.370 -18.750 17.172 1.00 0.00 H new ATOM 0 HA ALA A 178 15.771 -20.673 15.613 1.00 0.00 H new ATOM 0 HB1 ALA A 178 15.703 -18.943 13.853 1.00 0.00 H new ATOM 0 HB2 ALA A 178 14.140 -19.064 14.697 1.00 0.00 H new ATOM 0 HB3 ALA A 178 15.250 -17.722 15.067 1.00 0.00 H new ATOM 202 N GLY A 179 17.581 -18.192 16.825 1.00 0.00 N ATOM 203 CA GLY A 179 18.990 -17.732 17.035 1.00 0.00 C ATOM 204 C GLY A 179 19.769 -18.806 17.795 1.00 0.00 C ATOM 205 O GLY A 179 20.942 -19.054 17.498 1.00 0.00 O ATOM 0 H GLY A 179 16.877 -17.652 17.328 1.00 0.00 H new ATOM 0 HA2 GLY A 179 19.466 -17.533 16.075 1.00 0.00 H new ATOM 0 HA3 GLY A 179 18.999 -16.797 17.595 1.00 0.00 H new ATOM 209 N VAL A 180 19.143 -19.441 18.765 1.00 0.00 N ATOM 210 CA VAL A 180 19.839 -20.505 19.559 1.00 0.00 C ATOM 211 C VAL A 180 20.068 -21.719 18.657 1.00 0.00 C ATOM 212 O VAL A 180 21.159 -22.301 18.655 1.00 0.00 O ATOM 213 CB VAL A 180 18.985 -20.899 20.785 1.00 0.00 C ATOM 214 CG1 VAL A 180 19.707 -21.966 21.623 1.00 0.00 C ATOM 215 CG2 VAL A 180 18.734 -19.665 21.660 1.00 0.00 C ATOM 0 H VAL A 180 18.176 -19.265 19.039 1.00 0.00 H new ATOM 0 HA VAL A 180 20.797 -20.131 19.919 1.00 0.00 H new ATOM 0 HB VAL A 180 18.037 -21.302 20.429 1.00 0.00 H new ATOM 0 HG11 VAL A 180 19.091 -22.232 22.482 1.00 0.00 H new ATOM 0 HG12 VAL A 180 19.880 -22.852 21.013 1.00 0.00 H new ATOM 0 HG13 VAL A 180 20.662 -21.572 21.969 1.00 0.00 H new ATOM 0 HG21 VAL A 180 18.131 -19.948 22.523 1.00 0.00 H new ATOM 0 HG22 VAL A 180 19.687 -19.260 22.000 1.00 0.00 H new ATOM 0 HG23 VAL A 180 18.205 -18.909 21.080 1.00 0.00 H new ATOM 225 N LEU A 181 19.064 -22.108 17.905 1.00 0.00 N ATOM 226 CA LEU A 181 19.196 -23.290 17.001 1.00 0.00 C ATOM 227 C LEU A 181 20.246 -22.997 15.933 1.00 0.00 C ATOM 228 O LEU A 181 21.082 -23.851 15.630 1.00 0.00 O ATOM 229 CB LEU A 181 17.838 -23.599 16.348 1.00 0.00 C ATOM 230 CG LEU A 181 17.873 -24.981 15.650 1.00 0.00 C ATOM 231 CD1 LEU A 181 16.458 -25.575 15.600 1.00 0.00 C ATOM 232 CD2 LEU A 181 18.406 -24.833 14.215 1.00 0.00 C ATOM 0 H LEU A 181 18.152 -21.651 17.881 1.00 0.00 H new ATOM 0 HA LEU A 181 19.511 -24.159 17.578 1.00 0.00 H new ATOM 0 HB2 LEU A 181 17.053 -23.587 17.104 1.00 0.00 H new ATOM 0 HB3 LEU A 181 17.593 -22.824 15.622 1.00 0.00 H new ATOM 0 HG LEU A 181 18.530 -25.642 16.216 1.00 0.00 H new ATOM 0 HD11 LEU A 181 16.489 -26.547 15.108 1.00 0.00 H new ATOM 0 HD12 LEU A 181 16.077 -25.694 16.614 1.00 0.00 H new ATOM 0 HD13 LEU A 181 15.802 -24.907 15.042 1.00 0.00 H new ATOM 0 HD21 LEU A 181 18.427 -25.810 13.732 1.00 0.00 H new ATOM 0 HD22 LEU A 181 17.755 -24.164 13.652 1.00 0.00 H new ATOM 0 HD23 LEU A 181 19.414 -24.420 14.242 1.00 0.00 H new ATOM 244 N THR A 182 20.227 -21.810 15.370 1.00 0.00 N ATOM 245 CA THR A 182 21.228 -21.445 14.316 1.00 0.00 C ATOM 246 C THR A 182 22.632 -21.529 14.901 1.00 0.00 C ATOM 247 O THR A 182 23.543 -22.090 14.282 1.00 0.00 O ATOM 248 CB THR A 182 20.973 -20.016 13.825 1.00 0.00 C ATOM 249 OG1 THR A 182 20.563 -19.212 14.923 1.00 0.00 O ATOM 250 CG2 THR A 182 19.880 -20.011 12.751 1.00 0.00 C ATOM 0 H THR A 182 19.557 -21.075 15.597 1.00 0.00 H new ATOM 0 HA THR A 182 21.133 -22.137 13.479 1.00 0.00 H new ATOM 0 HB THR A 182 21.891 -19.616 13.394 1.00 0.00 H new ATOM 0 HG1 THR A 182 19.584 -19.185 14.961 1.00 0.00 H new ATOM 0 HG21 THR A 182 19.709 -18.990 12.411 1.00 0.00 H new ATOM 0 HG22 THR A 182 20.195 -20.626 11.908 1.00 0.00 H new ATOM 0 HG23 THR A 182 18.957 -20.414 13.169 1.00 0.00 H new ATOM 258 N ALA A 183 22.820 -20.963 16.066 1.00 0.00 N ATOM 259 CA ALA A 183 24.164 -20.964 16.720 1.00 0.00 C ATOM 260 C ALA A 183 24.649 -22.392 16.957 1.00 0.00 C ATOM 261 O ALA A 183 25.854 -22.657 16.875 1.00 0.00 O ATOM 262 CB ALA A 183 24.099 -20.198 18.047 1.00 0.00 C ATOM 0 H ALA A 183 22.088 -20.493 16.599 1.00 0.00 H new ATOM 0 HA ALA A 183 24.874 -20.469 16.057 1.00 0.00 H new ATOM 0 HB1 ALA A 183 25.082 -20.203 18.518 1.00 0.00 H new ATOM 0 HB2 ALA A 183 23.792 -19.169 17.859 1.00 0.00 H new ATOM 0 HB3 ALA A 183 23.377 -20.677 18.709 1.00 0.00 H new ATOM 268 N SER A 184 23.755 -23.311 17.251 1.00 0.00 N ATOM 269 CA SER A 184 24.175 -24.725 17.501 1.00 0.00 C ATOM 270 C SER A 184 24.884 -25.260 16.258 1.00 0.00 C ATOM 271 O SER A 184 25.946 -25.881 16.356 1.00 0.00 O ATOM 272 CB SER A 184 22.953 -25.594 17.830 1.00 0.00 C ATOM 273 OG SER A 184 22.342 -26.051 16.630 1.00 0.00 O ATOM 0 H SER A 184 22.752 -23.139 17.328 1.00 0.00 H new ATOM 0 HA SER A 184 24.855 -24.757 18.352 1.00 0.00 H new ATOM 0 HB2 SER A 184 23.256 -26.445 18.440 1.00 0.00 H new ATOM 0 HB3 SER A 184 22.236 -25.020 18.417 1.00 0.00 H new ATOM 0 HG SER A 184 21.746 -25.356 16.281 1.00 0.00 H new ATOM 279 N LEU A 185 24.303 -25.036 15.102 1.00 0.00 N ATOM 280 CA LEU A 185 24.904 -25.532 13.820 1.00 0.00 C ATOM 281 C LEU A 185 26.257 -24.869 13.546 1.00 0.00 C ATOM 282 O LEU A 185 27.195 -25.542 13.105 1.00 0.00 O ATOM 283 CB LEU A 185 23.946 -25.239 12.642 1.00 0.00 C ATOM 284 CG LEU A 185 22.827 -26.301 12.508 1.00 0.00 C ATOM 285 CD1 LEU A 185 23.416 -27.671 12.151 1.00 0.00 C ATOM 286 CD2 LEU A 185 22.012 -26.409 13.804 1.00 0.00 C ATOM 0 H LEU A 185 23.428 -24.525 14.991 1.00 0.00 H new ATOM 0 HA LEU A 185 25.058 -26.607 13.917 1.00 0.00 H new ATOM 0 HB2 LEU A 185 23.495 -24.256 12.781 1.00 0.00 H new ATOM 0 HB3 LEU A 185 24.517 -25.199 11.715 1.00 0.00 H new ATOM 0 HG LEU A 185 22.164 -25.981 11.704 1.00 0.00 H new ATOM 0 HD11 LEU A 185 22.611 -28.401 12.062 1.00 0.00 H new ATOM 0 HD12 LEU A 185 23.950 -27.602 11.203 1.00 0.00 H new ATOM 0 HD13 LEU A 185 24.106 -27.985 12.934 1.00 0.00 H new ATOM 0 HD21 LEU A 185 21.233 -27.162 13.682 1.00 0.00 H new ATOM 0 HD22 LEU A 185 22.670 -26.697 14.624 1.00 0.00 H new ATOM 0 HD23 LEU A 185 21.554 -25.445 14.027 1.00 0.00 H new ATOM 298 N THR A 186 26.373 -23.574 13.762 1.00 0.00 N ATOM 299 CA THR A 186 27.665 -22.864 13.479 1.00 0.00 C ATOM 300 C THR A 186 28.742 -23.307 14.457 1.00 0.00 C ATOM 301 O THR A 186 29.871 -23.606 14.052 1.00 0.00 O ATOM 302 CB THR A 186 27.471 -21.349 13.601 1.00 0.00 C ATOM 303 OG1 THR A 186 26.629 -21.068 14.709 1.00 0.00 O ATOM 304 CG2 THR A 186 26.838 -20.796 12.325 1.00 0.00 C ATOM 0 H THR A 186 25.627 -22.980 14.122 1.00 0.00 H new ATOM 0 HA THR A 186 27.976 -23.114 12.465 1.00 0.00 H new ATOM 0 HB THR A 186 28.442 -20.876 13.749 1.00 0.00 H new ATOM 0 HG1 THR A 186 26.506 -20.099 14.789 1.00 0.00 H new ATOM 0 HG21 THR A 186 26.705 -19.719 12.422 1.00 0.00 H new ATOM 0 HG22 THR A 186 27.488 -21.006 11.476 1.00 0.00 H new ATOM 0 HG23 THR A 186 25.869 -21.269 12.165 1.00 0.00 H new ATOM 312 N ILE A 187 28.426 -23.338 15.729 1.00 0.00 N ATOM 313 CA ILE A 187 29.436 -23.744 16.756 1.00 0.00 C ATOM 314 C ILE A 187 29.776 -25.224 16.567 1.00 0.00 C ATOM 315 O ILE A 187 30.950 -25.608 16.603 1.00 0.00 O ATOM 316 CB ILE A 187 28.899 -23.510 18.182 1.00 0.00 C ATOM 317 CG1 ILE A 187 28.454 -22.045 18.346 1.00 0.00 C ATOM 318 CG2 ILE A 187 30.008 -23.817 19.202 1.00 0.00 C ATOM 319 CD1 ILE A 187 27.572 -21.911 19.591 1.00 0.00 C ATOM 0 H ILE A 187 27.507 -23.098 16.102 1.00 0.00 H new ATOM 0 HA ILE A 187 30.331 -23.136 16.627 1.00 0.00 H new ATOM 0 HB ILE A 187 28.045 -24.166 18.352 1.00 0.00 H new ATOM 0 HG12 ILE A 187 29.326 -21.397 18.435 1.00 0.00 H new ATOM 0 HG13 ILE A 187 27.905 -21.720 17.462 1.00 0.00 H new ATOM 0 HG21 ILE A 187 29.630 -23.652 20.211 1.00 0.00 H new ATOM 0 HG22 ILE A 187 30.321 -24.856 19.097 1.00 0.00 H new ATOM 0 HG23 ILE A 187 30.860 -23.161 19.022 1.00 0.00 H new ATOM 0 HD11 ILE A 187 27.258 -20.873 19.705 1.00 0.00 H new ATOM 0 HD12 ILE A 187 26.693 -22.546 19.484 1.00 0.00 H new ATOM 0 HD13 ILE A 187 28.136 -22.218 20.471 1.00 0.00 H new ATOM 331 N TRP A 188 28.774 -26.052 16.384 1.00 0.00 N ATOM 332 CA TRP A 188 29.010 -27.518 16.207 1.00 0.00 C ATOM 333 C TRP A 188 29.901 -27.755 14.989 1.00 0.00 C ATOM 334 O TRP A 188 30.763 -28.640 15.010 1.00 0.00 O ATOM 335 CB TRP A 188 27.667 -28.250 16.023 1.00 0.00 C ATOM 336 CG TRP A 188 26.975 -28.481 17.350 1.00 0.00 C ATOM 337 CD1 TRP A 188 26.901 -27.598 18.386 1.00 0.00 C ATOM 338 CD2 TRP A 188 26.236 -29.663 17.781 1.00 0.00 C ATOM 339 NE1 TRP A 188 26.182 -28.174 19.416 1.00 0.00 N ATOM 340 CE2 TRP A 188 25.749 -29.442 19.092 1.00 0.00 C ATOM 341 CE3 TRP A 188 25.950 -30.896 17.167 1.00 0.00 C ATOM 342 CZ2 TRP A 188 25.004 -30.409 19.767 1.00 0.00 C ATOM 343 CZ3 TRP A 188 25.198 -31.871 17.845 1.00 0.00 C ATOM 344 CH2 TRP A 188 24.727 -31.628 19.142 1.00 0.00 C ATOM 0 H TRP A 188 27.794 -25.770 16.350 1.00 0.00 H new ATOM 0 HA TRP A 188 29.507 -27.908 17.096 1.00 0.00 H new ATOM 0 HB2 TRP A 188 27.019 -27.665 15.370 1.00 0.00 H new ATOM 0 HB3 TRP A 188 27.837 -29.206 15.529 1.00 0.00 H new ATOM 0 HD1 TRP A 188 27.334 -26.609 18.400 1.00 0.00 H new ATOM 0 HE1 TRP A 188 25.994 -27.716 20.308 1.00 0.00 H new ATOM 0 HE3 TRP A 188 26.310 -31.095 16.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 188 24.643 -30.217 20.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 188 24.982 -32.813 17.363 1.00 0.00 H new ATOM 0 HH2 TRP A 188 24.151 -32.382 19.658 1.00 0.00 H new ATOM 517 N THR B 172 15.419 -7.623 13.434 1.00 0.00 N ATOM 518 CA THR B 172 15.604 -9.105 13.554 1.00 0.00 C ATOM 519 C THR B 172 17.090 -9.414 13.727 1.00 0.00 C ATOM 520 O THR B 172 17.458 -10.396 14.377 1.00 0.00 O ATOM 521 CB THR B 172 15.083 -9.809 12.298 1.00 0.00 C ATOM 522 OG1 THR B 172 15.601 -9.159 11.146 1.00 0.00 O ATOM 523 CG2 THR B 172 13.554 -9.760 12.272 1.00 0.00 C ATOM 0 HA THR B 172 15.045 -9.464 14.418 1.00 0.00 H new ATOM 0 HB THR B 172 15.406 -10.850 12.306 1.00 0.00 H new ATOM 0 HG1 THR B 172 15.593 -8.189 11.286 1.00 0.00 H new ATOM 0 HG21 THR B 172 13.189 -10.262 11.376 1.00 0.00 H new ATOM 0 HG22 THR B 172 13.159 -10.261 13.156 1.00 0.00 H new ATOM 0 HG23 THR B 172 13.223 -8.721 12.266 1.00 0.00 H new ATOM 531 N VAL B 173 17.943 -8.607 13.142 1.00 0.00 N ATOM 532 CA VAL B 173 19.416 -8.839 13.248 1.00 0.00 C ATOM 533 C VAL B 173 19.853 -8.593 14.687 1.00 0.00 C ATOM 534 O VAL B 173 20.646 -9.363 15.240 1.00 0.00 O ATOM 535 CB VAL B 173 20.203 -7.899 12.312 1.00 0.00 C ATOM 536 CG1 VAL B 173 21.639 -8.406 12.175 1.00 0.00 C ATOM 537 CG2 VAL B 173 19.563 -7.854 10.917 1.00 0.00 C ATOM 0 H VAL B 173 17.678 -7.791 12.591 1.00 0.00 H new ATOM 0 HA VAL B 173 19.625 -9.867 12.952 1.00 0.00 H new ATOM 0 HB VAL B 173 20.190 -6.897 12.742 1.00 0.00 H new ATOM 0 HG11 VAL B 173 22.197 -7.743 11.514 1.00 0.00 H new ATOM 0 HG12 VAL B 173 22.114 -8.424 13.156 1.00 0.00 H new ATOM 0 HG13 VAL B 173 21.631 -9.413 11.757 1.00 0.00 H new ATOM 0 HG21 VAL B 173 20.136 -7.185 10.275 1.00 0.00 H new ATOM 0 HG22 VAL B 173 19.559 -8.855 10.486 1.00 0.00 H new ATOM 0 HG23 VAL B 173 18.539 -7.490 10.998 1.00 0.00 H new ATOM 547 N THR B 174 19.368 -7.529 15.297 1.00 0.00 N ATOM 548 CA THR B 174 19.771 -7.209 16.704 1.00 0.00 C ATOM 549 C THR B 174 19.270 -8.286 17.666 1.00 0.00 C ATOM 550 O THR B 174 20.020 -8.725 18.549 1.00 0.00 O ATOM 551 CB THR B 174 19.195 -5.850 17.112 1.00 0.00 C ATOM 552 OG1 THR B 174 17.801 -5.827 16.836 1.00 0.00 O ATOM 553 CG2 THR B 174 19.892 -4.739 16.325 1.00 0.00 C ATOM 0 H THR B 174 18.711 -6.871 14.877 1.00 0.00 H new ATOM 0 HA THR B 174 20.859 -7.175 16.753 1.00 0.00 H new ATOM 0 HB THR B 174 19.358 -5.692 18.178 1.00 0.00 H new ATOM 0 HG1 THR B 174 17.430 -4.959 17.098 1.00 0.00 H new ATOM 0 HG21 THR B 174 19.480 -3.773 16.617 1.00 0.00 H new ATOM 0 HG22 THR B 174 20.961 -4.758 16.538 1.00 0.00 H new ATOM 0 HG23 THR B 174 19.732 -4.894 15.258 1.00 0.00 H new ATOM 561 N ILE B 175 18.035 -8.727 17.519 1.00 0.00 N ATOM 562 CA ILE B 175 17.496 -9.786 18.434 1.00 0.00 C ATOM 563 C ILE B 175 18.248 -11.101 18.193 1.00 0.00 C ATOM 564 O ILE B 175 18.518 -11.852 19.136 1.00 0.00 O ATOM 565 CB ILE B 175 15.963 -9.953 18.262 1.00 0.00 C ATOM 566 CG1 ILE B 175 15.401 -10.742 19.460 1.00 0.00 C ATOM 567 CG2 ILE B 175 15.617 -10.694 16.960 1.00 0.00 C ATOM 568 CD1 ILE B 175 15.275 -9.815 20.676 1.00 0.00 C ATOM 0 H ILE B 175 17.383 -8.398 16.807 1.00 0.00 H new ATOM 0 HA ILE B 175 17.659 -9.481 19.468 1.00 0.00 H new ATOM 0 HB ILE B 175 15.517 -8.960 18.215 1.00 0.00 H new ATOM 0 HG12 ILE B 175 14.427 -11.161 19.207 1.00 0.00 H new ATOM 0 HG13 ILE B 175 16.057 -11.580 19.696 1.00 0.00 H new ATOM 0 HG21 ILE B 175 14.535 -10.792 16.874 1.00 0.00 H new ATOM 0 HG22 ILE B 175 15.999 -10.131 16.108 1.00 0.00 H new ATOM 0 HG23 ILE B 175 16.071 -11.685 16.973 1.00 0.00 H new ATOM 0 HD11 ILE B 175 14.877 -10.376 21.522 1.00 0.00 H new ATOM 0 HD12 ILE B 175 16.257 -9.418 20.934 1.00 0.00 H new ATOM 0 HD13 ILE B 175 14.601 -8.992 20.438 1.00 0.00 H new ATOM 580 N PHE B 176 18.574 -11.388 16.948 1.00 0.00 N ATOM 581 CA PHE B 176 19.297 -12.656 16.614 1.00 0.00 C ATOM 582 C PHE B 176 20.621 -12.684 17.382 1.00 0.00 C ATOM 583 O PHE B 176 20.979 -13.707 17.974 1.00 0.00 O ATOM 584 CB PHE B 176 19.582 -12.727 15.090 1.00 0.00 C ATOM 585 CG PHE B 176 18.791 -13.843 14.429 1.00 0.00 C ATOM 586 CD1 PHE B 176 19.190 -15.174 14.603 1.00 0.00 C ATOM 587 CD2 PHE B 176 17.674 -13.547 13.641 1.00 0.00 C ATOM 588 CE1 PHE B 176 18.470 -16.207 13.990 1.00 0.00 C ATOM 589 CE2 PHE B 176 16.956 -14.581 13.027 1.00 0.00 C ATOM 590 CZ PHE B 176 17.354 -15.909 13.202 1.00 0.00 C ATOM 0 H PHE B 176 18.367 -10.791 16.147 1.00 0.00 H new ATOM 0 HA PHE B 176 18.680 -13.510 16.895 1.00 0.00 H new ATOM 0 HB2 PHE B 176 19.327 -11.774 14.626 1.00 0.00 H new ATOM 0 HB3 PHE B 176 20.647 -12.887 14.925 1.00 0.00 H new ATOM 0 HD1 PHE B 176 20.053 -15.404 15.210 1.00 0.00 H new ATOM 0 HD2 PHE B 176 17.365 -12.521 13.506 1.00 0.00 H new ATOM 0 HE1 PHE B 176 18.777 -17.234 14.126 1.00 0.00 H new ATOM 0 HE2 PHE B 176 16.094 -14.352 12.418 1.00 0.00 H new ATOM 0 HZ PHE B 176 16.799 -16.706 12.728 1.00 0.00 H new ATOM 600 N VAL B 177 21.349 -11.586 17.375 1.00 0.00 N ATOM 601 CA VAL B 177 22.661 -11.530 18.094 1.00 0.00 C ATOM 602 C VAL B 177 22.429 -11.816 19.580 1.00 0.00 C ATOM 603 O VAL B 177 23.231 -12.512 20.208 1.00 0.00 O ATOM 604 CB VAL B 177 23.332 -10.152 17.893 1.00 0.00 C ATOM 605 CG1 VAL B 177 24.673 -10.096 18.639 1.00 0.00 C ATOM 606 CG2 VAL B 177 23.589 -9.925 16.399 1.00 0.00 C ATOM 0 H VAL B 177 21.086 -10.724 16.898 1.00 0.00 H new ATOM 0 HA VAL B 177 23.333 -12.285 17.686 1.00 0.00 H new ATOM 0 HB VAL B 177 22.669 -9.380 18.285 1.00 0.00 H new ATOM 0 HG11 VAL B 177 25.133 -9.119 18.488 1.00 0.00 H new ATOM 0 HG12 VAL B 177 24.504 -10.256 19.704 1.00 0.00 H new ATOM 0 HG13 VAL B 177 25.335 -10.872 18.256 1.00 0.00 H new ATOM 0 HG21 VAL B 177 24.062 -8.954 16.255 1.00 0.00 H new ATOM 0 HG22 VAL B 177 24.245 -10.708 16.020 1.00 0.00 H new ATOM 0 HG23 VAL B 177 22.643 -9.951 15.859 1.00 0.00 H new ATOM 616 N ALA B 178 21.363 -11.296 20.151 1.00 0.00 N ATOM 617 CA ALA B 178 21.081 -11.537 21.602 1.00 0.00 C ATOM 618 C ALA B 178 20.911 -13.035 21.844 1.00 0.00 C ATOM 619 O ALA B 178 21.369 -13.560 22.865 1.00 0.00 O ATOM 620 CB ALA B 178 19.811 -10.792 22.025 1.00 0.00 C ATOM 0 H ALA B 178 20.676 -10.714 19.671 1.00 0.00 H new ATOM 0 HA ALA B 178 21.917 -11.166 22.196 1.00 0.00 H new ATOM 0 HB1 ALA B 178 19.617 -10.975 23.082 1.00 0.00 H new ATOM 0 HB2 ALA B 178 19.945 -9.723 21.861 1.00 0.00 H new ATOM 0 HB3 ALA B 178 18.967 -11.147 21.434 1.00 0.00 H new ATOM 626 N GLY B 179 20.265 -13.729 20.930 1.00 0.00 N ATOM 627 CA GLY B 179 20.055 -15.203 21.091 1.00 0.00 C ATOM 628 C GLY B 179 21.391 -15.935 20.953 1.00 0.00 C ATOM 629 O GLY B 179 21.676 -16.863 21.717 1.00 0.00 O ATOM 0 H GLY B 179 19.873 -13.332 20.076 1.00 0.00 H new ATOM 0 HA2 GLY B 179 19.614 -15.412 22.066 1.00 0.00 H new ATOM 0 HA3 GLY B 179 19.353 -15.564 20.339 1.00 0.00 H new ATOM 633 N VAL B 180 22.213 -15.536 20.000 1.00 0.00 N ATOM 634 CA VAL B 180 23.542 -16.204 19.804 1.00 0.00 C ATOM 635 C VAL B 180 24.434 -15.898 21.013 1.00 0.00 C ATOM 636 O VAL B 180 25.189 -16.764 21.467 1.00 0.00 O ATOM 637 CB VAL B 180 24.212 -15.708 18.505 1.00 0.00 C ATOM 638 CG1 VAL B 180 25.548 -16.430 18.288 1.00 0.00 C ATOM 639 CG2 VAL B 180 23.297 -16.001 17.309 1.00 0.00 C ATOM 0 H VAL B 180 22.016 -14.775 19.350 1.00 0.00 H new ATOM 0 HA VAL B 180 23.397 -17.281 19.718 1.00 0.00 H new ATOM 0 HB VAL B 180 24.386 -14.636 18.592 1.00 0.00 H new ATOM 0 HG11 VAL B 180 26.010 -16.071 17.368 1.00 0.00 H new ATOM 0 HG12 VAL B 180 26.211 -16.229 19.130 1.00 0.00 H new ATOM 0 HG13 VAL B 180 25.373 -17.503 18.211 1.00 0.00 H new ATOM 0 HG21 VAL B 180 23.772 -15.650 16.393 1.00 0.00 H new ATOM 0 HG22 VAL B 180 23.122 -17.075 17.239 1.00 0.00 H new ATOM 0 HG23 VAL B 180 22.345 -15.487 17.444 1.00 0.00 H new ATOM 649 N LEU B 181 24.362 -14.692 21.529 1.00 0.00 N ATOM 650 CA LEU B 181 25.200 -14.305 22.704 1.00 0.00 C ATOM 651 C LEU B 181 24.828 -15.193 23.889 1.00 0.00 C ATOM 652 O LEU B 181 25.707 -15.687 24.600 1.00 0.00 O ATOM 653 CB LEU B 181 24.958 -12.826 23.043 1.00 0.00 C ATOM 654 CG LEU B 181 25.989 -12.324 24.080 1.00 0.00 C ATOM 655 CD1 LEU B 181 26.165 -10.806 23.944 1.00 0.00 C ATOM 656 CD2 LEU B 181 25.503 -12.647 25.503 1.00 0.00 C ATOM 0 H LEU B 181 23.751 -13.954 21.180 1.00 0.00 H new ATOM 0 HA LEU B 181 26.257 -14.439 22.473 1.00 0.00 H new ATOM 0 HB2 LEU B 181 25.025 -12.225 22.136 1.00 0.00 H new ATOM 0 HB3 LEU B 181 23.949 -12.699 23.436 1.00 0.00 H new ATOM 0 HG LEU B 181 26.941 -12.823 23.898 1.00 0.00 H new ATOM 0 HD11 LEU B 181 26.892 -10.457 24.677 1.00 0.00 H new ATOM 0 HD12 LEU B 181 26.519 -10.569 22.941 1.00 0.00 H new ATOM 0 HD13 LEU B 181 25.209 -10.312 24.118 1.00 0.00 H new ATOM 0 HD21 LEU B 181 26.235 -12.290 26.227 1.00 0.00 H new ATOM 0 HD22 LEU B 181 24.547 -12.155 25.681 1.00 0.00 H new ATOM 0 HD23 LEU B 181 25.382 -13.725 25.610 1.00 0.00 H new ATOM 668 N THR B 182 23.549 -15.417 24.100 1.00 0.00 N ATOM 669 CA THR B 182 23.099 -16.287 25.233 1.00 0.00 C ATOM 670 C THR B 182 23.564 -17.715 24.978 1.00 0.00 C ATOM 671 O THR B 182 24.108 -18.374 25.871 1.00 0.00 O ATOM 672 CB THR B 182 21.565 -16.265 25.343 1.00 0.00 C ATOM 673 OG1 THR B 182 21.001 -16.114 24.048 1.00 0.00 O ATOM 674 CG2 THR B 182 21.108 -15.107 26.240 1.00 0.00 C ATOM 0 H THR B 182 22.795 -15.031 23.531 1.00 0.00 H new ATOM 0 HA THR B 182 23.526 -15.913 26.163 1.00 0.00 H new ATOM 0 HB THR B 182 21.230 -17.203 25.785 1.00 0.00 H new ATOM 0 HG1 THR B 182 21.575 -16.556 23.388 1.00 0.00 H new ATOM 0 HG21 THR B 182 20.020 -15.106 26.307 1.00 0.00 H new ATOM 0 HG22 THR B 182 21.533 -15.229 27.236 1.00 0.00 H new ATOM 0 HG23 THR B 182 21.446 -14.162 25.815 1.00 0.00 H new ATOM 682 N ALA B 183 23.350 -18.202 23.779 1.00 0.00 N ATOM 683 CA ALA B 183 23.756 -19.598 23.423 1.00 0.00 C ATOM 684 C ALA B 183 25.280 -19.743 23.486 1.00 0.00 C ATOM 685 O ALA B 183 25.787 -20.831 23.778 1.00 0.00 O ATOM 686 CB ALA B 183 23.257 -19.937 22.015 1.00 0.00 C ATOM 0 H ALA B 183 22.905 -17.683 23.022 1.00 0.00 H new ATOM 0 HA ALA B 183 23.311 -20.288 24.140 1.00 0.00 H new ATOM 0 HB1 ALA B 183 23.554 -20.954 21.759 1.00 0.00 H new ATOM 0 HB2 ALA B 183 22.170 -19.858 21.985 1.00 0.00 H new ATOM 0 HB3 ALA B 183 23.691 -19.240 21.298 1.00 0.00 H new ATOM 692 N SER B 184 26.014 -18.683 23.217 1.00 0.00 N ATOM 693 CA SER B 184 27.507 -18.758 23.254 1.00 0.00 C ATOM 694 C SER B 184 27.962 -19.015 24.685 1.00 0.00 C ATOM 695 O SER B 184 28.778 -19.906 24.942 1.00 0.00 O ATOM 696 CB SER B 184 28.110 -17.445 22.753 1.00 0.00 C ATOM 697 OG SER B 184 27.825 -17.296 21.368 1.00 0.00 O ATOM 0 H SER B 184 25.637 -17.767 22.973 1.00 0.00 H new ATOM 0 HA SER B 184 27.842 -19.571 22.610 1.00 0.00 H new ATOM 0 HB2 SER B 184 27.699 -16.605 23.313 1.00 0.00 H new ATOM 0 HB3 SER B 184 29.188 -17.440 22.917 1.00 0.00 H new ATOM 0 HG SER B 184 26.958 -16.853 21.258 1.00 0.00 H new ATOM 703 N LEU B 185 27.459 -18.235 25.608 1.00 0.00 N ATOM 704 CA LEU B 185 27.843 -18.374 27.045 1.00 0.00 C ATOM 705 C LEU B 185 27.400 -19.725 27.617 1.00 0.00 C ATOM 706 O LEU B 185 28.145 -20.345 28.383 1.00 0.00 O ATOM 707 CB LEU B 185 27.206 -17.220 27.856 1.00 0.00 C ATOM 708 CG LEU B 185 28.113 -15.964 27.911 1.00 0.00 C ATOM 709 CD1 LEU B 185 29.396 -16.265 28.698 1.00 0.00 C ATOM 710 CD2 LEU B 185 28.479 -15.468 26.498 1.00 0.00 C ATOM 0 H LEU B 185 26.785 -17.493 25.421 1.00 0.00 H new ATOM 0 HA LEU B 185 28.929 -18.325 27.118 1.00 0.00 H new ATOM 0 HB2 LEU B 185 26.247 -16.953 27.411 1.00 0.00 H new ATOM 0 HB3 LEU B 185 27.002 -17.562 28.871 1.00 0.00 H new ATOM 0 HG LEU B 185 27.552 -15.177 28.416 1.00 0.00 H new ATOM 0 HD11 LEU B 185 30.022 -15.373 28.728 1.00 0.00 H new ATOM 0 HD12 LEU B 185 29.138 -16.561 29.715 1.00 0.00 H new ATOM 0 HD13 LEU B 185 29.940 -17.074 28.211 1.00 0.00 H new ATOM 0 HD21 LEU B 185 29.115 -14.586 26.575 1.00 0.00 H new ATOM 0 HD22 LEU B 185 29.012 -16.254 25.963 1.00 0.00 H new ATOM 0 HD23 LEU B 185 27.569 -15.212 25.955 1.00 0.00 H new ATOM 722 N THR B 186 26.203 -20.176 27.294 1.00 0.00 N ATOM 723 CA THR B 186 25.701 -21.476 27.855 1.00 0.00 C ATOM 724 C THR B 186 26.470 -22.653 27.254 1.00 0.00 C ATOM 725 O THR B 186 26.908 -23.547 27.988 1.00 0.00 O ATOM 726 CB THR B 186 24.202 -21.625 27.555 1.00 0.00 C ATOM 727 OG1 THR B 186 23.565 -20.366 27.730 1.00 0.00 O ATOM 728 CG2 THR B 186 23.568 -22.647 28.509 1.00 0.00 C ATOM 0 H THR B 186 25.555 -19.699 26.667 1.00 0.00 H new ATOM 0 HA THR B 186 25.857 -21.474 28.934 1.00 0.00 H new ATOM 0 HB THR B 186 24.077 -21.971 26.529 1.00 0.00 H new ATOM 0 HG1 THR B 186 23.711 -19.812 26.935 1.00 0.00 H new ATOM 0 HG21 THR B 186 22.505 -22.743 28.286 1.00 0.00 H new ATOM 0 HG22 THR B 186 24.054 -23.614 28.382 1.00 0.00 H new ATOM 0 HG23 THR B 186 23.693 -22.311 29.538 1.00 0.00 H new ATOM 736 N ILE B 187 26.635 -22.681 25.948 1.00 0.00 N ATOM 737 CA ILE B 187 27.374 -23.813 25.294 1.00 0.00 C ATOM 738 C ILE B 187 28.846 -23.754 25.702 1.00 0.00 C ATOM 739 O ILE B 187 29.447 -24.781 26.030 1.00 0.00 O ATOM 740 CB ILE B 187 27.249 -23.748 23.759 1.00 0.00 C ATOM 741 CG1 ILE B 187 25.764 -23.723 23.356 1.00 0.00 C ATOM 742 CG2 ILE B 187 27.914 -24.987 23.137 1.00 0.00 C ATOM 743 CD1 ILE B 187 25.630 -23.257 21.903 1.00 0.00 C ATOM 0 H ILE B 187 26.289 -21.967 25.307 1.00 0.00 H new ATOM 0 HA ILE B 187 26.935 -24.754 25.625 1.00 0.00 H new ATOM 0 HB ILE B 187 27.740 -22.843 23.401 1.00 0.00 H new ATOM 0 HG12 ILE B 187 25.330 -24.716 23.471 1.00 0.00 H new ATOM 0 HG13 ILE B 187 25.210 -23.054 24.015 1.00 0.00 H new ATOM 0 HG21 ILE B 187 27.826 -24.941 22.052 1.00 0.00 H new ATOM 0 HG22 ILE B 187 28.968 -25.012 23.415 1.00 0.00 H new ATOM 0 HG23 ILE B 187 27.421 -25.887 23.503 1.00 0.00 H new ATOM 0 HD11 ILE B 187 24.577 -23.241 21.622 1.00 0.00 H new ATOM 0 HD12 ILE B 187 26.048 -22.255 21.802 1.00 0.00 H new ATOM 0 HD13 ILE B 187 26.169 -23.943 21.250 1.00 0.00 H new ATOM 755 N TRP B 188 29.432 -22.580 25.668 1.00 0.00 N ATOM 756 CA TRP B 188 30.873 -22.432 26.033 1.00 0.00 C ATOM 757 C TRP B 188 31.100 -22.932 27.459 1.00 0.00 C ATOM 758 O TRP B 188 32.127 -23.558 27.746 1.00 0.00 O ATOM 759 CB TRP B 188 31.295 -20.962 25.916 1.00 0.00 C ATOM 760 CG TRP B 188 32.783 -20.849 26.034 1.00 0.00 C ATOM 761 CD1 TRP B 188 33.667 -21.196 25.071 1.00 0.00 C ATOM 762 CD2 TRP B 188 33.573 -20.363 27.157 1.00 0.00 C ATOM 763 NE1 TRP B 188 34.948 -20.955 25.532 1.00 0.00 N ATOM 764 CE2 TRP B 188 34.943 -20.441 26.813 1.00 0.00 C ATOM 765 CE3 TRP B 188 33.237 -19.867 28.430 1.00 0.00 C ATOM 766 CZ2 TRP B 188 35.944 -20.041 27.699 1.00 0.00 C ATOM 767 CZ3 TRP B 188 34.242 -19.463 29.325 1.00 0.00 C ATOM 768 CH2 TRP B 188 35.592 -19.550 28.959 1.00 0.00 C ATOM 0 H TRP B 188 28.967 -21.712 25.400 1.00 0.00 H new ATOM 0 HA TRP B 188 31.478 -23.027 25.348 1.00 0.00 H new ATOM 0 HB2 TRP B 188 30.965 -20.555 24.960 1.00 0.00 H new ATOM 0 HB3 TRP B 188 30.814 -20.373 26.697 1.00 0.00 H new ATOM 0 HD1 TRP B 188 33.414 -21.596 24.100 1.00 0.00 H new ATOM 0 HE1 TRP B 188 35.794 -21.135 24.991 1.00 0.00 H new ATOM 0 HE3 TRP B 188 32.199 -19.796 28.721 1.00 0.00 H new ATOM 0 HZ2 TRP B 188 36.983 -20.110 27.413 1.00 0.00 H new ATOM 0 HZ3 TRP B 188 33.973 -19.084 30.300 1.00 0.00 H new ATOM 0 HH2 TRP B 188 36.360 -19.238 29.651 1.00 0.00 H new ATOM 779 N LYS B 189 30.174 -22.662 28.353 1.00 0.00 N ATOM 780 CA LYS B 189 30.328 -23.106 29.774 1.00 0.00 C ATOM 781 C LYS B 189 30.379 -24.633 29.841 1.00 0.00 C ATOM 782 O LYS B 189 31.152 -25.194 30.626 1.00 0.00 O ATOM 783 CB LYS B 189 29.169 -22.571 30.625 1.00 0.00 C ATOM 784 CG LYS B 189 29.445 -22.842 32.112 1.00 0.00 C ATOM 785 CD LYS B 189 28.549 -21.945 32.977 1.00 0.00 C ATOM 786 CE LYS B 189 28.870 -22.166 34.460 1.00 0.00 C ATOM 787 NZ LYS B 189 28.372 -21.005 35.251 1.00 0.00 N ATOM 0 H LYS B 189 29.314 -22.150 28.155 1.00 0.00 H new ATOM 0 HA LYS B 189 31.261 -22.707 30.171 1.00 0.00 H new ATOM 0 HB2 LYS B 189 29.047 -21.501 30.458 1.00 0.00 H new ATOM 0 HB3 LYS B 189 28.236 -23.049 30.326 1.00 0.00 H new ATOM 0 HG2 LYS B 189 29.256 -23.891 32.342 1.00 0.00 H new ATOM 0 HG3 LYS B 189 30.494 -22.650 32.338 1.00 0.00 H new ATOM 0 HD2 LYS B 189 28.704 -20.899 32.714 1.00 0.00 H new ATOM 0 HD3 LYS B 189 27.500 -22.170 32.785 1.00 0.00 H new ATOM 0 HE2 LYS B 189 28.404 -23.087 34.811 1.00 0.00 H new ATOM 0 HE3 LYS B 189 29.945 -22.280 34.598 1.00 0.00 H new ATOM 0 HZ1 LYS B 189 28.588 -21.152 36.258 1.00 0.00 H new ATOM 0 HZ2 LYS B 189 28.836 -20.135 34.921 1.00 0.00 H new ATOM 0 HZ3 LYS B 189 27.343 -20.916 35.128 1.00 0.00 H new ATOM 801 N LYS B 190 29.582 -25.312 29.043 1.00 0.00 N ATOM 802 CA LYS B 190 29.586 -26.817 29.059 1.00 0.00 C ATOM 803 C LYS B 190 30.718 -27.367 28.177 1.00 0.00 C ATOM 804 O LYS B 190 30.994 -28.572 28.207 1.00 0.00 O ATOM 805 CB LYS B 190 28.234 -27.375 28.581 1.00 0.00 C ATOM 806 CG LYS B 190 27.892 -26.835 27.187 1.00 0.00 C ATOM 807 CD LYS B 190 26.592 -27.478 26.685 1.00 0.00 C ATOM 808 CE LYS B 190 26.870 -28.906 26.205 1.00 0.00 C ATOM 809 NZ LYS B 190 25.650 -29.456 25.549 1.00 0.00 N ATOM 0 H LYS B 190 28.930 -24.890 28.382 1.00 0.00 H new ATOM 0 HA LYS B 190 29.752 -27.138 30.087 1.00 0.00 H new ATOM 0 HB2 LYS B 190 28.272 -28.464 28.556 1.00 0.00 H new ATOM 0 HB3 LYS B 190 27.450 -27.099 29.287 1.00 0.00 H new ATOM 0 HG2 LYS B 190 27.782 -25.751 27.224 1.00 0.00 H new ATOM 0 HG3 LYS B 190 28.706 -27.049 26.494 1.00 0.00 H new ATOM 0 HD2 LYS B 190 25.850 -27.491 27.484 1.00 0.00 H new ATOM 0 HD3 LYS B 190 26.174 -26.886 25.871 1.00 0.00 H new ATOM 0 HE2 LYS B 190 27.705 -28.910 25.505 1.00 0.00 H new ATOM 0 HE3 LYS B 190 27.158 -29.535 27.048 1.00 0.00 H new ATOM 0 HZ1 LYS B 190 25.838 -30.425 25.223 1.00 0.00 H new ATOM 0 HZ2 LYS B 190 24.864 -29.466 26.230 1.00 0.00 H new ATOM 0 HZ3 LYS B 190 25.395 -28.861 24.735 1.00 0.00 H new ATOM 823 N MET B 191 31.379 -26.525 27.404 1.00 0.00 N ATOM 824 CA MET B 191 32.498 -26.999 26.527 1.00 0.00 C ATOM 825 C MET B 191 33.825 -26.892 27.292 1.00 0.00 C ATOM 826 O MET B 191 34.877 -26.605 26.704 1.00 0.00 O ATOM 827 CB MET B 191 32.553 -26.152 25.248 1.00 0.00 C ATOM 828 CG MET B 191 31.431 -26.576 24.296 1.00 0.00 C ATOM 829 SD MET B 191 31.514 -25.579 22.786 1.00 0.00 S ATOM 830 CE MET B 191 30.470 -26.632 21.744 1.00 0.00 C ATOM 0 H MET B 191 31.186 -25.525 27.347 1.00 0.00 H new ATOM 0 HA MET B 191 32.328 -28.039 26.249 1.00 0.00 H new ATOM 0 HB2 MET B 191 32.452 -25.095 25.496 1.00 0.00 H new ATOM 0 HB3 MET B 191 33.521 -26.274 24.761 1.00 0.00 H new ATOM 0 HG2 MET B 191 31.527 -27.634 24.052 1.00 0.00 H new ATOM 0 HG3 MET B 191 30.462 -26.446 24.778 1.00 0.00 H new ATOM 0 HE1 MET B 191 29.875 -26.008 21.077 1.00 0.00 H new ATOM 0 HE2 MET B 191 31.099 -27.298 21.153 1.00 0.00 H new ATOM 0 HE3 MET B 191 29.807 -27.224 22.374 1.00 0.00 H new