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 -120:sc= -7.63! (180deg=-9.54!) USER MOD Set 1.2: A 189 ASN : amide:sc= -0.0357 X(o=-7.7,f=-7.3) 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 -141:sc= -12! (180deg=-16.4!) USER MOD Single : A 172 SER OG : rot 180:sc= 0 USER MOD Single : A 173 MET CE :methyl 142:sc= -2.65! (180deg=-5.1!) USER MOD Single : A 175 TYR OH : rot 180:sc= -0.128 USER MOD Single : A 187 SER OG : rot -45:sc= -3.17! USER MOD Single : A 188 TYR OH : rot 180:sc= 0 USER MOD Single : A 190 ASN : amide:sc= -4.12! C(o=-4.1!,f=-12!) USER MOD Single : A 192 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 197 TYR OH : rot -122:sc= 0.42 USER MOD Single : A 200 THR OG1 : rot -50:sc= 0.0364 USER MOD ----------------------------------------------------------------- ATOM 120 N GLU A 164 -7.639 1.751 1.931 1.00 0.00 N ATOM 121 CA GLU A 164 -7.737 0.487 2.642 1.00 0.00 C ATOM 122 C GLU A 164 -8.097 -0.654 1.695 1.00 0.00 C ATOM 123 O GLU A 164 -7.674 -1.790 1.898 1.00 0.00 O ATOM 124 CB GLU A 164 -8.778 0.587 3.760 1.00 0.00 C ATOM 125 CG GLU A 164 -8.228 1.164 5.052 1.00 0.00 C ATOM 126 CD GLU A 164 -9.174 0.979 6.221 1.00 0.00 C ATOM 127 OE1 GLU A 164 -10.396 1.164 6.031 1.00 0.00 O ATOM 128 OE2 GLU A 164 -8.696 0.650 7.326 1.00 0.00 O ATOM 0 HA GLU A 164 -6.762 0.272 3.078 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -9.607 1.207 3.419 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -9.183 -0.405 3.958 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -7.275 0.688 5.282 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -8.029 2.227 4.915 1.00 0.00 H new ATOM 135 N THR A 165 -8.876 -0.347 0.658 1.00 0.00 N ATOM 136 CA THR A 165 -9.277 -1.362 -0.309 1.00 0.00 C ATOM 137 C THR A 165 -8.117 -1.716 -1.230 1.00 0.00 C ATOM 138 O THR A 165 -8.045 -2.827 -1.756 1.00 0.00 O ATOM 139 CB THR A 165 -10.470 -0.893 -1.138 1.00 0.00 C ATOM 140 OG1 THR A 165 -11.508 -0.412 -0.301 1.00 0.00 O ATOM 141 CG2 THR A 165 -11.045 -1.991 -2.004 1.00 0.00 C ATOM 0 H THR A 165 -9.238 0.588 0.469 1.00 0.00 H new ATOM 0 HA THR A 165 -9.571 -2.251 0.250 1.00 0.00 H new ATOM 0 HB THR A 165 -10.091 -0.098 -1.780 1.00 0.00 H new ATOM 0 HG1 THR A 165 -12.262 -0.115 -0.852 1.00 0.00 H new ATOM 0 HG21 THR A 165 -11.890 -1.602 -2.571 1.00 0.00 H new ATOM 0 HG22 THR A 165 -10.280 -2.350 -2.693 1.00 0.00 H new ATOM 0 HG23 THR A 165 -11.380 -2.814 -1.373 1.00 0.00 H new ATOM 149 N MET A 166 -7.189 -0.779 -1.387 1.00 0.00 N ATOM 150 CA MET A 166 -6.023 -0.995 -2.189 1.00 0.00 C ATOM 151 C MET A 166 -5.141 -1.949 -1.434 1.00 0.00 C ATOM 152 O MET A 166 -4.509 -2.843 -1.991 1.00 0.00 O ATOM 153 CB MET A 166 -5.315 0.334 -2.391 1.00 0.00 C ATOM 154 CG MET A 166 -3.907 0.181 -2.856 1.00 0.00 C ATOM 155 SD MET A 166 -3.321 1.598 -3.807 1.00 0.00 S ATOM 156 CE MET A 166 -4.070 2.969 -2.920 1.00 0.00 C ATOM 0 H MET A 166 -7.237 0.145 -0.957 1.00 0.00 H new ATOM 0 HA MET A 166 -6.274 -1.406 -3.167 1.00 0.00 H new ATOM 0 HB2 MET A 166 -5.869 0.927 -3.118 1.00 0.00 H new ATOM 0 HB3 MET A 166 -5.323 0.890 -1.453 1.00 0.00 H new ATOM 0 HG2 MET A 166 -3.258 0.037 -1.992 1.00 0.00 H new ATOM 0 HG3 MET A 166 -3.828 -0.718 -3.467 1.00 0.00 H new ATOM 0 HE1 MET A 166 -4.725 3.523 -3.593 1.00 0.00 H new ATOM 0 HE2 MET A 166 -4.652 2.586 -2.082 1.00 0.00 H new ATOM 0 HE3 MET A 166 -3.289 3.631 -2.547 1.00 0.00 H new ATOM 166 N LEU A 167 -5.155 -1.744 -0.136 1.00 0.00 N ATOM 167 CA LEU A 167 -4.414 -2.559 0.786 1.00 0.00 C ATOM 168 C LEU A 167 -4.893 -3.993 0.717 1.00 0.00 C ATOM 169 O LEU A 167 -4.100 -4.911 0.607 1.00 0.00 O ATOM 170 CB LEU A 167 -4.611 -2.027 2.197 1.00 0.00 C ATOM 171 CG LEU A 167 -4.211 -0.568 2.395 1.00 0.00 C ATOM 172 CD1 LEU A 167 -3.773 -0.349 3.847 1.00 0.00 C ATOM 173 CD2 LEU A 167 -3.022 -0.225 1.498 1.00 0.00 C ATOM 0 H LEU A 167 -5.689 -0.997 0.309 1.00 0.00 H new ATOM 0 HA LEU A 167 -3.357 -2.526 0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -5.660 -2.141 2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -4.034 -2.644 2.886 1.00 0.00 H new ATOM 0 HG LEU A 167 -5.067 0.061 2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -3.487 0.693 3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -4.598 -0.593 4.517 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -2.922 -0.992 4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -2.744 0.818 1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -2.178 -0.866 1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -3.296 -0.383 0.455 1.00 0.00 H new ATOM 185 N THR A 168 -6.204 -4.163 0.795 1.00 0.00 N ATOM 186 CA THR A 168 -6.822 -5.478 0.768 1.00 0.00 C ATOM 187 C THR A 168 -6.550 -6.224 -0.537 1.00 0.00 C ATOM 188 O THR A 168 -6.362 -7.437 -0.524 1.00 0.00 O ATOM 189 CB THR A 168 -8.327 -5.349 1.000 1.00 0.00 C ATOM 190 OG1 THR A 168 -8.611 -5.203 2.379 1.00 0.00 O ATOM 191 CG2 THR A 168 -9.112 -6.532 0.492 1.00 0.00 C ATOM 0 H THR A 168 -6.868 -3.393 0.879 1.00 0.00 H new ATOM 0 HA THR A 168 -6.375 -6.065 1.570 1.00 0.00 H new ATOM 0 HB THR A 168 -8.631 -4.465 0.440 1.00 0.00 H new ATOM 0 HG1 THR A 168 -9.579 -5.120 2.507 1.00 0.00 H new ATOM 0 HG21 THR A 168 -10.173 -6.376 0.688 1.00 0.00 H new ATOM 0 HG22 THR A 168 -8.954 -6.640 -0.581 1.00 0.00 H new ATOM 0 HG23 THR A 168 -8.778 -7.436 1.001 1.00 0.00 H new ATOM 199 N GLU A 169 -6.507 -5.516 -1.657 1.00 0.00 N ATOM 200 CA GLU A 169 -6.225 -6.174 -2.925 1.00 0.00 C ATOM 201 C GLU A 169 -4.780 -6.666 -2.918 1.00 0.00 C ATOM 202 O GLU A 169 -4.498 -7.873 -2.869 1.00 0.00 O ATOM 203 CB GLU A 169 -6.452 -5.204 -4.085 1.00 0.00 C ATOM 204 CG GLU A 169 -7.495 -5.681 -5.082 1.00 0.00 C ATOM 205 CD GLU A 169 -6.937 -6.683 -6.075 1.00 0.00 C ATOM 206 OE1 GLU A 169 -5.740 -6.578 -6.415 1.00 0.00 O ATOM 207 OE2 GLU A 169 -7.698 -7.572 -6.512 1.00 0.00 O ATOM 0 H GLU A 169 -6.660 -4.509 -1.715 1.00 0.00 H new ATOM 0 HA GLU A 169 -6.897 -7.023 -3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 169 -6.759 -4.238 -3.685 1.00 0.00 H new ATOM 0 HB3 GLU A 169 -5.508 -5.047 -4.607 1.00 0.00 H new ATOM 0 HG2 GLU A 169 -8.327 -6.134 -4.543 1.00 0.00 H new ATOM 0 HG3 GLU A 169 -7.895 -4.823 -5.623 1.00 0.00 H new ATOM 214 N ILE A 170 -3.869 -5.710 -2.915 1.00 0.00 N ATOM 215 CA ILE A 170 -2.452 -6.007 -2.861 1.00 0.00 C ATOM 216 C ILE A 170 -2.198 -6.958 -1.707 1.00 0.00 C ATOM 217 O ILE A 170 -1.298 -7.795 -1.740 1.00 0.00 O ATOM 218 CB ILE A 170 -1.629 -4.722 -2.679 1.00 0.00 C ATOM 219 CG1 ILE A 170 -2.133 -3.653 -3.641 1.00 0.00 C ATOM 220 CG2 ILE A 170 -0.149 -4.992 -2.916 1.00 0.00 C ATOM 221 CD1 ILE A 170 -1.365 -2.368 -3.538 1.00 0.00 C ATOM 0 H ILE A 170 -4.089 -4.715 -2.950 1.00 0.00 H new ATOM 0 HA ILE A 170 -2.145 -6.469 -3.800 1.00 0.00 H new ATOM 0 HB ILE A 170 -1.748 -4.369 -1.655 1.00 0.00 H new ATOM 0 HG12 ILE A 170 -2.067 -4.029 -4.662 1.00 0.00 H new ATOM 0 HG13 ILE A 170 -3.187 -3.458 -3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 170 0.415 -4.069 -2.782 1.00 0.00 H new ATOM 0 HG22 ILE A 170 0.203 -5.739 -2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 170 -0.005 -5.361 -3.931 1.00 0.00 H new ATOM 0 HD11 ILE A 170 -1.769 -1.645 -4.247 1.00 0.00 H new ATOM 0 HD12 ILE A 170 -1.452 -1.972 -2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 170 -0.315 -2.552 -3.766 1.00 0.00 H new ATOM 233 N MET A 171 -3.043 -6.832 -0.697 1.00 0.00 N ATOM 234 CA MET A 171 -2.977 -7.688 0.474 1.00 0.00 C ATOM 235 C MET A 171 -3.034 -9.135 0.040 1.00 0.00 C ATOM 236 O MET A 171 -2.050 -9.865 0.111 1.00 0.00 O ATOM 237 CB MET A 171 -4.148 -7.389 1.402 1.00 0.00 C ATOM 238 CG MET A 171 -3.751 -6.576 2.597 1.00 0.00 C ATOM 239 SD MET A 171 -4.975 -6.593 3.914 1.00 0.00 S ATOM 240 CE MET A 171 -4.957 -4.860 4.361 1.00 0.00 C ATOM 0 H MET A 171 -3.789 -6.138 -0.666 1.00 0.00 H new ATOM 0 HA MET A 171 -2.044 -7.500 1.005 1.00 0.00 H new ATOM 0 HB2 MET A 171 -4.919 -6.856 0.846 1.00 0.00 H new ATOM 0 HB3 MET A 171 -4.588 -8.328 1.737 1.00 0.00 H new ATOM 0 HG2 MET A 171 -2.805 -6.954 2.986 1.00 0.00 H new ATOM 0 HG3 MET A 171 -3.579 -5.546 2.285 1.00 0.00 H new ATOM 0 HE1 MET A 171 -5.039 -4.763 5.444 1.00 0.00 H new ATOM 0 HE2 MET A 171 -4.024 -4.407 4.026 1.00 0.00 H new ATOM 0 HE3 MET A 171 -5.797 -4.353 3.886 1.00 0.00 H new ATOM 250 N SER A 172 -4.199 -9.535 -0.445 1.00 0.00 N ATOM 251 CA SER A 172 -4.389 -10.893 -0.939 1.00 0.00 C ATOM 252 C SER A 172 -3.119 -11.345 -1.645 1.00 0.00 C ATOM 253 O SER A 172 -2.766 -12.524 -1.636 1.00 0.00 O ATOM 254 CB SER A 172 -5.582 -10.957 -1.895 1.00 0.00 C ATOM 255 OG SER A 172 -6.728 -11.484 -1.249 1.00 0.00 O ATOM 0 H SER A 172 -5.026 -8.942 -0.508 1.00 0.00 H new ATOM 0 HA SER A 172 -4.596 -11.557 -0.100 1.00 0.00 H new ATOM 0 HB2 SER A 172 -5.802 -9.959 -2.274 1.00 0.00 H new ATOM 0 HB3 SER A 172 -5.329 -11.576 -2.756 1.00 0.00 H new ATOM 0 HG SER A 172 -7.476 -11.512 -1.882 1.00 0.00 H new ATOM 261 N MET A 173 -2.421 -10.373 -2.238 1.00 0.00 N ATOM 262 CA MET A 173 -1.175 -10.621 -2.931 1.00 0.00 C ATOM 263 C MET A 173 0.000 -10.726 -1.948 1.00 0.00 C ATOM 264 O MET A 173 1.106 -10.278 -2.246 1.00 0.00 O ATOM 265 CB MET A 173 -0.927 -9.480 -3.906 1.00 0.00 C ATOM 266 CG MET A 173 -1.284 -9.826 -5.329 1.00 0.00 C ATOM 267 SD MET A 173 -0.049 -9.256 -6.511 1.00 0.00 S ATOM 268 CE MET A 173 0.120 -7.545 -6.010 1.00 0.00 C ATOM 0 H MET A 173 -2.712 -9.395 -2.246 1.00 0.00 H new ATOM 0 HA MET A 173 -1.250 -11.570 -3.463 1.00 0.00 H new ATOM 0 HB2 MET A 173 -1.507 -8.611 -3.594 1.00 0.00 H new ATOM 0 HB3 MET A 173 0.124 -9.194 -3.861 1.00 0.00 H new ATOM 0 HG2 MET A 173 -1.396 -10.906 -5.419 1.00 0.00 H new ATOM 0 HG3 MET A 173 -2.249 -9.383 -5.576 1.00 0.00 H new ATOM 0 HE1 MET A 173 1.165 -7.244 -6.089 1.00 0.00 H new ATOM 0 HE2 MET A 173 -0.489 -6.914 -6.658 1.00 0.00 H new ATOM 0 HE3 MET A 173 -0.213 -7.433 -4.978 1.00 0.00 H new ATOM 278 N GLY A 174 -0.248 -11.313 -0.776 1.00 0.00 N ATOM 279 CA GLY A 174 0.800 -11.453 0.220 1.00 0.00 C ATOM 280 C GLY A 174 1.459 -10.131 0.565 1.00 0.00 C ATOM 281 O GLY A 174 2.683 -10.018 0.539 1.00 0.00 O ATOM 0 H GLY A 174 -1.154 -11.692 -0.501 1.00 0.00 H new ATOM 0 HA2 GLY A 174 0.380 -11.892 1.125 1.00 0.00 H new ATOM 0 HA3 GLY A 174 1.556 -12.146 -0.149 1.00 0.00 H new ATOM 285 N TYR A 175 0.644 -9.125 0.878 1.00 0.00 N ATOM 286 CA TYR A 175 1.163 -7.805 1.214 1.00 0.00 C ATOM 287 C TYR A 175 0.336 -7.131 2.311 1.00 0.00 C ATOM 288 O TYR A 175 -0.630 -6.424 2.030 1.00 0.00 O ATOM 289 CB TYR A 175 1.176 -6.932 -0.035 1.00 0.00 C ATOM 290 CG TYR A 175 1.986 -7.522 -1.174 1.00 0.00 C ATOM 291 CD1 TYR A 175 3.268 -8.013 -0.955 1.00 0.00 C ATOM 292 CD2 TYR A 175 1.472 -7.592 -2.464 1.00 0.00 C ATOM 293 CE1 TYR A 175 4.012 -8.554 -1.985 1.00 0.00 C ATOM 294 CE2 TYR A 175 2.210 -8.132 -3.499 1.00 0.00 C ATOM 295 CZ TYR A 175 3.480 -8.610 -3.254 1.00 0.00 C ATOM 296 OH TYR A 175 4.219 -9.147 -4.283 1.00 0.00 O ATOM 0 H TYR A 175 -0.373 -9.200 0.905 1.00 0.00 H new ATOM 0 HA TYR A 175 2.177 -7.928 1.595 1.00 0.00 H new ATOM 0 HB2 TYR A 175 0.151 -6.776 -0.371 1.00 0.00 H new ATOM 0 HB3 TYR A 175 1.581 -5.952 0.220 1.00 0.00 H new ATOM 0 HD1 TYR A 175 3.690 -7.971 0.038 1.00 0.00 H new ATOM 0 HD2 TYR A 175 0.478 -7.218 -2.660 1.00 0.00 H new ATOM 0 HE1 TYR A 175 5.006 -8.931 -1.796 1.00 0.00 H new ATOM 0 HE2 TYR A 175 1.795 -8.180 -4.495 1.00 0.00 H new ATOM 0 HH TYR A 175 3.698 -9.112 -5.113 1.00 0.00 H new ATOM 306 N GLU A 176 0.730 -7.347 3.563 1.00 0.00 N ATOM 307 CA GLU A 176 0.030 -6.759 4.703 1.00 0.00 C ATOM 308 C GLU A 176 -0.356 -5.305 4.440 1.00 0.00 C ATOM 309 O GLU A 176 0.337 -4.583 3.726 1.00 0.00 O ATOM 310 CB GLU A 176 0.899 -6.845 5.959 1.00 0.00 C ATOM 311 CG GLU A 176 0.190 -7.475 7.145 1.00 0.00 C ATOM 312 CD GLU A 176 0.694 -8.872 7.451 1.00 0.00 C ATOM 313 OE1 GLU A 176 1.350 -9.473 6.575 1.00 0.00 O ATOM 314 OE2 GLU A 176 0.432 -9.367 8.568 1.00 0.00 O ATOM 0 H GLU A 176 1.531 -7.926 3.815 1.00 0.00 H new ATOM 0 HA GLU A 176 -0.887 -7.329 4.855 1.00 0.00 H new ATOM 0 HB2 GLU A 176 1.795 -7.423 5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 176 1.228 -5.842 6.233 1.00 0.00 H new ATOM 0 HG2 GLU A 176 0.326 -6.843 8.023 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -0.881 -7.515 6.944 1.00 0.00 H new ATOM 321 N ARG A 177 -1.476 -4.896 5.025 1.00 0.00 N ATOM 322 CA ARG A 177 -1.994 -3.539 4.869 1.00 0.00 C ATOM 323 C ARG A 177 -0.916 -2.486 5.087 1.00 0.00 C ATOM 324 O ARG A 177 -0.963 -1.416 4.494 1.00 0.00 O ATOM 325 CB ARG A 177 -3.153 -3.310 5.856 1.00 0.00 C ATOM 326 CG ARG A 177 -2.890 -2.260 6.935 1.00 0.00 C ATOM 327 CD ARG A 177 -3.697 -2.542 8.192 1.00 0.00 C ATOM 328 NE ARG A 177 -4.847 -3.402 7.923 1.00 0.00 N ATOM 329 CZ ARG A 177 -5.828 -3.078 7.090 1.00 0.00 C ATOM 330 NH1 ARG A 177 -5.801 -1.920 6.444 1.00 0.00 N ATOM 331 NH2 ARG A 177 -6.841 -3.915 6.898 1.00 0.00 N ATOM 0 H ARG A 177 -2.051 -5.493 5.620 1.00 0.00 H new ATOM 0 HA ARG A 177 -2.350 -3.437 3.844 1.00 0.00 H new ATOM 0 HB2 ARG A 177 -4.037 -3.014 5.291 1.00 0.00 H new ATOM 0 HB3 ARG A 177 -3.388 -4.257 6.342 1.00 0.00 H new ATOM 0 HG2 ARG A 177 -1.828 -2.245 7.179 1.00 0.00 H new ATOM 0 HG3 ARG A 177 -3.143 -1.271 6.552 1.00 0.00 H new ATOM 0 HD2 ARG A 177 -3.056 -3.016 8.936 1.00 0.00 H new ATOM 0 HD3 ARG A 177 -4.041 -1.601 8.621 1.00 0.00 H new ATOM 0 HE ARG A 177 -4.899 -4.301 8.402 1.00 0.00 H new ATOM 0 HH11 ARG A 177 -5.024 -1.275 6.586 1.00 0.00 H new ATOM 0 HH12 ARG A 177 -6.557 -1.675 5.805 1.00 0.00 H new ATOM 0 HH21 ARG A 177 -6.865 -4.808 7.391 1.00 0.00 H new ATOM 0 HH22 ARG A 177 -7.595 -3.665 6.258 1.00 0.00 H new ATOM 345 N GLU A 178 0.012 -2.764 5.982 1.00 0.00 N ATOM 346 CA GLU A 178 1.048 -1.793 6.307 1.00 0.00 C ATOM 347 C GLU A 178 2.168 -1.732 5.272 1.00 0.00 C ATOM 348 O GLU A 178 2.752 -0.671 5.053 1.00 0.00 O ATOM 349 CB GLU A 178 1.631 -2.078 7.690 1.00 0.00 C ATOM 350 CG GLU A 178 0.678 -1.758 8.828 1.00 0.00 C ATOM 351 CD GLU A 178 1.363 -1.763 10.180 1.00 0.00 C ATOM 352 OE1 GLU A 178 1.518 -2.859 10.761 1.00 0.00 O ATOM 353 OE2 GLU A 178 1.743 -0.674 10.658 1.00 0.00 O ATOM 0 H GLU A 178 0.073 -3.644 6.494 1.00 0.00 H new ATOM 0 HA GLU A 178 0.563 -0.817 6.302 1.00 0.00 H new ATOM 0 HB2 GLU A 178 1.912 -3.130 7.747 1.00 0.00 H new ATOM 0 HB3 GLU A 178 2.544 -1.497 7.817 1.00 0.00 H new ATOM 0 HG2 GLU A 178 0.228 -0.780 8.656 1.00 0.00 H new ATOM 0 HG3 GLU A 178 -0.133 -2.486 8.833 1.00 0.00 H new ATOM 360 N ARG A 179 2.481 -2.854 4.644 1.00 0.00 N ATOM 361 CA ARG A 179 3.536 -2.887 3.654 1.00 0.00 C ATOM 362 C ARG A 179 3.114 -2.171 2.387 1.00 0.00 C ATOM 363 O ARG A 179 3.902 -1.493 1.725 1.00 0.00 O ATOM 364 CB ARG A 179 3.882 -4.333 3.338 1.00 0.00 C ATOM 365 CG ARG A 179 4.567 -5.065 4.480 1.00 0.00 C ATOM 366 CD ARG A 179 4.955 -6.481 4.081 1.00 0.00 C ATOM 367 NE ARG A 179 6.129 -6.953 4.810 1.00 0.00 N ATOM 368 CZ ARG A 179 6.731 -8.113 4.564 1.00 0.00 C ATOM 369 NH1 ARG A 179 6.270 -8.912 3.612 1.00 0.00 N ATOM 370 NH2 ARG A 179 7.794 -8.474 5.270 1.00 0.00 N ATOM 0 H ARG A 179 2.019 -3.749 4.804 1.00 0.00 H new ATOM 0 HA ARG A 179 4.410 -2.376 4.057 1.00 0.00 H new ATOM 0 HB2 ARG A 179 2.968 -4.866 3.074 1.00 0.00 H new ATOM 0 HB3 ARG A 179 4.530 -4.358 2.462 1.00 0.00 H new ATOM 0 HG2 ARG A 179 5.457 -4.515 4.784 1.00 0.00 H new ATOM 0 HG3 ARG A 179 3.902 -5.098 5.343 1.00 0.00 H new ATOM 0 HD2 ARG A 179 4.117 -7.153 4.269 1.00 0.00 H new ATOM 0 HD3 ARG A 179 5.156 -6.514 3.010 1.00 0.00 H new ATOM 0 HE ARG A 179 6.508 -6.360 5.549 1.00 0.00 H new ATOM 0 HH11 ARG A 179 5.453 -8.637 3.067 1.00 0.00 H new ATOM 0 HH12 ARG A 179 6.733 -9.801 3.424 1.00 0.00 H new ATOM 0 HH21 ARG A 179 8.151 -7.862 6.003 1.00 0.00 H new ATOM 0 HH22 ARG A 179 8.254 -9.364 5.080 1.00 0.00 H new ATOM 384 N VAL A 180 1.853 -2.329 2.071 1.00 0.00 N ATOM 385 CA VAL A 180 1.267 -1.723 0.887 1.00 0.00 C ATOM 386 C VAL A 180 0.906 -0.280 1.148 1.00 0.00 C ATOM 387 O VAL A 180 1.295 0.589 0.378 1.00 0.00 O ATOM 388 CB VAL A 180 0.062 -2.545 0.391 1.00 0.00 C ATOM 389 CG1 VAL A 180 -0.556 -3.314 1.538 1.00 0.00 C ATOM 390 CG2 VAL A 180 -0.963 -1.675 -0.313 1.00 0.00 C ATOM 0 H VAL A 180 1.197 -2.881 2.624 1.00 0.00 H new ATOM 0 HA VAL A 180 2.009 -1.729 0.088 1.00 0.00 H new ATOM 0 HB VAL A 180 0.423 -3.262 -0.347 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -1.406 -3.890 1.173 1.00 0.00 H new ATOM 0 HG12 VAL A 180 0.185 -3.990 1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -0.893 -2.616 2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -1.796 -2.293 -0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -1.329 -0.914 0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -0.501 -1.193 -1.174 1.00 0.00 H new ATOM 400 N VAL A 181 0.203 -0.020 2.236 1.00 0.00 N ATOM 401 CA VAL A 181 -0.155 1.346 2.573 1.00 0.00 C ATOM 402 C VAL A 181 1.104 2.173 2.721 1.00 0.00 C ATOM 403 O VAL A 181 1.176 3.312 2.265 1.00 0.00 O ATOM 404 CB VAL A 181 -1.006 1.428 3.854 1.00 0.00 C ATOM 405 CG1 VAL A 181 -0.151 1.644 5.086 1.00 0.00 C ATOM 406 CG2 VAL A 181 -2.014 2.532 3.747 1.00 0.00 C ATOM 0 H VAL A 181 -0.128 -0.726 2.893 1.00 0.00 H new ATOM 0 HA VAL A 181 -0.766 1.743 1.762 1.00 0.00 H new ATOM 0 HB VAL A 181 -1.520 0.472 3.958 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -0.790 1.696 5.968 1.00 0.00 H new ATOM 0 HG12 VAL A 181 0.549 0.815 5.193 1.00 0.00 H new ATOM 0 HG13 VAL A 181 0.404 2.577 4.985 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -2.606 2.574 4.661 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -1.499 3.482 3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -2.671 2.344 2.898 1.00 0.00 H new ATOM 416 N ALA A 182 2.110 1.561 3.321 1.00 0.00 N ATOM 417 CA ALA A 182 3.402 2.206 3.480 1.00 0.00 C ATOM 418 C ALA A 182 4.017 2.304 2.101 1.00 0.00 C ATOM 419 O ALA A 182 4.766 3.231 1.798 1.00 0.00 O ATOM 420 CB ALA A 182 4.304 1.404 4.434 1.00 0.00 C ATOM 0 H ALA A 182 2.057 0.618 3.706 1.00 0.00 H new ATOM 0 HA ALA A 182 3.288 3.196 3.921 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.265 1.908 4.536 1.00 0.00 H new ATOM 0 HB2 ALA A 182 3.827 1.332 5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 182 4.460 0.403 4.032 1.00 0.00 H new ATOM 426 N ALA A 183 3.635 1.354 1.252 1.00 0.00 N ATOM 427 CA ALA A 183 4.084 1.343 -0.122 1.00 0.00 C ATOM 428 C ALA A 183 3.300 2.393 -0.898 1.00 0.00 C ATOM 429 O ALA A 183 3.706 2.818 -1.975 1.00 0.00 O ATOM 430 CB ALA A 183 3.902 -0.031 -0.733 1.00 0.00 C ATOM 0 H ALA A 183 3.014 0.584 1.500 1.00 0.00 H new ATOM 0 HA ALA A 183 5.147 1.579 -0.164 1.00 0.00 H new ATOM 0 HB1 ALA A 183 4.246 -0.018 -1.767 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.481 -0.760 -0.167 1.00 0.00 H new ATOM 0 HB3 ALA A 183 2.847 -0.305 -0.705 1.00 0.00 H new ATOM 436 N LEU A 184 2.186 2.830 -0.305 1.00 0.00 N ATOM 437 CA LEU A 184 1.346 3.865 -0.886 1.00 0.00 C ATOM 438 C LEU A 184 1.935 5.208 -0.487 1.00 0.00 C ATOM 439 O LEU A 184 1.872 6.188 -1.218 1.00 0.00 O ATOM 440 CB LEU A 184 -0.094 3.750 -0.380 1.00 0.00 C ATOM 441 CG LEU A 184 -0.806 2.421 -0.665 1.00 0.00 C ATOM 442 CD1 LEU A 184 -2.188 2.392 -0.030 1.00 0.00 C ATOM 443 CD2 LEU A 184 -0.917 2.187 -2.160 1.00 0.00 C ATOM 0 H LEU A 184 1.847 2.474 0.589 1.00 0.00 H new ATOM 0 HA LEU A 184 1.319 3.759 -1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -0.093 3.914 0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -0.679 4.555 -0.825 1.00 0.00 H new ATOM 0 HG LEU A 184 -0.209 1.622 -0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -2.669 1.439 -0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -2.095 2.513 1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -2.792 3.204 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -1.425 1.240 -2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -1.487 2.998 -2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.080 2.155 -2.598 1.00 0.00 H new ATOM 455 N ARG A 185 2.559 5.225 0.676 1.00 0.00 N ATOM 456 CA ARG A 185 3.218 6.420 1.155 1.00 0.00 C ATOM 457 C ARG A 185 4.561 6.518 0.455 1.00 0.00 C ATOM 458 O ARG A 185 5.133 7.600 0.317 1.00 0.00 O ATOM 459 CB ARG A 185 3.417 6.373 2.670 1.00 0.00 C ATOM 460 CG ARG A 185 2.148 6.070 3.444 1.00 0.00 C ATOM 461 CD ARG A 185 2.420 5.984 4.934 1.00 0.00 C ATOM 462 NE ARG A 185 1.206 6.172 5.725 1.00 0.00 N ATOM 463 CZ ARG A 185 0.508 7.303 5.749 1.00 0.00 C ATOM 464 NH1 ARG A 185 0.900 8.341 5.026 1.00 0.00 N ATOM 465 NH2 ARG A 185 -0.582 7.395 6.498 1.00 0.00 N ATOM 0 H ARG A 185 2.622 4.424 1.304 1.00 0.00 H new ATOM 0 HA ARG A 185 2.602 7.292 0.936 1.00 0.00 H new ATOM 0 HB2 ARG A 185 4.165 5.616 2.906 1.00 0.00 H new ATOM 0 HB3 ARG A 185 3.816 7.330 3.005 1.00 0.00 H new ATOM 0 HG2 ARG A 185 1.408 6.846 3.251 1.00 0.00 H new ATOM 0 HG3 ARG A 185 1.722 5.129 3.095 1.00 0.00 H new ATOM 0 HD2 ARG A 185 2.857 5.013 5.167 1.00 0.00 H new ATOM 0 HD3 ARG A 185 3.154 6.740 5.212 1.00 0.00 H new ATOM 0 HE ARG A 185 0.875 5.391 6.291 1.00 0.00 H new ATOM 0 HH11 ARG A 185 1.739 8.273 4.449 1.00 0.00 H new ATOM 0 HH12 ARG A 185 0.363 9.208 5.046 1.00 0.00 H new ATOM 0 HH21 ARG A 185 -0.886 6.597 7.057 1.00 0.00 H new ATOM 0 HH22 ARG A 185 -1.117 8.263 6.516 1.00 0.00 H new ATOM 479 N ALA A 186 5.057 5.361 0.013 1.00 0.00 N ATOM 480 CA ALA A 186 6.335 5.292 -0.676 1.00 0.00 C ATOM 481 C ALA A 186 6.167 5.158 -2.192 1.00 0.00 C ATOM 482 O ALA A 186 7.135 5.287 -2.937 1.00 0.00 O ATOM 483 CB ALA A 186 7.159 4.138 -0.131 1.00 0.00 C ATOM 0 H ALA A 186 4.588 4.462 0.123 1.00 0.00 H new ATOM 0 HA ALA A 186 6.859 6.230 -0.491 1.00 0.00 H new ATOM 0 HB1 ALA A 186 8.115 4.095 -0.654 1.00 0.00 H new ATOM 0 HB2 ALA A 186 7.334 4.287 0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 186 6.620 3.203 -0.282 1.00 0.00 H new ATOM 489 N SER A 187 4.937 4.913 -2.651 1.00 0.00 N ATOM 490 CA SER A 187 4.685 4.783 -4.085 1.00 0.00 C ATOM 491 C SER A 187 3.875 5.971 -4.606 1.00 0.00 C ATOM 492 O SER A 187 3.879 6.248 -5.803 1.00 0.00 O ATOM 493 CB SER A 187 3.969 3.469 -4.417 1.00 0.00 C ATOM 494 OG SER A 187 4.763 2.360 -4.037 1.00 0.00 O ATOM 0 H SER A 187 4.113 4.802 -2.060 1.00 0.00 H new ATOM 0 HA SER A 187 5.654 4.773 -4.583 1.00 0.00 H new ATOM 0 HB2 SER A 187 3.010 3.431 -3.901 1.00 0.00 H new ATOM 0 HB3 SER A 187 3.758 3.423 -5.485 1.00 0.00 H new ATOM 0 HG SER A 187 5.690 2.509 -4.318 1.00 0.00 H new ATOM 500 N TYR A 188 3.201 6.669 -3.683 1.00 0.00 N ATOM 501 CA TYR A 188 2.384 7.854 -4.002 1.00 0.00 C ATOM 502 C TYR A 188 0.878 7.560 -3.970 1.00 0.00 C ATOM 503 O TYR A 188 0.089 8.336 -4.508 1.00 0.00 O ATOM 504 CB TYR A 188 2.763 8.440 -5.366 1.00 0.00 C ATOM 505 CG TYR A 188 2.102 9.776 -5.660 1.00 0.00 C ATOM 506 CD1 TYR A 188 1.504 10.520 -4.648 1.00 0.00 C ATOM 507 CD2 TYR A 188 2.071 10.292 -6.952 1.00 0.00 C ATOM 508 CE1 TYR A 188 0.900 11.736 -4.912 1.00 0.00 C ATOM 509 CE2 TYR A 188 1.470 11.507 -7.222 1.00 0.00 C ATOM 510 CZ TYR A 188 0.886 12.223 -6.200 1.00 0.00 C ATOM 511 OH TYR A 188 0.286 13.432 -6.466 1.00 0.00 O ATOM 0 H TYR A 188 3.205 6.430 -2.691 1.00 0.00 H new ATOM 0 HA TYR A 188 2.598 8.585 -3.223 1.00 0.00 H new ATOM 0 HB2 TYR A 188 3.845 8.562 -5.411 1.00 0.00 H new ATOM 0 HB3 TYR A 188 2.489 7.729 -6.146 1.00 0.00 H new ATOM 0 HD1 TYR A 188 1.512 10.141 -3.637 1.00 0.00 H new ATOM 0 HD2 TYR A 188 2.524 9.733 -7.758 1.00 0.00 H new ATOM 0 HE1 TYR A 188 0.442 12.300 -4.113 1.00 0.00 H new ATOM 0 HE2 TYR A 188 1.458 11.894 -8.230 1.00 0.00 H new ATOM 0 HH TYR A 188 0.364 13.632 -7.422 1.00 0.00 H new ATOM 521 N ASN A 189 0.496 6.444 -3.346 1.00 0.00 N ATOM 522 CA ASN A 189 -0.904 6.033 -3.235 1.00 0.00 C ATOM 523 C ASN A 189 -1.210 4.960 -4.258 1.00 0.00 C ATOM 524 O ASN A 189 -2.165 4.200 -4.113 1.00 0.00 O ATOM 525 CB ASN A 189 -1.861 7.212 -3.405 1.00 0.00 C ATOM 526 CG ASN A 189 -3.161 7.024 -2.645 1.00 0.00 C ATOM 527 OD1 ASN A 189 -3.420 7.714 -1.659 1.00 0.00 O ATOM 528 ND2 ASN A 189 -3.987 6.087 -3.097 1.00 0.00 N ATOM 0 H ASN A 189 1.150 5.799 -2.903 1.00 0.00 H new ATOM 0 HA ASN A 189 -1.053 5.634 -2.232 1.00 0.00 H new ATOM 0 HB2 ASN A 189 -1.373 8.124 -3.062 1.00 0.00 H new ATOM 0 HB3 ASN A 189 -2.080 7.347 -4.464 1.00 0.00 H new ATOM 0 HD21 ASN A 189 -4.874 5.918 -2.623 1.00 0.00 H new ATOM 0 HD22 ASN A 189 -3.734 5.537 -3.918 1.00 0.00 H new ATOM 535 N ASN A 190 -0.379 4.887 -5.282 1.00 0.00 N ATOM 536 CA ASN A 190 -0.555 3.878 -6.303 1.00 0.00 C ATOM 537 C ASN A 190 -0.469 2.508 -5.665 1.00 0.00 C ATOM 538 O ASN A 190 0.243 2.328 -4.684 1.00 0.00 O ATOM 539 CB ASN A 190 0.522 3.964 -7.370 1.00 0.00 C ATOM 540 CG ASN A 190 1.063 5.360 -7.578 1.00 0.00 C ATOM 541 OD1 ASN A 190 1.806 5.883 -6.752 1.00 0.00 O ATOM 542 ND2 ASN A 190 0.702 5.959 -8.699 1.00 0.00 N ATOM 0 H ASN A 190 0.416 5.509 -5.426 1.00 0.00 H new ATOM 0 HA ASN A 190 -1.527 4.043 -6.768 1.00 0.00 H new ATOM 0 HB2 ASN A 190 1.344 3.302 -7.098 1.00 0.00 H new ATOM 0 HB3 ASN A 190 0.117 3.597 -8.313 1.00 0.00 H new ATOM 0 HD21 ASN A 190 1.043 6.897 -8.909 1.00 0.00 H new ATOM 0 HD22 ASN A 190 0.082 5.483 -9.355 1.00 0.00 H new ATOM 549 N PRO A 191 -1.194 1.528 -6.206 1.00 0.00 N ATOM 550 CA PRO A 191 -1.214 0.169 -5.698 1.00 0.00 C ATOM 551 C PRO A 191 -0.188 -0.706 -6.405 1.00 0.00 C ATOM 552 O PRO A 191 0.750 -1.193 -5.793 1.00 0.00 O ATOM 553 CB PRO A 191 -2.614 -0.304 -6.047 1.00 0.00 C ATOM 554 CG PRO A 191 -3.227 0.809 -6.855 1.00 0.00 C ATOM 555 CD PRO A 191 -2.079 1.642 -7.344 1.00 0.00 C ATOM 0 HA PRO A 191 -0.976 0.118 -4.636 1.00 0.00 H new ATOM 0 HB2 PRO A 191 -2.583 -1.232 -6.618 1.00 0.00 H new ATOM 0 HB3 PRO A 191 -3.197 -0.502 -5.147 1.00 0.00 H new ATOM 0 HG2 PRO A 191 -3.806 0.413 -7.690 1.00 0.00 H new ATOM 0 HG3 PRO A 191 -3.910 1.403 -6.247 1.00 0.00 H new ATOM 0 HD2 PRO A 191 -1.636 1.248 -8.259 1.00 0.00 H new ATOM 0 HD3 PRO A 191 -2.368 2.673 -7.548 1.00 0.00 H new ATOM 563 N HIS A 192 -0.384 -0.889 -7.712 1.00 0.00 N ATOM 564 CA HIS A 192 0.520 -1.683 -8.539 1.00 0.00 C ATOM 565 C HIS A 192 1.952 -1.223 -8.340 1.00 0.00 C ATOM 566 O HIS A 192 2.866 -2.033 -8.284 1.00 0.00 O ATOM 567 CB HIS A 192 0.123 -1.541 -10.006 1.00 0.00 C ATOM 568 CG HIS A 192 0.520 -2.710 -10.853 1.00 0.00 C ATOM 569 ND1 HIS A 192 -0.375 -3.411 -11.634 1.00 0.00 N ATOM 570 CD2 HIS A 192 1.723 -3.300 -11.042 1.00 0.00 C ATOM 571 CE1 HIS A 192 0.263 -4.384 -12.264 1.00 0.00 C ATOM 572 NE2 HIS A 192 1.538 -4.336 -11.922 1.00 0.00 N ATOM 0 H HIS A 192 -1.172 -0.491 -8.224 1.00 0.00 H new ATOM 0 HA HIS A 192 0.448 -2.730 -8.245 1.00 0.00 H new ATOM 0 HB2 HIS A 192 -0.957 -1.408 -10.070 1.00 0.00 H new ATOM 0 HB3 HIS A 192 0.580 -0.638 -10.411 1.00 0.00 H new ATOM 0 HD2 HIS A 192 2.657 -3.009 -10.584 1.00 0.00 H new ATOM 0 HE1 HIS A 192 -0.183 -5.096 -12.942 1.00 0.00 H new ATOM 0 HE2 HIS A 192 2.266 -4.966 -12.258 1.00 0.00 H new ATOM 580 N ARG A 193 2.143 0.085 -8.194 1.00 0.00 N ATOM 581 CA ARG A 193 3.472 0.621 -7.946 1.00 0.00 C ATOM 582 C ARG A 193 3.794 0.396 -6.478 1.00 0.00 C ATOM 583 O ARG A 193 4.950 0.253 -6.091 1.00 0.00 O ATOM 584 CB ARG A 193 3.538 2.112 -8.284 1.00 0.00 C ATOM 585 CG ARG A 193 4.852 2.770 -7.896 1.00 0.00 C ATOM 586 CD ARG A 193 5.445 3.556 -9.050 1.00 0.00 C ATOM 587 NE ARG A 193 4.738 4.813 -9.277 1.00 0.00 N ATOM 588 CZ ARG A 193 5.237 5.817 -9.990 1.00 0.00 C ATOM 589 NH1 ARG A 193 6.438 5.708 -10.545 1.00 0.00 N ATOM 590 NH2 ARG A 193 4.536 6.933 -10.150 1.00 0.00 N ATOM 0 H ARG A 193 1.402 0.784 -8.243 1.00 0.00 H new ATOM 0 HA ARG A 193 4.200 0.115 -8.581 1.00 0.00 H new ATOM 0 HB2 ARG A 193 3.380 2.240 -9.355 1.00 0.00 H new ATOM 0 HB3 ARG A 193 2.721 2.627 -7.778 1.00 0.00 H new ATOM 0 HG2 ARG A 193 4.690 3.435 -7.047 1.00 0.00 H new ATOM 0 HG3 ARG A 193 5.560 2.007 -7.573 1.00 0.00 H new ATOM 0 HD2 ARG A 193 6.495 3.763 -8.846 1.00 0.00 H new ATOM 0 HD3 ARG A 193 5.410 2.951 -9.956 1.00 0.00 H new ATOM 0 HE ARG A 193 3.811 4.927 -8.866 1.00 0.00 H new ATOM 0 HH11 ARG A 193 6.980 4.852 -10.425 1.00 0.00 H new ATOM 0 HH12 ARG A 193 6.819 6.480 -11.092 1.00 0.00 H new ATOM 0 HH21 ARG A 193 3.613 7.021 -9.725 1.00 0.00 H new ATOM 0 HH22 ARG A 193 4.921 7.703 -10.698 1.00 0.00 H new ATOM 604 N ALA A 194 2.722 0.329 -5.687 1.00 0.00 N ATOM 605 CA ALA A 194 2.792 0.083 -4.258 1.00 0.00 C ATOM 606 C ALA A 194 3.213 -1.343 -4.005 1.00 0.00 C ATOM 607 O ALA A 194 3.660 -1.700 -2.915 1.00 0.00 O ATOM 608 CB ALA A 194 1.421 0.312 -3.643 1.00 0.00 C ATOM 0 H ALA A 194 1.770 0.447 -6.033 1.00 0.00 H new ATOM 0 HA ALA A 194 3.519 0.761 -3.811 1.00 0.00 H new ATOM 0 HB1 ALA A 194 1.468 0.128 -2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 194 1.109 1.341 -3.822 1.00 0.00 H new ATOM 0 HB3 ALA A 194 0.701 -0.369 -4.096 1.00 0.00 H new ATOM 614 N VAL A 195 3.034 -2.160 -5.024 1.00 0.00 N ATOM 615 CA VAL A 195 3.353 -3.552 -4.939 1.00 0.00 C ATOM 616 C VAL A 195 4.727 -3.814 -5.512 1.00 0.00 C ATOM 617 O VAL A 195 5.552 -4.480 -4.899 1.00 0.00 O ATOM 618 CB VAL A 195 2.257 -4.372 -5.620 1.00 0.00 C ATOM 619 CG1 VAL A 195 0.919 -3.682 -5.498 1.00 0.00 C ATOM 620 CG2 VAL A 195 2.590 -4.705 -7.057 1.00 0.00 C ATOM 0 H VAL A 195 2.663 -1.868 -5.928 1.00 0.00 H new ATOM 0 HA VAL A 195 3.389 -3.863 -3.895 1.00 0.00 H new ATOM 0 HB VAL A 195 2.194 -5.326 -5.097 1.00 0.00 H new ATOM 0 HG11 VAL A 195 0.154 -4.283 -5.989 1.00 0.00 H new ATOM 0 HG12 VAL A 195 0.666 -3.563 -4.445 1.00 0.00 H new ATOM 0 HG13 VAL A 195 0.971 -2.702 -5.972 1.00 0.00 H new ATOM 0 HG21 VAL A 195 1.779 -5.288 -7.493 1.00 0.00 H new ATOM 0 HG22 VAL A 195 2.719 -3.783 -7.624 1.00 0.00 H new ATOM 0 HG23 VAL A 195 3.512 -5.285 -7.092 1.00 0.00 H new ATOM 630 N GLU A 196 4.969 -3.213 -6.696 1.00 0.00 N ATOM 631 CA GLU A 196 6.312 -3.230 -7.224 1.00 0.00 C ATOM 632 C GLU A 196 7.234 -2.720 -6.152 1.00 0.00 C ATOM 633 O GLU A 196 8.369 -3.083 -6.157 1.00 0.00 O ATOM 634 CB GLU A 196 6.478 -2.347 -8.472 1.00 0.00 C ATOM 635 CG GLU A 196 7.274 -3.057 -9.593 1.00 0.00 C ATOM 636 CD GLU A 196 6.385 -4.048 -10.347 1.00 0.00 C ATOM 637 OE1 GLU A 196 5.333 -3.655 -10.846 1.00 0.00 O ATOM 638 OE2 GLU A 196 6.766 -5.224 -10.446 1.00 0.00 O ATOM 0 H GLU A 196 4.274 -2.735 -7.269 1.00 0.00 H new ATOM 0 HA GLU A 196 6.543 -4.253 -7.520 1.00 0.00 H new ATOM 0 HB2 GLU A 196 5.495 -2.067 -8.849 1.00 0.00 H new ATOM 0 HB3 GLU A 196 6.988 -1.424 -8.196 1.00 0.00 H new ATOM 0 HG2 GLU A 196 7.672 -2.317 -10.288 1.00 0.00 H new ATOM 0 HG3 GLU A 196 8.127 -3.581 -9.163 1.00 0.00 H new ATOM 645 N TYR A 197 6.644 -1.921 -5.236 1.00 0.00 N ATOM 646 CA TYR A 197 7.315 -1.349 -4.093 1.00 0.00 C ATOM 647 C TYR A 197 7.473 -2.446 -3.067 1.00 0.00 C ATOM 648 O TYR A 197 8.565 -2.726 -2.576 1.00 0.00 O ATOM 649 CB TYR A 197 6.466 -0.212 -3.526 1.00 0.00 C ATOM 650 CG TYR A 197 7.265 1.008 -3.209 1.00 0.00 C ATOM 651 CD1 TYR A 197 7.863 1.164 -1.973 1.00 0.00 C ATOM 652 CD2 TYR A 197 7.425 1.994 -4.160 1.00 0.00 C ATOM 653 CE1 TYR A 197 8.612 2.300 -1.685 1.00 0.00 C ATOM 654 CE2 TYR A 197 8.171 3.136 -3.890 1.00 0.00 C ATOM 655 CZ TYR A 197 8.757 3.279 -2.648 1.00 0.00 C ATOM 656 OH TYR A 197 9.499 4.406 -2.370 1.00 0.00 O ATOM 0 H TYR A 197 5.659 -1.661 -5.291 1.00 0.00 H new ATOM 0 HA TYR A 197 8.290 -0.946 -4.368 1.00 0.00 H new ATOM 0 HB2 TYR A 197 5.688 0.046 -4.244 1.00 0.00 H new ATOM 0 HB3 TYR A 197 5.964 -0.556 -2.622 1.00 0.00 H new ATOM 0 HD1 TYR A 197 7.748 0.396 -1.223 1.00 0.00 H new ATOM 0 HD2 TYR A 197 6.964 1.877 -5.130 1.00 0.00 H new ATOM 0 HE1 TYR A 197 9.076 2.415 -0.717 1.00 0.00 H new ATOM 0 HE2 TYR A 197 8.291 3.902 -4.642 1.00 0.00 H new ATOM 0 HH TYR A 197 8.938 5.202 -2.480 1.00 0.00 H new ATOM 666 N LEU A 198 6.352 -3.101 -2.804 1.00 0.00 N ATOM 667 CA LEU A 198 6.301 -4.228 -1.898 1.00 0.00 C ATOM 668 C LEU A 198 7.482 -5.144 -2.183 1.00 0.00 C ATOM 669 O LEU A 198 7.998 -5.829 -1.300 1.00 0.00 O ATOM 670 CB LEU A 198 5.006 -4.987 -2.169 1.00 0.00 C ATOM 671 CG LEU A 198 3.852 -4.811 -1.181 1.00 0.00 C ATOM 672 CD1 LEU A 198 4.165 -3.750 -0.160 1.00 0.00 C ATOM 673 CD2 LEU A 198 2.584 -4.453 -1.929 1.00 0.00 C ATOM 0 H LEU A 198 5.451 -2.861 -3.217 1.00 0.00 H new ATOM 0 HA LEU A 198 6.340 -3.893 -0.862 1.00 0.00 H new ATOM 0 HB2 LEU A 198 4.648 -4.695 -3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 198 5.245 -6.049 -2.218 1.00 0.00 H new ATOM 0 HG LEU A 198 3.709 -5.754 -0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 198 3.326 -3.648 0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 198 5.058 -4.033 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 198 4.338 -2.799 -0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 198 1.766 -4.329 -1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 198 2.735 -3.522 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 198 2.338 -5.250 -2.631 1.00 0.00 H new ATOM 685 N LEU A 199 7.879 -5.146 -3.448 1.00 0.00 N ATOM 686 CA LEU A 199 8.977 -5.964 -3.937 1.00 0.00 C ATOM 687 C LEU A 199 10.328 -5.358 -3.567 1.00 0.00 C ATOM 688 O LEU A 199 11.045 -5.890 -2.720 1.00 0.00 O ATOM 689 CB LEU A 199 8.857 -6.106 -5.458 1.00 0.00 C ATOM 690 CG LEU A 199 7.738 -7.029 -5.956 1.00 0.00 C ATOM 691 CD1 LEU A 199 8.237 -7.898 -7.098 1.00 0.00 C ATOM 692 CD2 LEU A 199 7.200 -7.895 -4.826 1.00 0.00 C ATOM 0 H LEU A 199 7.442 -4.573 -4.170 1.00 0.00 H new ATOM 0 HA LEU A 199 8.918 -6.946 -3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 199 8.702 -5.115 -5.885 1.00 0.00 H new ATOM 0 HB3 LEU A 199 9.806 -6.475 -5.846 1.00 0.00 H new ATOM 0 HG LEU A 199 6.922 -6.405 -6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 199 7.431 -8.547 -7.440 1.00 0.00 H new ATOM 0 HD12 LEU A 199 8.566 -7.264 -7.921 1.00 0.00 H new ATOM 0 HD13 LEU A 199 9.072 -8.507 -6.753 1.00 0.00 H new ATOM 0 HD21 LEU A 199 6.408 -8.540 -5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 199 8.005 -8.509 -4.423 1.00 0.00 H new ATOM 0 HD23 LEU A 199 6.801 -7.257 -4.037 1.00 0.00 H new ATOM 704 N THR A 200 10.671 -4.246 -4.208 1.00 0.00 N ATOM 705 CA THR A 200 11.940 -3.574 -3.948 1.00 0.00 C ATOM 706 C THR A 200 12.267 -3.579 -2.459 1.00 0.00 C ATOM 707 O THR A 200 13.299 -4.106 -2.041 1.00 0.00 O ATOM 708 CB THR A 200 11.901 -2.133 -4.465 1.00 0.00 C ATOM 709 OG1 THR A 200 11.347 -1.265 -3.492 1.00 0.00 O ATOM 710 CG2 THR A 200 11.096 -1.971 -5.735 1.00 0.00 C ATOM 0 H THR A 200 10.089 -3.791 -4.911 1.00 0.00 H new ATOM 0 HA THR A 200 12.720 -4.121 -4.477 1.00 0.00 H new ATOM 0 HB THR A 200 12.939 -1.877 -4.678 1.00 0.00 H new ATOM 0 HG1 THR A 200 10.501 -1.637 -3.166 1.00 0.00 H new ATOM 0 HG21 THR A 200 11.111 -0.926 -6.044 1.00 0.00 H new ATOM 0 HG22 THR A 200 11.529 -2.589 -6.522 1.00 0.00 H new ATOM 0 HG23 THR A 200 10.067 -2.282 -5.555 1.00 0.00 H new