USER MOD reduce.3.24.130724 H: found=0, std=0, add=370, rem=0, adj=8 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 USER MOD Single : A 170 THR OG1 : rot 180:sc= 0 USER MOD Single : A 172 LYS NZ :NH3+ 163:sc= -0.0491 (180deg=-0.338) USER MOD Single : A 176 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 178 THR OG1 : rot -7:sc= 0.479 USER MOD Single : A 183 SER OG : rot -35:sc= 0.528 USER MOD Single : A 185 TYR OH : rot 180:sc= 0 USER MOD Single : A 205 THR OG1 : rot 27:sc= 0.116 USER MOD Single : A 209 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 214 SER OG : rot -36:sc= 0.599 USER MOD Single : A 216 LYS NZ :NH3+ 180:sc= -0.648 (180deg=-0.648) USER MOD ----------------------------------------------------------------- ATOM 89 N ALA A 168 -16.662 9.672 -0.698 1.00 0.00 N ATOM 90 CA ALA A 168 -15.328 10.254 -0.472 1.00 0.00 C ATOM 91 C ALA A 168 -14.507 9.374 0.476 1.00 0.00 C ATOM 92 O ALA A 168 -13.389 8.977 0.152 1.00 0.00 O ATOM 93 CB ALA A 168 -15.480 11.663 0.136 1.00 0.00 C ATOM 0 HA ALA A 168 -14.807 10.316 -1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 168 -14.494 12.095 0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 168 -16.042 12.297 -0.550 1.00 0.00 H new ATOM 0 HB3 ALA A 168 -16.012 11.594 1.085 1.00 0.00 H new ATOM 99 N SER A 169 -15.066 9.057 1.650 1.00 0.00 N ATOM 100 CA SER A 169 -14.397 8.183 2.631 1.00 0.00 C ATOM 101 C SER A 169 -13.821 6.913 1.985 1.00 0.00 C ATOM 102 O SER A 169 -12.609 6.706 2.011 1.00 0.00 O ATOM 103 CB SER A 169 -15.411 7.809 3.738 1.00 0.00 C ATOM 104 OG SER A 169 -14.778 7.016 4.745 1.00 0.00 O ATOM 0 H SER A 169 -15.982 9.392 1.948 1.00 0.00 H new ATOM 0 HA SER A 169 -13.554 8.728 3.056 1.00 0.00 H new ATOM 0 HB2 SER A 169 -15.823 8.714 4.184 1.00 0.00 H new ATOM 0 HB3 SER A 169 -16.246 7.259 3.304 1.00 0.00 H new ATOM 0 HG SER A 169 -15.430 6.788 5.440 1.00 0.00 H new ATOM 110 N THR A 170 -14.659 6.074 1.369 1.00 0.00 N ATOM 111 CA THR A 170 -14.184 4.807 0.780 1.00 0.00 C ATOM 112 C THR A 170 -13.110 5.027 -0.301 1.00 0.00 C ATOM 113 O THR A 170 -12.155 4.256 -0.398 1.00 0.00 O ATOM 114 CB THR A 170 -15.362 3.967 0.219 1.00 0.00 C ATOM 115 OG1 THR A 170 -14.844 2.710 -0.226 1.00 0.00 O ATOM 116 CG2 THR A 170 -16.121 4.630 -0.950 1.00 0.00 C ATOM 0 H THR A 170 -15.660 6.241 1.263 1.00 0.00 H new ATOM 0 HA THR A 170 -13.717 4.246 1.590 1.00 0.00 H new ATOM 0 HB THR A 170 -16.083 3.861 1.029 1.00 0.00 H new ATOM 0 HG1 THR A 170 -15.575 2.163 -0.583 1.00 0.00 H new ATOM 0 HG21 THR A 170 -16.927 3.974 -1.279 1.00 0.00 H new ATOM 0 HG22 THR A 170 -16.539 5.581 -0.620 1.00 0.00 H new ATOM 0 HG23 THR A 170 -15.434 4.804 -1.778 1.00 0.00 H new ATOM 124 N PHE A 171 -13.275 6.048 -1.147 1.00 0.00 N ATOM 125 CA PHE A 171 -12.270 6.376 -2.176 1.00 0.00 C ATOM 126 C PHE A 171 -10.888 6.628 -1.554 1.00 0.00 C ATOM 127 O PHE A 171 -9.894 6.012 -1.942 1.00 0.00 O ATOM 128 CB PHE A 171 -12.743 7.636 -2.936 1.00 0.00 C ATOM 129 CG PHE A 171 -11.896 7.993 -4.088 1.00 0.00 C ATOM 130 CD1 PHE A 171 -11.779 7.115 -5.170 1.00 0.00 C ATOM 131 CD2 PHE A 171 -11.245 9.229 -4.121 1.00 0.00 C ATOM 132 CE1 PHE A 171 -11.022 7.476 -6.287 1.00 0.00 C ATOM 133 CE2 PHE A 171 -10.485 9.589 -5.237 1.00 0.00 C ATOM 134 CZ PHE A 171 -10.375 8.714 -6.320 1.00 0.00 C ATOM 0 H PHE A 171 -14.089 6.662 -1.144 1.00 0.00 H new ATOM 0 HA PHE A 171 -12.172 5.531 -2.858 1.00 0.00 H new ATOM 0 HB2 PHE A 171 -13.764 7.476 -3.284 1.00 0.00 H new ATOM 0 HB3 PHE A 171 -12.770 8.477 -2.243 1.00 0.00 H new ATOM 0 HD1 PHE A 171 -12.275 6.156 -5.142 1.00 0.00 H new ATOM 0 HD2 PHE A 171 -11.329 9.906 -3.284 1.00 0.00 H new ATOM 0 HE1 PHE A 171 -10.937 6.799 -7.124 1.00 0.00 H new ATOM 0 HE2 PHE A 171 -9.982 10.545 -5.262 1.00 0.00 H new ATOM 0 HZ PHE A 171 -9.790 8.994 -7.183 1.00 0.00 H new ATOM 144 N LYS A 172 -10.816 7.538 -0.580 1.00 0.00 N ATOM 145 CA LYS A 172 -9.548 7.838 0.109 1.00 0.00 C ATOM 146 C LYS A 172 -8.954 6.603 0.798 1.00 0.00 C ATOM 147 O LYS A 172 -7.749 6.371 0.718 1.00 0.00 O ATOM 148 CB LYS A 172 -9.719 8.996 1.121 1.00 0.00 C ATOM 149 CG LYS A 172 -9.730 10.395 0.459 1.00 0.00 C ATOM 150 CD LYS A 172 -10.975 10.685 -0.408 1.00 0.00 C ATOM 151 CE LYS A 172 -10.887 12.024 -1.170 1.00 0.00 C ATOM 152 NZ LYS A 172 -9.763 11.986 -2.119 1.00 0.00 N ATOM 0 H LYS A 172 -11.614 8.080 -0.248 1.00 0.00 H new ATOM 0 HA LYS A 172 -8.842 8.153 -0.660 1.00 0.00 H new ATOM 0 HB2 LYS A 172 -10.650 8.855 1.670 1.00 0.00 H new ATOM 0 HB3 LYS A 172 -8.910 8.954 1.850 1.00 0.00 H new ATOM 0 HG2 LYS A 172 -9.662 11.153 1.240 1.00 0.00 H new ATOM 0 HG3 LYS A 172 -8.840 10.496 -0.161 1.00 0.00 H new ATOM 0 HD2 LYS A 172 -11.107 9.875 -1.125 1.00 0.00 H new ATOM 0 HD3 LYS A 172 -11.859 10.694 0.229 1.00 0.00 H new ATOM 0 HE2 LYS A 172 -11.819 12.211 -1.704 1.00 0.00 H new ATOM 0 HE3 LYS A 172 -10.753 12.845 -0.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 172 -9.874 12.747 -2.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 172 -8.869 12.117 -1.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 172 -9.750 11.067 -2.606 1.00 0.00 H new ATOM 166 N VAL A 173 -9.778 5.812 1.491 1.00 0.00 N ATOM 167 CA VAL A 173 -9.319 4.545 2.097 1.00 0.00 C ATOM 168 C VAL A 173 -8.650 3.632 1.058 1.00 0.00 C ATOM 169 O VAL A 173 -7.567 3.100 1.300 1.00 0.00 O ATOM 170 CB VAL A 173 -10.516 3.828 2.778 1.00 0.00 C ATOM 171 CG1 VAL A 173 -10.163 2.400 3.254 1.00 0.00 C ATOM 172 CG2 VAL A 173 -11.041 4.648 3.978 1.00 0.00 C ATOM 0 H VAL A 173 -10.764 6.020 1.650 1.00 0.00 H new ATOM 0 HA VAL A 173 -8.567 4.776 2.851 1.00 0.00 H new ATOM 0 HB VAL A 173 -11.293 3.747 2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 173 -11.036 1.946 3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 173 -9.855 1.797 2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 173 -9.348 2.448 3.976 1.00 0.00 H new ATOM 0 HG21 VAL A 173 -11.879 4.124 4.438 1.00 0.00 H new ATOM 0 HG22 VAL A 173 -10.244 4.771 4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 173 -11.371 5.628 3.633 1.00 0.00 H new ATOM 182 N LEU A 174 -9.292 3.430 -0.096 1.00 0.00 N ATOM 183 CA LEU A 174 -8.715 2.632 -1.196 1.00 0.00 C ATOM 184 C LEU A 174 -7.308 3.130 -1.551 1.00 0.00 C ATOM 185 O LEU A 174 -6.345 2.365 -1.516 1.00 0.00 O ATOM 186 CB LEU A 174 -9.664 2.731 -2.419 1.00 0.00 C ATOM 187 CG LEU A 174 -9.354 1.779 -3.604 1.00 0.00 C ATOM 188 CD1 LEU A 174 -10.543 1.751 -4.587 1.00 0.00 C ATOM 189 CD2 LEU A 174 -8.065 2.142 -4.377 1.00 0.00 C ATOM 0 H LEU A 174 -10.217 3.808 -0.299 1.00 0.00 H new ATOM 0 HA LEU A 174 -8.619 1.591 -0.888 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -10.681 2.536 -2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -9.642 3.756 -2.788 1.00 0.00 H new ATOM 0 HG LEU A 174 -9.192 0.796 -3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -10.315 1.080 -5.415 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -11.435 1.398 -4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -10.720 2.755 -4.972 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -7.916 1.431 -5.190 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -8.158 3.148 -4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -7.212 2.103 -3.700 1.00 0.00 H new ATOM 201 N ARG A 175 -7.177 4.419 -1.880 1.00 0.00 N ATOM 202 CA ARG A 175 -5.864 5.007 -2.215 1.00 0.00 C ATOM 203 C ARG A 175 -4.815 4.775 -1.121 1.00 0.00 C ATOM 204 O ARG A 175 -3.689 4.374 -1.408 1.00 0.00 O ATOM 205 CB ARG A 175 -6.000 6.519 -2.507 1.00 0.00 C ATOM 206 CG ARG A 175 -6.449 6.814 -3.955 1.00 0.00 C ATOM 207 CD ARG A 175 -7.853 6.275 -4.304 1.00 0.00 C ATOM 208 NE ARG A 175 -8.110 6.436 -5.745 1.00 0.00 N ATOM 209 CZ ARG A 175 -7.536 5.652 -6.661 1.00 0.00 C ATOM 210 NH1 ARG A 175 -6.691 4.680 -6.312 1.00 0.00 N ATOM 211 NH2 ARG A 175 -7.817 5.846 -7.946 1.00 0.00 N ATOM 0 H ARG A 175 -7.955 5.077 -1.923 1.00 0.00 H new ATOM 0 HA ARG A 175 -5.515 4.495 -3.112 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -6.719 6.955 -1.813 1.00 0.00 H new ATOM 0 HB3 ARG A 175 -5.043 7.007 -2.322 1.00 0.00 H new ATOM 0 HG2 ARG A 175 -6.436 7.892 -4.115 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -5.724 6.380 -4.644 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -7.927 5.223 -4.028 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -8.610 6.809 -3.729 1.00 0.00 H new ATOM 0 HE ARG A 175 -8.747 7.170 -6.054 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -6.472 4.524 -5.328 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -6.264 4.093 -7.029 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -8.463 6.586 -8.221 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -7.386 5.255 -8.657 1.00 0.00 H new ATOM 225 N ASN A 176 -5.166 5.038 0.138 1.00 0.00 N ATOM 226 CA ASN A 176 -4.275 4.755 1.277 1.00 0.00 C ATOM 227 C ASN A 176 -3.746 3.314 1.233 1.00 0.00 C ATOM 228 O ASN A 176 -2.538 3.089 1.181 1.00 0.00 O ATOM 229 CB ASN A 176 -5.069 4.995 2.583 1.00 0.00 C ATOM 230 CG ASN A 176 -4.297 4.466 3.795 1.00 0.00 C ATOM 231 OD1 ASN A 176 -3.280 5.015 4.212 1.00 0.00 O ATOM 232 ND2 ASN A 176 -4.767 3.361 4.365 1.00 0.00 N ATOM 0 H ASN A 176 -6.062 5.448 0.401 1.00 0.00 H new ATOM 0 HA ASN A 176 -3.410 5.416 1.229 1.00 0.00 H new ATOM 0 HB2 ASN A 176 -5.262 6.061 2.706 1.00 0.00 H new ATOM 0 HB3 ASN A 176 -6.039 4.501 2.520 1.00 0.00 H new ATOM 0 HD21 ASN A 176 -4.282 2.953 5.164 1.00 0.00 H new ATOM 0 HD22 ASN A 176 -5.613 2.921 4.003 1.00 0.00 H new ATOM 239 N VAL A 177 -4.650 2.332 1.232 1.00 0.00 N ATOM 240 CA VAL A 177 -4.268 0.908 1.219 1.00 0.00 C ATOM 241 C VAL A 177 -3.330 0.576 0.049 1.00 0.00 C ATOM 242 O VAL A 177 -2.280 -0.032 0.247 1.00 0.00 O ATOM 243 CB VAL A 177 -5.548 0.031 1.168 1.00 0.00 C ATOM 244 CG1 VAL A 177 -5.232 -1.474 1.001 1.00 0.00 C ATOM 245 CG2 VAL A 177 -6.411 0.237 2.433 1.00 0.00 C ATOM 0 H VAL A 177 -5.657 2.492 1.240 1.00 0.00 H new ATOM 0 HA VAL A 177 -3.717 0.693 2.135 1.00 0.00 H new ATOM 0 HB VAL A 177 -6.104 0.356 0.289 1.00 0.00 H new ATOM 0 HG11 VAL A 177 -6.163 -2.040 0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 177 -4.683 -1.630 0.072 1.00 0.00 H new ATOM 0 HG13 VAL A 177 -4.627 -1.814 1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 177 -7.301 -0.389 2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 177 -5.834 -0.038 3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 177 -6.707 1.283 2.505 1.00 0.00 H new ATOM 255 N THR A 178 -3.698 0.965 -1.174 1.00 0.00 N ATOM 256 CA THR A 178 -2.874 0.672 -2.362 1.00 0.00 C ATOM 257 C THR A 178 -1.456 1.255 -2.259 1.00 0.00 C ATOM 258 O THR A 178 -0.475 0.552 -2.502 1.00 0.00 O ATOM 259 CB THR A 178 -3.586 1.157 -3.650 1.00 0.00 C ATOM 260 OG1 THR A 178 -3.909 2.547 -3.548 1.00 0.00 O ATOM 261 CG2 THR A 178 -4.877 0.361 -3.939 1.00 0.00 C ATOM 0 H THR A 178 -4.555 1.481 -1.373 1.00 0.00 H new ATOM 0 HA THR A 178 -2.758 -0.411 -2.412 1.00 0.00 H new ATOM 0 HB THR A 178 -2.892 0.992 -4.474 1.00 0.00 H new ATOM 0 HG1 THR A 178 -3.717 2.862 -2.640 1.00 0.00 H new ATOM 0 HG21 THR A 178 -5.340 0.737 -4.851 1.00 0.00 H new ATOM 0 HG22 THR A 178 -4.634 -0.694 -4.064 1.00 0.00 H new ATOM 0 HG23 THR A 178 -5.570 0.477 -3.106 1.00 0.00 H new ATOM 269 N VAL A 179 -1.326 2.536 -1.902 1.00 0.00 N ATOM 270 CA VAL A 179 -0.004 3.173 -1.735 1.00 0.00 C ATOM 271 C VAL A 179 0.847 2.455 -0.676 1.00 0.00 C ATOM 272 O VAL A 179 2.021 2.161 -0.905 1.00 0.00 O ATOM 273 CB VAL A 179 -0.193 4.670 -1.374 1.00 0.00 C ATOM 274 CG1 VAL A 179 1.139 5.368 -1.013 1.00 0.00 C ATOM 275 CG2 VAL A 179 -0.875 5.435 -2.530 1.00 0.00 C ATOM 0 H VAL A 179 -2.115 3.157 -1.722 1.00 0.00 H new ATOM 0 HA VAL A 179 0.536 3.096 -2.679 1.00 0.00 H new ATOM 0 HB VAL A 179 -0.832 4.692 -0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 179 0.948 6.413 -0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 179 1.589 4.871 -0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 179 1.821 5.312 -1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 179 -0.996 6.482 -2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 179 -0.258 5.366 -3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 179 -1.853 4.997 -2.729 1.00 0.00 H new ATOM 285 N VAL A 180 0.270 2.180 0.497 1.00 0.00 N ATOM 286 CA VAL A 180 0.981 1.433 1.552 1.00 0.00 C ATOM 287 C VAL A 180 1.491 0.085 1.022 1.00 0.00 C ATOM 288 O VAL A 180 2.677 -0.217 1.127 1.00 0.00 O ATOM 289 CB VAL A 180 0.044 1.238 2.774 1.00 0.00 C ATOM 290 CG1 VAL A 180 0.652 0.294 3.837 1.00 0.00 C ATOM 291 CG2 VAL A 180 -0.296 2.594 3.433 1.00 0.00 C ATOM 0 H VAL A 180 -0.680 2.458 0.744 1.00 0.00 H new ATOM 0 HA VAL A 180 1.852 2.008 1.867 1.00 0.00 H new ATOM 0 HB VAL A 180 -0.867 0.778 2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -0.042 0.190 4.671 1.00 0.00 H new ATOM 0 HG12 VAL A 180 0.834 -0.685 3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 180 1.593 0.710 4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -0.954 2.429 4.286 1.00 0.00 H new ATOM 0 HG22 VAL A 180 0.622 3.075 3.770 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -0.797 3.236 2.708 1.00 0.00 H new ATOM 301 N LEU A 181 0.608 -0.725 0.434 1.00 0.00 N ATOM 302 CA LEU A 181 0.981 -2.035 -0.135 1.00 0.00 C ATOM 303 C LEU A 181 2.173 -1.886 -1.092 1.00 0.00 C ATOM 304 O LEU A 181 3.185 -2.574 -0.960 1.00 0.00 O ATOM 305 CB LEU A 181 -0.259 -2.591 -0.881 1.00 0.00 C ATOM 306 CG LEU A 181 -0.223 -4.099 -1.237 1.00 0.00 C ATOM 307 CD1 LEU A 181 -1.591 -4.546 -1.793 1.00 0.00 C ATOM 308 CD2 LEU A 181 0.898 -4.484 -2.227 1.00 0.00 C ATOM 0 H LEU A 181 -0.382 -0.499 0.336 1.00 0.00 H new ATOM 0 HA LEU A 181 1.285 -2.722 0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 181 -1.140 -2.405 -0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 181 -0.387 -2.024 -1.803 1.00 0.00 H new ATOM 0 HG LEU A 181 -0.001 -4.622 -0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 181 -1.554 -5.607 -2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 181 -2.362 -4.374 -1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 181 -1.824 -3.973 -2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 181 0.856 -5.555 -2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 181 0.763 -3.937 -3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 181 1.867 -4.232 -1.795 1.00 0.00 H new ATOM 320 N TRP A 182 2.064 -0.960 -2.047 1.00 0.00 N ATOM 321 CA TRP A 182 3.140 -0.672 -3.011 1.00 0.00 C ATOM 322 C TRP A 182 4.497 -0.439 -2.331 1.00 0.00 C ATOM 323 O TRP A 182 5.473 -1.115 -2.651 1.00 0.00 O ATOM 324 CB TRP A 182 2.737 0.581 -3.823 1.00 0.00 C ATOM 325 CG TRP A 182 3.886 1.016 -4.738 1.00 0.00 C ATOM 326 CD1 TRP A 182 4.426 0.297 -5.817 1.00 0.00 C ATOM 327 CD2 TRP A 182 4.650 2.192 -4.647 1.00 0.00 C ATOM 328 NE1 TRP A 182 5.467 0.970 -6.376 1.00 0.00 N ATOM 329 CE2 TRP A 182 5.624 2.133 -5.677 1.00 0.00 C ATOM 330 CE3 TRP A 182 4.608 3.290 -3.785 1.00 0.00 C ATOM 331 CZ2 TRP A 182 6.533 3.184 -5.817 1.00 0.00 C ATOM 332 CZ3 TRP A 182 5.524 4.332 -3.938 1.00 0.00 C ATOM 333 CH2 TRP A 182 6.484 4.279 -4.952 1.00 0.00 C ATOM 0 H TRP A 182 1.230 -0.387 -2.178 1.00 0.00 H new ATOM 0 HA TRP A 182 3.262 -1.540 -3.659 1.00 0.00 H new ATOM 0 HB2 TRP A 182 1.850 0.366 -4.419 1.00 0.00 H new ATOM 0 HB3 TRP A 182 2.476 1.393 -3.145 1.00 0.00 H new ATOM 0 HD1 TRP A 182 4.063 -0.662 -6.157 1.00 0.00 H new ATOM 0 HE1 TRP A 182 6.027 0.663 -7.171 1.00 0.00 H new ATOM 0 HE3 TRP A 182 3.867 3.333 -3.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 182 7.278 3.150 -6.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 182 5.491 5.181 -3.271 1.00 0.00 H new ATOM 0 HH2 TRP A 182 7.190 5.088 -5.067 1.00 0.00 H new ATOM 344 N SER A 183 4.582 0.516 -1.400 1.00 0.00 N ATOM 345 CA SER A 183 5.860 0.810 -0.717 1.00 0.00 C ATOM 346 C SER A 183 6.384 -0.410 0.061 1.00 0.00 C ATOM 347 O SER A 183 7.576 -0.723 0.049 1.00 0.00 O ATOM 348 CB SER A 183 5.703 2.039 0.212 1.00 0.00 C ATOM 349 OG SER A 183 4.881 1.741 1.347 1.00 0.00 O ATOM 0 H SER A 183 3.798 1.095 -1.100 1.00 0.00 H new ATOM 0 HA SER A 183 6.602 1.045 -1.480 1.00 0.00 H new ATOM 0 HB2 SER A 183 6.686 2.368 0.550 1.00 0.00 H new ATOM 0 HB3 SER A 183 5.265 2.865 -0.348 1.00 0.00 H new ATOM 0 HG SER A 183 4.175 1.114 1.084 1.00 0.00 H new ATOM 355 N ALA A 184 5.482 -1.101 0.759 1.00 0.00 N ATOM 356 CA ALA A 184 5.812 -2.334 1.490 1.00 0.00 C ATOM 357 C ALA A 184 6.302 -3.463 0.573 1.00 0.00 C ATOM 358 O ALA A 184 7.046 -4.333 1.017 1.00 0.00 O ATOM 359 CB ALA A 184 4.558 -2.810 2.250 1.00 0.00 C ATOM 0 H ALA A 184 4.503 -0.826 0.836 1.00 0.00 H new ATOM 0 HA ALA A 184 6.628 -2.100 2.173 1.00 0.00 H new ATOM 0 HB1 ALA A 184 4.789 -3.724 2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 184 4.243 -2.038 2.951 1.00 0.00 H new ATOM 0 HB3 ALA A 184 3.754 -3.005 1.540 1.00 0.00 H new ATOM 365 N TYR A 185 5.911 -3.470 -0.705 1.00 0.00 N ATOM 366 CA TYR A 185 6.195 -4.608 -1.600 1.00 0.00 C ATOM 367 C TYR A 185 7.699 -4.923 -1.710 1.00 0.00 C ATOM 368 O TYR A 185 8.095 -6.062 -1.463 1.00 0.00 O ATOM 369 CB TYR A 185 5.587 -4.340 -2.997 1.00 0.00 C ATOM 370 CG TYR A 185 5.812 -5.445 -3.946 1.00 0.00 C ATOM 371 CD1 TYR A 185 5.250 -6.702 -3.705 1.00 0.00 C ATOM 372 CD2 TYR A 185 6.602 -5.242 -5.080 1.00 0.00 C ATOM 373 CE1 TYR A 185 5.481 -7.754 -4.594 1.00 0.00 C ATOM 374 CE2 TYR A 185 6.833 -6.294 -5.970 1.00 0.00 C ATOM 375 CZ TYR A 185 6.273 -7.551 -5.726 1.00 0.00 C ATOM 376 OH TYR A 185 6.501 -8.593 -6.601 1.00 0.00 O ATOM 0 H TYR A 185 5.399 -2.706 -1.146 1.00 0.00 H new ATOM 0 HA TYR A 185 5.729 -5.490 -1.161 1.00 0.00 H new ATOM 0 HB2 TYR A 185 4.515 -4.170 -2.894 1.00 0.00 H new ATOM 0 HB3 TYR A 185 6.017 -3.425 -3.405 1.00 0.00 H new ATOM 0 HD1 TYR A 185 4.636 -6.860 -2.830 1.00 0.00 H new ATOM 0 HD2 TYR A 185 7.035 -4.271 -5.269 1.00 0.00 H new ATOM 0 HE1 TYR A 185 5.047 -8.725 -4.406 1.00 0.00 H new ATOM 0 HE2 TYR A 185 7.444 -6.136 -6.846 1.00 0.00 H new ATOM 0 HH TYR A 185 7.071 -8.284 -7.336 1.00 0.00 H new ATOM 386 N PRO A 186 8.573 -3.969 -2.073 1.00 0.00 N ATOM 387 CA PRO A 186 10.028 -4.194 -2.127 1.00 0.00 C ATOM 388 C PRO A 186 10.615 -4.586 -0.765 1.00 0.00 C ATOM 389 O PRO A 186 11.541 -5.392 -0.697 1.00 0.00 O ATOM 390 CB PRO A 186 10.604 -2.861 -2.633 1.00 0.00 C ATOM 391 CG PRO A 186 9.553 -1.839 -2.229 1.00 0.00 C ATOM 392 CD PRO A 186 8.239 -2.592 -2.469 1.00 0.00 C ATOM 0 HA PRO A 186 10.280 -5.030 -2.779 1.00 0.00 H new ATOM 0 HB2 PRO A 186 11.570 -2.643 -2.178 1.00 0.00 H new ATOM 0 HB3 PRO A 186 10.756 -2.874 -3.712 1.00 0.00 H new ATOM 0 HG2 PRO A 186 9.662 -1.537 -1.187 1.00 0.00 H new ATOM 0 HG3 PRO A 186 9.616 -0.933 -2.832 1.00 0.00 H new ATOM 0 HD2 PRO A 186 7.425 -2.185 -1.869 1.00 0.00 H new ATOM 0 HD3 PRO A 186 7.926 -2.536 -3.512 1.00 0.00 H new ATOM 400 N VAL A 187 10.106 -4.007 0.328 1.00 0.00 N ATOM 401 CA VAL A 187 10.558 -4.388 1.682 1.00 0.00 C ATOM 402 C VAL A 187 10.326 -5.889 1.934 1.00 0.00 C ATOM 403 O VAL A 187 11.250 -6.631 2.269 1.00 0.00 O ATOM 404 CB VAL A 187 9.807 -3.545 2.747 1.00 0.00 C ATOM 405 CG1 VAL A 187 10.294 -3.861 4.179 1.00 0.00 C ATOM 406 CG2 VAL A 187 9.901 -2.029 2.463 1.00 0.00 C ATOM 0 H VAL A 187 9.390 -3.281 0.309 1.00 0.00 H new ATOM 0 HA VAL A 187 11.627 -4.190 1.758 1.00 0.00 H new ATOM 0 HB VAL A 187 8.757 -3.830 2.678 1.00 0.00 H new ATOM 0 HG11 VAL A 187 9.743 -3.250 4.894 1.00 0.00 H new ATOM 0 HG12 VAL A 187 10.124 -4.916 4.397 1.00 0.00 H new ATOM 0 HG13 VAL A 187 11.359 -3.641 4.258 1.00 0.00 H new ATOM 0 HG21 VAL A 187 9.361 -1.480 3.234 1.00 0.00 H new ATOM 0 HG22 VAL A 187 10.947 -1.723 2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 187 9.462 -1.813 1.489 1.00 0.00 H new ATOM 416 N VAL A 188 9.082 -6.341 1.762 1.00 0.00 N ATOM 417 CA VAL A 188 8.714 -7.760 1.924 1.00 0.00 C ATOM 418 C VAL A 188 9.561 -8.662 1.017 1.00 0.00 C ATOM 419 O VAL A 188 10.044 -9.708 1.450 1.00 0.00 O ATOM 420 CB VAL A 188 7.202 -7.938 1.622 1.00 0.00 C ATOM 421 CG1 VAL A 188 6.764 -9.421 1.642 1.00 0.00 C ATOM 422 CG2 VAL A 188 6.333 -7.133 2.615 1.00 0.00 C ATOM 0 H VAL A 188 8.299 -5.740 1.507 1.00 0.00 H new ATOM 0 HA VAL A 188 8.912 -8.058 2.953 1.00 0.00 H new ATOM 0 HB VAL A 188 7.049 -7.554 0.613 1.00 0.00 H new ATOM 0 HG11 VAL A 188 5.698 -9.489 1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 188 7.324 -9.976 0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 188 6.961 -9.845 2.626 1.00 0.00 H new ATOM 0 HG21 VAL A 188 5.279 -7.278 2.377 1.00 0.00 H new ATOM 0 HG22 VAL A 188 6.527 -7.478 3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 188 6.579 -6.074 2.539 1.00 0.00 H new ATOM 432 N TRP A 189 9.727 -8.279 -0.253 1.00 0.00 N ATOM 433 CA TRP A 189 10.614 -9.012 -1.175 1.00 0.00 C ATOM 434 C TRP A 189 12.007 -9.212 -0.565 1.00 0.00 C ATOM 435 O TRP A 189 12.452 -10.344 -0.393 1.00 0.00 O ATOM 436 CB TRP A 189 10.748 -8.227 -2.502 1.00 0.00 C ATOM 437 CG TRP A 189 11.752 -8.939 -3.414 1.00 0.00 C ATOM 438 CD1 TRP A 189 11.575 -10.166 -4.072 1.00 0.00 C ATOM 439 CD2 TRP A 189 13.074 -8.548 -3.696 1.00 0.00 C ATOM 440 NE1 TRP A 189 12.709 -10.537 -4.725 1.00 0.00 N ATOM 441 CE2 TRP A 189 13.642 -9.563 -4.509 1.00 0.00 C ATOM 442 CE3 TRP A 189 13.840 -7.445 -3.315 1.00 0.00 C ATOM 443 CZ2 TRP A 189 14.970 -9.440 -4.923 1.00 0.00 C ATOM 444 CZ3 TRP A 189 15.168 -7.339 -3.736 1.00 0.00 C ATOM 445 CH2 TRP A 189 15.730 -8.333 -4.539 1.00 0.00 C ATOM 0 H TRP A 189 9.264 -7.471 -0.669 1.00 0.00 H new ATOM 0 HA TRP A 189 10.173 -9.992 -1.361 1.00 0.00 H new ATOM 0 HB2 TRP A 189 9.778 -8.156 -2.995 1.00 0.00 H new ATOM 0 HB3 TRP A 189 11.080 -7.208 -2.303 1.00 0.00 H new ATOM 0 HD1 TRP A 189 10.660 -10.739 -4.061 1.00 0.00 H new ATOM 0 HE1 TRP A 189 12.839 -11.386 -5.275 1.00 0.00 H new ATOM 0 HE3 TRP A 189 13.406 -6.674 -2.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 189 15.412 -10.205 -5.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 189 15.761 -6.486 -3.440 1.00 0.00 H new ATOM 0 HH2 TRP A 189 16.756 -8.246 -4.864 1.00 0.00 H new ATOM 456 N LEU A 190 12.688 -8.114 -0.224 1.00 0.00 N ATOM 457 CA LEU A 190 14.048 -8.151 0.349 1.00 0.00 C ATOM 458 C LEU A 190 14.141 -9.135 1.520 1.00 0.00 C ATOM 459 O LEU A 190 15.069 -9.940 1.596 1.00 0.00 O ATOM 460 CB LEU A 190 14.419 -6.711 0.790 1.00 0.00 C ATOM 461 CG LEU A 190 15.852 -6.487 1.343 1.00 0.00 C ATOM 462 CD1 LEU A 190 16.044 -7.001 2.789 1.00 0.00 C ATOM 463 CD2 LEU A 190 16.927 -7.077 0.403 1.00 0.00 C ATOM 0 H LEU A 190 12.316 -7.171 -0.335 1.00 0.00 H new ATOM 0 HA LEU A 190 14.754 -8.505 -0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 190 14.279 -6.049 -0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 190 13.709 -6.398 1.555 1.00 0.00 H new ATOM 0 HG LEU A 190 15.982 -5.405 1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 190 17.068 -6.811 3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 190 15.354 -6.482 3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 190 15.845 -8.072 2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 190 17.916 -6.900 0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 190 16.766 -8.149 0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 190 16.858 -6.598 -0.574 1.00 0.00 H new ATOM 475 N ILE A 191 13.183 -9.075 2.448 1.00 0.00 N ATOM 476 CA ILE A 191 13.106 -10.069 3.536 1.00 0.00 C ATOM 477 C ILE A 191 13.106 -11.494 2.956 1.00 0.00 C ATOM 478 O ILE A 191 13.952 -12.319 3.304 1.00 0.00 O ATOM 479 CB ILE A 191 11.831 -9.811 4.382 1.00 0.00 C ATOM 480 CG1 ILE A 191 11.879 -8.408 5.039 1.00 0.00 C ATOM 481 CG2 ILE A 191 11.612 -10.918 5.441 1.00 0.00 C ATOM 482 CD1 ILE A 191 10.567 -8.012 5.749 1.00 0.00 C ATOM 0 H ILE A 191 12.456 -8.361 2.474 1.00 0.00 H new ATOM 0 HA ILE A 191 13.979 -9.971 4.182 1.00 0.00 H new ATOM 0 HB ILE A 191 10.977 -9.839 3.706 1.00 0.00 H new ATOM 0 HG12 ILE A 191 12.695 -8.382 5.761 1.00 0.00 H new ATOM 0 HG13 ILE A 191 12.107 -7.666 4.274 1.00 0.00 H new ATOM 0 HG21 ILE A 191 10.710 -10.701 6.013 1.00 0.00 H new ATOM 0 HG22 ILE A 191 11.503 -11.882 4.943 1.00 0.00 H new ATOM 0 HG23 ILE A 191 12.469 -10.952 6.114 1.00 0.00 H new ATOM 0 HD11 ILE A 191 10.675 -7.019 6.185 1.00 0.00 H new ATOM 0 HD12 ILE A 191 9.750 -8.005 5.027 1.00 0.00 H new ATOM 0 HD13 ILE A 191 10.348 -8.732 6.537 1.00 0.00 H new ATOM 494 N GLY A 192 12.166 -11.791 2.055 1.00 0.00 N ATOM 495 CA GLY A 192 12.117 -13.108 1.393 1.00 0.00 C ATOM 496 C GLY A 192 13.112 -13.248 0.230 1.00 0.00 C ATOM 497 O GLY A 192 12.853 -13.984 -0.723 1.00 0.00 O ATOM 0 H GLY A 192 11.431 -11.146 1.765 1.00 0.00 H new ATOM 0 HA2 GLY A 192 12.321 -13.884 2.131 1.00 0.00 H new ATOM 0 HA3 GLY A 192 11.108 -13.281 1.020 1.00 0.00 H new ATOM 667 N THR A 205 26.863 -2.035 -2.599 1.00 0.00 N ATOM 668 CA THR A 205 27.798 -1.880 -1.468 1.00 0.00 C ATOM 669 C THR A 205 29.231 -1.623 -1.954 1.00 0.00 C ATOM 670 O THR A 205 29.911 -0.721 -1.469 1.00 0.00 O ATOM 671 CB THR A 205 27.751 -3.157 -0.595 1.00 0.00 C ATOM 672 OG1 THR A 205 26.410 -3.373 -0.148 1.00 0.00 O ATOM 673 CG2 THR A 205 28.676 -3.087 0.639 1.00 0.00 C ATOM 0 HA THR A 205 27.492 -1.015 -0.879 1.00 0.00 H new ATOM 0 HB THR A 205 28.103 -3.978 -1.220 1.00 0.00 H new ATOM 0 HG1 THR A 205 25.784 -2.970 -0.785 1.00 0.00 H new ATOM 0 HG21 THR A 205 28.595 -4.014 1.207 1.00 0.00 H new ATOM 0 HG22 THR A 205 29.707 -2.950 0.313 1.00 0.00 H new ATOM 0 HG23 THR A 205 28.380 -2.248 1.269 1.00 0.00 H new ATOM 681 N LEU A 206 29.700 -2.427 -2.911 1.00 0.00 N ATOM 682 CA LEU A 206 31.030 -2.246 -3.520 1.00 0.00 C ATOM 683 C LEU A 206 31.179 -0.833 -4.095 1.00 0.00 C ATOM 684 O LEU A 206 32.112 -0.111 -3.746 1.00 0.00 O ATOM 685 CB LEU A 206 31.207 -3.322 -4.623 1.00 0.00 C ATOM 686 CG LEU A 206 32.591 -3.392 -5.324 1.00 0.00 C ATOM 687 CD1 LEU A 206 32.854 -2.223 -6.300 1.00 0.00 C ATOM 688 CD2 LEU A 206 33.741 -3.519 -4.302 1.00 0.00 C ATOM 0 H LEU A 206 29.177 -3.218 -3.287 1.00 0.00 H new ATOM 0 HA LEU A 206 31.806 -2.364 -2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 206 31.001 -4.297 -4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 206 30.448 -3.152 -5.387 1.00 0.00 H new ATOM 0 HG LEU A 206 32.561 -4.297 -5.930 1.00 0.00 H new ATOM 0 HD11 LEU A 206 33.839 -2.340 -6.751 1.00 0.00 H new ATOM 0 HD12 LEU A 206 32.095 -2.224 -7.082 1.00 0.00 H new ATOM 0 HD13 LEU A 206 32.814 -1.279 -5.756 1.00 0.00 H new ATOM 0 HD21 LEU A 206 34.693 -3.565 -4.830 1.00 0.00 H new ATOM 0 HD22 LEU A 206 33.735 -2.654 -3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 206 33.607 -4.427 -3.715 1.00 0.00 H new ATOM 700 N LEU A 207 30.257 -0.425 -4.972 1.00 0.00 N ATOM 701 CA LEU A 207 30.283 0.920 -5.583 1.00 0.00 C ATOM 702 C LEU A 207 30.436 2.013 -4.516 1.00 0.00 C ATOM 703 O LEU A 207 31.341 2.847 -4.581 1.00 0.00 O ATOM 704 CB LEU A 207 28.967 1.098 -6.388 1.00 0.00 C ATOM 705 CG LEU A 207 28.807 2.407 -7.206 1.00 0.00 C ATOM 706 CD1 LEU A 207 28.523 3.650 -6.333 1.00 0.00 C ATOM 707 CD2 LEU A 207 30.015 2.654 -8.136 1.00 0.00 C ATOM 0 H LEU A 207 29.477 -1.006 -5.280 1.00 0.00 H new ATOM 0 HA LEU A 207 31.143 1.014 -6.246 1.00 0.00 H new ATOM 0 HB2 LEU A 207 28.875 0.257 -7.075 1.00 0.00 H new ATOM 0 HB3 LEU A 207 28.132 1.032 -5.690 1.00 0.00 H new ATOM 0 HG LEU A 207 27.922 2.255 -7.824 1.00 0.00 H new ATOM 0 HD11 LEU A 207 28.423 4.528 -6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 207 27.599 3.500 -5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 207 29.347 3.801 -5.636 1.00 0.00 H new ATOM 0 HD21 LEU A 207 29.864 3.580 -8.691 1.00 0.00 H new ATOM 0 HD22 LEU A 207 30.924 2.733 -7.539 1.00 0.00 H new ATOM 0 HD23 LEU A 207 30.111 1.824 -8.835 1.00 0.00 H new ATOM 719 N PHE A 208 29.554 1.995 -3.515 1.00 0.00 N ATOM 720 CA PHE A 208 29.590 2.949 -2.393 1.00 0.00 C ATOM 721 C PHE A 208 30.978 2.980 -1.732 1.00 0.00 C ATOM 722 O PHE A 208 31.585 4.039 -1.590 1.00 0.00 O ATOM 723 CB PHE A 208 28.520 2.503 -1.364 1.00 0.00 C ATOM 724 CG PHE A 208 28.256 3.429 -0.242 1.00 0.00 C ATOM 725 CD1 PHE A 208 28.759 4.736 -0.225 1.00 0.00 C ATOM 726 CD2 PHE A 208 27.415 3.005 0.792 1.00 0.00 C ATOM 727 CE1 PHE A 208 28.426 5.604 0.818 1.00 0.00 C ATOM 728 CE2 PHE A 208 27.083 3.872 1.834 1.00 0.00 C ATOM 729 CZ PHE A 208 27.589 5.173 1.848 1.00 0.00 C ATOM 0 H PHE A 208 28.792 1.320 -3.455 1.00 0.00 H new ATOM 0 HA PHE A 208 29.383 3.955 -2.758 1.00 0.00 H new ATOM 0 HB2 PHE A 208 27.583 2.337 -1.896 1.00 0.00 H new ATOM 0 HB3 PHE A 208 28.826 1.543 -0.949 1.00 0.00 H new ATOM 0 HD1 PHE A 208 29.406 5.074 -1.021 1.00 0.00 H new ATOM 0 HD2 PHE A 208 27.020 2.000 0.784 1.00 0.00 H new ATOM 0 HE1 PHE A 208 28.817 6.611 0.827 1.00 0.00 H new ATOM 0 HE2 PHE A 208 26.434 3.536 2.630 1.00 0.00 H new ATOM 0 HZ PHE A 208 27.333 5.844 2.654 1.00 0.00 H new ATOM 739 N MET A 209 31.498 1.814 -1.342 1.00 0.00 N ATOM 740 CA MET A 209 32.828 1.704 -0.713 1.00 0.00 C ATOM 741 C MET A 209 33.929 2.369 -1.554 1.00 0.00 C ATOM 742 O MET A 209 34.750 3.118 -1.028 1.00 0.00 O ATOM 743 CB MET A 209 33.155 0.208 -0.504 1.00 0.00 C ATOM 744 CG MET A 209 34.492 -0.028 0.230 1.00 0.00 C ATOM 745 SD MET A 209 34.826 -1.791 0.468 1.00 0.00 S ATOM 746 CE MET A 209 36.410 -1.690 1.340 1.00 0.00 C ATOM 0 H MET A 209 31.017 0.921 -1.450 1.00 0.00 H new ATOM 0 HA MET A 209 32.798 2.229 0.242 1.00 0.00 H new ATOM 0 HB2 MET A 209 32.349 -0.257 0.064 1.00 0.00 H new ATOM 0 HB3 MET A 209 33.188 -0.288 -1.474 1.00 0.00 H new ATOM 0 HG2 MET A 209 35.304 0.422 -0.341 1.00 0.00 H new ATOM 0 HG3 MET A 209 34.468 0.471 1.199 1.00 0.00 H new ATOM 0 HE1 MET A 209 36.765 -2.695 1.567 1.00 0.00 H new ATOM 0 HE2 MET A 209 37.140 -1.181 0.711 1.00 0.00 H new ATOM 0 HE3 MET A 209 36.280 -1.133 2.268 1.00 0.00 H new ATOM 756 N VAL A 210 33.978 2.084 -2.858 1.00 0.00 N ATOM 757 CA VAL A 210 34.955 2.724 -3.763 1.00 0.00 C ATOM 758 C VAL A 210 34.888 4.255 -3.661 1.00 0.00 C ATOM 759 O VAL A 210 35.912 4.924 -3.507 1.00 0.00 O ATOM 760 CB VAL A 210 34.704 2.258 -5.223 1.00 0.00 C ATOM 761 CG1 VAL A 210 35.602 3.000 -6.239 1.00 0.00 C ATOM 762 CG2 VAL A 210 34.909 0.734 -5.367 1.00 0.00 C ATOM 0 H VAL A 210 33.357 1.417 -3.316 1.00 0.00 H new ATOM 0 HA VAL A 210 35.957 2.419 -3.461 1.00 0.00 H new ATOM 0 HB VAL A 210 33.666 2.503 -5.448 1.00 0.00 H new ATOM 0 HG11 VAL A 210 35.389 2.639 -7.245 1.00 0.00 H new ATOM 0 HG12 VAL A 210 35.402 4.070 -6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 210 36.650 2.815 -6.002 1.00 0.00 H new ATOM 0 HG21 VAL A 210 34.726 0.438 -6.400 1.00 0.00 H new ATOM 0 HG22 VAL A 210 35.932 0.477 -5.092 1.00 0.00 H new ATOM 0 HG23 VAL A 210 34.214 0.210 -4.711 1.00 0.00 H new ATOM 772 N LEU A 211 33.681 4.820 -3.755 1.00 0.00 N ATOM 773 CA LEU A 211 33.490 6.273 -3.575 1.00 0.00 C ATOM 774 C LEU A 211 34.080 6.750 -2.242 1.00 0.00 C ATOM 775 O LEU A 211 34.860 7.700 -2.198 1.00 0.00 O ATOM 776 CB LEU A 211 31.985 6.625 -3.623 1.00 0.00 C ATOM 777 CG LEU A 211 31.287 6.250 -4.951 1.00 0.00 C ATOM 778 CD1 LEU A 211 29.782 6.581 -4.891 1.00 0.00 C ATOM 779 CD2 LEU A 211 31.953 6.920 -6.172 1.00 0.00 C ATOM 0 H LEU A 211 32.824 4.303 -3.953 1.00 0.00 H new ATOM 0 HA LEU A 211 34.011 6.779 -4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 211 31.478 6.116 -2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 211 31.868 7.696 -3.454 1.00 0.00 H new ATOM 0 HG LEU A 211 31.400 5.174 -5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 211 29.312 6.309 -5.836 1.00 0.00 H new ATOM 0 HD12 LEU A 211 29.318 6.020 -4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 211 29.651 7.649 -4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 211 31.427 6.626 -7.080 1.00 0.00 H new ATOM 0 HD22 LEU A 211 31.909 8.003 -6.062 1.00 0.00 H new ATOM 0 HD23 LEU A 211 32.994 6.604 -6.237 1.00 0.00 H new ATOM 791 N ASP A 212 33.718 6.083 -1.144 1.00 0.00 N ATOM 792 CA ASP A 212 34.237 6.418 0.196 1.00 0.00 C ATOM 793 C ASP A 212 35.765 6.519 0.200 1.00 0.00 C ATOM 794 O ASP A 212 36.331 7.523 0.630 1.00 0.00 O ATOM 795 CB ASP A 212 33.800 5.328 1.211 1.00 0.00 C ATOM 796 CG ASP A 212 32.272 5.158 1.302 1.00 0.00 C ATOM 797 OD1 ASP A 212 31.527 6.023 0.842 1.00 0.00 O ATOM 798 OD2 ASP A 212 31.843 4.152 1.863 1.00 0.00 O ATOM 0 H ASP A 212 33.063 5.301 -1.151 1.00 0.00 H new ATOM 0 HA ASP A 212 33.827 7.388 0.479 1.00 0.00 H new ATOM 0 HB2 ASP A 212 34.248 4.376 0.927 1.00 0.00 H new ATOM 0 HB3 ASP A 212 34.190 5.582 2.197 1.00 0.00 H new ATOM 803 N VAL A 213 36.443 5.478 -0.287 1.00 0.00 N ATOM 804 CA VAL A 213 37.916 5.461 -0.369 1.00 0.00 C ATOM 805 C VAL A 213 38.461 6.678 -1.129 1.00 0.00 C ATOM 806 O VAL A 213 39.294 7.415 -0.602 1.00 0.00 O ATOM 807 CB VAL A 213 38.389 4.141 -1.035 1.00 0.00 C ATOM 808 CG1 VAL A 213 39.917 4.111 -1.267 1.00 0.00 C ATOM 809 CG2 VAL A 213 37.973 2.910 -0.199 1.00 0.00 C ATOM 0 H VAL A 213 35.998 4.628 -0.634 1.00 0.00 H new ATOM 0 HA VAL A 213 38.311 5.515 0.645 1.00 0.00 H new ATOM 0 HB VAL A 213 37.898 4.100 -2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 213 40.196 3.167 -1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 213 40.202 4.937 -1.919 1.00 0.00 H new ATOM 0 HG13 VAL A 213 40.432 4.208 -0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 213 38.319 2.002 -0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 213 38.419 2.977 0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 213 36.887 2.882 -0.108 1.00 0.00 H new ATOM 819 N SER A 214 37.996 6.912 -2.361 1.00 0.00 N ATOM 820 CA SER A 214 38.519 8.029 -3.175 1.00 0.00 C ATOM 821 C SER A 214 38.355 9.381 -2.460 1.00 0.00 C ATOM 822 O SER A 214 39.280 10.193 -2.420 1.00 0.00 O ATOM 823 CB SER A 214 37.859 8.047 -4.576 1.00 0.00 C ATOM 824 OG SER A 214 36.486 8.448 -4.514 1.00 0.00 O ATOM 0 H SER A 214 37.271 6.357 -2.816 1.00 0.00 H new ATOM 0 HA SER A 214 39.588 7.867 -3.309 1.00 0.00 H new ATOM 0 HB2 SER A 214 38.407 8.728 -5.227 1.00 0.00 H new ATOM 0 HB3 SER A 214 37.928 7.055 -5.023 1.00 0.00 H new ATOM 0 HG SER A 214 36.078 8.092 -3.697 1.00 0.00 H new ATOM 830 N ALA A 215 37.174 9.624 -1.884 1.00 0.00 N ATOM 831 CA ALA A 215 36.909 10.851 -1.110 1.00 0.00 C ATOM 832 C ALA A 215 37.903 11.027 0.045 1.00 0.00 C ATOM 833 O ALA A 215 38.484 12.097 0.218 1.00 0.00 O ATOM 834 CB ALA A 215 35.475 10.790 -0.546 1.00 0.00 C ATOM 0 H ALA A 215 36.379 8.987 -1.937 1.00 0.00 H new ATOM 0 HA ALA A 215 37.024 11.704 -1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 215 35.271 11.694 0.028 1.00 0.00 H new ATOM 0 HB2 ALA A 215 34.764 10.714 -1.368 1.00 0.00 H new ATOM 0 HB3 ALA A 215 35.375 9.919 0.102 1.00 0.00 H new ATOM 840 N LYS A 216 38.092 9.981 0.853 1.00 0.00 N ATOM 841 CA LYS A 216 39.053 10.001 1.974 1.00 0.00 C ATOM 842 C LYS A 216 40.467 10.390 1.522 1.00 0.00 C ATOM 843 O LYS A 216 41.109 11.245 2.132 1.00 0.00 O ATOM 844 CB LYS A 216 39.069 8.601 2.628 1.00 0.00 C ATOM 845 CG LYS A 216 37.712 8.251 3.280 1.00 0.00 C ATOM 846 CD LYS A 216 37.506 6.734 3.464 1.00 0.00 C ATOM 847 CE LYS A 216 36.083 6.408 3.962 1.00 0.00 C ATOM 848 NZ LYS A 216 35.847 4.959 3.888 1.00 0.00 N ATOM 0 H LYS A 216 37.590 9.099 0.755 1.00 0.00 H new ATOM 0 HA LYS A 216 38.734 10.758 2.690 1.00 0.00 H new ATOM 0 HB2 LYS A 216 39.313 7.852 1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 216 39.855 8.562 3.383 1.00 0.00 H new ATOM 0 HG2 LYS A 216 37.644 8.742 4.251 1.00 0.00 H new ATOM 0 HG3 LYS A 216 36.906 8.650 2.664 1.00 0.00 H new ATOM 0 HD2 LYS A 216 37.686 6.225 2.517 1.00 0.00 H new ATOM 0 HD3 LYS A 216 38.237 6.351 4.176 1.00 0.00 H new ATOM 0 HE2 LYS A 216 35.959 6.753 4.988 1.00 0.00 H new ATOM 0 HE3 LYS A 216 35.346 6.937 3.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 216 34.886 4.746 4.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 216 35.947 4.641 2.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 216 36.541 4.463 4.484 1.00 0.00 H new ATOM 862 N VAL A 217 40.968 9.759 0.456 1.00 0.00 N ATOM 863 CA VAL A 217 42.283 10.116 -0.114 1.00 0.00 C ATOM 864 C VAL A 217 42.349 11.611 -0.463 1.00 0.00 C ATOM 865 O VAL A 217 43.274 12.314 -0.053 1.00 0.00 O ATOM 866 CB VAL A 217 42.567 9.248 -1.370 1.00 0.00 C ATOM 867 CG1 VAL A 217 43.881 9.653 -2.077 1.00 0.00 C ATOM 868 CG2 VAL A 217 42.610 7.745 -1.018 1.00 0.00 C ATOM 0 H VAL A 217 40.490 9.001 -0.032 1.00 0.00 H new ATOM 0 HA VAL A 217 43.049 9.917 0.635 1.00 0.00 H new ATOM 0 HB VAL A 217 41.742 9.429 -2.058 1.00 0.00 H new ATOM 0 HG11 VAL A 217 44.036 9.018 -2.949 1.00 0.00 H new ATOM 0 HG12 VAL A 217 43.818 10.694 -2.393 1.00 0.00 H new ATOM 0 HG13 VAL A 217 44.717 9.533 -1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 217 42.811 7.166 -1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 217 43.399 7.565 -0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 217 41.651 7.442 -0.598 1.00 0.00 H new ATOM 878 N GLY A 218 41.367 12.106 -1.221 1.00 0.00 N ATOM 879 CA GLY A 218 41.296 13.535 -1.584 1.00 0.00 C ATOM 880 C GLY A 218 41.383 14.446 -0.354 1.00 0.00 C ATOM 881 O GLY A 218 42.183 15.379 -0.312 1.00 0.00 O ATOM 0 H GLY A 218 40.606 11.542 -1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 218 42.108 13.775 -2.271 1.00 0.00 H new ATOM 0 HA3 GLY A 218 40.363 13.729 -2.113 1.00 0.00 H new ATOM 885 N PHE A 219 40.552 14.176 0.656 1.00 0.00 N ATOM 886 CA PHE A 219 40.564 14.929 1.924 1.00 0.00 C ATOM 887 C PHE A 219 41.972 14.980 2.531 1.00 0.00 C ATOM 888 O PHE A 219 42.452 16.045 2.914 1.00 0.00 O ATOM 889 CB PHE A 219 39.567 14.264 2.906 1.00 0.00 C ATOM 890 CG PHE A 219 39.409 14.977 4.189 1.00 0.00 C ATOM 891 CD1 PHE A 219 40.447 14.992 5.128 1.00 0.00 C ATOM 892 CD2 PHE A 219 38.238 15.697 4.443 1.00 0.00 C ATOM 893 CE1 PHE A 219 40.317 15.729 6.307 1.00 0.00 C ATOM 894 CE2 PHE A 219 38.107 16.432 5.623 1.00 0.00 C ATOM 895 CZ PHE A 219 39.147 16.449 6.555 1.00 0.00 C ATOM 0 H PHE A 219 39.853 13.434 0.624 1.00 0.00 H new ATOM 0 HA PHE A 219 40.262 15.958 1.731 1.00 0.00 H new ATOM 0 HB2 PHE A 219 38.593 14.191 2.422 1.00 0.00 H new ATOM 0 HB3 PHE A 219 39.899 13.246 3.108 1.00 0.00 H new ATOM 0 HD1 PHE A 219 41.351 14.432 4.940 1.00 0.00 H new ATOM 0 HD2 PHE A 219 37.432 15.685 3.724 1.00 0.00 H new ATOM 0 HE1 PHE A 219 41.122 15.742 7.027 1.00 0.00 H new ATOM 0 HE2 PHE A 219 37.201 16.988 5.815 1.00 0.00 H new ATOM 0 HZ PHE A 219 39.046 17.019 7.467 1.00 0.00 H new ATOM 905 N GLY A 220 42.636 13.826 2.640 1.00 0.00 N ATOM 906 CA GLY A 220 44.022 13.763 3.142 1.00 0.00 C ATOM 907 C GLY A 220 44.946 14.734 2.398 1.00 0.00 C ATOM 908 O GLY A 220 45.635 15.548 3.012 1.00 0.00 O ATOM 0 H GLY A 220 42.241 12.920 2.389 1.00 0.00 H new ATOM 0 HA2 GLY A 220 44.033 13.996 4.207 1.00 0.00 H new ATOM 0 HA3 GLY A 220 44.401 12.747 3.034 1.00 0.00 H new ATOM 912 N LEU A 221 44.957 14.658 1.065 1.00 0.00 N ATOM 913 CA LEU A 221 45.774 15.563 0.231 1.00 0.00 C ATOM 914 C LEU A 221 45.504 17.039 0.553 1.00 0.00 C ATOM 915 O LEU A 221 46.430 17.819 0.775 1.00 0.00 O ATOM 916 CB LEU A 221 45.472 15.302 -1.263 1.00 0.00 C ATOM 917 CG LEU A 221 45.804 13.862 -1.725 1.00 0.00 C ATOM 918 CD1 LEU A 221 45.361 13.634 -3.185 1.00 0.00 C ATOM 919 CD2 LEU A 221 47.300 13.525 -1.545 1.00 0.00 C ATOM 0 H LEU A 221 44.411 13.980 0.533 1.00 0.00 H new ATOM 0 HA LEU A 221 46.822 15.358 0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 221 44.417 15.500 -1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 221 46.041 16.008 -1.868 1.00 0.00 H new ATOM 0 HG LEU A 221 45.241 13.183 -1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 221 45.606 12.615 -3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 221 44.285 13.788 -3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 221 45.879 14.338 -3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 221 47.486 12.505 -1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 221 47.902 14.217 -2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 221 47.569 13.614 -0.492 1.00 0.00 H new ATOM 931 N ILE A 222 44.227 17.431 0.570 1.00 0.00 N ATOM 932 CA ILE A 222 43.823 18.805 0.927 1.00 0.00 C ATOM 933 C ILE A 222 44.410 19.227 2.281 1.00 0.00 C ATOM 934 O ILE A 222 45.025 20.284 2.392 1.00 0.00 O ATOM 935 CB ILE A 222 42.273 18.893 0.951 1.00 0.00 C ATOM 936 CG1 ILE A 222 41.681 18.607 -0.451 1.00 0.00 C ATOM 937 CG2 ILE A 222 41.777 20.257 1.489 1.00 0.00 C ATOM 938 CD1 ILE A 222 40.148 18.435 -0.445 1.00 0.00 C ATOM 0 H ILE A 222 43.446 16.816 0.340 1.00 0.00 H new ATOM 0 HA ILE A 222 44.215 19.491 0.176 1.00 0.00 H new ATOM 0 HB ILE A 222 41.918 18.125 1.639 1.00 0.00 H new ATOM 0 HG12 ILE A 222 41.945 19.424 -1.122 1.00 0.00 H new ATOM 0 HG13 ILE A 222 42.139 17.703 -0.853 1.00 0.00 H new ATOM 0 HG21 ILE A 222 40.687 20.274 1.488 1.00 0.00 H new ATOM 0 HG22 ILE A 222 42.141 20.401 2.506 1.00 0.00 H new ATOM 0 HG23 ILE A 222 42.153 21.058 0.852 1.00 0.00 H new ATOM 0 HD11 ILE A 222 39.800 18.237 -1.459 1.00 0.00 H new ATOM 0 HD12 ILE A 222 39.878 17.599 0.201 1.00 0.00 H new ATOM 0 HD13 ILE A 222 39.681 19.347 -0.073 1.00 0.00 H new ATOM 950 N LEU A 223 44.223 18.407 3.317 1.00 0.00 N ATOM 951 CA LEU A 223 44.750 18.694 4.665 1.00 0.00 C ATOM 952 C LEU A 223 46.263 18.963 4.654 1.00 0.00 C ATOM 953 O LEU A 223 46.730 19.952 5.219 1.00 0.00 O ATOM 954 CB LEU A 223 44.426 17.493 5.586 1.00 0.00 C ATOM 955 CG LEU A 223 44.879 17.673 7.055 1.00 0.00 C ATOM 956 CD1 LEU A 223 44.211 18.894 7.724 1.00 0.00 C ATOM 957 CD2 LEU A 223 44.622 16.388 7.870 1.00 0.00 C ATOM 0 H LEU A 223 43.707 17.530 3.253 1.00 0.00 H new ATOM 0 HA LEU A 223 44.273 19.601 5.036 1.00 0.00 H new ATOM 0 HB2 LEU A 223 43.350 17.318 5.569 1.00 0.00 H new ATOM 0 HB3 LEU A 223 44.901 16.600 5.179 1.00 0.00 H new ATOM 0 HG LEU A 223 45.952 17.863 7.040 1.00 0.00 H new ATOM 0 HD11 LEU A 223 44.559 18.980 8.753 1.00 0.00 H new ATOM 0 HD12 LEU A 223 44.473 19.798 7.175 1.00 0.00 H new ATOM 0 HD13 LEU A 223 43.129 18.766 7.716 1.00 0.00 H new ATOM 0 HD21 LEU A 223 44.948 16.538 8.899 1.00 0.00 H new ATOM 0 HD22 LEU A 223 43.557 16.156 7.857 1.00 0.00 H new ATOM 0 HD23 LEU A 223 45.179 15.561 7.430 1.00 0.00 H new