USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=17 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 201 HIS : no HD1:sc= -0.891 X(o=-1.4,f=-1.5) USER MOD Set 1.2: A 205 GLN : amide:sc= -0.471 K(o=-1.4,f=-2) USER MOD Set 2.1: A 162 GLN : amide:sc= -1.39 X(o=-2.1,f=-2.4!) USER MOD Set 2.2: A 217 MET CE :methyl 134:sc= -0.699 (180deg=-0.126) USER MOD Single : A 152 LYS NZ :NH3+ 159:sc= -0.0464 (180deg=-0.355) USER MOD Single : A 157 MET CE :methyl -137:sc= -0.309 (180deg=-1.02) USER MOD Single : A 159 ASN : amide:sc= -2.06 X(o=-2.1,f=-2.5!) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 176 ASN : amide:sc= -0.166 K(o=-0.17,f=-1.5) USER MOD Single : A 180 CYS SG : rot 180:sc= -0.0181 USER MOD Single : A 181 THR OG1 : rot 4:sc= 0.491 USER MOD Single : A 190 SER OG : rot 180:sc= 0 USER MOD Single : A 191 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 193 CYS SG : rot 8:sc= 0.664 USER MOD Single : A 197 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 198 TYR OH : rot -140:sc= -2.43! USER MOD Single : A 199 SER OG : rot 180:sc= -0.235 USER MOD Single : A 200 SER OG : rot 180:sc= 0 USER MOD Single : A 209 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 212 HIS : no HE2:sc= -1.41 K(o=-1.4,f=-10!) USER MOD Single : A 214 SER OG : rot 180:sc= 0 USER MOD Single : A 215 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 216 THR OG1 : rot 180:sc=-0.00697 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 5.610 2.191 3.503 1.00 0.00 N ATOM 218 CA LYS A 152 4.322 2.752 3.116 1.00 0.00 C ATOM 219 C LYS A 152 3.854 2.174 1.784 1.00 0.00 C ATOM 220 O LYS A 152 4.566 2.245 0.781 1.00 0.00 O ATOM 221 CB LYS A 152 4.415 4.276 3.018 1.00 0.00 C ATOM 222 CG LYS A 152 3.102 4.985 3.303 1.00 0.00 C ATOM 223 CD LYS A 152 3.265 6.496 3.269 1.00 0.00 C ATOM 224 CE LYS A 152 2.097 7.198 3.944 1.00 0.00 C ATOM 225 NZ LYS A 152 2.069 6.944 5.411 1.00 0.00 N ATOM 0 HA LYS A 152 3.594 2.487 3.883 1.00 0.00 H new ATOM 0 HB2 LYS A 152 5.170 4.631 3.719 1.00 0.00 H new ATOM 0 HB3 LYS A 152 4.755 4.547 2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 152 2.357 4.682 2.568 1.00 0.00 H new ATOM 0 HG3 LYS A 152 2.728 4.680 4.280 1.00 0.00 H new ATOM 0 HD2 LYS A 152 4.194 6.774 3.766 1.00 0.00 H new ATOM 0 HD3 LYS A 152 3.344 6.831 2.235 1.00 0.00 H new ATOM 0 HE2 LYS A 152 2.164 8.271 3.763 1.00 0.00 H new ATOM 0 HE3 LYS A 152 1.162 6.857 3.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 1.513 7.686 5.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 1.635 6.017 5.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 3.040 6.951 5.783 1.00 0.00 H new ATOM 239 N LEU A 153 2.654 1.605 1.780 1.00 0.00 N ATOM 240 CA LEU A 153 2.090 1.016 0.570 1.00 0.00 C ATOM 241 C LEU A 153 0.999 1.908 -0.012 1.00 0.00 C ATOM 242 O LEU A 153 0.114 2.374 0.707 1.00 0.00 O ATOM 243 CB LEU A 153 1.524 -0.373 0.871 1.00 0.00 C ATOM 244 CG LEU A 153 2.552 -1.479 1.110 1.00 0.00 C ATOM 245 CD1 LEU A 153 1.889 -2.697 1.736 1.00 0.00 C ATOM 246 CD2 LEU A 153 3.242 -1.857 -0.193 1.00 0.00 C ATOM 0 H LEU A 153 2.052 1.539 2.601 1.00 0.00 H new ATOM 0 HA LEU A 153 2.889 0.924 -0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 153 0.886 -0.300 1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 153 0.886 -0.671 0.039 1.00 0.00 H new ATOM 0 HG LEU A 153 3.306 -1.104 1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 153 2.636 -3.474 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 153 1.442 -2.418 2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 153 1.114 -3.073 1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 153 3.970 -2.646 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 153 2.500 -2.213 -0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 153 3.751 -0.984 -0.602 1.00 0.00 H new ATOM 258 N PHE A 154 1.065 2.140 -1.319 1.00 0.00 N ATOM 259 CA PHE A 154 0.081 2.975 -1.998 1.00 0.00 C ATOM 260 C PHE A 154 -1.065 2.130 -2.544 1.00 0.00 C ATOM 261 O PHE A 154 -0.845 1.077 -3.143 1.00 0.00 O ATOM 262 CB PHE A 154 0.742 3.755 -3.136 1.00 0.00 C ATOM 263 CG PHE A 154 -0.229 4.548 -3.963 1.00 0.00 C ATOM 264 CD1 PHE A 154 -0.984 5.558 -3.390 1.00 0.00 C ATOM 265 CD2 PHE A 154 -0.388 4.282 -5.314 1.00 0.00 C ATOM 266 CE1 PHE A 154 -1.880 6.289 -4.148 1.00 0.00 C ATOM 267 CE2 PHE A 154 -1.281 5.010 -6.078 1.00 0.00 C ATOM 268 CZ PHE A 154 -2.028 6.015 -5.494 1.00 0.00 C ATOM 0 H PHE A 154 1.790 1.761 -1.929 1.00 0.00 H new ATOM 0 HA PHE A 154 -0.325 3.679 -1.272 1.00 0.00 H new ATOM 0 HB2 PHE A 154 1.487 4.431 -2.717 1.00 0.00 H new ATOM 0 HB3 PHE A 154 1.273 3.057 -3.783 1.00 0.00 H new ATOM 0 HD1 PHE A 154 -0.871 5.777 -2.338 1.00 0.00 H new ATOM 0 HD2 PHE A 154 0.193 3.497 -5.775 1.00 0.00 H new ATOM 0 HE1 PHE A 154 -2.463 7.073 -3.688 1.00 0.00 H new ATOM 0 HE2 PHE A 154 -1.395 4.793 -7.130 1.00 0.00 H new ATOM 0 HZ PHE A 154 -2.726 6.585 -6.089 1.00 0.00 H new ATOM 278 N VAL A 155 -2.291 2.599 -2.334 1.00 0.00 N ATOM 279 CA VAL A 155 -3.473 1.887 -2.805 1.00 0.00 C ATOM 280 C VAL A 155 -4.335 2.780 -3.691 1.00 0.00 C ATOM 281 O VAL A 155 -4.889 3.778 -3.232 1.00 0.00 O ATOM 282 CB VAL A 155 -4.325 1.373 -1.629 1.00 0.00 C ATOM 283 CG1 VAL A 155 -5.451 0.484 -2.134 1.00 0.00 C ATOM 284 CG2 VAL A 155 -3.456 0.630 -0.626 1.00 0.00 C ATOM 0 H VAL A 155 -2.491 3.469 -1.841 1.00 0.00 H new ATOM 0 HA VAL A 155 -3.119 1.036 -3.386 1.00 0.00 H new ATOM 0 HB VAL A 155 -4.770 2.230 -1.124 1.00 0.00 H new ATOM 0 HG11 VAL A 155 -6.042 0.130 -1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 155 -6.089 1.053 -2.810 1.00 0.00 H new ATOM 0 HG13 VAL A 155 -5.030 -0.370 -2.665 1.00 0.00 H new ATOM 0 HG21 VAL A 155 -4.075 0.274 0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 155 -2.980 -0.220 -1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 155 -2.690 1.302 -0.240 1.00 0.00 H new ATOM 294 N GLY A 156 -4.444 2.413 -4.964 1.00 0.00 N ATOM 295 CA GLY A 156 -5.241 3.191 -5.895 1.00 0.00 C ATOM 296 C GLY A 156 -6.420 2.411 -6.441 1.00 0.00 C ATOM 297 O GLY A 156 -6.662 1.274 -6.037 1.00 0.00 O ATOM 0 H GLY A 156 -3.995 1.591 -5.367 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -5.604 4.089 -5.396 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -4.611 3.518 -6.722 1.00 0.00 H new ATOM 301 N MET A 157 -7.157 3.024 -7.362 1.00 0.00 N ATOM 302 CA MET A 157 -8.318 2.379 -7.964 1.00 0.00 C ATOM 303 C MET A 157 -9.341 1.996 -6.898 1.00 0.00 C ATOM 304 O MET A 157 -9.923 0.912 -6.943 1.00 0.00 O ATOM 305 CB MET A 157 -7.890 1.136 -8.746 1.00 0.00 C ATOM 306 CG MET A 157 -7.161 1.454 -10.041 1.00 0.00 C ATOM 307 SD MET A 157 -8.121 2.518 -11.135 1.00 0.00 S ATOM 308 CE MET A 157 -9.517 1.456 -11.501 1.00 0.00 C ATOM 0 H MET A 157 -6.971 3.966 -7.707 1.00 0.00 H new ATOM 0 HA MET A 157 -8.781 3.089 -8.649 1.00 0.00 H new ATOM 0 HB2 MET A 157 -7.244 0.525 -8.116 1.00 0.00 H new ATOM 0 HB3 MET A 157 -8.772 0.538 -8.973 1.00 0.00 H new ATOM 0 HG2 MET A 157 -6.212 1.938 -9.810 1.00 0.00 H new ATOM 0 HG3 MET A 157 -6.926 0.524 -10.559 1.00 0.00 H new ATOM 0 HE1 MET A 157 -9.753 1.518 -12.563 1.00 0.00 H new ATOM 0 HE2 MET A 157 -9.268 0.426 -11.244 1.00 0.00 H new ATOM 0 HE3 MET A 157 -10.381 1.777 -10.919 1.00 0.00 H new ATOM 318 N LEU A 158 -9.555 2.893 -5.942 1.00 0.00 N ATOM 319 CA LEU A 158 -10.508 2.649 -4.864 1.00 0.00 C ATOM 320 C LEU A 158 -11.799 3.428 -5.092 1.00 0.00 C ATOM 321 O LEU A 158 -11.923 4.171 -6.065 1.00 0.00 O ATOM 322 CB LEU A 158 -9.895 3.037 -3.517 1.00 0.00 C ATOM 323 CG LEU A 158 -8.866 2.064 -2.943 1.00 0.00 C ATOM 324 CD1 LEU A 158 -8.285 2.606 -1.646 1.00 0.00 C ATOM 325 CD2 LEU A 158 -9.493 0.696 -2.718 1.00 0.00 C ATOM 0 H LEU A 158 -9.082 3.795 -5.891 1.00 0.00 H new ATOM 0 HA LEU A 158 -10.745 1.585 -4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -9.422 4.013 -3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -10.702 3.151 -2.793 1.00 0.00 H new ATOM 0 HG LEU A 158 -8.055 1.956 -3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -7.554 1.900 -1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -7.799 3.563 -1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -9.085 2.744 -0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -8.746 0.016 -2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -10.323 0.787 -2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -9.860 0.304 -3.666 1.00 0.00 H new ATOM 337 N ASN A 159 -12.756 3.255 -4.187 1.00 0.00 N ATOM 338 CA ASN A 159 -14.038 3.944 -4.288 1.00 0.00 C ATOM 339 C ASN A 159 -14.331 4.739 -3.019 1.00 0.00 C ATOM 340 O ASN A 159 -13.611 4.631 -2.026 1.00 0.00 O ATOM 341 CB ASN A 159 -15.162 2.938 -4.544 1.00 0.00 C ATOM 342 CG ASN A 159 -15.199 2.467 -5.985 1.00 0.00 C ATOM 343 OD1 ASN A 159 -16.152 2.740 -6.715 1.00 0.00 O ATOM 344 ND2 ASN A 159 -14.159 1.754 -6.401 1.00 0.00 N ATOM 0 H ASN A 159 -12.669 2.644 -3.375 1.00 0.00 H new ATOM 0 HA ASN A 159 -13.983 4.639 -5.126 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -15.033 2.078 -3.887 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -16.119 3.394 -4.289 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -14.128 1.409 -7.360 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -13.391 1.552 -5.761 1.00 0.00 H new ATOM 351 N LYS A 160 -15.392 5.537 -3.059 1.00 0.00 N ATOM 352 CA LYS A 160 -15.783 6.349 -1.913 1.00 0.00 C ATOM 353 C LYS A 160 -16.857 5.646 -1.089 1.00 0.00 C ATOM 354 O LYS A 160 -17.898 6.229 -0.786 1.00 0.00 O ATOM 355 CB LYS A 160 -16.294 7.714 -2.379 1.00 0.00 C ATOM 356 CG LYS A 160 -15.240 8.548 -3.087 1.00 0.00 C ATOM 357 CD LYS A 160 -15.872 9.606 -3.976 1.00 0.00 C ATOM 358 CE LYS A 160 -14.961 9.974 -5.138 1.00 0.00 C ATOM 359 NZ LYS A 160 -15.389 11.238 -5.800 1.00 0.00 N ATOM 0 H LYS A 160 -15.997 5.639 -3.874 1.00 0.00 H new ATOM 0 HA LYS A 160 -14.904 6.493 -1.285 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -17.140 7.566 -3.050 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -16.665 8.268 -1.516 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -14.598 9.028 -2.349 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -14.604 7.898 -3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -16.824 9.239 -4.360 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -16.089 10.496 -3.386 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -13.938 10.081 -4.777 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -14.959 9.165 -5.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -14.743 11.454 -6.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -16.356 11.128 -6.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -15.367 12.016 -5.110 1.00 0.00 H new ATOM 373 N GLN A 161 -16.597 4.393 -0.730 1.00 0.00 N ATOM 374 CA GLN A 161 -17.543 3.613 0.059 1.00 0.00 C ATOM 375 C GLN A 161 -16.867 3.026 1.294 1.00 0.00 C ATOM 376 O GLN A 161 -17.349 3.192 2.414 1.00 0.00 O ATOM 377 CB GLN A 161 -18.144 2.491 -0.789 1.00 0.00 C ATOM 378 CG GLN A 161 -19.227 1.701 -0.073 1.00 0.00 C ATOM 379 CD GLN A 161 -19.973 0.761 -1.000 1.00 0.00 C ATOM 380 OE1 GLN A 161 -19.576 -0.389 -1.188 1.00 0.00 O ATOM 381 NE2 GLN A 161 -21.062 1.247 -1.585 1.00 0.00 N ATOM 0 H GLN A 161 -15.740 3.897 -0.973 1.00 0.00 H new ATOM 0 HA GLN A 161 -18.341 4.279 0.386 1.00 0.00 H new ATOM 0 HB2 GLN A 161 -18.561 2.919 -1.701 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -17.349 1.810 -1.092 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -18.777 1.126 0.736 1.00 0.00 H new ATOM 0 HG3 GLN A 161 -19.935 2.393 0.383 1.00 0.00 H new ATOM 0 HE21 GLN A 161 -21.355 2.206 -1.401 1.00 0.00 H new ATOM 0 HE22 GLN A 161 -21.605 0.661 -2.219 1.00 0.00 H new ATOM 390 N GLN A 162 -15.749 2.340 1.081 1.00 0.00 N ATOM 391 CA GLN A 162 -15.008 1.727 2.177 1.00 0.00 C ATOM 392 C GLN A 162 -14.457 2.790 3.122 1.00 0.00 C ATOM 393 O GLN A 162 -14.403 3.971 2.780 1.00 0.00 O ATOM 394 CB GLN A 162 -13.864 0.870 1.632 1.00 0.00 C ATOM 395 CG GLN A 162 -14.316 -0.183 0.633 1.00 0.00 C ATOM 396 CD GLN A 162 -13.324 -1.321 0.497 1.00 0.00 C ATOM 397 OE1 GLN A 162 -12.431 -1.485 1.329 1.00 0.00 O ATOM 398 NE2 GLN A 162 -13.475 -2.116 -0.557 1.00 0.00 N ATOM 0 H GLN A 162 -15.336 2.195 0.160 1.00 0.00 H new ATOM 0 HA GLN A 162 -15.695 1.090 2.735 1.00 0.00 H new ATOM 0 HB2 GLN A 162 -13.130 1.519 1.156 1.00 0.00 H new ATOM 0 HB3 GLN A 162 -13.362 0.377 2.464 1.00 0.00 H new ATOM 0 HG2 GLN A 162 -15.281 -0.583 0.944 1.00 0.00 H new ATOM 0 HG3 GLN A 162 -14.463 0.284 -0.341 1.00 0.00 H new ATOM 0 HE21 GLN A 162 -14.229 -1.944 -1.222 1.00 0.00 H new ATOM 0 HE22 GLN A 162 -12.837 -2.899 -0.701 1.00 0.00 H new ATOM 407 N SER A 163 -14.049 2.362 4.313 1.00 0.00 N ATOM 408 CA SER A 163 -13.506 3.277 5.309 1.00 0.00 C ATOM 409 C SER A 163 -12.226 2.717 5.921 1.00 0.00 C ATOM 410 O SER A 163 -11.802 1.609 5.593 1.00 0.00 O ATOM 411 CB SER A 163 -14.538 3.539 6.408 1.00 0.00 C ATOM 412 OG SER A 163 -15.031 2.324 6.945 1.00 0.00 O ATOM 0 H SER A 163 -14.085 1.387 4.611 1.00 0.00 H new ATOM 0 HA SER A 163 -13.269 4.217 4.811 1.00 0.00 H new ATOM 0 HB2 SER A 163 -14.086 4.134 7.202 1.00 0.00 H new ATOM 0 HB3 SER A 163 -15.364 4.123 6.003 1.00 0.00 H new ATOM 0 HG SER A 163 -15.687 2.519 7.646 1.00 0.00 H new ATOM 418 N GLU A 164 -11.615 3.491 6.813 1.00 0.00 N ATOM 419 CA GLU A 164 -10.383 3.072 7.471 1.00 0.00 C ATOM 420 C GLU A 164 -10.542 1.689 8.095 1.00 0.00 C ATOM 421 O GLU A 164 -9.605 0.891 8.110 1.00 0.00 O ATOM 422 CB GLU A 164 -9.982 4.086 8.545 1.00 0.00 C ATOM 423 CG GLU A 164 -9.139 5.234 8.014 1.00 0.00 C ATOM 424 CD GLU A 164 -8.231 5.828 9.073 1.00 0.00 C ATOM 425 OE1 GLU A 164 -8.678 6.745 9.793 1.00 0.00 O ATOM 426 OE2 GLU A 164 -7.072 5.375 9.181 1.00 0.00 O ATOM 0 H GLU A 164 -11.953 4.411 7.096 1.00 0.00 H new ATOM 0 HA GLU A 164 -9.597 3.022 6.717 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -10.883 4.491 9.005 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -9.427 3.571 9.329 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -8.534 4.880 7.179 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -9.795 6.012 7.625 1.00 0.00 H new ATOM 433 N ASP A 165 -11.735 1.413 8.610 1.00 0.00 N ATOM 434 CA ASP A 165 -12.019 0.127 9.236 1.00 0.00 C ATOM 435 C ASP A 165 -11.926 -1.005 8.217 1.00 0.00 C ATOM 436 O ASP A 165 -11.154 -1.949 8.392 1.00 0.00 O ATOM 437 CB ASP A 165 -13.409 0.142 9.874 1.00 0.00 C ATOM 438 CG ASP A 165 -13.730 -1.154 10.592 1.00 0.00 C ATOM 439 OD1 ASP A 165 -13.414 -2.231 10.043 1.00 0.00 O ATOM 440 OD2 ASP A 165 -14.298 -1.092 11.702 1.00 0.00 O ATOM 0 H ASP A 165 -12.521 2.063 8.606 1.00 0.00 H new ATOM 0 HA ASP A 165 -11.273 -0.044 10.012 1.00 0.00 H new ATOM 0 HB2 ASP A 165 -13.473 0.970 10.580 1.00 0.00 H new ATOM 0 HB3 ASP A 165 -14.158 0.322 9.103 1.00 0.00 H new ATOM 445 N ASP A 166 -12.716 -0.905 7.155 1.00 0.00 N ATOM 446 CA ASP A 166 -12.723 -1.920 6.108 1.00 0.00 C ATOM 447 C ASP A 166 -11.300 -2.282 5.693 1.00 0.00 C ATOM 448 O ASP A 166 -10.915 -3.452 5.712 1.00 0.00 O ATOM 449 CB ASP A 166 -13.511 -1.427 4.894 1.00 0.00 C ATOM 450 CG ASP A 166 -14.983 -1.229 5.200 1.00 0.00 C ATOM 451 OD1 ASP A 166 -15.638 -2.208 5.614 1.00 0.00 O ATOM 452 OD2 ASP A 166 -15.479 -0.096 5.026 1.00 0.00 O ATOM 0 H ASP A 166 -13.361 -0.131 6.996 1.00 0.00 H new ATOM 0 HA ASP A 166 -13.205 -2.813 6.506 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -13.085 -0.486 4.546 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -13.405 -2.144 4.080 1.00 0.00 H new ATOM 457 N VAL A 167 -10.523 -1.271 5.317 1.00 0.00 N ATOM 458 CA VAL A 167 -9.143 -1.483 4.898 1.00 0.00 C ATOM 459 C VAL A 167 -8.290 -1.997 6.052 1.00 0.00 C ATOM 460 O VAL A 167 -7.449 -2.877 5.872 1.00 0.00 O ATOM 461 CB VAL A 167 -8.518 -0.186 4.350 1.00 0.00 C ATOM 462 CG1 VAL A 167 -7.090 -0.435 3.888 1.00 0.00 C ATOM 463 CG2 VAL A 167 -9.364 0.375 3.217 1.00 0.00 C ATOM 0 H VAL A 167 -10.826 -0.297 5.294 1.00 0.00 H new ATOM 0 HA VAL A 167 -9.164 -2.231 4.106 1.00 0.00 H new ATOM 0 HB VAL A 167 -8.491 0.551 5.152 1.00 0.00 H new ATOM 0 HG11 VAL A 167 -6.665 0.492 3.504 1.00 0.00 H new ATOM 0 HG12 VAL A 167 -6.492 -0.788 4.728 1.00 0.00 H new ATOM 0 HG13 VAL A 167 -7.089 -1.188 3.100 1.00 0.00 H new ATOM 0 HG21 VAL A 167 -8.908 1.291 2.842 1.00 0.00 H new ATOM 0 HG22 VAL A 167 -9.425 -0.357 2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 167 -10.367 0.593 3.585 1.00 0.00 H new ATOM 473 N ARG A 168 -8.514 -1.441 7.239 1.00 0.00 N ATOM 474 CA ARG A 168 -7.765 -1.843 8.423 1.00 0.00 C ATOM 475 C ARG A 168 -7.724 -3.363 8.551 1.00 0.00 C ATOM 476 O ARG A 168 -6.665 -3.978 8.423 1.00 0.00 O ATOM 477 CB ARG A 168 -8.390 -1.232 9.679 1.00 0.00 C ATOM 478 CG ARG A 168 -7.819 0.130 10.042 1.00 0.00 C ATOM 479 CD ARG A 168 -6.622 0.003 10.970 1.00 0.00 C ATOM 480 NE ARG A 168 -7.022 -0.065 12.373 1.00 0.00 N ATOM 481 CZ ARG A 168 -6.159 -0.118 13.382 1.00 0.00 C ATOM 482 NH1 ARG A 168 -4.855 -0.109 13.144 1.00 0.00 N ATOM 483 NH2 ARG A 168 -6.600 -0.178 14.632 1.00 0.00 N ATOM 0 H ARG A 168 -9.207 -0.712 7.405 1.00 0.00 H new ATOM 0 HA ARG A 168 -6.744 -1.477 8.318 1.00 0.00 H new ATOM 0 HB2 ARG A 168 -9.466 -1.138 9.530 1.00 0.00 H new ATOM 0 HB3 ARG A 168 -8.242 -1.914 10.517 1.00 0.00 H new ATOM 0 HG2 ARG A 168 -7.523 0.655 9.134 1.00 0.00 H new ATOM 0 HG3 ARG A 168 -8.590 0.733 10.522 1.00 0.00 H new ATOM 0 HD2 ARG A 168 -6.056 -0.892 10.711 1.00 0.00 H new ATOM 0 HD3 ARG A 168 -5.958 0.855 10.823 1.00 0.00 H new ATOM 0 HE ARG A 168 -8.019 -0.072 12.590 1.00 0.00 H new ATOM 0 HH11 ARG A 168 -4.512 -0.061 12.185 1.00 0.00 H new ATOM 0 HH12 ARG A 168 -4.195 -0.150 13.920 1.00 0.00 H new ATOM 0 HH21 ARG A 168 -7.603 -0.184 14.819 1.00 0.00 H new ATOM 0 HH22 ARG A 168 -5.936 -0.219 15.406 1.00 0.00 H new ATOM 497 N ARG A 169 -8.883 -3.962 8.805 1.00 0.00 N ATOM 498 CA ARG A 169 -8.979 -5.409 8.952 1.00 0.00 C ATOM 499 C ARG A 169 -8.541 -6.116 7.672 1.00 0.00 C ATOM 500 O ARG A 169 -7.682 -6.998 7.701 1.00 0.00 O ATOM 501 CB ARG A 169 -10.412 -5.813 9.305 1.00 0.00 C ATOM 502 CG ARG A 169 -10.713 -5.750 10.794 1.00 0.00 C ATOM 503 CD ARG A 169 -10.268 -7.018 11.506 1.00 0.00 C ATOM 504 NE ARG A 169 -11.285 -8.064 11.447 1.00 0.00 N ATOM 505 CZ ARG A 169 -12.418 -8.028 12.140 1.00 0.00 C ATOM 506 NH1 ARG A 169 -12.677 -7.003 12.939 1.00 0.00 N ATOM 507 NH2 ARG A 169 -13.294 -9.019 12.033 1.00 0.00 N ATOM 0 H ARG A 169 -9.768 -3.467 8.913 1.00 0.00 H new ATOM 0 HA ARG A 169 -8.313 -5.712 9.760 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -11.106 -5.160 8.775 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -10.593 -6.827 8.949 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -10.208 -4.889 11.232 1.00 0.00 H new ATOM 0 HG3 ARG A 169 -11.783 -5.603 10.944 1.00 0.00 H new ATOM 0 HD2 ARG A 169 -9.346 -7.383 11.054 1.00 0.00 H new ATOM 0 HD3 ARG A 169 -10.043 -6.789 12.548 1.00 0.00 H new ATOM 0 HE ARG A 169 -11.116 -8.866 10.840 1.00 0.00 H new ATOM 0 HH11 ARG A 169 -12.006 -6.239 13.023 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -13.547 -6.978 13.470 1.00 0.00 H new ATOM 0 HH21 ARG A 169 -13.098 -9.809 11.418 1.00 0.00 H new ATOM 0 HH22 ARG A 169 -14.164 -8.991 12.565 1.00 0.00 H new ATOM 521 N LEU A 170 -9.137 -5.723 6.552 1.00 0.00 N ATOM 522 CA LEU A 170 -8.809 -6.318 5.261 1.00 0.00 C ATOM 523 C LEU A 170 -7.303 -6.518 5.121 1.00 0.00 C ATOM 524 O LEU A 170 -6.818 -7.648 5.063 1.00 0.00 O ATOM 525 CB LEU A 170 -9.326 -5.436 4.124 1.00 0.00 C ATOM 526 CG LEU A 170 -9.408 -6.096 2.747 1.00 0.00 C ATOM 527 CD1 LEU A 170 -10.619 -7.013 2.665 1.00 0.00 C ATOM 528 CD2 LEU A 170 -9.461 -5.041 1.652 1.00 0.00 C ATOM 0 H LEU A 170 -9.850 -4.995 6.512 1.00 0.00 H new ATOM 0 HA LEU A 170 -9.293 -7.293 5.204 1.00 0.00 H new ATOM 0 HB2 LEU A 170 -10.320 -5.077 4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 170 -8.681 -4.561 4.048 1.00 0.00 H new ATOM 0 HG LEU A 170 -8.511 -6.698 2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 170 -10.661 -7.474 1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 170 -10.539 -7.790 3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 170 -11.527 -6.433 2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 170 -9.519 -5.529 0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 170 -10.339 -4.412 1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 170 -8.563 -4.425 1.696 1.00 0.00 H new ATOM 540 N PHE A 171 -6.567 -5.412 5.069 1.00 0.00 N ATOM 541 CA PHE A 171 -5.116 -5.465 4.937 1.00 0.00 C ATOM 542 C PHE A 171 -4.498 -6.298 6.055 1.00 0.00 C ATOM 543 O PHE A 171 -4.014 -7.406 5.823 1.00 0.00 O ATOM 544 CB PHE A 171 -4.529 -4.052 4.954 1.00 0.00 C ATOM 545 CG PHE A 171 -4.640 -3.341 3.636 1.00 0.00 C ATOM 546 CD1 PHE A 171 -5.879 -3.110 3.060 1.00 0.00 C ATOM 547 CD2 PHE A 171 -3.505 -2.902 2.973 1.00 0.00 C ATOM 548 CE1 PHE A 171 -5.984 -2.456 1.847 1.00 0.00 C ATOM 549 CE2 PHE A 171 -3.604 -2.247 1.759 1.00 0.00 C ATOM 550 CZ PHE A 171 -4.845 -2.023 1.196 1.00 0.00 C ATOM 0 H PHE A 171 -6.952 -4.469 5.116 1.00 0.00 H new ATOM 0 HA PHE A 171 -4.880 -5.937 3.983 1.00 0.00 H new ATOM 0 HB2 PHE A 171 -5.038 -3.465 5.718 1.00 0.00 H new ATOM 0 HB3 PHE A 171 -3.479 -4.107 5.241 1.00 0.00 H new ATOM 0 HD1 PHE A 171 -6.773 -3.445 3.565 1.00 0.00 H new ATOM 0 HD2 PHE A 171 -2.532 -3.073 3.409 1.00 0.00 H new ATOM 0 HE1 PHE A 171 -6.956 -2.284 1.408 1.00 0.00 H new ATOM 0 HE2 PHE A 171 -2.712 -1.911 1.252 1.00 0.00 H new ATOM 0 HZ PHE A 171 -4.925 -1.510 0.249 1.00 0.00 H new ATOM 560 N GLU A 172 -4.518 -5.756 7.269 1.00 0.00 N ATOM 561 CA GLU A 172 -3.958 -6.449 8.424 1.00 0.00 C ATOM 562 C GLU A 172 -4.317 -7.932 8.395 1.00 0.00 C ATOM 563 O GLU A 172 -3.615 -8.763 8.972 1.00 0.00 O ATOM 564 CB GLU A 172 -4.464 -5.816 9.721 1.00 0.00 C ATOM 565 CG GLU A 172 -5.747 -6.440 10.244 1.00 0.00 C ATOM 566 CD GLU A 172 -5.532 -7.835 10.800 1.00 0.00 C ATOM 567 OE1 GLU A 172 -4.529 -8.042 11.513 1.00 0.00 O ATOM 568 OE2 GLU A 172 -6.369 -8.719 10.521 1.00 0.00 O ATOM 0 H GLU A 172 -4.915 -4.840 7.478 1.00 0.00 H new ATOM 0 HA GLU A 172 -2.873 -6.354 8.381 1.00 0.00 H new ATOM 0 HB2 GLU A 172 -3.690 -5.904 10.484 1.00 0.00 H new ATOM 0 HB3 GLU A 172 -4.629 -4.751 9.555 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -6.165 -5.803 11.023 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -6.481 -6.483 9.439 1.00 0.00 H new ATOM 575 N ALA A 173 -5.415 -8.256 7.720 1.00 0.00 N ATOM 576 CA ALA A 173 -5.867 -9.638 7.614 1.00 0.00 C ATOM 577 C ALA A 173 -4.708 -10.571 7.279 1.00 0.00 C ATOM 578 O ALA A 173 -4.779 -11.776 7.518 1.00 0.00 O ATOM 579 CB ALA A 173 -6.962 -9.756 6.565 1.00 0.00 C ATOM 0 H ALA A 173 -6.008 -7.580 7.238 1.00 0.00 H new ATOM 0 HA ALA A 173 -6.272 -9.937 8.581 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -7.290 -10.793 6.496 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -7.806 -9.126 6.847 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -6.576 -9.433 5.598 1.00 0.00 H new ATOM 585 N PHE A 174 -3.641 -10.005 6.722 1.00 0.00 N ATOM 586 CA PHE A 174 -2.467 -10.787 6.352 1.00 0.00 C ATOM 587 C PHE A 174 -1.242 -10.335 7.141 1.00 0.00 C ATOM 588 O PHE A 174 -0.710 -11.080 7.963 1.00 0.00 O ATOM 589 CB PHE A 174 -2.197 -10.661 4.852 1.00 0.00 C ATOM 590 CG PHE A 174 -3.339 -11.128 3.995 1.00 0.00 C ATOM 591 CD1 PHE A 174 -4.363 -10.262 3.651 1.00 0.00 C ATOM 592 CD2 PHE A 174 -3.388 -12.435 3.535 1.00 0.00 C ATOM 593 CE1 PHE A 174 -5.416 -10.688 2.863 1.00 0.00 C ATOM 594 CE2 PHE A 174 -4.438 -12.866 2.746 1.00 0.00 C ATOM 595 CZ PHE A 174 -5.453 -11.993 2.411 1.00 0.00 C ATOM 0 H PHE A 174 -3.566 -9.009 6.517 1.00 0.00 H new ATOM 0 HA PHE A 174 -2.666 -11.831 6.592 1.00 0.00 H new ATOM 0 HB2 PHE A 174 -1.979 -9.619 4.617 1.00 0.00 H new ATOM 0 HB3 PHE A 174 -1.306 -11.237 4.602 1.00 0.00 H new ATOM 0 HD1 PHE A 174 -4.339 -9.241 4.003 1.00 0.00 H new ATOM 0 HD2 PHE A 174 -2.598 -13.123 3.796 1.00 0.00 H new ATOM 0 HE1 PHE A 174 -6.208 -10.002 2.601 1.00 0.00 H new ATOM 0 HE2 PHE A 174 -4.464 -13.886 2.392 1.00 0.00 H new ATOM 0 HZ PHE A 174 -6.275 -12.329 1.796 1.00 0.00 H new ATOM 605 N GLY A 175 -0.800 -9.108 6.884 1.00 0.00 N ATOM 606 CA GLY A 175 0.360 -8.577 7.577 1.00 0.00 C ATOM 607 C GLY A 175 0.014 -7.401 8.469 1.00 0.00 C ATOM 608 O GLY A 175 -0.712 -6.496 8.060 1.00 0.00 O ATOM 0 H GLY A 175 -1.224 -8.472 6.209 1.00 0.00 H new ATOM 0 HA2 GLY A 175 0.812 -9.365 8.179 1.00 0.00 H new ATOM 0 HA3 GLY A 175 1.106 -8.267 6.845 1.00 0.00 H new ATOM 612 N ASN A 176 0.533 -7.416 9.692 1.00 0.00 N ATOM 613 CA ASN A 176 0.273 -6.344 10.646 1.00 0.00 C ATOM 614 C ASN A 176 0.420 -4.978 9.983 1.00 0.00 C ATOM 615 O ASN A 176 1.148 -4.829 9.001 1.00 0.00 O ATOM 616 CB ASN A 176 1.227 -6.451 11.838 1.00 0.00 C ATOM 617 CG ASN A 176 1.118 -7.786 12.549 1.00 0.00 C ATOM 618 OD1 ASN A 176 0.226 -8.584 12.260 1.00 0.00 O ATOM 619 ND2 ASN A 176 2.027 -8.034 13.484 1.00 0.00 N ATOM 0 H ASN A 176 1.136 -8.159 10.046 1.00 0.00 H new ATOM 0 HA ASN A 176 -0.753 -6.447 11.000 1.00 0.00 H new ATOM 0 HB2 ASN A 176 2.251 -6.309 11.494 1.00 0.00 H new ATOM 0 HB3 ASN A 176 1.013 -5.648 12.544 1.00 0.00 H new ATOM 0 HD21 ASN A 176 2.004 -8.916 13.996 1.00 0.00 H new ATOM 0 HD22 ASN A 176 2.748 -7.343 13.690 1.00 0.00 H new ATOM 626 N ILE A 177 -0.275 -3.985 10.527 1.00 0.00 N ATOM 627 CA ILE A 177 -0.220 -2.631 9.989 1.00 0.00 C ATOM 628 C ILE A 177 0.462 -1.679 10.965 1.00 0.00 C ATOM 629 O ILE A 177 0.092 -1.606 12.136 1.00 0.00 O ATOM 630 CB ILE A 177 -1.628 -2.096 9.666 1.00 0.00 C ATOM 631 CG1 ILE A 177 -2.322 -3.005 8.649 1.00 0.00 C ATOM 632 CG2 ILE A 177 -1.545 -0.671 9.141 1.00 0.00 C ATOM 633 CD1 ILE A 177 -3.665 -2.482 8.189 1.00 0.00 C ATOM 0 H ILE A 177 -0.882 -4.092 11.339 1.00 0.00 H new ATOM 0 HA ILE A 177 0.361 -2.681 9.068 1.00 0.00 H new ATOM 0 HB ILE A 177 -2.218 -2.091 10.582 1.00 0.00 H new ATOM 0 HG12 ILE A 177 -1.673 -3.129 7.782 1.00 0.00 H new ATOM 0 HG13 ILE A 177 -2.457 -3.993 9.090 1.00 0.00 H new ATOM 0 HG21 ILE A 177 -2.548 -0.307 8.917 1.00 0.00 H new ATOM 0 HG22 ILE A 177 -1.087 -0.031 9.895 1.00 0.00 H new ATOM 0 HG23 ILE A 177 -0.941 -0.652 8.234 1.00 0.00 H new ATOM 0 HD11 ILE A 177 -4.099 -3.177 7.470 1.00 0.00 H new ATOM 0 HD12 ILE A 177 -4.331 -2.385 9.047 1.00 0.00 H new ATOM 0 HD13 ILE A 177 -3.534 -1.507 7.719 1.00 0.00 H new ATOM 645 N GLU A 178 1.458 -0.949 10.473 1.00 0.00 N ATOM 646 CA GLU A 178 2.191 0.000 11.303 1.00 0.00 C ATOM 647 C GLU A 178 1.446 1.328 11.397 1.00 0.00 C ATOM 648 O GLU A 178 1.426 1.966 12.450 1.00 0.00 O ATOM 649 CB GLU A 178 3.594 0.228 10.737 1.00 0.00 C ATOM 650 CG GLU A 178 4.632 -0.744 11.272 1.00 0.00 C ATOM 651 CD GLU A 178 4.798 -0.651 12.777 1.00 0.00 C ATOM 652 OE1 GLU A 178 3.962 -1.229 13.502 1.00 0.00 O ATOM 653 OE2 GLU A 178 5.763 -0.001 13.228 1.00 0.00 O ATOM 0 H GLU A 178 1.776 -0.996 9.505 1.00 0.00 H new ATOM 0 HA GLU A 178 2.275 -0.421 12.305 1.00 0.00 H new ATOM 0 HB2 GLU A 178 3.556 0.145 9.651 1.00 0.00 H new ATOM 0 HB3 GLU A 178 3.909 1.246 10.968 1.00 0.00 H new ATOM 0 HG2 GLU A 178 4.344 -1.761 11.004 1.00 0.00 H new ATOM 0 HG3 GLU A 178 5.590 -0.547 10.792 1.00 0.00 H new ATOM 660 N GLU A 179 0.837 1.738 10.290 1.00 0.00 N ATOM 661 CA GLU A 179 0.092 2.991 10.247 1.00 0.00 C ATOM 662 C GLU A 179 -0.807 3.049 9.016 1.00 0.00 C ATOM 663 O GLU A 179 -0.359 2.806 7.895 1.00 0.00 O ATOM 664 CB GLU A 179 1.053 4.182 10.246 1.00 0.00 C ATOM 665 CG GLU A 179 0.392 5.498 9.874 1.00 0.00 C ATOM 666 CD GLU A 179 -0.615 5.959 10.910 1.00 0.00 C ATOM 667 OE1 GLU A 179 -1.405 5.116 11.385 1.00 0.00 O ATOM 668 OE2 GLU A 179 -0.614 7.161 11.246 1.00 0.00 O ATOM 0 H GLU A 179 0.844 1.221 9.411 1.00 0.00 H new ATOM 0 HA GLU A 179 -0.536 3.040 11.137 1.00 0.00 H new ATOM 0 HB2 GLU A 179 1.501 4.277 11.235 1.00 0.00 H new ATOM 0 HB3 GLU A 179 1.865 3.982 9.546 1.00 0.00 H new ATOM 0 HG2 GLU A 179 1.158 6.263 9.752 1.00 0.00 H new ATOM 0 HG3 GLU A 179 -0.107 5.390 8.911 1.00 0.00 H new ATOM 675 N CYS A 180 -2.078 3.371 9.233 1.00 0.00 N ATOM 676 CA CYS A 180 -3.041 3.459 8.142 1.00 0.00 C ATOM 677 C CYS A 180 -3.520 4.895 7.953 1.00 0.00 C ATOM 678 O CYS A 180 -3.699 5.634 8.922 1.00 0.00 O ATOM 679 CB CYS A 180 -4.235 2.542 8.413 1.00 0.00 C ATOM 680 SG CYS A 180 -5.474 2.533 7.095 1.00 0.00 S ATOM 0 H CYS A 180 -2.465 3.575 10.154 1.00 0.00 H new ATOM 0 HA CYS A 180 -2.545 3.137 7.226 1.00 0.00 H new ATOM 0 HB2 CYS A 180 -3.872 1.525 8.562 1.00 0.00 H new ATOM 0 HB3 CYS A 180 -4.712 2.850 9.343 1.00 0.00 H new ATOM 0 HG CYS A 180 -6.442 1.727 7.415 1.00 0.00 H new ATOM 686 N THR A 181 -3.723 5.285 6.699 1.00 0.00 N ATOM 687 CA THR A 181 -4.178 6.633 6.382 1.00 0.00 C ATOM 688 C THR A 181 -4.904 6.668 5.042 1.00 0.00 C ATOM 689 O THR A 181 -4.547 5.943 4.113 1.00 0.00 O ATOM 690 CB THR A 181 -3.002 7.627 6.342 1.00 0.00 C ATOM 691 OG1 THR A 181 -2.447 7.783 7.653 1.00 0.00 O ATOM 692 CG2 THR A 181 -3.455 8.980 5.814 1.00 0.00 C ATOM 0 H THR A 181 -3.579 4.686 5.886 1.00 0.00 H new ATOM 0 HA THR A 181 -4.868 6.928 7.173 1.00 0.00 H new ATOM 0 HB THR A 181 -2.241 7.228 5.671 1.00 0.00 H new ATOM 0 HG1 THR A 181 -2.903 7.179 8.275 1.00 0.00 H new ATOM 0 HG21 THR A 181 -2.608 9.665 5.795 1.00 0.00 H new ATOM 0 HG22 THR A 181 -3.850 8.863 4.805 1.00 0.00 H new ATOM 0 HG23 THR A 181 -4.232 9.382 6.464 1.00 0.00 H new ATOM 700 N ILE A 182 -5.923 7.515 4.949 1.00 0.00 N ATOM 701 CA ILE A 182 -6.698 7.646 3.722 1.00 0.00 C ATOM 702 C ILE A 182 -6.420 8.978 3.034 1.00 0.00 C ATOM 703 O ILE A 182 -6.171 9.989 3.693 1.00 0.00 O ATOM 704 CB ILE A 182 -8.209 7.528 3.994 1.00 0.00 C ATOM 705 CG1 ILE A 182 -8.501 6.291 4.847 1.00 0.00 C ATOM 706 CG2 ILE A 182 -8.981 7.468 2.685 1.00 0.00 C ATOM 707 CD1 ILE A 182 -8.051 4.996 4.208 1.00 0.00 C ATOM 0 H ILE A 182 -6.231 8.121 5.709 1.00 0.00 H new ATOM 0 HA ILE A 182 -6.390 6.831 3.068 1.00 0.00 H new ATOM 0 HB ILE A 182 -8.533 8.411 4.544 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -8.007 6.401 5.813 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -9.572 6.238 5.041 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -10.047 7.385 2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -8.794 8.375 2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -8.656 6.601 2.110 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -8.290 4.162 4.868 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -8.564 4.863 3.255 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -6.975 5.028 4.039 1.00 0.00 H new ATOM 719 N LEU A 183 -6.465 8.973 1.707 1.00 0.00 N ATOM 720 CA LEU A 183 -6.220 10.183 0.928 1.00 0.00 C ATOM 721 C LEU A 183 -7.528 10.892 0.597 1.00 0.00 C ATOM 722 O LEU A 183 -8.410 10.321 -0.046 1.00 0.00 O ATOM 723 CB LEU A 183 -5.471 9.840 -0.361 1.00 0.00 C ATOM 724 CG LEU A 183 -3.965 9.616 -0.224 1.00 0.00 C ATOM 725 CD1 LEU A 183 -3.369 9.167 -1.548 1.00 0.00 C ATOM 726 CD2 LEU A 183 -3.281 10.883 0.269 1.00 0.00 C ATOM 0 H LEU A 183 -6.669 8.145 1.147 1.00 0.00 H new ATOM 0 HA LEU A 183 -5.607 10.855 1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -5.915 8.940 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -5.634 10.645 -1.077 1.00 0.00 H new ATOM 0 HG LEU A 183 -3.799 8.828 0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -2.296 9.013 -1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -3.838 8.234 -1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -3.545 9.932 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -2.209 10.706 0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -3.456 11.691 -0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -3.687 11.161 1.241 1.00 0.00 H new ATOM 816 N SER A 190 -12.602 11.722 -0.223 1.00 0.00 N ATOM 817 CA SER A 190 -11.762 10.603 -0.633 1.00 0.00 C ATOM 818 C SER A 190 -11.560 10.601 -2.145 1.00 0.00 C ATOM 819 O SER A 190 -12.515 10.728 -2.912 1.00 0.00 O ATOM 820 CB SER A 190 -12.387 9.279 -0.189 1.00 0.00 C ATOM 821 OG SER A 190 -11.419 8.244 -0.155 1.00 0.00 O ATOM 0 HA SER A 190 -10.789 10.716 -0.154 1.00 0.00 H new ATOM 0 HB2 SER A 190 -12.833 9.397 0.799 1.00 0.00 H new ATOM 0 HB3 SER A 190 -13.192 9.006 -0.872 1.00 0.00 H new ATOM 0 HG SER A 190 -11.843 7.409 0.133 1.00 0.00 H new ATOM 827 N LYS A 191 -10.308 10.457 -2.568 1.00 0.00 N ATOM 828 CA LYS A 191 -9.978 10.437 -3.988 1.00 0.00 C ATOM 829 C LYS A 191 -9.679 9.017 -4.457 1.00 0.00 C ATOM 830 O LYS A 191 -8.865 8.808 -5.356 1.00 0.00 O ATOM 831 CB LYS A 191 -8.774 11.341 -4.265 1.00 0.00 C ATOM 832 CG LYS A 191 -9.130 12.814 -4.365 1.00 0.00 C ATOM 833 CD LYS A 191 -7.985 13.625 -4.950 1.00 0.00 C ATOM 834 CE LYS A 191 -8.480 14.929 -5.557 1.00 0.00 C ATOM 835 NZ LYS A 191 -7.385 15.674 -6.238 1.00 0.00 N ATOM 0 H LYS A 191 -9.505 10.352 -1.947 1.00 0.00 H new ATOM 0 HA LYS A 191 -10.840 10.810 -4.541 1.00 0.00 H new ATOM 0 HB2 LYS A 191 -8.039 11.206 -3.471 1.00 0.00 H new ATOM 0 HB3 LYS A 191 -8.300 11.026 -5.195 1.00 0.00 H new ATOM 0 HG2 LYS A 191 -10.017 12.934 -4.987 1.00 0.00 H new ATOM 0 HG3 LYS A 191 -9.380 13.197 -3.376 1.00 0.00 H new ATOM 0 HD2 LYS A 191 -7.254 13.840 -4.170 1.00 0.00 H new ATOM 0 HD3 LYS A 191 -7.474 13.038 -5.713 1.00 0.00 H new ATOM 0 HE2 LYS A 191 -9.275 14.718 -6.272 1.00 0.00 H new ATOM 0 HE3 LYS A 191 -8.912 15.553 -4.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 191 -7.762 16.556 -6.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 191 -6.637 15.898 -5.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 191 -6.989 15.089 -7.001 1.00 0.00 H new ATOM 849 N GLY A 192 -10.345 8.043 -3.844 1.00 0.00 N ATOM 850 CA GLY A 192 -10.138 6.655 -4.214 1.00 0.00 C ATOM 851 C GLY A 192 -8.694 6.222 -4.055 1.00 0.00 C ATOM 852 O GLY A 192 -8.164 5.487 -4.889 1.00 0.00 O ATOM 0 H GLY A 192 -11.024 8.191 -3.098 1.00 0.00 H new ATOM 0 HA2 GLY A 192 -10.775 6.019 -3.599 1.00 0.00 H new ATOM 0 HA3 GLY A 192 -10.446 6.508 -5.249 1.00 0.00 H new ATOM 856 N CYS A 193 -8.055 6.680 -2.984 1.00 0.00 N ATOM 857 CA CYS A 193 -6.662 6.337 -2.721 1.00 0.00 C ATOM 858 C CYS A 193 -6.373 6.350 -1.223 1.00 0.00 C ATOM 859 O CYS A 193 -7.035 7.051 -0.459 1.00 0.00 O ATOM 860 CB CYS A 193 -5.730 7.314 -3.440 1.00 0.00 C ATOM 861 SG CYS A 193 -5.770 7.180 -5.243 1.00 0.00 S ATOM 0 H CYS A 193 -8.479 7.289 -2.284 1.00 0.00 H new ATOM 0 HA CYS A 193 -6.484 5.330 -3.099 1.00 0.00 H new ATOM 0 HB2 CYS A 193 -5.998 8.332 -3.156 1.00 0.00 H new ATOM 0 HB3 CYS A 193 -4.709 7.146 -3.096 1.00 0.00 H new ATOM 0 HG CYS A 193 -6.723 6.370 -5.597 1.00 0.00 H new ATOM 867 N ALA A 194 -5.382 5.567 -0.811 1.00 0.00 N ATOM 868 CA ALA A 194 -5.005 5.488 0.595 1.00 0.00 C ATOM 869 C ALA A 194 -3.613 4.887 0.758 1.00 0.00 C ATOM 870 O ALA A 194 -3.054 4.325 -0.185 1.00 0.00 O ATOM 871 CB ALA A 194 -6.028 4.672 1.371 1.00 0.00 C ATOM 0 H ALA A 194 -4.826 4.978 -1.431 1.00 0.00 H new ATOM 0 HA ALA A 194 -4.984 6.501 0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 194 -5.734 4.621 2.419 1.00 0.00 H new ATOM 0 HB2 ALA A 194 -7.007 5.145 1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 194 -6.078 3.664 0.959 1.00 0.00 H new ATOM 877 N PHE A 195 -3.057 5.009 1.959 1.00 0.00 N ATOM 878 CA PHE A 195 -1.729 4.479 2.244 1.00 0.00 C ATOM 879 C PHE A 195 -1.764 3.546 3.451 1.00 0.00 C ATOM 880 O PHE A 195 -2.360 3.864 4.480 1.00 0.00 O ATOM 881 CB PHE A 195 -0.744 5.623 2.498 1.00 0.00 C ATOM 882 CG PHE A 195 -0.396 6.399 1.261 1.00 0.00 C ATOM 883 CD1 PHE A 195 0.542 5.914 0.364 1.00 0.00 C ATOM 884 CD2 PHE A 195 -1.006 7.615 0.995 1.00 0.00 C ATOM 885 CE1 PHE A 195 0.865 6.627 -0.775 1.00 0.00 C ATOM 886 CE2 PHE A 195 -0.687 8.332 -0.143 1.00 0.00 C ATOM 887 CZ PHE A 195 0.250 7.837 -1.029 1.00 0.00 C ATOM 0 H PHE A 195 -3.506 5.470 2.750 1.00 0.00 H new ATOM 0 HA PHE A 195 -1.398 3.909 1.376 1.00 0.00 H new ATOM 0 HB2 PHE A 195 -1.171 6.303 3.236 1.00 0.00 H new ATOM 0 HB3 PHE A 195 0.170 5.216 2.931 1.00 0.00 H new ATOM 0 HD1 PHE A 195 1.026 4.968 0.557 1.00 0.00 H new ATOM 0 HD2 PHE A 195 -1.739 8.007 1.685 1.00 0.00 H new ATOM 0 HE1 PHE A 195 1.598 6.238 -1.466 1.00 0.00 H new ATOM 0 HE2 PHE A 195 -1.170 9.278 -0.339 1.00 0.00 H new ATOM 0 HZ PHE A 195 0.501 8.395 -1.919 1.00 0.00 H new ATOM 897 N VAL A 196 -1.121 2.390 3.316 1.00 0.00 N ATOM 898 CA VAL A 196 -1.077 1.409 4.393 1.00 0.00 C ATOM 899 C VAL A 196 0.357 0.984 4.691 1.00 0.00 C ATOM 900 O VAL A 196 1.046 0.436 3.830 1.00 0.00 O ATOM 901 CB VAL A 196 -1.910 0.160 4.050 1.00 0.00 C ATOM 902 CG1 VAL A 196 -1.978 -0.781 5.243 1.00 0.00 C ATOM 903 CG2 VAL A 196 -3.306 0.560 3.596 1.00 0.00 C ATOM 0 H VAL A 196 -0.623 2.110 2.471 1.00 0.00 H new ATOM 0 HA VAL A 196 -1.502 1.888 5.275 1.00 0.00 H new ATOM 0 HB VAL A 196 -1.422 -0.367 3.230 1.00 0.00 H new ATOM 0 HG11 VAL A 196 -2.571 -1.658 4.982 1.00 0.00 H new ATOM 0 HG12 VAL A 196 -0.971 -1.093 5.518 1.00 0.00 H new ATOM 0 HG13 VAL A 196 -2.442 -0.268 6.085 1.00 0.00 H new ATOM 0 HG21 VAL A 196 -3.881 -0.335 3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 196 -3.805 1.110 4.394 1.00 0.00 H new ATOM 0 HG23 VAL A 196 -3.234 1.192 2.711 1.00 0.00 H new ATOM 913 N LYS A 197 0.801 1.239 5.917 1.00 0.00 N ATOM 914 CA LYS A 197 2.152 0.882 6.332 1.00 0.00 C ATOM 915 C LYS A 197 2.165 -0.470 7.040 1.00 0.00 C ATOM 916 O LYS A 197 1.251 -0.792 7.800 1.00 0.00 O ATOM 917 CB LYS A 197 2.726 1.959 7.256 1.00 0.00 C ATOM 918 CG LYS A 197 4.243 2.025 7.244 1.00 0.00 C ATOM 919 CD LYS A 197 4.766 3.014 8.272 1.00 0.00 C ATOM 920 CE LYS A 197 4.870 4.417 7.694 1.00 0.00 C ATOM 921 NZ LYS A 197 5.376 5.394 8.697 1.00 0.00 N ATOM 0 H LYS A 197 0.244 1.692 6.641 1.00 0.00 H new ATOM 0 HA LYS A 197 2.772 0.811 5.438 1.00 0.00 H new ATOM 0 HB2 LYS A 197 2.326 2.929 6.961 1.00 0.00 H new ATOM 0 HB3 LYS A 197 2.387 1.770 8.275 1.00 0.00 H new ATOM 0 HG2 LYS A 197 4.653 1.036 7.448 1.00 0.00 H new ATOM 0 HG3 LYS A 197 4.588 2.314 6.251 1.00 0.00 H new ATOM 0 HD2 LYS A 197 4.104 3.024 9.138 1.00 0.00 H new ATOM 0 HD3 LYS A 197 5.746 2.691 8.624 1.00 0.00 H new ATOM 0 HE2 LYS A 197 5.535 4.406 6.831 1.00 0.00 H new ATOM 0 HE3 LYS A 197 3.891 4.737 7.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 5.432 6.338 8.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 4.728 5.424 9.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 6.321 5.103 9.018 1.00 0.00 H new ATOM 935 N TYR A 198 3.206 -1.255 6.786 1.00 0.00 N ATOM 936 CA TYR A 198 3.336 -2.572 7.398 1.00 0.00 C ATOM 937 C TYR A 198 4.548 -2.624 8.324 1.00 0.00 C ATOM 938 O TYR A 198 5.334 -1.680 8.390 1.00 0.00 O ATOM 939 CB TYR A 198 3.458 -3.649 6.319 1.00 0.00 C ATOM 940 CG TYR A 198 2.125 -4.130 5.790 1.00 0.00 C ATOM 941 CD1 TYR A 198 1.272 -3.267 5.114 1.00 0.00 C ATOM 942 CD2 TYR A 198 1.720 -5.447 5.966 1.00 0.00 C ATOM 943 CE1 TYR A 198 0.053 -3.701 4.630 1.00 0.00 C ATOM 944 CE2 TYR A 198 0.504 -5.891 5.484 1.00 0.00 C ATOM 945 CZ TYR A 198 -0.326 -5.014 4.817 1.00 0.00 C ATOM 946 OH TYR A 198 -1.539 -5.451 4.335 1.00 0.00 O ATOM 0 H TYR A 198 3.972 -1.002 6.161 1.00 0.00 H new ATOM 0 HA TYR A 198 2.440 -2.760 7.990 1.00 0.00 H new ATOM 0 HB2 TYR A 198 4.048 -3.256 5.491 1.00 0.00 H new ATOM 0 HB3 TYR A 198 4.006 -4.499 6.726 1.00 0.00 H new ATOM 0 HD1 TYR A 198 1.567 -2.239 4.964 1.00 0.00 H new ATOM 0 HD2 TYR A 198 2.367 -6.136 6.489 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -0.599 -3.016 4.108 1.00 0.00 H new ATOM 0 HE2 TYR A 198 0.205 -6.919 5.628 1.00 0.00 H new ATOM 0 HH TYR A 198 -1.951 -6.056 4.987 1.00 0.00 H new ATOM 956 N SER A 199 4.691 -3.737 9.037 1.00 0.00 N ATOM 957 CA SER A 199 5.804 -3.913 9.963 1.00 0.00 C ATOM 958 C SER A 199 7.082 -4.279 9.212 1.00 0.00 C ATOM 959 O SER A 199 8.147 -3.718 9.467 1.00 0.00 O ATOM 960 CB SER A 199 5.475 -4.998 10.990 1.00 0.00 C ATOM 961 OG SER A 199 5.680 -6.292 10.449 1.00 0.00 O ATOM 0 H SER A 199 4.051 -4.530 8.991 1.00 0.00 H new ATOM 0 HA SER A 199 5.965 -2.968 10.482 1.00 0.00 H new ATOM 0 HB2 SER A 199 6.099 -4.867 11.874 1.00 0.00 H new ATOM 0 HB3 SER A 199 4.439 -4.895 11.313 1.00 0.00 H new ATOM 0 HG SER A 199 5.464 -6.967 11.126 1.00 0.00 H new ATOM 967 N SER A 200 6.965 -5.224 8.285 1.00 0.00 N ATOM 968 CA SER A 200 8.110 -5.669 7.499 1.00 0.00 C ATOM 969 C SER A 200 7.729 -5.838 6.031 1.00 0.00 C ATOM 970 O SER A 200 6.560 -6.036 5.700 1.00 0.00 O ATOM 971 CB SER A 200 8.654 -6.988 8.052 1.00 0.00 C ATOM 972 OG SER A 200 10.013 -7.169 7.695 1.00 0.00 O ATOM 0 H SER A 200 6.089 -5.696 8.060 1.00 0.00 H new ATOM 0 HA SER A 200 8.886 -4.907 7.569 1.00 0.00 H new ATOM 0 HB2 SER A 200 8.555 -6.999 9.137 1.00 0.00 H new ATOM 0 HB3 SER A 200 8.061 -7.819 7.670 1.00 0.00 H new ATOM 0 HG SER A 200 10.337 -8.018 8.062 1.00 0.00 H new ATOM 978 N HIS A 201 8.726 -5.757 5.155 1.00 0.00 N ATOM 979 CA HIS A 201 8.496 -5.902 3.722 1.00 0.00 C ATOM 980 C HIS A 201 7.725 -7.183 3.421 1.00 0.00 C ATOM 981 O HIS A 201 6.630 -7.143 2.861 1.00 0.00 O ATOM 982 CB HIS A 201 9.827 -5.905 2.969 1.00 0.00 C ATOM 983 CG HIS A 201 9.676 -5.770 1.485 1.00 0.00 C ATOM 984 ND1 HIS A 201 10.587 -5.103 0.693 1.00 0.00 N ATOM 985 CD2 HIS A 201 8.713 -6.223 0.648 1.00 0.00 C ATOM 986 CE1 HIS A 201 10.190 -5.150 -0.566 1.00 0.00 C ATOM 987 NE2 HIS A 201 9.055 -5.824 -0.621 1.00 0.00 N ATOM 0 H HIS A 201 9.699 -5.592 5.412 1.00 0.00 H new ATOM 0 HA HIS A 201 7.899 -5.054 3.388 1.00 0.00 H new ATOM 0 HB2 HIS A 201 10.446 -5.088 3.339 1.00 0.00 H new ATOM 0 HB3 HIS A 201 10.357 -6.831 3.189 1.00 0.00 H new ATOM 0 HD2 HIS A 201 7.838 -6.792 0.926 1.00 0.00 H new ATOM 0 HE1 HIS A 201 10.706 -4.712 -1.408 1.00 0.00 H new ATOM 0 HE2 HIS A 201 8.520 -6.017 -1.468 1.00 0.00 H new ATOM 995 N ALA A 202 8.305 -8.319 3.797 1.00 0.00 N ATOM 996 CA ALA A 202 7.672 -9.612 3.568 1.00 0.00 C ATOM 997 C ALA A 202 6.158 -9.518 3.730 1.00 0.00 C ATOM 998 O ALA A 202 5.410 -9.720 2.774 1.00 0.00 O ATOM 999 CB ALA A 202 8.242 -10.654 4.519 1.00 0.00 C ATOM 0 H ALA A 202 9.212 -8.370 4.261 1.00 0.00 H new ATOM 0 HA ALA A 202 7.884 -9.916 2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 202 7.760 -11.615 4.337 1.00 0.00 H new ATOM 0 HB2 ALA A 202 9.315 -10.749 4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 202 8.059 -10.346 5.548 1.00 0.00 H new ATOM 1005 N GLU A 203 5.715 -9.211 4.945 1.00 0.00 N ATOM 1006 CA GLU A 203 4.290 -9.093 5.231 1.00 0.00 C ATOM 1007 C GLU A 203 3.599 -8.211 4.194 1.00 0.00 C ATOM 1008 O GLU A 203 2.548 -8.568 3.663 1.00 0.00 O ATOM 1009 CB GLU A 203 4.074 -8.517 6.631 1.00 0.00 C ATOM 1010 CG GLU A 203 4.239 -9.540 7.743 1.00 0.00 C ATOM 1011 CD GLU A 203 5.580 -10.247 7.690 1.00 0.00 C ATOM 1012 OE1 GLU A 203 6.554 -9.716 8.264 1.00 0.00 O ATOM 1013 OE2 GLU A 203 5.654 -11.331 7.075 1.00 0.00 O ATOM 0 H GLU A 203 6.322 -9.040 5.747 1.00 0.00 H new ATOM 0 HA GLU A 203 3.852 -10.090 5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 203 4.779 -7.701 6.792 1.00 0.00 H new ATOM 0 HB3 GLU A 203 3.073 -8.089 6.688 1.00 0.00 H new ATOM 0 HG2 GLU A 203 4.132 -9.043 8.707 1.00 0.00 H new ATOM 0 HG3 GLU A 203 3.440 -10.278 7.674 1.00 0.00 H new ATOM 1020 N ALA A 204 4.198 -7.059 3.912 1.00 0.00 N ATOM 1021 CA ALA A 204 3.642 -6.127 2.939 1.00 0.00 C ATOM 1022 C ALA A 204 3.414 -6.809 1.594 1.00 0.00 C ATOM 1023 O ALA A 204 2.311 -6.775 1.050 1.00 0.00 O ATOM 1024 CB ALA A 204 4.560 -4.925 2.775 1.00 0.00 C ATOM 0 H ALA A 204 5.069 -6.749 4.344 1.00 0.00 H new ATOM 0 HA ALA A 204 2.677 -5.784 3.311 1.00 0.00 H new ATOM 0 HB1 ALA A 204 4.132 -4.237 2.045 1.00 0.00 H new ATOM 0 HB2 ALA A 204 4.668 -4.416 3.733 1.00 0.00 H new ATOM 0 HB3 ALA A 204 5.538 -5.259 2.429 1.00 0.00 H new ATOM 1030 N GLN A 205 4.465 -7.426 1.063 1.00 0.00 N ATOM 1031 CA GLN A 205 4.379 -8.114 -0.219 1.00 0.00 C ATOM 1032 C GLN A 205 3.178 -9.054 -0.253 1.00 0.00 C ATOM 1033 O GLN A 205 2.411 -9.063 -1.215 1.00 0.00 O ATOM 1034 CB GLN A 205 5.664 -8.899 -0.489 1.00 0.00 C ATOM 1035 CG GLN A 205 5.842 -9.292 -1.946 1.00 0.00 C ATOM 1036 CD GLN A 205 5.906 -8.092 -2.871 1.00 0.00 C ATOM 1037 OE1 GLN A 205 6.883 -7.343 -2.868 1.00 0.00 O ATOM 1038 NE2 GLN A 205 4.861 -7.903 -3.668 1.00 0.00 N ATOM 0 H GLN A 205 5.385 -7.463 1.501 1.00 0.00 H new ATOM 0 HA GLN A 205 4.251 -7.362 -0.998 1.00 0.00 H new ATOM 0 HB2 GLN A 205 6.519 -8.299 -0.176 1.00 0.00 H new ATOM 0 HB3 GLN A 205 5.665 -9.800 0.124 1.00 0.00 H new ATOM 0 HG2 GLN A 205 6.756 -9.876 -2.052 1.00 0.00 H new ATOM 0 HG3 GLN A 205 5.016 -9.935 -2.248 1.00 0.00 H new ATOM 0 HE21 GLN A 205 4.072 -8.549 -3.637 1.00 0.00 H new ATOM 0 HE22 GLN A 205 4.847 -7.112 -4.311 1.00 0.00 H new ATOM 1047 N ALA A 206 3.022 -9.845 0.804 1.00 0.00 N ATOM 1048 CA ALA A 206 1.914 -10.787 0.896 1.00 0.00 C ATOM 1049 C ALA A 206 0.575 -10.080 0.718 1.00 0.00 C ATOM 1050 O ALA A 206 -0.270 -10.519 -0.061 1.00 0.00 O ATOM 1051 CB ALA A 206 1.953 -11.519 2.230 1.00 0.00 C ATOM 0 H ALA A 206 3.649 -9.852 1.608 1.00 0.00 H new ATOM 0 HA ALA A 206 2.021 -11.514 0.091 1.00 0.00 H new ATOM 0 HB1 ALA A 206 1.120 -12.219 2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 206 2.892 -12.065 2.318 1.00 0.00 H new ATOM 0 HB3 ALA A 206 1.875 -10.798 3.043 1.00 0.00 H new ATOM 1057 N ALA A 207 0.389 -8.983 1.445 1.00 0.00 N ATOM 1058 CA ALA A 207 -0.847 -8.215 1.366 1.00 0.00 C ATOM 1059 C ALA A 207 -1.093 -7.716 -0.054 1.00 0.00 C ATOM 1060 O ALA A 207 -2.222 -7.746 -0.545 1.00 0.00 O ATOM 1061 CB ALA A 207 -0.804 -7.045 2.338 1.00 0.00 C ATOM 0 H ALA A 207 1.079 -8.606 2.095 1.00 0.00 H new ATOM 0 HA ALA A 207 -1.672 -8.872 1.641 1.00 0.00 H new ATOM 0 HB1 ALA A 207 -1.733 -6.480 2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 207 -0.683 -7.420 3.354 1.00 0.00 H new ATOM 0 HB3 ALA A 207 0.035 -6.395 2.089 1.00 0.00 H new ATOM 1067 N ILE A 208 -0.031 -7.258 -0.708 1.00 0.00 N ATOM 1068 CA ILE A 208 -0.133 -6.753 -2.071 1.00 0.00 C ATOM 1069 C ILE A 208 -0.681 -7.820 -3.013 1.00 0.00 C ATOM 1070 O ILE A 208 -1.825 -7.740 -3.459 1.00 0.00 O ATOM 1071 CB ILE A 208 1.233 -6.273 -2.597 1.00 0.00 C ATOM 1072 CG1 ILE A 208 1.678 -5.014 -1.851 1.00 0.00 C ATOM 1073 CG2 ILE A 208 1.161 -6.010 -4.094 1.00 0.00 C ATOM 1074 CD1 ILE A 208 3.162 -4.741 -1.956 1.00 0.00 C ATOM 0 H ILE A 208 0.910 -7.226 -0.316 1.00 0.00 H new ATOM 0 HA ILE A 208 -0.821 -5.908 -2.044 1.00 0.00 H new ATOM 0 HB ILE A 208 1.970 -7.057 -2.420 1.00 0.00 H new ATOM 0 HG12 ILE A 208 1.131 -4.157 -2.243 1.00 0.00 H new ATOM 0 HG13 ILE A 208 1.408 -5.110 -0.799 1.00 0.00 H new ATOM 0 HG21 ILE A 208 2.134 -5.671 -4.451 1.00 0.00 H new ATOM 0 HG22 ILE A 208 0.884 -6.928 -4.612 1.00 0.00 H new ATOM 0 HG23 ILE A 208 0.414 -5.242 -4.293 1.00 0.00 H new ATOM 0 HD11 ILE A 208 3.405 -3.833 -1.403 1.00 0.00 H new ATOM 0 HD12 ILE A 208 3.717 -5.580 -1.537 1.00 0.00 H new ATOM 0 HD13 ILE A 208 3.435 -4.612 -3.003 1.00 0.00 H new ATOM 1086 N ASN A 209 0.143 -8.820 -3.309 1.00 0.00 N ATOM 1087 CA ASN A 209 -0.261 -9.905 -4.197 1.00 0.00 C ATOM 1088 C ASN A 209 -1.569 -10.534 -3.728 1.00 0.00 C ATOM 1089 O ASN A 209 -2.434 -10.867 -4.537 1.00 0.00 O ATOM 1090 CB ASN A 209 0.835 -10.970 -4.264 1.00 0.00 C ATOM 1091 CG ASN A 209 0.441 -12.152 -5.129 1.00 0.00 C ATOM 1092 OD1 ASN A 209 0.500 -12.084 -6.357 1.00 0.00 O ATOM 1093 ND2 ASN A 209 0.035 -13.243 -4.490 1.00 0.00 N ATOM 0 H ASN A 209 1.093 -8.902 -2.948 1.00 0.00 H new ATOM 0 HA ASN A 209 -0.416 -9.489 -5.192 1.00 0.00 H new ATOM 0 HB2 ASN A 209 1.748 -10.523 -4.658 1.00 0.00 H new ATOM 0 HB3 ASN A 209 1.060 -11.320 -3.256 1.00 0.00 H new ATOM 0 HD21 ASN A 209 -0.244 -14.070 -5.019 1.00 0.00 H new ATOM 0 HD22 ASN A 209 0.002 -13.254 -3.471 1.00 0.00 H new ATOM 1100 N ALA A 210 -1.706 -10.692 -2.416 1.00 0.00 N ATOM 1101 CA ALA A 210 -2.909 -11.278 -1.838 1.00 0.00 C ATOM 1102 C ALA A 210 -4.150 -10.486 -2.235 1.00 0.00 C ATOM 1103 O ALA A 210 -5.194 -11.062 -2.545 1.00 0.00 O ATOM 1104 CB ALA A 210 -2.788 -11.348 -0.323 1.00 0.00 C ATOM 0 H ALA A 210 -0.998 -10.422 -1.733 1.00 0.00 H new ATOM 0 HA ALA A 210 -3.014 -12.290 -2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 210 -3.694 -11.788 0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 210 -1.929 -11.963 -0.055 1.00 0.00 H new ATOM 0 HB3 ALA A 210 -2.654 -10.343 0.078 1.00 0.00 H new ATOM 1110 N LEU A 211 -4.031 -9.163 -2.224 1.00 0.00 N ATOM 1111 CA LEU A 211 -5.144 -8.291 -2.582 1.00 0.00 C ATOM 1112 C LEU A 211 -4.987 -7.764 -4.005 1.00 0.00 C ATOM 1113 O LEU A 211 -5.741 -8.139 -4.903 1.00 0.00 O ATOM 1114 CB LEU A 211 -5.238 -7.122 -1.600 1.00 0.00 C ATOM 1115 CG LEU A 211 -5.257 -7.491 -0.117 1.00 0.00 C ATOM 1116 CD1 LEU A 211 -4.989 -6.264 0.742 1.00 0.00 C ATOM 1117 CD2 LEU A 211 -6.587 -8.127 0.259 1.00 0.00 C ATOM 0 H LEU A 211 -3.174 -8.670 -1.971 1.00 0.00 H new ATOM 0 HA LEU A 211 -6.063 -8.875 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -4.394 -6.456 -1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -6.142 -6.557 -1.825 1.00 0.00 H new ATOM 0 HG LEU A 211 -4.466 -8.218 0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -5.006 -6.546 1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -4.011 -5.852 0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -5.757 -5.514 0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -6.581 -8.383 1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -7.396 -7.424 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -6.738 -9.031 -0.332 1.00 0.00 H new ATOM 1129 N HIS A 212 -4.001 -6.895 -4.203 1.00 0.00 N ATOM 1130 CA HIS A 212 -3.743 -6.319 -5.518 1.00 0.00 C ATOM 1131 C HIS A 212 -3.707 -7.404 -6.589 1.00 0.00 C ATOM 1132 O HIS A 212 -3.066 -8.440 -6.416 1.00 0.00 O ATOM 1133 CB HIS A 212 -2.422 -5.549 -5.510 1.00 0.00 C ATOM 1134 CG HIS A 212 -1.878 -5.278 -6.879 1.00 0.00 C ATOM 1135 ND1 HIS A 212 -2.601 -4.634 -7.861 1.00 0.00 N ATOM 1136 CD2 HIS A 212 -0.675 -5.566 -7.427 1.00 0.00 C ATOM 1137 CE1 HIS A 212 -1.865 -4.539 -8.955 1.00 0.00 C ATOM 1138 NE2 HIS A 212 -0.692 -5.097 -8.717 1.00 0.00 N ATOM 0 H HIS A 212 -3.368 -6.574 -3.470 1.00 0.00 H new ATOM 0 HA HIS A 212 -4.555 -5.630 -5.752 1.00 0.00 H new ATOM 0 HB2 HIS A 212 -2.567 -4.601 -4.991 1.00 0.00 H new ATOM 0 HB3 HIS A 212 -1.685 -6.115 -4.940 1.00 0.00 H new ATOM 0 HD1 HIS A 212 -3.554 -4.286 -7.759 1.00 0.00 H new ATOM 0 HD2 HIS A 212 0.146 -6.071 -6.940 1.00 0.00 H new ATOM 0 HE1 HIS A 212 -2.171 -4.083 -9.885 1.00 0.00 H new ATOM 1146 N GLY A 213 -4.400 -7.159 -7.697 1.00 0.00 N ATOM 1147 CA GLY A 213 -4.434 -8.125 -8.779 1.00 0.00 C ATOM 1148 C GLY A 213 -5.302 -9.326 -8.457 1.00 0.00 C ATOM 1149 O GLY A 213 -5.452 -10.230 -9.279 1.00 0.00 O ATOM 0 H GLY A 213 -4.938 -6.309 -7.864 1.00 0.00 H new ATOM 0 HA2 GLY A 213 -4.808 -7.642 -9.682 1.00 0.00 H new ATOM 0 HA3 GLY A 213 -3.420 -8.461 -8.994 1.00 0.00 H new ATOM 1153 N SER A 214 -5.873 -9.337 -7.257 1.00 0.00 N ATOM 1154 CA SER A 214 -6.725 -10.439 -6.826 1.00 0.00 C ATOM 1155 C SER A 214 -8.196 -10.115 -7.069 1.00 0.00 C ATOM 1156 O SER A 214 -8.831 -10.692 -7.952 1.00 0.00 O ATOM 1157 CB SER A 214 -6.495 -10.740 -5.344 1.00 0.00 C ATOM 1158 OG SER A 214 -7.057 -11.990 -4.984 1.00 0.00 O ATOM 0 H SER A 214 -5.761 -8.595 -6.566 1.00 0.00 H new ATOM 0 HA SER A 214 -6.463 -11.319 -7.413 1.00 0.00 H new ATOM 0 HB2 SER A 214 -5.426 -10.744 -5.132 1.00 0.00 H new ATOM 0 HB3 SER A 214 -6.937 -9.950 -4.736 1.00 0.00 H new ATOM 0 HG SER A 214 -6.895 -12.160 -4.033 1.00 0.00 H new ATOM 1164 N GLN A 215 -8.730 -9.189 -6.280 1.00 0.00 N ATOM 1165 CA GLN A 215 -10.126 -8.788 -6.408 1.00 0.00 C ATOM 1166 C GLN A 215 -10.248 -7.485 -7.190 1.00 0.00 C ATOM 1167 O GLN A 215 -9.257 -6.950 -7.687 1.00 0.00 O ATOM 1168 CB GLN A 215 -10.762 -8.631 -5.026 1.00 0.00 C ATOM 1169 CG GLN A 215 -10.957 -9.947 -4.292 1.00 0.00 C ATOM 1170 CD GLN A 215 -11.701 -9.780 -2.982 1.00 0.00 C ATOM 1171 OE1 GLN A 215 -12.896 -10.065 -2.892 1.00 0.00 O ATOM 1172 NE2 GLN A 215 -10.996 -9.317 -1.956 1.00 0.00 N ATOM 0 H GLN A 215 -8.217 -8.702 -5.545 1.00 0.00 H new ATOM 0 HA GLN A 215 -10.654 -9.569 -6.955 1.00 0.00 H new ATOM 0 HB2 GLN A 215 -10.136 -7.976 -4.420 1.00 0.00 H new ATOM 0 HB3 GLN A 215 -11.728 -8.138 -5.134 1.00 0.00 H new ATOM 0 HG2 GLN A 215 -11.506 -10.638 -4.932 1.00 0.00 H new ATOM 0 HG3 GLN A 215 -9.984 -10.398 -4.098 1.00 0.00 H new ATOM 0 HE21 GLN A 215 -10.008 -9.094 -2.075 1.00 0.00 H new ATOM 0 HE22 GLN A 215 -11.443 -9.185 -1.049 1.00 0.00 H new ATOM 1181 N THR A 216 -11.472 -6.976 -7.295 1.00 0.00 N ATOM 1182 CA THR A 216 -11.725 -5.736 -8.017 1.00 0.00 C ATOM 1183 C THR A 216 -12.697 -4.843 -7.253 1.00 0.00 C ATOM 1184 O THR A 216 -13.886 -5.145 -7.156 1.00 0.00 O ATOM 1185 CB THR A 216 -12.293 -6.010 -9.422 1.00 0.00 C ATOM 1186 OG1 THR A 216 -11.434 -6.909 -10.131 1.00 0.00 O ATOM 1187 CG2 THR A 216 -12.441 -4.715 -10.208 1.00 0.00 C ATOM 0 H THR A 216 -12.304 -7.404 -6.889 1.00 0.00 H new ATOM 0 HA THR A 216 -10.767 -5.226 -8.114 1.00 0.00 H new ATOM 0 HB THR A 216 -13.278 -6.463 -9.310 1.00 0.00 H new ATOM 0 HG1 THR A 216 -11.803 -7.079 -11.023 1.00 0.00 H new ATOM 0 HG21 THR A 216 -12.844 -4.934 -11.197 1.00 0.00 H new ATOM 0 HG22 THR A 216 -13.119 -4.044 -9.680 1.00 0.00 H new ATOM 0 HG23 THR A 216 -11.466 -4.238 -10.311 1.00 0.00 H new ATOM 1195 N MET A 217 -12.183 -3.743 -6.713 1.00 0.00 N ATOM 1196 CA MET A 217 -13.007 -2.805 -5.960 1.00 0.00 C ATOM 1197 C MET A 217 -14.384 -2.657 -6.599 1.00 0.00 C ATOM 1198 O MET A 217 -14.579 -2.935 -7.782 1.00 0.00 O ATOM 1199 CB MET A 217 -12.320 -1.441 -5.878 1.00 0.00 C ATOM 1200 CG MET A 217 -11.243 -1.366 -4.807 1.00 0.00 C ATOM 1201 SD MET A 217 -11.918 -1.435 -3.137 1.00 0.00 S ATOM 1202 CE MET A 217 -11.169 -2.945 -2.531 1.00 0.00 C ATOM 0 H MET A 217 -11.200 -3.479 -6.783 1.00 0.00 H new ATOM 0 HA MET A 217 -13.134 -3.200 -4.952 1.00 0.00 H new ATOM 0 HB2 MET A 217 -11.875 -1.209 -6.846 1.00 0.00 H new ATOM 0 HB3 MET A 217 -13.071 -0.676 -5.680 1.00 0.00 H new ATOM 0 HG2 MET A 217 -10.541 -2.188 -4.945 1.00 0.00 H new ATOM 0 HG3 MET A 217 -10.679 -0.441 -4.929 1.00 0.00 H new ATOM 0 HE1 MET A 217 -10.768 -2.777 -1.531 1.00 0.00 H new ATOM 0 HE2 MET A 217 -11.920 -3.734 -2.493 1.00 0.00 H new ATOM 0 HE3 MET A 217 -10.362 -3.245 -3.200 1.00 0.00 H new ATOM 1212 N PRO A 218 -15.363 -2.208 -5.799 1.00 0.00 N ATOM 1213 CA PRO A 218 -16.739 -2.013 -6.266 1.00 0.00 C ATOM 1214 C PRO A 218 -16.869 -0.816 -7.201 1.00 0.00 C ATOM 1215 O PRO A 218 -16.802 0.334 -6.767 1.00 0.00 O ATOM 1216 CB PRO A 218 -17.521 -1.769 -4.973 1.00 0.00 C ATOM 1217 CG PRO A 218 -16.520 -1.203 -4.026 1.00 0.00 C ATOM 1218 CD PRO A 218 -15.203 -1.858 -4.378 1.00 0.00 C ATOM 0 HA PRO A 218 -17.098 -2.865 -6.843 1.00 0.00 H new ATOM 0 HB2 PRO A 218 -18.348 -1.078 -5.135 1.00 0.00 H new ATOM 0 HB3 PRO A 218 -17.950 -2.695 -4.589 1.00 0.00 H new ATOM 0 HG2 PRO A 218 -16.457 -0.119 -4.126 1.00 0.00 H new ATOM 0 HG3 PRO A 218 -16.797 -1.413 -2.993 1.00 0.00 H new ATOM 0 HD2 PRO A 218 -14.364 -1.180 -4.224 1.00 0.00 H new ATOM 0 HD3 PRO A 218 -15.017 -2.740 -3.766 1.00 0.00 H new ATOM 1226 N GLY A 219 -17.056 -1.093 -8.488 1.00 0.00 N ATOM 1227 CA GLY A 219 -17.193 -0.028 -9.464 1.00 0.00 C ATOM 1228 C GLY A 219 -16.113 -0.073 -10.526 1.00 0.00 C ATOM 1229 O GLY A 219 -16.402 0.017 -11.719 1.00 0.00 O ATOM 0 H GLY A 219 -17.115 -2.036 -8.872 1.00 0.00 H new ATOM 0 HA2 GLY A 219 -18.170 -0.100 -9.941 1.00 0.00 H new ATOM 0 HA3 GLY A 219 -17.157 0.935 -8.954 1.00 0.00 H new ATOM 1233 N ALA A 220 -14.864 -0.210 -10.093 1.00 0.00 N ATOM 1234 CA ALA A 220 -13.737 -0.267 -11.015 1.00 0.00 C ATOM 1235 C ALA A 220 -13.761 -1.554 -11.833 1.00 0.00 C ATOM 1236 O ALA A 220 -14.215 -2.594 -11.357 1.00 0.00 O ATOM 1237 CB ALA A 220 -12.425 -0.147 -10.254 1.00 0.00 C ATOM 0 H ALA A 220 -14.607 -0.284 -9.109 1.00 0.00 H new ATOM 0 HA ALA A 220 -13.822 0.573 -11.705 1.00 0.00 H new ATOM 0 HB1 ALA A 220 -11.592 -0.191 -10.956 1.00 0.00 H new ATOM 0 HB2 ALA A 220 -12.400 0.803 -9.720 1.00 0.00 H new ATOM 0 HB3 ALA A 220 -12.342 -0.967 -9.540 1.00 0.00 H new ATOM 1243 N SER A 221 -13.269 -1.476 -13.065 1.00 0.00 N ATOM 1244 CA SER A 221 -13.238 -2.634 -13.950 1.00 0.00 C ATOM 1245 C SER A 221 -11.909 -3.373 -13.832 1.00 0.00 C ATOM 1246 O SER A 221 -11.794 -4.534 -14.224 1.00 0.00 O ATOM 1247 CB SER A 221 -13.466 -2.201 -15.400 1.00 0.00 C ATOM 1248 OG SER A 221 -12.479 -1.273 -15.816 1.00 0.00 O ATOM 0 H SER A 221 -12.886 -0.623 -13.473 1.00 0.00 H new ATOM 0 HA SER A 221 -14.038 -3.311 -13.650 1.00 0.00 H new ATOM 0 HB2 SER A 221 -13.446 -3.075 -16.051 1.00 0.00 H new ATOM 0 HB3 SER A 221 -14.455 -1.753 -15.498 1.00 0.00 H new ATOM 0 HG SER A 221 -12.646 -1.013 -16.746 1.00 0.00 H new ATOM 1254 N SER A 222 -10.906 -2.691 -13.288 1.00 0.00 N ATOM 1255 CA SER A 222 -9.583 -3.280 -13.121 1.00 0.00 C ATOM 1256 C SER A 222 -9.378 -3.758 -11.686 1.00 0.00 C ATOM 1257 O SER A 222 -9.936 -3.191 -10.746 1.00 0.00 O ATOM 1258 CB SER A 222 -8.499 -2.266 -13.492 1.00 0.00 C ATOM 1259 OG SER A 222 -8.199 -2.324 -14.876 1.00 0.00 O ATOM 0 H SER A 222 -10.985 -1.730 -12.955 1.00 0.00 H new ATOM 0 HA SER A 222 -9.509 -4.140 -13.786 1.00 0.00 H new ATOM 0 HB2 SER A 222 -8.831 -1.261 -13.230 1.00 0.00 H new ATOM 0 HB3 SER A 222 -7.597 -2.464 -12.913 1.00 0.00 H new ATOM 0 HG SER A 222 -7.505 -1.665 -15.088 1.00 0.00 H new ATOM 1265 N SER A 223 -8.574 -4.804 -11.526 1.00 0.00 N ATOM 1266 CA SER A 223 -8.297 -5.361 -10.207 1.00 0.00 C ATOM 1267 C SER A 223 -7.654 -4.316 -9.300 1.00 0.00 C ATOM 1268 O SER A 223 -7.059 -3.348 -9.774 1.00 0.00 O ATOM 1269 CB SER A 223 -7.383 -6.581 -10.327 1.00 0.00 C ATOM 1270 OG SER A 223 -7.998 -7.607 -11.088 1.00 0.00 O ATOM 0 H SER A 223 -8.103 -5.283 -12.293 1.00 0.00 H new ATOM 0 HA SER A 223 -9.244 -5.668 -9.763 1.00 0.00 H new ATOM 0 HB2 SER A 223 -6.443 -6.290 -10.796 1.00 0.00 H new ATOM 0 HB3 SER A 223 -7.141 -6.957 -9.333 1.00 0.00 H new ATOM 0 HG SER A 223 -7.393 -8.375 -11.151 1.00 0.00 H new ATOM 1276 N LEU A 224 -7.779 -4.520 -7.993 1.00 0.00 N ATOM 1277 CA LEU A 224 -7.210 -3.597 -7.017 1.00 0.00 C ATOM 1278 C LEU A 224 -5.763 -3.261 -7.365 1.00 0.00 C ATOM 1279 O LEU A 224 -5.074 -4.041 -8.021 1.00 0.00 O ATOM 1280 CB LEU A 224 -7.282 -4.199 -5.613 1.00 0.00 C ATOM 1281 CG LEU A 224 -6.502 -3.462 -4.525 1.00 0.00 C ATOM 1282 CD1 LEU A 224 -7.244 -2.207 -4.093 1.00 0.00 C ATOM 1283 CD2 LEU A 224 -6.256 -4.375 -3.333 1.00 0.00 C ATOM 0 H LEU A 224 -8.269 -5.316 -7.585 1.00 0.00 H new ATOM 0 HA LEU A 224 -7.794 -2.677 -7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 224 -8.329 -4.246 -5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 224 -6.918 -5.225 -5.661 1.00 0.00 H new ATOM 0 HG LEU A 224 -5.537 -3.165 -4.935 1.00 0.00 H new ATOM 0 HD11 LEU A 224 -6.673 -1.696 -3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 224 -7.367 -1.544 -4.950 1.00 0.00 H new ATOM 0 HD13 LEU A 224 -8.224 -2.480 -3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 224 -5.699 -3.833 -2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 224 -7.211 -4.703 -2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 224 -5.681 -5.244 -3.653 1.00 0.00 H new ATOM 1295 N VAL A 225 -5.309 -2.094 -6.918 1.00 0.00 N ATOM 1296 CA VAL A 225 -3.943 -1.655 -7.179 1.00 0.00 C ATOM 1297 C VAL A 225 -3.221 -1.307 -5.882 1.00 0.00 C ATOM 1298 O VAL A 225 -3.542 -0.314 -5.228 1.00 0.00 O ATOM 1299 CB VAL A 225 -3.915 -0.432 -8.114 1.00 0.00 C ATOM 1300 CG1 VAL A 225 -2.483 -0.078 -8.488 1.00 0.00 C ATOM 1301 CG2 VAL A 225 -4.750 -0.694 -9.358 1.00 0.00 C ATOM 0 H VAL A 225 -5.867 -1.436 -6.374 1.00 0.00 H new ATOM 0 HA VAL A 225 -3.431 -2.485 -7.665 1.00 0.00 H new ATOM 0 HB VAL A 225 -4.348 0.418 -7.586 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -2.483 0.789 -9.149 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -1.918 0.154 -7.585 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -2.021 -0.923 -8.998 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -4.719 0.181 -10.008 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -4.349 -1.556 -9.891 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -5.781 -0.895 -9.068 1.00 0.00 H new ATOM 1311 N VAL A 226 -2.243 -2.129 -5.516 1.00 0.00 N ATOM 1312 CA VAL A 226 -1.473 -1.907 -4.297 1.00 0.00 C ATOM 1313 C VAL A 226 0.022 -2.043 -4.560 1.00 0.00 C ATOM 1314 O VAL A 226 0.549 -3.151 -4.662 1.00 0.00 O ATOM 1315 CB VAL A 226 -1.880 -2.896 -3.189 1.00 0.00 C ATOM 1316 CG1 VAL A 226 -1.232 -2.513 -1.867 1.00 0.00 C ATOM 1317 CG2 VAL A 226 -3.394 -2.951 -3.053 1.00 0.00 C ATOM 0 H VAL A 226 -1.965 -2.955 -6.046 1.00 0.00 H new ATOM 0 HA VAL A 226 -1.690 -0.892 -3.965 1.00 0.00 H new ATOM 0 HB VAL A 226 -1.527 -3.889 -3.466 1.00 0.00 H new ATOM 0 HG11 VAL A 226 -1.531 -3.223 -1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 226 -0.147 -2.530 -1.975 1.00 0.00 H new ATOM 0 HG13 VAL A 226 -1.552 -1.511 -1.581 1.00 0.00 H new ATOM 0 HG21 VAL A 226 -3.663 -3.655 -2.265 1.00 0.00 H new ATOM 0 HG22 VAL A 226 -3.773 -1.961 -2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 226 -3.832 -3.277 -3.996 1.00 0.00 H new ATOM 1327 N LYS A 227 0.703 -0.907 -4.669 1.00 0.00 N ATOM 1328 CA LYS A 227 2.140 -0.896 -4.918 1.00 0.00 C ATOM 1329 C LYS A 227 2.860 -0.003 -3.913 1.00 0.00 C ATOM 1330 O LYS A 227 2.284 0.954 -3.394 1.00 0.00 O ATOM 1331 CB LYS A 227 2.428 -0.415 -6.342 1.00 0.00 C ATOM 1332 CG LYS A 227 1.997 1.019 -6.598 1.00 0.00 C ATOM 1333 CD LYS A 227 1.706 1.259 -8.070 1.00 0.00 C ATOM 1334 CE LYS A 227 1.798 2.736 -8.423 1.00 0.00 C ATOM 1335 NZ LYS A 227 1.435 2.990 -9.845 1.00 0.00 N ATOM 0 H LYS A 227 0.282 0.019 -4.589 1.00 0.00 H new ATOM 0 HA LYS A 227 2.511 -1.914 -4.803 1.00 0.00 H new ATOM 0 HB2 LYS A 227 3.496 -0.505 -6.538 1.00 0.00 H new ATOM 0 HB3 LYS A 227 1.918 -1.070 -7.048 1.00 0.00 H new ATOM 0 HG2 LYS A 227 1.108 1.243 -6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 227 2.780 1.700 -6.265 1.00 0.00 H new ATOM 0 HD2 LYS A 227 2.412 0.694 -8.678 1.00 0.00 H new ATOM 0 HD3 LYS A 227 0.710 0.888 -8.310 1.00 0.00 H new ATOM 0 HE2 LYS A 227 1.136 3.307 -7.772 1.00 0.00 H new ATOM 0 HE3 LYS A 227 2.812 3.091 -8.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 227 1.510 4.008 -10.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 227 2.082 2.465 -10.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 227 0.459 2.675 -10.016 1.00 0.00 H new ATOM 1349 N PHE A 228 4.122 -0.320 -3.644 1.00 0.00 N ATOM 1350 CA PHE A 228 4.920 0.455 -2.701 1.00 0.00 C ATOM 1351 C PHE A 228 4.918 1.935 -3.074 1.00 0.00 C ATOM 1352 O PHE A 228 4.834 2.290 -4.249 1.00 0.00 O ATOM 1353 CB PHE A 228 6.357 -0.071 -2.665 1.00 0.00 C ATOM 1354 CG PHE A 228 6.447 -1.554 -2.447 1.00 0.00 C ATOM 1355 CD1 PHE A 228 6.381 -2.085 -1.169 1.00 0.00 C ATOM 1356 CD2 PHE A 228 6.599 -2.418 -3.520 1.00 0.00 C ATOM 1357 CE1 PHE A 228 6.464 -3.449 -0.964 1.00 0.00 C ATOM 1358 CE2 PHE A 228 6.681 -3.783 -3.321 1.00 0.00 C ATOM 1359 CZ PHE A 228 6.615 -4.299 -2.042 1.00 0.00 C ATOM 0 H PHE A 228 4.614 -1.108 -4.065 1.00 0.00 H new ATOM 0 HA PHE A 228 4.475 0.347 -1.712 1.00 0.00 H new ATOM 0 HB2 PHE A 228 6.851 0.181 -3.603 1.00 0.00 H new ATOM 0 HB3 PHE A 228 6.902 0.439 -1.871 1.00 0.00 H new ATOM 0 HD1 PHE A 228 6.263 -1.425 -0.323 1.00 0.00 H new ATOM 0 HD2 PHE A 228 6.654 -2.020 -4.523 1.00 0.00 H new ATOM 0 HE1 PHE A 228 6.411 -3.850 0.038 1.00 0.00 H new ATOM 0 HE2 PHE A 228 6.797 -4.446 -4.166 1.00 0.00 H new ATOM 0 HZ PHE A 228 6.681 -5.365 -1.885 1.00 0.00 H new