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 -101:sc= -5.95! (180deg=-8.81!) USER MOD Set 1.2: A 189 ASN : amide:sc= -2.05! C(o=-8!,f=-9.5!) USER MOD Single : A 165 THR OG1 : rot 180:sc= 0 USER MOD Single : A 168 THR OG1 : rot -40:sc= 0.712 USER MOD Single : A 171 MET CE :methyl -126:sc= -12.4! (180deg=-16.9!) USER MOD Single : A 172 SER OG : rot 180:sc= 0 USER MOD Single : A 173 MET CE :methyl -138:sc= -1.35 (180deg=-4.95!) USER MOD Single : A 175 TYR OH : rot 180:sc= -0.568 USER MOD Single : A 187 SER OG : rot 79:sc= -1.71! USER MOD Single : A 188 TYR OH : rot 180:sc= 0 USER MOD Single : A 190 ASN : amide:sc= -3.8! C(o=-3.8!,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 -16:sc= -1.82! USER MOD Single : A 200 THR OG1 : rot -49:sc= 0.0379 USER MOD ----------------------------------------------------------------- ATOM 120 N GLU A 164 -7.686 1.684 2.004 1.00 0.00 N ATOM 121 CA GLU A 164 -7.780 0.394 2.668 1.00 0.00 C ATOM 122 C GLU A 164 -8.128 -0.709 1.674 1.00 0.00 C ATOM 123 O GLU A 164 -7.652 -1.839 1.796 1.00 0.00 O ATOM 124 CB GLU A 164 -8.827 0.444 3.781 1.00 0.00 C ATOM 125 CG GLU A 164 -8.266 0.890 5.120 1.00 0.00 C ATOM 126 CD GLU A 164 -8.734 0.017 6.267 1.00 0.00 C ATOM 127 OE1 GLU A 164 -9.300 -1.065 5.997 1.00 0.00 O ATOM 128 OE2 GLU A 164 -8.538 0.414 7.434 1.00 0.00 O ATOM 0 HA GLU A 164 -6.807 0.168 3.104 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -9.627 1.123 3.486 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -9.273 -0.544 3.894 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -7.177 0.874 5.077 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -8.563 1.922 5.309 1.00 0.00 H new ATOM 135 N THR A 165 -8.958 -0.379 0.687 1.00 0.00 N ATOM 136 CA THR A 165 -9.358 -1.353 -0.321 1.00 0.00 C ATOM 137 C THR A 165 -8.186 -1.712 -1.224 1.00 0.00 C ATOM 138 O THR A 165 -8.129 -2.813 -1.776 1.00 0.00 O ATOM 139 CB THR A 165 -10.518 -0.829 -1.161 1.00 0.00 C ATOM 140 OG1 THR A 165 -11.576 -0.374 -0.336 1.00 0.00 O ATOM 141 CG2 THR A 165 -11.080 -1.878 -2.097 1.00 0.00 C ATOM 0 H THR A 165 -9.363 0.549 0.565 1.00 0.00 H new ATOM 0 HA THR A 165 -9.686 -2.251 0.203 1.00 0.00 H new ATOM 0 HB THR A 165 -10.108 -0.009 -1.751 1.00 0.00 H new ATOM 0 HG1 THR A 165 -12.308 -0.041 -0.896 1.00 0.00 H new ATOM 0 HG21 THR A 165 -11.903 -1.451 -2.670 1.00 0.00 H new ATOM 0 HG22 THR A 165 -10.298 -2.214 -2.779 1.00 0.00 H new ATOM 0 HG23 THR A 165 -11.444 -2.726 -1.517 1.00 0.00 H new ATOM 149 N MET A 166 -7.231 -0.796 -1.343 1.00 0.00 N ATOM 150 CA MET A 166 -6.058 -1.024 -2.132 1.00 0.00 C ATOM 151 C MET A 166 -5.186 -1.975 -1.360 1.00 0.00 C ATOM 152 O MET A 166 -4.567 -2.885 -1.901 1.00 0.00 O ATOM 153 CB MET A 166 -5.350 0.307 -2.337 1.00 0.00 C ATOM 154 CG MET A 166 -3.952 0.157 -2.836 1.00 0.00 C ATOM 155 SD MET A 166 -3.389 1.588 -3.785 1.00 0.00 S ATOM 156 CE MET A 166 -4.094 2.949 -2.851 1.00 0.00 C ATOM 0 H MET A 166 -7.262 0.118 -0.891 1.00 0.00 H new ATOM 0 HA MET A 166 -6.296 -1.446 -3.109 1.00 0.00 H new ATOM 0 HB2 MET A 166 -5.919 0.909 -3.045 1.00 0.00 H new ATOM 0 HB3 MET A 166 -5.336 0.853 -1.394 1.00 0.00 H new ATOM 0 HG2 MET A 166 -3.283 0.003 -1.989 1.00 0.00 H new ATOM 0 HG3 MET A 166 -3.887 -0.735 -3.459 1.00 0.00 H new ATOM 0 HE1 MET A 166 -4.993 3.307 -3.352 1.00 0.00 H new ATOM 0 HE2 MET A 166 -4.349 2.608 -1.848 1.00 0.00 H new ATOM 0 HE3 MET A 166 -3.368 3.760 -2.785 1.00 0.00 H new ATOM 166 N LEU A 167 -5.191 -1.748 -0.066 1.00 0.00 N ATOM 167 CA LEU A 167 -4.452 -2.558 0.867 1.00 0.00 C ATOM 168 C LEU A 167 -4.918 -3.999 0.803 1.00 0.00 C ATOM 169 O LEU A 167 -4.113 -4.912 0.848 1.00 0.00 O ATOM 170 CB LEU A 167 -4.647 -2.010 2.272 1.00 0.00 C ATOM 171 CG LEU A 167 -4.269 -0.537 2.446 1.00 0.00 C ATOM 172 CD1 LEU A 167 -3.788 -0.295 3.879 1.00 0.00 C ATOM 173 CD2 LEU A 167 -3.113 -0.175 1.510 1.00 0.00 C ATOM 0 H LEU A 167 -5.714 -0.988 0.369 1.00 0.00 H new ATOM 0 HA LEU A 167 -3.394 -2.527 0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -5.692 -2.138 2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -4.054 -2.607 2.965 1.00 0.00 H new ATOM 0 HG LEU A 167 -5.147 0.069 2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -3.519 0.754 4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -4.585 -0.549 4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -2.917 -0.918 4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -2.853 0.875 1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -2.248 -0.796 1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -3.414 -0.347 0.477 1.00 0.00 H new ATOM 185 N THR A 168 -6.229 -4.188 0.708 1.00 0.00 N ATOM 186 CA THR A 168 -6.822 -5.510 0.654 1.00 0.00 C ATOM 187 C THR A 168 -6.473 -6.243 -0.632 1.00 0.00 C ATOM 188 O THR A 168 -6.125 -7.415 -0.607 1.00 0.00 O ATOM 189 CB THR A 168 -8.332 -5.375 0.761 1.00 0.00 C ATOM 190 OG1 THR A 168 -8.861 -4.775 -0.407 1.00 0.00 O ATOM 191 CG2 THR A 168 -8.790 -4.548 1.942 1.00 0.00 C ATOM 0 H THR A 168 -6.907 -3.427 0.667 1.00 0.00 H new ATOM 0 HA THR A 168 -6.423 -6.093 1.484 1.00 0.00 H new ATOM 0 HB THR A 168 -8.698 -6.393 0.894 1.00 0.00 H new ATOM 0 HG1 THR A 168 -8.268 -4.052 -0.701 1.00 0.00 H new ATOM 0 HG21 THR A 168 -9.879 -4.498 1.951 1.00 0.00 H new ATOM 0 HG22 THR A 168 -8.441 -5.009 2.866 1.00 0.00 H new ATOM 0 HG23 THR A 168 -8.381 -3.541 1.862 1.00 0.00 H new ATOM 199 N GLU A 169 -6.566 -5.561 -1.756 1.00 0.00 N ATOM 200 CA GLU A 169 -6.235 -6.187 -3.024 1.00 0.00 C ATOM 201 C GLU A 169 -4.784 -6.660 -2.977 1.00 0.00 C ATOM 202 O GLU A 169 -4.481 -7.865 -2.909 1.00 0.00 O ATOM 203 CB GLU A 169 -6.442 -5.187 -4.161 1.00 0.00 C ATOM 204 CG GLU A 169 -7.503 -5.611 -5.164 1.00 0.00 C ATOM 205 CD GLU A 169 -6.977 -6.594 -6.189 1.00 0.00 C ATOM 206 OE1 GLU A 169 -6.948 -7.807 -5.891 1.00 0.00 O ATOM 207 OE2 GLU A 169 -6.592 -6.152 -7.291 1.00 0.00 O ATOM 0 H GLU A 169 -6.863 -4.587 -1.820 1.00 0.00 H new ATOM 0 HA GLU A 169 -6.884 -7.045 -3.201 1.00 0.00 H new ATOM 0 HB2 GLU A 169 -6.720 -4.222 -3.738 1.00 0.00 H new ATOM 0 HB3 GLU A 169 -5.496 -5.045 -4.684 1.00 0.00 H new ATOM 0 HG2 GLU A 169 -8.341 -6.061 -4.632 1.00 0.00 H new ATOM 0 HG3 GLU A 169 -7.887 -4.729 -5.676 1.00 0.00 H new ATOM 214 N ILE A 170 -3.883 -5.692 -2.967 1.00 0.00 N ATOM 215 CA ILE A 170 -2.466 -5.980 -2.878 1.00 0.00 C ATOM 216 C ILE A 170 -2.236 -6.990 -1.767 1.00 0.00 C ATOM 217 O ILE A 170 -1.430 -7.913 -1.892 1.00 0.00 O ATOM 218 CB ILE A 170 -1.660 -4.697 -2.620 1.00 0.00 C ATOM 219 CG1 ILE A 170 -2.156 -3.598 -3.550 1.00 0.00 C ATOM 220 CG2 ILE A 170 -0.174 -4.949 -2.837 1.00 0.00 C ATOM 221 CD1 ILE A 170 -1.337 -2.340 -3.477 1.00 0.00 C ATOM 0 H ILE A 170 -4.111 -4.699 -3.020 1.00 0.00 H new ATOM 0 HA ILE A 170 -2.124 -6.397 -3.825 1.00 0.00 H new ATOM 0 HB ILE A 170 -1.801 -4.384 -1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 170 -2.148 -3.969 -4.575 1.00 0.00 H new ATOM 0 HG13 ILE A 170 -3.192 -3.363 -3.303 1.00 0.00 H new ATOM 0 HG21 ILE A 170 0.382 -4.030 -2.650 1.00 0.00 H new ATOM 0 HG22 ILE A 170 0.167 -5.725 -2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 170 -0.006 -5.272 -3.864 1.00 0.00 H new ATOM 0 HD11 ILE A 170 -1.746 -1.599 -4.165 1.00 0.00 H new ATOM 0 HD12 ILE A 170 -1.365 -1.946 -2.461 1.00 0.00 H new ATOM 0 HD13 ILE A 170 -0.306 -2.561 -3.752 1.00 0.00 H new ATOM 233 N MET A 171 -2.991 -6.822 -0.690 1.00 0.00 N ATOM 234 CA MET A 171 -2.932 -7.719 0.446 1.00 0.00 C ATOM 235 C MET A 171 -2.982 -9.163 -0.021 1.00 0.00 C ATOM 236 O MET A 171 -1.984 -9.876 0.011 1.00 0.00 O ATOM 237 CB MET A 171 -4.117 -7.443 1.362 1.00 0.00 C ATOM 238 CG MET A 171 -3.735 -6.730 2.625 1.00 0.00 C ATOM 239 SD MET A 171 -5.118 -6.519 3.755 1.00 0.00 S ATOM 240 CE MET A 171 -4.903 -4.805 4.208 1.00 0.00 C ATOM 0 H MET A 171 -3.660 -6.059 -0.583 1.00 0.00 H new ATOM 0 HA MET A 171 -1.998 -7.554 0.984 1.00 0.00 H new ATOM 0 HB2 MET A 171 -4.853 -6.845 0.824 1.00 0.00 H new ATOM 0 HB3 MET A 171 -4.598 -8.387 1.617 1.00 0.00 H new ATOM 0 HG2 MET A 171 -2.944 -7.288 3.127 1.00 0.00 H new ATOM 0 HG3 MET A 171 -3.325 -5.752 2.374 1.00 0.00 H new ATOM 0 HE1 MET A 171 -4.860 -4.718 5.294 1.00 0.00 H new ATOM 0 HE2 MET A 171 -3.975 -4.428 3.777 1.00 0.00 H new ATOM 0 HE3 MET A 171 -5.742 -4.221 3.830 1.00 0.00 H new ATOM 250 N SER A 172 -4.160 -9.582 -0.467 1.00 0.00 N ATOM 251 CA SER A 172 -4.355 -10.938 -0.966 1.00 0.00 C ATOM 252 C SER A 172 -3.090 -11.415 -1.659 1.00 0.00 C ATOM 253 O SER A 172 -2.749 -12.596 -1.616 1.00 0.00 O ATOM 254 CB SER A 172 -5.539 -10.988 -1.933 1.00 0.00 C ATOM 255 OG SER A 172 -5.181 -11.632 -3.144 1.00 0.00 O ATOM 0 H SER A 172 -4.997 -9.000 -0.493 1.00 0.00 H new ATOM 0 HA SER A 172 -4.572 -11.596 -0.124 1.00 0.00 H new ATOM 0 HB2 SER A 172 -6.371 -11.517 -1.468 1.00 0.00 H new ATOM 0 HB3 SER A 172 -5.884 -9.976 -2.144 1.00 0.00 H new ATOM 0 HG SER A 172 -5.955 -11.653 -3.745 1.00 0.00 H new ATOM 261 N MET A 173 -2.383 -10.472 -2.283 1.00 0.00 N ATOM 262 CA MET A 173 -1.142 -10.778 -2.965 1.00 0.00 C ATOM 263 C MET A 173 0.038 -10.806 -1.988 1.00 0.00 C ATOM 264 O MET A 173 1.138 -10.361 -2.316 1.00 0.00 O ATOM 265 CB MET A 173 -0.896 -9.744 -4.054 1.00 0.00 C ATOM 266 CG MET A 173 -2.144 -8.985 -4.471 1.00 0.00 C ATOM 267 SD MET A 173 -1.981 -8.213 -6.091 1.00 0.00 S ATOM 268 CE MET A 173 -0.491 -7.247 -5.859 1.00 0.00 C ATOM 0 H MET A 173 -2.656 -9.490 -2.326 1.00 0.00 H new ATOM 0 HA MET A 173 -1.227 -11.769 -3.411 1.00 0.00 H new ATOM 0 HB2 MET A 173 -0.149 -9.032 -3.704 1.00 0.00 H new ATOM 0 HB3 MET A 173 -0.476 -10.243 -4.928 1.00 0.00 H new ATOM 0 HG2 MET A 173 -2.993 -9.669 -4.483 1.00 0.00 H new ATOM 0 HG3 MET A 173 -2.363 -8.218 -3.728 1.00 0.00 H new ATOM 0 HE1 MET A 173 -0.619 -6.265 -6.315 1.00 0.00 H new ATOM 0 HE2 MET A 173 -0.296 -7.130 -4.793 1.00 0.00 H new ATOM 0 HE3 MET A 173 0.350 -7.757 -6.328 1.00 0.00 H new ATOM 278 N GLY A 174 -0.198 -11.339 -0.790 1.00 0.00 N ATOM 279 CA GLY A 174 0.850 -11.427 0.213 1.00 0.00 C ATOM 280 C GLY A 174 1.478 -10.087 0.546 1.00 0.00 C ATOM 281 O GLY A 174 2.702 -9.949 0.521 1.00 0.00 O ATOM 0 H GLY A 174 -1.101 -11.713 -0.496 1.00 0.00 H new ATOM 0 HA2 GLY A 174 0.437 -11.862 1.123 1.00 0.00 H new ATOM 0 HA3 GLY A 174 1.626 -12.106 -0.141 1.00 0.00 H new ATOM 285 N TYR A 175 0.648 -9.094 0.859 1.00 0.00 N ATOM 286 CA TYR A 175 1.150 -7.765 1.192 1.00 0.00 C ATOM 287 C TYR A 175 0.334 -7.105 2.305 1.00 0.00 C ATOM 288 O TYR A 175 -0.664 -6.434 2.047 1.00 0.00 O ATOM 289 CB TYR A 175 1.139 -6.887 -0.052 1.00 0.00 C ATOM 290 CG TYR A 175 1.921 -7.477 -1.208 1.00 0.00 C ATOM 291 CD1 TYR A 175 3.212 -7.956 -1.023 1.00 0.00 C ATOM 292 CD2 TYR A 175 1.370 -7.557 -2.481 1.00 0.00 C ATOM 293 CE1 TYR A 175 3.932 -8.497 -2.070 1.00 0.00 C ATOM 294 CE2 TYR A 175 2.083 -8.098 -3.534 1.00 0.00 C ATOM 295 CZ TYR A 175 3.363 -8.565 -3.323 1.00 0.00 C ATOM 296 OH TYR A 175 4.077 -9.105 -4.369 1.00 0.00 O ATOM 0 H TYR A 175 -0.368 -9.184 0.889 1.00 0.00 H new ATOM 0 HA TYR A 175 2.170 -7.877 1.558 1.00 0.00 H new ATOM 0 HB2 TYR A 175 0.108 -6.725 -0.365 1.00 0.00 H new ATOM 0 HB3 TYR A 175 1.554 -5.910 0.197 1.00 0.00 H new ATOM 0 HD1 TYR A 175 3.661 -7.904 -0.042 1.00 0.00 H new ATOM 0 HD2 TYR A 175 0.368 -7.190 -2.650 1.00 0.00 H new ATOM 0 HE1 TYR A 175 4.935 -8.864 -1.908 1.00 0.00 H new ATOM 0 HE2 TYR A 175 1.640 -8.155 -4.517 1.00 0.00 H new ATOM 0 HH TYR A 175 3.533 -9.080 -5.184 1.00 0.00 H new ATOM 306 N GLU A 176 0.772 -7.292 3.547 1.00 0.00 N ATOM 307 CA GLU A 176 0.089 -6.713 4.702 1.00 0.00 C ATOM 308 C GLU A 176 -0.299 -5.256 4.458 1.00 0.00 C ATOM 309 O GLU A 176 0.422 -4.509 3.801 1.00 0.00 O ATOM 310 CB GLU A 176 0.974 -6.813 5.947 1.00 0.00 C ATOM 311 CG GLU A 176 0.241 -7.334 7.171 1.00 0.00 C ATOM 312 CD GLU A 176 1.084 -7.256 8.430 1.00 0.00 C ATOM 313 OE1 GLU A 176 2.228 -7.756 8.410 1.00 0.00 O ATOM 314 OE2 GLU A 176 0.598 -6.695 9.435 1.00 0.00 O ATOM 0 H GLU A 176 1.599 -7.841 3.781 1.00 0.00 H new ATOM 0 HA GLU A 176 -0.827 -7.283 4.860 1.00 0.00 H new ATOM 0 HB2 GLU A 176 1.817 -7.469 5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 176 1.385 -5.829 6.171 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -0.674 -6.760 7.314 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -0.056 -8.369 7.000 1.00 0.00 H new ATOM 321 N ARG A 177 -1.451 -4.873 4.997 1.00 0.00 N ATOM 322 CA ARG A 177 -1.977 -3.518 4.856 1.00 0.00 C ATOM 323 C ARG A 177 -0.906 -2.459 5.084 1.00 0.00 C ATOM 324 O ARG A 177 -0.964 -1.379 4.509 1.00 0.00 O ATOM 325 CB ARG A 177 -3.137 -3.305 5.846 1.00 0.00 C ATOM 326 CG ARG A 177 -2.888 -2.246 6.921 1.00 0.00 C ATOM 327 CD ARG A 177 -3.715 -2.503 8.173 1.00 0.00 C ATOM 328 NE ARG A 177 -4.590 -3.665 8.035 1.00 0.00 N ATOM 329 CZ ARG A 177 -5.731 -3.652 7.351 1.00 0.00 C ATOM 330 NH1 ARG A 177 -6.132 -2.543 6.748 1.00 0.00 N ATOM 331 NH2 ARG A 177 -6.471 -4.749 7.271 1.00 0.00 N ATOM 0 H ARG A 177 -2.048 -5.493 5.545 1.00 0.00 H new ATOM 0 HA ARG A 177 -2.334 -3.409 3.832 1.00 0.00 H new ATOM 0 HB2 ARG A 177 -4.028 -3.026 5.283 1.00 0.00 H new ATOM 0 HB3 ARG A 177 -3.354 -4.254 6.336 1.00 0.00 H new ATOM 0 HG2 ARG A 177 -1.830 -2.235 7.181 1.00 0.00 H new ATOM 0 HG3 ARG A 177 -3.129 -1.260 6.523 1.00 0.00 H new ATOM 0 HD2 ARG A 177 -3.047 -2.653 9.021 1.00 0.00 H new ATOM 0 HD3 ARG A 177 -4.318 -1.622 8.394 1.00 0.00 H new ATOM 0 HE ARG A 177 -4.310 -4.535 8.488 1.00 0.00 H new ATOM 0 HH11 ARG A 177 -5.566 -1.697 6.808 1.00 0.00 H new ATOM 0 HH12 ARG A 177 -7.007 -2.535 6.224 1.00 0.00 H new ATOM 0 HH21 ARG A 177 -6.166 -5.605 7.734 1.00 0.00 H new ATOM 0 HH22 ARG A 177 -7.346 -4.737 6.746 1.00 0.00 H new ATOM 345 N GLU A 178 0.027 -2.742 5.973 1.00 0.00 N ATOM 346 CA GLU A 178 1.056 -1.766 6.310 1.00 0.00 C ATOM 347 C GLU A 178 2.179 -1.684 5.281 1.00 0.00 C ATOM 348 O GLU A 178 2.753 -0.616 5.081 1.00 0.00 O ATOM 349 CB GLU A 178 1.634 -2.058 7.695 1.00 0.00 C ATOM 350 CG GLU A 178 1.818 -0.816 8.551 1.00 0.00 C ATOM 351 CD GLU A 178 0.500 -0.192 8.963 1.00 0.00 C ATOM 352 OE1 GLU A 178 -0.389 -0.935 9.431 1.00 0.00 O ATOM 353 OE2 GLU A 178 0.354 1.039 8.817 1.00 0.00 O ATOM 0 H GLU A 178 0.097 -3.629 6.472 1.00 0.00 H new ATOM 0 HA GLU A 178 0.564 -0.793 6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 178 0.975 -2.753 8.215 1.00 0.00 H new ATOM 0 HB3 GLU A 178 2.597 -2.556 7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 178 2.388 -1.075 9.443 1.00 0.00 H new ATOM 0 HG3 GLU A 178 2.406 -0.083 7.999 1.00 0.00 H new ATOM 360 N ARG A 179 2.507 -2.793 4.638 1.00 0.00 N ATOM 361 CA ARG A 179 3.568 -2.797 3.653 1.00 0.00 C ATOM 362 C ARG A 179 3.119 -2.104 2.382 1.00 0.00 C ATOM 363 O ARG A 179 3.885 -1.407 1.714 1.00 0.00 O ATOM 364 CB ARG A 179 3.967 -4.230 3.343 1.00 0.00 C ATOM 365 CG ARG A 179 4.685 -4.930 4.486 1.00 0.00 C ATOM 366 CD ARG A 179 6.081 -5.374 4.076 1.00 0.00 C ATOM 367 NE ARG A 179 7.109 -4.444 4.537 1.00 0.00 N ATOM 368 CZ ARG A 179 7.520 -4.368 5.797 1.00 0.00 C ATOM 369 NH1 ARG A 179 6.994 -5.164 6.718 1.00 0.00 N ATOM 370 NH2 ARG A 179 8.458 -3.496 6.139 1.00 0.00 N ATOM 0 H ARG A 179 2.055 -3.696 4.782 1.00 0.00 H new ATOM 0 HA ARG A 179 4.424 -2.257 4.058 1.00 0.00 H new ATOM 0 HB2 ARG A 179 3.073 -4.798 3.086 1.00 0.00 H new ATOM 0 HB3 ARG A 179 4.612 -4.235 2.464 1.00 0.00 H new ATOM 0 HG2 ARG A 179 4.752 -4.258 5.341 1.00 0.00 H new ATOM 0 HG3 ARG A 179 4.105 -5.796 4.806 1.00 0.00 H new ATOM 0 HD2 ARG A 179 6.280 -6.365 4.483 1.00 0.00 H new ATOM 0 HD3 ARG A 179 6.130 -5.459 2.990 1.00 0.00 H new ATOM 0 HE ARG A 179 7.535 -3.818 3.853 1.00 0.00 H new ATOM 0 HH11 ARG A 179 6.272 -5.836 6.459 1.00 0.00 H new ATOM 0 HH12 ARG A 179 7.311 -5.104 7.686 1.00 0.00 H new ATOM 0 HH21 ARG A 179 8.865 -2.882 5.434 1.00 0.00 H new ATOM 0 HH22 ARG A 179 8.773 -3.439 7.108 1.00 0.00 H new ATOM 384 N VAL A 180 1.861 -2.304 2.075 1.00 0.00 N ATOM 385 CA VAL A 180 1.246 -1.723 0.891 1.00 0.00 C ATOM 386 C VAL A 180 0.892 -0.274 1.132 1.00 0.00 C ATOM 387 O VAL A 180 1.279 0.585 0.353 1.00 0.00 O ATOM 388 CB VAL A 180 0.029 -2.556 0.444 1.00 0.00 C ATOM 389 CG1 VAL A 180 -0.557 -3.305 1.622 1.00 0.00 C ATOM 390 CG2 VAL A 180 -1.012 -1.702 -0.250 1.00 0.00 C ATOM 0 H VAL A 180 1.227 -2.874 2.635 1.00 0.00 H new ATOM 0 HA VAL A 180 1.966 -1.746 0.073 1.00 0.00 H new ATOM 0 HB VAL A 180 0.371 -3.288 -0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -1.416 -3.889 1.291 1.00 0.00 H new ATOM 0 HG12 VAL A 180 0.196 -3.973 2.040 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -0.874 -2.593 2.384 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -1.854 -2.326 -0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -1.360 -0.926 0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -0.572 -1.238 -1.133 1.00 0.00 H new ATOM 400 N VAL A 181 0.196 0.003 2.224 1.00 0.00 N ATOM 401 CA VAL A 181 -0.155 1.373 2.558 1.00 0.00 C ATOM 402 C VAL A 181 1.111 2.190 2.723 1.00 0.00 C ATOM 403 O VAL A 181 1.199 3.334 2.282 1.00 0.00 O ATOM 404 CB VAL A 181 -1.013 1.453 3.838 1.00 0.00 C ATOM 405 CG1 VAL A 181 -0.163 1.661 5.075 1.00 0.00 C ATOM 406 CG2 VAL A 181 -2.014 2.563 3.734 1.00 0.00 C ATOM 0 H VAL A 181 -0.134 -0.697 2.889 1.00 0.00 H new ATOM 0 HA VAL A 181 -0.754 1.778 1.743 1.00 0.00 H new ATOM 0 HB VAL A 181 -1.531 0.499 3.933 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -0.806 1.712 5.954 1.00 0.00 H new ATOM 0 HG12 VAL A 181 0.533 0.829 5.182 1.00 0.00 H new ATOM 0 HG13 VAL A 181 0.396 2.592 4.980 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -2.609 2.603 4.646 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -1.493 3.511 3.599 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -2.669 2.384 2.881 1.00 0.00 H new ATOM 416 N ALA A 182 2.103 1.558 3.329 1.00 0.00 N ATOM 417 CA ALA A 182 3.400 2.185 3.511 1.00 0.00 C ATOM 418 C ALA A 182 4.020 2.328 2.141 1.00 0.00 C ATOM 419 O ALA A 182 4.797 3.247 1.877 1.00 0.00 O ATOM 420 CB ALA A 182 4.291 1.341 4.436 1.00 0.00 C ATOM 0 H ALA A 182 2.034 0.611 3.703 1.00 0.00 H new ATOM 0 HA ALA A 182 3.293 3.161 3.985 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.257 1.831 4.557 1.00 0.00 H new ATOM 0 HB2 ALA A 182 3.811 1.239 5.409 1.00 0.00 H new ATOM 0 HB3 ALA A 182 4.437 0.353 3.998 1.00 0.00 H new ATOM 426 N ALA A 183 3.624 1.420 1.254 1.00 0.00 N ATOM 427 CA ALA A 183 4.083 1.443 -0.115 1.00 0.00 C ATOM 428 C ALA A 183 3.287 2.481 -0.895 1.00 0.00 C ATOM 429 O ALA A 183 3.709 2.930 -1.952 1.00 0.00 O ATOM 430 CB ALA A 183 3.945 0.068 -0.741 1.00 0.00 C ATOM 0 H ALA A 183 2.982 0.657 1.469 1.00 0.00 H new ATOM 0 HA ALA A 183 5.138 1.716 -0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 183 4.295 0.101 -1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.542 -0.650 -0.178 1.00 0.00 H new ATOM 0 HB3 ALA A 183 2.899 -0.237 -0.722 1.00 0.00 H new ATOM 436 N LEU A 184 2.141 2.881 -0.335 1.00 0.00 N ATOM 437 CA LEU A 184 1.295 3.900 -0.947 1.00 0.00 C ATOM 438 C LEU A 184 1.864 5.263 -0.589 1.00 0.00 C ATOM 439 O LEU A 184 1.824 6.206 -1.367 1.00 0.00 O ATOM 440 CB LEU A 184 -0.147 3.791 -0.455 1.00 0.00 C ATOM 441 CG LEU A 184 -0.831 2.438 -0.685 1.00 0.00 C ATOM 442 CD1 LEU A 184 -2.208 2.402 -0.040 1.00 0.00 C ATOM 443 CD2 LEU A 184 -0.948 2.147 -2.167 1.00 0.00 C ATOM 0 H LEU A 184 1.780 2.511 0.544 1.00 0.00 H new ATOM 0 HA LEU A 184 1.284 3.759 -2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -0.164 4.008 0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -0.738 4.564 -0.947 1.00 0.00 H new ATOM 0 HG LEU A 184 -0.213 1.670 -0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -2.669 1.431 -0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -2.111 2.565 1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -2.832 3.185 -0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -1.436 1.183 -2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -1.539 2.928 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.047 2.121 -2.612 1.00 0.00 H new ATOM 455 N ARG A 185 2.446 5.344 0.592 1.00 0.00 N ATOM 456 CA ARG A 185 3.083 6.572 1.019 1.00 0.00 C ATOM 457 C ARG A 185 4.476 6.602 0.417 1.00 0.00 C ATOM 458 O ARG A 185 5.083 7.662 0.261 1.00 0.00 O ATOM 459 CB ARG A 185 3.156 6.679 2.546 1.00 0.00 C ATOM 460 CG ARG A 185 2.897 5.372 3.268 1.00 0.00 C ATOM 461 CD ARG A 185 3.346 5.438 4.719 1.00 0.00 C ATOM 462 NE ARG A 185 4.797 5.522 4.840 1.00 0.00 N ATOM 463 CZ ARG A 185 5.420 6.015 5.906 1.00 0.00 C ATOM 464 NH1 ARG A 185 4.717 6.465 6.936 1.00 0.00 N ATOM 465 NH2 ARG A 185 6.745 6.056 5.942 1.00 0.00 N ATOM 0 H ARG A 185 2.490 4.581 1.267 1.00 0.00 H new ATOM 0 HA ARG A 185 2.494 7.423 0.677 1.00 0.00 H new ATOM 0 HB2 ARG A 185 4.142 7.049 2.827 1.00 0.00 H new ATOM 0 HB3 ARG A 185 2.430 7.419 2.883 1.00 0.00 H new ATOM 0 HG2 ARG A 185 1.834 5.136 3.226 1.00 0.00 H new ATOM 0 HG3 ARG A 185 3.423 4.564 2.760 1.00 0.00 H new ATOM 0 HD2 ARG A 185 2.892 6.304 5.200 1.00 0.00 H new ATOM 0 HD3 ARG A 185 2.989 4.555 5.249 1.00 0.00 H new ATOM 0 HE ARG A 185 5.365 5.184 4.064 1.00 0.00 H new ATOM 0 HH11 ARG A 185 3.698 6.433 6.911 1.00 0.00 H new ATOM 0 HH12 ARG A 185 5.195 6.843 7.754 1.00 0.00 H new ATOM 0 HH21 ARG A 185 7.288 5.709 5.151 1.00 0.00 H new ATOM 0 HH22 ARG A 185 7.221 6.435 6.761 1.00 0.00 H new ATOM 479 N ALA A 186 4.972 5.410 0.068 1.00 0.00 N ATOM 480 CA ALA A 186 6.288 5.274 -0.534 1.00 0.00 C ATOM 481 C ALA A 186 6.203 5.113 -2.055 1.00 0.00 C ATOM 482 O ALA A 186 7.221 5.155 -2.744 1.00 0.00 O ATOM 483 CB ALA A 186 7.027 4.099 0.085 1.00 0.00 C ATOM 0 H ALA A 186 4.475 4.528 0.195 1.00 0.00 H new ATOM 0 HA ALA A 186 6.843 6.191 -0.334 1.00 0.00 H new ATOM 0 HB1 ALA A 186 8.012 4.006 -0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 186 7.140 4.264 1.157 1.00 0.00 H new ATOM 0 HB3 ALA A 186 6.461 3.183 -0.084 1.00 0.00 H new ATOM 489 N SER A 187 4.984 4.948 -2.578 1.00 0.00 N ATOM 490 CA SER A 187 4.795 4.804 -4.022 1.00 0.00 C ATOM 491 C SER A 187 4.021 5.993 -4.581 1.00 0.00 C ATOM 492 O SER A 187 4.062 6.254 -5.782 1.00 0.00 O ATOM 493 CB SER A 187 4.066 3.504 -4.375 1.00 0.00 C ATOM 494 OG SER A 187 4.816 2.376 -3.963 1.00 0.00 O ATOM 0 H SER A 187 4.124 4.911 -2.030 1.00 0.00 H new ATOM 0 HA SER A 187 5.786 4.770 -4.474 1.00 0.00 H new ATOM 0 HB2 SER A 187 3.087 3.490 -3.896 1.00 0.00 H new ATOM 0 HB3 SER A 187 3.895 3.459 -5.451 1.00 0.00 H new ATOM 0 HG SER A 187 4.693 2.235 -3.001 1.00 0.00 H new ATOM 500 N TYR A 188 3.330 6.712 -3.684 1.00 0.00 N ATOM 501 CA TYR A 188 2.541 7.903 -4.039 1.00 0.00 C ATOM 502 C TYR A 188 1.028 7.653 -3.968 1.00 0.00 C ATOM 503 O TYR A 188 0.251 8.511 -4.385 1.00 0.00 O ATOM 504 CB TYR A 188 2.902 8.417 -5.435 1.00 0.00 C ATOM 505 CG TYR A 188 2.263 9.750 -5.784 1.00 0.00 C ATOM 506 CD1 TYR A 188 2.511 10.887 -5.019 1.00 0.00 C ATOM 507 CD2 TYR A 188 1.410 9.872 -6.875 1.00 0.00 C ATOM 508 CE1 TYR A 188 1.930 12.099 -5.333 1.00 0.00 C ATOM 509 CE2 TYR A 188 0.826 11.084 -7.193 1.00 0.00 C ATOM 510 CZ TYR A 188 1.088 12.194 -6.419 1.00 0.00 C ATOM 511 OH TYR A 188 0.508 13.401 -6.734 1.00 0.00 O ATOM 0 H TYR A 188 3.302 6.484 -2.690 1.00 0.00 H new ATOM 0 HA TYR A 188 2.795 8.659 -3.296 1.00 0.00 H new ATOM 0 HB2 TYR A 188 3.985 8.515 -5.507 1.00 0.00 H new ATOM 0 HB3 TYR A 188 2.599 7.675 -6.174 1.00 0.00 H new ATOM 0 HD1 TYR A 188 3.169 10.819 -4.165 1.00 0.00 H new ATOM 0 HD2 TYR A 188 1.200 9.005 -7.484 1.00 0.00 H new ATOM 0 HE1 TYR A 188 2.135 12.970 -4.729 1.00 0.00 H new ATOM 0 HE2 TYR A 188 0.167 11.161 -8.045 1.00 0.00 H new ATOM 0 HH TYR A 188 -0.056 13.295 -7.528 1.00 0.00 H new ATOM 521 N ASN A 189 0.625 6.481 -3.454 1.00 0.00 N ATOM 522 CA ASN A 189 -0.787 6.104 -3.331 1.00 0.00 C ATOM 523 C ASN A 189 -1.107 4.996 -4.307 1.00 0.00 C ATOM 524 O ASN A 189 -2.059 4.239 -4.124 1.00 0.00 O ATOM 525 CB ASN A 189 -1.731 7.280 -3.568 1.00 0.00 C ATOM 526 CG ASN A 189 -3.184 6.912 -3.340 1.00 0.00 C ATOM 527 OD1 ASN A 189 -3.696 5.961 -3.931 1.00 0.00 O ATOM 528 ND2 ASN A 189 -3.857 7.666 -2.479 1.00 0.00 N ATOM 0 H ASN A 189 1.271 5.769 -3.112 1.00 0.00 H new ATOM 0 HA ASN A 189 -0.940 5.764 -2.307 1.00 0.00 H new ATOM 0 HB2 ASN A 189 -1.459 8.100 -2.904 1.00 0.00 H new ATOM 0 HB3 ASN A 189 -1.607 7.642 -4.589 1.00 0.00 H new ATOM 0 HD21 ASN A 189 -4.838 7.467 -2.285 1.00 0.00 H new ATOM 0 HD22 ASN A 189 -3.393 8.445 -2.012 1.00 0.00 H new ATOM 535 N ASN A 190 -0.289 4.898 -5.340 1.00 0.00 N ATOM 536 CA ASN A 190 -0.470 3.867 -6.339 1.00 0.00 C ATOM 537 C ASN A 190 -0.420 2.510 -5.674 1.00 0.00 C ATOM 538 O ASN A 190 0.287 2.331 -4.686 1.00 0.00 O ATOM 539 CB ASN A 190 0.628 3.900 -7.386 1.00 0.00 C ATOM 540 CG ASN A 190 1.250 5.263 -7.587 1.00 0.00 C ATOM 541 OD1 ASN A 190 2.006 5.752 -6.748 1.00 0.00 O ATOM 542 ND2 ASN A 190 0.945 5.877 -8.716 1.00 0.00 N ATOM 0 H ASN A 190 0.503 5.519 -5.506 1.00 0.00 H new ATOM 0 HA ASN A 190 -1.432 4.045 -6.819 1.00 0.00 H new ATOM 0 HB2 ASN A 190 1.409 3.195 -7.100 1.00 0.00 H new ATOM 0 HB3 ASN A 190 0.220 3.555 -8.336 1.00 0.00 H new ATOM 0 HD21 ASN A 190 1.341 6.794 -8.921 1.00 0.00 H new ATOM 0 HD22 ASN A 190 0.313 5.434 -9.383 1.00 0.00 H new ATOM 549 N PRO A 191 -1.162 1.536 -6.199 1.00 0.00 N ATOM 550 CA PRO A 191 -1.208 0.180 -5.676 1.00 0.00 C ATOM 551 C PRO A 191 -0.190 -0.715 -6.368 1.00 0.00 C ATOM 552 O PRO A 191 0.729 -1.215 -5.742 1.00 0.00 O ATOM 553 CB PRO A 191 -2.609 -0.279 -6.036 1.00 0.00 C ATOM 554 CG PRO A 191 -3.201 0.831 -6.862 1.00 0.00 C ATOM 555 CD PRO A 191 -2.039 1.649 -7.348 1.00 0.00 C ATOM 0 HA PRO A 191 -0.982 0.137 -4.610 1.00 0.00 H new ATOM 0 HB2 PRO A 191 -2.583 -1.213 -6.597 1.00 0.00 H new ATOM 0 HB3 PRO A 191 -3.204 -0.461 -5.141 1.00 0.00 H new ATOM 0 HG2 PRO A 191 -3.774 0.432 -7.699 1.00 0.00 H new ATOM 0 HG3 PRO A 191 -3.884 1.438 -6.268 1.00 0.00 H new ATOM 0 HD2 PRO A 191 -1.593 1.243 -8.256 1.00 0.00 H new ATOM 0 HD3 PRO A 191 -2.315 2.681 -7.563 1.00 0.00 H new ATOM 563 N HIS A 192 -0.377 -0.900 -7.678 1.00 0.00 N ATOM 564 CA HIS A 192 0.516 -1.714 -8.499 1.00 0.00 C ATOM 565 C HIS A 192 1.954 -1.251 -8.332 1.00 0.00 C ATOM 566 O HIS A 192 2.875 -2.058 -8.320 1.00 0.00 O ATOM 567 CB HIS A 192 0.098 -1.603 -9.964 1.00 0.00 C ATOM 568 CG HIS A 192 0.487 -2.788 -10.794 1.00 0.00 C ATOM 569 ND1 HIS A 192 -0.404 -3.470 -11.594 1.00 0.00 N ATOM 570 CD2 HIS A 192 1.680 -3.410 -10.944 1.00 0.00 C ATOM 571 CE1 HIS A 192 0.225 -4.462 -12.200 1.00 0.00 C ATOM 572 NE2 HIS A 192 1.489 -4.446 -11.823 1.00 0.00 N ATOM 0 H HIS A 192 -1.153 -0.488 -8.197 1.00 0.00 H new ATOM 0 HA HIS A 192 0.448 -2.754 -8.179 1.00 0.00 H new ATOM 0 HB2 HIS A 192 -0.983 -1.474 -10.015 1.00 0.00 H new ATOM 0 HB3 HIS A 192 0.546 -0.707 -10.393 1.00 0.00 H new ATOM 0 HD2 HIS A 192 2.608 -3.141 -10.462 1.00 0.00 H new ATOM 0 HE1 HIS A 192 -0.220 -5.166 -12.887 1.00 0.00 H new ATOM 0 HE2 HIS A 192 2.208 -5.099 -12.135 1.00 0.00 H new ATOM 580 N ARG A 193 2.141 0.050 -8.166 1.00 0.00 N ATOM 581 CA ARG A 193 3.471 0.591 -7.941 1.00 0.00 C ATOM 582 C ARG A 193 3.802 0.384 -6.473 1.00 0.00 C ATOM 583 O ARG A 193 4.961 0.253 -6.086 1.00 0.00 O ATOM 584 CB ARG A 193 3.534 2.076 -8.300 1.00 0.00 C ATOM 585 CG ARG A 193 4.928 2.669 -8.209 1.00 0.00 C ATOM 586 CD ARG A 193 4.876 4.167 -7.968 1.00 0.00 C ATOM 587 NE ARG A 193 4.255 4.879 -9.081 1.00 0.00 N ATOM 588 CZ ARG A 193 4.450 6.170 -9.329 1.00 0.00 C ATOM 589 NH1 ARG A 193 5.243 6.887 -8.544 1.00 0.00 N ATOM 590 NH2 ARG A 193 3.849 6.748 -10.359 1.00 0.00 N ATOM 0 H ARG A 193 1.395 0.745 -8.183 1.00 0.00 H new ATOM 0 HA ARG A 193 4.194 0.081 -8.577 1.00 0.00 H new ATOM 0 HB2 ARG A 193 3.157 2.212 -9.314 1.00 0.00 H new ATOM 0 HB3 ARG A 193 2.870 2.629 -7.636 1.00 0.00 H new ATOM 0 HG2 ARG A 193 5.478 2.187 -7.401 1.00 0.00 H new ATOM 0 HG3 ARG A 193 5.473 2.466 -9.131 1.00 0.00 H new ATOM 0 HD2 ARG A 193 4.319 4.368 -7.053 1.00 0.00 H new ATOM 0 HD3 ARG A 193 5.887 4.545 -7.815 1.00 0.00 H new ATOM 0 HE ARG A 193 3.637 4.357 -9.703 1.00 0.00 H new ATOM 0 HH11 ARG A 193 5.705 6.448 -7.748 1.00 0.00 H new ATOM 0 HH12 ARG A 193 5.391 7.878 -8.737 1.00 0.00 H new ATOM 0 HH21 ARG A 193 3.235 6.202 -10.963 1.00 0.00 H new ATOM 0 HH22 ARG A 193 4.000 7.739 -10.547 1.00 0.00 H new ATOM 604 N ALA A 194 2.735 0.315 -5.678 1.00 0.00 N ATOM 605 CA ALA A 194 2.814 0.081 -4.248 1.00 0.00 C ATOM 606 C ALA A 194 3.224 -1.347 -3.989 1.00 0.00 C ATOM 607 O ALA A 194 3.711 -1.694 -2.915 1.00 0.00 O ATOM 608 CB ALA A 194 1.446 0.328 -3.631 1.00 0.00 C ATOM 0 H ALA A 194 1.780 0.422 -6.020 1.00 0.00 H new ATOM 0 HA ALA A 194 3.550 0.754 -3.808 1.00 0.00 H new ATOM 0 HB1 ALA A 194 1.495 0.155 -2.556 1.00 0.00 H new ATOM 0 HB2 ALA A 194 1.143 1.358 -3.819 1.00 0.00 H new ATOM 0 HB3 ALA A 194 0.718 -0.351 -4.075 1.00 0.00 H new ATOM 614 N VAL A 195 2.998 -2.174 -4.993 1.00 0.00 N ATOM 615 CA VAL A 195 3.303 -3.569 -4.910 1.00 0.00 C ATOM 616 C VAL A 195 4.670 -3.840 -5.488 1.00 0.00 C ATOM 617 O VAL A 195 5.497 -4.497 -4.873 1.00 0.00 O ATOM 618 CB VAL A 195 2.194 -4.379 -5.584 1.00 0.00 C ATOM 619 CG1 VAL A 195 0.854 -3.703 -5.397 1.00 0.00 C ATOM 620 CG2 VAL A 195 2.468 -4.650 -7.045 1.00 0.00 C ATOM 0 H VAL A 195 2.597 -1.886 -5.885 1.00 0.00 H new ATOM 0 HA VAL A 195 3.341 -3.884 -3.867 1.00 0.00 H new ATOM 0 HB VAL A 195 2.169 -5.352 -5.093 1.00 0.00 H new ATOM 0 HG11 VAL A 195 0.078 -4.294 -5.883 1.00 0.00 H new ATOM 0 HG12 VAL A 195 0.634 -3.620 -4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 195 0.884 -2.708 -5.840 1.00 0.00 H new ATOM 0 HG21 VAL A 195 1.646 -5.228 -7.468 1.00 0.00 H new ATOM 0 HG22 VAL A 195 2.560 -3.704 -7.580 1.00 0.00 H new ATOM 0 HG23 VAL A 195 3.396 -5.213 -7.143 1.00 0.00 H new ATOM 630 N GLU A 196 4.942 -3.243 -6.622 1.00 0.00 N ATOM 631 CA GLU A 196 6.273 -3.344 -7.188 1.00 0.00 C ATOM 632 C GLU A 196 7.208 -2.828 -6.106 1.00 0.00 C ATOM 633 O GLU A 196 8.374 -3.208 -6.018 1.00 0.00 O ATOM 634 CB GLU A 196 6.398 -2.508 -8.464 1.00 0.00 C ATOM 635 CG GLU A 196 6.645 -3.338 -9.714 1.00 0.00 C ATOM 636 CD GLU A 196 6.615 -2.505 -10.980 1.00 0.00 C ATOM 637 OE1 GLU A 196 7.606 -1.796 -11.247 1.00 0.00 O ATOM 638 OE2 GLU A 196 5.599 -2.563 -11.704 1.00 0.00 O ATOM 0 H GLU A 196 4.278 -2.692 -7.165 1.00 0.00 H new ATOM 0 HA GLU A 196 6.510 -4.368 -7.476 1.00 0.00 H new ATOM 0 HB2 GLU A 196 5.486 -1.927 -8.598 1.00 0.00 H new ATOM 0 HB3 GLU A 196 7.215 -1.796 -8.343 1.00 0.00 H new ATOM 0 HG2 GLU A 196 7.612 -3.833 -9.632 1.00 0.00 H new ATOM 0 HG3 GLU A 196 5.890 -4.122 -9.781 1.00 0.00 H new ATOM 645 N TYR A 197 6.625 -1.991 -5.239 1.00 0.00 N ATOM 646 CA TYR A 197 7.314 -1.441 -4.093 1.00 0.00 C ATOM 647 C TYR A 197 7.434 -2.544 -3.058 1.00 0.00 C ATOM 648 O TYR A 197 8.509 -2.814 -2.522 1.00 0.00 O ATOM 649 CB TYR A 197 6.504 -0.271 -3.537 1.00 0.00 C ATOM 650 CG TYR A 197 7.341 0.776 -2.868 1.00 0.00 C ATOM 651 CD1 TYR A 197 7.779 0.613 -1.565 1.00 0.00 C ATOM 652 CD2 TYR A 197 7.686 1.925 -3.552 1.00 0.00 C ATOM 653 CE1 TYR A 197 8.555 1.593 -0.954 1.00 0.00 C ATOM 654 CE2 TYR A 197 8.459 2.909 -2.955 1.00 0.00 C ATOM 655 CZ TYR A 197 8.889 2.736 -1.656 1.00 0.00 C ATOM 656 OH TYR A 197 9.658 3.706 -1.056 1.00 0.00 O ATOM 0 H TYR A 197 5.657 -1.682 -5.324 1.00 0.00 H new ATOM 0 HA TYR A 197 8.305 -1.076 -4.364 1.00 0.00 H new ATOM 0 HB2 TYR A 197 5.943 0.190 -4.350 1.00 0.00 H new ATOM 0 HB3 TYR A 197 5.775 -0.652 -2.822 1.00 0.00 H new ATOM 0 HD1 TYR A 197 7.517 -0.281 -1.019 1.00 0.00 H new ATOM 0 HD2 TYR A 197 7.348 2.059 -4.569 1.00 0.00 H new ATOM 0 HE1 TYR A 197 8.894 1.461 0.063 1.00 0.00 H new ATOM 0 HE2 TYR A 197 8.722 3.802 -3.502 1.00 0.00 H new ATOM 0 HH TYR A 197 9.666 3.564 -0.086 1.00 0.00 H new ATOM 666 N LEU A 198 6.306 -3.209 -2.834 1.00 0.00 N ATOM 667 CA LEU A 198 6.232 -4.338 -1.921 1.00 0.00 C ATOM 668 C LEU A 198 7.373 -5.297 -2.226 1.00 0.00 C ATOM 669 O LEU A 198 7.856 -6.027 -1.360 1.00 0.00 O ATOM 670 CB LEU A 198 4.900 -5.064 -2.146 1.00 0.00 C ATOM 671 CG LEU A 198 3.763 -4.787 -1.160 1.00 0.00 C ATOM 672 CD1 LEU A 198 4.146 -3.727 -0.165 1.00 0.00 C ATOM 673 CD2 LEU A 198 2.513 -4.368 -1.906 1.00 0.00 C ATOM 0 H LEU A 198 5.419 -2.979 -3.281 1.00 0.00 H new ATOM 0 HA LEU A 198 6.304 -3.992 -0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 198 4.546 -4.812 -3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 198 5.097 -6.136 -2.138 1.00 0.00 H new ATOM 0 HG LEU A 198 3.564 -5.709 -0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 198 3.316 -3.555 0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 198 5.020 -4.055 0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 198 4.380 -2.802 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 198 1.712 -4.174 -1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 198 2.717 -3.463 -2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 198 2.210 -5.165 -2.584 1.00 0.00 H new ATOM 685 N LEU A 199 7.776 -5.283 -3.488 1.00 0.00 N ATOM 686 CA LEU A 199 8.841 -6.135 -3.994 1.00 0.00 C ATOM 687 C LEU A 199 10.214 -5.576 -3.631 1.00 0.00 C ATOM 688 O LEU A 199 10.898 -6.101 -2.755 1.00 0.00 O ATOM 689 CB LEU A 199 8.704 -6.262 -5.516 1.00 0.00 C ATOM 690 CG LEU A 199 7.530 -7.118 -6.007 1.00 0.00 C ATOM 691 CD1 LEU A 199 7.956 -7.974 -7.189 1.00 0.00 C ATOM 692 CD2 LEU A 199 6.983 -7.992 -4.889 1.00 0.00 C ATOM 0 H LEU A 199 7.368 -4.673 -4.197 1.00 0.00 H new ATOM 0 HA LEU A 199 8.753 -7.119 -3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 199 8.603 -5.262 -5.938 1.00 0.00 H new ATOM 0 HB3 LEU A 199 9.628 -6.683 -5.912 1.00 0.00 H new ATOM 0 HG LEU A 199 6.735 -6.446 -6.329 1.00 0.00 H new ATOM 0 HD11 LEU A 199 7.112 -8.576 -7.526 1.00 0.00 H new ATOM 0 HD12 LEU A 199 8.290 -7.330 -8.003 1.00 0.00 H new ATOM 0 HD13 LEU A 199 8.772 -8.631 -6.887 1.00 0.00 H new ATOM 0 HD21 LEU A 199 6.152 -8.588 -5.266 1.00 0.00 H new ATOM 0 HD22 LEU A 199 7.769 -8.655 -4.527 1.00 0.00 H new ATOM 0 HD23 LEU A 199 6.635 -7.361 -4.071 1.00 0.00 H new ATOM 704 N THR A 200 10.609 -4.506 -4.314 1.00 0.00 N ATOM 705 CA THR A 200 11.902 -3.876 -4.064 1.00 0.00 C ATOM 706 C THR A 200 12.253 -3.922 -2.583 1.00 0.00 C ATOM 707 O THR A 200 13.295 -4.454 -2.197 1.00 0.00 O ATOM 708 CB THR A 200 11.889 -2.423 -4.548 1.00 0.00 C ATOM 709 OG1 THR A 200 11.354 -1.569 -3.552 1.00 0.00 O ATOM 710 CG2 THR A 200 11.084 -2.217 -5.810 1.00 0.00 C ATOM 0 H THR A 200 10.054 -4.058 -5.043 1.00 0.00 H new ATOM 0 HA THR A 200 12.659 -4.431 -4.618 1.00 0.00 H new ATOM 0 HB THR A 200 12.930 -2.181 -4.760 1.00 0.00 H new ATOM 0 HG1 THR A 200 10.508 -1.939 -3.224 1.00 0.00 H new ATOM 0 HG21 THR A 200 11.118 -1.166 -6.096 1.00 0.00 H new ATOM 0 HG22 THR A 200 11.503 -2.825 -6.612 1.00 0.00 H new ATOM 0 HG23 THR A 200 10.050 -2.512 -5.634 1.00 0.00 H new