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 Single : A 169 SER OG : rot 180:sc=-0.00884 USER MOD Single : 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 X(o=0,f=0) USER MOD Single : A 178 THR OG1 : rot -11:sc= 0.441 USER MOD Single : A 183 SER OG : rot -34:sc= 0.56 USER MOD Single : A 185 TYR OH : rot 180:sc= 0 USER MOD Single : A 205 THR OG1 : rot 44:sc= 0.151 USER MOD Single : A 209 MET CE :methyl 133:sc= -0.11 (180deg=-0.657) USER MOD Single : A 214 SER OG : rot -20:sc= 0.503 USER MOD Single : A 216 LYS NZ :NH3+ -166:sc=-0.00642 (180deg=-0.236) USER MOD ----------------------------------------------------------------- ATOM 89 N ALA A 168 -16.539 9.887 -1.029 1.00 0.00 N ATOM 90 CA ALA A 168 -15.237 10.531 -0.791 1.00 0.00 C ATOM 91 C ALA A 168 -14.393 9.747 0.221 1.00 0.00 C ATOM 92 O ALA A 168 -13.208 9.500 -0.006 1.00 0.00 O ATOM 93 CB ALA A 168 -15.475 11.963 -0.271 1.00 0.00 C ATOM 0 HA ALA A 168 -14.687 10.554 -1.732 1.00 0.00 H new ATOM 0 HB1 ALA A 168 -14.516 12.449 -0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 168 -16.036 12.531 -1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 168 -16.041 11.923 0.660 1.00 0.00 H new ATOM 99 N SER A 169 -14.997 9.337 1.341 1.00 0.00 N ATOM 100 CA SER A 169 -14.248 8.620 2.389 1.00 0.00 C ATOM 101 C SER A 169 -13.793 7.245 1.883 1.00 0.00 C ATOM 102 O SER A 169 -12.634 6.863 2.044 1.00 0.00 O ATOM 103 CB SER A 169 -15.087 8.498 3.686 1.00 0.00 C ATOM 104 OG SER A 169 -16.158 7.556 3.555 1.00 0.00 O ATOM 0 H SER A 169 -15.985 9.484 1.548 1.00 0.00 H new ATOM 0 HA SER A 169 -13.356 9.199 2.630 1.00 0.00 H new ATOM 0 HB2 SER A 169 -14.439 8.195 4.508 1.00 0.00 H new ATOM 0 HB3 SER A 169 -15.495 9.475 3.945 1.00 0.00 H new ATOM 0 HG SER A 169 -16.658 7.511 4.396 1.00 0.00 H new ATOM 110 N THR A 170 -14.709 6.501 1.255 1.00 0.00 N ATOM 111 CA THR A 170 -14.397 5.188 0.661 1.00 0.00 C ATOM 112 C THR A 170 -13.182 5.272 -0.275 1.00 0.00 C ATOM 113 O THR A 170 -12.246 4.479 -0.168 1.00 0.00 O ATOM 114 CB THR A 170 -15.644 4.703 -0.121 1.00 0.00 C ATOM 115 OG1 THR A 170 -16.757 4.640 0.778 1.00 0.00 O ATOM 116 CG2 THR A 170 -15.449 3.310 -0.757 1.00 0.00 C ATOM 0 H THR A 170 -15.682 6.785 1.142 1.00 0.00 H new ATOM 0 HA THR A 170 -14.146 4.483 1.454 1.00 0.00 H new ATOM 0 HB THR A 170 -15.817 5.414 -0.929 1.00 0.00 H new ATOM 0 HG1 THR A 170 -17.552 4.336 0.293 1.00 0.00 H new ATOM 0 HG21 THR A 170 -16.355 3.024 -1.291 1.00 0.00 H new ATOM 0 HG22 THR A 170 -14.612 3.342 -1.454 1.00 0.00 H new ATOM 0 HG23 THR A 170 -15.242 2.579 0.025 1.00 0.00 H new ATOM 124 N PHE A 171 -13.189 6.236 -1.202 1.00 0.00 N ATOM 125 CA PHE A 171 -12.059 6.435 -2.125 1.00 0.00 C ATOM 126 C PHE A 171 -10.751 6.660 -1.357 1.00 0.00 C ATOM 127 O PHE A 171 -9.764 5.970 -1.599 1.00 0.00 O ATOM 128 CB PHE A 171 -12.326 7.659 -3.036 1.00 0.00 C ATOM 129 CG PHE A 171 -11.357 7.850 -4.139 1.00 0.00 C ATOM 130 CD1 PHE A 171 -10.491 6.825 -4.548 1.00 0.00 C ATOM 131 CD2 PHE A 171 -11.379 9.052 -4.855 1.00 0.00 C ATOM 132 CE1 PHE A 171 -9.663 7.002 -5.659 1.00 0.00 C ATOM 133 CE2 PHE A 171 -10.549 9.228 -5.965 1.00 0.00 C ATOM 134 CZ PHE A 171 -9.691 8.203 -6.367 1.00 0.00 C ATOM 0 H PHE A 171 -13.960 6.890 -1.335 1.00 0.00 H new ATOM 0 HA PHE A 171 -11.962 5.534 -2.731 1.00 0.00 H new ATOM 0 HB2 PHE A 171 -13.324 7.562 -3.464 1.00 0.00 H new ATOM 0 HB3 PHE A 171 -12.330 8.557 -2.418 1.00 0.00 H new ATOM 0 HD1 PHE A 171 -10.464 5.894 -4.001 1.00 0.00 H new ATOM 0 HD2 PHE A 171 -12.041 9.848 -4.548 1.00 0.00 H new ATOM 0 HE1 PHE A 171 -9.000 6.208 -5.970 1.00 0.00 H new ATOM 0 HE2 PHE A 171 -10.571 10.158 -6.513 1.00 0.00 H new ATOM 0 HZ PHE A 171 -9.050 8.340 -7.225 1.00 0.00 H new ATOM 144 N LYS A 172 -10.726 7.621 -0.429 1.00 0.00 N ATOM 145 CA LYS A 172 -9.516 7.895 0.374 1.00 0.00 C ATOM 146 C LYS A 172 -8.935 6.631 1.022 1.00 0.00 C ATOM 147 O LYS A 172 -7.732 6.383 0.939 1.00 0.00 O ATOM 148 CB LYS A 172 -9.837 8.942 1.462 1.00 0.00 C ATOM 149 CG LYS A 172 -10.085 10.343 0.867 1.00 0.00 C ATOM 150 CD LYS A 172 -10.478 11.373 1.945 1.00 0.00 C ATOM 151 CE LYS A 172 -10.689 12.780 1.349 1.00 0.00 C ATOM 152 NZ LYS A 172 -11.051 13.725 2.416 1.00 0.00 N ATOM 0 H LYS A 172 -11.521 8.222 -0.211 1.00 0.00 H new ATOM 0 HA LYS A 172 -8.759 8.282 -0.308 1.00 0.00 H new ATOM 0 HB2 LYS A 172 -10.718 8.625 2.020 1.00 0.00 H new ATOM 0 HB3 LYS A 172 -9.011 8.991 2.171 1.00 0.00 H new ATOM 0 HG2 LYS A 172 -9.185 10.682 0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 172 -10.875 10.283 0.119 1.00 0.00 H new ATOM 0 HD2 LYS A 172 -11.393 11.048 2.441 1.00 0.00 H new ATOM 0 HD3 LYS A 172 -9.700 11.415 2.707 1.00 0.00 H new ATOM 0 HE2 LYS A 172 -9.779 13.113 0.849 1.00 0.00 H new ATOM 0 HE3 LYS A 172 -11.475 12.751 0.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 172 -11.192 14.671 2.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 172 -11.930 13.411 2.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 172 -10.287 13.762 3.121 1.00 0.00 H new ATOM 166 N VAL A 173 -9.779 5.828 1.673 1.00 0.00 N ATOM 167 CA VAL A 173 -9.337 4.547 2.260 1.00 0.00 C ATOM 168 C VAL A 173 -8.686 3.639 1.207 1.00 0.00 C ATOM 169 O VAL A 173 -7.591 3.121 1.424 1.00 0.00 O ATOM 170 CB VAL A 173 -10.537 3.832 2.932 1.00 0.00 C ATOM 171 CG1 VAL A 173 -10.163 2.428 3.458 1.00 0.00 C ATOM 172 CG2 VAL A 173 -11.121 4.681 4.084 1.00 0.00 C ATOM 0 H VAL A 173 -10.768 6.034 1.810 1.00 0.00 H new ATOM 0 HA VAL A 173 -8.582 4.762 3.016 1.00 0.00 H new ATOM 0 HB VAL A 173 -11.295 3.711 2.158 1.00 0.00 H new ATOM 0 HG11 VAL A 173 -11.037 1.968 3.920 1.00 0.00 H new ATOM 0 HG12 VAL A 173 -9.822 1.808 2.629 1.00 0.00 H new ATOM 0 HG13 VAL A 173 -9.366 2.516 4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 173 -11.961 4.153 4.535 1.00 0.00 H new ATOM 0 HG22 VAL A 173 -10.352 4.850 4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 173 -11.463 5.639 3.693 1.00 0.00 H new ATOM 182 N LEU A 174 -9.355 3.428 0.070 1.00 0.00 N ATOM 183 CA LEU A 174 -8.805 2.609 -1.031 1.00 0.00 C ATOM 184 C LEU A 174 -7.401 3.089 -1.429 1.00 0.00 C ATOM 185 O LEU A 174 -6.443 2.316 -1.436 1.00 0.00 O ATOM 186 CB LEU A 174 -9.780 2.699 -2.234 1.00 0.00 C ATOM 187 CG LEU A 174 -9.492 1.746 -3.424 1.00 0.00 C ATOM 188 CD1 LEU A 174 -10.710 1.693 -4.372 1.00 0.00 C ATOM 189 CD2 LEU A 174 -8.233 2.128 -4.236 1.00 0.00 C ATOM 0 H LEU A 174 -10.281 3.811 -0.119 1.00 0.00 H new ATOM 0 HA LEU A 174 -8.708 1.573 -0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -10.789 2.500 -1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -9.771 3.724 -2.606 1.00 0.00 H new ATOM 0 HG LEU A 174 -9.303 0.767 -2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -10.495 1.021 -5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -11.580 1.329 -3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -10.915 2.692 -4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -8.096 1.417 -5.051 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -8.355 3.131 -4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -7.359 2.106 -3.585 1.00 0.00 H new ATOM 201 N ARG A 175 -7.276 4.381 -1.744 1.00 0.00 N ATOM 202 CA ARG A 175 -5.993 4.997 -2.130 1.00 0.00 C ATOM 203 C ARG A 175 -4.895 4.717 -1.098 1.00 0.00 C ATOM 204 O ARG A 175 -3.784 4.321 -1.447 1.00 0.00 O ATOM 205 CB ARG A 175 -6.189 6.524 -2.260 1.00 0.00 C ATOM 206 CG ARG A 175 -7.203 6.911 -3.360 1.00 0.00 C ATOM 207 CD ARG A 175 -7.561 8.415 -3.336 1.00 0.00 C ATOM 208 NE ARG A 175 -6.378 9.236 -3.654 1.00 0.00 N ATOM 209 CZ ARG A 175 -5.897 9.332 -4.898 1.00 0.00 C ATOM 210 NH1 ARG A 175 -6.479 8.695 -5.913 1.00 0.00 N ATOM 211 NH2 ARG A 175 -4.821 10.080 -5.125 1.00 0.00 N ATOM 0 H ARG A 175 -8.059 5.034 -1.740 1.00 0.00 H new ATOM 0 HA ARG A 175 -5.680 4.564 -3.080 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -6.528 6.924 -1.304 1.00 0.00 H new ATOM 0 HB3 ARG A 175 -5.229 6.991 -2.478 1.00 0.00 H new ATOM 0 HG2 ARG A 175 -6.790 6.655 -4.336 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -8.112 6.323 -3.234 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -8.354 8.617 -4.056 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -7.945 8.687 -2.353 1.00 0.00 H new ATOM 0 HE ARG A 175 -5.913 9.746 -2.903 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -7.306 8.122 -5.748 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -6.097 8.781 -6.855 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -4.371 10.573 -4.354 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -4.446 10.160 -6.070 1.00 0.00 H new ATOM 225 N ASN A 176 -5.196 4.938 0.183 1.00 0.00 N ATOM 226 CA ASN A 176 -4.259 4.606 1.270 1.00 0.00 C ATOM 227 C ASN A 176 -3.795 3.147 1.185 1.00 0.00 C ATOM 228 O ASN A 176 -2.601 2.878 1.074 1.00 0.00 O ATOM 229 CB ASN A 176 -4.954 4.858 2.627 1.00 0.00 C ATOM 230 CG ASN A 176 -4.066 4.371 3.777 1.00 0.00 C ATOM 231 OD1 ASN A 176 -3.022 4.946 4.079 1.00 0.00 O ATOM 232 ND2 ASN A 176 -4.460 3.278 4.422 1.00 0.00 N ATOM 0 H ASN A 176 -6.077 5.344 0.498 1.00 0.00 H new ATOM 0 HA ASN A 176 -3.377 5.240 1.175 1.00 0.00 H new ATOM 0 HB2 ASN A 176 -5.163 5.921 2.745 1.00 0.00 H new ATOM 0 HB3 ASN A 176 -5.913 4.340 2.654 1.00 0.00 H new ATOM 0 HD21 ASN A 176 -3.893 2.902 5.182 1.00 0.00 H new ATOM 0 HD22 ASN A 176 -5.329 2.815 4.157 1.00 0.00 H new ATOM 239 N VAL A 177 -4.733 2.198 1.217 1.00 0.00 N ATOM 240 CA VAL A 177 -4.407 0.759 1.180 1.00 0.00 C ATOM 241 C VAL A 177 -3.486 0.403 0.004 1.00 0.00 C ATOM 242 O VAL A 177 -2.471 -0.269 0.189 1.00 0.00 O ATOM 243 CB VAL A 177 -5.721 -0.067 1.124 1.00 0.00 C ATOM 244 CG1 VAL A 177 -5.464 -1.577 0.920 1.00 0.00 C ATOM 245 CG2 VAL A 177 -6.566 0.143 2.401 1.00 0.00 C ATOM 0 H VAL A 177 -5.732 2.396 1.269 1.00 0.00 H new ATOM 0 HA VAL A 177 -3.860 0.512 2.090 1.00 0.00 H new ATOM 0 HB VAL A 177 -6.273 0.300 0.259 1.00 0.00 H new ATOM 0 HG11 VAL A 177 -6.416 -2.107 0.888 1.00 0.00 H new ATOM 0 HG12 VAL A 177 -4.931 -1.732 -0.018 1.00 0.00 H new ATOM 0 HG13 VAL A 177 -4.864 -1.959 1.746 1.00 0.00 H new ATOM 0 HG21 VAL A 177 -7.480 -0.447 2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 177 -5.993 -0.173 3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 177 -6.822 1.198 2.498 1.00 0.00 H new ATOM 255 N THR A 178 -3.827 0.842 -1.210 1.00 0.00 N ATOM 256 CA THR A 178 -2.992 0.562 -2.394 1.00 0.00 C ATOM 257 C THR A 178 -1.566 1.103 -2.230 1.00 0.00 C ATOM 258 O THR A 178 -0.603 0.351 -2.364 1.00 0.00 O ATOM 259 CB THR A 178 -3.657 1.107 -3.682 1.00 0.00 C ATOM 260 OG1 THR A 178 -3.943 2.502 -3.544 1.00 0.00 O ATOM 261 CG2 THR A 178 -4.960 0.358 -4.028 1.00 0.00 C ATOM 0 H THR A 178 -4.666 1.388 -1.404 1.00 0.00 H new ATOM 0 HA THR A 178 -2.912 -0.521 -2.488 1.00 0.00 H new ATOM 0 HB THR A 178 -2.947 0.948 -4.494 1.00 0.00 H new ATOM 0 HG1 THR A 178 -3.816 2.771 -2.610 1.00 0.00 H new ATOM 0 HG21 THR A 178 -5.389 0.776 -4.939 1.00 0.00 H new ATOM 0 HG22 THR A 178 -4.742 -0.699 -4.181 1.00 0.00 H new ATOM 0 HG23 THR A 178 -5.671 0.467 -3.209 1.00 0.00 H new ATOM 269 N VAL A 179 -1.405 2.392 -1.916 1.00 0.00 N ATOM 270 CA VAL A 179 -0.067 2.990 -1.722 1.00 0.00 C ATOM 271 C VAL A 179 0.753 2.235 -0.663 1.00 0.00 C ATOM 272 O VAL A 179 1.932 1.947 -0.867 1.00 0.00 O ATOM 273 CB VAL A 179 -0.219 4.487 -1.343 1.00 0.00 C ATOM 274 CG1 VAL A 179 1.127 5.146 -0.967 1.00 0.00 C ATOM 275 CG2 VAL A 179 -0.876 5.281 -2.496 1.00 0.00 C ATOM 0 H VAL A 179 -2.178 3.045 -1.790 1.00 0.00 H new ATOM 0 HA VAL A 179 0.482 2.909 -2.660 1.00 0.00 H new ATOM 0 HB VAL A 179 -0.861 4.516 -0.463 1.00 0.00 H new ATOM 0 HG11 VAL A 179 0.961 6.192 -0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 179 1.560 4.627 -0.111 1.00 0.00 H new ATOM 0 HG13 VAL A 179 1.811 5.084 -1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 179 -0.973 6.328 -2.208 1.00 0.00 H new ATOM 0 HG22 VAL A 179 -0.256 5.206 -3.389 1.00 0.00 H new ATOM 0 HG23 VAL A 179 -1.864 4.870 -2.705 1.00 0.00 H new ATOM 285 N VAL A 180 0.143 1.921 0.483 1.00 0.00 N ATOM 286 CA VAL A 180 0.806 1.117 1.527 1.00 0.00 C ATOM 287 C VAL A 180 1.319 -0.210 0.953 1.00 0.00 C ATOM 288 O VAL A 180 2.495 -0.533 1.092 1.00 0.00 O ATOM 289 CB VAL A 180 -0.182 0.877 2.701 1.00 0.00 C ATOM 290 CG1 VAL A 180 0.357 -0.139 3.734 1.00 0.00 C ATOM 291 CG2 VAL A 180 -0.518 2.204 3.419 1.00 0.00 C ATOM 0 H VAL A 180 -0.807 2.208 0.716 1.00 0.00 H new ATOM 0 HA VAL A 180 1.671 1.663 1.902 1.00 0.00 H new ATOM 0 HB VAL A 180 -1.085 0.458 2.257 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -0.374 -0.269 4.532 1.00 0.00 H new ATOM 0 HG12 VAL A 180 0.533 -1.097 3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 180 1.292 0.231 4.155 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -1.212 2.010 4.237 1.00 0.00 H new ATOM 0 HG22 VAL A 180 0.397 2.645 3.816 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -0.976 2.895 2.711 1.00 0.00 H new ATOM 301 N LEU A 181 0.452 -0.983 0.293 1.00 0.00 N ATOM 302 CA LEU A 181 0.849 -2.261 -0.333 1.00 0.00 C ATOM 303 C LEU A 181 2.076 -2.060 -1.240 1.00 0.00 C ATOM 304 O LEU A 181 3.076 -2.770 -1.133 1.00 0.00 O ATOM 305 CB LEU A 181 -0.355 -2.776 -1.163 1.00 0.00 C ATOM 306 CG LEU A 181 -0.367 -4.295 -1.470 1.00 0.00 C ATOM 307 CD1 LEU A 181 -1.639 -4.676 -2.257 1.00 0.00 C ATOM 308 CD2 LEU A 181 0.897 -4.810 -2.192 1.00 0.00 C ATOM 0 H LEU A 181 -0.534 -0.751 0.175 1.00 0.00 H new ATOM 0 HA LEU A 181 1.120 -2.987 0.434 1.00 0.00 H new ATOM 0 HB2 LEU A 181 -1.272 -2.526 -0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 181 -0.378 -2.234 -2.108 1.00 0.00 H new ATOM 0 HG LEU A 181 -0.370 -4.792 -0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 181 -1.632 -5.746 -2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 181 -2.521 -4.427 -1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 181 -1.664 -4.124 -3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 181 0.804 -5.882 -2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 181 1.007 -4.294 -3.146 1.00 0.00 H new ATOM 0 HD23 LEU A 181 1.773 -4.618 -1.573 1.00 0.00 H new ATOM 320 N TRP A 182 2.008 -1.061 -2.123 1.00 0.00 N ATOM 321 CA TRP A 182 3.106 -0.735 -3.054 1.00 0.00 C ATOM 322 C TRP A 182 4.439 -0.544 -2.320 1.00 0.00 C ATOM 323 O TRP A 182 5.429 -1.193 -2.651 1.00 0.00 O ATOM 324 CB TRP A 182 2.766 0.570 -3.812 1.00 0.00 C ATOM 325 CG TRP A 182 1.430 0.510 -4.570 1.00 0.00 C ATOM 326 CD1 TRP A 182 0.770 1.631 -5.100 1.00 0.00 C ATOM 327 CD2 TRP A 182 0.608 -0.593 -4.901 1.00 0.00 C ATOM 328 NE1 TRP A 182 -0.392 1.282 -5.707 1.00 0.00 N ATOM 329 CE2 TRP A 182 -0.515 -0.071 -5.599 1.00 0.00 C ATOM 330 CE3 TRP A 182 0.698 -1.973 -4.685 1.00 0.00 C ATOM 331 CZ2 TRP A 182 -1.514 -0.939 -6.047 1.00 0.00 C ATOM 332 CZ3 TRP A 182 -0.307 -2.827 -5.141 1.00 0.00 C ATOM 333 CH2 TRP A 182 -1.412 -2.311 -5.819 1.00 0.00 C ATOM 0 H TRP A 182 1.195 -0.453 -2.218 1.00 0.00 H new ATOM 0 HA TRP A 182 3.212 -1.570 -3.746 1.00 0.00 H new ATOM 0 HB2 TRP A 182 2.734 1.396 -3.101 1.00 0.00 H new ATOM 0 HB3 TRP A 182 3.566 0.789 -4.519 1.00 0.00 H new ATOM 0 HD1 TRP A 182 1.141 2.643 -5.033 1.00 0.00 H new ATOM 0 HE1 TRP A 182 -1.051 1.915 -6.160 1.00 0.00 H new ATOM 0 HE3 TRP A 182 1.551 -2.380 -4.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 182 -2.371 -0.545 -6.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 182 -0.229 -3.890 -4.969 1.00 0.00 H new ATOM 0 HH2 TRP A 182 -2.189 -2.975 -6.168 1.00 0.00 H new ATOM 344 N SER A 183 4.485 0.343 -1.321 1.00 0.00 N ATOM 345 CA SER A 183 5.732 0.599 -0.569 1.00 0.00 C ATOM 346 C SER A 183 6.228 -0.659 0.160 1.00 0.00 C ATOM 347 O SER A 183 7.422 -0.955 0.195 1.00 0.00 O ATOM 348 CB SER A 183 5.531 1.773 0.420 1.00 0.00 C ATOM 349 OG SER A 183 4.674 1.408 1.510 1.00 0.00 O ATOM 0 H SER A 183 3.685 0.895 -1.011 1.00 0.00 H new ATOM 0 HA SER A 183 6.504 0.876 -1.287 1.00 0.00 H new ATOM 0 HB2 SER A 183 6.498 2.091 0.809 1.00 0.00 H new ATOM 0 HB3 SER A 183 5.104 2.625 -0.109 1.00 0.00 H new ATOM 0 HG SER A 183 3.989 0.784 1.192 1.00 0.00 H new ATOM 355 N ALA A 184 5.300 -1.401 0.766 1.00 0.00 N ATOM 356 CA ALA A 184 5.607 -2.677 1.431 1.00 0.00 C ATOM 357 C ALA A 184 6.184 -3.730 0.477 1.00 0.00 C ATOM 358 O ALA A 184 6.902 -4.625 0.915 1.00 0.00 O ATOM 359 CB ALA A 184 4.314 -3.229 2.066 1.00 0.00 C ATOM 0 H ALA A 184 4.315 -1.139 0.812 1.00 0.00 H new ATOM 0 HA ALA A 184 6.369 -2.476 2.184 1.00 0.00 H new ATOM 0 HB1 ALA A 184 4.528 -4.175 2.563 1.00 0.00 H new ATOM 0 HB2 ALA A 184 3.933 -2.514 2.796 1.00 0.00 H new ATOM 0 HB3 ALA A 184 3.566 -3.388 1.289 1.00 0.00 H new ATOM 365 N TYR A 185 5.891 -3.652 -0.825 1.00 0.00 N ATOM 366 CA TYR A 185 6.293 -4.707 -1.774 1.00 0.00 C ATOM 367 C TYR A 185 7.822 -4.915 -1.788 1.00 0.00 C ATOM 368 O TYR A 185 8.281 -6.026 -1.524 1.00 0.00 O ATOM 369 CB TYR A 185 5.755 -4.360 -3.187 1.00 0.00 C ATOM 370 CG TYR A 185 5.918 -5.399 -4.226 1.00 0.00 C ATOM 371 CD1 TYR A 185 6.334 -6.701 -3.918 1.00 0.00 C ATOM 372 CD2 TYR A 185 5.625 -5.070 -5.553 1.00 0.00 C ATOM 373 CE1 TYR A 185 6.460 -7.657 -4.928 1.00 0.00 C ATOM 374 CE2 TYR A 185 5.748 -6.026 -6.563 1.00 0.00 C ATOM 375 CZ TYR A 185 6.166 -7.321 -6.251 1.00 0.00 C ATOM 376 OH TYR A 185 6.288 -8.270 -7.244 1.00 0.00 O ATOM 0 H TYR A 185 5.381 -2.877 -1.248 1.00 0.00 H new ATOM 0 HA TYR A 185 5.857 -5.652 -1.449 1.00 0.00 H new ATOM 0 HB2 TYR A 185 4.694 -4.127 -3.101 1.00 0.00 H new ATOM 0 HB3 TYR A 185 6.254 -3.453 -3.529 1.00 0.00 H new ATOM 0 HD1 TYR A 185 6.558 -6.966 -2.895 1.00 0.00 H new ATOM 0 HD2 TYR A 185 5.301 -4.069 -5.798 1.00 0.00 H new ATOM 0 HE1 TYR A 185 6.785 -8.658 -4.685 1.00 0.00 H new ATOM 0 HE2 TYR A 185 5.520 -5.764 -7.586 1.00 0.00 H new ATOM 0 HH TYR A 185 6.045 -7.874 -8.107 1.00 0.00 H new ATOM 386 N PRO A 186 8.651 -3.894 -2.060 1.00 0.00 N ATOM 387 CA PRO A 186 10.120 -4.023 -2.023 1.00 0.00 C ATOM 388 C PRO A 186 10.642 -4.429 -0.641 1.00 0.00 C ATOM 389 O PRO A 186 11.627 -5.159 -0.541 1.00 0.00 O ATOM 390 CB PRO A 186 10.638 -2.636 -2.437 1.00 0.00 C ATOM 391 CG PRO A 186 9.500 -1.703 -2.055 1.00 0.00 C ATOM 392 CD PRO A 186 8.257 -2.523 -2.420 1.00 0.00 C ATOM 0 HA PRO A 186 10.468 -4.815 -2.687 1.00 0.00 H new ATOM 0 HB2 PRO A 186 11.560 -2.380 -1.915 1.00 0.00 H new ATOM 0 HB3 PRO A 186 10.853 -2.590 -3.505 1.00 0.00 H new ATOM 0 HG2 PRO A 186 9.522 -1.450 -0.995 1.00 0.00 H new ATOM 0 HG3 PRO A 186 9.543 -0.764 -2.607 1.00 0.00 H new ATOM 0 HD2 PRO A 186 7.379 -2.195 -1.863 1.00 0.00 H new ATOM 0 HD3 PRO A 186 8.013 -2.438 -3.479 1.00 0.00 H new ATOM 400 N VAL A 187 10.016 -3.946 0.438 1.00 0.00 N ATOM 401 CA VAL A 187 10.398 -4.358 1.804 1.00 0.00 C ATOM 402 C VAL A 187 10.285 -5.884 1.973 1.00 0.00 C ATOM 403 O VAL A 187 11.251 -6.559 2.327 1.00 0.00 O ATOM 404 CB VAL A 187 9.496 -3.634 2.838 1.00 0.00 C ATOM 405 CG1 VAL A 187 9.851 -4.016 4.292 1.00 0.00 C ATOM 406 CG2 VAL A 187 9.537 -2.099 2.661 1.00 0.00 C ATOM 0 H VAL A 187 9.249 -3.275 0.399 1.00 0.00 H new ATOM 0 HA VAL A 187 11.438 -4.078 1.973 1.00 0.00 H new ATOM 0 HB VAL A 187 8.479 -3.973 2.643 1.00 0.00 H new ATOM 0 HG11 VAL A 187 9.193 -3.484 4.979 1.00 0.00 H new ATOM 0 HG12 VAL A 187 9.725 -5.090 4.427 1.00 0.00 H new ATOM 0 HG13 VAL A 187 10.886 -3.744 4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 187 8.892 -1.630 3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 187 10.559 -1.745 2.792 1.00 0.00 H new ATOM 0 HG23 VAL A 187 9.188 -1.839 1.662 1.00 0.00 H new ATOM 416 N VAL A 188 9.099 -6.436 1.711 1.00 0.00 N ATOM 417 CA VAL A 188 8.857 -7.889 1.794 1.00 0.00 C ATOM 418 C VAL A 188 9.817 -8.665 0.883 1.00 0.00 C ATOM 419 O VAL A 188 10.386 -9.679 1.285 1.00 0.00 O ATOM 420 CB VAL A 188 7.381 -8.185 1.419 1.00 0.00 C ATOM 421 CG1 VAL A 188 7.080 -9.699 1.343 1.00 0.00 C ATOM 422 CG2 VAL A 188 6.407 -7.512 2.414 1.00 0.00 C ATOM 0 H VAL A 188 8.278 -5.896 1.436 1.00 0.00 H new ATOM 0 HA VAL A 188 9.042 -8.219 2.816 1.00 0.00 H new ATOM 0 HB VAL A 188 7.230 -7.764 0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 188 6.034 -9.849 1.077 1.00 0.00 H new ATOM 0 HG12 VAL A 188 7.716 -10.159 0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 188 7.278 -10.158 2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 188 5.380 -7.737 2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 188 6.594 -7.891 3.419 1.00 0.00 H new ATOM 0 HG23 VAL A 188 6.560 -6.433 2.399 1.00 0.00 H new ATOM 432 N TRP A 189 9.990 -8.204 -0.359 1.00 0.00 N ATOM 433 CA TRP A 189 10.947 -8.823 -1.292 1.00 0.00 C ATOM 434 C TRP A 189 12.346 -8.927 -0.668 1.00 0.00 C ATOM 435 O TRP A 189 12.951 -9.996 -0.663 1.00 0.00 O ATOM 436 CB TRP A 189 11.026 -7.973 -2.577 1.00 0.00 C ATOM 437 CG TRP A 189 11.910 -8.689 -3.600 1.00 0.00 C ATOM 438 CD1 TRP A 189 11.587 -9.839 -4.340 1.00 0.00 C ATOM 439 CD2 TRP A 189 13.235 -8.378 -3.951 1.00 0.00 C ATOM 440 NE1 TRP A 189 12.635 -10.233 -5.111 1.00 0.00 N ATOM 441 CE2 TRP A 189 13.657 -9.355 -4.889 1.00 0.00 C ATOM 442 CE3 TRP A 189 14.112 -7.372 -3.542 1.00 0.00 C ATOM 443 CZ2 TRP A 189 14.956 -9.293 -5.397 1.00 0.00 C ATOM 444 CZ3 TRP A 189 15.406 -7.324 -4.061 1.00 0.00 C ATOM 445 CH2 TRP A 189 15.826 -8.283 -4.985 1.00 0.00 C ATOM 0 H TRP A 189 9.484 -7.407 -0.745 1.00 0.00 H new ATOM 0 HA TRP A 189 10.599 -9.830 -1.523 1.00 0.00 H new ATOM 0 HB2 TRP A 189 10.028 -7.818 -2.987 1.00 0.00 H new ATOM 0 HB3 TRP A 189 11.435 -6.988 -2.351 1.00 0.00 H new ATOM 0 HD1 TRP A 189 10.633 -10.343 -4.301 1.00 0.00 H new ATOM 0 HE1 TRP A 189 12.654 -11.036 -5.739 1.00 0.00 H new ATOM 0 HE3 TRP A 189 13.789 -6.632 -2.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 189 15.289 -10.030 -6.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 189 16.084 -6.544 -3.748 1.00 0.00 H new ATOM 0 HH2 TRP A 189 16.829 -8.243 -5.383 1.00 0.00 H new ATOM 456 N LEU A 190 12.869 -7.813 -0.147 1.00 0.00 N ATOM 457 CA LEU A 190 14.177 -7.778 0.533 1.00 0.00 C ATOM 458 C LEU A 190 14.259 -8.843 1.630 1.00 0.00 C ATOM 459 O LEU A 190 15.226 -9.597 1.700 1.00 0.00 O ATOM 460 CB LEU A 190 14.379 -6.359 1.124 1.00 0.00 C ATOM 461 CG LEU A 190 15.794 -6.048 1.679 1.00 0.00 C ATOM 462 CD1 LEU A 190 15.991 -4.523 1.809 1.00 0.00 C ATOM 463 CD2 LEU A 190 16.069 -6.707 3.050 1.00 0.00 C ATOM 0 H LEU A 190 12.401 -6.907 -0.182 1.00 0.00 H new ATOM 0 HA LEU A 190 14.968 -7.999 -0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 190 14.145 -5.628 0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 190 13.656 -6.215 1.927 1.00 0.00 H new ATOM 0 HG LEU A 190 16.501 -6.469 0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 190 16.988 -4.317 2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 190 15.881 -4.057 0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 190 15.243 -4.116 2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 190 17.075 -6.450 3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 190 15.343 -6.347 3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 190 15.983 -7.790 2.957 1.00 0.00 H new ATOM 475 N ILE A 191 13.254 -8.921 2.505 1.00 0.00 N ATOM 476 CA ILE A 191 13.212 -9.983 3.533 1.00 0.00 C ATOM 477 C ILE A 191 13.393 -11.373 2.893 1.00 0.00 C ATOM 478 O ILE A 191 14.208 -12.179 3.340 1.00 0.00 O ATOM 479 CB ILE A 191 11.873 -9.897 4.314 1.00 0.00 C ATOM 480 CG1 ILE A 191 11.734 -8.523 5.019 1.00 0.00 C ATOM 481 CG2 ILE A 191 11.726 -11.056 5.328 1.00 0.00 C ATOM 482 CD1 ILE A 191 10.359 -8.302 5.686 1.00 0.00 C ATOM 0 H ILE A 191 12.465 -8.275 2.530 1.00 0.00 H new ATOM 0 HA ILE A 191 14.036 -9.835 4.231 1.00 0.00 H new ATOM 0 HB ILE A 191 11.064 -9.994 3.590 1.00 0.00 H new ATOM 0 HG12 ILE A 191 12.513 -8.433 5.776 1.00 0.00 H new ATOM 0 HG13 ILE A 191 11.905 -7.732 4.289 1.00 0.00 H new ATOM 0 HG21 ILE A 191 10.776 -10.961 5.855 1.00 0.00 H new ATOM 0 HG22 ILE A 191 11.753 -12.008 4.798 1.00 0.00 H new ATOM 0 HG23 ILE A 191 12.545 -11.017 6.046 1.00 0.00 H new ATOM 0 HD11 ILE A 191 10.337 -7.320 6.158 1.00 0.00 H new ATOM 0 HD12 ILE A 191 9.575 -8.359 4.931 1.00 0.00 H new ATOM 0 HD13 ILE A 191 10.193 -9.071 6.440 1.00 0.00 H new ATOM 494 N GLY A 192 12.623 -11.660 1.843 1.00 0.00 N ATOM 495 CA GLY A 192 12.727 -12.931 1.101 1.00 0.00 C ATOM 496 C GLY A 192 14.011 -13.086 0.265 1.00 0.00 C ATOM 497 O GLY A 192 14.386 -14.204 -0.088 1.00 0.00 O ATOM 0 H GLY A 192 11.911 -11.026 1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 192 12.671 -13.756 1.811 1.00 0.00 H new ATOM 0 HA3 GLY A 192 11.866 -13.021 0.439 1.00 0.00 H new ATOM 667 N THR A 205 20.257 4.316 -7.795 1.00 0.00 N ATOM 668 CA THR A 205 20.500 4.347 -9.248 1.00 0.00 C ATOM 669 C THR A 205 19.420 5.125 -10.013 1.00 0.00 C ATOM 670 O THR A 205 19.740 5.983 -10.834 1.00 0.00 O ATOM 671 CB THR A 205 20.585 2.893 -9.769 1.00 0.00 C ATOM 672 OG1 THR A 205 21.599 2.184 -9.047 1.00 0.00 O ATOM 673 CG2 THR A 205 20.911 2.810 -11.275 1.00 0.00 C ATOM 0 HA THR A 205 21.439 4.872 -9.422 1.00 0.00 H new ATOM 0 HB THR A 205 19.602 2.448 -9.615 1.00 0.00 H new ATOM 0 HG1 THR A 205 21.522 2.387 -8.091 1.00 0.00 H new ATOM 0 HG21 THR A 205 20.957 1.765 -11.580 1.00 0.00 H new ATOM 0 HG22 THR A 205 20.134 3.320 -11.844 1.00 0.00 H new ATOM 0 HG23 THR A 205 21.873 3.286 -11.466 1.00 0.00 H new ATOM 681 N LEU A 206 18.140 4.834 -9.773 1.00 0.00 N ATOM 682 CA LEU A 206 17.050 5.534 -10.481 1.00 0.00 C ATOM 683 C LEU A 206 17.050 7.041 -10.191 1.00 0.00 C ATOM 684 O LEU A 206 16.907 7.847 -11.109 1.00 0.00 O ATOM 685 CB LEU A 206 15.677 4.863 -10.217 1.00 0.00 C ATOM 686 CG LEU A 206 15.202 4.805 -8.743 1.00 0.00 C ATOM 687 CD1 LEU A 206 14.429 6.070 -8.307 1.00 0.00 C ATOM 688 CD2 LEU A 206 14.369 3.535 -8.476 1.00 0.00 C ATOM 0 H LEU A 206 17.828 4.129 -9.105 1.00 0.00 H new ATOM 0 HA LEU A 206 17.237 5.438 -11.550 1.00 0.00 H new ATOM 0 HB2 LEU A 206 14.922 5.394 -10.797 1.00 0.00 H new ATOM 0 HB3 LEU A 206 15.717 3.844 -10.602 1.00 0.00 H new ATOM 0 HG LEU A 206 16.105 4.765 -8.133 1.00 0.00 H new ATOM 0 HD11 LEU A 206 14.123 5.969 -7.266 1.00 0.00 H new ATOM 0 HD12 LEU A 206 15.072 6.944 -8.413 1.00 0.00 H new ATOM 0 HD13 LEU A 206 13.546 6.191 -8.934 1.00 0.00 H new ATOM 0 HD21 LEU A 206 14.050 3.522 -7.434 1.00 0.00 H new ATOM 0 HD22 LEU A 206 13.493 3.532 -9.124 1.00 0.00 H new ATOM 0 HD23 LEU A 206 14.975 2.653 -8.681 1.00 0.00 H new ATOM 700 N LEU A 207 17.225 7.444 -8.928 1.00 0.00 N ATOM 701 CA LEU A 207 17.315 8.877 -8.583 1.00 0.00 C ATOM 702 C LEU A 207 18.456 9.565 -9.343 1.00 0.00 C ATOM 703 O LEU A 207 18.266 10.600 -9.985 1.00 0.00 O ATOM 704 CB LEU A 207 17.544 9.022 -7.060 1.00 0.00 C ATOM 705 CG LEU A 207 16.352 8.524 -6.208 1.00 0.00 C ATOM 706 CD1 LEU A 207 16.720 8.485 -4.710 1.00 0.00 C ATOM 707 CD2 LEU A 207 15.085 9.375 -6.438 1.00 0.00 C ATOM 0 H LEU A 207 17.307 6.811 -8.132 1.00 0.00 H new ATOM 0 HA LEU A 207 16.380 9.359 -8.870 1.00 0.00 H new ATOM 0 HB2 LEU A 207 18.438 8.465 -6.780 1.00 0.00 H new ATOM 0 HB3 LEU A 207 17.735 10.070 -6.827 1.00 0.00 H new ATOM 0 HG LEU A 207 16.127 7.508 -6.533 1.00 0.00 H new ATOM 0 HD11 LEU A 207 15.865 8.132 -4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 207 17.562 7.810 -4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 207 16.993 9.486 -4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 207 14.272 8.992 -5.821 1.00 0.00 H new ATOM 0 HD22 LEU A 207 15.288 10.411 -6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 207 14.798 9.324 -7.488 1.00 0.00 H new ATOM 719 N PHE A 208 19.650 8.974 -9.278 1.00 0.00 N ATOM 720 CA PHE A 208 20.839 9.476 -9.989 1.00 0.00 C ATOM 721 C PHE A 208 20.537 9.675 -11.482 1.00 0.00 C ATOM 722 O PHE A 208 20.730 10.758 -12.030 1.00 0.00 O ATOM 723 CB PHE A 208 21.960 8.422 -9.803 1.00 0.00 C ATOM 724 CG PHE A 208 23.313 8.799 -10.261 1.00 0.00 C ATOM 725 CD1 PHE A 208 23.626 10.103 -10.666 1.00 0.00 C ATOM 726 CD2 PHE A 208 24.324 7.833 -10.217 1.00 0.00 C ATOM 727 CE1 PHE A 208 24.936 10.432 -11.021 1.00 0.00 C ATOM 728 CE2 PHE A 208 25.632 8.163 -10.572 1.00 0.00 C ATOM 729 CZ PHE A 208 25.939 9.463 -10.975 1.00 0.00 C ATOM 0 H PHE A 208 19.826 8.131 -8.731 1.00 0.00 H new ATOM 0 HA PHE A 208 21.143 10.443 -9.588 1.00 0.00 H new ATOM 0 HB2 PHE A 208 22.018 8.171 -8.744 1.00 0.00 H new ATOM 0 HB3 PHE A 208 21.664 7.515 -10.330 1.00 0.00 H new ATOM 0 HD1 PHE A 208 22.852 10.856 -10.704 1.00 0.00 H new ATOM 0 HD2 PHE A 208 24.090 6.825 -9.906 1.00 0.00 H new ATOM 0 HE1 PHE A 208 25.173 11.439 -11.332 1.00 0.00 H new ATOM 0 HE2 PHE A 208 26.407 7.412 -10.535 1.00 0.00 H new ATOM 0 HZ PHE A 208 26.951 9.719 -11.251 1.00 0.00 H new ATOM 739 N MET A 209 20.026 8.630 -12.135 1.00 0.00 N ATOM 740 CA MET A 209 19.664 8.669 -13.563 1.00 0.00 C ATOM 741 C MET A 209 18.741 9.848 -13.900 1.00 0.00 C ATOM 742 O MET A 209 18.999 10.583 -14.850 1.00 0.00 O ATOM 743 CB MET A 209 18.962 7.342 -13.923 1.00 0.00 C ATOM 744 CG MET A 209 18.599 7.227 -15.419 1.00 0.00 C ATOM 745 SD MET A 209 17.700 5.699 -15.795 1.00 0.00 S ATOM 746 CE MET A 209 16.171 5.984 -14.864 1.00 0.00 C ATOM 0 H MET A 209 19.849 7.728 -11.692 1.00 0.00 H new ATOM 0 HA MET A 209 20.577 8.802 -14.144 1.00 0.00 H new ATOM 0 HB2 MET A 209 19.611 6.510 -13.649 1.00 0.00 H new ATOM 0 HB3 MET A 209 18.054 7.247 -13.328 1.00 0.00 H new ATOM 0 HG2 MET A 209 17.991 8.084 -15.710 1.00 0.00 H new ATOM 0 HG3 MET A 209 19.511 7.265 -16.015 1.00 0.00 H new ATOM 0 HE1 MET A 209 15.313 5.749 -15.493 1.00 0.00 H new ATOM 0 HE2 MET A 209 16.159 5.346 -13.980 1.00 0.00 H new ATOM 0 HE3 MET A 209 16.121 7.029 -14.558 1.00 0.00 H new ATOM 756 N VAL A 210 17.646 10.029 -13.155 1.00 0.00 N ATOM 757 CA VAL A 210 16.735 11.170 -13.383 1.00 0.00 C ATOM 758 C VAL A 210 17.495 12.507 -13.397 1.00 0.00 C ATOM 759 O VAL A 210 17.322 13.318 -14.307 1.00 0.00 O ATOM 760 CB VAL A 210 15.614 11.176 -12.310 1.00 0.00 C ATOM 761 CG1 VAL A 210 14.734 12.446 -12.380 1.00 0.00 C ATOM 762 CG2 VAL A 210 14.716 9.926 -12.441 1.00 0.00 C ATOM 0 H VAL A 210 17.365 9.410 -12.394 1.00 0.00 H new ATOM 0 HA VAL A 210 16.279 11.051 -14.366 1.00 0.00 H new ATOM 0 HB VAL A 210 16.118 11.167 -11.343 1.00 0.00 H new ATOM 0 HG11 VAL A 210 13.966 12.399 -11.608 1.00 0.00 H new ATOM 0 HG12 VAL A 210 15.355 13.328 -12.221 1.00 0.00 H new ATOM 0 HG13 VAL A 210 14.261 12.507 -13.360 1.00 0.00 H new ATOM 0 HG21 VAL A 210 13.939 9.955 -11.677 1.00 0.00 H new ATOM 0 HG22 VAL A 210 14.254 9.911 -13.428 1.00 0.00 H new ATOM 0 HG23 VAL A 210 15.320 9.028 -12.310 1.00 0.00 H new ATOM 772 N LEU A 211 18.334 12.744 -12.385 1.00 0.00 N ATOM 773 CA LEU A 211 19.170 13.962 -12.332 1.00 0.00 C ATOM 774 C LEU A 211 20.037 14.114 -13.590 1.00 0.00 C ATOM 775 O LEU A 211 20.092 15.182 -14.200 1.00 0.00 O ATOM 776 CB LEU A 211 20.088 13.906 -11.090 1.00 0.00 C ATOM 777 CG LEU A 211 19.325 13.838 -9.747 1.00 0.00 C ATOM 778 CD1 LEU A 211 20.303 13.646 -8.571 1.00 0.00 C ATOM 779 CD2 LEU A 211 18.432 15.077 -9.525 1.00 0.00 C ATOM 0 H LEU A 211 18.457 12.116 -11.591 1.00 0.00 H new ATOM 0 HA LEU A 211 18.501 14.821 -12.274 1.00 0.00 H new ATOM 0 HB2 LEU A 211 20.739 13.035 -11.171 1.00 0.00 H new ATOM 0 HB3 LEU A 211 20.731 14.786 -11.086 1.00 0.00 H new ATOM 0 HG LEU A 211 18.666 12.971 -9.793 1.00 0.00 H new ATOM 0 HD11 LEU A 211 19.744 13.601 -7.636 1.00 0.00 H new ATOM 0 HD12 LEU A 211 20.858 12.718 -8.707 1.00 0.00 H new ATOM 0 HD13 LEU A 211 21.000 14.483 -8.537 1.00 0.00 H new ATOM 0 HD21 LEU A 211 17.915 14.986 -8.570 1.00 0.00 H new ATOM 0 HD22 LEU A 211 19.050 15.975 -9.519 1.00 0.00 H new ATOM 0 HD23 LEU A 211 17.699 15.146 -10.329 1.00 0.00 H new ATOM 791 N ASP A 212 20.734 13.045 -13.973 1.00 0.00 N ATOM 792 CA ASP A 212 21.590 13.035 -15.175 1.00 0.00 C ATOM 793 C ASP A 212 20.819 13.469 -16.429 1.00 0.00 C ATOM 794 O ASP A 212 21.246 14.362 -17.162 1.00 0.00 O ATOM 795 CB ASP A 212 22.143 11.599 -15.380 1.00 0.00 C ATOM 796 CG ASP A 212 22.938 11.088 -14.161 1.00 0.00 C ATOM 797 OD1 ASP A 212 23.422 11.892 -13.363 1.00 0.00 O ATOM 798 OD2 ASP A 212 23.079 9.872 -14.031 1.00 0.00 O ATOM 0 H ASP A 212 20.726 12.160 -13.465 1.00 0.00 H new ATOM 0 HA ASP A 212 22.402 13.746 -15.024 1.00 0.00 H new ATOM 0 HB2 ASP A 212 21.314 10.920 -15.579 1.00 0.00 H new ATOM 0 HB3 ASP A 212 22.786 11.584 -16.260 1.00 0.00 H new ATOM 803 N VAL A 213 19.673 12.835 -16.678 1.00 0.00 N ATOM 804 CA VAL A 213 18.818 13.166 -17.833 1.00 0.00 C ATOM 805 C VAL A 213 18.404 14.643 -17.827 1.00 0.00 C ATOM 806 O VAL A 213 18.626 15.355 -18.805 1.00 0.00 O ATOM 807 CB VAL A 213 17.565 12.248 -17.832 1.00 0.00 C ATOM 808 CG1 VAL A 213 16.558 12.627 -18.942 1.00 0.00 C ATOM 809 CG2 VAL A 213 17.958 10.761 -17.977 1.00 0.00 C ATOM 0 H VAL A 213 19.308 12.083 -16.094 1.00 0.00 H new ATOM 0 HA VAL A 213 19.392 12.996 -18.744 1.00 0.00 H new ATOM 0 HB VAL A 213 17.079 12.398 -16.868 1.00 0.00 H new ATOM 0 HG11 VAL A 213 15.700 11.956 -18.899 1.00 0.00 H new ATOM 0 HG12 VAL A 213 16.223 13.654 -18.795 1.00 0.00 H new ATOM 0 HG13 VAL A 213 17.040 12.539 -19.916 1.00 0.00 H new ATOM 0 HG21 VAL A 213 17.059 10.145 -17.973 1.00 0.00 H new ATOM 0 HG22 VAL A 213 18.493 10.616 -18.916 1.00 0.00 H new ATOM 0 HG23 VAL A 213 18.600 10.472 -17.145 1.00 0.00 H new ATOM 819 N SER A 214 17.806 15.120 -16.733 1.00 0.00 N ATOM 820 CA SER A 214 17.346 16.521 -16.652 1.00 0.00 C ATOM 821 C SER A 214 18.483 17.517 -16.925 1.00 0.00 C ATOM 822 O SER A 214 18.319 18.468 -17.689 1.00 0.00 O ATOM 823 CB SER A 214 16.689 16.789 -15.277 1.00 0.00 C ATOM 824 OG SER A 214 17.602 16.498 -14.214 1.00 0.00 O ATOM 0 H SER A 214 17.627 14.568 -15.894 1.00 0.00 H new ATOM 0 HA SER A 214 16.600 16.672 -17.432 1.00 0.00 H new ATOM 0 HB2 SER A 214 16.373 17.830 -15.216 1.00 0.00 H new ATOM 0 HB3 SER A 214 15.793 16.177 -15.171 1.00 0.00 H new ATOM 0 HG SER A 214 18.305 15.899 -14.542 1.00 0.00 H new ATOM 830 N ALA A 215 19.645 17.304 -16.302 1.00 0.00 N ATOM 831 CA ALA A 215 20.834 18.142 -16.541 1.00 0.00 C ATOM 832 C ALA A 215 21.229 18.169 -18.024 1.00 0.00 C ATOM 833 O ALA A 215 21.441 19.236 -18.598 1.00 0.00 O ATOM 834 CB ALA A 215 22.011 17.595 -15.709 1.00 0.00 C ATOM 0 H ALA A 215 19.793 16.556 -15.624 1.00 0.00 H new ATOM 0 HA ALA A 215 20.593 19.162 -16.243 1.00 0.00 H new ATOM 0 HB1 ALA A 215 22.895 18.210 -15.881 1.00 0.00 H new ATOM 0 HB2 ALA A 215 21.751 17.620 -14.651 1.00 0.00 H new ATOM 0 HB3 ALA A 215 22.221 16.568 -16.007 1.00 0.00 H new ATOM 840 N LYS A 216 21.341 16.994 -18.651 1.00 0.00 N ATOM 841 CA LYS A 216 21.679 16.895 -20.083 1.00 0.00 C ATOM 842 C LYS A 216 20.707 17.694 -20.962 1.00 0.00 C ATOM 843 O LYS A 216 21.130 18.443 -21.841 1.00 0.00 O ATOM 844 CB LYS A 216 21.669 15.406 -20.504 1.00 0.00 C ATOM 845 CG LYS A 216 22.051 15.167 -21.983 1.00 0.00 C ATOM 846 CD LYS A 216 23.466 15.683 -22.335 1.00 0.00 C ATOM 847 CE LYS A 216 23.858 15.421 -23.805 1.00 0.00 C ATOM 848 NZ LYS A 216 23.859 13.976 -24.076 1.00 0.00 N ATOM 0 H LYS A 216 21.203 16.094 -18.192 1.00 0.00 H new ATOM 0 HA LYS A 216 22.671 17.323 -20.227 1.00 0.00 H new ATOM 0 HB2 LYS A 216 22.361 14.855 -19.867 1.00 0.00 H new ATOM 0 HB3 LYS A 216 20.675 14.995 -20.325 1.00 0.00 H new ATOM 0 HG2 LYS A 216 21.996 14.100 -22.198 1.00 0.00 H new ATOM 0 HG3 LYS A 216 21.321 15.660 -22.625 1.00 0.00 H new ATOM 0 HD2 LYS A 216 23.515 16.754 -22.137 1.00 0.00 H new ATOM 0 HD3 LYS A 216 24.194 15.204 -21.680 1.00 0.00 H new ATOM 0 HE2 LYS A 216 23.157 15.924 -24.472 1.00 0.00 H new ATOM 0 HE3 LYS A 216 24.845 15.838 -24.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 216 24.345 13.792 -24.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 216 24.354 13.479 -23.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 216 22.879 13.633 -24.135 1.00 0.00 H new ATOM 862 N VAL A 217 19.400 17.523 -20.748 1.00 0.00 N ATOM 863 CA VAL A 217 18.381 18.300 -21.482 1.00 0.00 C ATOM 864 C VAL A 217 18.621 19.808 -21.332 1.00 0.00 C ATOM 865 O VAL A 217 18.687 20.532 -22.326 1.00 0.00 O ATOM 866 CB VAL A 217 16.961 17.913 -20.988 1.00 0.00 C ATOM 867 CG1 VAL A 217 15.859 18.800 -21.616 1.00 0.00 C ATOM 868 CG2 VAL A 217 16.653 16.427 -21.275 1.00 0.00 C ATOM 0 H VAL A 217 19.017 16.858 -20.076 1.00 0.00 H new ATOM 0 HA VAL A 217 18.460 18.059 -22.542 1.00 0.00 H new ATOM 0 HB VAL A 217 16.957 18.079 -19.911 1.00 0.00 H new ATOM 0 HG11 VAL A 217 14.884 18.490 -21.239 1.00 0.00 H new ATOM 0 HG12 VAL A 217 16.036 19.842 -21.351 1.00 0.00 H new ATOM 0 HG13 VAL A 217 15.880 18.693 -22.701 1.00 0.00 H new ATOM 0 HG21 VAL A 217 15.652 16.187 -20.917 1.00 0.00 H new ATOM 0 HG22 VAL A 217 16.708 16.245 -22.348 1.00 0.00 H new ATOM 0 HG23 VAL A 217 17.381 15.799 -20.762 1.00 0.00 H new ATOM 878 N GLY A 218 18.758 20.291 -20.094 1.00 0.00 N ATOM 879 CA GLY A 218 19.045 21.715 -19.833 1.00 0.00 C ATOM 880 C GLY A 218 20.241 22.215 -20.652 1.00 0.00 C ATOM 881 O GLY A 218 20.155 23.229 -21.343 1.00 0.00 O ATOM 0 H GLY A 218 18.676 19.721 -19.252 1.00 0.00 H new ATOM 0 HA2 GLY A 218 18.165 22.313 -20.072 1.00 0.00 H new ATOM 0 HA3 GLY A 218 19.247 21.856 -18.771 1.00 0.00 H new ATOM 885 N PHE A 219 21.364 21.496 -20.579 1.00 0.00 N ATOM 886 CA PHE A 219 22.566 21.821 -21.371 1.00 0.00 C ATOM 887 C PHE A 219 22.231 21.946 -22.863 1.00 0.00 C ATOM 888 O PHE A 219 22.630 22.907 -23.518 1.00 0.00 O ATOM 889 CB PHE A 219 23.633 20.721 -21.144 1.00 0.00 C ATOM 890 CG PHE A 219 24.942 21.004 -21.768 1.00 0.00 C ATOM 891 CD1 PHE A 219 25.085 21.006 -23.160 1.00 0.00 C ATOM 892 CD2 PHE A 219 26.037 21.329 -20.962 1.00 0.00 C ATOM 893 CE1 PHE A 219 26.309 21.343 -23.740 1.00 0.00 C ATOM 894 CE2 PHE A 219 27.263 21.664 -21.542 1.00 0.00 C ATOM 895 CZ PHE A 219 27.399 21.672 -22.931 1.00 0.00 C ATOM 0 H PHE A 219 21.472 20.679 -19.978 1.00 0.00 H new ATOM 0 HA PHE A 219 22.957 22.784 -21.043 1.00 0.00 H new ATOM 0 HB2 PHE A 219 23.776 20.586 -20.072 1.00 0.00 H new ATOM 0 HB3 PHE A 219 23.254 19.777 -21.536 1.00 0.00 H new ATOM 0 HD1 PHE A 219 24.245 20.746 -23.788 1.00 0.00 H new ATOM 0 HD2 PHE A 219 25.935 21.321 -19.887 1.00 0.00 H new ATOM 0 HE1 PHE A 219 26.413 21.349 -24.815 1.00 0.00 H new ATOM 0 HE2 PHE A 219 28.106 21.917 -20.915 1.00 0.00 H new ATOM 0 HZ PHE A 219 28.346 21.932 -23.380 1.00 0.00 H new ATOM 905 N GLY A 220 21.510 20.967 -23.415 1.00 0.00 N ATOM 906 CA GLY A 220 21.064 21.012 -24.820 1.00 0.00 C ATOM 907 C GLY A 220 20.339 22.320 -25.156 1.00 0.00 C ATOM 908 O GLY A 220 20.738 23.043 -26.065 1.00 0.00 O ATOM 0 H GLY A 220 21.219 20.128 -22.913 1.00 0.00 H new ATOM 0 HA2 GLY A 220 21.926 20.897 -25.477 1.00 0.00 H new ATOM 0 HA3 GLY A 220 20.400 20.170 -25.016 1.00 0.00 H new ATOM 912 N LEU A 221 19.275 22.644 -24.416 1.00 0.00 N ATOM 913 CA LEU A 221 18.526 23.900 -24.635 1.00 0.00 C ATOM 914 C LEU A 221 19.439 25.134 -24.608 1.00 0.00 C ATOM 915 O LEU A 221 19.327 26.020 -25.457 1.00 0.00 O ATOM 916 CB LEU A 221 17.396 24.060 -23.589 1.00 0.00 C ATOM 917 CG LEU A 221 16.108 23.268 -23.927 1.00 0.00 C ATOM 918 CD1 LEU A 221 16.304 21.738 -23.928 1.00 0.00 C ATOM 919 CD2 LEU A 221 14.959 23.668 -22.977 1.00 0.00 C ATOM 0 H LEU A 221 18.909 22.062 -23.662 1.00 0.00 H new ATOM 0 HA LEU A 221 18.087 23.832 -25.630 1.00 0.00 H new ATOM 0 HB2 LEU A 221 17.766 23.734 -22.617 1.00 0.00 H new ATOM 0 HB3 LEU A 221 17.147 25.117 -23.497 1.00 0.00 H new ATOM 0 HG LEU A 221 15.845 23.540 -24.949 1.00 0.00 H new ATOM 0 HD11 LEU A 221 15.360 21.250 -24.173 1.00 0.00 H new ATOM 0 HD12 LEU A 221 17.055 21.468 -24.670 1.00 0.00 H new ATOM 0 HD13 LEU A 221 16.635 21.413 -22.942 1.00 0.00 H new ATOM 0 HD21 LEU A 221 14.063 23.101 -23.230 1.00 0.00 H new ATOM 0 HD22 LEU A 221 15.246 23.452 -21.948 1.00 0.00 H new ATOM 0 HD23 LEU A 221 14.755 24.734 -23.081 1.00 0.00 H new ATOM 931 N ILE A 222 20.337 25.214 -23.624 1.00 0.00 N ATOM 932 CA ILE A 222 21.322 26.310 -23.549 1.00 0.00 C ATOM 933 C ILE A 222 22.158 26.411 -24.836 1.00 0.00 C ATOM 934 O ILE A 222 22.314 27.490 -25.410 1.00 0.00 O ATOM 935 CB ILE A 222 22.229 26.091 -22.305 1.00 0.00 C ATOM 936 CG1 ILE A 222 21.407 26.218 -20.997 1.00 0.00 C ATOM 937 CG2 ILE A 222 23.463 27.026 -22.281 1.00 0.00 C ATOM 938 CD1 ILE A 222 22.189 25.802 -19.733 1.00 0.00 C ATOM 0 H ILE A 222 20.407 24.536 -22.865 1.00 0.00 H new ATOM 0 HA ILE A 222 20.791 27.256 -23.448 1.00 0.00 H new ATOM 0 HB ILE A 222 22.618 25.075 -22.378 1.00 0.00 H new ATOM 0 HG12 ILE A 222 21.075 27.250 -20.885 1.00 0.00 H new ATOM 0 HG13 ILE A 222 20.512 25.602 -21.079 1.00 0.00 H new ATOM 0 HG21 ILE A 222 24.055 26.824 -21.389 1.00 0.00 H new ATOM 0 HG22 ILE A 222 24.071 26.849 -23.168 1.00 0.00 H new ATOM 0 HG23 ILE A 222 23.132 28.065 -22.269 1.00 0.00 H new ATOM 0 HD11 ILE A 222 21.551 25.917 -18.856 1.00 0.00 H new ATOM 0 HD12 ILE A 222 22.498 24.761 -19.823 1.00 0.00 H new ATOM 0 HD13 ILE A 222 23.070 26.434 -19.626 1.00 0.00 H new ATOM 950 N LEU A 223 22.712 25.282 -25.281 1.00 0.00 N ATOM 951 CA LEU A 223 23.494 25.210 -26.530 1.00 0.00 C ATOM 952 C LEU A 223 22.705 25.757 -27.728 1.00 0.00 C ATOM 953 O LEU A 223 23.227 26.547 -28.513 1.00 0.00 O ATOM 954 CB LEU A 223 23.893 23.735 -26.781 1.00 0.00 C ATOM 955 CG LEU A 223 24.778 23.522 -28.032 1.00 0.00 C ATOM 956 CD1 LEU A 223 26.121 24.276 -27.926 1.00 0.00 C ATOM 957 CD2 LEU A 223 25.006 22.019 -28.294 1.00 0.00 C ATOM 0 H LEU A 223 22.635 24.390 -24.792 1.00 0.00 H new ATOM 0 HA LEU A 223 24.384 25.830 -26.421 1.00 0.00 H new ATOM 0 HB2 LEU A 223 24.424 23.360 -25.906 1.00 0.00 H new ATOM 0 HB3 LEU A 223 22.987 23.138 -26.885 1.00 0.00 H new ATOM 0 HG LEU A 223 24.242 23.941 -28.883 1.00 0.00 H new ATOM 0 HD11 LEU A 223 26.710 24.098 -28.826 1.00 0.00 H new ATOM 0 HD12 LEU A 223 25.931 25.344 -27.822 1.00 0.00 H new ATOM 0 HD13 LEU A 223 26.671 23.919 -27.056 1.00 0.00 H new ATOM 0 HD21 LEU A 223 25.631 21.895 -29.178 1.00 0.00 H new ATOM 0 HD22 LEU A 223 25.502 21.571 -27.433 1.00 0.00 H new ATOM 0 HD23 LEU A 223 24.046 21.528 -28.456 1.00 0.00 H new