USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 472 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 148 MET CE :methyl 144:sc= -0.16 (180deg=-0.88) USER MOD Set 1.2: A 152 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 147 ASN : amide:sc= -1.55! K(o=-1.6!,f=0.71) USER MOD Set 2.2: A 151 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.16) USER MOD Single : A 140 LYS NZ :NH3+ -166:sc= -0.0479 (180deg=-0.258) USER MOD Single : A 142 LYS NZ :NH3+ -165:sc= -6.81! (180deg=-7.19!) USER MOD Single : A 143 GLN : amide:sc= -2.64! K(o=-2.6!,f=-0.056) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 161 LYS NZ :NH3+ -165:sc= -0.0672 (180deg=-0.343) USER MOD Single : A 165 THR OG1 : rot 69:sc= 0.0923 USER MOD Single : A 167 GLN : amide:sc= -1.97! K(o=-2!,f=-0.78) USER MOD Single : A 168 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 169 MET CE :methyl 172:sc= -2.72! (180deg=-3.46!) USER MOD Single : A 171 GLN : amide:sc= -4.7! K(o=-4.7!,f=-1.1) USER MOD Single : A 173 SER OG : rot -31:sc= 1.07 USER MOD Single : A 174 LYS NZ :NH3+ 147:sc= -0.0892 (180deg=-1.55!) USER MOD Single : A 175 THR OG1 : rot 72:sc= 0.0028 USER MOD Single : A 176 LYS NZ :NH3+ 172:sc= 0.0872 (180deg=0.0138) USER MOD Single : A 182 MET CE :methyl -151:sc= -0.466 (180deg=-1.86!) USER MOD Single : A 183 GLN : amide:sc= -2.76! K(o=-2.8!,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 111 N ARG A 127 14.749 6.445 -1.083 1.00 0.00 N ATOM 112 CA ARG A 127 14.087 5.150 -1.201 1.00 0.00 C ATOM 113 C ARG A 127 13.339 4.809 0.085 1.00 0.00 C ATOM 114 O ARG A 127 12.212 4.317 0.048 1.00 0.00 O ATOM 115 CB ARG A 127 15.115 4.059 -1.514 1.00 0.00 C ATOM 116 CG ARG A 127 14.512 2.671 -1.682 1.00 0.00 C ATOM 117 CD ARG A 127 13.581 2.602 -2.880 1.00 0.00 C ATOM 118 NE ARG A 127 13.053 1.255 -3.085 1.00 0.00 N ATOM 119 CZ ARG A 127 12.234 0.924 -4.079 1.00 0.00 C ATOM 120 NH1 ARG A 127 11.845 1.840 -4.957 1.00 0.00 N ATOM 121 NH2 ARG A 127 11.803 -0.325 -4.196 1.00 0.00 N ATOM 0 HA ARG A 127 13.366 5.205 -2.017 1.00 0.00 H new ATOM 0 HB2 ARG A 127 15.647 4.326 -2.427 1.00 0.00 H new ATOM 0 HB3 ARG A 127 15.853 4.029 -0.713 1.00 0.00 H new ATOM 0 HG2 ARG A 127 15.311 1.939 -1.800 1.00 0.00 H new ATOM 0 HG3 ARG A 127 13.964 2.401 -0.779 1.00 0.00 H new ATOM 0 HD2 ARG A 127 12.754 3.298 -2.737 1.00 0.00 H new ATOM 0 HD3 ARG A 127 14.116 2.922 -3.774 1.00 0.00 H new ATOM 0 HE ARG A 127 13.329 0.526 -2.427 1.00 0.00 H new ATOM 0 HH11 ARG A 127 12.174 2.802 -4.871 1.00 0.00 H new ATOM 0 HH12 ARG A 127 11.217 1.582 -5.718 1.00 0.00 H new ATOM 0 HH21 ARG A 127 12.100 -1.032 -3.523 1.00 0.00 H new ATOM 0 HH22 ARG A 127 11.175 -0.578 -4.959 1.00 0.00 H new ATOM 135 N VAL A 128 13.979 5.074 1.221 1.00 0.00 N ATOM 136 CA VAL A 128 13.381 4.798 2.524 1.00 0.00 C ATOM 137 C VAL A 128 12.049 5.522 2.688 1.00 0.00 C ATOM 138 O VAL A 128 11.033 4.906 3.009 1.00 0.00 O ATOM 139 CB VAL A 128 14.325 5.222 3.667 1.00 0.00 C ATOM 140 CG1 VAL A 128 13.653 5.035 5.019 1.00 0.00 C ATOM 141 CG2 VAL A 128 15.629 4.443 3.597 1.00 0.00 C ATOM 0 H VAL A 128 14.914 5.480 1.265 1.00 0.00 H new ATOM 0 HA VAL A 128 13.211 3.722 2.574 1.00 0.00 H new ATOM 0 HB VAL A 128 14.554 6.281 3.549 1.00 0.00 H new ATOM 0 HG11 VAL A 128 14.337 5.340 5.811 1.00 0.00 H new ATOM 0 HG12 VAL A 128 12.751 5.645 5.064 1.00 0.00 H new ATOM 0 HG13 VAL A 128 13.389 3.986 5.152 1.00 0.00 H new ATOM 0 HG21 VAL A 128 16.283 4.755 4.411 1.00 0.00 H new ATOM 0 HG22 VAL A 128 15.421 3.377 3.687 1.00 0.00 H new ATOM 0 HG23 VAL A 128 16.119 4.638 2.643 1.00 0.00 H new ATOM 151 N ALA A 129 12.065 6.831 2.467 1.00 0.00 N ATOM 152 CA ALA A 129 10.863 7.643 2.591 1.00 0.00 C ATOM 153 C ALA A 129 9.817 7.234 1.563 1.00 0.00 C ATOM 154 O ALA A 129 8.619 7.241 1.847 1.00 0.00 O ATOM 155 CB ALA A 129 11.208 9.116 2.448 1.00 0.00 C ATOM 0 H ALA A 129 12.900 7.353 2.200 1.00 0.00 H new ATOM 0 HA ALA A 129 10.439 7.477 3.581 1.00 0.00 H new ATOM 0 HB1 ALA A 129 10.301 9.713 2.543 1.00 0.00 H new ATOM 0 HB2 ALA A 129 11.914 9.402 3.228 1.00 0.00 H new ATOM 0 HB3 ALA A 129 11.657 9.291 1.471 1.00 0.00 H new ATOM 161 N GLY A 130 10.277 6.877 0.368 1.00 0.00 N ATOM 162 CA GLY A 130 9.369 6.465 -0.686 1.00 0.00 C ATOM 163 C GLY A 130 8.547 5.252 -0.297 1.00 0.00 C ATOM 164 O GLY A 130 7.343 5.203 -0.541 1.00 0.00 O ATOM 0 H GLY A 130 11.264 6.866 0.111 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.701 7.291 -0.930 1.00 0.00 H new ATOM 0 HA3 GLY A 130 9.940 6.240 -1.587 1.00 0.00 H new ATOM 168 N LEU A 131 9.199 4.267 0.311 1.00 0.00 N ATOM 169 CA LEU A 131 8.521 3.049 0.736 1.00 0.00 C ATOM 170 C LEU A 131 7.533 3.343 1.861 1.00 0.00 C ATOM 171 O LEU A 131 6.423 2.810 1.883 1.00 0.00 O ATOM 172 CB LEU A 131 9.539 2.006 1.202 1.00 0.00 C ATOM 173 CG LEU A 131 10.616 1.642 0.177 1.00 0.00 C ATOM 174 CD1 LEU A 131 11.593 0.637 0.766 1.00 0.00 C ATOM 175 CD2 LEU A 131 9.983 1.091 -1.093 1.00 0.00 C ATOM 0 H LEU A 131 10.197 4.289 0.520 1.00 0.00 H new ATOM 0 HA LEU A 131 7.971 2.654 -0.118 1.00 0.00 H new ATOM 0 HB2 LEU A 131 10.028 2.376 2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 131 9.004 1.098 1.480 1.00 0.00 H new ATOM 0 HG LEU A 131 11.166 2.547 -0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 131 12.352 0.389 0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 131 12.072 1.068 1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 131 11.056 -0.268 1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 131 10.765 0.838 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 131 9.407 0.197 -0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 131 9.323 1.843 -1.526 1.00 0.00 H new ATOM 187 N GLU A 132 7.951 4.189 2.798 1.00 0.00 N ATOM 188 CA GLU A 132 7.112 4.552 3.936 1.00 0.00 C ATOM 189 C GLU A 132 5.846 5.280 3.491 1.00 0.00 C ATOM 190 O GLU A 132 4.743 4.928 3.910 1.00 0.00 O ATOM 191 CB GLU A 132 7.898 5.426 4.916 1.00 0.00 C ATOM 192 CG GLU A 132 9.131 4.745 5.494 1.00 0.00 C ATOM 193 CD GLU A 132 8.793 3.526 6.334 1.00 0.00 C ATOM 194 OE1 GLU A 132 8.224 2.560 5.783 1.00 0.00 O ATOM 195 OE2 GLU A 132 9.099 3.538 7.545 1.00 0.00 O ATOM 0 H GLU A 132 8.867 4.637 2.792 1.00 0.00 H new ATOM 0 HA GLU A 132 6.813 3.629 4.433 1.00 0.00 H new ATOM 0 HB2 GLU A 132 8.204 6.340 4.408 1.00 0.00 H new ATOM 0 HB3 GLU A 132 7.240 5.721 5.734 1.00 0.00 H new ATOM 0 HG2 GLU A 132 9.791 4.447 4.679 1.00 0.00 H new ATOM 0 HG3 GLU A 132 9.682 5.460 6.105 1.00 0.00 H new ATOM 202 N LYS A 133 6.006 6.298 2.648 1.00 0.00 N ATOM 203 CA LYS A 133 4.863 7.069 2.165 1.00 0.00 C ATOM 204 C LYS A 133 3.873 6.172 1.428 1.00 0.00 C ATOM 205 O LYS A 133 2.661 6.302 1.601 1.00 0.00 O ATOM 206 CB LYS A 133 5.319 8.215 1.255 1.00 0.00 C ATOM 207 CG LYS A 133 6.065 7.758 0.012 1.00 0.00 C ATOM 208 CD LYS A 133 6.454 8.933 -0.873 1.00 0.00 C ATOM 209 CE LYS A 133 5.231 9.663 -1.410 1.00 0.00 C ATOM 210 NZ LYS A 133 5.606 10.819 -2.271 1.00 0.00 N ATOM 0 H LYS A 133 6.909 6.606 2.288 1.00 0.00 H new ATOM 0 HA LYS A 133 4.362 7.497 3.033 1.00 0.00 H new ATOM 0 HB2 LYS A 133 4.446 8.793 0.951 1.00 0.00 H new ATOM 0 HB3 LYS A 133 5.962 8.885 1.826 1.00 0.00 H new ATOM 0 HG2 LYS A 133 6.961 7.211 0.306 1.00 0.00 H new ATOM 0 HG3 LYS A 133 5.441 7.067 -0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 133 7.072 9.628 -0.304 1.00 0.00 H new ATOM 0 HD3 LYS A 133 7.060 8.576 -1.706 1.00 0.00 H new ATOM 0 HE2 LYS A 133 4.616 8.968 -1.983 1.00 0.00 H new ATOM 0 HE3 LYS A 133 4.623 10.014 -0.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 4.745 11.289 -2.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 6.171 11.495 -1.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 6.165 10.482 -3.081 1.00 0.00 H new ATOM 224 N GLN A 134 4.393 5.257 0.615 1.00 0.00 N ATOM 225 CA GLN A 134 3.550 4.333 -0.138 1.00 0.00 C ATOM 226 C GLN A 134 2.678 3.508 0.800 1.00 0.00 C ATOM 227 O GLN A 134 1.502 3.273 0.527 1.00 0.00 O ATOM 228 CB GLN A 134 4.412 3.404 -0.997 1.00 0.00 C ATOM 229 CG GLN A 134 5.092 4.108 -2.159 1.00 0.00 C ATOM 230 CD GLN A 134 4.102 4.744 -3.116 1.00 0.00 C ATOM 231 OE1 GLN A 134 3.261 4.063 -3.702 1.00 0.00 O ATOM 232 NE2 GLN A 134 4.199 6.059 -3.280 1.00 0.00 N ATOM 0 H GLN A 134 5.394 5.135 0.461 1.00 0.00 H new ATOM 0 HA GLN A 134 2.902 4.921 -0.788 1.00 0.00 H new ATOM 0 HB2 GLN A 134 5.173 2.942 -0.367 1.00 0.00 H new ATOM 0 HB3 GLN A 134 3.788 2.599 -1.385 1.00 0.00 H new ATOM 0 HG2 GLN A 134 5.762 4.876 -1.772 1.00 0.00 H new ATOM 0 HG3 GLN A 134 5.708 3.392 -2.703 1.00 0.00 H new ATOM 0 HE21 GLN A 134 4.912 6.585 -2.774 1.00 0.00 H new ATOM 0 HE22 GLN A 134 3.561 6.543 -3.912 1.00 0.00 H new ATOM 241 N LEU A 135 3.271 3.068 1.904 1.00 0.00 N ATOM 242 CA LEU A 135 2.561 2.262 2.891 1.00 0.00 C ATOM 243 C LEU A 135 1.364 3.027 3.450 1.00 0.00 C ATOM 244 O LEU A 135 0.273 2.476 3.600 1.00 0.00 O ATOM 245 CB LEU A 135 3.526 1.867 4.018 1.00 0.00 C ATOM 246 CG LEU A 135 3.092 0.687 4.901 1.00 0.00 C ATOM 247 CD1 LEU A 135 1.866 1.038 5.726 1.00 0.00 C ATOM 248 CD2 LEU A 135 2.828 -0.547 4.051 1.00 0.00 C ATOM 0 H LEU A 135 4.246 3.257 2.139 1.00 0.00 H new ATOM 0 HA LEU A 135 2.185 1.359 2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.491 1.625 3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 135 3.679 2.736 4.658 1.00 0.00 H new ATOM 0 HG LEU A 135 3.907 0.467 5.590 1.00 0.00 H new ATOM 0 HD11 LEU A 135 1.584 0.183 6.340 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.092 1.888 6.370 1.00 0.00 H new ATOM 0 HD13 LEU A 135 1.041 1.295 5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 135 2.522 -1.373 4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 135 2.036 -0.332 3.334 1.00 0.00 H new ATOM 0 HD23 LEU A 135 3.737 -0.822 3.516 1.00 0.00 H new ATOM 260 N ALA A 136 1.585 4.297 3.758 1.00 0.00 N ATOM 261 CA ALA A 136 0.538 5.152 4.311 1.00 0.00 C ATOM 262 C ALA A 136 -0.569 5.430 3.295 1.00 0.00 C ATOM 263 O ALA A 136 -1.753 5.335 3.617 1.00 0.00 O ATOM 264 CB ALA A 136 1.137 6.461 4.805 1.00 0.00 C ATOM 0 H ALA A 136 2.484 4.762 3.634 1.00 0.00 H new ATOM 0 HA ALA A 136 0.088 4.620 5.149 1.00 0.00 H new ATOM 0 HB1 ALA A 136 0.347 7.091 5.215 1.00 0.00 H new ATOM 0 HB2 ALA A 136 1.875 6.254 5.580 1.00 0.00 H new ATOM 0 HB3 ALA A 136 1.618 6.977 3.974 1.00 0.00 H new ATOM 270 N ILE A 137 -0.179 5.787 2.074 1.00 0.00 N ATOM 271 CA ILE A 137 -1.144 6.092 1.020 1.00 0.00 C ATOM 272 C ILE A 137 -2.068 4.909 0.747 1.00 0.00 C ATOM 273 O ILE A 137 -3.285 5.073 0.650 1.00 0.00 O ATOM 274 CB ILE A 137 -0.437 6.492 -0.292 1.00 0.00 C ATOM 275 CG1 ILE A 137 0.444 7.724 -0.064 1.00 0.00 C ATOM 276 CG2 ILE A 137 -1.462 6.758 -1.388 1.00 0.00 C ATOM 277 CD1 ILE A 137 1.226 8.148 -1.289 1.00 0.00 C ATOM 0 H ILE A 137 0.797 5.872 1.790 1.00 0.00 H new ATOM 0 HA ILE A 137 -1.739 6.933 1.377 1.00 0.00 H new ATOM 0 HB ILE A 137 0.200 5.667 -0.613 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -0.184 8.554 0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 137 1.141 7.516 0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -0.947 7.039 -2.307 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -2.050 5.857 -1.562 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -2.122 7.568 -1.080 1.00 0.00 H new ATOM 0 HD11 ILE A 137 1.826 9.026 -1.051 1.00 0.00 H new ATOM 0 HD12 ILE A 137 1.881 7.335 -1.602 1.00 0.00 H new ATOM 0 HD13 ILE A 137 0.535 8.389 -2.097 1.00 0.00 H new ATOM 289 N GLU A 138 -1.488 3.720 0.625 1.00 0.00 N ATOM 290 CA GLU A 138 -2.271 2.518 0.363 1.00 0.00 C ATOM 291 C GLU A 138 -3.287 2.282 1.473 1.00 0.00 C ATOM 292 O GLU A 138 -4.453 1.996 1.204 1.00 0.00 O ATOM 293 CB GLU A 138 -1.355 1.303 0.215 1.00 0.00 C ATOM 294 CG GLU A 138 -0.452 1.375 -1.005 1.00 0.00 C ATOM 295 CD GLU A 138 0.404 0.137 -1.173 1.00 0.00 C ATOM 296 OE1 GLU A 138 0.305 -0.772 -0.321 1.00 0.00 O ATOM 297 OE2 GLU A 138 1.173 0.074 -2.153 1.00 0.00 O ATOM 0 H GLU A 138 -0.483 3.563 0.703 1.00 0.00 H new ATOM 0 HA GLU A 138 -2.812 2.663 -0.572 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -0.739 1.210 1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -1.965 0.402 0.154 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -1.063 1.513 -1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 138 0.193 2.250 -0.923 1.00 0.00 H new ATOM 304 N LEU A 139 -2.845 2.416 2.720 1.00 0.00 N ATOM 305 CA LEU A 139 -3.731 2.230 3.862 1.00 0.00 C ATOM 306 C LEU A 139 -4.853 3.260 3.835 1.00 0.00 C ATOM 307 O LEU A 139 -5.975 2.979 4.252 1.00 0.00 O ATOM 308 CB LEU A 139 -2.958 2.332 5.178 1.00 0.00 C ATOM 309 CG LEU A 139 -1.929 1.226 5.423 1.00 0.00 C ATOM 310 CD1 LEU A 139 -1.275 1.400 6.783 1.00 0.00 C ATOM 311 CD2 LEU A 139 -2.579 -0.148 5.318 1.00 0.00 C ATOM 0 H LEU A 139 -1.883 2.652 2.964 1.00 0.00 H new ATOM 0 HA LEU A 139 -4.163 1.232 3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -2.446 3.294 5.205 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.673 2.328 6.001 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.159 1.300 4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -0.546 0.605 6.941 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.772 2.366 6.824 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -2.036 1.354 7.562 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.830 -0.919 5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -3.371 -0.234 6.062 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -3.002 -0.275 4.321 1.00 0.00 H new ATOM 323 N LYS A 140 -4.541 4.454 3.343 1.00 0.00 N ATOM 324 CA LYS A 140 -5.524 5.527 3.257 1.00 0.00 C ATOM 325 C LYS A 140 -6.715 5.100 2.406 1.00 0.00 C ATOM 326 O LYS A 140 -7.869 5.266 2.803 1.00 0.00 O ATOM 327 CB LYS A 140 -4.883 6.784 2.662 1.00 0.00 C ATOM 328 CG LYS A 140 -5.815 7.985 2.618 1.00 0.00 C ATOM 329 CD LYS A 140 -6.195 8.443 4.016 1.00 0.00 C ATOM 330 CE LYS A 140 -7.131 9.641 3.977 1.00 0.00 C ATOM 331 NZ LYS A 140 -6.522 10.801 3.270 1.00 0.00 N ATOM 0 H LYS A 140 -3.614 4.703 2.997 1.00 0.00 H new ATOM 0 HA LYS A 140 -5.878 5.748 4.264 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -4.000 7.042 3.247 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -4.542 6.563 1.651 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -5.332 8.803 2.084 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -6.716 7.728 2.060 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -6.675 7.623 4.550 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -5.294 8.702 4.572 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -8.059 9.360 3.480 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -7.390 9.932 4.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -7.078 11.658 3.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -5.546 10.937 3.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -6.516 10.619 2.246 1.00 0.00 H new ATOM 345 N VAL A 141 -6.424 4.545 1.233 1.00 0.00 N ATOM 346 CA VAL A 141 -7.466 4.086 0.319 1.00 0.00 C ATOM 347 C VAL A 141 -8.152 2.830 0.851 1.00 0.00 C ATOM 348 O VAL A 141 -9.372 2.699 0.774 1.00 0.00 O ATOM 349 CB VAL A 141 -6.894 3.796 -1.082 1.00 0.00 C ATOM 350 CG1 VAL A 141 -7.995 3.346 -2.031 1.00 0.00 C ATOM 351 CG2 VAL A 141 -6.175 5.021 -1.628 1.00 0.00 C ATOM 0 H VAL A 141 -5.473 4.402 0.892 1.00 0.00 H new ATOM 0 HA VAL A 141 -8.199 4.889 0.244 1.00 0.00 H new ATOM 0 HB VAL A 141 -6.171 2.985 -0.997 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -7.569 3.147 -3.014 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -8.459 2.438 -1.646 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -8.747 4.131 -2.114 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -5.777 4.798 -2.618 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -6.875 5.853 -1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -5.356 5.290 -0.960 1.00 0.00 H new ATOM 361 N LYS A 142 -7.355 1.910 1.384 1.00 0.00 N ATOM 362 CA LYS A 142 -7.876 0.659 1.926 1.00 0.00 C ATOM 363 C LYS A 142 -8.884 0.919 3.042 1.00 0.00 C ATOM 364 O LYS A 142 -9.989 0.376 3.030 1.00 0.00 O ATOM 365 CB LYS A 142 -6.726 -0.209 2.442 1.00 0.00 C ATOM 366 CG LYS A 142 -7.183 -1.494 3.112 1.00 0.00 C ATOM 367 CD LYS A 142 -6.003 -2.381 3.484 1.00 0.00 C ATOM 368 CE LYS A 142 -5.310 -2.934 2.251 1.00 0.00 C ATOM 369 NZ LYS A 142 -4.207 -3.867 2.612 1.00 0.00 N ATOM 0 H LYS A 142 -6.342 2.007 1.453 1.00 0.00 H new ATOM 0 HA LYS A 142 -8.391 0.130 1.124 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -6.069 -0.458 1.609 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.136 0.370 3.152 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -7.756 -1.254 4.008 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -7.850 -2.037 2.443 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -5.290 -1.809 4.077 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -6.349 -3.205 4.108 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -6.037 -3.454 1.627 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -4.911 -2.111 1.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -3.601 -4.025 1.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -3.641 -3.454 3.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -4.608 -4.774 2.926 1.00 0.00 H new ATOM 383 N GLN A 143 -8.501 1.756 4.001 1.00 0.00 N ATOM 384 CA GLN A 143 -9.364 2.093 5.113 1.00 0.00 C ATOM 385 C GLN A 143 -10.624 2.792 4.622 1.00 0.00 C ATOM 386 O GLN A 143 -11.730 2.497 5.080 1.00 0.00 O ATOM 387 CB GLN A 143 -8.605 2.988 6.084 1.00 0.00 C ATOM 388 CG GLN A 143 -7.458 2.285 6.791 1.00 0.00 C ATOM 389 CD GLN A 143 -6.695 3.207 7.721 1.00 0.00 C ATOM 390 OE1 GLN A 143 -7.262 3.773 8.656 1.00 0.00 O ATOM 391 NE2 GLN A 143 -5.401 3.363 7.469 1.00 0.00 N ATOM 0 H GLN A 143 -7.590 2.213 4.024 1.00 0.00 H new ATOM 0 HA GLN A 143 -9.664 1.178 5.623 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -8.213 3.848 5.541 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -9.300 3.372 6.831 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -7.849 1.442 7.361 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -6.773 1.877 6.048 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -4.972 2.874 6.683 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -4.836 3.971 8.061 1.00 0.00 H new ATOM 400 N GLY A 144 -10.450 3.715 3.680 1.00 0.00 N ATOM 401 CA GLY A 144 -11.581 4.436 3.130 1.00 0.00 C ATOM 402 C GLY A 144 -12.581 3.510 2.471 1.00 0.00 C ATOM 403 O GLY A 144 -13.790 3.712 2.580 1.00 0.00 O ATOM 0 H GLY A 144 -9.545 3.975 3.289 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -12.075 4.996 3.925 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -11.226 5.164 2.400 1.00 0.00 H new ATOM 407 N ALA A 145 -12.073 2.483 1.795 1.00 0.00 N ATOM 408 CA ALA A 145 -12.925 1.510 1.124 1.00 0.00 C ATOM 409 C ALA A 145 -13.707 0.699 2.144 1.00 0.00 C ATOM 410 O ALA A 145 -14.893 0.422 1.959 1.00 0.00 O ATOM 411 CB ALA A 145 -12.092 0.596 0.236 1.00 0.00 C ATOM 0 H ALA A 145 -11.073 2.304 1.698 1.00 0.00 H new ATOM 0 HA ALA A 145 -13.635 2.046 0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -12.744 -0.125 -0.258 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -11.575 1.192 -0.516 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -11.360 0.065 0.845 1.00 0.00 H new ATOM 417 N GLU A 146 -13.033 0.328 3.229 1.00 0.00 N ATOM 418 CA GLU A 146 -13.662 -0.445 4.294 1.00 0.00 C ATOM 419 C GLU A 146 -14.850 0.315 4.866 1.00 0.00 C ATOM 420 O GLU A 146 -15.922 -0.253 5.074 1.00 0.00 O ATOM 421 CB GLU A 146 -12.654 -0.752 5.403 1.00 0.00 C ATOM 422 CG GLU A 146 -11.480 -1.601 4.942 1.00 0.00 C ATOM 423 CD GLU A 146 -10.486 -1.883 6.054 1.00 0.00 C ATOM 424 OE1 GLU A 146 -10.713 -1.413 7.189 1.00 0.00 O ATOM 425 OE2 GLU A 146 -9.480 -2.574 5.788 1.00 0.00 O ATOM 0 H GLU A 146 -12.051 0.551 3.393 1.00 0.00 H new ATOM 0 HA GLU A 146 -14.014 -1.387 3.873 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -12.276 0.186 5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -13.166 -1.267 6.216 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -11.854 -2.546 4.547 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -10.969 -1.093 4.124 1.00 0.00 H new ATOM 432 N ASN A 147 -14.654 1.607 5.103 1.00 0.00 N ATOM 433 CA ASN A 147 -15.710 2.453 5.633 1.00 0.00 C ATOM 434 C ASN A 147 -16.887 2.478 4.664 1.00 0.00 C ATOM 435 O ASN A 147 -18.046 2.440 5.074 1.00 0.00 O ATOM 436 CB ASN A 147 -15.188 3.873 5.868 1.00 0.00 C ATOM 437 CG ASN A 147 -16.191 4.768 6.579 1.00 0.00 C ATOM 438 OD1 ASN A 147 -15.956 5.965 6.744 1.00 0.00 O ATOM 439 ND2 ASN A 147 -17.309 4.195 7.017 1.00 0.00 N ATOM 0 H ASN A 147 -13.771 2.090 4.935 1.00 0.00 H new ATOM 0 HA ASN A 147 -16.043 2.045 6.587 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -14.272 3.824 6.457 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -14.926 4.321 4.909 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -18.008 4.751 7.509 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -17.467 3.200 6.861 1.00 0.00 H new ATOM 446 N MET A 148 -16.574 2.530 3.372 1.00 0.00 N ATOM 447 CA MET A 148 -17.596 2.548 2.333 1.00 0.00 C ATOM 448 C MET A 148 -18.387 1.243 2.332 1.00 0.00 C ATOM 449 O MET A 148 -19.592 1.242 2.103 1.00 0.00 O ATOM 450 CB MET A 148 -16.959 2.778 0.960 1.00 0.00 C ATOM 451 CG MET A 148 -16.265 4.124 0.829 1.00 0.00 C ATOM 452 SD MET A 148 -15.519 4.368 -0.795 1.00 0.00 S ATOM 453 CE MET A 148 -16.958 4.252 -1.855 1.00 0.00 C ATOM 0 H MET A 148 -15.617 2.560 3.020 1.00 0.00 H new ATOM 0 HA MET A 148 -18.281 3.369 2.544 1.00 0.00 H new ATOM 0 HB2 MET A 148 -16.236 1.986 0.767 1.00 0.00 H new ATOM 0 HB3 MET A 148 -17.730 2.700 0.193 1.00 0.00 H new ATOM 0 HG2 MET A 148 -16.986 4.920 1.016 1.00 0.00 H new ATOM 0 HG3 MET A 148 -15.494 4.206 1.595 1.00 0.00 H new ATOM 0 HE1 MET A 148 -16.855 4.949 -2.686 1.00 0.00 H new ATOM 0 HE2 MET A 148 -17.044 3.237 -2.242 1.00 0.00 H new ATOM 0 HE3 MET A 148 -17.852 4.499 -1.283 1.00 0.00 H new ATOM 463 N ILE A 149 -17.703 0.133 2.587 1.00 0.00 N ATOM 464 CA ILE A 149 -18.353 -1.173 2.613 1.00 0.00 C ATOM 465 C ILE A 149 -19.369 -1.257 3.749 1.00 0.00 C ATOM 466 O ILE A 149 -20.491 -1.725 3.558 1.00 0.00 O ATOM 467 CB ILE A 149 -17.325 -2.314 2.767 1.00 0.00 C ATOM 468 CG1 ILE A 149 -16.338 -2.301 1.597 1.00 0.00 C ATOM 469 CG2 ILE A 149 -18.034 -3.659 2.857 1.00 0.00 C ATOM 470 CD1 ILE A 149 -15.253 -3.353 1.700 1.00 0.00 C ATOM 0 H ILE A 149 -16.701 0.111 2.778 1.00 0.00 H new ATOM 0 HA ILE A 149 -18.868 -1.289 1.659 1.00 0.00 H new ATOM 0 HB ILE A 149 -16.767 -2.159 3.690 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -16.888 -2.450 0.668 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -15.873 -1.317 1.537 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -17.295 -4.453 2.965 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -18.700 -3.662 3.720 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -18.615 -3.825 1.950 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -14.593 -3.281 0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -14.676 -3.193 2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -15.708 -4.343 1.728 1.00 0.00 H new ATOM 482 N GLN A 150 -18.966 -0.803 4.932 1.00 0.00 N ATOM 483 CA GLN A 150 -19.837 -0.830 6.103 1.00 0.00 C ATOM 484 C GLN A 150 -20.984 0.169 5.966 1.00 0.00 C ATOM 485 O GLN A 150 -22.126 -0.131 6.313 1.00 0.00 O ATOM 486 CB GLN A 150 -19.032 -0.530 7.368 1.00 0.00 C ATOM 487 CG GLN A 150 -17.955 -1.562 7.655 1.00 0.00 C ATOM 488 CD GLN A 150 -17.161 -1.241 8.904 1.00 0.00 C ATOM 489 OE1 GLN A 150 -17.711 -1.165 10.002 1.00 0.00 O ATOM 490 NE2 GLN A 150 -15.859 -1.048 8.740 1.00 0.00 N ATOM 0 H GLN A 150 -18.040 -0.411 5.105 1.00 0.00 H new ATOM 0 HA GLN A 150 -20.265 -1.830 6.177 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -18.568 0.451 7.270 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -19.711 -0.478 8.219 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -18.417 -2.543 7.764 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -17.278 -1.622 6.803 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -15.446 -1.121 7.810 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -15.271 -0.826 9.544 1.00 0.00 H new ATOM 499 N THR A 151 -20.668 1.360 5.471 1.00 0.00 N ATOM 500 CA THR A 151 -21.669 2.408 5.297 1.00 0.00 C ATOM 501 C THR A 151 -22.676 2.050 4.206 1.00 0.00 C ATOM 502 O THR A 151 -23.885 2.166 4.402 1.00 0.00 O ATOM 503 CB THR A 151 -21.006 3.754 4.949 1.00 0.00 C ATOM 504 OG1 THR A 151 -20.100 4.138 5.990 1.00 0.00 O ATOM 505 CG2 THR A 151 -22.053 4.844 4.756 1.00 0.00 C ATOM 0 H THR A 151 -19.726 1.625 5.183 1.00 0.00 H new ATOM 0 HA THR A 151 -22.197 2.499 6.246 1.00 0.00 H new ATOM 0 HB THR A 151 -20.458 3.630 4.015 1.00 0.00 H new ATOM 0 HG1 THR A 151 -19.681 4.994 5.760 1.00 0.00 H new ATOM 0 HG21 THR A 151 -21.559 5.784 4.511 1.00 0.00 H new ATOM 0 HG22 THR A 151 -22.724 4.564 3.944 1.00 0.00 H new ATOM 0 HG23 THR A 151 -22.627 4.964 5.675 1.00 0.00 H new ATOM 513 N TYR A 152 -22.167 1.624 3.053 1.00 0.00 N ATOM 514 CA TYR A 152 -23.019 1.257 1.924 1.00 0.00 C ATOM 515 C TYR A 152 -23.689 -0.101 2.140 1.00 0.00 C ATOM 516 O TYR A 152 -24.115 -0.748 1.183 1.00 0.00 O ATOM 517 CB TYR A 152 -22.199 1.225 0.626 1.00 0.00 C ATOM 518 CG TYR A 152 -21.693 2.579 0.160 1.00 0.00 C ATOM 519 CD1 TYR A 152 -21.204 3.520 1.060 1.00 0.00 C ATOM 520 CD2 TYR A 152 -21.700 2.911 -1.191 1.00 0.00 C ATOM 521 CE1 TYR A 152 -20.740 4.748 0.628 1.00 0.00 C ATOM 522 CE2 TYR A 152 -21.236 4.137 -1.628 1.00 0.00 C ATOM 523 CZ TYR A 152 -20.757 5.051 -0.715 1.00 0.00 C ATOM 524 OH TYR A 152 -20.296 6.273 -1.148 1.00 0.00 O ATOM 0 H TYR A 152 -21.168 1.524 2.875 1.00 0.00 H new ATOM 0 HA TYR A 152 -23.800 2.013 1.845 1.00 0.00 H new ATOM 0 HB2 TYR A 152 -21.345 0.563 0.768 1.00 0.00 H new ATOM 0 HB3 TYR A 152 -22.812 0.790 -0.164 1.00 0.00 H new ATOM 0 HD1 TYR A 152 -21.187 3.287 2.114 1.00 0.00 H new ATOM 0 HD2 TYR A 152 -22.075 2.198 -1.911 1.00 0.00 H new ATOM 0 HE1 TYR A 152 -20.365 5.467 1.341 1.00 0.00 H new ATOM 0 HE2 TYR A 152 -21.249 4.378 -2.681 1.00 0.00 H new ATOM 0 HH TYR A 152 -20.376 6.326 -2.123 1.00 0.00 H new ATOM 649 N LYS A 161 -24.926 -0.844 -6.663 1.00 0.00 N ATOM 650 CA LYS A 161 -23.799 -0.662 -7.573 1.00 0.00 C ATOM 651 C LYS A 161 -22.630 0.018 -6.871 1.00 0.00 C ATOM 652 O LYS A 161 -21.480 -0.398 -7.017 1.00 0.00 O ATOM 653 CB LYS A 161 -24.228 0.159 -8.790 1.00 0.00 C ATOM 654 CG LYS A 161 -25.278 -0.529 -9.649 1.00 0.00 C ATOM 655 CD LYS A 161 -25.672 0.323 -10.846 1.00 0.00 C ATOM 656 CE LYS A 161 -26.375 1.602 -10.419 1.00 0.00 C ATOM 657 NZ LYS A 161 -27.629 1.320 -9.667 1.00 0.00 N ATOM 0 HA LYS A 161 -23.471 -1.648 -7.904 1.00 0.00 H new ATOM 0 HB2 LYS A 161 -24.619 1.118 -8.451 1.00 0.00 H new ATOM 0 HB3 LYS A 161 -23.351 0.371 -9.402 1.00 0.00 H new ATOM 0 HG2 LYS A 161 -24.893 -1.488 -9.996 1.00 0.00 H new ATOM 0 HG3 LYS A 161 -26.161 -0.739 -9.046 1.00 0.00 H new ATOM 0 HD2 LYS A 161 -24.782 0.572 -11.424 1.00 0.00 H new ATOM 0 HD3 LYS A 161 -26.327 -0.251 -11.501 1.00 0.00 H new ATOM 0 HE2 LYS A 161 -25.704 2.195 -9.797 1.00 0.00 H new ATOM 0 HE3 LYS A 161 -26.606 2.201 -11.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 -28.204 2.185 -9.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 -28.167 0.576 -10.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 -27.393 1.002 -8.705 1.00 0.00 H new ATOM 671 N LEU A 162 -22.930 1.060 -6.103 1.00 0.00 N ATOM 672 CA LEU A 162 -21.899 1.789 -5.374 1.00 0.00 C ATOM 673 C LEU A 162 -21.195 0.871 -4.381 1.00 0.00 C ATOM 674 O LEU A 162 -19.976 0.938 -4.214 1.00 0.00 O ATOM 675 CB LEU A 162 -22.508 2.988 -4.644 1.00 0.00 C ATOM 676 CG LEU A 162 -23.174 4.029 -5.547 1.00 0.00 C ATOM 677 CD1 LEU A 162 -23.768 5.155 -4.715 1.00 0.00 C ATOM 678 CD2 LEU A 162 -22.175 4.581 -6.554 1.00 0.00 C ATOM 0 H LEU A 162 -23.876 1.418 -5.970 1.00 0.00 H new ATOM 0 HA LEU A 162 -21.164 2.153 -6.092 1.00 0.00 H new ATOM 0 HB2 LEU A 162 -23.247 2.622 -3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 162 -21.724 3.479 -4.067 1.00 0.00 H new ATOM 0 HG LEU A 162 -23.981 3.542 -6.094 1.00 0.00 H new ATOM 0 HD11 LEU A 162 -24.237 5.886 -5.374 1.00 0.00 H new ATOM 0 HD12 LEU A 162 -24.515 4.749 -4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 162 -22.978 5.639 -4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 162 -22.667 5.320 -7.187 1.00 0.00 H new ATOM 0 HD22 LEU A 162 -21.347 5.051 -6.024 1.00 0.00 H new ATOM 0 HD23 LEU A 162 -21.795 3.768 -7.173 1.00 0.00 H new ATOM 690 N LEU A 163 -21.971 0.010 -3.728 1.00 0.00 N ATOM 691 CA LEU A 163 -21.426 -0.930 -2.755 1.00 0.00 C ATOM 692 C LEU A 163 -20.378 -1.829 -3.404 1.00 0.00 C ATOM 693 O LEU A 163 -19.300 -2.045 -2.849 1.00 0.00 O ATOM 694 CB LEU A 163 -22.549 -1.783 -2.157 1.00 0.00 C ATOM 695 CG LEU A 163 -22.099 -2.833 -1.137 1.00 0.00 C ATOM 696 CD1 LEU A 163 -21.479 -2.167 0.081 1.00 0.00 C ATOM 697 CD2 LEU A 163 -23.271 -3.714 -0.727 1.00 0.00 C ATOM 0 H LEU A 163 -22.981 -0.055 -3.856 1.00 0.00 H new ATOM 0 HA LEU A 163 -20.949 -0.360 -1.958 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -23.271 -1.121 -1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -23.071 -2.289 -2.969 1.00 0.00 H new ATOM 0 HG LEU A 163 -21.342 -3.462 -1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -21.166 -2.930 0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -20.613 -1.581 -0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -22.213 -1.512 0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -22.933 -4.454 -0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -24.051 -3.097 -0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -23.669 -4.222 -1.605 1.00 0.00 H new ATOM 709 N LEU A 164 -20.703 -2.346 -4.586 1.00 0.00 N ATOM 710 CA LEU A 164 -19.792 -3.217 -5.317 1.00 0.00 C ATOM 711 C LEU A 164 -18.483 -2.494 -5.615 1.00 0.00 C ATOM 712 O LEU A 164 -17.404 -3.076 -5.510 1.00 0.00 O ATOM 713 CB LEU A 164 -20.439 -3.691 -6.621 1.00 0.00 C ATOM 714 CG LEU A 164 -21.743 -4.477 -6.453 1.00 0.00 C ATOM 715 CD1 LEU A 164 -22.320 -4.848 -7.811 1.00 0.00 C ATOM 716 CD2 LEU A 164 -21.513 -5.727 -5.614 1.00 0.00 C ATOM 0 H LEU A 164 -21.592 -2.176 -5.057 1.00 0.00 H new ATOM 0 HA LEU A 164 -19.576 -4.086 -4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 164 -20.636 -2.821 -7.248 1.00 0.00 H new ATOM 0 HB3 LEU A 164 -19.724 -4.315 -7.157 1.00 0.00 H new ATOM 0 HG LEU A 164 -22.460 -3.842 -5.933 1.00 0.00 H new ATOM 0 HD11 LEU A 164 -23.246 -5.406 -7.673 1.00 0.00 H new ATOM 0 HD12 LEU A 164 -22.524 -3.941 -8.380 1.00 0.00 H new ATOM 0 HD13 LEU A 164 -21.603 -5.463 -8.355 1.00 0.00 H new ATOM 0 HD21 LEU A 164 -22.451 -6.271 -5.507 1.00 0.00 H new ATOM 0 HD22 LEU A 164 -20.778 -6.365 -6.105 1.00 0.00 H new ATOM 0 HD23 LEU A 164 -21.145 -5.441 -4.629 1.00 0.00 H new ATOM 728 N THR A 165 -18.590 -1.220 -5.983 1.00 0.00 N ATOM 729 CA THR A 165 -17.417 -0.409 -6.291 1.00 0.00 C ATOM 730 C THR A 165 -16.462 -0.368 -5.104 1.00 0.00 C ATOM 731 O THR A 165 -15.247 -0.490 -5.268 1.00 0.00 O ATOM 732 CB THR A 165 -17.812 1.031 -6.671 1.00 0.00 C ATOM 733 OG1 THR A 165 -18.701 1.014 -7.794 1.00 0.00 O ATOM 734 CG2 THR A 165 -16.583 1.861 -7.008 1.00 0.00 C ATOM 0 H THR A 165 -19.478 -0.727 -6.075 1.00 0.00 H new ATOM 0 HA THR A 165 -16.920 -0.874 -7.143 1.00 0.00 H new ATOM 0 HB THR A 165 -18.313 1.483 -5.815 1.00 0.00 H new ATOM 0 HG1 THR A 165 -19.564 0.637 -7.523 1.00 0.00 H new ATOM 0 HG21 THR A 165 -16.889 2.873 -7.273 1.00 0.00 H new ATOM 0 HG22 THR A 165 -15.920 1.897 -6.144 1.00 0.00 H new ATOM 0 HG23 THR A 165 -16.058 1.409 -7.849 1.00 0.00 H new ATOM 742 N ALA A 166 -17.020 -0.203 -3.908 1.00 0.00 N ATOM 743 CA ALA A 166 -16.219 -0.153 -2.691 1.00 0.00 C ATOM 744 C ALA A 166 -15.445 -1.451 -2.503 1.00 0.00 C ATOM 745 O ALA A 166 -14.270 -1.436 -2.134 1.00 0.00 O ATOM 746 CB ALA A 166 -17.107 0.115 -1.484 1.00 0.00 C ATOM 0 H ALA A 166 -18.024 -0.102 -3.757 1.00 0.00 H new ATOM 0 HA ALA A 166 -15.502 0.663 -2.785 1.00 0.00 H new ATOM 0 HB1 ALA A 166 -16.495 0.150 -0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 166 -17.618 1.069 -1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 166 -17.845 -0.682 -1.391 1.00 0.00 H new ATOM 752 N GLN A 167 -16.109 -2.573 -2.767 1.00 0.00 N ATOM 753 CA GLN A 167 -15.480 -3.880 -2.638 1.00 0.00 C ATOM 754 C GLN A 167 -14.241 -3.960 -3.520 1.00 0.00 C ATOM 755 O GLN A 167 -13.196 -4.458 -3.099 1.00 0.00 O ATOM 756 CB GLN A 167 -16.464 -4.989 -3.009 1.00 0.00 C ATOM 757 CG GLN A 167 -17.677 -5.053 -2.097 1.00 0.00 C ATOM 758 CD GLN A 167 -18.621 -6.179 -2.462 1.00 0.00 C ATOM 759 OE1 GLN A 167 -18.245 -7.351 -2.441 1.00 0.00 O ATOM 760 NE2 GLN A 167 -19.854 -5.829 -2.802 1.00 0.00 N ATOM 0 H GLN A 167 -17.082 -2.601 -3.071 1.00 0.00 H new ATOM 0 HA GLN A 167 -15.181 -4.016 -1.599 1.00 0.00 H new ATOM 0 HB2 GLN A 167 -16.799 -4.839 -4.035 1.00 0.00 H new ATOM 0 HB3 GLN A 167 -15.946 -5.948 -2.980 1.00 0.00 H new ATOM 0 HG2 GLN A 167 -17.346 -5.181 -1.066 1.00 0.00 H new ATOM 0 HG3 GLN A 167 -18.213 -4.105 -2.144 1.00 0.00 H new ATOM 0 HE21 GLN A 167 -20.122 -4.845 -2.805 1.00 0.00 H new ATOM 0 HE22 GLN A 167 -20.534 -6.544 -3.060 1.00 0.00 H new ATOM 769 N GLN A 168 -14.363 -3.452 -4.743 1.00 0.00 N ATOM 770 CA GLN A 168 -13.251 -3.449 -5.685 1.00 0.00 C ATOM 771 C GLN A 168 -12.083 -2.653 -5.115 1.00 0.00 C ATOM 772 O GLN A 168 -10.926 -3.050 -5.241 1.00 0.00 O ATOM 773 CB GLN A 168 -13.687 -2.855 -7.027 1.00 0.00 C ATOM 774 CG GLN A 168 -12.590 -2.850 -8.079 1.00 0.00 C ATOM 775 CD GLN A 168 -13.048 -2.252 -9.395 1.00 0.00 C ATOM 776 OE1 GLN A 168 -13.988 -2.743 -10.020 1.00 0.00 O ATOM 777 NE2 GLN A 168 -12.383 -1.185 -9.825 1.00 0.00 N ATOM 0 H GLN A 168 -15.222 -3.037 -5.104 1.00 0.00 H new ATOM 0 HA GLN A 168 -12.932 -4.478 -5.848 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -14.538 -3.421 -7.405 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -14.030 -1.833 -6.867 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -11.736 -2.286 -7.705 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -12.248 -3.871 -8.247 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -11.610 -0.810 -9.275 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -12.646 -0.741 -10.705 1.00 0.00 H new ATOM 786 N MET A 169 -12.399 -1.530 -4.476 1.00 0.00 N ATOM 787 CA MET A 169 -11.382 -0.679 -3.874 1.00 0.00 C ATOM 788 C MET A 169 -10.608 -1.435 -2.801 1.00 0.00 C ATOM 789 O MET A 169 -9.404 -1.238 -2.632 1.00 0.00 O ATOM 790 CB MET A 169 -12.028 0.573 -3.271 1.00 0.00 C ATOM 791 CG MET A 169 -12.642 1.510 -4.300 1.00 0.00 C ATOM 792 SD MET A 169 -11.481 2.754 -4.911 1.00 0.00 S ATOM 793 CE MET A 169 -10.170 1.730 -5.571 1.00 0.00 C ATOM 0 H MET A 169 -13.354 -1.189 -4.363 1.00 0.00 H new ATOM 0 HA MET A 169 -10.684 -0.378 -4.655 1.00 0.00 H new ATOM 0 HB2 MET A 169 -12.801 0.267 -2.567 1.00 0.00 H new ATOM 0 HB3 MET A 169 -11.276 1.119 -2.701 1.00 0.00 H new ATOM 0 HG2 MET A 169 -13.012 0.924 -5.141 1.00 0.00 H new ATOM 0 HG3 MET A 169 -13.503 2.012 -3.858 1.00 0.00 H new ATOM 0 HE1 MET A 169 -9.455 2.355 -6.106 1.00 0.00 H new ATOM 0 HE2 MET A 169 -9.663 1.217 -4.754 1.00 0.00 H new ATOM 0 HE3 MET A 169 -10.593 0.994 -6.255 1.00 0.00 H new ATOM 803 N LEU A 170 -11.314 -2.288 -2.070 1.00 0.00 N ATOM 804 CA LEU A 170 -10.707 -3.069 -0.997 1.00 0.00 C ATOM 805 C LEU A 170 -9.746 -4.129 -1.542 1.00 0.00 C ATOM 806 O LEU A 170 -8.644 -4.297 -1.022 1.00 0.00 O ATOM 807 CB LEU A 170 -11.805 -3.724 -0.143 1.00 0.00 C ATOM 808 CG LEU A 170 -11.351 -4.322 1.199 1.00 0.00 C ATOM 809 CD1 LEU A 170 -10.519 -5.580 0.993 1.00 0.00 C ATOM 810 CD2 LEU A 170 -10.571 -3.294 2.007 1.00 0.00 C ATOM 0 H LEU A 170 -12.311 -2.458 -2.200 1.00 0.00 H new ATOM 0 HA LEU A 170 -10.123 -2.391 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 170 -12.575 -2.979 0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 170 -12.271 -4.515 -0.731 1.00 0.00 H new ATOM 0 HG LEU A 170 -12.245 -4.600 1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 170 -10.214 -5.977 1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 170 -11.113 -6.326 0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 170 -9.634 -5.338 0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 170 -10.258 -3.736 2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 170 -9.691 -2.981 1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 170 -11.204 -2.428 2.202 1.00 0.00 H new ATOM 822 N GLN A 171 -10.168 -4.858 -2.572 1.00 0.00 N ATOM 823 CA GLN A 171 -9.329 -5.911 -3.145 1.00 0.00 C ATOM 824 C GLN A 171 -8.055 -5.350 -3.778 1.00 0.00 C ATOM 825 O GLN A 171 -6.966 -5.884 -3.560 1.00 0.00 O ATOM 826 CB GLN A 171 -10.113 -6.740 -4.168 1.00 0.00 C ATOM 827 CG GLN A 171 -10.641 -5.940 -5.346 1.00 0.00 C ATOM 828 CD GLN A 171 -11.342 -6.809 -6.372 1.00 0.00 C ATOM 829 OE1 GLN A 171 -10.736 -7.705 -6.959 1.00 0.00 O ATOM 830 NE2 GLN A 171 -12.625 -6.551 -6.590 1.00 0.00 N ATOM 0 H GLN A 171 -11.075 -4.743 -3.024 1.00 0.00 H new ATOM 0 HA GLN A 171 -9.029 -6.561 -2.323 1.00 0.00 H new ATOM 0 HB2 GLN A 171 -9.470 -7.536 -4.543 1.00 0.00 H new ATOM 0 HB3 GLN A 171 -10.952 -7.219 -3.664 1.00 0.00 H new ATOM 0 HG2 GLN A 171 -11.334 -5.181 -4.984 1.00 0.00 H new ATOM 0 HG3 GLN A 171 -9.814 -5.415 -5.824 1.00 0.00 H new ATOM 0 HE21 GLN A 171 -13.088 -5.798 -6.080 1.00 0.00 H new ATOM 0 HE22 GLN A 171 -13.149 -7.106 -7.267 1.00 0.00 H new ATOM 839 N ASP A 172 -8.182 -4.283 -4.565 1.00 0.00 N ATOM 840 CA ASP A 172 -7.024 -3.688 -5.215 1.00 0.00 C ATOM 841 C ASP A 172 -6.051 -3.119 -4.188 1.00 0.00 C ATOM 842 O ASP A 172 -4.835 -3.214 -4.356 1.00 0.00 O ATOM 843 CB ASP A 172 -7.453 -2.606 -6.210 1.00 0.00 C ATOM 844 CG ASP A 172 -8.203 -1.456 -5.567 1.00 0.00 C ATOM 845 OD1 ASP A 172 -7.636 -0.796 -4.673 1.00 0.00 O ATOM 846 OD2 ASP A 172 -9.356 -1.204 -5.975 1.00 0.00 O ATOM 0 H ASP A 172 -9.068 -3.819 -4.765 1.00 0.00 H new ATOM 0 HA ASP A 172 -6.510 -4.475 -5.767 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -6.569 -2.216 -6.714 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -8.083 -3.057 -6.976 1.00 0.00 H new ATOM 851 N SER A 173 -6.588 -2.533 -3.120 1.00 0.00 N ATOM 852 CA SER A 173 -5.753 -1.959 -2.071 1.00 0.00 C ATOM 853 C SER A 173 -4.914 -3.043 -1.406 1.00 0.00 C ATOM 854 O SER A 173 -3.719 -2.858 -1.170 1.00 0.00 O ATOM 855 CB SER A 173 -6.613 -1.243 -1.028 1.00 0.00 C ATOM 856 OG SER A 173 -7.488 -2.145 -0.376 1.00 0.00 O ATOM 0 H SER A 173 -7.591 -2.444 -2.960 1.00 0.00 H new ATOM 0 HA SER A 173 -5.084 -1.230 -2.528 1.00 0.00 H new ATOM 0 HB2 SER A 173 -5.970 -0.761 -0.292 1.00 0.00 H new ATOM 0 HB3 SER A 173 -7.192 -0.455 -1.510 1.00 0.00 H new ATOM 0 HG SER A 173 -7.730 -2.868 -0.991 1.00 0.00 H new ATOM 862 N LYS A 174 -5.543 -4.180 -1.115 1.00 0.00 N ATOM 863 CA LYS A 174 -4.849 -5.300 -0.487 1.00 0.00 C ATOM 864 C LYS A 174 -3.626 -5.691 -1.307 1.00 0.00 C ATOM 865 O LYS A 174 -2.528 -5.852 -0.770 1.00 0.00 O ATOM 866 CB LYS A 174 -5.785 -6.504 -0.350 1.00 0.00 C ATOM 867 CG LYS A 174 -6.944 -6.279 0.610 1.00 0.00 C ATOM 868 CD LYS A 174 -6.458 -6.119 2.041 1.00 0.00 C ATOM 869 CE LYS A 174 -7.609 -5.855 2.997 1.00 0.00 C ATOM 870 NZ LYS A 174 -7.138 -5.687 4.399 1.00 0.00 N ATOM 0 H LYS A 174 -6.531 -4.349 -1.304 1.00 0.00 H new ATOM 0 HA LYS A 174 -4.528 -4.988 0.507 1.00 0.00 H new ATOM 0 HB2 LYS A 174 -6.184 -6.755 -1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 174 -5.207 -7.364 -0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 174 -7.498 -5.389 0.311 1.00 0.00 H new ATOM 0 HG3 LYS A 174 -7.635 -7.120 0.551 1.00 0.00 H new ATOM 0 HD2 LYS A 174 -5.928 -7.021 2.349 1.00 0.00 H new ATOM 0 HD3 LYS A 174 -5.745 -5.296 2.094 1.00 0.00 H new ATOM 0 HE2 LYS A 174 -8.143 -4.958 2.683 1.00 0.00 H new ATOM 0 HE3 LYS A 174 -8.318 -6.681 2.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 -7.750 -5.006 4.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 -7.174 -6.603 4.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 -6.160 -5.334 4.397 1.00 0.00 H new ATOM 884 N THR A 175 -3.825 -5.834 -2.613 1.00 0.00 N ATOM 885 CA THR A 175 -2.741 -6.200 -3.514 1.00 0.00 C ATOM 886 C THR A 175 -1.582 -5.217 -3.400 1.00 0.00 C ATOM 887 O THR A 175 -0.421 -5.618 -3.361 1.00 0.00 O ATOM 888 CB THR A 175 -3.220 -6.246 -4.978 1.00 0.00 C ATOM 889 OG1 THR A 175 -4.294 -7.184 -5.113 1.00 0.00 O ATOM 890 CG2 THR A 175 -2.082 -6.636 -5.911 1.00 0.00 C ATOM 0 H THR A 175 -4.727 -5.702 -3.070 1.00 0.00 H new ATOM 0 HA THR A 175 -2.403 -7.194 -3.220 1.00 0.00 H new ATOM 0 HB THR A 175 -3.569 -5.250 -5.252 1.00 0.00 H new ATOM 0 HG1 THR A 175 -5.101 -6.819 -4.694 1.00 0.00 H new ATOM 0 HG21 THR A 175 -2.446 -6.661 -6.938 1.00 0.00 H new ATOM 0 HG22 THR A 175 -1.278 -5.905 -5.829 1.00 0.00 H new ATOM 0 HG23 THR A 175 -1.706 -7.621 -5.635 1.00 0.00 H new ATOM 898 N LYS A 176 -1.908 -3.928 -3.347 1.00 0.00 N ATOM 899 CA LYS A 176 -0.894 -2.883 -3.239 1.00 0.00 C ATOM 900 C LYS A 176 0.039 -3.144 -2.059 1.00 0.00 C ATOM 901 O LYS A 176 1.262 -3.064 -2.195 1.00 0.00 O ATOM 902 CB LYS A 176 -1.559 -1.513 -3.089 1.00 0.00 C ATOM 903 CG LYS A 176 -2.401 -1.110 -4.287 1.00 0.00 C ATOM 904 CD LYS A 176 -3.009 0.270 -4.100 1.00 0.00 C ATOM 905 CE LYS A 176 -3.838 0.683 -5.306 1.00 0.00 C ATOM 906 NZ LYS A 176 -4.986 -0.237 -5.532 1.00 0.00 N ATOM 0 H LYS A 176 -2.867 -3.582 -3.377 1.00 0.00 H new ATOM 0 HA LYS A 176 -0.300 -2.893 -4.153 1.00 0.00 H new ATOM 0 HB2 LYS A 176 -2.188 -1.520 -2.199 1.00 0.00 H new ATOM 0 HB3 LYS A 176 -0.788 -0.760 -2.928 1.00 0.00 H new ATOM 0 HG2 LYS A 176 -1.785 -1.119 -5.186 1.00 0.00 H new ATOM 0 HG3 LYS A 176 -3.195 -1.841 -4.438 1.00 0.00 H new ATOM 0 HD2 LYS A 176 -3.635 0.275 -3.208 1.00 0.00 H new ATOM 0 HD3 LYS A 176 -2.215 0.999 -3.936 1.00 0.00 H new ATOM 0 HE2 LYS A 176 -4.209 1.698 -5.161 1.00 0.00 H new ATOM 0 HE3 LYS A 176 -3.205 0.699 -6.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 -5.601 0.152 -6.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 -4.631 -1.169 -5.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 -5.529 -0.338 -4.651 1.00 0.00 H new ATOM 920 N ILE A 177 -0.540 -3.465 -0.906 1.00 0.00 N ATOM 921 CA ILE A 177 0.251 -3.747 0.288 1.00 0.00 C ATOM 922 C ILE A 177 1.219 -4.901 0.034 1.00 0.00 C ATOM 923 O ILE A 177 2.377 -4.850 0.451 1.00 0.00 O ATOM 924 CB ILE A 177 -0.644 -4.072 1.509 1.00 0.00 C ATOM 925 CG1 ILE A 177 -1.208 -2.788 2.129 1.00 0.00 C ATOM 926 CG2 ILE A 177 0.132 -4.862 2.555 1.00 0.00 C ATOM 927 CD1 ILE A 177 -2.181 -2.042 1.241 1.00 0.00 C ATOM 0 H ILE A 177 -1.549 -3.536 -0.773 1.00 0.00 H new ATOM 0 HA ILE A 177 0.819 -2.845 0.517 1.00 0.00 H new ATOM 0 HB ILE A 177 -1.476 -4.683 1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 177 -1.708 -3.039 3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 177 -0.380 -2.125 2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 177 -0.517 -5.079 3.403 1.00 0.00 H new ATOM 0 HG22 ILE A 177 0.483 -5.797 2.118 1.00 0.00 H new ATOM 0 HG23 ILE A 177 0.987 -4.276 2.893 1.00 0.00 H new ATOM 0 HD11 ILE A 177 -2.531 -1.147 1.756 1.00 0.00 H new ATOM 0 HD12 ILE A 177 -1.683 -1.756 0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 177 -3.031 -2.685 1.012 1.00 0.00 H new ATOM 939 N ASP A 178 0.741 -5.934 -0.654 1.00 0.00 N ATOM 940 CA ASP A 178 1.574 -7.094 -0.963 1.00 0.00 C ATOM 941 C ASP A 178 2.845 -6.680 -1.702 1.00 0.00 C ATOM 942 O ASP A 178 3.938 -7.153 -1.384 1.00 0.00 O ATOM 943 CB ASP A 178 0.792 -8.108 -1.800 1.00 0.00 C ATOM 944 CG ASP A 178 -0.325 -8.768 -1.016 1.00 0.00 C ATOM 945 OD1 ASP A 178 -1.213 -8.043 -0.523 1.00 0.00 O ATOM 946 OD2 ASP A 178 -0.310 -10.011 -0.894 1.00 0.00 O ATOM 0 H ASP A 178 -0.214 -5.993 -1.007 1.00 0.00 H new ATOM 0 HA ASP A 178 1.861 -7.557 -0.019 1.00 0.00 H new ATOM 0 HB2 ASP A 178 0.373 -7.608 -2.673 1.00 0.00 H new ATOM 0 HB3 ASP A 178 1.475 -8.874 -2.169 1.00 0.00 H new ATOM 951 N ILE A 179 2.699 -5.794 -2.684 1.00 0.00 N ATOM 952 CA ILE A 179 3.842 -5.321 -3.458 1.00 0.00 C ATOM 953 C ILE A 179 4.877 -4.652 -2.559 1.00 0.00 C ATOM 954 O ILE A 179 6.071 -4.927 -2.673 1.00 0.00 O ATOM 955 CB ILE A 179 3.416 -4.344 -4.581 1.00 0.00 C ATOM 956 CG1 ILE A 179 2.832 -5.112 -5.773 1.00 0.00 C ATOM 957 CG2 ILE A 179 4.593 -3.490 -5.035 1.00 0.00 C ATOM 958 CD1 ILE A 179 1.579 -5.895 -5.451 1.00 0.00 C ATOM 0 H ILE A 179 1.804 -5.391 -2.961 1.00 0.00 H new ATOM 0 HA ILE A 179 4.290 -6.199 -3.923 1.00 0.00 H new ATOM 0 HB ILE A 179 2.647 -3.685 -4.177 1.00 0.00 H new ATOM 0 HG12 ILE A 179 2.610 -4.405 -6.573 1.00 0.00 H new ATOM 0 HG13 ILE A 179 3.588 -5.798 -6.155 1.00 0.00 H new ATOM 0 HG21 ILE A 179 4.268 -2.812 -5.824 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.969 -2.911 -4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 179 5.386 -4.135 -5.414 1.00 0.00 H new ATOM 0 HD11 ILE A 179 1.231 -6.409 -6.347 1.00 0.00 H new ATOM 0 HD12 ILE A 179 1.797 -6.628 -4.674 1.00 0.00 H new ATOM 0 HD13 ILE A 179 0.804 -5.214 -5.099 1.00 0.00 H new ATOM 970 N ILE A 180 4.421 -3.777 -1.665 1.00 0.00 N ATOM 971 CA ILE A 180 5.331 -3.086 -0.754 1.00 0.00 C ATOM 972 C ILE A 180 6.128 -4.084 0.079 1.00 0.00 C ATOM 973 O ILE A 180 7.324 -3.908 0.294 1.00 0.00 O ATOM 974 CB ILE A 180 4.584 -2.116 0.186 1.00 0.00 C ATOM 975 CG1 ILE A 180 3.894 -1.017 -0.626 1.00 0.00 C ATOM 976 CG2 ILE A 180 5.544 -1.506 1.203 1.00 0.00 C ATOM 977 CD1 ILE A 180 3.217 0.037 0.226 1.00 0.00 C ATOM 0 H ILE A 180 3.437 -3.531 -1.552 1.00 0.00 H new ATOM 0 HA ILE A 180 6.012 -2.504 -1.375 1.00 0.00 H new ATOM 0 HB ILE A 180 3.824 -2.678 0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 180 4.631 -0.534 -1.267 1.00 0.00 H new ATOM 0 HG13 ILE A 180 3.152 -1.473 -1.281 1.00 0.00 H new ATOM 0 HG21 ILE A 180 4.998 -0.825 1.856 1.00 0.00 H new ATOM 0 HG22 ILE A 180 5.994 -2.299 1.800 1.00 0.00 H new ATOM 0 HG23 ILE A 180 6.327 -0.957 0.680 1.00 0.00 H new ATOM 0 HD11 ILE A 180 2.750 0.782 -0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 180 2.455 -0.432 0.848 1.00 0.00 H new ATOM 0 HD13 ILE A 180 3.958 0.521 0.862 1.00 0.00 H new ATOM 989 N ARG A 181 5.463 -5.137 0.540 1.00 0.00 N ATOM 990 CA ARG A 181 6.120 -6.162 1.345 1.00 0.00 C ATOM 991 C ARG A 181 7.334 -6.727 0.617 1.00 0.00 C ATOM 992 O ARG A 181 8.422 -6.830 1.178 1.00 0.00 O ATOM 993 CB ARG A 181 5.153 -7.308 1.638 1.00 0.00 C ATOM 994 CG ARG A 181 3.865 -6.885 2.316 1.00 0.00 C ATOM 995 CD ARG A 181 2.906 -8.057 2.440 1.00 0.00 C ATOM 996 NE ARG A 181 1.648 -7.675 3.076 1.00 0.00 N ATOM 997 CZ ARG A 181 0.650 -8.523 3.311 1.00 0.00 C ATOM 998 NH1 ARG A 181 0.765 -9.799 2.967 1.00 0.00 N ATOM 999 NH2 ARG A 181 -0.462 -8.096 3.892 1.00 0.00 N ATOM 0 H ARG A 181 4.471 -5.304 0.371 1.00 0.00 H new ATOM 0 HA ARG A 181 6.439 -5.696 2.277 1.00 0.00 H new ATOM 0 HB2 ARG A 181 4.908 -7.809 0.701 1.00 0.00 H new ATOM 0 HB3 ARG A 181 5.657 -8.040 2.269 1.00 0.00 H new ATOM 0 HG2 ARG A 181 4.085 -6.484 3.305 1.00 0.00 H new ATOM 0 HG3 ARG A 181 3.395 -6.084 1.745 1.00 0.00 H new ATOM 0 HD2 ARG A 181 2.702 -8.464 1.450 1.00 0.00 H new ATOM 0 HD3 ARG A 181 3.378 -8.851 3.019 1.00 0.00 H new ATOM 0 HE ARG A 181 1.527 -6.702 3.356 1.00 0.00 H new ATOM 0 HH11 ARG A 181 1.620 -10.132 2.521 1.00 0.00 H new ATOM 0 HH12 ARG A 181 -0.001 -10.447 3.148 1.00 0.00 H new ATOM 0 HH21 ARG A 181 -0.554 -7.116 4.160 1.00 0.00 H new ATOM 0 HH22 ARG A 181 -1.226 -8.747 4.071 1.00 0.00 H new ATOM 1013 N MET A 182 7.116 -7.116 -0.632 1.00 0.00 N ATOM 1014 CA MET A 182 8.161 -7.707 -1.458 1.00 0.00 C ATOM 1015 C MET A 182 9.259 -6.701 -1.803 1.00 0.00 C ATOM 1016 O MET A 182 10.445 -7.030 -1.760 1.00 0.00 O ATOM 1017 CB MET A 182 7.531 -8.266 -2.732 1.00 0.00 C ATOM 1018 CG MET A 182 8.388 -9.289 -3.452 1.00 0.00 C ATOM 1019 SD MET A 182 7.449 -10.209 -4.686 1.00 0.00 S ATOM 1020 CE MET A 182 6.111 -10.848 -3.676 1.00 0.00 C ATOM 0 H MET A 182 6.214 -7.031 -1.100 1.00 0.00 H new ATOM 0 HA MET A 182 8.634 -8.509 -0.891 1.00 0.00 H new ATOM 0 HB2 MET A 182 6.574 -8.723 -2.480 1.00 0.00 H new ATOM 0 HB3 MET A 182 7.321 -7.441 -3.413 1.00 0.00 H new ATOM 0 HG2 MET A 182 9.225 -8.785 -3.935 1.00 0.00 H new ATOM 0 HG3 MET A 182 8.810 -9.984 -2.726 1.00 0.00 H new ATOM 0 HE1 MET A 182 5.759 -11.791 -4.093 1.00 0.00 H new ATOM 0 HE2 MET A 182 6.469 -11.012 -2.659 1.00 0.00 H new ATOM 0 HE3 MET A 182 5.291 -10.129 -3.661 1.00 0.00 H new ATOM 1030 N GLN A 183 8.862 -5.481 -2.153 1.00 0.00 N ATOM 1031 CA GLN A 183 9.820 -4.437 -2.514 1.00 0.00 C ATOM 1032 C GLN A 183 10.743 -4.098 -1.347 1.00 0.00 C ATOM 1033 O GLN A 183 11.960 -4.016 -1.509 1.00 0.00 O ATOM 1034 CB GLN A 183 9.082 -3.176 -2.973 1.00 0.00 C ATOM 1035 CG GLN A 183 8.206 -3.386 -4.199 1.00 0.00 C ATOM 1036 CD GLN A 183 8.995 -3.711 -5.459 1.00 0.00 C ATOM 1037 OE1 GLN A 183 8.413 -3.990 -6.508 1.00 0.00 O ATOM 1038 NE2 GLN A 183 10.321 -3.664 -5.373 1.00 0.00 N ATOM 0 H GLN A 183 7.885 -5.190 -2.195 1.00 0.00 H new ATOM 0 HA GLN A 183 10.432 -4.818 -3.332 1.00 0.00 H new ATOM 0 HB2 GLN A 183 8.462 -2.811 -2.154 1.00 0.00 H new ATOM 0 HB3 GLN A 183 9.813 -2.398 -3.190 1.00 0.00 H new ATOM 0 HG2 GLN A 183 7.504 -4.196 -4.000 1.00 0.00 H new ATOM 0 HG3 GLN A 183 7.615 -2.487 -4.372 1.00 0.00 H new ATOM 0 HE21 GLN A 183 10.767 -3.429 -4.486 1.00 0.00 H new ATOM 0 HE22 GLN A 183 10.893 -3.863 -6.194 1.00 0.00 H new ATOM 1047 N LEU A 184 10.153 -3.895 -0.173 1.00 0.00 N ATOM 1048 CA LEU A 184 10.913 -3.556 1.027 1.00 0.00 C ATOM 1049 C LEU A 184 11.894 -4.666 1.401 1.00 0.00 C ATOM 1050 O LEU A 184 13.067 -4.401 1.667 1.00 0.00 O ATOM 1051 CB LEU A 184 9.958 -3.277 2.192 1.00 0.00 C ATOM 1052 CG LEU A 184 9.338 -1.873 2.223 1.00 0.00 C ATOM 1053 CD1 LEU A 184 8.787 -1.479 0.862 1.00 0.00 C ATOM 1054 CD2 LEU A 184 8.247 -1.805 3.281 1.00 0.00 C ATOM 0 H LEU A 184 9.146 -3.960 -0.026 1.00 0.00 H new ATOM 0 HA LEU A 184 11.493 -2.658 0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 184 9.152 -4.010 2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 184 10.497 -3.437 3.126 1.00 0.00 H new ATOM 0 HG LEU A 184 10.124 -1.163 2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 184 8.355 -0.480 0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 184 9.593 -1.485 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 184 8.017 -2.190 0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 184 7.815 -0.805 3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 184 7.470 -2.533 3.050 1.00 0.00 H new ATOM 0 HD23 LEU A 184 8.674 -2.028 4.259 1.00 0.00 H new ATOM 1066 N ARG A 185 11.413 -5.906 1.419 1.00 0.00 N ATOM 1067 CA ARG A 185 12.260 -7.044 1.761 1.00 0.00 C ATOM 1068 C ARG A 185 13.428 -7.168 0.786 1.00 0.00 C ATOM 1069 O ARG A 185 14.573 -7.351 1.197 1.00 0.00 O ATOM 1070 CB ARG A 185 11.443 -8.338 1.763 1.00 0.00 C ATOM 1071 CG ARG A 185 10.354 -8.372 2.824 1.00 0.00 C ATOM 1072 CD ARG A 185 10.936 -8.318 4.228 1.00 0.00 C ATOM 1073 NE ARG A 185 11.839 -9.437 4.494 1.00 0.00 N ATOM 1074 CZ ARG A 185 11.458 -10.713 4.510 1.00 0.00 C ATOM 1075 NH1 ARG A 185 10.192 -11.038 4.286 1.00 0.00 N ATOM 1076 NH2 ARG A 185 12.347 -11.667 4.758 1.00 0.00 N ATOM 0 H ARG A 185 10.446 -6.147 1.202 1.00 0.00 H new ATOM 0 HA ARG A 185 12.660 -6.875 2.761 1.00 0.00 H new ATOM 0 HB2 ARG A 185 10.986 -8.470 0.782 1.00 0.00 H new ATOM 0 HB3 ARG A 185 12.116 -9.182 1.918 1.00 0.00 H new ATOM 0 HG2 ARG A 185 9.677 -7.530 2.678 1.00 0.00 H new ATOM 0 HG3 ARG A 185 9.763 -9.280 2.710 1.00 0.00 H new ATOM 0 HD2 ARG A 185 11.474 -7.379 4.361 1.00 0.00 H new ATOM 0 HD3 ARG A 185 10.125 -8.326 4.956 1.00 0.00 H new ATOM 0 HE ARG A 185 12.820 -9.228 4.678 1.00 0.00 H new ATOM 0 HH11 ARG A 185 9.503 -10.309 4.100 1.00 0.00 H new ATOM 0 HH12 ARG A 185 9.907 -12.017 4.300 1.00 0.00 H new ATOM 0 HH21 ARG A 185 13.321 -11.423 4.936 1.00 0.00 H new ATOM 0 HH22 ARG A 185 12.056 -12.645 4.770 1.00 0.00 H new ATOM 1090 N ARG A 186 13.128 -7.063 -0.505 1.00 0.00 N ATOM 1091 CA ARG A 186 14.152 -7.160 -1.540 1.00 0.00 C ATOM 1092 C ARG A 186 15.194 -6.058 -1.384 1.00 0.00 C ATOM 1093 O ARG A 186 16.388 -6.288 -1.571 1.00 0.00 O ATOM 1094 CB ARG A 186 13.513 -7.080 -2.928 1.00 0.00 C ATOM 1095 CG ARG A 186 14.520 -7.151 -4.066 1.00 0.00 C ATOM 1096 CD ARG A 186 13.836 -7.079 -5.421 1.00 0.00 C ATOM 1097 NE ARG A 186 14.796 -7.119 -6.520 1.00 0.00 N ATOM 1098 CZ ARG A 186 14.450 -7.086 -7.803 1.00 0.00 C ATOM 1099 NH1 ARG A 186 13.171 -7.020 -8.148 1.00 0.00 N ATOM 1100 NH2 ARG A 186 15.385 -7.120 -8.744 1.00 0.00 N ATOM 0 H ARG A 186 12.184 -6.911 -0.860 1.00 0.00 H new ATOM 0 HA ARG A 186 14.651 -8.123 -1.431 1.00 0.00 H new ATOM 0 HB2 ARG A 186 12.796 -7.894 -3.037 1.00 0.00 H new ATOM 0 HB3 ARG A 186 12.952 -6.149 -3.008 1.00 0.00 H new ATOM 0 HG2 ARG A 186 15.233 -6.332 -3.973 1.00 0.00 H new ATOM 0 HG3 ARG A 186 15.088 -8.078 -3.993 1.00 0.00 H new ATOM 0 HD2 ARG A 186 13.137 -7.910 -5.519 1.00 0.00 H new ATOM 0 HD3 ARG A 186 13.251 -6.161 -5.484 1.00 0.00 H new ATOM 0 HE ARG A 186 15.788 -7.175 -6.290 1.00 0.00 H new ATOM 0 HH11 ARG A 186 12.449 -6.994 -7.428 1.00 0.00 H new ATOM 0 HH12 ARG A 186 12.909 -6.995 -9.134 1.00 0.00 H new ATOM 0 HH21 ARG A 186 16.370 -7.172 -8.483 1.00 0.00 H new ATOM 0 HH22 ARG A 186 15.119 -7.095 -9.728 1.00 0.00 H new ATOM 1114 N ALA A 187 14.733 -4.858 -1.044 1.00 0.00 N ATOM 1115 CA ALA A 187 15.622 -3.716 -0.867 1.00 0.00 C ATOM 1116 C ALA A 187 16.639 -3.979 0.238 1.00 0.00 C ATOM 1117 O ALA A 187 17.823 -3.682 0.089 1.00 0.00 O ATOM 1118 CB ALA A 187 14.814 -2.464 -0.556 1.00 0.00 C ATOM 0 H ALA A 187 13.747 -4.652 -0.885 1.00 0.00 H new ATOM 0 HA ALA A 187 16.168 -3.562 -1.798 1.00 0.00 H new ATOM 0 HB1 ALA A 187 15.489 -1.618 -0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 187 14.130 -2.259 -1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 187 14.244 -2.617 0.360 1.00 0.00 H new