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 166 MET CE :methyl -129:sc= -1.68 (180deg=-1.26) USER MOD Set 1.2: A 189 ASN : amide:sc= -2.08 K(o=-3.8,f=-8.3!) USER MOD Single : A 165 THR OG1 : rot 180:sc= 0 USER MOD Single : A 168 THR OG1 : rot 180:sc= 0 USER MOD Single : A 171 MET CE :methyl -144:sc= -11! (180deg=-13.8!) USER MOD Single : A 172 SER OG : rot 60:sc= 1.33 USER MOD Single : A 173 MET CE :methyl 176:sc= -8.18! (180deg=-9.39!) USER MOD Single : A 175 TYR OH : rot 180:sc= -1.49 USER MOD Single : A 187 SER OG : rot 82:sc= -2.29! USER MOD Single : A 188 TYR OH : rot 180:sc= 0 USER MOD Single : A 190 ASN : amide:sc= -8.59! C(o=-8.6!,f=-8.6!) USER MOD Single : A 192 HIS : no HD1:sc= -0.0468 X(o=-0.047,f=-0.00045) USER MOD Single : A 197 TYR OH : rot 180:sc= -0.421 USER MOD Single : A 200 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 120 N GLU A 164 -7.517 1.733 1.517 1.00 0.00 N ATOM 121 CA GLU A 164 -7.648 0.454 2.190 1.00 0.00 C ATOM 122 C GLU A 164 -7.984 -0.648 1.193 1.00 0.00 C ATOM 123 O GLU A 164 -7.748 -1.825 1.457 1.00 0.00 O ATOM 124 CB GLU A 164 -8.727 0.532 3.272 1.00 0.00 C ATOM 125 CG GLU A 164 -8.181 0.850 4.652 1.00 0.00 C ATOM 126 CD GLU A 164 -8.958 0.164 5.757 1.00 0.00 C ATOM 127 OE1 GLU A 164 -9.313 -1.020 5.585 1.00 0.00 O ATOM 128 OE2 GLU A 164 -9.211 0.811 6.795 1.00 0.00 O ATOM 0 HA GLU A 164 -6.694 0.215 2.659 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -9.455 1.294 2.994 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -9.260 -0.418 3.311 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -7.136 0.545 4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -8.207 1.928 4.810 1.00 0.00 H new ATOM 135 N THR A 165 -8.529 -0.260 0.041 1.00 0.00 N ATOM 136 CA THR A 165 -8.877 -1.228 -0.993 1.00 0.00 C ATOM 137 C THR A 165 -7.622 -1.668 -1.732 1.00 0.00 C ATOM 138 O THR A 165 -7.552 -2.775 -2.264 1.00 0.00 O ATOM 139 CB THR A 165 -9.886 -0.642 -1.977 1.00 0.00 C ATOM 140 OG1 THR A 165 -10.969 -0.041 -1.291 1.00 0.00 O ATOM 141 CG2 THR A 165 -10.454 -1.681 -2.918 1.00 0.00 C ATOM 0 H THR A 165 -8.737 0.710 -0.197 1.00 0.00 H new ATOM 0 HA THR A 165 -9.336 -2.092 -0.513 1.00 0.00 H new ATOM 0 HB THR A 165 -9.337 0.099 -2.558 1.00 0.00 H new ATOM 0 HG1 THR A 165 -11.603 0.329 -1.940 1.00 0.00 H new ATOM 0 HG21 THR A 165 -11.166 -1.208 -3.595 1.00 0.00 H new ATOM 0 HG22 THR A 165 -9.646 -2.129 -3.496 1.00 0.00 H new ATOM 0 HG23 THR A 165 -10.961 -2.455 -2.342 1.00 0.00 H new ATOM 149 N MET A 166 -6.619 -0.801 -1.716 1.00 0.00 N ATOM 150 CA MET A 166 -5.341 -1.089 -2.332 1.00 0.00 C ATOM 151 C MET A 166 -4.680 -2.126 -1.501 1.00 0.00 C ATOM 152 O MET A 166 -4.186 -3.145 -1.972 1.00 0.00 O ATOM 153 CB MET A 166 -4.475 0.163 -2.315 1.00 0.00 C ATOM 154 CG MET A 166 -5.236 1.399 -2.703 1.00 0.00 C ATOM 155 SD MET A 166 -4.253 2.566 -3.660 1.00 0.00 S ATOM 156 CE MET A 166 -4.904 4.128 -3.075 1.00 0.00 C ATOM 0 H MET A 166 -6.673 0.118 -1.276 1.00 0.00 H new ATOM 0 HA MET A 166 -5.477 -1.422 -3.361 1.00 0.00 H new ATOM 0 HB2 MET A 166 -4.057 0.297 -1.317 1.00 0.00 H new ATOM 0 HB3 MET A 166 -3.636 0.029 -2.997 1.00 0.00 H new ATOM 0 HG2 MET A 166 -6.113 1.111 -3.283 1.00 0.00 H new ATOM 0 HG3 MET A 166 -5.598 1.893 -1.801 1.00 0.00 H new ATOM 0 HE1 MET A 166 -5.180 4.749 -3.927 1.00 0.00 H new ATOM 0 HE2 MET A 166 -5.784 3.947 -2.458 1.00 0.00 H new ATOM 0 HE3 MET A 166 -4.145 4.640 -2.484 1.00 0.00 H new ATOM 166 N LEU A 167 -4.709 -1.825 -0.236 1.00 0.00 N ATOM 167 CA LEU A 167 -4.150 -2.682 0.757 1.00 0.00 C ATOM 168 C LEU A 167 -4.706 -4.080 0.611 1.00 0.00 C ATOM 169 O LEU A 167 -3.959 -5.022 0.443 1.00 0.00 O ATOM 170 CB LEU A 167 -4.457 -2.134 2.139 1.00 0.00 C ATOM 171 CG LEU A 167 -4.119 -0.657 2.320 1.00 0.00 C ATOM 172 CD1 LEU A 167 -3.834 -0.368 3.797 1.00 0.00 C ATOM 173 CD2 LEU A 167 -2.855 -0.320 1.534 1.00 0.00 C ATOM 0 H LEU A 167 -5.125 -0.971 0.134 1.00 0.00 H new ATOM 0 HA LEU A 167 -3.069 -2.724 0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -5.517 -2.280 2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -3.904 -2.714 2.878 1.00 0.00 H new ATOM 0 HG LEU A 167 -4.962 -0.063 1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -3.593 0.688 3.921 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -4.714 -0.612 4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -2.992 -0.974 4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -2.616 0.735 1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -2.027 -0.928 1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -3.018 -0.527 0.476 1.00 0.00 H new ATOM 185 N THR A 168 -6.021 -4.189 0.685 1.00 0.00 N ATOM 186 CA THR A 168 -6.709 -5.468 0.584 1.00 0.00 C ATOM 187 C THR A 168 -6.372 -6.221 -0.707 1.00 0.00 C ATOM 188 O THR A 168 -6.192 -7.437 -0.675 1.00 0.00 O ATOM 189 CB THR A 168 -8.221 -5.251 0.709 1.00 0.00 C ATOM 190 OG1 THR A 168 -8.625 -5.328 2.063 1.00 0.00 O ATOM 191 CG2 THR A 168 -9.047 -6.248 -0.069 1.00 0.00 C ATOM 0 H THR A 168 -6.645 -3.393 0.817 1.00 0.00 H new ATOM 0 HA THR A 168 -6.360 -6.095 1.405 1.00 0.00 H new ATOM 0 HB THR A 168 -8.400 -4.260 0.292 1.00 0.00 H new ATOM 0 HG1 THR A 168 -9.593 -5.185 2.124 1.00 0.00 H new ATOM 0 HG21 THR A 168 -10.106 -6.030 0.069 1.00 0.00 H new ATOM 0 HG22 THR A 168 -8.797 -6.180 -1.128 1.00 0.00 H new ATOM 0 HG23 THR A 168 -8.835 -7.255 0.290 1.00 0.00 H new ATOM 199 N GLU A 169 -6.271 -5.529 -1.835 1.00 0.00 N ATOM 200 CA GLU A 169 -5.930 -6.216 -3.075 1.00 0.00 C ATOM 201 C GLU A 169 -4.502 -6.733 -2.958 1.00 0.00 C ATOM 202 O GLU A 169 -4.246 -7.937 -2.805 1.00 0.00 O ATOM 203 CB GLU A 169 -6.060 -5.269 -4.267 1.00 0.00 C ATOM 204 CG GLU A 169 -7.013 -5.771 -5.341 1.00 0.00 C ATOM 205 CD GLU A 169 -6.287 -6.246 -6.585 1.00 0.00 C ATOM 206 OE1 GLU A 169 -6.027 -5.409 -7.475 1.00 0.00 O ATOM 207 OE2 GLU A 169 -5.981 -7.454 -6.670 1.00 0.00 O ATOM 0 H GLU A 169 -6.415 -4.523 -1.919 1.00 0.00 H new ATOM 0 HA GLU A 169 -6.615 -7.048 -3.238 1.00 0.00 H new ATOM 0 HB2 GLU A 169 -6.404 -4.297 -3.913 1.00 0.00 H new ATOM 0 HB3 GLU A 169 -5.075 -5.117 -4.709 1.00 0.00 H new ATOM 0 HG2 GLU A 169 -7.611 -6.589 -4.938 1.00 0.00 H new ATOM 0 HG3 GLU A 169 -7.705 -4.973 -5.610 1.00 0.00 H new ATOM 214 N ILE A 170 -3.578 -5.793 -2.979 1.00 0.00 N ATOM 215 CA ILE A 170 -2.174 -6.096 -2.829 1.00 0.00 C ATOM 216 C ILE A 170 -1.969 -6.976 -1.608 1.00 0.00 C ATOM 217 O ILE A 170 -1.006 -7.735 -1.515 1.00 0.00 O ATOM 218 CB ILE A 170 -1.373 -4.791 -2.703 1.00 0.00 C ATOM 219 CG1 ILE A 170 -1.655 -3.937 -3.934 1.00 0.00 C ATOM 220 CG2 ILE A 170 0.103 -5.081 -2.578 1.00 0.00 C ATOM 221 CD1 ILE A 170 -1.662 -2.449 -3.678 1.00 0.00 C ATOM 0 H ILE A 170 -3.781 -4.801 -3.100 1.00 0.00 H new ATOM 0 HA ILE A 170 -1.819 -6.635 -3.707 1.00 0.00 H new ATOM 0 HB ILE A 170 -1.676 -4.254 -1.804 1.00 0.00 H new ATOM 0 HG12 ILE A 170 -0.905 -4.158 -4.693 1.00 0.00 H new ATOM 0 HG13 ILE A 170 -2.621 -4.226 -4.347 1.00 0.00 H new ATOM 0 HG21 ILE A 170 0.652 -4.143 -2.490 1.00 0.00 H new ATOM 0 HG22 ILE A 170 0.280 -5.690 -1.692 1.00 0.00 H new ATOM 0 HG23 ILE A 170 0.444 -5.619 -3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 170 -1.870 -1.921 -4.608 1.00 0.00 H new ATOM 0 HD12 ILE A 170 -2.432 -2.210 -2.944 1.00 0.00 H new ATOM 0 HD13 ILE A 170 -0.689 -2.141 -3.296 1.00 0.00 H new ATOM 233 N MET A 171 -2.919 -6.890 -0.690 1.00 0.00 N ATOM 234 CA MET A 171 -2.891 -7.693 0.525 1.00 0.00 C ATOM 235 C MET A 171 -2.925 -9.159 0.156 1.00 0.00 C ATOM 236 O MET A 171 -1.939 -9.875 0.289 1.00 0.00 O ATOM 237 CB MET A 171 -4.098 -7.376 1.406 1.00 0.00 C ATOM 238 CG MET A 171 -3.760 -6.482 2.565 1.00 0.00 C ATOM 239 SD MET A 171 -4.925 -6.604 3.928 1.00 0.00 S ATOM 240 CE MET A 171 -5.100 -4.866 4.315 1.00 0.00 C ATOM 0 H MET A 171 -3.724 -6.268 -0.763 1.00 0.00 H new ATOM 0 HA MET A 171 -1.979 -7.462 1.075 1.00 0.00 H new ATOM 0 HB2 MET A 171 -4.868 -6.900 0.800 1.00 0.00 H new ATOM 0 HB3 MET A 171 -4.520 -8.307 1.784 1.00 0.00 H new ATOM 0 HG2 MET A 171 -2.762 -6.731 2.927 1.00 0.00 H new ATOM 0 HG3 MET A 171 -3.725 -5.449 2.219 1.00 0.00 H new ATOM 0 HE1 MET A 171 -5.208 -4.742 5.393 1.00 0.00 H new ATOM 0 HE2 MET A 171 -4.216 -4.327 3.975 1.00 0.00 H new ATOM 0 HE3 MET A 171 -5.983 -4.469 3.814 1.00 0.00 H new ATOM 250 N SER A 172 -4.073 -9.591 -0.342 1.00 0.00 N ATOM 251 CA SER A 172 -4.237 -10.973 -0.776 1.00 0.00 C ATOM 252 C SER A 172 -2.947 -11.439 -1.434 1.00 0.00 C ATOM 253 O SER A 172 -2.590 -12.618 -1.380 1.00 0.00 O ATOM 254 CB SER A 172 -5.406 -11.095 -1.754 1.00 0.00 C ATOM 255 OG SER A 172 -5.984 -9.828 -2.020 1.00 0.00 O ATOM 0 H SER A 172 -4.903 -9.009 -0.456 1.00 0.00 H new ATOM 0 HA SER A 172 -4.456 -11.600 0.088 1.00 0.00 H new ATOM 0 HB2 SER A 172 -5.060 -11.543 -2.685 1.00 0.00 H new ATOM 0 HB3 SER A 172 -6.162 -11.763 -1.341 1.00 0.00 H new ATOM 0 HG SER A 172 -5.310 -9.238 -2.418 1.00 0.00 H new ATOM 261 N MET A 173 -2.238 -10.486 -2.041 1.00 0.00 N ATOM 262 CA MET A 173 -0.975 -10.747 -2.697 1.00 0.00 C ATOM 263 C MET A 173 0.178 -10.828 -1.690 1.00 0.00 C ATOM 264 O MET A 173 1.283 -10.361 -1.969 1.00 0.00 O ATOM 265 CB MET A 173 -0.708 -9.626 -3.688 1.00 0.00 C ATOM 266 CG MET A 173 -1.146 -9.961 -5.092 1.00 0.00 C ATOM 267 SD MET A 173 -0.039 -9.298 -6.347 1.00 0.00 S ATOM 268 CE MET A 173 0.005 -7.575 -5.862 1.00 0.00 C ATOM 0 H MET A 173 -2.533 -9.511 -2.086 1.00 0.00 H new ATOM 0 HA MET A 173 -1.036 -11.709 -3.206 1.00 0.00 H new ATOM 0 HB2 MET A 173 -1.226 -8.726 -3.357 1.00 0.00 H new ATOM 0 HB3 MET A 173 0.358 -9.398 -3.691 1.00 0.00 H new ATOM 0 HG2 MET A 173 -1.204 -11.044 -5.201 1.00 0.00 H new ATOM 0 HG3 MET A 173 -2.150 -9.570 -5.257 1.00 0.00 H new ATOM 0 HE1 MET A 173 0.706 -7.036 -6.499 1.00 0.00 H new ATOM 0 HE2 MET A 173 -0.989 -7.141 -5.969 1.00 0.00 H new ATOM 0 HE3 MET A 173 0.325 -7.498 -4.823 1.00 0.00 H new ATOM 278 N GLY A 174 -0.080 -11.419 -0.525 1.00 0.00 N ATOM 279 CA GLY A 174 0.954 -11.541 0.488 1.00 0.00 C ATOM 280 C GLY A 174 1.598 -10.211 0.831 1.00 0.00 C ATOM 281 O GLY A 174 2.823 -10.100 0.865 1.00 0.00 O ATOM 0 H GLY A 174 -0.984 -11.814 -0.266 1.00 0.00 H new ATOM 0 HA2 GLY A 174 0.523 -11.975 1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 174 1.721 -12.232 0.137 1.00 0.00 H new ATOM 285 N TYR A 175 0.772 -9.198 1.081 1.00 0.00 N ATOM 286 CA TYR A 175 1.272 -7.871 1.413 1.00 0.00 C ATOM 287 C TYR A 175 0.371 -7.167 2.429 1.00 0.00 C ATOM 288 O TYR A 175 -0.517 -6.400 2.061 1.00 0.00 O ATOM 289 CB TYR A 175 1.386 -7.023 0.152 1.00 0.00 C ATOM 290 CG TYR A 175 2.229 -7.659 -0.937 1.00 0.00 C ATOM 291 CD1 TYR A 175 3.500 -8.144 -0.660 1.00 0.00 C ATOM 292 CD2 TYR A 175 1.759 -7.778 -2.244 1.00 0.00 C ATOM 293 CE1 TYR A 175 4.278 -8.725 -1.642 1.00 0.00 C ATOM 294 CE2 TYR A 175 2.532 -8.360 -3.231 1.00 0.00 C ATOM 295 CZ TYR A 175 3.789 -8.831 -2.925 1.00 0.00 C ATOM 296 OH TYR A 175 4.562 -9.410 -3.905 1.00 0.00 O ATOM 0 H TYR A 175 -0.245 -9.273 1.059 1.00 0.00 H new ATOM 0 HA TYR A 175 2.258 -7.992 1.863 1.00 0.00 H new ATOM 0 HB2 TYR A 175 0.386 -6.833 -0.239 1.00 0.00 H new ATOM 0 HB3 TYR A 175 1.815 -6.056 0.413 1.00 0.00 H new ATOM 0 HD1 TYR A 175 3.889 -8.065 0.345 1.00 0.00 H new ATOM 0 HD2 TYR A 175 0.774 -7.409 -2.490 1.00 0.00 H new ATOM 0 HE1 TYR A 175 5.265 -9.094 -1.405 1.00 0.00 H new ATOM 0 HE2 TYR A 175 2.152 -8.445 -4.238 1.00 0.00 H new ATOM 0 HH TYR A 175 4.071 -9.408 -4.753 1.00 0.00 H new ATOM 306 N GLU A 176 0.615 -7.423 3.711 1.00 0.00 N ATOM 307 CA GLU A 176 -0.167 -6.811 4.782 1.00 0.00 C ATOM 308 C GLU A 176 -0.544 -5.370 4.451 1.00 0.00 C ATOM 309 O GLU A 176 0.130 -4.696 3.673 1.00 0.00 O ATOM 310 CB GLU A 176 0.612 -6.856 6.095 1.00 0.00 C ATOM 311 CG GLU A 176 -0.277 -6.960 7.325 1.00 0.00 C ATOM 312 CD GLU A 176 -0.375 -5.651 8.085 1.00 0.00 C ATOM 313 OE1 GLU A 176 0.510 -5.384 8.923 1.00 0.00 O ATOM 314 OE2 GLU A 176 -1.338 -4.894 7.838 1.00 0.00 O ATOM 0 H GLU A 176 1.350 -8.052 4.035 1.00 0.00 H new ATOM 0 HA GLU A 176 -1.089 -7.383 4.887 1.00 0.00 H new ATOM 0 HB2 GLU A 176 1.293 -7.707 6.075 1.00 0.00 H new ATOM 0 HB3 GLU A 176 1.226 -5.959 6.175 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -1.275 -7.276 7.022 1.00 0.00 H new ATOM 0 HG3 GLU A 176 0.114 -7.732 7.987 1.00 0.00 H new ATOM 321 N ARG A 177 -1.635 -4.916 5.055 1.00 0.00 N ATOM 322 CA ARG A 177 -2.142 -3.564 4.849 1.00 0.00 C ATOM 323 C ARG A 177 -1.062 -2.514 5.063 1.00 0.00 C ATOM 324 O ARG A 177 -1.056 -1.477 4.409 1.00 0.00 O ATOM 325 CB ARG A 177 -3.317 -3.310 5.809 1.00 0.00 C ATOM 326 CG ARG A 177 -3.063 -2.282 6.903 1.00 0.00 C ATOM 327 CD ARG A 177 -3.816 -2.647 8.160 1.00 0.00 C ATOM 328 NE ARG A 177 -4.441 -1.486 8.788 1.00 0.00 N ATOM 329 CZ ARG A 177 -5.523 -1.558 9.557 1.00 0.00 C ATOM 330 NH1 ARG A 177 -6.093 -2.730 9.793 1.00 0.00 N ATOM 331 NH2 ARG A 177 -6.033 -0.456 10.090 1.00 0.00 N ATOM 0 H ARG A 177 -2.193 -5.474 5.701 1.00 0.00 H new ATOM 0 HA ARG A 177 -2.477 -3.482 3.815 1.00 0.00 H new ATOM 0 HB2 ARG A 177 -4.177 -2.986 5.224 1.00 0.00 H new ATOM 0 HB3 ARG A 177 -3.589 -4.255 6.279 1.00 0.00 H new ATOM 0 HG2 ARG A 177 -1.995 -2.225 7.116 1.00 0.00 H new ATOM 0 HG3 ARG A 177 -3.373 -1.295 6.561 1.00 0.00 H new ATOM 0 HD2 ARG A 177 -4.582 -3.384 7.921 1.00 0.00 H new ATOM 0 HD3 ARG A 177 -3.132 -3.116 8.867 1.00 0.00 H new ATOM 0 HE ARG A 177 -4.024 -0.569 8.628 1.00 0.00 H new ATOM 0 HH11 ARG A 177 -5.702 -3.579 9.385 1.00 0.00 H new ATOM 0 HH12 ARG A 177 -6.923 -2.784 10.383 1.00 0.00 H new ATOM 0 HH21 ARG A 177 -5.595 0.447 9.910 1.00 0.00 H new ATOM 0 HH22 ARG A 177 -6.863 -0.512 10.680 1.00 0.00 H new ATOM 345 N GLU A 178 -0.199 -2.760 6.031 1.00 0.00 N ATOM 346 CA GLU A 178 0.839 -1.797 6.380 1.00 0.00 C ATOM 347 C GLU A 178 2.006 -1.758 5.396 1.00 0.00 C ATOM 348 O GLU A 178 2.617 -0.709 5.207 1.00 0.00 O ATOM 349 CB GLU A 178 1.359 -2.066 7.792 1.00 0.00 C ATOM 350 CG GLU A 178 2.118 -0.895 8.394 1.00 0.00 C ATOM 351 CD GLU A 178 3.094 -1.325 9.471 1.00 0.00 C ATOM 352 OE1 GLU A 178 3.403 -2.534 9.544 1.00 0.00 O ATOM 353 OE2 GLU A 178 3.549 -0.454 10.241 1.00 0.00 O ATOM 0 H GLU A 178 -0.192 -3.613 6.590 1.00 0.00 H new ATOM 0 HA GLU A 178 0.364 -0.817 6.332 1.00 0.00 H new ATOM 0 HB2 GLU A 178 0.518 -2.314 8.439 1.00 0.00 H new ATOM 0 HB3 GLU A 178 2.012 -2.939 7.770 1.00 0.00 H new ATOM 0 HG2 GLU A 178 2.660 -0.374 7.605 1.00 0.00 H new ATOM 0 HG3 GLU A 178 1.407 -0.184 8.816 1.00 0.00 H new ATOM 360 N ARG A 179 2.334 -2.884 4.785 1.00 0.00 N ATOM 361 CA ARG A 179 3.438 -2.930 3.848 1.00 0.00 C ATOM 362 C ARG A 179 3.090 -2.218 2.553 1.00 0.00 C ATOM 363 O ARG A 179 3.927 -1.572 1.927 1.00 0.00 O ATOM 364 CB ARG A 179 3.788 -4.380 3.552 1.00 0.00 C ATOM 365 CG ARG A 179 4.469 -5.097 4.705 1.00 0.00 C ATOM 366 CD ARG A 179 4.736 -6.556 4.373 1.00 0.00 C ATOM 367 NE ARG A 179 5.509 -7.223 5.417 1.00 0.00 N ATOM 368 CZ ARG A 179 4.970 -7.725 6.522 1.00 0.00 C ATOM 369 NH1 ARG A 179 3.663 -7.635 6.725 1.00 0.00 N ATOM 370 NH2 ARG A 179 5.738 -8.319 7.426 1.00 0.00 N ATOM 0 H ARG A 179 1.853 -3.773 4.921 1.00 0.00 H new ATOM 0 HA ARG A 179 4.291 -2.422 4.297 1.00 0.00 H new ATOM 0 HB2 ARG A 179 2.876 -4.917 3.291 1.00 0.00 H new ATOM 0 HB3 ARG A 179 4.440 -4.415 2.679 1.00 0.00 H new ATOM 0 HG2 ARG A 179 5.409 -4.598 4.941 1.00 0.00 H new ATOM 0 HG3 ARG A 179 3.843 -5.034 5.595 1.00 0.00 H new ATOM 0 HD2 ARG A 179 3.788 -7.076 4.236 1.00 0.00 H new ATOM 0 HD3 ARG A 179 5.274 -6.620 3.427 1.00 0.00 H new ATOM 0 HE ARG A 179 6.518 -7.308 5.291 1.00 0.00 H new ATOM 0 HH11 ARG A 179 3.069 -7.180 6.032 1.00 0.00 H new ATOM 0 HH12 ARG A 179 3.251 -8.021 7.574 1.00 0.00 H new ATOM 0 HH21 ARG A 179 6.744 -8.391 7.273 1.00 0.00 H new ATOM 0 HH22 ARG A 179 5.323 -8.704 8.274 1.00 0.00 H new ATOM 384 N VAL A 180 1.846 -2.359 2.170 1.00 0.00 N ATOM 385 CA VAL A 180 1.343 -1.764 0.942 1.00 0.00 C ATOM 386 C VAL A 180 0.924 -0.329 1.160 1.00 0.00 C ATOM 387 O VAL A 180 1.216 0.523 0.330 1.00 0.00 O ATOM 388 CB VAL A 180 0.221 -2.633 0.337 1.00 0.00 C ATOM 389 CG1 VAL A 180 -0.385 -3.524 1.403 1.00 0.00 C ATOM 390 CG2 VAL A 180 -0.826 -1.798 -0.376 1.00 0.00 C ATOM 0 H VAL A 180 1.149 -2.887 2.695 1.00 0.00 H new ATOM 0 HA VAL A 180 2.151 -1.736 0.211 1.00 0.00 H new ATOM 0 HB VAL A 180 0.663 -3.274 -0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -1.175 -4.132 0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 180 0.386 -4.175 1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -0.802 -2.907 2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -1.596 -2.452 -0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -1.279 -1.102 0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -0.356 -1.239 -1.185 1.00 0.00 H new ATOM 400 N VAL A 181 0.294 -0.045 2.284 1.00 0.00 N ATOM 401 CA VAL A 181 -0.094 1.318 2.584 1.00 0.00 C ATOM 402 C VAL A 181 1.154 2.142 2.794 1.00 0.00 C ATOM 403 O VAL A 181 1.252 3.280 2.346 1.00 0.00 O ATOM 404 CB VAL A 181 -1.015 1.409 3.811 1.00 0.00 C ATOM 405 CG1 VAL A 181 -0.228 1.632 5.091 1.00 0.00 C ATOM 406 CG2 VAL A 181 -2.010 2.516 3.639 1.00 0.00 C ATOM 0 H VAL A 181 0.043 -0.731 2.996 1.00 0.00 H new ATOM 0 HA VAL A 181 -0.665 1.706 1.741 1.00 0.00 H new ATOM 0 HB VAL A 181 -1.538 0.456 3.892 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -0.915 1.691 5.935 1.00 0.00 H new ATOM 0 HG12 VAL A 181 0.463 0.803 5.243 1.00 0.00 H new ATOM 0 HG13 VAL A 181 0.334 2.563 5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -2.654 2.566 4.517 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -1.484 3.463 3.521 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -2.617 2.325 2.754 1.00 0.00 H new ATOM 416 N ALA A 182 2.127 1.522 3.429 1.00 0.00 N ATOM 417 CA ALA A 182 3.413 2.156 3.639 1.00 0.00 C ATOM 418 C ALA A 182 4.089 2.223 2.289 1.00 0.00 C ATOM 419 O ALA A 182 4.872 3.130 2.008 1.00 0.00 O ATOM 420 CB ALA A 182 4.261 1.367 4.650 1.00 0.00 C ATOM 0 H ALA A 182 2.052 0.579 3.809 1.00 0.00 H new ATOM 0 HA ALA A 182 3.290 3.155 4.058 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.220 1.866 4.788 1.00 0.00 H new ATOM 0 HB2 ALA A 182 3.737 1.318 5.605 1.00 0.00 H new ATOM 0 HB3 ALA A 182 4.428 0.357 4.275 1.00 0.00 H new ATOM 426 N ALA A 183 3.724 1.271 1.431 1.00 0.00 N ATOM 427 CA ALA A 183 4.235 1.243 0.081 1.00 0.00 C ATOM 428 C ALA A 183 3.477 2.265 -0.745 1.00 0.00 C ATOM 429 O ALA A 183 3.937 2.689 -1.800 1.00 0.00 O ATOM 430 CB ALA A 183 4.108 -0.141 -0.524 1.00 0.00 C ATOM 0 H ALA A 183 3.077 0.515 1.656 1.00 0.00 H new ATOM 0 HA ALA A 183 5.296 1.492 0.091 1.00 0.00 H new ATOM 0 HB1 ALA A 183 4.501 -0.131 -1.541 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.673 -0.854 0.076 1.00 0.00 H new ATOM 0 HB3 ALA A 183 3.058 -0.435 -0.543 1.00 0.00 H new ATOM 436 N LEU A 184 2.324 2.694 -0.223 1.00 0.00 N ATOM 437 CA LEU A 184 1.529 3.711 -0.879 1.00 0.00 C ATOM 438 C LEU A 184 2.213 5.036 -0.623 1.00 0.00 C ATOM 439 O LEU A 184 2.452 5.809 -1.534 1.00 0.00 O ATOM 440 CB LEU A 184 0.083 3.740 -0.349 1.00 0.00 C ATOM 441 CG LEU A 184 -0.780 2.512 -0.687 1.00 0.00 C ATOM 442 CD1 LEU A 184 -2.060 2.498 0.129 1.00 0.00 C ATOM 443 CD2 LEU A 184 -1.123 2.498 -2.163 1.00 0.00 C ATOM 0 H LEU A 184 1.929 2.347 0.651 1.00 0.00 H new ATOM 0 HA LEU A 184 1.460 3.499 -1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 184 0.116 3.850 0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -0.411 4.627 -0.745 1.00 0.00 H new ATOM 0 HG LEU A 184 -0.200 1.623 -0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -2.648 1.618 -0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -1.814 2.468 1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -2.638 3.397 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -1.734 1.623 -2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -1.677 3.402 -2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -0.205 2.459 -2.749 1.00 0.00 H new ATOM 455 N ARG A 185 2.590 5.259 0.628 1.00 0.00 N ATOM 456 CA ARG A 185 3.308 6.463 0.987 1.00 0.00 C ATOM 457 C ARG A 185 4.635 6.451 0.252 1.00 0.00 C ATOM 458 O ARG A 185 5.195 7.497 -0.075 1.00 0.00 O ATOM 459 CB ARG A 185 3.536 6.531 2.498 1.00 0.00 C ATOM 460 CG ARG A 185 2.345 6.055 3.313 1.00 0.00 C ATOM 461 CD ARG A 185 2.579 6.243 4.803 1.00 0.00 C ATOM 462 NE ARG A 185 1.414 5.854 5.593 1.00 0.00 N ATOM 463 CZ ARG A 185 1.216 6.238 6.849 1.00 0.00 C ATOM 464 NH1 ARG A 185 2.100 7.018 7.454 1.00 0.00 N ATOM 465 NH2 ARG A 185 0.130 5.841 7.500 1.00 0.00 N ATOM 0 H ARG A 185 2.410 4.623 1.404 1.00 0.00 H new ATOM 0 HA ARG A 185 2.726 7.341 0.705 1.00 0.00 H new ATOM 0 HB2 ARG A 185 4.406 5.926 2.754 1.00 0.00 H new ATOM 0 HB3 ARG A 185 3.769 7.559 2.776 1.00 0.00 H new ATOM 0 HG2 ARG A 185 1.453 6.605 3.011 1.00 0.00 H new ATOM 0 HG3 ARG A 185 2.157 5.002 3.103 1.00 0.00 H new ATOM 0 HD2 ARG A 185 3.441 5.651 5.112 1.00 0.00 H new ATOM 0 HD3 ARG A 185 2.821 7.287 5.003 1.00 0.00 H new ATOM 0 HE ARG A 185 0.714 5.254 5.156 1.00 0.00 H new ATOM 0 HH11 ARG A 185 2.935 7.325 6.955 1.00 0.00 H new ATOM 0 HH12 ARG A 185 1.945 7.311 8.419 1.00 0.00 H new ATOM 0 HH21 ARG A 185 -0.552 5.241 7.036 1.00 0.00 H new ATOM 0 HH22 ARG A 185 -0.023 6.136 8.465 1.00 0.00 H new ATOM 479 N ALA A 186 5.119 5.240 -0.020 1.00 0.00 N ATOM 480 CA ALA A 186 6.374 5.061 -0.737 1.00 0.00 C ATOM 481 C ALA A 186 6.132 4.951 -2.242 1.00 0.00 C ATOM 482 O ALA A 186 7.068 5.029 -3.036 1.00 0.00 O ATOM 483 CB ALA A 186 7.101 3.829 -0.223 1.00 0.00 C ATOM 0 H ALA A 186 4.659 4.370 0.247 1.00 0.00 H new ATOM 0 HA ALA A 186 6.998 5.937 -0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 186 8.038 3.706 -0.767 1.00 0.00 H new ATOM 0 HB2 ALA A 186 7.311 3.948 0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 186 6.476 2.949 -0.373 1.00 0.00 H new ATOM 489 N SER A 187 4.867 4.775 -2.631 1.00 0.00 N ATOM 490 CA SER A 187 4.507 4.659 -4.044 1.00 0.00 C ATOM 491 C SER A 187 3.615 5.821 -4.486 1.00 0.00 C ATOM 492 O SER A 187 3.145 5.855 -5.620 1.00 0.00 O ATOM 493 CB SER A 187 3.809 3.323 -4.325 1.00 0.00 C ATOM 494 OG SER A 187 4.633 2.230 -3.954 1.00 0.00 O ATOM 0 H SER A 187 4.078 4.710 -1.988 1.00 0.00 H new ATOM 0 HA SER A 187 5.431 4.697 -4.620 1.00 0.00 H new ATOM 0 HB2 SER A 187 2.869 3.277 -3.775 1.00 0.00 H new ATOM 0 HB3 SER A 187 3.562 3.254 -5.384 1.00 0.00 H new ATOM 0 HG SER A 187 4.553 2.072 -2.990 1.00 0.00 H new ATOM 500 N TYR A 188 3.396 6.777 -3.586 1.00 0.00 N ATOM 501 CA TYR A 188 2.574 7.954 -3.887 1.00 0.00 C ATOM 502 C TYR A 188 1.095 7.597 -4.074 1.00 0.00 C ATOM 503 O TYR A 188 0.504 7.907 -5.108 1.00 0.00 O ATOM 504 CB TYR A 188 3.094 8.644 -5.149 1.00 0.00 C ATOM 505 CG TYR A 188 4.494 9.212 -5.003 1.00 0.00 C ATOM 506 CD1 TYR A 188 5.613 8.383 -5.049 1.00 0.00 C ATOM 507 CD2 TYR A 188 4.700 10.575 -4.818 1.00 0.00 C ATOM 508 CE1 TYR A 188 6.888 8.897 -4.914 1.00 0.00 C ATOM 509 CE2 TYR A 188 5.974 11.094 -4.684 1.00 0.00 C ATOM 510 CZ TYR A 188 7.064 10.251 -4.732 1.00 0.00 C ATOM 511 OH TYR A 188 8.333 10.765 -4.599 1.00 0.00 O ATOM 0 H TYR A 188 3.776 6.762 -2.639 1.00 0.00 H new ATOM 0 HA TYR A 188 2.648 8.627 -3.033 1.00 0.00 H new ATOM 0 HB2 TYR A 188 3.086 7.930 -5.972 1.00 0.00 H new ATOM 0 HB3 TYR A 188 2.411 9.450 -5.419 1.00 0.00 H new ATOM 0 HD1 TYR A 188 5.481 7.321 -5.193 1.00 0.00 H new ATOM 0 HD2 TYR A 188 3.850 11.240 -4.778 1.00 0.00 H new ATOM 0 HE1 TYR A 188 7.744 8.239 -4.951 1.00 0.00 H new ATOM 0 HE2 TYR A 188 6.115 12.155 -4.542 1.00 0.00 H new ATOM 0 HH TYR A 188 8.282 11.736 -4.479 1.00 0.00 H new ATOM 521 N ASN A 189 0.497 6.964 -3.066 1.00 0.00 N ATOM 522 CA ASN A 189 -0.914 6.584 -3.107 1.00 0.00 C ATOM 523 C ASN A 189 -1.209 5.471 -4.108 1.00 0.00 C ATOM 524 O ASN A 189 -2.236 4.802 -3.994 1.00 0.00 O ATOM 525 CB ASN A 189 -1.769 7.795 -3.432 1.00 0.00 C ATOM 526 CG ASN A 189 -3.240 7.561 -3.142 1.00 0.00 C ATOM 527 OD1 ASN A 189 -3.870 6.684 -3.732 1.00 0.00 O ATOM 528 ND2 ASN A 189 -3.789 8.349 -2.230 1.00 0.00 N ATOM 0 H ASN A 189 0.973 6.701 -2.203 1.00 0.00 H new ATOM 0 HA ASN A 189 -1.159 6.198 -2.117 1.00 0.00 H new ATOM 0 HB2 ASN A 189 -1.419 8.649 -2.853 1.00 0.00 H new ATOM 0 HB3 ASN A 189 -1.645 8.051 -4.484 1.00 0.00 H new ATOM 0 HD21 ASN A 189 -4.775 8.242 -1.990 1.00 0.00 H new ATOM 0 HD22 ASN A 189 -3.226 9.063 -1.767 1.00 0.00 H new ATOM 535 N ASN A 190 -0.337 5.261 -5.086 1.00 0.00 N ATOM 536 CA ASN A 190 -0.582 4.219 -6.063 1.00 0.00 C ATOM 537 C ASN A 190 -0.630 2.864 -5.380 1.00 0.00 C ATOM 538 O ASN A 190 0.077 2.629 -4.404 1.00 0.00 O ATOM 539 CB ASN A 190 0.486 4.171 -7.151 1.00 0.00 C ATOM 540 CG ASN A 190 1.218 5.479 -7.379 1.00 0.00 C ATOM 541 OD1 ASN A 190 2.389 5.481 -7.760 1.00 0.00 O ATOM 542 ND2 ASN A 190 0.539 6.592 -7.171 1.00 0.00 N ATOM 0 H ASN A 190 0.526 5.787 -5.219 1.00 0.00 H new ATOM 0 HA ASN A 190 -1.538 4.453 -6.532 1.00 0.00 H new ATOM 0 HB2 ASN A 190 1.215 3.403 -6.892 1.00 0.00 H new ATOM 0 HB3 ASN A 190 0.019 3.864 -8.087 1.00 0.00 H new ATOM 0 HD21 ASN A 190 0.983 7.497 -7.326 1.00 0.00 H new ATOM 0 HD22 ASN A 190 -0.430 6.547 -6.855 1.00 0.00 H new ATOM 549 N PRO A 191 -1.463 1.958 -5.895 1.00 0.00 N ATOM 550 CA PRO A 191 -1.632 0.618 -5.366 1.00 0.00 C ATOM 551 C PRO A 191 -0.764 -0.387 -6.108 1.00 0.00 C ATOM 552 O PRO A 191 0.137 -0.995 -5.538 1.00 0.00 O ATOM 553 CB PRO A 191 -3.101 0.333 -5.645 1.00 0.00 C ATOM 554 CG PRO A 191 -3.557 1.404 -6.599 1.00 0.00 C ATOM 555 CD PRO A 191 -2.330 2.148 -7.043 1.00 0.00 C ATOM 0 HA PRO A 191 -1.350 0.541 -4.316 1.00 0.00 H new ATOM 0 HB2 PRO A 191 -3.230 -0.658 -6.080 1.00 0.00 H new ATOM 0 HB3 PRO A 191 -3.685 0.356 -4.725 1.00 0.00 H new ATOM 0 HG2 PRO A 191 -4.072 0.965 -7.453 1.00 0.00 H new ATOM 0 HG3 PRO A 191 -4.262 2.078 -6.113 1.00 0.00 H new ATOM 0 HD2 PRO A 191 -1.903 1.733 -7.956 1.00 0.00 H new ATOM 0 HD3 PRO A 191 -2.533 3.201 -7.237 1.00 0.00 H new ATOM 563 N HIS A 192 -1.045 -0.548 -7.395 1.00 0.00 N ATOM 564 CA HIS A 192 -0.284 -1.454 -8.228 1.00 0.00 C ATOM 565 C HIS A 192 1.199 -1.169 -8.043 1.00 0.00 C ATOM 566 O HIS A 192 1.990 -2.078 -7.810 1.00 0.00 O ATOM 567 CB HIS A 192 -0.680 -1.274 -9.691 1.00 0.00 C ATOM 568 CG HIS A 192 -0.498 -2.509 -10.518 1.00 0.00 C ATOM 569 ND1 HIS A 192 -1.100 -2.688 -11.747 1.00 0.00 N ATOM 570 CD2 HIS A 192 0.224 -3.632 -10.288 1.00 0.00 C ATOM 571 CE1 HIS A 192 -0.757 -3.867 -12.233 1.00 0.00 C ATOM 572 NE2 HIS A 192 0.046 -4.459 -11.370 1.00 0.00 N ATOM 0 H HIS A 192 -1.797 -0.059 -7.880 1.00 0.00 H new ATOM 0 HA HIS A 192 -0.493 -2.484 -7.939 1.00 0.00 H new ATOM 0 HB2 HIS A 192 -1.724 -0.964 -9.741 1.00 0.00 H new ATOM 0 HB3 HIS A 192 -0.087 -0.467 -10.122 1.00 0.00 H new ATOM 0 HD2 HIS A 192 0.827 -3.838 -9.416 1.00 0.00 H new ATOM 0 HE1 HIS A 192 -1.080 -4.278 -13.178 1.00 0.00 H new ATOM 0 HE2 HIS A 192 0.466 -5.381 -11.487 1.00 0.00 H new ATOM 580 N ARG A 193 1.554 0.114 -8.116 1.00 0.00 N ATOM 581 CA ARG A 193 2.935 0.540 -7.914 1.00 0.00 C ATOM 582 C ARG A 193 3.307 0.267 -6.468 1.00 0.00 C ATOM 583 O ARG A 193 4.459 -0.019 -6.143 1.00 0.00 O ATOM 584 CB ARG A 193 3.072 2.033 -8.238 1.00 0.00 C ATOM 585 CG ARG A 193 4.246 2.729 -7.572 1.00 0.00 C ATOM 586 CD ARG A 193 5.236 3.261 -8.590 1.00 0.00 C ATOM 587 NE ARG A 193 5.870 2.189 -9.352 1.00 0.00 N ATOM 588 CZ ARG A 193 7.104 2.259 -9.844 1.00 0.00 C ATOM 589 NH1 ARG A 193 7.835 3.352 -9.666 1.00 0.00 N ATOM 590 NH2 ARG A 193 7.607 1.235 -10.521 1.00 0.00 N ATOM 0 H ARG A 193 0.903 0.874 -8.313 1.00 0.00 H new ATOM 0 HA ARG A 193 3.606 -0.010 -8.575 1.00 0.00 H new ATOM 0 HB2 ARG A 193 3.166 2.148 -9.318 1.00 0.00 H new ATOM 0 HB3 ARG A 193 2.153 2.539 -7.942 1.00 0.00 H new ATOM 0 HG2 ARG A 193 3.880 3.551 -6.957 1.00 0.00 H new ATOM 0 HG3 ARG A 193 4.751 2.031 -6.904 1.00 0.00 H new ATOM 0 HD2 ARG A 193 4.724 3.937 -9.274 1.00 0.00 H new ATOM 0 HD3 ARG A 193 6.002 3.844 -8.079 1.00 0.00 H new ATOM 0 HE ARG A 193 5.335 1.336 -9.517 1.00 0.00 H new ATOM 0 HH11 ARG A 193 7.451 4.144 -9.150 1.00 0.00 H new ATOM 0 HH12 ARG A 193 8.781 3.400 -10.045 1.00 0.00 H new ATOM 0 HH21 ARG A 193 7.048 0.394 -10.664 1.00 0.00 H new ATOM 0 HH22 ARG A 193 8.553 1.289 -10.898 1.00 0.00 H new ATOM 604 N ALA A 194 2.291 0.334 -5.614 1.00 0.00 N ATOM 605 CA ALA A 194 2.448 0.073 -4.192 1.00 0.00 C ATOM 606 C ALA A 194 3.023 -1.314 -3.970 1.00 0.00 C ATOM 607 O ALA A 194 3.819 -1.533 -3.058 1.00 0.00 O ATOM 608 CB ALA A 194 1.100 0.180 -3.497 1.00 0.00 C ATOM 0 H ALA A 194 1.338 0.571 -5.890 1.00 0.00 H new ATOM 0 HA ALA A 194 3.133 0.812 -3.775 1.00 0.00 H new ATOM 0 HB1 ALA A 194 1.223 -0.016 -2.432 1.00 0.00 H new ATOM 0 HB2 ALA A 194 0.697 1.183 -3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 194 0.412 -0.550 -3.923 1.00 0.00 H new ATOM 614 N VAL A 195 2.599 -2.256 -4.807 1.00 0.00 N ATOM 615 CA VAL A 195 3.058 -3.625 -4.695 1.00 0.00 C ATOM 616 C VAL A 195 4.329 -3.846 -5.472 1.00 0.00 C ATOM 617 O VAL A 195 5.226 -4.551 -5.023 1.00 0.00 O ATOM 618 CB VAL A 195 1.974 -4.616 -5.123 1.00 0.00 C ATOM 619 CG1 VAL A 195 1.582 -4.442 -6.565 1.00 0.00 C ATOM 620 CG2 VAL A 195 2.409 -6.045 -4.831 1.00 0.00 C ATOM 0 H VAL A 195 1.939 -2.091 -5.567 1.00 0.00 H new ATOM 0 HA VAL A 195 3.277 -3.807 -3.643 1.00 0.00 H new ATOM 0 HB VAL A 195 1.083 -4.403 -4.532 1.00 0.00 H new ATOM 0 HG11 VAL A 195 0.810 -5.167 -6.822 1.00 0.00 H new ATOM 0 HG12 VAL A 195 1.198 -3.434 -6.719 1.00 0.00 H new ATOM 0 HG13 VAL A 195 2.454 -4.599 -7.200 1.00 0.00 H new ATOM 0 HG21 VAL A 195 1.625 -6.735 -5.142 1.00 0.00 H new ATOM 0 HG22 VAL A 195 3.325 -6.266 -5.379 1.00 0.00 H new ATOM 0 HG23 VAL A 195 2.589 -6.159 -3.762 1.00 0.00 H new ATOM 630 N GLU A 196 4.447 -3.172 -6.590 1.00 0.00 N ATOM 631 CA GLU A 196 5.686 -3.237 -7.344 1.00 0.00 C ATOM 632 C GLU A 196 6.761 -2.716 -6.403 1.00 0.00 C ATOM 633 O GLU A 196 7.943 -3.038 -6.514 1.00 0.00 O ATOM 634 CB GLU A 196 5.611 -2.392 -8.615 1.00 0.00 C ATOM 635 CG GLU A 196 6.717 -2.695 -9.612 1.00 0.00 C ATOM 636 CD GLU A 196 8.027 -2.022 -9.253 1.00 0.00 C ATOM 637 OE1 GLU A 196 8.098 -1.401 -8.172 1.00 0.00 O ATOM 638 OE2 GLU A 196 8.983 -2.117 -10.052 1.00 0.00 O ATOM 0 H GLU A 196 3.720 -2.582 -6.996 1.00 0.00 H new ATOM 0 HA GLU A 196 5.897 -4.254 -7.675 1.00 0.00 H new ATOM 0 HB2 GLU A 196 4.646 -2.556 -9.094 1.00 0.00 H new ATOM 0 HB3 GLU A 196 5.657 -1.337 -8.344 1.00 0.00 H new ATOM 0 HG2 GLU A 196 6.869 -3.773 -9.664 1.00 0.00 H new ATOM 0 HG3 GLU A 196 6.406 -2.369 -10.604 1.00 0.00 H new ATOM 645 N TYR A 197 6.284 -1.938 -5.425 1.00 0.00 N ATOM 646 CA TYR A 197 7.105 -1.383 -4.380 1.00 0.00 C ATOM 647 C TYR A 197 7.361 -2.473 -3.361 1.00 0.00 C ATOM 648 O TYR A 197 8.497 -2.745 -2.975 1.00 0.00 O ATOM 649 CB TYR A 197 6.360 -0.225 -3.727 1.00 0.00 C ATOM 650 CG TYR A 197 7.265 0.866 -3.242 1.00 0.00 C ATOM 651 CD1 TYR A 197 7.791 0.842 -1.962 1.00 0.00 C ATOM 652 CD2 TYR A 197 7.589 1.920 -4.076 1.00 0.00 C ATOM 653 CE1 TYR A 197 8.631 1.859 -1.518 1.00 0.00 C ATOM 654 CE2 TYR A 197 8.426 2.941 -3.646 1.00 0.00 C ATOM 655 CZ TYR A 197 8.941 2.901 -2.368 1.00 0.00 C ATOM 656 OH TYR A 197 9.770 3.911 -1.934 1.00 0.00 O ATOM 0 H TYR A 197 5.300 -1.681 -5.349 1.00 0.00 H new ATOM 0 HA TYR A 197 8.050 -1.016 -4.779 1.00 0.00 H new ATOM 0 HB2 TYR A 197 5.652 0.192 -4.443 1.00 0.00 H new ATOM 0 HB3 TYR A 197 5.778 -0.604 -2.887 1.00 0.00 H new ATOM 0 HD1 TYR A 197 7.547 0.024 -1.300 1.00 0.00 H new ATOM 0 HD2 TYR A 197 7.185 1.950 -5.077 1.00 0.00 H new ATOM 0 HE1 TYR A 197 9.037 1.833 -0.517 1.00 0.00 H new ATOM 0 HE2 TYR A 197 8.671 3.759 -4.307 1.00 0.00 H new ATOM 0 HH TYR A 197 9.890 4.567 -2.652 1.00 0.00 H new ATOM 666 N LEU A 198 6.272 -3.131 -2.975 1.00 0.00 N ATOM 667 CA LEU A 198 6.336 -4.247 -2.050 1.00 0.00 C ATOM 668 C LEU A 198 7.475 -5.157 -2.484 1.00 0.00 C ATOM 669 O LEU A 198 8.107 -5.838 -1.677 1.00 0.00 O ATOM 670 CB LEU A 198 5.024 -5.024 -2.129 1.00 0.00 C ATOM 671 CG LEU A 198 3.979 -4.780 -1.033 1.00 0.00 C ATOM 672 CD1 LEU A 198 4.391 -3.676 -0.087 1.00 0.00 C ATOM 673 CD2 LEU A 198 2.647 -4.441 -1.659 1.00 0.00 C ATOM 0 H LEU A 198 5.330 -2.905 -3.294 1.00 0.00 H new ATOM 0 HA LEU A 198 6.498 -3.894 -1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 198 4.560 -4.800 -3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 198 5.264 -6.087 -2.131 1.00 0.00 H new ATOM 0 HG LEU A 198 3.896 -5.699 -0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 198 3.620 -3.540 0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 198 5.331 -3.942 0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 198 4.519 -2.748 -0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 198 1.910 -4.269 -0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 198 2.748 -3.541 -2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 198 2.320 -5.268 -2.289 1.00 0.00 H new ATOM 685 N LEU A 199 7.699 -5.150 -3.793 1.00 0.00 N ATOM 686 CA LEU A 199 8.726 -5.952 -4.433 1.00 0.00 C ATOM 687 C LEU A 199 10.101 -5.316 -4.269 1.00 0.00 C ATOM 688 O LEU A 199 10.861 -5.676 -3.369 1.00 0.00 O ATOM 689 CB LEU A 199 8.379 -6.087 -5.922 1.00 0.00 C ATOM 690 CG LEU A 199 7.228 -7.047 -6.256 1.00 0.00 C ATOM 691 CD1 LEU A 199 7.660 -8.040 -7.320 1.00 0.00 C ATOM 692 CD2 LEU A 199 6.741 -7.779 -5.013 1.00 0.00 C ATOM 0 H LEU A 199 7.163 -4.578 -4.446 1.00 0.00 H new ATOM 0 HA LEU A 199 8.761 -6.935 -3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 199 8.127 -5.099 -6.308 1.00 0.00 H new ATOM 0 HB3 LEU A 199 9.270 -6.419 -6.455 1.00 0.00 H new ATOM 0 HG LEU A 199 6.398 -6.455 -6.643 1.00 0.00 H new ATOM 0 HD11 LEU A 199 6.833 -8.714 -7.546 1.00 0.00 H new ATOM 0 HD12 LEU A 199 7.948 -7.503 -8.224 1.00 0.00 H new ATOM 0 HD13 LEU A 199 8.509 -8.618 -6.955 1.00 0.00 H new ATOM 0 HD21 LEU A 199 5.926 -8.451 -5.282 1.00 0.00 H new ATOM 0 HD22 LEU A 199 7.561 -8.356 -4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 199 6.387 -7.055 -4.280 1.00 0.00 H new ATOM 704 N THR A 200 10.414 -4.368 -5.146 1.00 0.00 N ATOM 705 CA THR A 200 11.700 -3.679 -5.104 1.00 0.00 C ATOM 706 C THR A 200 12.170 -3.487 -3.666 1.00 0.00 C ATOM 707 O THR A 200 13.224 -3.990 -3.276 1.00 0.00 O ATOM 708 CB THR A 200 11.604 -2.322 -5.805 1.00 0.00 C ATOM 709 OG1 THR A 200 12.266 -1.321 -5.054 1.00 0.00 O ATOM 710 CG2 THR A 200 10.180 -1.858 -6.031 1.00 0.00 C ATOM 0 H THR A 200 9.795 -4.059 -5.895 1.00 0.00 H new ATOM 0 HA THR A 200 12.429 -4.299 -5.627 1.00 0.00 H new ATOM 0 HB THR A 200 12.078 -2.469 -6.776 1.00 0.00 H new ATOM 0 HG1 THR A 200 12.195 -0.462 -5.520 1.00 0.00 H new ATOM 0 HG21 THR A 200 10.188 -0.890 -6.532 1.00 0.00 H new ATOM 0 HG22 THR A 200 9.655 -2.584 -6.652 1.00 0.00 H new ATOM 0 HG23 THR A 200 9.671 -1.766 -5.072 1.00 0.00 H new