USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 535 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 162 GLN : amide:sc= -1.01 K(o=-1.4,f=-2.3) USER MOD Set 1.2: A 217 MET CE :methyl -172:sc= -0.414 (180deg=-0.414) USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 MET CE :methyl -115:sc= 0 (180deg=-0.384) USER MOD Single : A 159 ASN : amide:sc= -2.2 K(o=-2.2,f=-11!) USER MOD Single : A 160 LYS NZ :NH3+ 159:sc= -0.118 (180deg=-0.578) USER MOD Single : A 161 GLN : amide:sc= -2.28 X(o=-2.3,f=-1.9) USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 176 ASN : amide:sc= -0.0496 X(o=-0.05,f=-0.1) USER MOD Single : A 180 CYS SG : rot 180:sc= 0 USER MOD Single : A 181 THR OG1 : rot 180:sc= -0.0423 USER MOD Single : A 190 SER OG : rot 23:sc= 0.235 USER MOD Single : A 191 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0188) USER MOD Single : A 193 CYS SG : rot -3:sc= -0.668 USER MOD Single : A 197 LYS NZ :NH3+ 160:sc= -0.15 (180deg=-0.748) USER MOD Single : A 198 TYR OH : rot 30:sc= -0.932 USER MOD Single : A 199 SER OG : rot 180:sc= 0 USER MOD Single : A 200 SER OG : rot 21:sc= 0.00573 USER MOD Single : A 201 HIS : no HD1:sc=-0.00756 X(o=-0.0076,f=-0.0076) USER MOD Single : A 205 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 209 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 212 HIS : no HE2:sc= -2.59! C(o=-2.6!,f=-10!) USER MOD Single : A 214 SER OG : rot 175:sc= 0 USER MOD Single : A 215 GLN : amide:sc= -0.418 K(o=-0.42,f=-1.1) USER MOD Single : A 216 THR OG1 : rot 180:sc= 0 USER MOD Single : A 221 SER OG : rot 180:sc= 0 USER MOD Single : A 222 SER OG : rot 180:sc= 0 USER MOD Single : A 223 SER OG : rot 180:sc= 0 USER MOD Single : A 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 217 N LYS A 152 5.967 2.310 3.281 1.00 0.00 N ATOM 218 CA LYS A 152 4.609 2.758 2.994 1.00 0.00 C ATOM 219 C LYS A 152 4.067 2.084 1.738 1.00 0.00 C ATOM 220 O LYS A 152 4.816 1.794 0.804 1.00 0.00 O ATOM 221 CB LYS A 152 4.578 4.279 2.824 1.00 0.00 C ATOM 222 CG LYS A 152 3.213 4.892 3.088 1.00 0.00 C ATOM 223 CD LYS A 152 3.315 6.384 3.357 1.00 0.00 C ATOM 224 CE LYS A 152 3.227 7.190 2.070 1.00 0.00 C ATOM 225 NZ LYS A 152 2.938 8.627 2.333 1.00 0.00 N ATOM 0 HA LYS A 152 3.975 2.479 3.836 1.00 0.00 H new ATOM 0 HB2 LYS A 152 5.305 4.727 3.501 1.00 0.00 H new ATOM 0 HB3 LYS A 152 4.890 4.529 1.810 1.00 0.00 H new ATOM 0 HG2 LYS A 152 2.563 4.720 2.230 1.00 0.00 H new ATOM 0 HG3 LYS A 152 2.750 4.398 3.942 1.00 0.00 H new ATOM 0 HD2 LYS A 152 2.516 6.688 4.033 1.00 0.00 H new ATOM 0 HD3 LYS A 152 4.258 6.601 3.859 1.00 0.00 H new ATOM 0 HE2 LYS A 152 4.165 7.103 1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 152 2.446 6.773 1.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 2.886 9.141 1.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 2.030 8.713 2.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 3.696 9.032 2.919 1.00 0.00 H new ATOM 239 N LEU A 153 2.762 1.839 1.721 1.00 0.00 N ATOM 240 CA LEU A 153 2.119 1.200 0.577 1.00 0.00 C ATOM 241 C LEU A 153 1.027 2.093 -0.003 1.00 0.00 C ATOM 242 O LEU A 153 0.139 2.553 0.716 1.00 0.00 O ATOM 243 CB LEU A 153 1.525 -0.149 0.989 1.00 0.00 C ATOM 244 CG LEU A 153 2.530 -1.240 1.360 1.00 0.00 C ATOM 245 CD1 LEU A 153 1.859 -2.325 2.187 1.00 0.00 C ATOM 246 CD2 LEU A 153 3.160 -1.833 0.107 1.00 0.00 C ATOM 0 H LEU A 153 2.128 2.073 2.485 1.00 0.00 H new ATOM 0 HA LEU A 153 2.876 1.038 -0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 153 0.864 0.013 1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 153 0.906 -0.516 0.170 1.00 0.00 H new ATOM 0 HG LEU A 153 3.320 -0.791 1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 153 2.590 -3.093 2.442 1.00 0.00 H new ATOM 0 HD12 LEU A 153 1.457 -1.889 3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 153 1.048 -2.772 1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 153 3.873 -2.608 0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 153 2.382 -2.267 -0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 153 3.677 -1.049 -0.446 1.00 0.00 H new ATOM 258 N PHE A 154 1.098 2.333 -1.308 1.00 0.00 N ATOM 259 CA PHE A 154 0.114 3.171 -1.985 1.00 0.00 C ATOM 260 C PHE A 154 -1.027 2.326 -2.543 1.00 0.00 C ATOM 261 O PHE A 154 -0.800 1.318 -3.211 1.00 0.00 O ATOM 262 CB PHE A 154 0.778 3.961 -3.115 1.00 0.00 C ATOM 263 CG PHE A 154 -0.196 4.732 -3.960 1.00 0.00 C ATOM 264 CD1 PHE A 154 -0.886 5.812 -3.433 1.00 0.00 C ATOM 265 CD2 PHE A 154 -0.420 4.377 -5.280 1.00 0.00 C ATOM 266 CE1 PHE A 154 -1.783 6.522 -4.208 1.00 0.00 C ATOM 267 CE2 PHE A 154 -1.316 5.084 -6.060 1.00 0.00 C ATOM 268 CZ PHE A 154 -1.997 6.159 -5.523 1.00 0.00 C ATOM 0 H PHE A 154 1.826 1.960 -1.918 1.00 0.00 H new ATOM 0 HA PHE A 154 -0.297 3.869 -1.255 1.00 0.00 H new ATOM 0 HB2 PHE A 154 1.503 4.653 -2.686 1.00 0.00 H new ATOM 0 HB3 PHE A 154 1.333 3.272 -3.752 1.00 0.00 H new ATOM 0 HD1 PHE A 154 -0.721 6.102 -2.406 1.00 0.00 H new ATOM 0 HD2 PHE A 154 0.111 3.538 -5.705 1.00 0.00 H new ATOM 0 HE1 PHE A 154 -2.317 7.361 -3.785 1.00 0.00 H new ATOM 0 HE2 PHE A 154 -1.483 4.796 -7.087 1.00 0.00 H new ATOM 0 HZ PHE A 154 -2.696 6.715 -6.131 1.00 0.00 H new ATOM 278 N VAL A 155 -2.257 2.745 -2.262 1.00 0.00 N ATOM 279 CA VAL A 155 -3.436 2.029 -2.735 1.00 0.00 C ATOM 280 C VAL A 155 -4.320 2.929 -3.591 1.00 0.00 C ATOM 281 O VAL A 155 -4.703 4.020 -3.171 1.00 0.00 O ATOM 282 CB VAL A 155 -4.267 1.478 -1.561 1.00 0.00 C ATOM 283 CG1 VAL A 155 -5.419 0.627 -2.074 1.00 0.00 C ATOM 284 CG2 VAL A 155 -3.385 0.679 -0.613 1.00 0.00 C ATOM 0 H VAL A 155 -2.463 3.577 -1.709 1.00 0.00 H new ATOM 0 HA VAL A 155 -3.078 1.196 -3.340 1.00 0.00 H new ATOM 0 HB VAL A 155 -4.686 2.320 -1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 155 -5.994 0.247 -1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 155 -6.064 1.233 -2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 155 -5.025 -0.210 -2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 155 -3.988 0.297 0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 155 -2.935 -0.156 -1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 155 -2.598 1.322 -0.219 1.00 0.00 H new ATOM 294 N GLY A 156 -4.641 2.464 -4.794 1.00 0.00 N ATOM 295 CA GLY A 156 -5.478 3.239 -5.690 1.00 0.00 C ATOM 296 C GLY A 156 -6.658 2.445 -6.214 1.00 0.00 C ATOM 297 O GLY A 156 -6.909 1.326 -5.767 1.00 0.00 O ATOM 0 H GLY A 156 -4.336 1.564 -5.164 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -5.843 4.123 -5.167 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -4.878 3.590 -6.530 1.00 0.00 H new ATOM 301 N MET A 157 -7.386 3.026 -7.162 1.00 0.00 N ATOM 302 CA MET A 157 -8.547 2.364 -7.746 1.00 0.00 C ATOM 303 C MET A 157 -9.495 1.868 -6.658 1.00 0.00 C ATOM 304 O MET A 157 -10.060 0.778 -6.763 1.00 0.00 O ATOM 305 CB MET A 157 -8.105 1.194 -8.626 1.00 0.00 C ATOM 306 CG MET A 157 -7.286 1.618 -9.834 1.00 0.00 C ATOM 307 SD MET A 157 -8.095 2.903 -10.807 1.00 0.00 S ATOM 308 CE MET A 157 -9.223 1.921 -11.793 1.00 0.00 C ATOM 0 H MET A 157 -7.193 3.953 -7.542 1.00 0.00 H new ATOM 0 HA MET A 157 -9.077 3.091 -8.361 1.00 0.00 H new ATOM 0 HB2 MET A 157 -7.518 0.499 -8.025 1.00 0.00 H new ATOM 0 HB3 MET A 157 -8.988 0.653 -8.967 1.00 0.00 H new ATOM 0 HG2 MET A 157 -6.313 1.979 -9.500 1.00 0.00 H new ATOM 0 HG3 MET A 157 -7.103 0.750 -10.467 1.00 0.00 H new ATOM 0 HE1 MET A 157 -8.945 1.994 -12.845 1.00 0.00 H new ATOM 0 HE2 MET A 157 -9.171 0.879 -11.476 1.00 0.00 H new ATOM 0 HE3 MET A 157 -10.240 2.291 -11.659 1.00 0.00 H new ATOM 318 N LEU A 158 -9.663 2.672 -5.615 1.00 0.00 N ATOM 319 CA LEU A 158 -10.542 2.314 -4.507 1.00 0.00 C ATOM 320 C LEU A 158 -11.942 2.883 -4.716 1.00 0.00 C ATOM 321 O LEU A 158 -12.170 3.674 -5.630 1.00 0.00 O ATOM 322 CB LEU A 158 -9.964 2.825 -3.186 1.00 0.00 C ATOM 323 CG LEU A 158 -8.714 2.107 -2.678 1.00 0.00 C ATOM 324 CD1 LEU A 158 -8.009 2.944 -1.622 1.00 0.00 C ATOM 325 CD2 LEU A 158 -9.075 0.737 -2.121 1.00 0.00 C ATOM 0 H LEU A 158 -9.202 3.576 -5.513 1.00 0.00 H new ATOM 0 HA LEU A 158 -10.614 1.227 -4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -9.729 3.883 -3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -10.737 2.751 -2.421 1.00 0.00 H new ATOM 0 HG LEU A 158 -8.032 1.968 -3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -7.122 2.416 -1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -7.716 3.901 -2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -8.684 3.115 -0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -8.173 0.240 -1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -9.776 0.853 -1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -9.535 0.135 -2.905 1.00 0.00 H new ATOM 337 N ASN A 159 -12.875 2.476 -3.862 1.00 0.00 N ATOM 338 CA ASN A 159 -14.252 2.946 -3.953 1.00 0.00 C ATOM 339 C ASN A 159 -14.519 4.049 -2.933 1.00 0.00 C ATOM 340 O ASN A 159 -13.785 4.197 -1.955 1.00 0.00 O ATOM 341 CB ASN A 159 -15.225 1.786 -3.732 1.00 0.00 C ATOM 342 CG ASN A 159 -16.646 2.140 -4.128 1.00 0.00 C ATOM 343 OD1 ASN A 159 -17.573 2.021 -3.327 1.00 0.00 O ATOM 344 ND2 ASN A 159 -16.822 2.577 -5.369 1.00 0.00 N ATOM 0 H ASN A 159 -12.702 1.822 -3.099 1.00 0.00 H new ATOM 0 HA ASN A 159 -14.405 3.354 -4.952 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -14.894 0.923 -4.309 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -15.205 1.494 -2.682 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -17.755 2.830 -5.693 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -16.024 2.660 -5.999 1.00 0.00 H new ATOM 351 N LYS A 160 -15.574 4.821 -3.167 1.00 0.00 N ATOM 352 CA LYS A 160 -15.941 5.910 -2.268 1.00 0.00 C ATOM 353 C LYS A 160 -16.895 5.422 -1.183 1.00 0.00 C ATOM 354 O LYS A 160 -17.782 6.157 -0.749 1.00 0.00 O ATOM 355 CB LYS A 160 -16.587 7.052 -3.055 1.00 0.00 C ATOM 356 CG LYS A 160 -15.593 8.084 -3.558 1.00 0.00 C ATOM 357 CD LYS A 160 -16.276 9.398 -3.897 1.00 0.00 C ATOM 358 CE LYS A 160 -15.378 10.292 -4.739 1.00 0.00 C ATOM 359 NZ LYS A 160 -15.071 9.681 -6.062 1.00 0.00 N ATOM 0 H LYS A 160 -16.191 4.713 -3.972 1.00 0.00 H new ATOM 0 HA LYS A 160 -15.032 6.275 -1.790 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -17.127 6.636 -3.905 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -17.323 7.547 -2.422 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -14.830 8.255 -2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -15.084 7.699 -4.442 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -17.202 9.199 -4.436 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -16.548 9.916 -2.977 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -15.863 11.257 -4.888 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -14.449 10.482 -4.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -14.777 10.424 -6.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -14.303 8.988 -5.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -15.919 9.204 -6.429 1.00 0.00 H new ATOM 373 N GLN A 161 -16.705 4.180 -0.749 1.00 0.00 N ATOM 374 CA GLN A 161 -17.550 3.596 0.286 1.00 0.00 C ATOM 375 C GLN A 161 -16.704 3.017 1.415 1.00 0.00 C ATOM 376 O GLN A 161 -17.013 3.202 2.592 1.00 0.00 O ATOM 377 CB GLN A 161 -18.443 2.506 -0.309 1.00 0.00 C ATOM 378 CG GLN A 161 -17.703 1.214 -0.617 1.00 0.00 C ATOM 379 CD GLN A 161 -18.561 0.214 -1.366 1.00 0.00 C ATOM 380 OE1 GLN A 161 -19.778 0.377 -1.469 1.00 0.00 O ATOM 381 NE2 GLN A 161 -17.932 -0.829 -1.894 1.00 0.00 N ATOM 0 H GLN A 161 -15.974 3.560 -1.098 1.00 0.00 H new ATOM 0 HA GLN A 161 -18.179 4.386 0.696 1.00 0.00 H new ATOM 0 HB2 GLN A 161 -19.255 2.293 0.387 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -18.899 2.881 -1.225 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -16.816 1.440 -1.208 1.00 0.00 H new ATOM 0 HG3 GLN A 161 -17.359 0.766 0.315 1.00 0.00 H new ATOM 0 HE21 GLN A 161 -16.922 -0.925 -1.785 1.00 0.00 H new ATOM 0 HE22 GLN A 161 -18.458 -1.535 -2.409 1.00 0.00 H new ATOM 390 N GLN A 162 -15.637 2.315 1.048 1.00 0.00 N ATOM 391 CA GLN A 162 -14.748 1.707 2.032 1.00 0.00 C ATOM 392 C GLN A 162 -14.391 2.702 3.131 1.00 0.00 C ATOM 393 O GLN A 162 -14.446 3.915 2.927 1.00 0.00 O ATOM 394 CB GLN A 162 -13.473 1.200 1.354 1.00 0.00 C ATOM 395 CG GLN A 162 -13.606 -0.201 0.779 1.00 0.00 C ATOM 396 CD GLN A 162 -12.272 -0.794 0.373 1.00 0.00 C ATOM 397 OE1 GLN A 162 -11.221 -0.185 0.578 1.00 0.00 O ATOM 398 NE2 GLN A 162 -12.306 -1.989 -0.205 1.00 0.00 N ATOM 0 H GLN A 162 -15.367 2.153 0.078 1.00 0.00 H new ATOM 0 HA GLN A 162 -15.271 0.865 2.485 1.00 0.00 H new ATOM 0 HB2 GLN A 162 -13.199 1.888 0.554 1.00 0.00 H new ATOM 0 HB3 GLN A 162 -12.658 1.211 2.077 1.00 0.00 H new ATOM 0 HG2 GLN A 162 -14.078 -0.849 1.517 1.00 0.00 H new ATOM 0 HG3 GLN A 162 -14.266 -0.173 -0.088 1.00 0.00 H new ATOM 0 HE21 GLN A 162 -13.199 -2.458 -0.355 1.00 0.00 H new ATOM 0 HE22 GLN A 162 -11.439 -2.438 -0.499 1.00 0.00 H new ATOM 407 N SER A 163 -14.026 2.182 4.298 1.00 0.00 N ATOM 408 CA SER A 163 -13.665 3.024 5.432 1.00 0.00 C ATOM 409 C SER A 163 -12.369 2.541 6.077 1.00 0.00 C ATOM 410 O SER A 163 -11.851 1.480 5.732 1.00 0.00 O ATOM 411 CB SER A 163 -14.791 3.033 6.467 1.00 0.00 C ATOM 412 OG SER A 163 -15.827 3.922 6.087 1.00 0.00 O ATOM 0 H SER A 163 -13.972 1.180 4.483 1.00 0.00 H new ATOM 0 HA SER A 163 -13.511 4.039 5.065 1.00 0.00 H new ATOM 0 HB2 SER A 163 -15.194 2.027 6.579 1.00 0.00 H new ATOM 0 HB3 SER A 163 -14.394 3.327 7.439 1.00 0.00 H new ATOM 0 HG SER A 163 -16.535 3.908 6.764 1.00 0.00 H new ATOM 418 N GLU A 164 -11.853 3.329 7.015 1.00 0.00 N ATOM 419 CA GLU A 164 -10.618 2.982 7.708 1.00 0.00 C ATOM 420 C GLU A 164 -10.723 1.600 8.348 1.00 0.00 C ATOM 421 O GLU A 164 -9.757 0.837 8.364 1.00 0.00 O ATOM 422 CB GLU A 164 -10.296 4.028 8.778 1.00 0.00 C ATOM 423 CG GLU A 164 -9.987 5.403 8.210 1.00 0.00 C ATOM 424 CD GLU A 164 -11.236 6.228 7.966 1.00 0.00 C ATOM 425 OE1 GLU A 164 -11.780 6.783 8.944 1.00 0.00 O ATOM 426 OE2 GLU A 164 -11.669 6.318 6.798 1.00 0.00 O ATOM 0 H GLU A 164 -12.271 4.211 7.312 1.00 0.00 H new ATOM 0 HA GLU A 164 -9.813 2.964 6.974 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -11.141 4.108 9.462 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -9.443 3.686 9.364 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -9.332 5.937 8.898 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -9.442 5.291 7.273 1.00 0.00 H new ATOM 433 N ASP A 165 -11.901 1.287 8.875 1.00 0.00 N ATOM 434 CA ASP A 165 -12.133 -0.002 9.516 1.00 0.00 C ATOM 435 C ASP A 165 -12.025 -1.139 8.505 1.00 0.00 C ATOM 436 O ASP A 165 -11.399 -2.165 8.773 1.00 0.00 O ATOM 437 CB ASP A 165 -13.510 -0.024 10.181 1.00 0.00 C ATOM 438 CG ASP A 165 -13.617 0.967 11.323 1.00 0.00 C ATOM 439 OD1 ASP A 165 -12.900 1.989 11.290 1.00 0.00 O ATOM 440 OD2 ASP A 165 -14.418 0.722 12.250 1.00 0.00 O ATOM 0 H ASP A 165 -12.710 1.908 8.871 1.00 0.00 H new ATOM 0 HA ASP A 165 -11.367 -0.144 10.279 1.00 0.00 H new ATOM 0 HB2 ASP A 165 -14.274 0.200 9.436 1.00 0.00 H new ATOM 0 HB3 ASP A 165 -13.714 -1.028 10.554 1.00 0.00 H new ATOM 445 N ASP A 166 -12.641 -0.951 7.343 1.00 0.00 N ATOM 446 CA ASP A 166 -12.614 -1.961 6.291 1.00 0.00 C ATOM 447 C ASP A 166 -11.183 -2.244 5.846 1.00 0.00 C ATOM 448 O ASP A 166 -10.707 -3.376 5.934 1.00 0.00 O ATOM 449 CB ASP A 166 -13.453 -1.505 5.096 1.00 0.00 C ATOM 450 CG ASP A 166 -14.911 -1.300 5.456 1.00 0.00 C ATOM 451 OD1 ASP A 166 -15.586 -2.297 5.786 1.00 0.00 O ATOM 452 OD2 ASP A 166 -15.378 -0.143 5.406 1.00 0.00 O ATOM 0 H ASP A 166 -13.165 -0.109 7.106 1.00 0.00 H new ATOM 0 HA ASP A 166 -13.038 -2.881 6.693 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -13.044 -0.574 4.703 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -13.379 -2.246 4.300 1.00 0.00 H new ATOM 457 N VAL A 167 -10.502 -1.208 5.366 1.00 0.00 N ATOM 458 CA VAL A 167 -9.125 -1.345 4.907 1.00 0.00 C ATOM 459 C VAL A 167 -8.207 -1.777 6.044 1.00 0.00 C ATOM 460 O VAL A 167 -7.303 -2.591 5.852 1.00 0.00 O ATOM 461 CB VAL A 167 -8.599 -0.026 4.309 1.00 0.00 C ATOM 462 CG1 VAL A 167 -7.133 -0.161 3.926 1.00 0.00 C ATOM 463 CG2 VAL A 167 -9.437 0.386 3.109 1.00 0.00 C ATOM 0 H VAL A 167 -10.882 -0.265 5.285 1.00 0.00 H new ATOM 0 HA VAL A 167 -9.124 -2.112 4.133 1.00 0.00 H new ATOM 0 HB VAL A 167 -8.681 0.755 5.065 1.00 0.00 H new ATOM 0 HG11 VAL A 167 -6.779 0.780 3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 167 -6.547 -0.406 4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 167 -7.022 -0.954 3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 167 -9.051 1.320 2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 167 -9.389 -0.392 2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 167 -10.472 0.526 3.419 1.00 0.00 H new ATOM 473 N ARG A 168 -8.444 -1.227 7.231 1.00 0.00 N ATOM 474 CA ARG A 168 -7.637 -1.554 8.400 1.00 0.00 C ATOM 475 C ARG A 168 -7.622 -3.060 8.645 1.00 0.00 C ATOM 476 O ARG A 168 -6.572 -3.699 8.578 1.00 0.00 O ATOM 477 CB ARG A 168 -8.175 -0.831 9.636 1.00 0.00 C ATOM 478 CG ARG A 168 -7.591 -1.342 10.943 1.00 0.00 C ATOM 479 CD ARG A 168 -8.416 -0.887 12.137 1.00 0.00 C ATOM 480 NE ARG A 168 -8.183 -1.722 13.313 1.00 0.00 N ATOM 481 CZ ARG A 168 -8.658 -1.438 14.521 1.00 0.00 C ATOM 482 NH1 ARG A 168 -9.387 -0.347 14.711 1.00 0.00 N ATOM 483 NH2 ARG A 168 -8.403 -2.247 15.541 1.00 0.00 N ATOM 0 H ARG A 168 -9.189 -0.553 7.408 1.00 0.00 H new ATOM 0 HA ARG A 168 -6.616 -1.223 8.210 1.00 0.00 H new ATOM 0 HB2 ARG A 168 -7.962 0.234 9.545 1.00 0.00 H new ATOM 0 HB3 ARG A 168 -9.259 -0.938 9.666 1.00 0.00 H new ATOM 0 HG2 ARG A 168 -7.548 -2.431 10.923 1.00 0.00 H new ATOM 0 HG3 ARG A 168 -6.567 -0.985 11.050 1.00 0.00 H new ATOM 0 HD2 ARG A 168 -8.171 0.149 12.373 1.00 0.00 H new ATOM 0 HD3 ARG A 168 -9.474 -0.913 11.878 1.00 0.00 H new ATOM 0 HE ARG A 168 -7.626 -2.569 13.201 1.00 0.00 H new ATOM 0 HH11 ARG A 168 -9.585 0.277 13.929 1.00 0.00 H new ATOM 0 HH12 ARG A 168 -9.750 -0.132 15.639 1.00 0.00 H new ATOM 0 HH21 ARG A 168 -7.842 -3.087 15.398 1.00 0.00 H new ATOM 0 HH22 ARG A 168 -8.768 -2.029 16.468 1.00 0.00 H new ATOM 497 N ARG A 169 -8.793 -3.620 8.929 1.00 0.00 N ATOM 498 CA ARG A 169 -8.914 -5.050 9.186 1.00 0.00 C ATOM 499 C ARG A 169 -8.475 -5.860 7.969 1.00 0.00 C ATOM 500 O ARG A 169 -7.615 -6.736 8.071 1.00 0.00 O ATOM 501 CB ARG A 169 -10.356 -5.404 9.554 1.00 0.00 C ATOM 502 CG ARG A 169 -10.690 -5.155 11.016 1.00 0.00 C ATOM 503 CD ARG A 169 -12.155 -5.437 11.308 1.00 0.00 C ATOM 504 NE ARG A 169 -12.532 -5.031 12.660 1.00 0.00 N ATOM 505 CZ ARG A 169 -13.615 -5.477 13.286 1.00 0.00 C ATOM 506 NH1 ARG A 169 -14.424 -6.339 12.687 1.00 0.00 N ATOM 507 NH2 ARG A 169 -13.890 -5.060 14.516 1.00 0.00 N ATOM 0 H ARG A 169 -9.672 -3.105 8.987 1.00 0.00 H new ATOM 0 HA ARG A 169 -8.261 -5.300 10.022 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -11.035 -4.822 8.931 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -10.534 -6.454 9.323 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -10.064 -5.787 11.646 1.00 0.00 H new ATOM 0 HG3 ARG A 169 -10.459 -4.121 11.272 1.00 0.00 H new ATOM 0 HD2 ARG A 169 -12.777 -4.910 10.585 1.00 0.00 H new ATOM 0 HD3 ARG A 169 -12.351 -6.502 11.181 1.00 0.00 H new ATOM 0 HE ARG A 169 -11.930 -4.369 13.150 1.00 0.00 H new ATOM 0 HH11 ARG A 169 -14.216 -6.662 11.742 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -15.255 -6.679 13.171 1.00 0.00 H new ATOM 0 HH21 ARG A 169 -13.269 -4.397 14.980 1.00 0.00 H new ATOM 0 HH22 ARG A 169 -14.722 -5.403 14.997 1.00 0.00 H new ATOM 521 N LEU A 170 -9.071 -5.562 6.820 1.00 0.00 N ATOM 522 CA LEU A 170 -8.743 -6.262 5.583 1.00 0.00 C ATOM 523 C LEU A 170 -7.234 -6.429 5.437 1.00 0.00 C ATOM 524 O LEU A 170 -6.717 -7.546 5.461 1.00 0.00 O ATOM 525 CB LEU A 170 -9.303 -5.502 4.380 1.00 0.00 C ATOM 526 CG LEU A 170 -9.442 -6.304 3.086 1.00 0.00 C ATOM 527 CD1 LEU A 170 -10.685 -7.180 3.132 1.00 0.00 C ATOM 528 CD2 LEU A 170 -9.489 -5.373 1.883 1.00 0.00 C ATOM 0 H LEU A 170 -9.784 -4.840 6.719 1.00 0.00 H new ATOM 0 HA LEU A 170 -9.198 -7.252 5.622 1.00 0.00 H new ATOM 0 HB2 LEU A 170 -10.284 -5.110 4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 170 -8.659 -4.645 4.185 1.00 0.00 H new ATOM 0 HG LEU A 170 -8.570 -6.950 2.987 1.00 0.00 H new ATOM 0 HD11 LEU A 170 -10.768 -7.743 2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 170 -10.611 -7.872 3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 170 -11.568 -6.553 3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 170 -9.588 -5.962 0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 170 -10.342 -4.701 1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 170 -8.570 -4.788 1.839 1.00 0.00 H new ATOM 540 N PHE A 171 -6.532 -5.310 5.286 1.00 0.00 N ATOM 541 CA PHE A 171 -5.081 -5.332 5.137 1.00 0.00 C ATOM 542 C PHE A 171 -4.433 -6.157 6.245 1.00 0.00 C ATOM 543 O PHE A 171 -3.914 -7.246 5.999 1.00 0.00 O ATOM 544 CB PHE A 171 -4.524 -3.908 5.154 1.00 0.00 C ATOM 545 CG PHE A 171 -4.652 -3.198 3.836 1.00 0.00 C ATOM 546 CD1 PHE A 171 -5.899 -2.958 3.282 1.00 0.00 C ATOM 547 CD2 PHE A 171 -3.525 -2.771 3.152 1.00 0.00 C ATOM 548 CE1 PHE A 171 -6.019 -2.306 2.069 1.00 0.00 C ATOM 549 CE2 PHE A 171 -3.639 -2.119 1.939 1.00 0.00 C ATOM 550 CZ PHE A 171 -4.888 -1.885 1.397 1.00 0.00 C ATOM 0 H PHE A 171 -6.944 -4.377 5.264 1.00 0.00 H new ATOM 0 HA PHE A 171 -4.846 -5.795 4.179 1.00 0.00 H new ATOM 0 HB2 PHE A 171 -5.044 -3.332 5.920 1.00 0.00 H new ATOM 0 HB3 PHE A 171 -3.472 -3.941 5.439 1.00 0.00 H new ATOM 0 HD1 PHE A 171 -6.787 -3.284 3.803 1.00 0.00 H new ATOM 0 HD2 PHE A 171 -2.546 -2.950 3.572 1.00 0.00 H new ATOM 0 HE1 PHE A 171 -6.997 -2.126 1.647 1.00 0.00 H new ATOM 0 HE2 PHE A 171 -2.753 -1.793 1.415 1.00 0.00 H new ATOM 0 HZ PHE A 171 -4.980 -1.374 0.450 1.00 0.00 H new ATOM 560 N GLU A 172 -4.466 -5.629 7.464 1.00 0.00 N ATOM 561 CA GLU A 172 -3.881 -6.316 8.610 1.00 0.00 C ATOM 562 C GLU A 172 -4.248 -7.797 8.602 1.00 0.00 C ATOM 563 O GLU A 172 -3.486 -8.639 9.078 1.00 0.00 O ATOM 564 CB GLU A 172 -4.351 -5.670 9.915 1.00 0.00 C ATOM 565 CG GLU A 172 -5.625 -6.281 10.472 1.00 0.00 C ATOM 566 CD GLU A 172 -5.977 -5.746 11.846 1.00 0.00 C ATOM 567 OE1 GLU A 172 -5.482 -4.656 12.204 1.00 0.00 O ATOM 568 OE2 GLU A 172 -6.747 -6.416 12.565 1.00 0.00 O ATOM 0 H GLU A 172 -4.891 -4.728 7.684 1.00 0.00 H new ATOM 0 HA GLU A 172 -2.797 -6.228 8.539 1.00 0.00 H new ATOM 0 HB2 GLU A 172 -3.560 -5.758 10.660 1.00 0.00 H new ATOM 0 HB3 GLU A 172 -4.512 -4.605 9.746 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -6.449 -6.081 9.787 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -5.511 -7.364 10.526 1.00 0.00 H new ATOM 575 N ALA A 173 -5.420 -8.108 8.057 1.00 0.00 N ATOM 576 CA ALA A 173 -5.887 -9.487 7.985 1.00 0.00 C ATOM 577 C ALA A 173 -4.762 -10.427 7.567 1.00 0.00 C ATOM 578 O ALA A 173 -4.762 -11.606 7.921 1.00 0.00 O ATOM 579 CB ALA A 173 -7.057 -9.597 7.019 1.00 0.00 C ATOM 0 H ALA A 173 -6.063 -7.424 7.659 1.00 0.00 H new ATOM 0 HA ALA A 173 -6.221 -9.784 8.979 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -7.396 -10.632 6.975 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -7.874 -8.962 7.363 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -6.741 -9.276 6.027 1.00 0.00 H new ATOM 585 N PHE A 174 -3.805 -9.898 6.812 1.00 0.00 N ATOM 586 CA PHE A 174 -2.675 -10.691 6.344 1.00 0.00 C ATOM 587 C PHE A 174 -1.403 -10.327 7.104 1.00 0.00 C ATOM 588 O PHE A 174 -0.887 -11.120 7.890 1.00 0.00 O ATOM 589 CB PHE A 174 -2.463 -10.482 4.843 1.00 0.00 C ATOM 590 CG PHE A 174 -3.637 -10.906 4.008 1.00 0.00 C ATOM 591 CD1 PHE A 174 -3.779 -12.225 3.607 1.00 0.00 C ATOM 592 CD2 PHE A 174 -4.599 -9.986 3.623 1.00 0.00 C ATOM 593 CE1 PHE A 174 -4.857 -12.618 2.838 1.00 0.00 C ATOM 594 CE2 PHE A 174 -5.680 -10.373 2.854 1.00 0.00 C ATOM 595 CZ PHE A 174 -5.810 -11.691 2.461 1.00 0.00 C ATOM 0 H PHE A 174 -3.790 -8.923 6.511 1.00 0.00 H new ATOM 0 HA PHE A 174 -2.900 -11.741 6.529 1.00 0.00 H new ATOM 0 HB2 PHE A 174 -2.256 -9.428 4.656 1.00 0.00 H new ATOM 0 HB3 PHE A 174 -1.582 -11.041 4.527 1.00 0.00 H new ATOM 0 HD1 PHE A 174 -3.038 -12.954 3.899 1.00 0.00 H new ATOM 0 HD2 PHE A 174 -4.503 -8.954 3.928 1.00 0.00 H new ATOM 0 HE1 PHE A 174 -4.955 -13.649 2.532 1.00 0.00 H new ATOM 0 HE2 PHE A 174 -6.423 -9.646 2.561 1.00 0.00 H new ATOM 0 HZ PHE A 174 -6.654 -11.996 1.861 1.00 0.00 H new ATOM 605 N GLY A 175 -0.902 -9.119 6.863 1.00 0.00 N ATOM 606 CA GLY A 175 0.305 -8.669 7.531 1.00 0.00 C ATOM 607 C GLY A 175 0.047 -7.519 8.483 1.00 0.00 C ATOM 608 O GLY A 175 -0.666 -6.574 8.148 1.00 0.00 O ATOM 0 H GLY A 175 -1.311 -8.444 6.217 1.00 0.00 H new ATOM 0 HA2 GLY A 175 0.743 -9.501 8.082 1.00 0.00 H new ATOM 0 HA3 GLY A 175 1.036 -8.361 6.784 1.00 0.00 H new ATOM 612 N ASN A 176 0.627 -7.598 9.677 1.00 0.00 N ATOM 613 CA ASN A 176 0.454 -6.556 10.682 1.00 0.00 C ATOM 614 C ASN A 176 0.625 -5.171 10.065 1.00 0.00 C ATOM 615 O ASN A 176 1.323 -5.009 9.064 1.00 0.00 O ATOM 616 CB ASN A 176 1.457 -6.747 11.822 1.00 0.00 C ATOM 617 CG ASN A 176 1.323 -8.102 12.489 1.00 0.00 C ATOM 618 OD1 ASN A 176 0.222 -8.528 12.840 1.00 0.00 O ATOM 619 ND2 ASN A 176 2.447 -8.787 12.667 1.00 0.00 N ATOM 0 H ASN A 176 1.221 -8.373 9.972 1.00 0.00 H new ATOM 0 HA ASN A 176 -0.558 -6.634 11.080 1.00 0.00 H new ATOM 0 HB2 ASN A 176 2.469 -6.635 11.434 1.00 0.00 H new ATOM 0 HB3 ASN A 176 1.312 -5.963 12.565 1.00 0.00 H new ATOM 0 HD21 ASN A 176 2.420 -9.705 13.110 1.00 0.00 H new ATOM 0 HD22 ASN A 176 3.337 -8.395 12.360 1.00 0.00 H new ATOM 626 N ILE A 177 -0.015 -4.177 10.670 1.00 0.00 N ATOM 627 CA ILE A 177 0.068 -2.806 10.182 1.00 0.00 C ATOM 628 C ILE A 177 0.695 -1.888 11.225 1.00 0.00 C ATOM 629 O ILE A 177 0.611 -2.148 12.425 1.00 0.00 O ATOM 630 CB ILE A 177 -1.320 -2.259 9.801 1.00 0.00 C ATOM 631 CG1 ILE A 177 -1.843 -2.963 8.546 1.00 0.00 C ATOM 632 CG2 ILE A 177 -1.255 -0.755 9.583 1.00 0.00 C ATOM 633 CD1 ILE A 177 -3.219 -2.499 8.122 1.00 0.00 C ATOM 0 H ILE A 177 -0.597 -4.295 11.499 1.00 0.00 H new ATOM 0 HA ILE A 177 0.698 -2.825 9.293 1.00 0.00 H new ATOM 0 HB ILE A 177 -2.010 -2.458 10.621 1.00 0.00 H new ATOM 0 HG12 ILE A 177 -1.144 -2.795 7.727 1.00 0.00 H new ATOM 0 HG13 ILE A 177 -1.870 -4.038 8.727 1.00 0.00 H new ATOM 0 HG21 ILE A 177 -2.244 -0.383 9.314 1.00 0.00 H new ATOM 0 HG22 ILE A 177 -0.921 -0.269 10.500 1.00 0.00 H new ATOM 0 HG23 ILE A 177 -0.553 -0.534 8.779 1.00 0.00 H new ATOM 0 HD11 ILE A 177 -3.526 -3.040 7.227 1.00 0.00 H new ATOM 0 HD12 ILE A 177 -3.931 -2.692 8.924 1.00 0.00 H new ATOM 0 HD13 ILE A 177 -3.193 -1.430 7.909 1.00 0.00 H new ATOM 645 N GLU A 178 1.322 -0.812 10.759 1.00 0.00 N ATOM 646 CA GLU A 178 1.962 0.146 11.653 1.00 0.00 C ATOM 647 C GLU A 178 1.303 1.518 11.542 1.00 0.00 C ATOM 648 O GLU A 178 1.147 2.225 12.537 1.00 0.00 O ATOM 649 CB GLU A 178 3.454 0.257 11.333 1.00 0.00 C ATOM 650 CG GLU A 178 4.291 -0.855 11.942 1.00 0.00 C ATOM 651 CD GLU A 178 5.774 -0.680 11.677 1.00 0.00 C ATOM 652 OE1 GLU A 178 6.129 -0.213 10.574 1.00 0.00 O ATOM 653 OE2 GLU A 178 6.580 -1.009 12.573 1.00 0.00 O ATOM 0 H GLU A 178 1.400 -0.582 9.768 1.00 0.00 H new ATOM 0 HA GLU A 178 1.843 -0.213 12.675 1.00 0.00 H new ATOM 0 HB2 GLU A 178 3.587 0.249 10.251 1.00 0.00 H new ATOM 0 HB3 GLU A 178 3.824 1.217 11.693 1.00 0.00 H new ATOM 0 HG2 GLU A 178 4.119 -0.887 13.018 1.00 0.00 H new ATOM 0 HG3 GLU A 178 3.964 -1.813 11.539 1.00 0.00 H new ATOM 660 N GLU A 179 0.919 1.887 10.324 1.00 0.00 N ATOM 661 CA GLU A 179 0.278 3.174 10.083 1.00 0.00 C ATOM 662 C GLU A 179 -0.779 3.060 8.989 1.00 0.00 C ATOM 663 O GLU A 179 -0.583 2.363 7.992 1.00 0.00 O ATOM 664 CB GLU A 179 1.321 4.223 9.692 1.00 0.00 C ATOM 665 CG GLU A 179 0.730 5.593 9.407 1.00 0.00 C ATOM 666 CD GLU A 179 1.774 6.693 9.420 1.00 0.00 C ATOM 667 OE1 GLU A 179 2.112 7.176 10.521 1.00 0.00 O ATOM 668 OE2 GLU A 179 2.251 7.071 8.330 1.00 0.00 O ATOM 0 H GLU A 179 1.041 1.313 9.490 1.00 0.00 H new ATOM 0 HA GLU A 179 -0.212 3.485 11.006 1.00 0.00 H new ATOM 0 HB2 GLU A 179 2.053 4.312 10.495 1.00 0.00 H new ATOM 0 HB3 GLU A 179 1.858 3.877 8.809 1.00 0.00 H new ATOM 0 HG2 GLU A 179 0.237 5.577 8.435 1.00 0.00 H new ATOM 0 HG3 GLU A 179 -0.036 5.816 10.150 1.00 0.00 H new ATOM 675 N CYS A 180 -1.900 3.747 9.183 1.00 0.00 N ATOM 676 CA CYS A 180 -2.989 3.721 8.214 1.00 0.00 C ATOM 677 C CYS A 180 -3.608 5.107 8.055 1.00 0.00 C ATOM 678 O CYS A 180 -3.879 5.795 9.039 1.00 0.00 O ATOM 679 CB CYS A 180 -4.060 2.718 8.645 1.00 0.00 C ATOM 680 SG CYS A 180 -5.216 2.262 7.331 1.00 0.00 S ATOM 0 H CYS A 180 -2.078 4.328 10.002 1.00 0.00 H new ATOM 0 HA CYS A 180 -2.579 3.413 7.252 1.00 0.00 H new ATOM 0 HB2 CYS A 180 -3.571 1.816 9.013 1.00 0.00 H new ATOM 0 HB3 CYS A 180 -4.622 3.139 9.479 1.00 0.00 H new ATOM 0 HG CYS A 180 -6.082 1.409 7.792 1.00 0.00 H new ATOM 686 N THR A 181 -3.827 5.512 6.807 1.00 0.00 N ATOM 687 CA THR A 181 -4.410 6.816 6.519 1.00 0.00 C ATOM 688 C THR A 181 -5.149 6.805 5.186 1.00 0.00 C ATOM 689 O THR A 181 -4.722 6.150 4.234 1.00 0.00 O ATOM 690 CB THR A 181 -3.335 7.918 6.488 1.00 0.00 C ATOM 691 OG1 THR A 181 -2.653 7.973 7.746 1.00 0.00 O ATOM 692 CG2 THR A 181 -3.956 9.272 6.183 1.00 0.00 C ATOM 0 H THR A 181 -3.609 4.955 5.981 1.00 0.00 H new ATOM 0 HA THR A 181 -5.116 7.031 7.321 1.00 0.00 H new ATOM 0 HB THR A 181 -2.623 7.677 5.699 1.00 0.00 H new ATOM 0 HG1 THR A 181 -1.970 8.675 7.717 1.00 0.00 H new ATOM 0 HG21 THR A 181 -3.177 10.034 6.166 1.00 0.00 H new ATOM 0 HG22 THR A 181 -4.449 9.236 5.211 1.00 0.00 H new ATOM 0 HG23 THR A 181 -4.688 9.518 6.952 1.00 0.00 H new ATOM 700 N ILE A 182 -6.258 7.533 5.123 1.00 0.00 N ATOM 701 CA ILE A 182 -7.055 7.608 3.905 1.00 0.00 C ATOM 702 C ILE A 182 -6.846 8.940 3.192 1.00 0.00 C ATOM 703 O ILE A 182 -6.879 10.002 3.815 1.00 0.00 O ATOM 704 CB ILE A 182 -8.556 7.428 4.201 1.00 0.00 C ATOM 705 CG1 ILE A 182 -8.778 6.202 5.090 1.00 0.00 C ATOM 706 CG2 ILE A 182 -9.340 7.297 2.904 1.00 0.00 C ATOM 707 CD1 ILE A 182 -8.625 4.888 4.357 1.00 0.00 C ATOM 0 H ILE A 182 -6.626 8.080 5.902 1.00 0.00 H new ATOM 0 HA ILE A 182 -6.720 6.796 3.260 1.00 0.00 H new ATOM 0 HB ILE A 182 -8.915 8.310 4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -8.070 6.231 5.918 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -9.777 6.253 5.523 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -10.399 7.170 3.130 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -9.202 8.196 2.303 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -8.982 6.431 2.348 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -8.796 4.063 5.049 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -9.351 4.837 3.546 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -7.617 4.815 3.948 1.00 0.00 H new ATOM 719 N LEU A 183 -6.632 8.876 1.882 1.00 0.00 N ATOM 720 CA LEU A 183 -6.420 10.078 1.083 1.00 0.00 C ATOM 721 C LEU A 183 -7.749 10.726 0.710 1.00 0.00 C ATOM 722 O LEU A 183 -8.562 10.134 0.000 1.00 0.00 O ATOM 723 CB LEU A 183 -5.632 9.738 -0.184 1.00 0.00 C ATOM 724 CG LEU A 183 -4.119 9.592 -0.014 1.00 0.00 C ATOM 725 CD1 LEU A 183 -3.523 8.826 -1.185 1.00 0.00 C ATOM 726 CD2 LEU A 183 -3.463 10.959 0.121 1.00 0.00 C ATOM 0 H LEU A 183 -6.601 8.006 1.351 1.00 0.00 H new ATOM 0 HA LEU A 183 -5.848 10.787 1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -6.023 8.806 -0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -5.821 10.515 -0.925 1.00 0.00 H new ATOM 0 HG LEU A 183 -3.927 9.028 0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -2.446 8.732 -1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -3.971 7.834 -1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -3.725 9.363 -2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -2.387 10.836 0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -3.663 11.549 -0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -3.869 11.473 0.992 1.00 0.00 H new ATOM 816 N SER A 190 -13.316 11.098 -0.738 1.00 0.00 N ATOM 817 CA SER A 190 -12.087 10.321 -0.842 1.00 0.00 C ATOM 818 C SER A 190 -11.654 10.182 -2.299 1.00 0.00 C ATOM 819 O SER A 190 -12.473 9.919 -3.180 1.00 0.00 O ATOM 820 CB SER A 190 -12.280 8.936 -0.222 1.00 0.00 C ATOM 821 OG SER A 190 -11.042 8.257 -0.095 1.00 0.00 O ATOM 0 HA SER A 190 -11.305 10.850 -0.297 1.00 0.00 H new ATOM 0 HB2 SER A 190 -12.746 9.035 0.758 1.00 0.00 H new ATOM 0 HB3 SER A 190 -12.959 8.349 -0.840 1.00 0.00 H new ATOM 0 HG SER A 190 -10.311 8.910 -0.074 1.00 0.00 H new ATOM 827 N LYS A 191 -10.361 10.362 -2.544 1.00 0.00 N ATOM 828 CA LYS A 191 -9.816 10.256 -3.893 1.00 0.00 C ATOM 829 C LYS A 191 -9.515 8.803 -4.246 1.00 0.00 C ATOM 830 O LYS A 191 -8.519 8.507 -4.904 1.00 0.00 O ATOM 831 CB LYS A 191 -8.543 11.096 -4.017 1.00 0.00 C ATOM 832 CG LYS A 191 -8.787 12.591 -3.904 1.00 0.00 C ATOM 833 CD LYS A 191 -7.571 13.390 -4.344 1.00 0.00 C ATOM 834 CE LYS A 191 -6.454 13.316 -3.315 1.00 0.00 C ATOM 835 NZ LYS A 191 -6.731 14.177 -2.132 1.00 0.00 N ATOM 0 H LYS A 191 -9.670 10.582 -1.826 1.00 0.00 H new ATOM 0 HA LYS A 191 -10.563 10.633 -4.591 1.00 0.00 H new ATOM 0 HB2 LYS A 191 -7.840 10.792 -3.242 1.00 0.00 H new ATOM 0 HB3 LYS A 191 -8.071 10.885 -4.976 1.00 0.00 H new ATOM 0 HG2 LYS A 191 -9.646 12.868 -4.516 1.00 0.00 H new ATOM 0 HG3 LYS A 191 -9.035 12.843 -2.873 1.00 0.00 H new ATOM 0 HD2 LYS A 191 -7.212 13.011 -5.301 1.00 0.00 H new ATOM 0 HD3 LYS A 191 -7.855 14.431 -4.500 1.00 0.00 H new ATOM 0 HE2 LYS A 191 -6.327 12.283 -2.991 1.00 0.00 H new ATOM 0 HE3 LYS A 191 -5.515 13.623 -3.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 191 -5.910 14.165 -1.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 191 -6.911 15.152 -2.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 191 -7.566 13.816 -1.628 1.00 0.00 H new ATOM 849 N GLY A 192 -10.385 7.899 -3.805 1.00 0.00 N ATOM 850 CA GLY A 192 -10.195 6.488 -4.086 1.00 0.00 C ATOM 851 C GLY A 192 -8.756 6.049 -3.903 1.00 0.00 C ATOM 852 O GLY A 192 -8.217 5.308 -4.726 1.00 0.00 O ATOM 0 H GLY A 192 -11.218 8.119 -3.258 1.00 0.00 H new ATOM 0 HA2 GLY A 192 -10.837 5.900 -3.430 1.00 0.00 H new ATOM 0 HA3 GLY A 192 -10.508 6.279 -5.109 1.00 0.00 H new ATOM 856 N CYS A 193 -8.132 6.508 -2.824 1.00 0.00 N ATOM 857 CA CYS A 193 -6.745 6.160 -2.537 1.00 0.00 C ATOM 858 C CYS A 193 -6.459 6.254 -1.042 1.00 0.00 C ATOM 859 O CYS A 193 -7.181 6.921 -0.303 1.00 0.00 O ATOM 860 CB CYS A 193 -5.797 7.079 -3.309 1.00 0.00 C ATOM 861 SG CYS A 193 -5.983 6.992 -5.105 1.00 0.00 S ATOM 0 H CYS A 193 -8.564 7.122 -2.134 1.00 0.00 H new ATOM 0 HA CYS A 193 -6.581 5.131 -2.855 1.00 0.00 H new ATOM 0 HB2 CYS A 193 -5.963 8.107 -2.987 1.00 0.00 H new ATOM 0 HB3 CYS A 193 -4.770 6.825 -3.048 1.00 0.00 H new ATOM 0 HG CYS A 193 -6.872 6.093 -5.406 1.00 0.00 H new ATOM 867 N ALA A 194 -5.401 5.579 -0.604 1.00 0.00 N ATOM 868 CA ALA A 194 -5.019 5.587 0.803 1.00 0.00 C ATOM 869 C ALA A 194 -3.573 5.137 0.981 1.00 0.00 C ATOM 870 O ALA A 194 -2.947 4.638 0.046 1.00 0.00 O ATOM 871 CB ALA A 194 -5.954 4.696 1.608 1.00 0.00 C ATOM 0 H ALA A 194 -4.793 5.020 -1.203 1.00 0.00 H new ATOM 0 HA ALA A 194 -5.102 6.609 1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 194 -5.658 4.711 2.657 1.00 0.00 H new ATOM 0 HB2 ALA A 194 -6.976 5.063 1.515 1.00 0.00 H new ATOM 0 HB3 ALA A 194 -5.899 3.675 1.230 1.00 0.00 H new ATOM 877 N PHE A 195 -3.047 5.317 2.188 1.00 0.00 N ATOM 878 CA PHE A 195 -1.673 4.931 2.489 1.00 0.00 C ATOM 879 C PHE A 195 -1.619 4.020 3.712 1.00 0.00 C ATOM 880 O PHE A 195 -2.078 4.386 4.794 1.00 0.00 O ATOM 881 CB PHE A 195 -0.813 6.174 2.727 1.00 0.00 C ATOM 882 CG PHE A 195 -0.436 6.893 1.464 1.00 0.00 C ATOM 883 CD1 PHE A 195 0.334 6.267 0.497 1.00 0.00 C ATOM 884 CD2 PHE A 195 -0.854 8.196 1.242 1.00 0.00 C ATOM 885 CE1 PHE A 195 0.682 6.928 -0.666 1.00 0.00 C ATOM 886 CE2 PHE A 195 -0.509 8.861 0.081 1.00 0.00 C ATOM 887 CZ PHE A 195 0.259 8.226 -0.875 1.00 0.00 C ATOM 0 H PHE A 195 -3.551 5.728 2.974 1.00 0.00 H new ATOM 0 HA PHE A 195 -1.280 4.383 1.633 1.00 0.00 H new ATOM 0 HB2 PHE A 195 -1.353 6.860 3.379 1.00 0.00 H new ATOM 0 HB3 PHE A 195 0.095 5.882 3.254 1.00 0.00 H new ATOM 0 HD1 PHE A 195 0.666 5.251 0.654 1.00 0.00 H new ATOM 0 HD2 PHE A 195 -1.456 8.697 1.985 1.00 0.00 H new ATOM 0 HE1 PHE A 195 1.284 6.430 -1.411 1.00 0.00 H new ATOM 0 HE2 PHE A 195 -0.840 9.877 -0.079 1.00 0.00 H new ATOM 0 HZ PHE A 195 0.528 8.743 -1.784 1.00 0.00 H new ATOM 897 N VAL A 196 -1.056 2.829 3.531 1.00 0.00 N ATOM 898 CA VAL A 196 -0.941 1.865 4.618 1.00 0.00 C ATOM 899 C VAL A 196 0.509 1.446 4.830 1.00 0.00 C ATOM 900 O VAL A 196 1.297 1.393 3.885 1.00 0.00 O ATOM 901 CB VAL A 196 -1.792 0.609 4.346 1.00 0.00 C ATOM 902 CG1 VAL A 196 -1.914 -0.235 5.605 1.00 0.00 C ATOM 903 CG2 VAL A 196 -3.165 1.000 3.821 1.00 0.00 C ATOM 0 H VAL A 196 -0.673 2.509 2.642 1.00 0.00 H new ATOM 0 HA VAL A 196 -1.309 2.357 5.518 1.00 0.00 H new ATOM 0 HB VAL A 196 -1.294 0.011 3.583 1.00 0.00 H new ATOM 0 HG11 VAL A 196 -2.518 -1.117 5.394 1.00 0.00 H new ATOM 0 HG12 VAL A 196 -0.922 -0.544 5.933 1.00 0.00 H new ATOM 0 HG13 VAL A 196 -2.390 0.351 6.391 1.00 0.00 H new ATOM 0 HG21 VAL A 196 -3.753 0.101 3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 196 -3.674 1.619 4.559 1.00 0.00 H new ATOM 0 HG23 VAL A 196 -3.054 1.560 2.893 1.00 0.00 H new ATOM 913 N LYS A 197 0.857 1.149 6.078 1.00 0.00 N ATOM 914 CA LYS A 197 2.213 0.733 6.416 1.00 0.00 C ATOM 915 C LYS A 197 2.221 -0.681 6.990 1.00 0.00 C ATOM 916 O LYS A 197 1.215 -1.150 7.523 1.00 0.00 O ATOM 917 CB LYS A 197 2.831 1.706 7.422 1.00 0.00 C ATOM 918 CG LYS A 197 4.341 1.826 7.303 1.00 0.00 C ATOM 919 CD LYS A 197 4.835 3.167 7.820 1.00 0.00 C ATOM 920 CE LYS A 197 4.849 4.218 6.720 1.00 0.00 C ATOM 921 NZ LYS A 197 3.541 4.921 6.610 1.00 0.00 N ATOM 0 H LYS A 197 0.218 1.189 6.872 1.00 0.00 H new ATOM 0 HA LYS A 197 2.807 0.739 5.502 1.00 0.00 H new ATOM 0 HB2 LYS A 197 2.385 2.691 7.284 1.00 0.00 H new ATOM 0 HB3 LYS A 197 2.579 1.381 8.431 1.00 0.00 H new ATOM 0 HG2 LYS A 197 4.816 1.021 7.864 1.00 0.00 H new ATOM 0 HG3 LYS A 197 4.636 1.706 6.261 1.00 0.00 H new ATOM 0 HD2 LYS A 197 4.195 3.502 8.636 1.00 0.00 H new ATOM 0 HD3 LYS A 197 5.839 3.053 8.229 1.00 0.00 H new ATOM 0 HE2 LYS A 197 5.636 4.944 6.921 1.00 0.00 H new ATOM 0 HE3 LYS A 197 5.088 3.744 5.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 3.674 5.826 6.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 2.873 4.329 6.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 3.162 5.100 7.562 1.00 0.00 H new ATOM 935 N TYR A 198 3.361 -1.353 6.877 1.00 0.00 N ATOM 936 CA TYR A 198 3.499 -2.713 7.384 1.00 0.00 C ATOM 937 C TYR A 198 4.768 -2.858 8.219 1.00 0.00 C ATOM 938 O TYR A 198 5.643 -1.993 8.192 1.00 0.00 O ATOM 939 CB TYR A 198 3.521 -3.712 6.225 1.00 0.00 C ATOM 940 CG TYR A 198 2.145 -4.121 5.752 1.00 0.00 C ATOM 941 CD1 TYR A 198 1.361 -3.254 5.001 1.00 0.00 C ATOM 942 CD2 TYR A 198 1.629 -5.375 6.054 1.00 0.00 C ATOM 943 CE1 TYR A 198 0.102 -3.623 4.567 1.00 0.00 C ATOM 944 CE2 TYR A 198 0.372 -5.753 5.623 1.00 0.00 C ATOM 945 CZ TYR A 198 -0.387 -4.874 4.880 1.00 0.00 C ATOM 946 OH TYR A 198 -1.640 -5.246 4.449 1.00 0.00 O ATOM 0 H TYR A 198 4.203 -0.978 6.439 1.00 0.00 H new ATOM 0 HA TYR A 198 2.641 -2.924 8.022 1.00 0.00 H new ATOM 0 HB2 TYR A 198 4.068 -3.275 5.390 1.00 0.00 H new ATOM 0 HB3 TYR A 198 4.069 -4.602 6.534 1.00 0.00 H new ATOM 0 HD1 TYR A 198 1.742 -2.275 4.752 1.00 0.00 H new ATOM 0 HD2 TYR A 198 2.221 -6.066 6.636 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -0.495 -2.936 3.986 1.00 0.00 H new ATOM 0 HE2 TYR A 198 -0.014 -6.732 5.867 1.00 0.00 H new ATOM 0 HH TYR A 198 -1.845 -4.790 3.606 1.00 0.00 H new ATOM 956 N SER A 199 4.859 -3.958 8.959 1.00 0.00 N ATOM 957 CA SER A 199 6.019 -4.216 9.805 1.00 0.00 C ATOM 958 C SER A 199 7.276 -4.403 8.961 1.00 0.00 C ATOM 959 O SER A 199 8.299 -3.762 9.201 1.00 0.00 O ATOM 960 CB SER A 199 5.780 -5.456 10.669 1.00 0.00 C ATOM 961 OG SER A 199 6.873 -5.688 11.541 1.00 0.00 O ATOM 0 H SER A 199 4.144 -4.685 8.990 1.00 0.00 H new ATOM 0 HA SER A 199 6.165 -3.353 10.454 1.00 0.00 H new ATOM 0 HB2 SER A 199 4.867 -5.327 11.251 1.00 0.00 H new ATOM 0 HB3 SER A 199 5.630 -6.326 10.029 1.00 0.00 H new ATOM 0 HG SER A 199 6.695 -6.485 12.083 1.00 0.00 H new ATOM 967 N SER A 200 7.190 -5.287 7.972 1.00 0.00 N ATOM 968 CA SER A 200 8.321 -5.563 7.094 1.00 0.00 C ATOM 969 C SER A 200 7.858 -5.741 5.651 1.00 0.00 C ATOM 970 O SER A 200 6.674 -5.598 5.345 1.00 0.00 O ATOM 971 CB SER A 200 9.063 -6.817 7.562 1.00 0.00 C ATOM 972 OG SER A 200 9.942 -6.520 8.633 1.00 0.00 O ATOM 0 H SER A 200 6.349 -5.824 7.759 1.00 0.00 H new ATOM 0 HA SER A 200 8.999 -4.711 7.137 1.00 0.00 H new ATOM 0 HB2 SER A 200 8.343 -7.573 7.877 1.00 0.00 H new ATOM 0 HB3 SER A 200 9.627 -7.241 6.731 1.00 0.00 H new ATOM 0 HG SER A 200 9.663 -5.685 9.063 1.00 0.00 H new ATOM 978 N HIS A 201 8.801 -6.055 4.768 1.00 0.00 N ATOM 979 CA HIS A 201 8.491 -6.253 3.357 1.00 0.00 C ATOM 980 C HIS A 201 7.649 -7.510 3.157 1.00 0.00 C ATOM 981 O HIS A 201 6.539 -7.448 2.629 1.00 0.00 O ATOM 982 CB HIS A 201 9.779 -6.352 2.539 1.00 0.00 C ATOM 983 CG HIS A 201 9.617 -7.109 1.257 1.00 0.00 C ATOM 984 ND1 HIS A 201 8.869 -6.642 0.197 1.00 0.00 N ATOM 985 CD2 HIS A 201 10.114 -8.306 0.866 1.00 0.00 C ATOM 986 CE1 HIS A 201 8.911 -7.520 -0.790 1.00 0.00 C ATOM 987 NE2 HIS A 201 9.661 -8.539 -0.409 1.00 0.00 N ATOM 0 H HIS A 201 9.786 -6.178 5.005 1.00 0.00 H new ATOM 0 HA HIS A 201 7.916 -5.393 3.012 1.00 0.00 H new ATOM 0 HB2 HIS A 201 10.136 -5.347 2.315 1.00 0.00 H new ATOM 0 HB3 HIS A 201 10.547 -6.836 3.143 1.00 0.00 H new ATOM 0 HD2 HIS A 201 10.749 -8.957 1.449 1.00 0.00 H new ATOM 0 HE1 HIS A 201 8.417 -7.421 -1.745 1.00 0.00 H new ATOM 0 HE2 HIS A 201 9.870 -9.364 -0.971 1.00 0.00 H new ATOM 995 N ALA A 202 8.186 -8.649 3.582 1.00 0.00 N ATOM 996 CA ALA A 202 7.484 -9.920 3.451 1.00 0.00 C ATOM 997 C ALA A 202 5.980 -9.738 3.631 1.00 0.00 C ATOM 998 O ALA A 202 5.208 -9.915 2.690 1.00 0.00 O ATOM 999 CB ALA A 202 8.020 -10.926 4.459 1.00 0.00 C ATOM 0 H ALA A 202 9.105 -8.718 4.020 1.00 0.00 H new ATOM 0 HA ALA A 202 7.660 -10.301 2.445 1.00 0.00 H new ATOM 0 HB1 ALA A 202 7.487 -11.870 4.350 1.00 0.00 H new ATOM 0 HB2 ALA A 202 9.083 -11.087 4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 202 7.875 -10.542 5.469 1.00 0.00 H new ATOM 1005 N GLU A 203 5.573 -9.384 4.846 1.00 0.00 N ATOM 1006 CA GLU A 203 4.161 -9.180 5.148 1.00 0.00 C ATOM 1007 C GLU A 203 3.497 -8.310 4.084 1.00 0.00 C ATOM 1008 O GLU A 203 2.421 -8.636 3.585 1.00 0.00 O ATOM 1009 CB GLU A 203 4.000 -8.532 6.525 1.00 0.00 C ATOM 1010 CG GLU A 203 4.162 -9.507 7.679 1.00 0.00 C ATOM 1011 CD GLU A 203 5.605 -9.657 8.119 1.00 0.00 C ATOM 1012 OE1 GLU A 203 6.046 -8.875 8.987 1.00 0.00 O ATOM 1013 OE2 GLU A 203 6.294 -10.557 7.594 1.00 0.00 O ATOM 0 H GLU A 203 6.200 -9.233 5.636 1.00 0.00 H new ATOM 0 HA GLU A 203 3.672 -10.154 5.153 1.00 0.00 H new ATOM 0 HB2 GLU A 203 4.734 -7.733 6.629 1.00 0.00 H new ATOM 0 HB3 GLU A 203 3.015 -8.069 6.587 1.00 0.00 H new ATOM 0 HG2 GLU A 203 3.562 -9.167 8.523 1.00 0.00 H new ATOM 0 HG3 GLU A 203 3.773 -10.481 7.383 1.00 0.00 H new ATOM 1020 N ALA A 204 4.148 -7.203 3.743 1.00 0.00 N ATOM 1021 CA ALA A 204 3.622 -6.287 2.738 1.00 0.00 C ATOM 1022 C ALA A 204 3.278 -7.025 1.449 1.00 0.00 C ATOM 1023 O ALA A 204 2.117 -7.077 1.045 1.00 0.00 O ATOM 1024 CB ALA A 204 4.624 -5.176 2.461 1.00 0.00 C ATOM 0 H ALA A 204 5.040 -6.919 4.148 1.00 0.00 H new ATOM 0 HA ALA A 204 2.705 -5.846 3.129 1.00 0.00 H new ATOM 0 HB1 ALA A 204 4.218 -4.499 1.709 1.00 0.00 H new ATOM 0 HB2 ALA A 204 4.817 -4.623 3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 204 5.555 -5.609 2.095 1.00 0.00 H new ATOM 1030 N GLN A 205 4.294 -7.594 0.809 1.00 0.00 N ATOM 1031 CA GLN A 205 4.098 -8.328 -0.435 1.00 0.00 C ATOM 1032 C GLN A 205 2.868 -9.226 -0.349 1.00 0.00 C ATOM 1033 O GLN A 205 2.054 -9.270 -1.271 1.00 0.00 O ATOM 1034 CB GLN A 205 5.336 -9.168 -0.758 1.00 0.00 C ATOM 1035 CG GLN A 205 5.235 -9.919 -2.075 1.00 0.00 C ATOM 1036 CD GLN A 205 5.710 -9.095 -3.255 1.00 0.00 C ATOM 1037 OE1 GLN A 205 6.894 -9.100 -3.594 1.00 0.00 O ATOM 1038 NE2 GLN A 205 4.787 -8.381 -3.889 1.00 0.00 N ATOM 0 H GLN A 205 5.261 -7.561 1.131 1.00 0.00 H new ATOM 0 HA GLN A 205 3.941 -7.603 -1.234 1.00 0.00 H new ATOM 0 HB2 GLN A 205 6.209 -8.516 -0.787 1.00 0.00 H new ATOM 0 HB3 GLN A 205 5.499 -9.884 0.047 1.00 0.00 H new ATOM 0 HG2 GLN A 205 5.826 -10.833 -2.014 1.00 0.00 H new ATOM 0 HG3 GLN A 205 4.200 -10.219 -2.239 1.00 0.00 H new ATOM 0 HE21 GLN A 205 3.817 -8.406 -3.574 1.00 0.00 H new ATOM 0 HE22 GLN A 205 5.048 -7.807 -4.691 1.00 0.00 H new ATOM 1047 N ALA A 206 2.740 -9.941 0.764 1.00 0.00 N ATOM 1048 CA ALA A 206 1.609 -10.837 0.970 1.00 0.00 C ATOM 1049 C ALA A 206 0.286 -10.109 0.758 1.00 0.00 C ATOM 1050 O ALA A 206 -0.543 -10.530 -0.048 1.00 0.00 O ATOM 1051 CB ALA A 206 1.663 -11.442 2.365 1.00 0.00 C ATOM 0 H ALA A 206 3.406 -9.917 1.537 1.00 0.00 H new ATOM 0 HA ALA A 206 1.674 -11.639 0.235 1.00 0.00 H new ATOM 0 HB1 ALA A 206 0.812 -12.109 2.505 1.00 0.00 H new ATOM 0 HB2 ALA A 206 2.589 -12.005 2.482 1.00 0.00 H new ATOM 0 HB3 ALA A 206 1.626 -10.646 3.109 1.00 0.00 H new ATOM 1057 N ALA A 207 0.095 -9.014 1.488 1.00 0.00 N ATOM 1058 CA ALA A 207 -1.126 -8.227 1.378 1.00 0.00 C ATOM 1059 C ALA A 207 -1.335 -7.733 -0.049 1.00 0.00 C ATOM 1060 O ALA A 207 -2.468 -7.633 -0.522 1.00 0.00 O ATOM 1061 CB ALA A 207 -1.086 -7.052 2.345 1.00 0.00 C ATOM 0 H ALA A 207 0.771 -8.653 2.161 1.00 0.00 H new ATOM 0 HA ALA A 207 -1.967 -8.870 1.639 1.00 0.00 H new ATOM 0 HB1 ALA A 207 -2.005 -6.473 2.252 1.00 0.00 H new ATOM 0 HB2 ALA A 207 -0.993 -7.424 3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 207 -0.231 -6.417 2.111 1.00 0.00 H new ATOM 1067 N ILE A 208 -0.237 -7.425 -0.730 1.00 0.00 N ATOM 1068 CA ILE A 208 -0.301 -6.941 -2.104 1.00 0.00 C ATOM 1069 C ILE A 208 -0.966 -7.966 -3.016 1.00 0.00 C ATOM 1070 O ILE A 208 -2.102 -7.780 -3.450 1.00 0.00 O ATOM 1071 CB ILE A 208 1.101 -6.617 -2.652 1.00 0.00 C ATOM 1072 CG1 ILE A 208 1.767 -5.532 -1.803 1.00 0.00 C ATOM 1073 CG2 ILE A 208 1.013 -6.179 -4.107 1.00 0.00 C ATOM 1074 CD1 ILE A 208 3.245 -5.370 -2.079 1.00 0.00 C ATOM 0 H ILE A 208 0.708 -7.502 -0.353 1.00 0.00 H new ATOM 0 HA ILE A 208 -0.897 -6.028 -2.090 1.00 0.00 H new ATOM 0 HB ILE A 208 1.712 -7.518 -2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 208 1.266 -4.581 -1.985 1.00 0.00 H new ATOM 0 HG13 ILE A 208 1.627 -5.770 -0.749 1.00 0.00 H new ATOM 0 HG21 ILE A 208 2.012 -5.953 -4.480 1.00 0.00 H new ATOM 0 HG22 ILE A 208 0.576 -6.980 -4.702 1.00 0.00 H new ATOM 0 HG23 ILE A 208 0.388 -5.289 -4.182 1.00 0.00 H new ATOM 0 HD11 ILE A 208 3.650 -4.584 -1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 208 3.759 -6.308 -1.870 1.00 0.00 H new ATOM 0 HD13 ILE A 208 3.392 -5.101 -3.125 1.00 0.00 H new ATOM 1086 N ASN A 209 -0.251 -9.049 -3.302 1.00 0.00 N ATOM 1087 CA ASN A 209 -0.773 -10.105 -4.162 1.00 0.00 C ATOM 1088 C ASN A 209 -2.143 -10.572 -3.680 1.00 0.00 C ATOM 1089 O ASN A 209 -3.049 -10.801 -4.480 1.00 0.00 O ATOM 1090 CB ASN A 209 0.197 -11.287 -4.200 1.00 0.00 C ATOM 1091 CG ASN A 209 1.222 -11.158 -5.311 1.00 0.00 C ATOM 1092 OD1 ASN A 209 1.061 -11.730 -6.389 1.00 0.00 O ATOM 1093 ND2 ASN A 209 2.284 -10.404 -5.051 1.00 0.00 N ATOM 0 H ASN A 209 0.692 -9.219 -2.951 1.00 0.00 H new ATOM 0 HA ASN A 209 -0.880 -9.700 -5.168 1.00 0.00 H new ATOM 0 HB2 ASN A 209 0.711 -11.363 -3.242 1.00 0.00 H new ATOM 0 HB3 ASN A 209 -0.365 -12.211 -4.334 1.00 0.00 H new ATOM 0 HD21 ASN A 209 3.008 -10.280 -5.759 1.00 0.00 H new ATOM 0 HD22 ASN A 209 2.376 -9.948 -4.143 1.00 0.00 H new ATOM 1100 N ALA A 210 -2.286 -10.711 -2.366 1.00 0.00 N ATOM 1101 CA ALA A 210 -3.545 -11.148 -1.776 1.00 0.00 C ATOM 1102 C ALA A 210 -4.690 -10.224 -2.178 1.00 0.00 C ATOM 1103 O ALA A 210 -5.795 -10.681 -2.473 1.00 0.00 O ATOM 1104 CB ALA A 210 -3.424 -11.212 -0.260 1.00 0.00 C ATOM 0 H ALA A 210 -1.545 -10.527 -1.690 1.00 0.00 H new ATOM 0 HA ALA A 210 -3.768 -12.146 -2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 210 -4.372 -11.540 0.167 1.00 0.00 H new ATOM 0 HB2 ALA A 210 -2.640 -11.918 0.013 1.00 0.00 H new ATOM 0 HB3 ALA A 210 -3.174 -10.224 0.127 1.00 0.00 H new ATOM 1110 N LEU A 211 -4.419 -8.924 -2.188 1.00 0.00 N ATOM 1111 CA LEU A 211 -5.427 -7.935 -2.555 1.00 0.00 C ATOM 1112 C LEU A 211 -5.213 -7.443 -3.982 1.00 0.00 C ATOM 1113 O LEU A 211 -5.988 -7.764 -4.884 1.00 0.00 O ATOM 1114 CB LEU A 211 -5.387 -6.754 -1.584 1.00 0.00 C ATOM 1115 CG LEU A 211 -5.548 -7.096 -0.102 1.00 0.00 C ATOM 1116 CD1 LEU A 211 -5.341 -5.859 0.757 1.00 0.00 C ATOM 1117 CD2 LEU A 211 -6.917 -7.706 0.158 1.00 0.00 C ATOM 0 H LEU A 211 -3.510 -8.530 -1.946 1.00 0.00 H new ATOM 0 HA LEU A 211 -6.406 -8.411 -2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -4.438 -6.234 -1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -6.175 -6.054 -1.862 1.00 0.00 H new ATOM 0 HG LEU A 211 -4.788 -7.830 0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -5.459 -6.122 1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -4.338 -5.465 0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -6.077 -5.101 0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -7.014 -7.943 1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -7.692 -6.995 -0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -7.027 -8.618 -0.429 1.00 0.00 H new ATOM 1129 N HIS A 212 -4.156 -6.662 -4.182 1.00 0.00 N ATOM 1130 CA HIS A 212 -3.838 -6.128 -5.501 1.00 0.00 C ATOM 1131 C HIS A 212 -3.731 -7.248 -6.530 1.00 0.00 C ATOM 1132 O HIS A 212 -3.022 -8.232 -6.321 1.00 0.00 O ATOM 1133 CB HIS A 212 -2.530 -5.337 -5.453 1.00 0.00 C ATOM 1134 CG HIS A 212 -1.887 -5.162 -6.794 1.00 0.00 C ATOM 1135 ND1 HIS A 212 -2.407 -4.347 -7.777 1.00 0.00 N ATOM 1136 CD2 HIS A 212 -0.758 -5.700 -7.311 1.00 0.00 C ATOM 1137 CE1 HIS A 212 -1.627 -4.394 -8.843 1.00 0.00 C ATOM 1138 NE2 HIS A 212 -0.619 -5.207 -8.586 1.00 0.00 N ATOM 0 H HIS A 212 -3.505 -6.385 -3.447 1.00 0.00 H new ATOM 0 HA HIS A 212 -4.647 -5.461 -5.799 1.00 0.00 H new ATOM 0 HB2 HIS A 212 -2.724 -4.355 -5.021 1.00 0.00 H new ATOM 0 HB3 HIS A 212 -1.832 -5.845 -4.788 1.00 0.00 H new ATOM 0 HD1 HIS A 212 -3.260 -3.794 -7.694 1.00 0.00 H new ATOM 0 HD2 HIS A 212 -0.091 -6.389 -6.814 1.00 0.00 H new ATOM 0 HE1 HIS A 212 -1.787 -3.858 -9.767 1.00 0.00 H new ATOM 1146 N GLY A 213 -4.443 -7.094 -7.643 1.00 0.00 N ATOM 1147 CA GLY A 213 -4.415 -8.101 -8.688 1.00 0.00 C ATOM 1148 C GLY A 213 -5.319 -9.278 -8.382 1.00 0.00 C ATOM 1149 O GLY A 213 -5.431 -10.207 -9.182 1.00 0.00 O ATOM 0 H GLY A 213 -5.039 -6.290 -7.839 1.00 0.00 H new ATOM 0 HA2 GLY A 213 -4.719 -7.649 -9.632 1.00 0.00 H new ATOM 0 HA3 GLY A 213 -3.393 -8.456 -8.819 1.00 0.00 H new ATOM 1153 N SER A 214 -5.964 -9.241 -7.221 1.00 0.00 N ATOM 1154 CA SER A 214 -6.859 -10.316 -6.809 1.00 0.00 C ATOM 1155 C SER A 214 -8.309 -9.973 -7.138 1.00 0.00 C ATOM 1156 O SER A 214 -8.888 -10.517 -8.078 1.00 0.00 O ATOM 1157 CB SER A 214 -6.714 -10.583 -5.309 1.00 0.00 C ATOM 1158 OG SER A 214 -7.521 -11.675 -4.905 1.00 0.00 O ATOM 0 H SER A 214 -5.884 -8.478 -6.549 1.00 0.00 H new ATOM 0 HA SER A 214 -6.583 -11.215 -7.359 1.00 0.00 H new ATOM 0 HB2 SER A 214 -5.670 -10.791 -5.073 1.00 0.00 H new ATOM 0 HB3 SER A 214 -6.996 -9.692 -4.749 1.00 0.00 H new ATOM 0 HG SER A 214 -7.355 -11.872 -3.959 1.00 0.00 H new ATOM 1164 N GLN A 215 -8.887 -9.067 -6.357 1.00 0.00 N ATOM 1165 CA GLN A 215 -10.270 -8.651 -6.565 1.00 0.00 C ATOM 1166 C GLN A 215 -10.334 -7.356 -7.368 1.00 0.00 C ATOM 1167 O GLN A 215 -9.307 -6.824 -7.792 1.00 0.00 O ATOM 1168 CB GLN A 215 -10.976 -8.467 -5.221 1.00 0.00 C ATOM 1169 CG GLN A 215 -10.338 -7.407 -4.337 1.00 0.00 C ATOM 1170 CD GLN A 215 -10.922 -7.384 -2.939 1.00 0.00 C ATOM 1171 OE1 GLN A 215 -11.794 -8.187 -2.604 1.00 0.00 O ATOM 1172 NE2 GLN A 215 -10.444 -6.460 -2.113 1.00 0.00 N ATOM 0 H GLN A 215 -8.421 -8.607 -5.575 1.00 0.00 H new ATOM 0 HA GLN A 215 -10.777 -9.433 -7.130 1.00 0.00 H new ATOM 0 HB2 GLN A 215 -12.017 -8.199 -5.401 1.00 0.00 H new ATOM 0 HB3 GLN A 215 -10.979 -9.418 -4.689 1.00 0.00 H new ATOM 0 HG2 GLN A 215 -9.265 -7.589 -4.275 1.00 0.00 H new ATOM 0 HG3 GLN A 215 -10.470 -6.428 -4.798 1.00 0.00 H new ATOM 0 HE21 GLN A 215 -9.721 -5.815 -2.433 1.00 0.00 H new ATOM 0 HE22 GLN A 215 -10.799 -6.396 -1.159 1.00 0.00 H new ATOM 1181 N THR A 216 -11.547 -6.853 -7.574 1.00 0.00 N ATOM 1182 CA THR A 216 -11.745 -5.621 -8.328 1.00 0.00 C ATOM 1183 C THR A 216 -12.711 -4.686 -7.609 1.00 0.00 C ATOM 1184 O THR A 216 -13.927 -4.871 -7.666 1.00 0.00 O ATOM 1185 CB THR A 216 -12.284 -5.909 -9.742 1.00 0.00 C ATOM 1186 OG1 THR A 216 -11.403 -6.804 -10.429 1.00 0.00 O ATOM 1187 CG2 THR A 216 -12.428 -4.620 -10.538 1.00 0.00 C ATOM 0 H THR A 216 -12.407 -7.280 -7.229 1.00 0.00 H new ATOM 0 HA THR A 216 -10.770 -5.140 -8.409 1.00 0.00 H new ATOM 0 HB THR A 216 -13.267 -6.370 -9.646 1.00 0.00 H new ATOM 0 HG1 THR A 216 -11.753 -6.983 -11.326 1.00 0.00 H new ATOM 0 HG21 THR A 216 -12.810 -4.848 -11.533 1.00 0.00 H new ATOM 0 HG22 THR A 216 -13.122 -3.952 -10.027 1.00 0.00 H new ATOM 0 HG23 THR A 216 -11.456 -4.135 -10.625 1.00 0.00 H new ATOM 1195 N MET A 217 -12.162 -3.682 -6.932 1.00 0.00 N ATOM 1196 CA MET A 217 -12.977 -2.717 -6.203 1.00 0.00 C ATOM 1197 C MET A 217 -14.237 -2.367 -6.988 1.00 0.00 C ATOM 1198 O MET A 217 -14.199 -2.124 -8.195 1.00 0.00 O ATOM 1199 CB MET A 217 -12.170 -1.449 -5.918 1.00 0.00 C ATOM 1200 CG MET A 217 -11.091 -1.639 -4.866 1.00 0.00 C ATOM 1201 SD MET A 217 -11.769 -1.932 -3.221 1.00 0.00 S ATOM 1202 CE MET A 217 -11.220 -3.611 -2.922 1.00 0.00 C ATOM 0 H MET A 217 -11.157 -3.516 -6.873 1.00 0.00 H new ATOM 0 HA MET A 217 -13.274 -3.170 -5.257 1.00 0.00 H new ATOM 0 HB2 MET A 217 -11.707 -1.107 -6.844 1.00 0.00 H new ATOM 0 HB3 MET A 217 -12.849 -0.662 -5.592 1.00 0.00 H new ATOM 0 HG2 MET A 217 -10.457 -2.480 -5.149 1.00 0.00 H new ATOM 0 HG3 MET A 217 -10.454 -0.755 -4.840 1.00 0.00 H new ATOM 0 HE1 MET A 217 -11.679 -3.986 -2.007 1.00 0.00 H new ATOM 0 HE2 MET A 217 -11.511 -4.244 -3.760 1.00 0.00 H new ATOM 0 HE3 MET A 217 -10.135 -3.626 -2.816 1.00 0.00 H new ATOM 1212 N PRO A 218 -15.382 -2.339 -6.290 1.00 0.00 N ATOM 1213 CA PRO A 218 -16.675 -2.019 -6.902 1.00 0.00 C ATOM 1214 C PRO A 218 -16.613 -0.763 -7.765 1.00 0.00 C ATOM 1215 O PRO A 218 -16.399 0.339 -7.260 1.00 0.00 O ATOM 1216 CB PRO A 218 -17.592 -1.795 -5.697 1.00 0.00 C ATOM 1217 CG PRO A 218 -16.994 -2.617 -4.608 1.00 0.00 C ATOM 1218 CD PRO A 218 -15.502 -2.617 -4.849 1.00 0.00 C ATOM 0 HA PRO A 218 -17.015 -2.808 -7.573 1.00 0.00 H new ATOM 0 HB2 PRO A 218 -17.633 -0.741 -5.421 1.00 0.00 H new ATOM 0 HB3 PRO A 218 -18.614 -2.107 -5.913 1.00 0.00 H new ATOM 0 HG2 PRO A 218 -17.230 -2.198 -3.630 1.00 0.00 H new ATOM 0 HG3 PRO A 218 -17.391 -3.632 -4.624 1.00 0.00 H new ATOM 0 HD2 PRO A 218 -15.000 -1.857 -4.251 1.00 0.00 H new ATOM 0 HD3 PRO A 218 -15.054 -3.576 -4.587 1.00 0.00 H new ATOM 1226 N GLY A 219 -16.802 -0.937 -9.069 1.00 0.00 N ATOM 1227 CA GLY A 219 -16.764 0.192 -9.981 1.00 0.00 C ATOM 1228 C GLY A 219 -15.669 0.061 -11.020 1.00 0.00 C ATOM 1229 O GLY A 219 -15.919 0.201 -12.217 1.00 0.00 O ATOM 0 H GLY A 219 -16.981 -1.839 -9.511 1.00 0.00 H new ATOM 0 HA2 GLY A 219 -17.728 0.283 -10.483 1.00 0.00 H new ATOM 0 HA3 GLY A 219 -16.613 1.110 -9.412 1.00 0.00 H new ATOM 1233 N ALA A 220 -14.450 -0.207 -10.562 1.00 0.00 N ATOM 1234 CA ALA A 220 -13.312 -0.356 -11.461 1.00 0.00 C ATOM 1235 C ALA A 220 -13.390 -1.670 -12.231 1.00 0.00 C ATOM 1236 O ALA A 220 -14.022 -2.627 -11.783 1.00 0.00 O ATOM 1237 CB ALA A 220 -12.009 -0.276 -10.680 1.00 0.00 C ATOM 0 H ALA A 220 -14.226 -0.325 -9.574 1.00 0.00 H new ATOM 0 HA ALA A 220 -13.341 0.460 -12.183 1.00 0.00 H new ATOM 0 HB1 ALA A 220 -11.168 -0.389 -11.364 1.00 0.00 H new ATOM 0 HB2 ALA A 220 -11.943 0.690 -10.180 1.00 0.00 H new ATOM 0 HB3 ALA A 220 -11.981 -1.072 -9.936 1.00 0.00 H new ATOM 1243 N SER A 221 -12.744 -1.710 -13.392 1.00 0.00 N ATOM 1244 CA SER A 221 -12.744 -2.906 -14.226 1.00 0.00 C ATOM 1245 C SER A 221 -11.470 -3.718 -14.013 1.00 0.00 C ATOM 1246 O SER A 221 -11.427 -4.914 -14.301 1.00 0.00 O ATOM 1247 CB SER A 221 -12.877 -2.524 -15.702 1.00 0.00 C ATOM 1248 OG SER A 221 -12.698 -3.653 -16.539 1.00 0.00 O ATOM 0 H SER A 221 -12.214 -0.928 -13.776 1.00 0.00 H new ATOM 0 HA SER A 221 -13.598 -3.519 -13.938 1.00 0.00 H new ATOM 0 HB2 SER A 221 -13.859 -2.087 -15.881 1.00 0.00 H new ATOM 0 HB3 SER A 221 -12.139 -1.762 -15.952 1.00 0.00 H new ATOM 0 HG SER A 221 -12.789 -3.383 -17.477 1.00 0.00 H new ATOM 1254 N SER A 222 -10.433 -3.058 -13.506 1.00 0.00 N ATOM 1255 CA SER A 222 -9.156 -3.716 -13.256 1.00 0.00 C ATOM 1256 C SER A 222 -9.012 -4.081 -11.782 1.00 0.00 C ATOM 1257 O SER A 222 -9.614 -3.451 -10.913 1.00 0.00 O ATOM 1258 CB SER A 222 -8.000 -2.810 -13.685 1.00 0.00 C ATOM 1259 OG SER A 222 -6.882 -3.574 -14.103 1.00 0.00 O ATOM 0 H SER A 222 -10.453 -2.068 -13.260 1.00 0.00 H new ATOM 0 HA SER A 222 -9.126 -4.634 -13.843 1.00 0.00 H new ATOM 0 HB2 SER A 222 -8.325 -2.160 -14.498 1.00 0.00 H new ATOM 0 HB3 SER A 222 -7.713 -2.164 -12.856 1.00 0.00 H new ATOM 0 HG SER A 222 -6.157 -2.972 -14.374 1.00 0.00 H new ATOM 1265 N SER A 223 -8.209 -5.104 -11.509 1.00 0.00 N ATOM 1266 CA SER A 223 -7.987 -5.558 -10.140 1.00 0.00 C ATOM 1267 C SER A 223 -7.420 -4.432 -9.280 1.00 0.00 C ATOM 1268 O SER A 223 -6.848 -3.470 -9.794 1.00 0.00 O ATOM 1269 CB SER A 223 -7.035 -6.755 -10.125 1.00 0.00 C ATOM 1270 OG SER A 223 -7.645 -7.898 -10.700 1.00 0.00 O ATOM 0 H SER A 223 -7.701 -5.634 -12.217 1.00 0.00 H new ATOM 0 HA SER A 223 -8.947 -5.862 -9.724 1.00 0.00 H new ATOM 0 HB2 SER A 223 -6.127 -6.508 -10.675 1.00 0.00 H new ATOM 0 HB3 SER A 223 -6.738 -6.974 -9.100 1.00 0.00 H new ATOM 0 HG SER A 223 -7.016 -8.649 -10.680 1.00 0.00 H new ATOM 1276 N LEU A 224 -7.584 -4.559 -7.968 1.00 0.00 N ATOM 1277 CA LEU A 224 -7.089 -3.553 -7.035 1.00 0.00 C ATOM 1278 C LEU A 224 -5.646 -3.177 -7.354 1.00 0.00 C ATOM 1279 O LEU A 224 -4.891 -3.979 -7.905 1.00 0.00 O ATOM 1280 CB LEU A 224 -7.187 -4.070 -5.598 1.00 0.00 C ATOM 1281 CG LEU A 224 -6.587 -3.170 -4.518 1.00 0.00 C ATOM 1282 CD1 LEU A 224 -7.418 -1.907 -4.353 1.00 0.00 C ATOM 1283 CD2 LEU A 224 -6.481 -3.918 -3.198 1.00 0.00 C ATOM 0 H LEU A 224 -8.056 -5.348 -7.526 1.00 0.00 H new ATOM 0 HA LEU A 224 -7.708 -2.662 -7.138 1.00 0.00 H new ATOM 0 HB2 LEU A 224 -8.239 -4.234 -5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 224 -6.694 -5.041 -5.548 1.00 0.00 H new ATOM 0 HG LEU A 224 -5.583 -2.881 -4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 224 -6.976 -1.279 -3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 224 -7.441 -1.361 -5.296 1.00 0.00 H new ATOM 0 HD13 LEU A 224 -8.434 -2.175 -4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 224 -6.052 -3.261 -2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 224 -7.473 -4.238 -2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 224 -5.842 -4.792 -3.325 1.00 0.00 H new ATOM 1295 N VAL A 225 -5.267 -1.952 -7.003 1.00 0.00 N ATOM 1296 CA VAL A 225 -3.914 -1.470 -7.249 1.00 0.00 C ATOM 1297 C VAL A 225 -3.208 -1.123 -5.943 1.00 0.00 C ATOM 1298 O VAL A 225 -3.570 -0.160 -5.267 1.00 0.00 O ATOM 1299 CB VAL A 225 -3.916 -0.231 -8.164 1.00 0.00 C ATOM 1300 CG1 VAL A 225 -2.499 0.280 -8.376 1.00 0.00 C ATOM 1301 CG2 VAL A 225 -4.581 -0.553 -9.494 1.00 0.00 C ATOM 0 H VAL A 225 -5.879 -1.275 -6.547 1.00 0.00 H new ATOM 0 HA VAL A 225 -3.376 -2.278 -7.746 1.00 0.00 H new ATOM 0 HB VAL A 225 -4.491 0.557 -7.678 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -2.521 1.155 -9.025 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -2.063 0.552 -7.415 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -1.896 -0.501 -8.840 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -4.574 0.333 -10.128 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -4.036 -1.357 -9.988 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -5.610 -0.866 -9.320 1.00 0.00 H new ATOM 1311 N VAL A 226 -2.197 -1.913 -5.595 1.00 0.00 N ATOM 1312 CA VAL A 226 -1.439 -1.688 -4.370 1.00 0.00 C ATOM 1313 C VAL A 226 0.054 -1.888 -4.604 1.00 0.00 C ATOM 1314 O VAL A 226 0.529 -3.016 -4.730 1.00 0.00 O ATOM 1315 CB VAL A 226 -1.901 -2.631 -3.243 1.00 0.00 C ATOM 1316 CG1 VAL A 226 -1.225 -2.265 -1.930 1.00 0.00 C ATOM 1317 CG2 VAL A 226 -3.415 -2.590 -3.102 1.00 0.00 C ATOM 0 H VAL A 226 -1.884 -2.714 -6.144 1.00 0.00 H new ATOM 0 HA VAL A 226 -1.622 -0.657 -4.069 1.00 0.00 H new ATOM 0 HB VAL A 226 -1.610 -3.649 -3.502 1.00 0.00 H new ATOM 0 HG11 VAL A 226 -1.563 -2.942 -1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 226 -0.144 -2.350 -2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 226 -1.483 -1.240 -1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 226 -3.724 -3.262 -2.301 1.00 0.00 H new ATOM 0 HG22 VAL A 226 -3.731 -1.574 -2.865 1.00 0.00 H new ATOM 0 HG23 VAL A 226 -3.876 -2.905 -4.038 1.00 0.00 H new ATOM 1327 N LYS A 227 0.791 -0.783 -4.661 1.00 0.00 N ATOM 1328 CA LYS A 227 2.232 -0.835 -4.878 1.00 0.00 C ATOM 1329 C LYS A 227 2.970 -0.009 -3.830 1.00 0.00 C ATOM 1330 O LYS A 227 2.356 0.739 -3.069 1.00 0.00 O ATOM 1331 CB LYS A 227 2.576 -0.324 -6.279 1.00 0.00 C ATOM 1332 CG LYS A 227 2.092 1.091 -6.547 1.00 0.00 C ATOM 1333 CD LYS A 227 2.189 1.444 -8.022 1.00 0.00 C ATOM 1334 CE LYS A 227 1.794 2.890 -8.276 1.00 0.00 C ATOM 1335 NZ LYS A 227 1.333 3.102 -9.676 1.00 0.00 N ATOM 0 H LYS A 227 0.414 0.159 -4.560 1.00 0.00 H new ATOM 0 HA LYS A 227 2.551 -1.873 -4.788 1.00 0.00 H new ATOM 0 HB2 LYS A 227 3.657 -0.361 -6.415 1.00 0.00 H new ATOM 0 HB3 LYS A 227 2.139 -0.995 -7.019 1.00 0.00 H new ATOM 0 HG2 LYS A 227 1.059 1.192 -6.215 1.00 0.00 H new ATOM 0 HG3 LYS A 227 2.685 1.796 -5.964 1.00 0.00 H new ATOM 0 HD2 LYS A 227 3.208 1.278 -8.371 1.00 0.00 H new ATOM 0 HD3 LYS A 227 1.543 0.782 -8.599 1.00 0.00 H new ATOM 0 HE2 LYS A 227 1.001 3.176 -7.585 1.00 0.00 H new ATOM 0 HE3 LYS A 227 2.645 3.540 -8.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 227 1.073 4.100 -9.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 227 2.098 2.853 -10.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 227 0.505 2.501 -9.864 1.00 0.00 H new ATOM 1349 N PHE A 228 4.291 -0.149 -3.795 1.00 0.00 N ATOM 1350 CA PHE A 228 5.113 0.585 -2.840 1.00 0.00 C ATOM 1351 C PHE A 228 5.274 2.041 -3.266 1.00 0.00 C ATOM 1352 O PHE A 228 5.657 2.328 -4.400 1.00 0.00 O ATOM 1353 CB PHE A 228 6.488 -0.074 -2.706 1.00 0.00 C ATOM 1354 CG PHE A 228 6.421 -1.541 -2.390 1.00 0.00 C ATOM 1355 CD1 PHE A 228 6.090 -1.975 -1.117 1.00 0.00 C ATOM 1356 CD2 PHE A 228 6.691 -2.486 -3.367 1.00 0.00 C ATOM 1357 CE1 PHE A 228 6.028 -3.324 -0.823 1.00 0.00 C ATOM 1358 CE2 PHE A 228 6.630 -3.836 -3.080 1.00 0.00 C ATOM 1359 CZ PHE A 228 6.299 -4.256 -1.806 1.00 0.00 C ATOM 0 H PHE A 228 4.815 -0.764 -4.417 1.00 0.00 H new ATOM 0 HA PHE A 228 4.610 0.562 -1.873 1.00 0.00 H new ATOM 0 HB2 PHE A 228 7.041 0.065 -3.635 1.00 0.00 H new ATOM 0 HB3 PHE A 228 7.050 0.433 -1.922 1.00 0.00 H new ATOM 0 HD1 PHE A 228 5.878 -1.250 -0.345 1.00 0.00 H new ATOM 0 HD2 PHE A 228 6.952 -2.163 -4.364 1.00 0.00 H new ATOM 0 HE1 PHE A 228 5.768 -3.649 0.174 1.00 0.00 H new ATOM 0 HE2 PHE A 228 6.841 -4.562 -3.851 1.00 0.00 H new ATOM 0 HZ PHE A 228 6.252 -5.311 -1.579 1.00 0.00 H new