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= -0.0904 X(o=-0.09,f=0) USER MOD Single : A 172 THR OG1 : rot 180:sc= -0.179 USER MOD Single : A 174 THR OG1 : rot 150:sc= -0.764 USER MOD Single : A 182 THR OG1 : rot 90:sc= 1.19 USER MOD Single : A 184 SER OG : rot 180:sc= 0 USER MOD Single : A 186 THR OG1 : rot 180:sc= -0.337 USER MOD Single : B 172 THR OG1 : rot 34:sc= 0.325 USER MOD Single : B 174 THR OG1 : rot 180:sc= 0 USER MOD Single : B 182 THR OG1 : rot 114:sc= 1.12 USER MOD Single : B 184 SER OG : rot 180:sc= 0 USER MOD Single : B 186 THR OG1 : rot -48:sc= 0.224 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 156:sc= 0 (180deg=-0.708) USER MOD ----------------------------------------------------------------- ATOM 76 N GLN A 171 6.108 -14.741 16.131 1.00 0.00 N ATOM 77 CA GLN A 171 7.326 -14.392 15.333 1.00 0.00 C ATOM 78 C GLN A 171 8.434 -13.860 16.250 1.00 0.00 C ATOM 79 O GLN A 171 9.620 -14.082 15.979 1.00 0.00 O ATOM 80 CB GLN A 171 6.960 -13.342 14.264 1.00 0.00 C ATOM 81 CG GLN A 171 6.504 -12.020 14.919 1.00 0.00 C ATOM 82 CD GLN A 171 5.620 -11.197 13.967 1.00 0.00 C ATOM 83 OE1 GLN A 171 4.694 -10.523 14.419 1.00 0.00 O ATOM 84 NE2 GLN A 171 5.851 -11.199 12.677 1.00 0.00 N ATOM 0 HA GLN A 171 7.697 -15.290 14.838 1.00 0.00 H new ATOM 0 HB2 GLN A 171 7.821 -13.156 13.622 1.00 0.00 H new ATOM 0 HB3 GLN A 171 6.165 -13.729 13.626 1.00 0.00 H new ATOM 0 HG2 GLN A 171 5.952 -12.237 15.834 1.00 0.00 H new ATOM 0 HG3 GLN A 171 7.377 -11.434 15.205 1.00 0.00 H new ATOM 0 HE21 GLN A 171 6.617 -11.755 12.297 1.00 0.00 H new ATOM 0 HE22 GLN A 171 5.265 -10.644 12.053 1.00 0.00 H new ATOM 93 N THR A 172 8.078 -13.160 17.307 1.00 0.00 N ATOM 94 CA THR A 172 9.113 -12.597 18.235 1.00 0.00 C ATOM 95 C THR A 172 9.822 -13.728 18.978 1.00 0.00 C ATOM 96 O THR A 172 11.055 -13.756 19.050 1.00 0.00 O ATOM 97 CB THR A 172 8.444 -11.676 19.260 1.00 0.00 C ATOM 98 OG1 THR A 172 7.443 -12.405 19.957 1.00 0.00 O ATOM 99 CG2 THR A 172 7.802 -10.482 18.548 1.00 0.00 C ATOM 0 H THR A 172 7.113 -12.955 17.565 1.00 0.00 H new ATOM 0 HA THR A 172 9.838 -12.034 17.648 1.00 0.00 H new ATOM 0 HB THR A 172 9.194 -11.311 19.962 1.00 0.00 H new ATOM 0 HG1 THR A 172 7.012 -11.821 20.616 1.00 0.00 H new ATOM 0 HG21 THR A 172 7.328 -9.832 19.283 1.00 0.00 H new ATOM 0 HG22 THR A 172 8.568 -9.924 18.010 1.00 0.00 H new ATOM 0 HG23 THR A 172 7.052 -10.839 17.843 1.00 0.00 H new ATOM 107 N VAL A 173 9.075 -14.651 19.542 1.00 0.00 N ATOM 108 CA VAL A 173 9.700 -15.782 20.297 1.00 0.00 C ATOM 109 C VAL A 173 10.441 -16.720 19.337 1.00 0.00 C ATOM 110 O VAL A 173 11.511 -17.235 19.672 1.00 0.00 O ATOM 111 CB VAL A 173 8.640 -16.547 21.111 1.00 0.00 C ATOM 112 CG1 VAL A 173 7.991 -15.593 22.120 1.00 0.00 C ATOM 113 CG2 VAL A 173 7.554 -17.114 20.189 1.00 0.00 C ATOM 0 H VAL A 173 8.056 -14.667 19.510 1.00 0.00 H new ATOM 0 HA VAL A 173 10.426 -15.371 20.999 1.00 0.00 H new ATOM 0 HB VAL A 173 9.128 -17.372 21.630 1.00 0.00 H new ATOM 0 HG11 VAL A 173 7.240 -16.131 22.698 1.00 0.00 H new ATOM 0 HG12 VAL A 173 8.754 -15.200 22.792 1.00 0.00 H new ATOM 0 HG13 VAL A 173 7.517 -14.768 21.588 1.00 0.00 H new ATOM 0 HG21 VAL A 173 6.815 -17.651 20.784 1.00 0.00 H new ATOM 0 HG22 VAL A 173 7.067 -16.298 19.656 1.00 0.00 H new ATOM 0 HG23 VAL A 173 8.007 -17.797 19.471 1.00 0.00 H new ATOM 123 N THR A 174 9.880 -16.966 18.174 1.00 0.00 N ATOM 124 CA THR A 174 10.515 -17.897 17.186 1.00 0.00 C ATOM 125 C THR A 174 11.846 -17.349 16.671 1.00 0.00 C ATOM 126 O THR A 174 12.786 -18.124 16.468 1.00 0.00 O ATOM 127 CB THR A 174 9.571 -18.134 16.004 1.00 0.00 C ATOM 128 OG1 THR A 174 9.210 -16.887 15.430 1.00 0.00 O ATOM 129 CG2 THR A 174 8.315 -18.862 16.488 1.00 0.00 C ATOM 0 H THR A 174 8.999 -16.556 17.865 1.00 0.00 H new ATOM 0 HA THR A 174 10.709 -18.839 17.699 1.00 0.00 H new ATOM 0 HB THR A 174 10.074 -18.745 15.254 1.00 0.00 H new ATOM 0 HG1 THR A 174 9.040 -17.005 14.472 1.00 0.00 H new ATOM 0 HG21 THR A 174 7.644 -19.030 15.645 1.00 0.00 H new ATOM 0 HG22 THR A 174 8.596 -19.820 16.925 1.00 0.00 H new ATOM 0 HG23 THR A 174 7.809 -18.255 17.239 1.00 0.00 H new ATOM 137 N ILE A 175 11.948 -16.055 16.429 1.00 0.00 N ATOM 138 CA ILE A 175 13.232 -15.489 15.895 1.00 0.00 C ATOM 139 C ILE A 175 14.342 -15.649 16.943 1.00 0.00 C ATOM 140 O ILE A 175 15.480 -15.989 16.600 1.00 0.00 O ATOM 141 CB ILE A 175 13.042 -14.008 15.456 1.00 0.00 C ATOM 142 CG1 ILE A 175 14.142 -13.625 14.441 1.00 0.00 C ATOM 143 CG2 ILE A 175 13.085 -13.037 16.655 1.00 0.00 C ATOM 144 CD1 ILE A 175 13.810 -14.211 13.062 1.00 0.00 C ATOM 0 H ILE A 175 11.203 -15.375 16.578 1.00 0.00 H new ATOM 0 HA ILE A 175 13.531 -16.043 15.005 1.00 0.00 H new ATOM 0 HB ILE A 175 12.057 -13.923 14.997 1.00 0.00 H new ATOM 0 HG12 ILE A 175 14.225 -12.540 14.374 1.00 0.00 H new ATOM 0 HG13 ILE A 175 15.108 -13.998 14.781 1.00 0.00 H new ATOM 0 HG21 ILE A 175 12.948 -12.015 16.301 1.00 0.00 H new ATOM 0 HG22 ILE A 175 12.288 -13.288 17.355 1.00 0.00 H new ATOM 0 HG23 ILE A 175 14.049 -13.121 17.157 1.00 0.00 H new ATOM 0 HD11 ILE A 175 14.590 -13.936 12.352 1.00 0.00 H new ATOM 0 HD12 ILE A 175 13.750 -15.297 13.133 1.00 0.00 H new ATOM 0 HD13 ILE A 175 12.853 -13.816 12.720 1.00 0.00 H new ATOM 156 N PHE A 176 14.031 -15.417 18.202 1.00 0.00 N ATOM 157 CA PHE A 176 15.063 -15.558 19.281 1.00 0.00 C ATOM 158 C PHE A 176 15.506 -17.017 19.350 1.00 0.00 C ATOM 159 O PHE A 176 16.701 -17.309 19.450 1.00 0.00 O ATOM 160 CB PHE A 176 14.482 -15.141 20.639 1.00 0.00 C ATOM 161 CG PHE A 176 15.602 -14.860 21.623 1.00 0.00 C ATOM 162 CD1 PHE A 176 16.053 -13.550 21.805 1.00 0.00 C ATOM 163 CD2 PHE A 176 16.181 -15.906 22.356 1.00 0.00 C ATOM 164 CE1 PHE A 176 17.080 -13.278 22.714 1.00 0.00 C ATOM 165 CE2 PHE A 176 17.212 -15.633 23.265 1.00 0.00 C ATOM 166 CZ PHE A 176 17.661 -14.320 23.445 1.00 0.00 C ATOM 0 H PHE A 176 13.106 -15.136 18.526 1.00 0.00 H new ATOM 0 HA PHE A 176 15.911 -14.913 19.051 1.00 0.00 H new ATOM 0 HB2 PHE A 176 13.861 -14.253 20.520 1.00 0.00 H new ATOM 0 HB3 PHE A 176 13.838 -15.931 21.025 1.00 0.00 H new ATOM 0 HD1 PHE A 176 15.606 -12.744 21.241 1.00 0.00 H new ATOM 0 HD2 PHE A 176 15.833 -16.919 22.220 1.00 0.00 H new ATOM 0 HE1 PHE A 176 17.425 -12.264 22.852 1.00 0.00 H new ATOM 0 HE2 PHE A 176 17.661 -16.438 23.828 1.00 0.00 H new ATOM 0 HZ PHE A 176 18.455 -14.111 24.147 1.00 0.00 H new ATOM 176 N VAL A 177 14.560 -17.930 19.304 1.00 0.00 N ATOM 177 CA VAL A 177 14.889 -19.390 19.379 1.00 0.00 C ATOM 178 C VAL A 177 15.652 -19.804 18.118 1.00 0.00 C ATOM 179 O VAL A 177 16.590 -20.604 18.196 1.00 0.00 O ATOM 180 CB VAL A 177 13.600 -20.225 19.548 1.00 0.00 C ATOM 181 CG1 VAL A 177 13.940 -21.717 19.649 1.00 0.00 C ATOM 182 CG2 VAL A 177 12.883 -19.793 20.834 1.00 0.00 C ATOM 0 H VAL A 177 13.565 -17.722 19.217 1.00 0.00 H new ATOM 0 HA VAL A 177 15.520 -19.576 20.248 1.00 0.00 H new ATOM 0 HB VAL A 177 12.959 -20.061 18.682 1.00 0.00 H new ATOM 0 HG11 VAL A 177 13.022 -22.292 19.768 1.00 0.00 H new ATOM 0 HG12 VAL A 177 14.453 -22.036 18.742 1.00 0.00 H new ATOM 0 HG13 VAL A 177 14.587 -21.885 20.510 1.00 0.00 H new ATOM 0 HG21 VAL A 177 11.973 -20.380 20.958 1.00 0.00 H new ATOM 0 HG22 VAL A 177 13.539 -19.957 21.689 1.00 0.00 H new ATOM 0 HG23 VAL A 177 12.627 -18.735 20.770 1.00 0.00 H new ATOM 192 N ALA A 178 15.266 -19.292 16.970 1.00 0.00 N ATOM 193 CA ALA A 178 15.960 -19.661 15.697 1.00 0.00 C ATOM 194 C ALA A 178 17.434 -19.271 15.794 1.00 0.00 C ATOM 195 O ALA A 178 18.306 -20.017 15.342 1.00 0.00 O ATOM 196 CB ALA A 178 15.296 -18.948 14.510 1.00 0.00 C ATOM 0 H ALA A 178 14.496 -18.632 16.863 1.00 0.00 H new ATOM 0 HA ALA A 178 15.884 -20.737 15.540 1.00 0.00 H new ATOM 0 HB1 ALA A 178 15.808 -19.223 13.588 1.00 0.00 H new ATOM 0 HB2 ALA A 178 14.249 -19.245 14.446 1.00 0.00 H new ATOM 0 HB3 ALA A 178 15.359 -17.869 14.652 1.00 0.00 H new ATOM 202 N GLY A 179 17.725 -18.125 16.373 1.00 0.00 N ATOM 203 CA GLY A 179 19.145 -17.671 16.506 1.00 0.00 C ATOM 204 C GLY A 179 19.911 -18.635 17.413 1.00 0.00 C ATOM 205 O GLY A 179 21.058 -18.990 17.118 1.00 0.00 O ATOM 0 H GLY A 179 17.033 -17.484 16.760 1.00 0.00 H new ATOM 0 HA2 GLY A 179 19.617 -17.628 15.524 1.00 0.00 H new ATOM 0 HA3 GLY A 179 19.178 -16.663 16.920 1.00 0.00 H new ATOM 209 N VAL A 180 19.305 -19.063 18.504 1.00 0.00 N ATOM 210 CA VAL A 180 19.993 -20.009 19.442 1.00 0.00 C ATOM 211 C VAL A 180 20.178 -21.349 18.730 1.00 0.00 C ATOM 212 O VAL A 180 21.247 -21.964 18.812 1.00 0.00 O ATOM 213 CB VAL A 180 19.155 -20.204 20.722 1.00 0.00 C ATOM 214 CG1 VAL A 180 19.896 -21.113 21.712 1.00 0.00 C ATOM 215 CG2 VAL A 180 18.899 -18.851 21.393 1.00 0.00 C ATOM 0 H VAL A 180 18.361 -18.795 18.782 1.00 0.00 H new ATOM 0 HA VAL A 180 20.962 -19.600 19.729 1.00 0.00 H new ATOM 0 HB VAL A 180 18.207 -20.664 20.443 1.00 0.00 H new ATOM 0 HG11 VAL A 180 19.292 -21.241 22.610 1.00 0.00 H new ATOM 0 HG12 VAL A 180 20.072 -22.085 21.252 1.00 0.00 H new ATOM 0 HG13 VAL A 180 20.851 -20.659 21.978 1.00 0.00 H new ATOM 0 HG21 VAL A 180 18.307 -18.999 22.296 1.00 0.00 H new ATOM 0 HG22 VAL A 180 19.851 -18.389 21.655 1.00 0.00 H new ATOM 0 HG23 VAL A 180 18.357 -18.201 20.706 1.00 0.00 H new ATOM 225 N LEU A 181 19.154 -21.805 18.048 1.00 0.00 N ATOM 226 CA LEU A 181 19.225 -23.110 17.326 1.00 0.00 C ATOM 227 C LEU A 181 20.293 -23.037 16.237 1.00 0.00 C ATOM 228 O LEU A 181 21.078 -23.972 16.071 1.00 0.00 O ATOM 229 CB LEU A 181 17.855 -23.427 16.706 1.00 0.00 C ATOM 230 CG LEU A 181 17.772 -24.916 16.302 1.00 0.00 C ATOM 231 CD1 LEU A 181 16.307 -25.372 16.298 1.00 0.00 C ATOM 232 CD2 LEU A 181 18.360 -25.113 14.895 1.00 0.00 C ATOM 0 H LEU A 181 18.261 -21.320 17.962 1.00 0.00 H new ATOM 0 HA LEU A 181 19.490 -23.902 18.027 1.00 0.00 H new ATOM 0 HB2 LEU A 181 17.064 -23.194 17.419 1.00 0.00 H new ATOM 0 HB3 LEU A 181 17.691 -22.798 15.831 1.00 0.00 H new ATOM 0 HG LEU A 181 18.340 -25.506 17.021 1.00 0.00 H new ATOM 0 HD11 LEU A 181 16.254 -26.423 16.012 1.00 0.00 H new ATOM 0 HD12 LEU A 181 15.884 -25.245 17.294 1.00 0.00 H new ATOM 0 HD13 LEU A 181 15.741 -24.773 15.584 1.00 0.00 H new ATOM 0 HD21 LEU A 181 18.297 -26.165 14.619 1.00 0.00 H new ATOM 0 HD22 LEU A 181 17.797 -24.515 14.178 1.00 0.00 H new ATOM 0 HD23 LEU A 181 19.403 -24.798 14.889 1.00 0.00 H new ATOM 244 N THR A 182 20.341 -21.948 15.503 1.00 0.00 N ATOM 245 CA THR A 182 21.357 -21.801 14.412 1.00 0.00 C ATOM 246 C THR A 182 22.764 -21.915 14.990 1.00 0.00 C ATOM 247 O THR A 182 23.650 -22.507 14.363 1.00 0.00 O ATOM 248 CB THR A 182 21.190 -20.443 13.718 1.00 0.00 C ATOM 249 OG1 THR A 182 19.825 -20.255 13.372 1.00 0.00 O ATOM 250 CG2 THR A 182 22.045 -20.398 12.449 1.00 0.00 C ATOM 0 H THR A 182 19.715 -21.150 15.615 1.00 0.00 H new ATOM 0 HA THR A 182 21.206 -22.596 13.681 1.00 0.00 H new ATOM 0 HB THR A 182 21.511 -19.652 14.396 1.00 0.00 H new ATOM 0 HG1 THR A 182 19.357 -19.817 14.113 1.00 0.00 H new ATOM 0 HG21 THR A 182 21.922 -19.431 11.961 1.00 0.00 H new ATOM 0 HG22 THR A 182 23.093 -20.541 12.711 1.00 0.00 H new ATOM 0 HG23 THR A 182 21.730 -21.190 11.770 1.00 0.00 H new ATOM 258 N ALA A 183 22.994 -21.347 16.154 1.00 0.00 N ATOM 259 CA ALA A 183 24.354 -21.397 16.773 1.00 0.00 C ATOM 260 C ALA A 183 24.677 -22.805 17.253 1.00 0.00 C ATOM 261 O ALA A 183 25.827 -23.249 17.146 1.00 0.00 O ATOM 262 CB ALA A 183 24.441 -20.416 17.944 1.00 0.00 C ATOM 0 H ALA A 183 22.292 -20.849 16.702 1.00 0.00 H new ATOM 0 HA ALA A 183 25.083 -21.112 16.014 1.00 0.00 H new ATOM 0 HB1 ALA A 183 25.437 -20.463 18.385 1.00 0.00 H new ATOM 0 HB2 ALA A 183 24.250 -19.404 17.586 1.00 0.00 H new ATOM 0 HB3 ALA A 183 23.698 -20.681 18.696 1.00 0.00 H new ATOM 268 N SER A 184 23.705 -23.513 17.778 1.00 0.00 N ATOM 269 CA SER A 184 23.956 -24.901 18.272 1.00 0.00 C ATOM 270 C SER A 184 24.476 -25.751 17.114 1.00 0.00 C ATOM 271 O SER A 184 25.448 -26.498 17.260 1.00 0.00 O ATOM 272 CB SER A 184 22.662 -25.511 18.813 1.00 0.00 C ATOM 273 OG SER A 184 22.972 -26.672 19.573 1.00 0.00 O ATOM 0 H SER A 184 22.745 -23.186 17.885 1.00 0.00 H new ATOM 0 HA SER A 184 24.692 -24.872 19.075 1.00 0.00 H new ATOM 0 HB2 SER A 184 22.136 -24.786 19.434 1.00 0.00 H new ATOM 0 HB3 SER A 184 21.996 -25.768 17.990 1.00 0.00 H new ATOM 0 HG SER A 184 22.145 -27.065 19.923 1.00 0.00 H new ATOM 279 N LEU A 185 23.829 -25.649 15.979 1.00 0.00 N ATOM 280 CA LEU A 185 24.226 -26.439 14.773 1.00 0.00 C ATOM 281 C LEU A 185 25.618 -26.043 14.274 1.00 0.00 C ATOM 282 O LEU A 185 26.401 -26.915 13.886 1.00 0.00 O ATOM 283 CB LEU A 185 23.187 -26.214 13.652 1.00 0.00 C ATOM 284 CG LEU A 185 21.957 -27.149 13.784 1.00 0.00 C ATOM 285 CD1 LEU A 185 22.345 -28.585 13.413 1.00 0.00 C ATOM 286 CD2 LEU A 185 21.359 -27.114 15.210 1.00 0.00 C ATOM 0 H LEU A 185 23.025 -25.038 15.836 1.00 0.00 H new ATOM 0 HA LEU A 185 24.258 -27.493 15.050 1.00 0.00 H new ATOM 0 HB2 LEU A 185 22.854 -25.176 13.673 1.00 0.00 H new ATOM 0 HB3 LEU A 185 23.661 -26.377 12.684 1.00 0.00 H new ATOM 0 HG LEU A 185 21.193 -26.789 13.095 1.00 0.00 H new ATOM 0 HD11 LEU A 185 21.474 -29.234 13.509 1.00 0.00 H new ATOM 0 HD12 LEU A 185 22.705 -28.610 12.384 1.00 0.00 H new ATOM 0 HD13 LEU A 185 23.132 -28.933 14.081 1.00 0.00 H new ATOM 0 HD21 LEU A 185 20.499 -27.782 15.261 1.00 0.00 H new ATOM 0 HD22 LEU A 185 22.112 -27.437 15.929 1.00 0.00 H new ATOM 0 HD23 LEU A 185 21.043 -26.098 15.447 1.00 0.00 H new ATOM 298 N THR A 186 25.932 -24.762 14.238 1.00 0.00 N ATOM 299 CA THR A 186 27.269 -24.321 13.719 1.00 0.00 C ATOM 300 C THR A 186 28.381 -24.739 14.670 1.00 0.00 C ATOM 301 O THR A 186 29.404 -25.278 14.235 1.00 0.00 O ATOM 302 CB THR A 186 27.295 -22.799 13.558 1.00 0.00 C ATOM 303 OG1 THR A 186 26.763 -22.192 14.726 1.00 0.00 O ATOM 304 CG2 THR A 186 26.461 -22.395 12.344 1.00 0.00 C ATOM 0 H THR A 186 25.319 -24.007 14.546 1.00 0.00 H new ATOM 0 HA THR A 186 27.429 -24.797 12.751 1.00 0.00 H new ATOM 0 HB THR A 186 28.323 -22.468 13.412 1.00 0.00 H new ATOM 0 HG1 THR A 186 26.780 -21.217 14.625 1.00 0.00 H new ATOM 0 HG21 THR A 186 26.482 -21.311 12.233 1.00 0.00 H new ATOM 0 HG22 THR A 186 26.873 -22.860 11.448 1.00 0.00 H new ATOM 0 HG23 THR A 186 25.432 -22.726 12.483 1.00 0.00 H new ATOM 312 N ILE A 187 28.212 -24.488 15.946 1.00 0.00 N ATOM 313 CA ILE A 187 29.267 -24.853 16.940 1.00 0.00 C ATOM 314 C ILE A 187 29.374 -26.376 17.019 1.00 0.00 C ATOM 315 O ILE A 187 30.470 -26.936 16.933 1.00 0.00 O ATOM 316 CB ILE A 187 28.933 -24.277 18.333 1.00 0.00 C ATOM 317 CG1 ILE A 187 28.736 -22.753 18.239 1.00 0.00 C ATOM 318 CG2 ILE A 187 30.082 -24.577 19.312 1.00 0.00 C ATOM 319 CD1 ILE A 187 28.011 -22.249 19.492 1.00 0.00 C ATOM 0 H ILE A 187 27.384 -24.044 16.342 1.00 0.00 H new ATOM 0 HA ILE A 187 30.218 -24.430 16.617 1.00 0.00 H new ATOM 0 HB ILE A 187 28.015 -24.741 18.693 1.00 0.00 H new ATOM 0 HG12 ILE A 187 29.702 -22.257 18.141 1.00 0.00 H new ATOM 0 HG13 ILE A 187 28.159 -22.505 17.348 1.00 0.00 H new ATOM 0 HG21 ILE A 187 29.840 -24.168 20.293 1.00 0.00 H new ATOM 0 HG22 ILE A 187 30.219 -25.655 19.392 1.00 0.00 H new ATOM 0 HG23 ILE A 187 31.001 -24.120 18.945 1.00 0.00 H new ATOM 0 HD11 ILE A 187 27.873 -21.170 19.423 1.00 0.00 H new ATOM 0 HD12 ILE A 187 27.039 -22.735 19.570 1.00 0.00 H new ATOM 0 HD13 ILE A 187 28.605 -22.483 20.375 1.00 0.00 H new ATOM 331 N TRP A 188 28.261 -27.043 17.202 1.00 0.00 N ATOM 332 CA TRP A 188 28.266 -28.533 17.318 1.00 0.00 C ATOM 333 C TRP A 188 28.829 -29.158 16.041 1.00 0.00 C ATOM 334 O TRP A 188 29.566 -30.148 16.101 1.00 0.00 O ATOM 335 CB TRP A 188 26.837 -29.033 17.567 1.00 0.00 C ATOM 336 CG TRP A 188 26.841 -30.497 17.903 1.00 0.00 C ATOM 337 CD1 TRP A 188 27.455 -31.054 18.974 1.00 0.00 C ATOM 338 CD2 TRP A 188 26.200 -31.590 17.184 1.00 0.00 C ATOM 339 NE1 TRP A 188 27.237 -32.420 18.953 1.00 0.00 N ATOM 340 CE2 TRP A 188 26.467 -32.798 17.871 1.00 0.00 C ATOM 341 CE3 TRP A 188 25.422 -31.649 16.014 1.00 0.00 C ATOM 342 CZ2 TRP A 188 25.979 -34.024 17.410 1.00 0.00 C ATOM 343 CZ3 TRP A 188 24.928 -32.880 15.549 1.00 0.00 C ATOM 344 CH2 TRP A 188 25.206 -34.064 16.247 1.00 0.00 C ATOM 0 H TRP A 188 27.339 -26.613 17.277 1.00 0.00 H new ATOM 0 HA TRP A 188 28.899 -28.826 18.156 1.00 0.00 H new ATOM 0 HB2 TRP A 188 26.385 -28.468 18.382 1.00 0.00 H new ATOM 0 HB3 TRP A 188 26.225 -28.859 16.682 1.00 0.00 H new ATOM 0 HD1 TRP A 188 28.022 -30.519 19.722 1.00 0.00 H new ATOM 0 HE1 TRP A 188 27.601 -33.069 19.651 1.00 0.00 H new ATOM 0 HE3 TRP A 188 25.203 -30.743 15.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 188 26.198 -34.934 17.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 188 24.331 -32.914 14.649 1.00 0.00 H new ATOM 0 HH2 TRP A 188 24.823 -35.007 15.886 1.00 0.00 H new ATOM 517 N THR B 172 15.583 -6.042 15.119 1.00 0.00 N ATOM 518 CA THR B 172 15.757 -7.372 14.455 1.00 0.00 C ATOM 519 C THR B 172 17.196 -7.835 14.642 1.00 0.00 C ATOM 520 O THR B 172 17.456 -9.018 14.887 1.00 0.00 O ATOM 521 CB THR B 172 15.437 -7.267 12.956 1.00 0.00 C ATOM 522 OG1 THR B 172 14.220 -6.554 12.789 1.00 0.00 O ATOM 523 CG2 THR B 172 15.296 -8.665 12.322 1.00 0.00 C ATOM 0 HA THR B 172 15.074 -8.092 14.906 1.00 0.00 H new ATOM 0 HB THR B 172 16.255 -6.744 12.462 1.00 0.00 H new ATOM 0 HG1 THR B 172 14.146 -5.866 13.483 1.00 0.00 H new ATOM 0 HG21 THR B 172 15.070 -8.562 11.261 1.00 0.00 H new ATOM 0 HG22 THR B 172 16.229 -9.215 12.442 1.00 0.00 H new ATOM 0 HG23 THR B 172 14.489 -9.208 12.814 1.00 0.00 H new ATOM 531 N VAL B 173 18.132 -6.927 14.518 1.00 0.00 N ATOM 532 CA VAL B 173 19.579 -7.279 14.676 1.00 0.00 C ATOM 533 C VAL B 173 19.842 -7.642 16.135 1.00 0.00 C ATOM 534 O VAL B 173 20.544 -8.613 16.428 1.00 0.00 O ATOM 535 CB VAL B 173 20.493 -6.099 14.281 1.00 0.00 C ATOM 536 CG1 VAL B 173 21.922 -6.606 14.082 1.00 0.00 C ATOM 537 CG2 VAL B 173 20.014 -5.448 12.975 1.00 0.00 C ATOM 0 H VAL B 173 17.954 -5.944 14.311 1.00 0.00 H new ATOM 0 HA VAL B 173 19.802 -8.120 14.019 1.00 0.00 H new ATOM 0 HB VAL B 173 20.459 -5.358 15.080 1.00 0.00 H new ATOM 0 HG11 VAL B 173 22.568 -5.773 13.803 1.00 0.00 H new ATOM 0 HG12 VAL B 173 22.283 -7.050 15.010 1.00 0.00 H new ATOM 0 HG13 VAL B 173 21.935 -7.356 13.291 1.00 0.00 H new ATOM 0 HG21 VAL B 173 20.674 -4.620 12.718 1.00 0.00 H new ATOM 0 HG22 VAL B 173 20.029 -6.186 12.173 1.00 0.00 H new ATOM 0 HG23 VAL B 173 18.998 -5.075 13.105 1.00 0.00 H new ATOM 547 N THR B 174 19.315 -6.855 17.048 1.00 0.00 N ATOM 548 CA THR B 174 19.543 -7.104 18.507 1.00 0.00 C ATOM 549 C THR B 174 18.910 -8.421 18.953 1.00 0.00 C ATOM 550 O THR B 174 19.520 -9.170 19.725 1.00 0.00 O ATOM 551 CB THR B 174 18.959 -5.950 19.330 1.00 0.00 C ATOM 552 OG1 THR B 174 19.358 -4.714 18.754 1.00 0.00 O ATOM 553 CG2 THR B 174 19.472 -6.034 20.769 1.00 0.00 C ATOM 0 H THR B 174 18.732 -6.044 16.840 1.00 0.00 H new ATOM 0 HA THR B 174 20.618 -7.169 18.672 1.00 0.00 H new ATOM 0 HB THR B 174 17.871 -6.018 19.332 1.00 0.00 H new ATOM 0 HG1 THR B 174 18.985 -3.974 19.277 1.00 0.00 H new ATOM 0 HG21 THR B 174 19.056 -5.213 21.352 1.00 0.00 H new ATOM 0 HG22 THR B 174 19.167 -6.983 21.209 1.00 0.00 H new ATOM 0 HG23 THR B 174 20.560 -5.966 20.772 1.00 0.00 H new ATOM 561 N ILE B 175 17.699 -8.705 18.518 1.00 0.00 N ATOM 562 CA ILE B 175 17.013 -9.966 18.948 1.00 0.00 C ATOM 563 C ILE B 175 17.754 -11.197 18.391 1.00 0.00 C ATOM 564 O ILE B 175 18.016 -12.152 19.130 1.00 0.00 O ATOM 565 CB ILE B 175 15.515 -9.925 18.530 1.00 0.00 C ATOM 566 CG1 ILE B 175 14.720 -10.964 19.336 1.00 0.00 C ATOM 567 CG2 ILE B 175 15.329 -10.199 17.029 1.00 0.00 C ATOM 568 CD1 ILE B 175 14.498 -10.456 20.765 1.00 0.00 C ATOM 0 H ILE B 175 17.159 -8.116 17.884 1.00 0.00 H new ATOM 0 HA ILE B 175 17.042 -10.048 20.035 1.00 0.00 H new ATOM 0 HB ILE B 175 15.145 -8.921 18.739 1.00 0.00 H new ATOM 0 HG12 ILE B 175 13.761 -11.154 18.855 1.00 0.00 H new ATOM 0 HG13 ILE B 175 15.259 -11.911 19.357 1.00 0.00 H new ATOM 0 HG21 ILE B 175 14.268 -10.161 16.781 1.00 0.00 H new ATOM 0 HG22 ILE B 175 15.864 -9.444 16.452 1.00 0.00 H new ATOM 0 HG23 ILE B 175 15.723 -11.186 16.788 1.00 0.00 H new ATOM 0 HD11 ILE B 175 13.934 -11.197 21.331 1.00 0.00 H new ATOM 0 HD12 ILE B 175 15.462 -10.289 21.246 1.00 0.00 H new ATOM 0 HD13 ILE B 175 13.940 -9.520 20.736 1.00 0.00 H new ATOM 580 N PHE B 176 18.088 -11.188 17.117 1.00 0.00 N ATOM 581 CA PHE B 176 18.805 -12.349 16.495 1.00 0.00 C ATOM 582 C PHE B 176 20.214 -12.458 17.078 1.00 0.00 C ATOM 583 O PHE B 176 20.655 -13.550 17.451 1.00 0.00 O ATOM 584 CB PHE B 176 18.887 -12.161 14.972 1.00 0.00 C ATOM 585 CG PHE B 176 18.961 -13.508 14.269 1.00 0.00 C ATOM 586 CD1 PHE B 176 20.091 -14.324 14.425 1.00 0.00 C ATOM 587 CD2 PHE B 176 17.899 -13.939 13.460 1.00 0.00 C ATOM 588 CE1 PHE B 176 20.159 -15.562 13.775 1.00 0.00 C ATOM 589 CE2 PHE B 176 17.969 -15.176 12.810 1.00 0.00 C ATOM 590 CZ PHE B 176 19.097 -15.988 12.968 1.00 0.00 C ATOM 0 H PHE B 176 17.891 -10.418 16.478 1.00 0.00 H new ATOM 0 HA PHE B 176 18.254 -13.264 16.711 1.00 0.00 H new ATOM 0 HB2 PHE B 176 18.015 -11.609 14.621 1.00 0.00 H new ATOM 0 HB3 PHE B 176 19.764 -11.565 14.721 1.00 0.00 H new ATOM 0 HD1 PHE B 176 20.910 -13.997 15.048 1.00 0.00 H new ATOM 0 HD2 PHE B 176 17.026 -13.315 13.339 1.00 0.00 H new ATOM 0 HE1 PHE B 176 21.030 -16.188 13.896 1.00 0.00 H new ATOM 0 HE2 PHE B 176 17.151 -15.504 12.186 1.00 0.00 H new ATOM 0 HZ PHE B 176 19.149 -16.944 12.467 1.00 0.00 H new ATOM 600 N VAL B 177 20.922 -11.353 17.155 1.00 0.00 N ATOM 601 CA VAL B 177 22.316 -11.363 17.702 1.00 0.00 C ATOM 602 C VAL B 177 22.284 -11.748 19.184 1.00 0.00 C ATOM 603 O VAL B 177 23.164 -12.478 19.650 1.00 0.00 O ATOM 604 CB VAL B 177 22.983 -9.985 17.488 1.00 0.00 C ATOM 605 CG1 VAL B 177 24.388 -9.956 18.111 1.00 0.00 C ATOM 606 CG2 VAL B 177 23.113 -9.728 15.983 1.00 0.00 C ATOM 0 H VAL B 177 20.588 -10.436 16.858 1.00 0.00 H new ATOM 0 HA VAL B 177 22.912 -12.104 17.170 1.00 0.00 H new ATOM 0 HB VAL B 177 22.368 -9.221 17.963 1.00 0.00 H new ATOM 0 HG11 VAL B 177 24.838 -8.977 17.948 1.00 0.00 H new ATOM 0 HG12 VAL B 177 24.315 -10.148 19.181 1.00 0.00 H new ATOM 0 HG13 VAL B 177 25.008 -10.722 17.646 1.00 0.00 H new ATOM 0 HG21 VAL B 177 23.582 -8.758 15.819 1.00 0.00 H new ATOM 0 HG22 VAL B 177 23.726 -10.509 15.532 1.00 0.00 H new ATOM 0 HG23 VAL B 177 22.123 -9.734 15.526 1.00 0.00 H new ATOM 616 N ALA B 178 21.313 -11.269 19.930 1.00 0.00 N ATOM 617 CA ALA B 178 21.239 -11.599 21.389 1.00 0.00 C ATOM 618 C ALA B 178 21.120 -13.109 21.569 1.00 0.00 C ATOM 619 O ALA B 178 21.707 -13.672 22.498 1.00 0.00 O ATOM 620 CB ALA B 178 20.028 -10.913 22.024 1.00 0.00 C ATOM 0 H ALA B 178 20.568 -10.662 19.588 1.00 0.00 H new ATOM 0 HA ALA B 178 22.147 -11.244 21.877 1.00 0.00 H new ATOM 0 HB1 ALA B 178 19.985 -11.160 23.085 1.00 0.00 H new ATOM 0 HB2 ALA B 178 20.118 -9.833 21.906 1.00 0.00 H new ATOM 0 HB3 ALA B 178 19.117 -11.256 21.534 1.00 0.00 H new ATOM 626 N GLY B 179 20.371 -13.769 20.713 1.00 0.00 N ATOM 627 CA GLY B 179 20.197 -15.252 20.835 1.00 0.00 C ATOM 628 C GLY B 179 21.496 -15.974 20.475 1.00 0.00 C ATOM 629 O GLY B 179 21.867 -16.949 21.137 1.00 0.00 O ATOM 0 H GLY B 179 19.872 -13.341 19.933 1.00 0.00 H new ATOM 0 HA2 GLY B 179 19.902 -15.507 21.853 1.00 0.00 H new ATOM 0 HA3 GLY B 179 19.394 -15.585 20.177 1.00 0.00 H new ATOM 633 N VAL B 180 22.188 -15.530 19.442 1.00 0.00 N ATOM 634 CA VAL B 180 23.466 -16.200 19.030 1.00 0.00 C ATOM 635 C VAL B 180 24.540 -15.920 20.084 1.00 0.00 C ATOM 636 O VAL B 180 25.286 -16.824 20.476 1.00 0.00 O ATOM 637 CB VAL B 180 23.922 -15.679 17.650 1.00 0.00 C ATOM 638 CG1 VAL B 180 25.201 -16.400 17.203 1.00 0.00 C ATOM 639 CG2 VAL B 180 22.823 -15.937 16.612 1.00 0.00 C ATOM 0 H VAL B 180 21.919 -14.731 18.868 1.00 0.00 H new ATOM 0 HA VAL B 180 23.304 -17.275 18.953 1.00 0.00 H new ATOM 0 HB VAL B 180 24.118 -14.610 17.731 1.00 0.00 H new ATOM 0 HG11 VAL B 180 25.510 -16.022 16.228 1.00 0.00 H new ATOM 0 HG12 VAL B 180 25.993 -16.220 17.930 1.00 0.00 H new ATOM 0 HG13 VAL B 180 25.009 -17.471 17.133 1.00 0.00 H new ATOM 0 HG21 VAL B 180 23.148 -15.568 15.639 1.00 0.00 H new ATOM 0 HG22 VAL B 180 22.627 -17.007 16.548 1.00 0.00 H new ATOM 0 HG23 VAL B 180 21.912 -15.419 16.911 1.00 0.00 H new ATOM 649 N LEU B 181 24.632 -14.690 20.530 1.00 0.00 N ATOM 650 CA LEU B 181 25.657 -14.308 21.549 1.00 0.00 C ATOM 651 C LEU B 181 25.397 -15.065 22.849 1.00 0.00 C ATOM 652 O LEU B 181 26.333 -15.577 23.473 1.00 0.00 O ATOM 653 CB LEU B 181 25.582 -12.792 21.791 1.00 0.00 C ATOM 654 CG LEU B 181 26.787 -12.311 22.630 1.00 0.00 C ATOM 655 CD1 LEU B 181 27.047 -10.823 22.351 1.00 0.00 C ATOM 656 CD2 LEU B 181 26.497 -12.502 24.129 1.00 0.00 C ATOM 0 H LEU B 181 24.031 -13.924 20.226 1.00 0.00 H new ATOM 0 HA LEU B 181 26.653 -14.567 21.189 1.00 0.00 H new ATOM 0 HB2 LEU B 181 25.565 -12.267 20.836 1.00 0.00 H new ATOM 0 HB3 LEU B 181 24.653 -12.547 22.306 1.00 0.00 H new ATOM 0 HG LEU B 181 27.665 -12.897 22.356 1.00 0.00 H new ATOM 0 HD11 LEU B 181 27.897 -10.485 22.943 1.00 0.00 H new ATOM 0 HD12 LEU B 181 27.264 -10.684 21.292 1.00 0.00 H new ATOM 0 HD13 LEU B 181 26.164 -10.243 22.619 1.00 0.00 H new ATOM 0 HD21 LEU B 181 27.352 -12.160 24.712 1.00 0.00 H new ATOM 0 HD22 LEU B 181 25.615 -11.924 24.406 1.00 0.00 H new ATOM 0 HD23 LEU B 181 26.318 -13.558 24.333 1.00 0.00 H new ATOM 668 N THR B 182 24.152 -15.153 23.259 1.00 0.00 N ATOM 669 CA THR B 182 23.806 -15.879 24.522 1.00 0.00 C ATOM 670 C THR B 182 24.157 -17.358 24.372 1.00 0.00 C ATOM 671 O THR B 182 24.707 -17.969 25.295 1.00 0.00 O ATOM 672 CB THR B 182 22.306 -15.716 24.829 1.00 0.00 C ATOM 673 OG1 THR B 182 21.992 -14.331 24.890 1.00 0.00 O ATOM 674 CG2 THR B 182 21.932 -16.373 26.172 1.00 0.00 C ATOM 0 H THR B 182 23.355 -14.749 22.767 1.00 0.00 H new ATOM 0 HA THR B 182 24.378 -15.458 25.349 1.00 0.00 H new ATOM 0 HB THR B 182 21.740 -16.206 24.037 1.00 0.00 H new ATOM 0 HG1 THR B 182 21.396 -14.098 24.148 1.00 0.00 H new ATOM 0 HG21 THR B 182 20.866 -16.240 26.358 1.00 0.00 H new ATOM 0 HG22 THR B 182 22.163 -17.438 26.133 1.00 0.00 H new ATOM 0 HG23 THR B 182 22.502 -15.907 26.976 1.00 0.00 H new ATOM 682 N ALA B 183 23.843 -17.940 23.237 1.00 0.00 N ATOM 683 CA ALA B 183 24.141 -19.388 23.006 1.00 0.00 C ATOM 684 C ALA B 183 25.643 -19.636 23.139 1.00 0.00 C ATOM 685 O ALA B 183 26.060 -20.661 23.689 1.00 0.00 O ATOM 686 CB ALA B 183 23.661 -19.803 21.611 1.00 0.00 C ATOM 0 H ALA B 183 23.389 -17.468 22.455 1.00 0.00 H new ATOM 0 HA ALA B 183 23.616 -19.984 23.752 1.00 0.00 H new ATOM 0 HB1 ALA B 183 23.881 -20.858 21.449 1.00 0.00 H new ATOM 0 HB2 ALA B 183 22.586 -19.640 21.533 1.00 0.00 H new ATOM 0 HB3 ALA B 183 24.174 -19.206 20.857 1.00 0.00 H new ATOM 692 N SER B 184 26.453 -18.728 22.643 1.00 0.00 N ATOM 693 CA SER B 184 27.936 -18.896 22.724 1.00 0.00 C ATOM 694 C SER B 184 28.369 -18.906 24.187 1.00 0.00 C ATOM 695 O SER B 184 29.218 -19.710 24.588 1.00 0.00 O ATOM 696 CB SER B 184 28.632 -17.748 21.992 1.00 0.00 C ATOM 697 OG SER B 184 28.453 -17.908 20.591 1.00 0.00 O ATOM 0 H SER B 184 26.144 -17.872 22.182 1.00 0.00 H new ATOM 0 HA SER B 184 28.215 -19.840 22.255 1.00 0.00 H new ATOM 0 HB2 SER B 184 28.221 -16.792 22.316 1.00 0.00 H new ATOM 0 HB3 SER B 184 29.694 -17.737 22.236 1.00 0.00 H new ATOM 0 HG SER B 184 28.896 -17.173 20.118 1.00 0.00 H new ATOM 703 N LEU B 185 27.816 -18.015 24.980 1.00 0.00 N ATOM 704 CA LEU B 185 28.191 -17.923 26.427 1.00 0.00 C ATOM 705 C LEU B 185 27.799 -19.192 27.185 1.00 0.00 C ATOM 706 O LEU B 185 28.548 -19.650 28.054 1.00 0.00 O ATOM 707 CB LEU B 185 27.510 -16.706 27.083 1.00 0.00 C ATOM 708 CG LEU B 185 27.910 -15.406 26.370 1.00 0.00 C ATOM 709 CD1 LEU B 185 27.082 -14.252 26.934 1.00 0.00 C ATOM 710 CD2 LEU B 185 29.397 -15.112 26.595 1.00 0.00 C ATOM 0 H LEU B 185 27.112 -17.340 24.680 1.00 0.00 H new ATOM 0 HA LEU B 185 29.274 -17.807 26.478 1.00 0.00 H new ATOM 0 HB2 LEU B 185 26.427 -16.827 27.048 1.00 0.00 H new ATOM 0 HB3 LEU B 185 27.790 -16.650 28.135 1.00 0.00 H new ATOM 0 HG LEU B 185 27.727 -15.516 25.301 1.00 0.00 H new ATOM 0 HD11 LEU B 185 27.361 -13.325 26.432 1.00 0.00 H new ATOM 0 HD12 LEU B 185 26.023 -14.450 26.769 1.00 0.00 H new ATOM 0 HD13 LEU B 185 27.271 -14.157 28.003 1.00 0.00 H new ATOM 0 HD21 LEU B 185 29.667 -14.188 26.084 1.00 0.00 H new ATOM 0 HD22 LEU B 185 29.589 -15.006 27.663 1.00 0.00 H new ATOM 0 HD23 LEU B 185 29.994 -15.933 26.199 1.00 0.00 H new ATOM 722 N THR B 186 26.635 -19.747 26.913 1.00 0.00 N ATOM 723 CA THR B 186 26.178 -20.970 27.661 1.00 0.00 C ATOM 724 C THR B 186 27.041 -22.172 27.295 1.00 0.00 C ATOM 725 O THR B 186 27.491 -22.912 28.177 1.00 0.00 O ATOM 726 CB THR B 186 24.709 -21.298 27.331 1.00 0.00 C ATOM 727 OG1 THR B 186 24.620 -21.725 25.978 1.00 0.00 O ATOM 728 CG2 THR B 186 23.801 -20.070 27.537 1.00 0.00 C ATOM 0 H THR B 186 25.983 -19.406 26.206 1.00 0.00 H new ATOM 0 HA THR B 186 26.271 -20.759 28.726 1.00 0.00 H new ATOM 0 HB THR B 186 24.373 -22.088 28.003 1.00 0.00 H new ATOM 0 HG1 THR B 186 25.105 -21.096 25.404 1.00 0.00 H new ATOM 0 HG21 THR B 186 22.771 -20.334 27.296 1.00 0.00 H new ATOM 0 HG22 THR B 186 23.858 -19.745 28.576 1.00 0.00 H new ATOM 0 HG23 THR B 186 24.130 -19.261 26.885 1.00 0.00 H new ATOM 736 N ILE B 187 27.270 -22.386 26.020 1.00 0.00 N ATOM 737 CA ILE B 187 28.093 -23.552 25.576 1.00 0.00 C ATOM 738 C ILE B 187 29.529 -23.372 26.066 1.00 0.00 C ATOM 739 O ILE B 187 30.109 -24.287 26.657 1.00 0.00 O ATOM 740 CB ILE B 187 28.079 -23.676 24.037 1.00 0.00 C ATOM 741 CG1 ILE B 187 26.629 -23.772 23.529 1.00 0.00 C ATOM 742 CG2 ILE B 187 28.845 -24.940 23.611 1.00 0.00 C ATOM 743 CD1 ILE B 187 26.592 -23.473 22.027 1.00 0.00 C ATOM 0 H ILE B 187 26.919 -21.797 25.265 1.00 0.00 H new ATOM 0 HA ILE B 187 27.669 -24.463 25.998 1.00 0.00 H new ATOM 0 HB ILE B 187 28.556 -22.794 23.609 1.00 0.00 H new ATOM 0 HG12 ILE B 187 26.230 -24.768 23.722 1.00 0.00 H new ATOM 0 HG13 ILE B 187 25.997 -23.066 24.067 1.00 0.00 H new ATOM 0 HG21 ILE B 187 28.833 -25.024 22.524 1.00 0.00 H new ATOM 0 HG22 ILE B 187 29.876 -24.875 23.958 1.00 0.00 H new ATOM 0 HG23 ILE B 187 28.370 -25.818 24.048 1.00 0.00 H new ATOM 0 HD11 ILE B 187 25.565 -23.541 21.668 1.00 0.00 H new ATOM 0 HD12 ILE B 187 26.974 -22.468 21.847 1.00 0.00 H new ATOM 0 HD13 ILE B 187 27.211 -24.197 21.497 1.00 0.00 H new ATOM 755 N TRP B 188 30.109 -22.221 25.808 1.00 0.00 N ATOM 756 CA TRP B 188 31.520 -21.963 26.226 1.00 0.00 C ATOM 757 C TRP B 188 31.635 -22.034 27.748 1.00 0.00 C ATOM 758 O TRP B 188 32.574 -22.645 28.271 1.00 0.00 O ATOM 759 CB TRP B 188 31.977 -20.582 25.729 1.00 0.00 C ATOM 760 CG TRP B 188 33.462 -20.431 25.915 1.00 0.00 C ATOM 761 CD1 TRP B 188 34.409 -21.235 25.369 1.00 0.00 C ATOM 762 CD2 TRP B 188 34.179 -19.421 26.683 1.00 0.00 C ATOM 763 NE1 TRP B 188 35.656 -20.790 25.764 1.00 0.00 N ATOM 764 CE2 TRP B 188 35.568 -19.673 26.570 1.00 0.00 C ATOM 765 CE3 TRP B 188 33.766 -18.324 27.460 1.00 0.00 C ATOM 766 CZ2 TRP B 188 36.511 -18.867 27.208 1.00 0.00 C ATOM 767 CZ3 TRP B 188 34.713 -17.508 28.100 1.00 0.00 C ATOM 768 CH2 TRP B 188 36.083 -17.780 27.975 1.00 0.00 C ATOM 0 H TRP B 188 29.659 -21.446 25.322 1.00 0.00 H new ATOM 0 HA TRP B 188 32.162 -22.725 25.785 1.00 0.00 H new ATOM 0 HB2 TRP B 188 31.721 -20.463 24.676 1.00 0.00 H new ATOM 0 HB3 TRP B 188 31.453 -19.798 26.276 1.00 0.00 H new ATOM 0 HD1 TRP B 188 34.219 -22.084 24.730 1.00 0.00 H new ATOM 0 HE1 TRP B 188 36.534 -21.233 25.493 1.00 0.00 H new ATOM 0 HE3 TRP B 188 32.713 -18.108 27.565 1.00 0.00 H new ATOM 0 HZ2 TRP B 188 37.565 -19.082 27.110 1.00 0.00 H new ATOM 0 HZ3 TRP B 188 34.384 -16.666 28.692 1.00 0.00 H new ATOM 0 HH2 TRP B 188 36.807 -17.150 28.471 1.00 0.00 H new ATOM 779 N LYS B 189 30.716 -21.421 28.461 1.00 0.00 N ATOM 780 CA LYS B 189 30.775 -21.440 29.957 1.00 0.00 C ATOM 781 C LYS B 189 30.596 -22.869 30.461 1.00 0.00 C ATOM 782 O LYS B 189 31.249 -23.276 31.428 1.00 0.00 O ATOM 783 CB LYS B 189 29.686 -20.543 30.552 1.00 0.00 C ATOM 784 CG LYS B 189 29.964 -20.326 32.041 1.00 0.00 C ATOM 785 CD LYS B 189 28.946 -19.340 32.617 1.00 0.00 C ATOM 786 CE LYS B 189 29.340 -18.980 34.052 1.00 0.00 C ATOM 787 NZ LYS B 189 28.431 -17.919 34.578 1.00 0.00 N ATOM 0 H LYS B 189 29.927 -20.908 28.068 1.00 0.00 H new ATOM 0 HA LYS B 189 31.748 -21.061 30.271 1.00 0.00 H new ATOM 0 HB2 LYS B 189 29.664 -19.586 30.032 1.00 0.00 H new ATOM 0 HB3 LYS B 189 28.707 -21.002 30.417 1.00 0.00 H new ATOM 0 HG2 LYS B 189 29.907 -21.275 32.574 1.00 0.00 H new ATOM 0 HG3 LYS B 189 30.975 -19.943 32.180 1.00 0.00 H new ATOM 0 HD2 LYS B 189 28.907 -18.440 32.003 1.00 0.00 H new ATOM 0 HD3 LYS B 189 27.949 -19.780 32.602 1.00 0.00 H new ATOM 0 HE2 LYS B 189 29.285 -19.865 34.686 1.00 0.00 H new ATOM 0 HE3 LYS B 189 30.373 -18.632 34.078 1.00 0.00 H new ATOM 0 HZ1 LYS B 189 28.704 -17.680 35.552 1.00 0.00 H new ATOM 0 HZ2 LYS B 189 28.504 -17.071 33.980 1.00 0.00 H new ATOM 0 HZ3 LYS B 189 27.451 -18.266 34.569 1.00 0.00 H new ATOM 801 N LYS B 190 29.722 -23.628 29.836 1.00 0.00 N ATOM 802 CA LYS B 190 29.480 -25.040 30.274 1.00 0.00 C ATOM 803 C LYS B 190 30.618 -25.945 29.793 1.00 0.00 C ATOM 804 O LYS B 190 30.896 -26.976 30.415 1.00 0.00 O ATOM 805 CB LYS B 190 28.147 -25.545 29.700 1.00 0.00 C ATOM 806 CG LYS B 190 27.583 -26.674 30.580 1.00 0.00 C ATOM 807 CD LYS B 190 26.912 -26.073 31.819 1.00 0.00 C ATOM 808 CE LYS B 190 26.579 -27.184 32.818 1.00 0.00 C ATOM 809 NZ LYS B 190 25.642 -26.655 33.849 1.00 0.00 N ATOM 0 H LYS B 190 29.164 -23.326 29.037 1.00 0.00 H new ATOM 0 HA LYS B 190 29.439 -25.066 31.363 1.00 0.00 H new ATOM 0 HB2 LYS B 190 27.432 -24.724 29.646 1.00 0.00 H new ATOM 0 HB3 LYS B 190 28.295 -25.907 28.682 1.00 0.00 H new ATOM 0 HG2 LYS B 190 26.862 -27.264 30.014 1.00 0.00 H new ATOM 0 HG3 LYS B 190 28.384 -27.350 30.880 1.00 0.00 H new ATOM 0 HD2 LYS B 190 27.573 -25.340 32.283 1.00 0.00 H new ATOM 0 HD3 LYS B 190 26.003 -25.545 31.532 1.00 0.00 H new ATOM 0 HE2 LYS B 190 26.128 -28.031 32.301 1.00 0.00 H new ATOM 0 HE3 LYS B 190 27.491 -27.548 33.291 1.00 0.00 H new ATOM 0 HZ1 LYS B 190 25.414 -27.408 34.529 1.00 0.00 H new ATOM 0 HZ2 LYS B 190 26.089 -25.860 34.349 1.00 0.00 H new ATOM 0 HZ3 LYS B 190 24.769 -26.328 33.389 1.00 0.00 H new ATOM 823 N MET B 191 31.271 -25.589 28.706 1.00 0.00 N ATOM 824 CA MET B 191 32.393 -26.428 28.174 1.00 0.00 C ATOM 825 C MET B 191 33.735 -25.880 28.676 1.00 0.00 C ATOM 826 O MET B 191 34.760 -25.986 27.989 1.00 0.00 O ATOM 827 CB MET B 191 32.360 -26.431 26.639 1.00 0.00 C ATOM 828 CG MET B 191 31.173 -27.264 26.151 1.00 0.00 C ATOM 829 SD MET B 191 31.391 -27.650 24.394 1.00 0.00 S ATOM 830 CE MET B 191 29.788 -28.450 24.117 1.00 0.00 C ATOM 0 H MET B 191 31.071 -24.748 28.164 1.00 0.00 H new ATOM 0 HA MET B 191 32.276 -27.452 28.529 1.00 0.00 H new ATOM 0 HB2 MET B 191 32.279 -25.410 26.265 1.00 0.00 H new ATOM 0 HB3 MET B 191 33.290 -26.841 26.246 1.00 0.00 H new ATOM 0 HG2 MET B 191 31.098 -28.184 26.730 1.00 0.00 H new ATOM 0 HG3 MET B 191 30.243 -26.716 26.302 1.00 0.00 H new ATOM 0 HE1 MET B 191 29.527 -28.386 23.061 1.00 0.00 H new ATOM 0 HE2 MET B 191 29.848 -29.497 24.413 1.00 0.00 H new ATOM 0 HE3 MET B 191 29.024 -27.948 24.710 1.00 0.00 H new