USER MOD reduce.3.24.130724 H: found=0, std=0, add=298, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 298 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 168 THR OG1 : rot 75:sc= 0.0568 USER MOD Set 1.2: A 171 MET CE :methyl -144:sc= -10.4! (180deg=-14.1!) USER MOD Set 2.1: A 166 MET CE :methyl 151:sc= -5.64! (180deg=-4.97!) USER MOD Set 2.2: A 189 ASN : amide:sc= -0.387 K(o=-6,f=-5) USER MOD Single : A 165 THR OG1 : rot 180:sc= 0 USER MOD Single : A 172 SER OG : rot 180:sc= 0 USER MOD Single : A 173 MET CE :methyl -175:sc= -9.24! (180deg=-9.76!) USER MOD Single : A 175 TYR OH : rot 180:sc= -0.469 USER MOD Single : A 187 SER OG : rot 66:sc= -1.72! USER MOD Single : A 188 TYR OH : rot 180:sc= 0 USER MOD Single : A 190 ASN : amide:sc= -5.25! K(o=-5.3!,f=-1.8) USER MOD Single : A 192 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 197 TYR OH : rot 60:sc= -0.451 USER MOD Single : A 200 THR OG1 : rot -53:sc= 0.271 USER MOD ----------------------------------------------------------------- ATOM 120 N GLU A 164 -7.790 1.594 1.957 1.00 0.00 N ATOM 121 CA GLU A 164 -7.804 0.298 2.610 1.00 0.00 C ATOM 122 C GLU A 164 -8.145 -0.822 1.631 1.00 0.00 C ATOM 123 O GLU A 164 -7.626 -1.930 1.748 1.00 0.00 O ATOM 124 CB GLU A 164 -8.795 0.301 3.774 1.00 0.00 C ATOM 125 CG GLU A 164 -8.266 0.999 5.017 1.00 0.00 C ATOM 126 CD GLU A 164 -9.255 0.971 6.166 1.00 0.00 C ATOM 127 OE1 GLU A 164 -10.281 1.677 6.084 1.00 0.00 O ATOM 128 OE2 GLU A 164 -9.000 0.242 7.148 1.00 0.00 O ATOM 0 HA GLU A 164 -6.801 0.111 2.994 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -9.716 0.790 3.456 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -9.051 -0.728 4.026 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -7.337 0.522 5.330 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -8.026 2.034 4.774 1.00 0.00 H new ATOM 135 N THR A 165 -9.013 -0.533 0.660 1.00 0.00 N ATOM 136 CA THR A 165 -9.396 -1.535 -0.334 1.00 0.00 C ATOM 137 C THR A 165 -8.232 -1.811 -1.274 1.00 0.00 C ATOM 138 O THR A 165 -8.068 -2.922 -1.779 1.00 0.00 O ATOM 139 CB THR A 165 -10.613 -1.078 -1.137 1.00 0.00 C ATOM 140 OG1 THR A 165 -11.734 -0.892 -0.292 1.00 0.00 O ATOM 141 CG2 THR A 165 -11.006 -2.060 -2.219 1.00 0.00 C ATOM 0 H THR A 165 -9.459 0.376 0.542 1.00 0.00 H new ATOM 0 HA THR A 165 -9.659 -2.451 0.195 1.00 0.00 H new ATOM 0 HB THR A 165 -10.320 -0.138 -1.605 1.00 0.00 H new ATOM 0 HG1 THR A 165 -12.501 -0.598 -0.826 1.00 0.00 H new ATOM 0 HG21 THR A 165 -11.876 -1.681 -2.755 1.00 0.00 H new ATOM 0 HG22 THR A 165 -10.177 -2.185 -2.915 1.00 0.00 H new ATOM 0 HG23 THR A 165 -11.249 -3.022 -1.767 1.00 0.00 H new ATOM 149 N MET A 166 -7.399 -0.797 -1.464 1.00 0.00 N ATOM 150 CA MET A 166 -6.229 -0.895 -2.278 1.00 0.00 C ATOM 151 C MET A 166 -5.325 -1.911 -1.644 1.00 0.00 C ATOM 152 O MET A 166 -4.919 -2.917 -2.235 1.00 0.00 O ATOM 153 CB MET A 166 -5.583 0.471 -2.240 1.00 0.00 C ATOM 154 CG MET A 166 -4.905 0.844 -3.499 1.00 0.00 C ATOM 155 SD MET A 166 -5.538 2.373 -4.219 1.00 0.00 S ATOM 156 CE MET A 166 -4.482 3.593 -3.435 1.00 0.00 C ATOM 0 H MET A 166 -7.532 0.123 -1.044 1.00 0.00 H new ATOM 0 HA MET A 166 -6.442 -1.193 -3.305 1.00 0.00 H new ATOM 0 HB2 MET A 166 -6.345 1.217 -2.013 1.00 0.00 H new ATOM 0 HB3 MET A 166 -4.859 0.498 -1.426 1.00 0.00 H new ATOM 0 HG2 MET A 166 -3.837 0.953 -3.311 1.00 0.00 H new ATOM 0 HG3 MET A 166 -5.020 0.035 -4.220 1.00 0.00 H new ATOM 0 HE1 MET A 166 -4.369 4.454 -4.094 1.00 0.00 H new ATOM 0 HE2 MET A 166 -4.931 3.913 -2.495 1.00 0.00 H new ATOM 0 HE3 MET A 166 -3.503 3.155 -3.239 1.00 0.00 H new ATOM 166 N LEU A 167 -5.070 -1.611 -0.402 1.00 0.00 N ATOM 167 CA LEU A 167 -4.274 -2.435 0.465 1.00 0.00 C ATOM 168 C LEU A 167 -4.749 -3.871 0.408 1.00 0.00 C ATOM 169 O LEU A 167 -3.950 -4.788 0.331 1.00 0.00 O ATOM 170 CB LEU A 167 -4.418 -1.922 1.886 1.00 0.00 C ATOM 171 CG LEU A 167 -3.815 -0.543 2.127 1.00 0.00 C ATOM 172 CD1 LEU A 167 -3.675 -0.290 3.632 1.00 0.00 C ATOM 173 CD2 LEU A 167 -2.424 -0.477 1.504 1.00 0.00 C ATOM 0 H LEU A 167 -5.419 -0.765 0.048 1.00 0.00 H new ATOM 0 HA LEU A 167 -3.233 -2.395 0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -5.477 -1.891 2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -3.947 -2.633 2.565 1.00 0.00 H new ATOM 0 HG LEU A 167 -4.469 0.206 1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -3.243 0.697 3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -4.657 -0.340 4.102 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -3.025 -1.048 4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -1.994 0.510 1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -1.786 -1.235 1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -2.497 -0.658 0.432 1.00 0.00 H new ATOM 185 N THR A 168 -6.065 -4.042 0.459 1.00 0.00 N ATOM 186 CA THR A 168 -6.681 -5.360 0.427 1.00 0.00 C ATOM 187 C THR A 168 -6.358 -6.076 -0.872 1.00 0.00 C ATOM 188 O THR A 168 -6.211 -7.293 -0.894 1.00 0.00 O ATOM 189 CB THR A 168 -8.193 -5.245 0.604 1.00 0.00 C ATOM 190 OG1 THR A 168 -8.522 -4.988 1.957 1.00 0.00 O ATOM 191 CG2 THR A 168 -8.934 -6.490 0.178 1.00 0.00 C ATOM 0 H THR A 168 -6.732 -3.273 0.523 1.00 0.00 H new ATOM 0 HA THR A 168 -6.274 -5.945 1.252 1.00 0.00 H new ATOM 0 HB THR A 168 -8.501 -4.419 -0.037 1.00 0.00 H new ATOM 0 HG1 THR A 168 -8.312 -4.055 2.173 1.00 0.00 H new ATOM 0 HG21 THR A 168 -10.004 -6.346 0.328 1.00 0.00 H new ATOM 0 HG22 THR A 168 -8.739 -6.687 -0.876 1.00 0.00 H new ATOM 0 HG23 THR A 168 -8.595 -7.337 0.774 1.00 0.00 H new ATOM 199 N GLU A 169 -6.222 -5.319 -1.945 1.00 0.00 N ATOM 200 CA GLU A 169 -5.877 -5.900 -3.230 1.00 0.00 C ATOM 201 C GLU A 169 -4.463 -6.484 -3.152 1.00 0.00 C ATOM 202 O GLU A 169 -4.264 -7.710 -3.083 1.00 0.00 O ATOM 203 CB GLU A 169 -5.969 -4.826 -4.318 1.00 0.00 C ATOM 204 CG GLU A 169 -6.957 -5.162 -5.423 1.00 0.00 C ATOM 205 CD GLU A 169 -6.335 -5.991 -6.529 1.00 0.00 C ATOM 206 OE1 GLU A 169 -5.093 -6.105 -6.558 1.00 0.00 O ATOM 207 OE2 GLU A 169 -7.093 -6.525 -7.366 1.00 0.00 O ATOM 0 H GLU A 169 -6.344 -4.306 -1.953 1.00 0.00 H new ATOM 0 HA GLU A 169 -6.572 -6.701 -3.481 1.00 0.00 H new ATOM 0 HB2 GLU A 169 -6.257 -3.880 -3.860 1.00 0.00 H new ATOM 0 HB3 GLU A 169 -4.982 -4.680 -4.757 1.00 0.00 H new ATOM 0 HG2 GLU A 169 -7.801 -5.705 -4.998 1.00 0.00 H new ATOM 0 HG3 GLU A 169 -7.352 -4.238 -5.845 1.00 0.00 H new ATOM 214 N ILE A 170 -3.476 -5.599 -3.110 1.00 0.00 N ATOM 215 CA ILE A 170 -2.092 -6.026 -2.992 1.00 0.00 C ATOM 216 C ILE A 170 -1.958 -6.965 -1.815 1.00 0.00 C ATOM 217 O ILE A 170 -1.101 -7.843 -1.781 1.00 0.00 O ATOM 218 CB ILE A 170 -1.157 -4.824 -2.815 1.00 0.00 C ATOM 219 CG1 ILE A 170 -1.233 -3.977 -4.067 1.00 0.00 C ATOM 220 CG2 ILE A 170 0.264 -5.277 -2.567 1.00 0.00 C ATOM 221 CD1 ILE A 170 -0.992 -2.514 -3.823 1.00 0.00 C ATOM 0 H ILE A 170 -3.608 -4.589 -3.156 1.00 0.00 H new ATOM 0 HA ILE A 170 -1.806 -6.541 -3.909 1.00 0.00 H new ATOM 0 HB ILE A 170 -1.468 -4.241 -1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 170 -0.500 -4.342 -4.787 1.00 0.00 H new ATOM 0 HG13 ILE A 170 -2.216 -4.103 -4.521 1.00 0.00 H new ATOM 0 HG21 ILE A 170 0.908 -4.406 -2.445 1.00 0.00 H new ATOM 0 HG22 ILE A 170 0.300 -5.884 -1.663 1.00 0.00 H new ATOM 0 HG23 ILE A 170 0.611 -5.868 -3.415 1.00 0.00 H new ATOM 0 HD11 ILE A 170 -1.062 -1.971 -4.766 1.00 0.00 H new ATOM 0 HD12 ILE A 170 -1.740 -2.133 -3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 170 0.002 -2.375 -3.398 1.00 0.00 H new ATOM 233 N MET A 171 -2.848 -6.782 -0.865 1.00 0.00 N ATOM 234 CA MET A 171 -2.880 -7.622 0.318 1.00 0.00 C ATOM 235 C MET A 171 -2.983 -9.073 -0.099 1.00 0.00 C ATOM 236 O MET A 171 -2.043 -9.845 0.043 1.00 0.00 O ATOM 237 CB MET A 171 -4.075 -7.263 1.183 1.00 0.00 C ATOM 238 CG MET A 171 -3.692 -6.468 2.396 1.00 0.00 C ATOM 239 SD MET A 171 -4.926 -6.533 3.701 1.00 0.00 S ATOM 240 CE MET A 171 -5.175 -4.784 3.966 1.00 0.00 C ATOM 0 H MET A 171 -3.564 -6.056 -0.887 1.00 0.00 H new ATOM 0 HA MET A 171 -1.966 -7.464 0.890 1.00 0.00 H new ATOM 0 HB2 MET A 171 -4.790 -6.692 0.590 1.00 0.00 H new ATOM 0 HB3 MET A 171 -4.579 -8.177 1.497 1.00 0.00 H new ATOM 0 HG2 MET A 171 -2.743 -6.841 2.782 1.00 0.00 H new ATOM 0 HG3 MET A 171 -3.532 -5.429 2.107 1.00 0.00 H new ATOM 0 HE1 MET A 171 -5.346 -4.597 5.026 1.00 0.00 H new ATOM 0 HE2 MET A 171 -4.291 -4.237 3.639 1.00 0.00 H new ATOM 0 HE3 MET A 171 -6.041 -4.449 3.394 1.00 0.00 H new ATOM 250 N SER A 172 -4.136 -9.424 -0.644 1.00 0.00 N ATOM 251 CA SER A 172 -4.368 -10.778 -1.128 1.00 0.00 C ATOM 252 C SER A 172 -3.081 -11.307 -1.740 1.00 0.00 C ATOM 253 O SER A 172 -2.786 -12.501 -1.677 1.00 0.00 O ATOM 254 CB SER A 172 -5.495 -10.796 -2.163 1.00 0.00 C ATOM 255 OG SER A 172 -5.789 -12.121 -2.574 1.00 0.00 O ATOM 0 H SER A 172 -4.927 -8.791 -0.763 1.00 0.00 H new ATOM 0 HA SER A 172 -4.669 -11.414 -0.295 1.00 0.00 H new ATOM 0 HB2 SER A 172 -6.388 -10.336 -1.741 1.00 0.00 H new ATOM 0 HB3 SER A 172 -5.208 -10.199 -3.028 1.00 0.00 H new ATOM 0 HG SER A 172 -6.513 -12.106 -3.234 1.00 0.00 H new ATOM 261 N MET A 173 -2.302 -10.386 -2.310 1.00 0.00 N ATOM 262 CA MET A 173 -1.027 -10.713 -2.913 1.00 0.00 C ATOM 263 C MET A 173 0.076 -10.878 -1.860 1.00 0.00 C ATOM 264 O MET A 173 1.231 -10.533 -2.106 1.00 0.00 O ATOM 265 CB MET A 173 -0.649 -9.599 -3.880 1.00 0.00 C ATOM 266 CG MET A 173 -0.900 -9.963 -5.317 1.00 0.00 C ATOM 267 SD MET A 173 0.433 -9.445 -6.412 1.00 0.00 S ATOM 268 CE MET A 173 0.528 -7.706 -6.003 1.00 0.00 C ATOM 0 H MET A 173 -2.545 -9.397 -2.362 1.00 0.00 H new ATOM 0 HA MET A 173 -1.124 -11.664 -3.437 1.00 0.00 H new ATOM 0 HB2 MET A 173 -1.217 -8.702 -3.633 1.00 0.00 H new ATOM 0 HB3 MET A 173 0.405 -9.355 -3.751 1.00 0.00 H new ATOM 0 HG2 MET A 173 -1.030 -11.042 -5.396 1.00 0.00 H new ATOM 0 HG3 MET A 173 -1.833 -9.504 -5.646 1.00 0.00 H new ATOM 0 HE1 MET A 173 1.248 -7.217 -6.659 1.00 0.00 H new ATOM 0 HE2 MET A 173 -0.452 -7.248 -6.133 1.00 0.00 H new ATOM 0 HE3 MET A 173 0.847 -7.593 -4.967 1.00 0.00 H new ATOM 278 N GLY A 174 -0.278 -11.408 -0.689 1.00 0.00 N ATOM 279 CA GLY A 174 0.701 -11.601 0.364 1.00 0.00 C ATOM 280 C GLY A 174 1.405 -10.314 0.752 1.00 0.00 C ATOM 281 O GLY A 174 2.634 -10.274 0.833 1.00 0.00 O ATOM 0 H GLY A 174 -1.225 -11.706 -0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 174 0.207 -12.019 1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 174 1.441 -12.331 0.037 1.00 0.00 H new ATOM 285 N TYR A 175 0.631 -9.257 0.987 1.00 0.00 N ATOM 286 CA TYR A 175 1.199 -7.967 1.359 1.00 0.00 C ATOM 287 C TYR A 175 0.304 -7.212 2.347 1.00 0.00 C ATOM 288 O TYR A 175 -0.557 -6.432 1.948 1.00 0.00 O ATOM 289 CB TYR A 175 1.414 -7.119 0.111 1.00 0.00 C ATOM 290 CG TYR A 175 2.316 -7.767 -0.924 1.00 0.00 C ATOM 291 CD1 TYR A 175 3.631 -8.088 -0.618 1.00 0.00 C ATOM 292 CD2 TYR A 175 1.856 -8.054 -2.209 1.00 0.00 C ATOM 293 CE1 TYR A 175 4.462 -8.676 -1.552 1.00 0.00 C ATOM 294 CE2 TYR A 175 2.685 -8.641 -3.148 1.00 0.00 C ATOM 295 CZ TYR A 175 3.985 -8.949 -2.813 1.00 0.00 C ATOM 296 OH TYR A 175 4.812 -9.533 -3.746 1.00 0.00 O ATOM 0 H TYR A 175 -0.387 -9.270 0.926 1.00 0.00 H new ATOM 0 HA TYR A 175 2.153 -8.155 1.851 1.00 0.00 H new ATOM 0 HB2 TYR A 175 0.446 -6.909 -0.345 1.00 0.00 H new ATOM 0 HB3 TYR A 175 1.843 -6.161 0.404 1.00 0.00 H new ATOM 0 HD1 TYR A 175 4.012 -7.874 0.370 1.00 0.00 H new ATOM 0 HD2 TYR A 175 0.837 -7.814 -2.475 1.00 0.00 H new ATOM 0 HE1 TYR A 175 5.482 -8.920 -1.293 1.00 0.00 H new ATOM 0 HE2 TYR A 175 2.315 -8.857 -4.139 1.00 0.00 H new ATOM 0 HH TYR A 175 4.321 -9.659 -4.585 1.00 0.00 H new ATOM 306 N GLU A 176 0.523 -7.445 3.637 1.00 0.00 N ATOM 307 CA GLU A 176 -0.258 -6.785 4.684 1.00 0.00 C ATOM 308 C GLU A 176 -0.539 -5.325 4.343 1.00 0.00 C ATOM 309 O GLU A 176 0.258 -4.659 3.686 1.00 0.00 O ATOM 310 CB GLU A 176 0.472 -6.875 6.025 1.00 0.00 C ATOM 311 CG GLU A 176 -0.421 -7.310 7.174 1.00 0.00 C ATOM 312 CD GLU A 176 -0.629 -8.809 7.214 1.00 0.00 C ATOM 313 OE1 GLU A 176 0.154 -9.536 6.566 1.00 0.00 O ATOM 314 OE2 GLU A 176 -1.575 -9.260 7.893 1.00 0.00 O ATOM 0 H GLU A 176 1.235 -8.086 3.986 1.00 0.00 H new ATOM 0 HA GLU A 176 -1.215 -7.303 4.756 1.00 0.00 H new ATOM 0 HB2 GLU A 176 1.300 -7.578 5.932 1.00 0.00 H new ATOM 0 HB3 GLU A 176 0.905 -5.903 6.260 1.00 0.00 H new ATOM 0 HG2 GLU A 176 0.020 -6.983 8.116 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -1.388 -6.815 7.085 1.00 0.00 H new ATOM 321 N ARG A 177 -1.692 -4.845 4.800 1.00 0.00 N ATOM 322 CA ARG A 177 -2.126 -3.472 4.558 1.00 0.00 C ATOM 323 C ARG A 177 -1.039 -2.458 4.883 1.00 0.00 C ATOM 324 O ARG A 177 -0.970 -1.403 4.265 1.00 0.00 O ATOM 325 CB ARG A 177 -3.382 -3.175 5.398 1.00 0.00 C ATOM 326 CG ARG A 177 -3.210 -2.107 6.476 1.00 0.00 C ATOM 327 CD ARG A 177 -4.174 -2.325 7.631 1.00 0.00 C ATOM 328 NE ARG A 177 -4.389 -3.744 7.906 1.00 0.00 N ATOM 329 CZ ARG A 177 -5.534 -4.248 8.363 1.00 0.00 C ATOM 330 NH1 ARG A 177 -6.563 -3.450 8.617 1.00 0.00 N ATOM 331 NH2 ARG A 177 -5.647 -5.552 8.572 1.00 0.00 N ATOM 0 H ARG A 177 -2.352 -5.397 5.348 1.00 0.00 H new ATOM 0 HA ARG A 177 -2.351 -3.379 3.496 1.00 0.00 H new ATOM 0 HB2 ARG A 177 -4.183 -2.864 4.727 1.00 0.00 H new ATOM 0 HB3 ARG A 177 -3.707 -4.100 5.875 1.00 0.00 H new ATOM 0 HG2 ARG A 177 -2.185 -2.124 6.847 1.00 0.00 H new ATOM 0 HG3 ARG A 177 -3.376 -1.121 6.043 1.00 0.00 H new ATOM 0 HD2 ARG A 177 -3.784 -1.838 8.525 1.00 0.00 H new ATOM 0 HD3 ARG A 177 -5.129 -1.852 7.400 1.00 0.00 H new ATOM 0 HE ARG A 177 -3.616 -4.387 7.738 1.00 0.00 H new ATOM 0 HH11 ARG A 177 -6.480 -2.445 8.462 1.00 0.00 H new ATOM 0 HH12 ARG A 177 -7.438 -3.841 8.967 1.00 0.00 H new ATOM 0 HH21 ARG A 177 -4.857 -6.169 8.383 1.00 0.00 H new ATOM 0 HH22 ARG A 177 -6.524 -5.938 8.922 1.00 0.00 H new ATOM 345 N GLU A 178 -0.239 -2.748 5.891 1.00 0.00 N ATOM 346 CA GLU A 178 0.790 -1.810 6.321 1.00 0.00 C ATOM 347 C GLU A 178 1.978 -1.731 5.369 1.00 0.00 C ATOM 348 O GLU A 178 2.553 -0.660 5.187 1.00 0.00 O ATOM 349 CB GLU A 178 1.271 -2.155 7.730 1.00 0.00 C ATOM 350 CG GLU A 178 2.239 -1.135 8.308 1.00 0.00 C ATOM 351 CD GLU A 178 2.734 -1.517 9.688 1.00 0.00 C ATOM 352 OE1 GLU A 178 3.297 -2.622 9.832 1.00 0.00 O ATOM 353 OE2 GLU A 178 2.559 -0.711 10.625 1.00 0.00 O ATOM 0 H GLU A 178 -0.277 -3.616 6.426 1.00 0.00 H new ATOM 0 HA GLU A 178 0.323 -0.825 6.318 1.00 0.00 H new ATOM 0 HB2 GLU A 178 0.407 -2.239 8.390 1.00 0.00 H new ATOM 0 HB3 GLU A 178 1.754 -3.132 7.711 1.00 0.00 H new ATOM 0 HG2 GLU A 178 3.091 -1.028 7.637 1.00 0.00 H new ATOM 0 HG3 GLU A 178 1.749 -0.163 8.358 1.00 0.00 H new ATOM 360 N ARG A 179 2.361 -2.847 4.776 1.00 0.00 N ATOM 361 CA ARG A 179 3.487 -2.865 3.869 1.00 0.00 C ATOM 362 C ARG A 179 3.166 -2.143 2.573 1.00 0.00 C ATOM 363 O ARG A 179 4.010 -1.465 1.984 1.00 0.00 O ATOM 364 CB ARG A 179 3.864 -4.308 3.569 1.00 0.00 C ATOM 365 CG ARG A 179 4.420 -5.060 4.766 1.00 0.00 C ATOM 366 CD ARG A 179 4.251 -6.563 4.605 1.00 0.00 C ATOM 367 NE ARG A 179 3.836 -7.204 5.850 1.00 0.00 N ATOM 368 CZ ARG A 179 3.781 -8.523 6.014 1.00 0.00 C ATOM 369 NH1 ARG A 179 4.112 -9.331 5.019 1.00 0.00 N ATOM 370 NH2 ARG A 179 3.395 -9.031 7.176 1.00 0.00 N ATOM 0 H ARG A 179 1.907 -3.751 4.908 1.00 0.00 H new ATOM 0 HA ARG A 179 4.320 -2.348 4.345 1.00 0.00 H new ATOM 0 HB2 ARG A 179 2.984 -4.834 3.199 1.00 0.00 H new ATOM 0 HB3 ARG A 179 4.604 -4.321 2.768 1.00 0.00 H new ATOM 0 HG2 ARG A 179 5.477 -4.822 4.888 1.00 0.00 H new ATOM 0 HG3 ARG A 179 3.912 -4.730 5.672 1.00 0.00 H new ATOM 0 HD2 ARG A 179 3.511 -6.764 3.830 1.00 0.00 H new ATOM 0 HD3 ARG A 179 5.191 -6.999 4.269 1.00 0.00 H new ATOM 0 HE ARG A 179 3.574 -6.609 6.636 1.00 0.00 H new ATOM 0 HH11 ARG A 179 4.410 -8.943 4.124 1.00 0.00 H new ATOM 0 HH12 ARG A 179 4.069 -10.342 5.147 1.00 0.00 H new ATOM 0 HH21 ARG A 179 3.140 -8.411 7.944 1.00 0.00 H new ATOM 0 HH22 ARG A 179 3.353 -10.042 7.302 1.00 0.00 H new ATOM 384 N VAL A 180 1.937 -2.307 2.150 1.00 0.00 N ATOM 385 CA VAL A 180 1.454 -1.708 0.916 1.00 0.00 C ATOM 386 C VAL A 180 1.053 -0.263 1.123 1.00 0.00 C ATOM 387 O VAL A 180 1.317 0.569 0.265 1.00 0.00 O ATOM 388 CB VAL A 180 0.309 -2.556 0.327 1.00 0.00 C ATOM 389 CG1 VAL A 180 -0.417 -3.291 1.431 1.00 0.00 C ATOM 390 CG2 VAL A 180 -0.643 -1.732 -0.516 1.00 0.00 C ATOM 0 H VAL A 180 1.238 -2.859 2.647 1.00 0.00 H new ATOM 0 HA VAL A 180 2.267 -1.699 0.190 1.00 0.00 H new ATOM 0 HB VAL A 180 0.751 -3.291 -0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -1.223 -3.886 1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 180 0.281 -3.947 1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -0.833 -2.571 2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -1.431 -2.375 -0.908 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -1.086 -0.947 0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -0.098 -1.280 -1.345 1.00 0.00 H new ATOM 400 N VAL A 181 0.456 0.040 2.260 1.00 0.00 N ATOM 401 CA VAL A 181 0.064 1.409 2.552 1.00 0.00 C ATOM 402 C VAL A 181 1.300 2.256 2.748 1.00 0.00 C ATOM 403 O VAL A 181 1.379 3.382 2.269 1.00 0.00 O ATOM 404 CB VAL A 181 -0.858 1.496 3.778 1.00 0.00 C ATOM 405 CG1 VAL A 181 -0.079 1.699 5.063 1.00 0.00 C ATOM 406 CG2 VAL A 181 -1.864 2.603 3.608 1.00 0.00 C ATOM 0 H VAL A 181 0.233 -0.635 2.991 1.00 0.00 H new ATOM 0 HA VAL A 181 -0.505 1.788 1.703 1.00 0.00 H new ATOM 0 HB VAL A 181 -1.381 0.542 3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -0.771 1.755 5.903 1.00 0.00 H new ATOM 0 HG12 VAL A 181 0.604 0.862 5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 181 0.491 2.626 5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -2.507 2.648 4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -1.343 3.553 3.491 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -2.471 2.410 2.723 1.00 0.00 H new ATOM 416 N ALA A 182 2.284 1.675 3.402 1.00 0.00 N ATOM 417 CA ALA A 182 3.555 2.346 3.592 1.00 0.00 C ATOM 418 C ALA A 182 4.226 2.398 2.241 1.00 0.00 C ATOM 419 O ALA A 182 4.981 3.320 1.934 1.00 0.00 O ATOM 420 CB ALA A 182 4.427 1.603 4.618 1.00 0.00 C ATOM 0 H ALA A 182 2.230 0.742 3.810 1.00 0.00 H new ATOM 0 HA ALA A 182 3.406 3.351 3.988 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.374 2.129 4.740 1.00 0.00 H new ATOM 0 HB2 ALA A 182 3.908 1.563 5.576 1.00 0.00 H new ATOM 0 HB3 ALA A 182 4.618 0.589 4.267 1.00 0.00 H new ATOM 426 N ALA A 183 3.883 1.419 1.407 1.00 0.00 N ATOM 427 CA ALA A 183 4.393 1.377 0.058 1.00 0.00 C ATOM 428 C ALA A 183 3.602 2.355 -0.788 1.00 0.00 C ATOM 429 O ALA A 183 4.061 2.789 -1.840 1.00 0.00 O ATOM 430 CB ALA A 183 4.315 -0.023 -0.513 1.00 0.00 C ATOM 0 H ALA A 183 3.256 0.652 1.649 1.00 0.00 H new ATOM 0 HA ALA A 183 5.445 1.661 0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 183 4.706 -0.023 -1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.906 -0.701 0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 183 3.277 -0.354 -0.524 1.00 0.00 H new ATOM 436 N LEU A 184 2.422 2.742 -0.289 1.00 0.00 N ATOM 437 CA LEU A 184 1.598 3.720 -0.974 1.00 0.00 C ATOM 438 C LEU A 184 2.257 5.068 -0.772 1.00 0.00 C ATOM 439 O LEU A 184 2.465 5.814 -1.710 1.00 0.00 O ATOM 440 CB LEU A 184 0.156 3.753 -0.436 1.00 0.00 C ATOM 441 CG LEU A 184 -0.706 2.514 -0.734 1.00 0.00 C ATOM 442 CD1 LEU A 184 -1.950 2.491 0.135 1.00 0.00 C ATOM 443 CD2 LEU A 184 -1.112 2.488 -2.194 1.00 0.00 C ATOM 0 H LEU A 184 2.026 2.390 0.582 1.00 0.00 H new ATOM 0 HA LEU A 184 1.524 3.457 -2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 184 0.196 3.891 0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -0.345 4.628 -0.851 1.00 0.00 H new ATOM 0 HG LEU A 184 -0.105 1.633 -0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -2.540 1.604 -0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -1.660 2.469 1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -2.545 3.384 -0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -1.721 1.605 -2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -1.687 3.384 -2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -0.220 2.457 -2.819 1.00 0.00 H new ATOM 455 N ARG A 185 2.642 5.343 0.465 1.00 0.00 N ATOM 456 CA ARG A 185 3.334 6.580 0.770 1.00 0.00 C ATOM 457 C ARG A 185 4.629 6.604 -0.019 1.00 0.00 C ATOM 458 O ARG A 185 5.100 7.660 -0.441 1.00 0.00 O ATOM 459 CB ARG A 185 3.624 6.688 2.267 1.00 0.00 C ATOM 460 CG ARG A 185 2.458 6.268 3.146 1.00 0.00 C ATOM 461 CD ARG A 185 2.709 6.621 4.603 1.00 0.00 C ATOM 462 NE ARG A 185 1.488 6.560 5.399 1.00 0.00 N ATOM 463 CZ ARG A 185 1.456 6.747 6.713 1.00 0.00 C ATOM 464 NH1 ARG A 185 2.579 7.008 7.374 1.00 0.00 N ATOM 465 NH2 ARG A 185 0.307 6.675 7.369 1.00 0.00 N ATOM 0 H ARG A 185 2.488 4.730 1.266 1.00 0.00 H new ATOM 0 HA ARG A 185 2.707 7.428 0.495 1.00 0.00 H new ATOM 0 HB2 ARG A 185 4.489 6.070 2.506 1.00 0.00 H new ATOM 0 HB3 ARG A 185 3.893 7.718 2.503 1.00 0.00 H new ATOM 0 HG2 ARG A 185 1.547 6.757 2.803 1.00 0.00 H new ATOM 0 HG3 ARG A 185 2.298 5.194 3.052 1.00 0.00 H new ATOM 0 HD2 ARG A 185 3.448 5.936 5.020 1.00 0.00 H new ATOM 0 HD3 ARG A 185 3.133 7.623 4.665 1.00 0.00 H new ATOM 0 HE ARG A 185 0.610 6.363 4.919 1.00 0.00 H new ATOM 0 HH11 ARG A 185 3.465 7.065 6.872 1.00 0.00 H new ATOM 0 HH12 ARG A 185 2.555 7.152 8.384 1.00 0.00 H new ATOM 0 HH21 ARG A 185 -0.557 6.475 6.864 1.00 0.00 H new ATOM 0 HH22 ARG A 185 0.286 6.819 8.379 1.00 0.00 H new ATOM 479 N ALA A 186 5.193 5.413 -0.225 1.00 0.00 N ATOM 480 CA ALA A 186 6.433 5.280 -0.980 1.00 0.00 C ATOM 481 C ALA A 186 6.160 5.044 -2.467 1.00 0.00 C ATOM 482 O ALA A 186 7.083 5.047 -3.281 1.00 0.00 O ATOM 483 CB ALA A 186 7.276 4.151 -0.409 1.00 0.00 C ATOM 0 H ALA A 186 4.811 4.532 0.120 1.00 0.00 H new ATOM 0 HA ALA A 186 6.984 6.216 -0.889 1.00 0.00 H new ATOM 0 HB1 ALA A 186 8.199 4.061 -0.981 1.00 0.00 H new ATOM 0 HB2 ALA A 186 7.514 4.366 0.633 1.00 0.00 H new ATOM 0 HB3 ALA A 186 6.720 3.215 -0.469 1.00 0.00 H new ATOM 489 N SER A 187 4.890 4.835 -2.817 1.00 0.00 N ATOM 490 CA SER A 187 4.506 4.589 -4.208 1.00 0.00 C ATOM 491 C SER A 187 3.602 5.698 -4.756 1.00 0.00 C ATOM 492 O SER A 187 3.185 5.653 -5.912 1.00 0.00 O ATOM 493 CB SER A 187 3.797 3.239 -4.338 1.00 0.00 C ATOM 494 OG SER A 187 4.673 2.177 -4.004 1.00 0.00 O ATOM 0 H SER A 187 4.111 4.831 -2.158 1.00 0.00 H new ATOM 0 HA SER A 187 5.423 4.578 -4.797 1.00 0.00 H new ATOM 0 HB2 SER A 187 2.925 3.217 -3.684 1.00 0.00 H new ATOM 0 HB3 SER A 187 3.434 3.110 -5.358 1.00 0.00 H new ATOM 0 HG SER A 187 4.901 2.228 -3.052 1.00 0.00 H new ATOM 500 N TYR A 188 3.311 6.700 -3.926 1.00 0.00 N ATOM 501 CA TYR A 188 2.465 7.828 -4.333 1.00 0.00 C ATOM 502 C TYR A 188 0.978 7.456 -4.357 1.00 0.00 C ATOM 503 O TYR A 188 0.286 7.713 -5.344 1.00 0.00 O ATOM 504 CB TYR A 188 2.888 8.319 -5.720 1.00 0.00 C ATOM 505 CG TYR A 188 2.306 9.670 -6.101 1.00 0.00 C ATOM 506 CD1 TYR A 188 1.982 10.612 -5.128 1.00 0.00 C ATOM 507 CD2 TYR A 188 2.079 10.005 -7.432 1.00 0.00 C ATOM 508 CE1 TYR A 188 1.454 11.842 -5.472 1.00 0.00 C ATOM 509 CE2 TYR A 188 1.550 11.234 -7.780 1.00 0.00 C ATOM 510 CZ TYR A 188 1.240 12.147 -6.797 1.00 0.00 C ATOM 511 OH TYR A 188 0.712 13.370 -7.141 1.00 0.00 O ATOM 0 H TYR A 188 3.648 6.756 -2.965 1.00 0.00 H new ATOM 0 HA TYR A 188 2.599 8.619 -3.595 1.00 0.00 H new ATOM 0 HB2 TYR A 188 3.976 8.380 -5.756 1.00 0.00 H new ATOM 0 HB3 TYR A 188 2.585 7.582 -6.463 1.00 0.00 H new ATOM 0 HD1 TYR A 188 2.146 10.377 -4.087 1.00 0.00 H new ATOM 0 HD2 TYR A 188 2.320 9.293 -8.207 1.00 0.00 H new ATOM 0 HE1 TYR A 188 1.210 12.561 -4.704 1.00 0.00 H new ATOM 0 HE2 TYR A 188 1.381 11.477 -8.819 1.00 0.00 H new ATOM 0 HH TYR A 188 0.625 13.426 -8.116 1.00 0.00 H new ATOM 521 N ASN A 189 0.484 6.859 -3.272 1.00 0.00 N ATOM 522 CA ASN A 189 -0.916 6.462 -3.173 1.00 0.00 C ATOM 523 C ASN A 189 -1.277 5.370 -4.167 1.00 0.00 C ATOM 524 O ASN A 189 -2.406 4.886 -4.170 1.00 0.00 O ATOM 525 CB ASN A 189 -1.812 7.660 -3.417 1.00 0.00 C ATOM 526 CG ASN A 189 -3.048 7.662 -2.539 1.00 0.00 C ATOM 527 OD1 ASN A 189 -3.126 8.407 -1.561 1.00 0.00 O ATOM 528 ND2 ASN A 189 -4.023 6.827 -2.879 1.00 0.00 N ATOM 0 H ASN A 189 1.039 6.640 -2.445 1.00 0.00 H new ATOM 0 HA ASN A 189 -1.066 6.070 -2.167 1.00 0.00 H new ATOM 0 HB2 ASN A 189 -1.245 8.574 -3.239 1.00 0.00 H new ATOM 0 HB3 ASN A 189 -2.116 7.672 -4.464 1.00 0.00 H new ATOM 0 HD21 ASN A 189 -4.877 6.786 -2.322 1.00 0.00 H new ATOM 0 HD22 ASN A 189 -3.918 6.227 -3.697 1.00 0.00 H new ATOM 535 N ASN A 190 -0.336 4.977 -5.010 1.00 0.00 N ATOM 536 CA ASN A 190 -0.620 3.941 -5.983 1.00 0.00 C ATOM 537 C ASN A 190 -0.538 2.576 -5.336 1.00 0.00 C ATOM 538 O ASN A 190 0.183 2.380 -4.362 1.00 0.00 O ATOM 539 CB ASN A 190 0.321 3.973 -7.179 1.00 0.00 C ATOM 540 CG ASN A 190 0.311 5.293 -7.917 1.00 0.00 C ATOM 541 OD1 ASN A 190 -0.179 5.388 -9.041 1.00 0.00 O ATOM 542 ND2 ASN A 190 0.853 6.319 -7.287 1.00 0.00 N ATOM 0 H ASN A 190 0.612 5.352 -5.040 1.00 0.00 H new ATOM 0 HA ASN A 190 -1.629 4.134 -6.347 1.00 0.00 H new ATOM 0 HB2 ASN A 190 1.335 3.763 -6.839 1.00 0.00 H new ATOM 0 HB3 ASN A 190 0.045 3.177 -7.870 1.00 0.00 H new ATOM 0 HD21 ASN A 190 0.877 7.236 -7.732 1.00 0.00 H new ATOM 0 HD22 ASN A 190 1.248 6.194 -6.355 1.00 0.00 H new ATOM 549 N PRO A 191 -1.281 1.617 -5.879 1.00 0.00 N ATOM 550 CA PRO A 191 -1.338 0.253 -5.397 1.00 0.00 C ATOM 551 C PRO A 191 -0.381 -0.650 -6.152 1.00 0.00 C ATOM 552 O PRO A 191 0.570 -1.180 -5.584 1.00 0.00 O ATOM 553 CB PRO A 191 -2.769 -0.153 -5.709 1.00 0.00 C ATOM 554 CG PRO A 191 -3.323 0.935 -6.593 1.00 0.00 C ATOM 555 CD PRO A 191 -2.148 1.773 -7.023 1.00 0.00 C ATOM 0 HA PRO A 191 -1.063 0.172 -4.345 1.00 0.00 H new ATOM 0 HB2 PRO A 191 -2.800 -1.119 -6.213 1.00 0.00 H new ATOM 0 HB3 PRO A 191 -3.355 -0.251 -4.795 1.00 0.00 H new ATOM 0 HG2 PRO A 191 -3.834 0.511 -7.457 1.00 0.00 H new ATOM 0 HG3 PRO A 191 -4.054 1.538 -6.055 1.00 0.00 H new ATOM 0 HD2 PRO A 191 -1.691 1.406 -7.942 1.00 0.00 H new ATOM 0 HD3 PRO A 191 -2.422 2.814 -7.197 1.00 0.00 H new ATOM 563 N HIS A 192 -0.642 -0.814 -7.446 1.00 0.00 N ATOM 564 CA HIS A 192 0.200 -1.635 -8.293 1.00 0.00 C ATOM 565 C HIS A 192 1.656 -1.276 -8.042 1.00 0.00 C ATOM 566 O HIS A 192 2.491 -2.149 -7.818 1.00 0.00 O ATOM 567 CB HIS A 192 -0.158 -1.420 -9.761 1.00 0.00 C ATOM 568 CG HIS A 192 0.173 -2.590 -10.635 1.00 0.00 C ATOM 569 ND1 HIS A 192 -0.772 -3.501 -11.062 1.00 0.00 N ATOM 570 CD2 HIS A 192 1.353 -2.998 -11.161 1.00 0.00 C ATOM 571 CE1 HIS A 192 -0.187 -4.419 -11.810 1.00 0.00 C ATOM 572 NE2 HIS A 192 1.102 -4.136 -11.887 1.00 0.00 N ATOM 0 H HIS A 192 -1.433 -0.386 -7.926 1.00 0.00 H new ATOM 0 HA HIS A 192 0.042 -2.687 -8.056 1.00 0.00 H new ATOM 0 HB2 HIS A 192 -1.224 -1.209 -9.839 1.00 0.00 H new ATOM 0 HB3 HIS A 192 0.369 -0.540 -10.130 1.00 0.00 H new ATOM 0 HD2 HIS A 192 2.312 -2.518 -11.033 1.00 0.00 H new ATOM 0 HE1 HIS A 192 -0.678 -5.259 -12.279 1.00 0.00 H new ATOM 0 HE2 HIS A 192 1.797 -4.676 -12.402 1.00 0.00 H new ATOM 580 N ARG A 193 1.940 0.025 -8.041 1.00 0.00 N ATOM 581 CA ARG A 193 3.283 0.512 -7.768 1.00 0.00 C ATOM 582 C ARG A 193 3.619 0.180 -6.325 1.00 0.00 C ATOM 583 O ARG A 193 4.757 -0.129 -5.982 1.00 0.00 O ATOM 584 CB ARG A 193 3.363 2.026 -8.001 1.00 0.00 C ATOM 585 CG ARG A 193 4.579 2.692 -7.371 1.00 0.00 C ATOM 586 CD ARG A 193 5.615 3.072 -8.409 1.00 0.00 C ATOM 587 NE ARG A 193 6.877 3.484 -7.800 1.00 0.00 N ATOM 588 CZ ARG A 193 7.833 4.132 -8.456 1.00 0.00 C ATOM 589 NH1 ARG A 193 7.673 4.432 -9.739 1.00 0.00 N ATOM 590 NH2 ARG A 193 8.950 4.482 -7.830 1.00 0.00 N ATOM 0 H ARG A 193 1.255 0.758 -8.227 1.00 0.00 H new ATOM 0 HA ARG A 193 3.997 0.035 -8.439 1.00 0.00 H new ATOM 0 HB2 ARG A 193 3.374 2.217 -9.074 1.00 0.00 H new ATOM 0 HB3 ARG A 193 2.461 2.491 -7.603 1.00 0.00 H new ATOM 0 HG2 ARG A 193 4.264 3.584 -6.828 1.00 0.00 H new ATOM 0 HG3 ARG A 193 5.026 2.016 -6.642 1.00 0.00 H new ATOM 0 HD2 ARG A 193 5.792 2.224 -9.071 1.00 0.00 H new ATOM 0 HD3 ARG A 193 5.229 3.883 -9.026 1.00 0.00 H new ATOM 0 HE ARG A 193 7.033 3.262 -6.817 1.00 0.00 H new ATOM 0 HH11 ARG A 193 6.815 4.165 -10.222 1.00 0.00 H new ATOM 0 HH12 ARG A 193 8.408 4.930 -10.242 1.00 0.00 H new ATOM 0 HH21 ARG A 193 9.075 4.253 -6.844 1.00 0.00 H new ATOM 0 HH22 ARG A 193 9.683 4.980 -8.335 1.00 0.00 H new ATOM 604 N ALA A 194 2.581 0.233 -5.494 1.00 0.00 N ATOM 605 CA ALA A 194 2.683 -0.069 -4.075 1.00 0.00 C ATOM 606 C ALA A 194 3.242 -1.462 -3.844 1.00 0.00 C ATOM 607 O ALA A 194 3.921 -1.712 -2.849 1.00 0.00 O ATOM 608 CB ALA A 194 1.311 0.033 -3.433 1.00 0.00 C ATOM 0 H ALA A 194 1.640 0.489 -5.792 1.00 0.00 H new ATOM 0 HA ALA A 194 3.364 0.653 -3.625 1.00 0.00 H new ATOM 0 HB1 ALA A 194 1.389 -0.194 -2.370 1.00 0.00 H new ATOM 0 HB2 ALA A 194 0.924 1.044 -3.561 1.00 0.00 H new ATOM 0 HB3 ALA A 194 0.634 -0.678 -3.907 1.00 0.00 H new ATOM 614 N VAL A 195 2.936 -2.376 -4.757 1.00 0.00 N ATOM 615 CA VAL A 195 3.397 -3.743 -4.624 1.00 0.00 C ATOM 616 C VAL A 195 4.706 -3.952 -5.337 1.00 0.00 C ATOM 617 O VAL A 195 5.588 -4.644 -4.839 1.00 0.00 O ATOM 618 CB VAL A 195 2.338 -4.743 -5.093 1.00 0.00 C ATOM 619 CG1 VAL A 195 2.090 -4.655 -6.576 1.00 0.00 C ATOM 620 CG2 VAL A 195 2.711 -6.155 -4.673 1.00 0.00 C ATOM 0 H VAL A 195 2.375 -2.193 -5.589 1.00 0.00 H new ATOM 0 HA VAL A 195 3.568 -3.927 -3.563 1.00 0.00 H new ATOM 0 HB VAL A 195 1.400 -4.479 -4.605 1.00 0.00 H new ATOM 0 HG11 VAL A 195 1.331 -5.383 -6.862 1.00 0.00 H new ATOM 0 HG12 VAL A 195 1.744 -3.653 -6.828 1.00 0.00 H new ATOM 0 HG13 VAL A 195 3.015 -4.865 -7.113 1.00 0.00 H new ATOM 0 HG21 VAL A 195 1.945 -6.851 -5.016 1.00 0.00 H new ATOM 0 HG22 VAL A 195 3.670 -6.425 -5.115 1.00 0.00 H new ATOM 0 HG23 VAL A 195 2.785 -6.204 -3.587 1.00 0.00 H new ATOM 630 N GLU A 196 4.876 -3.275 -6.449 1.00 0.00 N ATOM 631 CA GLU A 196 6.154 -3.330 -7.132 1.00 0.00 C ATOM 632 C GLU A 196 7.162 -2.769 -6.141 1.00 0.00 C ATOM 633 O GLU A 196 8.358 -3.054 -6.194 1.00 0.00 O ATOM 634 CB GLU A 196 6.136 -2.510 -8.423 1.00 0.00 C ATOM 635 CG GLU A 196 7.474 -2.488 -9.147 1.00 0.00 C ATOM 636 CD GLU A 196 7.990 -3.877 -9.462 1.00 0.00 C ATOM 637 OE1 GLU A 196 7.460 -4.510 -10.399 1.00 0.00 O ATOM 638 OE2 GLU A 196 8.927 -4.334 -8.773 1.00 0.00 O ATOM 0 H GLU A 196 4.167 -2.692 -6.894 1.00 0.00 H new ATOM 0 HA GLU A 196 6.403 -4.348 -7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 196 5.377 -2.916 -9.091 1.00 0.00 H new ATOM 0 HB3 GLU A 196 5.841 -1.487 -8.190 1.00 0.00 H new ATOM 0 HG2 GLU A 196 7.372 -1.924 -10.074 1.00 0.00 H new ATOM 0 HG3 GLU A 196 8.206 -1.963 -8.533 1.00 0.00 H new ATOM 645 N TYR A 197 6.615 -2.002 -5.191 1.00 0.00 N ATOM 646 CA TYR A 197 7.368 -1.418 -4.112 1.00 0.00 C ATOM 647 C TYR A 197 7.584 -2.487 -3.063 1.00 0.00 C ATOM 648 O TYR A 197 8.705 -2.741 -2.622 1.00 0.00 O ATOM 649 CB TYR A 197 6.580 -0.258 -3.519 1.00 0.00 C ATOM 650 CG TYR A 197 7.440 0.914 -3.185 1.00 0.00 C ATOM 651 CD1 TYR A 197 7.688 1.880 -4.140 1.00 0.00 C ATOM 652 CD2 TYR A 197 8.003 1.050 -1.930 1.00 0.00 C ATOM 653 CE1 TYR A 197 8.490 2.977 -3.855 1.00 0.00 C ATOM 654 CE2 TYR A 197 8.809 2.143 -1.628 1.00 0.00 C ATOM 655 CZ TYR A 197 9.044 3.101 -2.597 1.00 0.00 C ATOM 656 OH TYR A 197 9.842 4.184 -2.306 1.00 0.00 O ATOM 0 H TYR A 197 5.621 -1.775 -5.164 1.00 0.00 H new ATOM 0 HA TYR A 197 8.328 -1.044 -4.468 1.00 0.00 H new ATOM 0 HB2 TYR A 197 5.810 0.052 -4.226 1.00 0.00 H new ATOM 0 HB3 TYR A 197 6.068 -0.596 -2.618 1.00 0.00 H new ATOM 0 HD1 TYR A 197 7.252 1.781 -5.123 1.00 0.00 H new ATOM 0 HD2 TYR A 197 7.815 0.300 -1.176 1.00 0.00 H new ATOM 0 HE1 TYR A 197 8.678 3.726 -4.610 1.00 0.00 H new ATOM 0 HE2 TYR A 197 9.247 2.242 -0.646 1.00 0.00 H new ATOM 0 HH TYR A 197 9.326 5.010 -2.417 1.00 0.00 H new ATOM 666 N LEU A 198 6.486 -3.148 -2.718 1.00 0.00 N ATOM 667 CA LEU A 198 6.519 -4.244 -1.772 1.00 0.00 C ATOM 668 C LEU A 198 7.710 -5.129 -2.115 1.00 0.00 C ATOM 669 O LEU A 198 8.321 -5.763 -1.255 1.00 0.00 O ATOM 670 CB LEU A 198 5.243 -5.064 -1.934 1.00 0.00 C ATOM 671 CG LEU A 198 4.117 -4.866 -0.904 1.00 0.00 C ATOM 672 CD1 LEU A 198 4.448 -3.788 0.103 1.00 0.00 C ATOM 673 CD2 LEU A 198 2.820 -4.529 -1.609 1.00 0.00 C ATOM 0 H LEU A 198 5.558 -2.938 -3.085 1.00 0.00 H new ATOM 0 HA LEU A 198 6.599 -3.869 -0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 198 4.833 -4.851 -2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 198 5.521 -6.118 -1.925 1.00 0.00 H new ATOM 0 HG LEU A 198 4.008 -5.804 -0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 198 3.624 -3.684 0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 198 5.356 -4.060 0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 198 4.603 -2.842 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 198 2.030 -4.391 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 198 2.946 -3.610 -2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 198 2.550 -5.343 -2.282 1.00 0.00 H new ATOM 685 N LEU A 199 8.003 -5.157 -3.411 1.00 0.00 N ATOM 686 CA LEU A 199 9.086 -5.943 -3.974 1.00 0.00 C ATOM 687 C LEU A 199 10.441 -5.299 -3.697 1.00 0.00 C ATOM 688 O LEU A 199 11.236 -5.813 -2.909 1.00 0.00 O ATOM 689 CB LEU A 199 8.859 -6.072 -5.486 1.00 0.00 C ATOM 690 CG LEU A 199 7.783 -7.077 -5.916 1.00 0.00 C ATOM 691 CD1 LEU A 199 8.335 -8.027 -6.965 1.00 0.00 C ATOM 692 CD2 LEU A 199 7.243 -7.855 -4.726 1.00 0.00 C ATOM 0 H LEU A 199 7.483 -4.624 -4.108 1.00 0.00 H new ATOM 0 HA LEU A 199 9.092 -6.928 -3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 199 8.591 -5.091 -5.879 1.00 0.00 H new ATOM 0 HB3 LEU A 199 9.802 -6.356 -5.953 1.00 0.00 H new ATOM 0 HG LEU A 199 6.956 -6.515 -6.350 1.00 0.00 H new ATOM 0 HD11 LEU A 199 7.559 -8.734 -7.260 1.00 0.00 H new ATOM 0 HD12 LEU A 199 8.658 -7.458 -7.837 1.00 0.00 H new ATOM 0 HD13 LEU A 199 9.184 -8.571 -6.552 1.00 0.00 H new ATOM 0 HD21 LEU A 199 6.483 -8.558 -5.066 1.00 0.00 H new ATOM 0 HD22 LEU A 199 8.056 -8.402 -4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 199 6.802 -7.163 -4.008 1.00 0.00 H new ATOM 704 N THR A 200 10.701 -4.173 -4.355 1.00 0.00 N ATOM 705 CA THR A 200 11.961 -3.456 -4.188 1.00 0.00 C ATOM 706 C THR A 200 12.472 -3.567 -2.755 1.00 0.00 C ATOM 707 O THR A 200 13.572 -4.072 -2.517 1.00 0.00 O ATOM 708 CB THR A 200 11.790 -1.986 -4.568 1.00 0.00 C ATOM 709 OG1 THR A 200 11.269 -1.242 -3.481 1.00 0.00 O ATOM 710 CG2 THR A 200 10.868 -1.777 -5.749 1.00 0.00 C ATOM 0 H THR A 200 10.053 -3.736 -5.011 1.00 0.00 H new ATOM 0 HA THR A 200 12.697 -3.913 -4.850 1.00 0.00 H new ATOM 0 HB THR A 200 12.788 -1.642 -4.839 1.00 0.00 H new ATOM 0 HG1 THR A 200 10.447 -1.666 -3.159 1.00 0.00 H new ATOM 0 HG21 THR A 200 10.791 -0.712 -5.966 1.00 0.00 H new ATOM 0 HG22 THR A 200 11.268 -2.297 -6.620 1.00 0.00 H new ATOM 0 HG23 THR A 200 9.880 -2.172 -5.513 1.00 0.00 H new