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 216 THR OG1 : rot 180:sc= -0.267 USER MOD Set 1.2: A 223 SER OG : rot -23:sc= 0.151 USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 MET CE :methyl -155:sc= -0.232 (180deg=-1.03) USER MOD Single : A 159 ASN : amide:sc= -3.79! C(o=-3.8!,f=-5!) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 GLN : amide:sc= -0.182 K(o=-0.18,f=-1.3) USER MOD Single : A 162 GLN : amide:sc= -0.653 K(o=-0.65,f=-4.8!) USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 176 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.31) USER MOD Single : A 180 CYS SG : rot 180:sc= 0 USER MOD Single : A 181 THR OG1 : rot 180:sc= 0 USER MOD Single : A 190 SER OG : rot -36:sc= 0.144 USER MOD Single : A 191 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0632) USER MOD Single : A 193 CYS SG : rot -88:sc= -1.26 USER MOD Single : A 197 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 198 TYR OH : rot 13:sc= -1.46 USER MOD Single : A 199 SER OG : rot 180:sc= 0 USER MOD Single : A 200 SER OG : rot 180:sc=-0.00747 USER MOD Single : A 201 HIS : no HD1:sc= -0.0173 X(o=-0.017,f=-0.36) USER MOD Single : A 205 GLN : amide:sc= -0.415 X(o=-0.42,f=-0.12) USER MOD Single : A 209 ASN : amide:sc= -0.187 K(o=-0.19,f=-0.89) USER MOD Single : A 212 HIS : no HE2:sc= -1.45! C(o=-1.4!,f=-11!) USER MOD Single : A 214 SER OG : rot 180:sc= 0 USER MOD Single : A 215 GLN : amide:sc= -0.554 K(o=-0.55,f=-1.3) USER MOD Single : A 217 MET CE :methyl -171:sc= 0 (180deg=-0.0413) 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 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 217 N LYS A 152 5.906 2.222 3.034 1.00 0.00 N ATOM 218 CA LYS A 152 4.531 2.639 2.786 1.00 0.00 C ATOM 219 C LYS A 152 3.962 1.936 1.558 1.00 0.00 C ATOM 220 O LYS A 152 4.701 1.565 0.645 1.00 0.00 O ATOM 221 CB LYS A 152 4.463 4.156 2.596 1.00 0.00 C ATOM 222 CG LYS A 152 3.068 4.729 2.773 1.00 0.00 C ATOM 223 CD LYS A 152 3.112 6.210 3.111 1.00 0.00 C ATOM 224 CE LYS A 152 3.418 7.053 1.882 1.00 0.00 C ATOM 225 NZ LYS A 152 2.974 8.464 2.052 1.00 0.00 N ATOM 0 HA LYS A 152 3.931 2.360 3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 152 5.136 4.633 3.308 1.00 0.00 H new ATOM 0 HB3 LYS A 152 4.825 4.405 1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 152 2.494 4.581 1.858 1.00 0.00 H new ATOM 0 HG3 LYS A 152 2.550 4.189 3.566 1.00 0.00 H new ATOM 0 HD2 LYS A 152 2.156 6.516 3.535 1.00 0.00 H new ATOM 0 HD3 LYS A 152 3.870 6.388 3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 152 4.490 7.031 1.684 1.00 0.00 H new ATOM 0 HE3 LYS A 152 2.924 6.619 1.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 3.200 9.005 1.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 1.947 8.488 2.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 3.464 8.886 2.866 1.00 0.00 H new ATOM 239 N LEU A 153 2.646 1.757 1.542 1.00 0.00 N ATOM 240 CA LEU A 153 1.978 1.099 0.424 1.00 0.00 C ATOM 241 C LEU A 153 0.898 1.998 -0.170 1.00 0.00 C ATOM 242 O LEU A 153 -0.013 2.439 0.531 1.00 0.00 O ATOM 243 CB LEU A 153 1.361 -0.224 0.880 1.00 0.00 C ATOM 244 CG LEU A 153 2.348 -1.324 1.275 1.00 0.00 C ATOM 245 CD1 LEU A 153 1.623 -2.467 1.968 1.00 0.00 C ATOM 246 CD2 LEU A 153 3.100 -1.829 0.053 1.00 0.00 C ATOM 0 H LEU A 153 2.021 2.058 2.290 1.00 0.00 H new ATOM 0 HA LEU A 153 2.723 0.899 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 153 0.711 -0.024 1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 153 0.728 -0.602 0.077 1.00 0.00 H new ATOM 0 HG LEU A 153 3.072 -0.904 1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 153 2.341 -3.240 2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 153 1.131 -2.094 2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 153 0.877 -2.887 1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 153 3.798 -2.611 0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 153 2.391 -2.233 -0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 153 3.651 -1.006 -0.401 1.00 0.00 H new ATOM 258 N PHE A 154 1.006 2.265 -1.467 1.00 0.00 N ATOM 259 CA PHE A 154 0.038 3.110 -2.157 1.00 0.00 C ATOM 260 C PHE A 154 -1.096 2.274 -2.743 1.00 0.00 C ATOM 261 O PHE A 154 -0.875 1.431 -3.613 1.00 0.00 O ATOM 262 CB PHE A 154 0.725 3.907 -3.267 1.00 0.00 C ATOM 263 CG PHE A 154 -0.234 4.517 -4.249 1.00 0.00 C ATOM 264 CD1 PHE A 154 -1.065 5.559 -3.870 1.00 0.00 C ATOM 265 CD2 PHE A 154 -0.305 4.049 -5.551 1.00 0.00 C ATOM 266 CE1 PHE A 154 -1.949 6.121 -4.772 1.00 0.00 C ATOM 267 CE2 PHE A 154 -1.187 4.607 -6.457 1.00 0.00 C ATOM 268 CZ PHE A 154 -2.009 5.646 -6.067 1.00 0.00 C ATOM 0 H PHE A 154 1.754 1.909 -2.062 1.00 0.00 H new ATOM 0 HA PHE A 154 -0.385 3.803 -1.429 1.00 0.00 H new ATOM 0 HB2 PHE A 154 1.324 4.699 -2.817 1.00 0.00 H new ATOM 0 HB3 PHE A 154 1.412 3.252 -3.802 1.00 0.00 H new ATOM 0 HD1 PHE A 154 -1.022 5.936 -2.859 1.00 0.00 H new ATOM 0 HD2 PHE A 154 0.337 3.238 -5.862 1.00 0.00 H new ATOM 0 HE1 PHE A 154 -2.593 6.932 -4.464 1.00 0.00 H new ATOM 0 HE2 PHE A 154 -1.233 4.231 -7.468 1.00 0.00 H new ATOM 0 HZ PHE A 154 -2.697 6.086 -6.773 1.00 0.00 H new ATOM 278 N VAL A 155 -2.310 2.512 -2.258 1.00 0.00 N ATOM 279 CA VAL A 155 -3.479 1.781 -2.733 1.00 0.00 C ATOM 280 C VAL A 155 -4.407 2.689 -3.533 1.00 0.00 C ATOM 281 O VAL A 155 -4.728 3.797 -3.106 1.00 0.00 O ATOM 282 CB VAL A 155 -4.268 1.163 -1.563 1.00 0.00 C ATOM 283 CG1 VAL A 155 -5.404 0.295 -2.084 1.00 0.00 C ATOM 284 CG2 VAL A 155 -3.342 0.359 -0.663 1.00 0.00 C ATOM 0 H VAL A 155 -2.510 3.205 -1.537 1.00 0.00 H new ATOM 0 HA VAL A 155 -3.112 0.982 -3.377 1.00 0.00 H new ATOM 0 HB VAL A 155 -4.701 1.970 -0.973 1.00 0.00 H new ATOM 0 HG11 VAL A 155 -5.950 -0.133 -1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 155 -6.081 0.903 -2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 155 -4.996 -0.508 -2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 155 -3.916 -0.071 0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 155 -2.879 -0.442 -1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 155 -2.567 1.012 -0.262 1.00 0.00 H new ATOM 294 N GLY A 156 -4.835 2.210 -4.697 1.00 0.00 N ATOM 295 CA GLY A 156 -5.722 2.991 -5.539 1.00 0.00 C ATOM 296 C GLY A 156 -6.925 2.196 -6.008 1.00 0.00 C ATOM 297 O GLY A 156 -7.289 1.191 -5.398 1.00 0.00 O ATOM 0 H GLY A 156 -4.583 1.295 -5.072 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -6.062 3.868 -4.988 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -5.169 3.354 -6.406 1.00 0.00 H new ATOM 301 N MET A 157 -7.544 2.648 -7.093 1.00 0.00 N ATOM 302 CA MET A 157 -8.714 1.972 -7.643 1.00 0.00 C ATOM 303 C MET A 157 -9.701 1.609 -6.538 1.00 0.00 C ATOM 304 O MET A 157 -10.405 0.602 -6.627 1.00 0.00 O ATOM 305 CB MET A 157 -8.292 0.711 -8.400 1.00 0.00 C ATOM 306 CG MET A 157 -8.005 0.954 -9.873 1.00 0.00 C ATOM 307 SD MET A 157 -6.780 2.250 -10.138 1.00 0.00 S ATOM 308 CE MET A 157 -6.147 1.793 -11.750 1.00 0.00 C ATOM 0 H MET A 157 -7.256 3.479 -7.609 1.00 0.00 H new ATOM 0 HA MET A 157 -9.206 2.655 -8.335 1.00 0.00 H new ATOM 0 HB2 MET A 157 -7.402 0.295 -7.929 1.00 0.00 H new ATOM 0 HB3 MET A 157 -9.079 -0.037 -8.310 1.00 0.00 H new ATOM 0 HG2 MET A 157 -7.653 0.028 -10.328 1.00 0.00 H new ATOM 0 HG3 MET A 157 -8.931 1.226 -10.379 1.00 0.00 H new ATOM 0 HE1 MET A 157 -5.135 2.180 -11.866 1.00 0.00 H new ATOM 0 HE2 MET A 157 -6.133 0.707 -11.841 1.00 0.00 H new ATOM 0 HE3 MET A 157 -6.788 2.214 -12.525 1.00 0.00 H new ATOM 318 N LEU A 158 -9.748 2.435 -5.498 1.00 0.00 N ATOM 319 CA LEU A 158 -10.649 2.200 -4.375 1.00 0.00 C ATOM 320 C LEU A 158 -12.033 2.775 -4.659 1.00 0.00 C ATOM 321 O LEU A 158 -12.292 3.287 -5.747 1.00 0.00 O ATOM 322 CB LEU A 158 -10.078 2.821 -3.099 1.00 0.00 C ATOM 323 CG LEU A 158 -8.848 2.131 -2.510 1.00 0.00 C ATOM 324 CD1 LEU A 158 -8.217 2.996 -1.429 1.00 0.00 C ATOM 325 CD2 LEU A 158 -9.219 0.764 -1.952 1.00 0.00 C ATOM 0 H LEU A 158 -9.173 3.273 -5.409 1.00 0.00 H new ATOM 0 HA LEU A 158 -10.744 1.123 -4.236 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -9.822 3.860 -3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -10.862 2.831 -2.342 1.00 0.00 H new ATOM 0 HG LEU A 158 -8.118 1.990 -3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -7.343 2.489 -1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -7.915 3.951 -1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -8.941 3.169 -0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -8.331 0.287 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -9.968 0.882 -1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -9.624 0.143 -2.751 1.00 0.00 H new ATOM 337 N ASN A 159 -12.918 2.688 -3.671 1.00 0.00 N ATOM 338 CA ASN A 159 -14.276 3.202 -3.814 1.00 0.00 C ATOM 339 C ASN A 159 -14.620 4.154 -2.673 1.00 0.00 C ATOM 340 O ASN A 159 -14.042 4.076 -1.589 1.00 0.00 O ATOM 341 CB ASN A 159 -15.279 2.047 -3.849 1.00 0.00 C ATOM 342 CG ASN A 159 -14.818 0.855 -3.032 1.00 0.00 C ATOM 343 OD1 ASN A 159 -13.686 0.393 -3.173 1.00 0.00 O ATOM 344 ND2 ASN A 159 -15.696 0.353 -2.172 1.00 0.00 N ATOM 0 H ASN A 159 -12.720 2.267 -2.763 1.00 0.00 H new ATOM 0 HA ASN A 159 -14.333 3.753 -4.753 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -16.241 2.393 -3.471 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -15.436 1.737 -4.882 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -15.443 -0.449 -1.594 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -16.624 0.769 -2.089 1.00 0.00 H new ATOM 351 N LYS A 160 -15.565 5.053 -2.925 1.00 0.00 N ATOM 352 CA LYS A 160 -15.989 6.021 -1.920 1.00 0.00 C ATOM 353 C LYS A 160 -16.979 5.393 -0.944 1.00 0.00 C ATOM 354 O LYS A 160 -17.974 6.014 -0.571 1.00 0.00 O ATOM 355 CB LYS A 160 -16.624 7.241 -2.592 1.00 0.00 C ATOM 356 CG LYS A 160 -15.761 7.852 -3.683 1.00 0.00 C ATOM 357 CD LYS A 160 -16.586 8.696 -4.639 1.00 0.00 C ATOM 358 CE LYS A 160 -15.778 9.102 -5.863 1.00 0.00 C ATOM 359 NZ LYS A 160 -16.627 9.759 -6.895 1.00 0.00 N ATOM 0 H LYS A 160 -16.052 5.132 -3.818 1.00 0.00 H new ATOM 0 HA LYS A 160 -15.107 6.339 -1.363 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -17.584 6.951 -3.019 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -16.827 7.998 -1.834 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -14.983 8.468 -3.231 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -15.258 7.059 -4.237 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -17.467 8.136 -4.953 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -16.942 9.588 -4.124 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -14.980 9.781 -5.563 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -15.301 8.221 -6.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -16.040 10.020 -7.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -17.373 9.102 -7.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -17.062 10.614 -6.494 1.00 0.00 H new ATOM 373 N GLN A 161 -16.698 4.160 -0.534 1.00 0.00 N ATOM 374 CA GLN A 161 -17.564 3.450 0.399 1.00 0.00 C ATOM 375 C GLN A 161 -16.755 2.850 1.544 1.00 0.00 C ATOM 376 O GLN A 161 -17.157 2.921 2.705 1.00 0.00 O ATOM 377 CB GLN A 161 -18.337 2.348 -0.327 1.00 0.00 C ATOM 378 CG GLN A 161 -19.643 2.825 -0.943 1.00 0.00 C ATOM 379 CD GLN A 161 -19.432 3.616 -2.219 1.00 0.00 C ATOM 380 OE1 GLN A 161 -18.620 3.243 -3.067 1.00 0.00 O ATOM 381 NE2 GLN A 161 -20.163 4.715 -2.363 1.00 0.00 N ATOM 0 H GLN A 161 -15.878 3.633 -0.833 1.00 0.00 H new ATOM 0 HA GLN A 161 -18.272 4.167 0.815 1.00 0.00 H new ATOM 0 HB2 GLN A 161 -17.706 1.930 -1.112 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -18.549 1.542 0.375 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -20.276 1.964 -1.155 1.00 0.00 H new ATOM 0 HG3 GLN A 161 -20.176 3.443 -0.221 1.00 0.00 H new ATOM 0 HE21 GLN A 161 -20.824 4.987 -1.635 1.00 0.00 H new ATOM 0 HE22 GLN A 161 -20.064 5.287 -3.201 1.00 0.00 H new ATOM 390 N GLN A 162 -15.613 2.258 1.208 1.00 0.00 N ATOM 391 CA GLN A 162 -14.748 1.644 2.209 1.00 0.00 C ATOM 392 C GLN A 162 -14.407 2.636 3.316 1.00 0.00 C ATOM 393 O GLN A 162 -14.556 3.846 3.146 1.00 0.00 O ATOM 394 CB GLN A 162 -13.464 1.129 1.556 1.00 0.00 C ATOM 395 CG GLN A 162 -13.700 0.033 0.530 1.00 0.00 C ATOM 396 CD GLN A 162 -14.015 -1.306 1.169 1.00 0.00 C ATOM 397 OE1 GLN A 162 -14.719 -1.375 2.177 1.00 0.00 O ATOM 398 NE2 GLN A 162 -13.496 -2.378 0.583 1.00 0.00 N ATOM 0 H GLN A 162 -15.266 2.191 0.251 1.00 0.00 H new ATOM 0 HA GLN A 162 -15.285 0.805 2.651 1.00 0.00 H new ATOM 0 HB2 GLN A 162 -12.952 1.962 1.074 1.00 0.00 H new ATOM 0 HB3 GLN A 162 -12.798 0.751 2.332 1.00 0.00 H new ATOM 0 HG2 GLN A 162 -14.524 0.323 -0.123 1.00 0.00 H new ATOM 0 HG3 GLN A 162 -12.815 -0.068 -0.099 1.00 0.00 H new ATOM 0 HE21 GLN A 162 -12.918 -2.274 -0.251 1.00 0.00 H new ATOM 0 HE22 GLN A 162 -13.675 -3.306 0.967 1.00 0.00 H new ATOM 407 N SER A 163 -13.949 2.116 4.450 1.00 0.00 N ATOM 408 CA SER A 163 -13.592 2.956 5.587 1.00 0.00 C ATOM 409 C SER A 163 -12.268 2.507 6.198 1.00 0.00 C ATOM 410 O SER A 163 -11.774 1.419 5.904 1.00 0.00 O ATOM 411 CB SER A 163 -14.695 2.914 6.646 1.00 0.00 C ATOM 412 OG SER A 163 -15.826 3.662 6.233 1.00 0.00 O ATOM 0 H SER A 163 -13.816 1.117 4.606 1.00 0.00 H new ATOM 0 HA SER A 163 -13.480 3.980 5.230 1.00 0.00 H new ATOM 0 HB2 SER A 163 -14.987 1.880 6.831 1.00 0.00 H new ATOM 0 HB3 SER A 163 -14.316 3.312 7.587 1.00 0.00 H new ATOM 0 HG SER A 163 -16.518 3.618 6.926 1.00 0.00 H new ATOM 418 N GLU A 164 -11.699 3.354 7.050 1.00 0.00 N ATOM 419 CA GLU A 164 -10.432 3.045 7.703 1.00 0.00 C ATOM 420 C GLU A 164 -10.464 1.650 8.320 1.00 0.00 C ATOM 421 O GLU A 164 -9.488 0.904 8.243 1.00 0.00 O ATOM 422 CB GLU A 164 -10.121 4.086 8.781 1.00 0.00 C ATOM 423 CG GLU A 164 -9.837 5.471 8.226 1.00 0.00 C ATOM 424 CD GLU A 164 -11.099 6.285 8.015 1.00 0.00 C ATOM 425 OE1 GLU A 164 -11.588 6.885 8.995 1.00 0.00 O ATOM 426 OE2 GLU A 164 -11.597 6.323 6.871 1.00 0.00 O ATOM 0 H GLU A 164 -12.095 4.259 7.304 1.00 0.00 H new ATOM 0 HA GLU A 164 -9.647 3.071 6.947 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -10.963 4.146 9.470 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -9.259 3.752 9.359 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -9.176 6.004 8.909 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -9.307 5.377 7.278 1.00 0.00 H new ATOM 433 N ASP A 165 -11.591 1.307 8.933 1.00 0.00 N ATOM 434 CA ASP A 165 -11.752 0.002 9.564 1.00 0.00 C ATOM 435 C ASP A 165 -11.712 -1.113 8.524 1.00 0.00 C ATOM 436 O ASP A 165 -11.003 -2.106 8.690 1.00 0.00 O ATOM 437 CB ASP A 165 -13.068 -0.055 10.340 1.00 0.00 C ATOM 438 CG ASP A 165 -12.962 0.591 11.708 1.00 0.00 C ATOM 439 OD1 ASP A 165 -12.342 -0.018 12.605 1.00 0.00 O ATOM 440 OD2 ASP A 165 -13.498 1.705 11.881 1.00 0.00 O ATOM 0 H ASP A 165 -12.407 1.914 9.007 1.00 0.00 H new ATOM 0 HA ASP A 165 -10.924 -0.143 10.258 1.00 0.00 H new ATOM 0 HB2 ASP A 165 -13.848 0.445 9.765 1.00 0.00 H new ATOM 0 HB3 ASP A 165 -13.374 -1.095 10.455 1.00 0.00 H new ATOM 445 N ASP A 166 -12.478 -0.943 7.452 1.00 0.00 N ATOM 446 CA ASP A 166 -12.531 -1.935 6.384 1.00 0.00 C ATOM 447 C ASP A 166 -11.133 -2.234 5.852 1.00 0.00 C ATOM 448 O ASP A 166 -10.693 -3.384 5.846 1.00 0.00 O ATOM 449 CB ASP A 166 -13.429 -1.445 5.248 1.00 0.00 C ATOM 450 CG ASP A 166 -14.842 -1.148 5.713 1.00 0.00 C ATOM 451 OD1 ASP A 166 -15.482 -2.058 6.280 1.00 0.00 O ATOM 452 OD2 ASP A 166 -15.306 -0.007 5.510 1.00 0.00 O ATOM 0 H ASP A 166 -13.071 -0.127 7.299 1.00 0.00 H new ATOM 0 HA ASP A 166 -12.948 -2.854 6.795 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -12.997 -0.545 4.810 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -13.459 -2.199 4.462 1.00 0.00 H new ATOM 457 N VAL A 167 -10.441 -1.192 5.403 1.00 0.00 N ATOM 458 CA VAL A 167 -9.093 -1.343 4.868 1.00 0.00 C ATOM 459 C VAL A 167 -8.112 -1.761 5.958 1.00 0.00 C ATOM 460 O VAL A 167 -7.240 -2.601 5.734 1.00 0.00 O ATOM 461 CB VAL A 167 -8.597 -0.037 4.219 1.00 0.00 C ATOM 462 CG1 VAL A 167 -7.115 -0.134 3.888 1.00 0.00 C ATOM 463 CG2 VAL A 167 -9.410 0.281 2.974 1.00 0.00 C ATOM 0 H VAL A 167 -10.792 -0.234 5.399 1.00 0.00 H new ATOM 0 HA VAL A 167 -9.140 -2.123 4.108 1.00 0.00 H new ATOM 0 HB VAL A 167 -8.733 0.777 4.931 1.00 0.00 H new ATOM 0 HG11 VAL A 167 -6.783 0.798 3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 167 -6.549 -0.311 4.802 1.00 0.00 H new ATOM 0 HG13 VAL A 167 -6.950 -0.958 3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 167 -9.046 1.207 2.528 1.00 0.00 H new ATOM 0 HG22 VAL A 167 -9.308 -0.532 2.255 1.00 0.00 H new ATOM 0 HG23 VAL A 167 -10.460 0.397 3.245 1.00 0.00 H new ATOM 473 N ARG A 168 -8.262 -1.170 7.139 1.00 0.00 N ATOM 474 CA ARG A 168 -7.388 -1.480 8.264 1.00 0.00 C ATOM 475 C ARG A 168 -7.408 -2.974 8.572 1.00 0.00 C ATOM 476 O ARG A 168 -6.366 -3.629 8.583 1.00 0.00 O ATOM 477 CB ARG A 168 -7.815 -0.688 9.502 1.00 0.00 C ATOM 478 CG ARG A 168 -7.062 -1.077 10.763 1.00 0.00 C ATOM 479 CD ARG A 168 -5.765 -0.296 10.901 1.00 0.00 C ATOM 480 NE ARG A 168 -4.901 -0.849 11.940 1.00 0.00 N ATOM 481 CZ ARG A 168 -3.735 -0.314 12.288 1.00 0.00 C ATOM 482 NH1 ARG A 168 -3.298 0.782 11.684 1.00 0.00 N ATOM 483 NH2 ARG A 168 -3.005 -0.876 13.243 1.00 0.00 N ATOM 0 H ARG A 168 -8.980 -0.474 7.341 1.00 0.00 H new ATOM 0 HA ARG A 168 -6.372 -1.196 7.991 1.00 0.00 H new ATOM 0 HB2 ARG A 168 -7.665 0.375 9.313 1.00 0.00 H new ATOM 0 HB3 ARG A 168 -8.882 -0.835 9.666 1.00 0.00 H new ATOM 0 HG2 ARG A 168 -7.691 -0.896 11.634 1.00 0.00 H new ATOM 0 HG3 ARG A 168 -6.845 -2.145 10.743 1.00 0.00 H new ATOM 0 HD2 ARG A 168 -5.235 -0.302 9.948 1.00 0.00 H new ATOM 0 HD3 ARG A 168 -5.991 0.745 11.134 1.00 0.00 H new ATOM 0 HE ARG A 168 -5.209 -1.692 12.425 1.00 0.00 H new ATOM 0 HH11 ARG A 168 -3.857 1.217 10.950 1.00 0.00 H new ATOM 0 HH12 ARG A 168 -2.403 1.190 11.953 1.00 0.00 H new ATOM 0 HH21 ARG A 168 -3.339 -1.719 13.710 1.00 0.00 H new ATOM 0 HH22 ARG A 168 -2.110 -0.465 13.510 1.00 0.00 H new ATOM 497 N ARG A 169 -8.600 -3.507 8.821 1.00 0.00 N ATOM 498 CA ARG A 169 -8.755 -4.923 9.130 1.00 0.00 C ATOM 499 C ARG A 169 -8.324 -5.788 7.949 1.00 0.00 C ATOM 500 O ARG A 169 -7.479 -6.673 8.089 1.00 0.00 O ATOM 501 CB ARG A 169 -10.208 -5.231 9.498 1.00 0.00 C ATOM 502 CG ARG A 169 -10.610 -4.718 10.871 1.00 0.00 C ATOM 503 CD ARG A 169 -9.856 -5.439 11.977 1.00 0.00 C ATOM 504 NE ARG A 169 -10.609 -5.461 13.228 1.00 0.00 N ATOM 505 CZ ARG A 169 -11.715 -6.174 13.408 1.00 0.00 C ATOM 506 NH1 ARG A 169 -12.194 -6.920 12.422 1.00 0.00 N ATOM 507 NH2 ARG A 169 -12.344 -6.142 14.576 1.00 0.00 N ATOM 0 H ARG A 169 -9.473 -2.979 8.815 1.00 0.00 H new ATOM 0 HA ARG A 169 -8.115 -5.155 9.981 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -10.865 -4.791 8.748 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -10.362 -6.309 9.463 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -10.413 -3.648 10.933 1.00 0.00 H new ATOM 0 HG3 ARG A 169 -11.682 -4.854 11.012 1.00 0.00 H new ATOM 0 HD2 ARG A 169 -9.643 -6.461 11.664 1.00 0.00 H new ATOM 0 HD3 ARG A 169 -8.896 -4.949 12.140 1.00 0.00 H new ATOM 0 HE ARG A 169 -10.267 -4.898 14.006 1.00 0.00 H new ATOM 0 HH11 ARG A 169 -11.713 -6.947 11.523 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -13.044 -7.467 12.563 1.00 0.00 H new ATOM 0 HH21 ARG A 169 -11.978 -5.569 15.337 1.00 0.00 H new ATOM 0 HH22 ARG A 169 -13.193 -6.690 14.713 1.00 0.00 H new ATOM 521 N LEU A 170 -8.911 -5.526 6.786 1.00 0.00 N ATOM 522 CA LEU A 170 -8.588 -6.280 5.579 1.00 0.00 C ATOM 523 C LEU A 170 -7.081 -6.476 5.446 1.00 0.00 C ATOM 524 O LEU A 170 -6.583 -7.600 5.506 1.00 0.00 O ATOM 525 CB LEU A 170 -9.132 -5.561 4.344 1.00 0.00 C ATOM 526 CG LEU A 170 -9.301 -6.417 3.089 1.00 0.00 C ATOM 527 CD1 LEU A 170 -10.556 -7.270 3.189 1.00 0.00 C ATOM 528 CD2 LEU A 170 -9.348 -5.540 1.846 1.00 0.00 C ATOM 0 H LEU A 170 -9.613 -4.798 6.653 1.00 0.00 H new ATOM 0 HA LEU A 170 -9.057 -7.261 5.656 1.00 0.00 H new ATOM 0 HB2 LEU A 170 -10.100 -5.128 4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 170 -8.464 -4.733 4.107 1.00 0.00 H new ATOM 0 HG LEU A 170 -8.440 -7.081 3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 170 -10.659 -7.872 2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 170 -10.482 -7.926 4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 170 -11.427 -6.624 3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 170 -9.469 -6.167 0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 170 -10.189 -4.850 1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 170 -8.420 -4.974 1.765 1.00 0.00 H new ATOM 540 N PHE A 171 -6.360 -5.374 5.268 1.00 0.00 N ATOM 541 CA PHE A 171 -4.910 -5.424 5.127 1.00 0.00 C ATOM 542 C PHE A 171 -4.280 -6.224 6.265 1.00 0.00 C ATOM 543 O PHE A 171 -3.755 -7.316 6.052 1.00 0.00 O ATOM 544 CB PHE A 171 -4.329 -4.009 5.102 1.00 0.00 C ATOM 545 CG PHE A 171 -4.431 -3.343 3.759 1.00 0.00 C ATOM 546 CD1 PHE A 171 -5.661 -3.191 3.139 1.00 0.00 C ATOM 547 CD2 PHE A 171 -3.298 -2.870 3.118 1.00 0.00 C ATOM 548 CE1 PHE A 171 -5.757 -2.579 1.903 1.00 0.00 C ATOM 549 CE2 PHE A 171 -3.388 -2.257 1.882 1.00 0.00 C ATOM 550 CZ PHE A 171 -4.619 -2.111 1.275 1.00 0.00 C ATOM 0 H PHE A 171 -6.756 -4.436 5.218 1.00 0.00 H new ATOM 0 HA PHE A 171 -4.679 -5.921 4.185 1.00 0.00 H new ATOM 0 HB2 PHE A 171 -4.847 -3.399 5.842 1.00 0.00 H new ATOM 0 HB3 PHE A 171 -3.281 -4.050 5.400 1.00 0.00 H new ATOM 0 HD1 PHE A 171 -6.554 -3.554 3.626 1.00 0.00 H new ATOM 0 HD2 PHE A 171 -2.333 -2.981 3.589 1.00 0.00 H new ATOM 0 HE1 PHE A 171 -6.721 -2.467 1.429 1.00 0.00 H new ATOM 0 HE2 PHE A 171 -2.497 -1.893 1.392 1.00 0.00 H new ATOM 0 HZ PHE A 171 -4.692 -1.631 0.310 1.00 0.00 H new ATOM 560 N GLU A 172 -4.338 -5.670 7.472 1.00 0.00 N ATOM 561 CA GLU A 172 -3.773 -6.331 8.643 1.00 0.00 C ATOM 562 C GLU A 172 -4.181 -7.800 8.688 1.00 0.00 C ATOM 563 O GLU A 172 -3.479 -8.633 9.261 1.00 0.00 O ATOM 564 CB GLU A 172 -4.225 -5.625 9.922 1.00 0.00 C ATOM 565 CG GLU A 172 -5.515 -6.182 10.501 1.00 0.00 C ATOM 566 CD GLU A 172 -5.863 -5.572 11.846 1.00 0.00 C ATOM 567 OE1 GLU A 172 -5.589 -4.370 12.041 1.00 0.00 O ATOM 568 OE2 GLU A 172 -6.409 -6.298 12.702 1.00 0.00 O ATOM 0 H GLU A 172 -4.770 -4.766 7.665 1.00 0.00 H new ATOM 0 HA GLU A 172 -2.687 -6.276 8.571 1.00 0.00 H new ATOM 0 HB2 GLU A 172 -3.436 -5.706 10.670 1.00 0.00 H new ATOM 0 HB3 GLU A 172 -4.359 -4.564 9.713 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -6.331 -6.000 9.802 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -5.423 -7.263 10.609 1.00 0.00 H new ATOM 575 N ALA A 173 -5.321 -8.111 8.080 1.00 0.00 N ATOM 576 CA ALA A 173 -5.822 -9.479 8.049 1.00 0.00 C ATOM 577 C ALA A 173 -4.732 -10.454 7.615 1.00 0.00 C ATOM 578 O ALA A 173 -4.814 -11.652 7.884 1.00 0.00 O ATOM 579 CB ALA A 173 -7.024 -9.580 7.120 1.00 0.00 C ATOM 0 H ALA A 173 -5.915 -7.433 7.602 1.00 0.00 H new ATOM 0 HA ALA A 173 -6.133 -9.749 9.058 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -7.388 -10.607 7.106 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -7.815 -8.919 7.475 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -6.731 -9.286 6.112 1.00 0.00 H new ATOM 585 N PHE A 174 -3.713 -9.932 6.941 1.00 0.00 N ATOM 586 CA PHE A 174 -2.607 -10.757 6.468 1.00 0.00 C ATOM 587 C PHE A 174 -1.309 -10.384 7.177 1.00 0.00 C ATOM 588 O PHE A 174 -0.697 -11.212 7.851 1.00 0.00 O ATOM 589 CB PHE A 174 -2.438 -10.601 4.955 1.00 0.00 C ATOM 590 CG PHE A 174 -3.655 -11.000 4.171 1.00 0.00 C ATOM 591 CD1 PHE A 174 -4.719 -10.124 4.024 1.00 0.00 C ATOM 592 CD2 PHE A 174 -3.737 -12.251 3.582 1.00 0.00 C ATOM 593 CE1 PHE A 174 -5.841 -10.488 3.303 1.00 0.00 C ATOM 594 CE2 PHE A 174 -4.856 -12.621 2.860 1.00 0.00 C ATOM 595 CZ PHE A 174 -5.909 -11.738 2.721 1.00 0.00 C ATOM 0 H PHE A 174 -3.630 -8.942 6.710 1.00 0.00 H new ATOM 0 HA PHE A 174 -2.839 -11.797 6.696 1.00 0.00 H new ATOM 0 HB2 PHE A 174 -2.195 -9.563 4.730 1.00 0.00 H new ATOM 0 HB3 PHE A 174 -1.591 -11.204 4.628 1.00 0.00 H new ATOM 0 HD1 PHE A 174 -4.671 -9.145 4.478 1.00 0.00 H new ATOM 0 HD2 PHE A 174 -2.917 -12.946 3.688 1.00 0.00 H new ATOM 0 HE1 PHE A 174 -6.663 -9.796 3.195 1.00 0.00 H new ATOM 0 HE2 PHE A 174 -4.907 -13.599 2.405 1.00 0.00 H new ATOM 0 HZ PHE A 174 -6.785 -12.025 2.158 1.00 0.00 H new ATOM 605 N GLY A 175 -0.893 -9.131 7.019 1.00 0.00 N ATOM 606 CA GLY A 175 0.330 -8.670 7.649 1.00 0.00 C ATOM 607 C GLY A 175 0.109 -7.449 8.520 1.00 0.00 C ATOM 608 O GLY A 175 -0.561 -6.501 8.113 1.00 0.00 O ATOM 0 H GLY A 175 -1.382 -8.427 6.466 1.00 0.00 H new ATOM 0 HA2 GLY A 175 0.748 -9.474 8.255 1.00 0.00 H new ATOM 0 HA3 GLY A 175 1.065 -8.435 6.879 1.00 0.00 H new ATOM 612 N ASN A 176 0.674 -7.472 9.723 1.00 0.00 N ATOM 613 CA ASN A 176 0.533 -6.358 10.654 1.00 0.00 C ATOM 614 C ASN A 176 0.644 -5.022 9.926 1.00 0.00 C ATOM 615 O ASN A 176 1.144 -4.956 8.803 1.00 0.00 O ATOM 616 CB ASN A 176 1.599 -6.445 11.749 1.00 0.00 C ATOM 617 CG ASN A 176 1.230 -5.639 12.980 1.00 0.00 C ATOM 618 OD1 ASN A 176 1.639 -4.487 13.126 1.00 0.00 O ATOM 619 ND2 ASN A 176 0.453 -6.243 13.871 1.00 0.00 N ATOM 0 H ASN A 176 1.233 -8.249 10.076 1.00 0.00 H new ATOM 0 HA ASN A 176 -0.455 -6.421 11.110 1.00 0.00 H new ATOM 0 HB2 ASN A 176 1.743 -7.488 12.031 1.00 0.00 H new ATOM 0 HB3 ASN A 176 2.550 -6.087 11.355 1.00 0.00 H new ATOM 0 HD21 ASN A 176 0.171 -5.751 14.719 1.00 0.00 H new ATOM 0 HD22 ASN A 176 0.138 -7.199 13.708 1.00 0.00 H new ATOM 626 N ILE A 177 0.174 -3.961 10.573 1.00 0.00 N ATOM 627 CA ILE A 177 0.221 -2.627 9.988 1.00 0.00 C ATOM 628 C ILE A 177 0.798 -1.616 10.973 1.00 0.00 C ATOM 629 O ILE A 177 0.451 -1.616 12.153 1.00 0.00 O ATOM 630 CB ILE A 177 -1.177 -2.156 9.546 1.00 0.00 C ATOM 631 CG1 ILE A 177 -1.757 -3.117 8.506 1.00 0.00 C ATOM 632 CG2 ILE A 177 -1.107 -0.743 8.988 1.00 0.00 C ATOM 633 CD1 ILE A 177 -3.067 -2.647 7.914 1.00 0.00 C ATOM 0 H ILE A 177 -0.244 -3.999 11.503 1.00 0.00 H new ATOM 0 HA ILE A 177 0.868 -2.689 9.113 1.00 0.00 H new ATOM 0 HB ILE A 177 -1.835 -2.151 10.415 1.00 0.00 H new ATOM 0 HG12 ILE A 177 -1.032 -3.251 7.703 1.00 0.00 H new ATOM 0 HG13 ILE A 177 -1.906 -4.093 8.968 1.00 0.00 H new ATOM 0 HG21 ILE A 177 -2.103 -0.424 8.680 1.00 0.00 H new ATOM 0 HG22 ILE A 177 -0.731 -0.067 9.756 1.00 0.00 H new ATOM 0 HG23 ILE A 177 -0.438 -0.724 8.128 1.00 0.00 H new ATOM 0 HD11 ILE A 177 -3.419 -3.377 7.185 1.00 0.00 H new ATOM 0 HD12 ILE A 177 -3.807 -2.540 8.707 1.00 0.00 H new ATOM 0 HD13 ILE A 177 -2.920 -1.685 7.423 1.00 0.00 H new ATOM 645 N GLU A 178 1.680 -0.753 10.478 1.00 0.00 N ATOM 646 CA GLU A 178 2.304 0.265 11.314 1.00 0.00 C ATOM 647 C GLU A 178 1.381 1.467 11.489 1.00 0.00 C ATOM 648 O GLU A 178 1.164 1.939 12.604 1.00 0.00 O ATOM 649 CB GLU A 178 3.634 0.714 10.704 1.00 0.00 C ATOM 650 CG GLU A 178 4.821 -0.124 11.148 1.00 0.00 C ATOM 651 CD GLU A 178 5.028 -0.092 12.650 1.00 0.00 C ATOM 652 OE1 GLU A 178 4.306 -0.819 13.364 1.00 0.00 O ATOM 653 OE2 GLU A 178 5.912 0.660 13.111 1.00 0.00 O ATOM 0 H GLU A 178 1.978 -0.739 9.503 1.00 0.00 H new ATOM 0 HA GLU A 178 2.492 -0.173 12.294 1.00 0.00 H new ATOM 0 HB2 GLU A 178 3.558 0.674 9.617 1.00 0.00 H new ATOM 0 HB3 GLU A 178 3.814 1.755 10.972 1.00 0.00 H new ATOM 0 HG2 GLU A 178 4.673 -1.155 10.827 1.00 0.00 H new ATOM 0 HG3 GLU A 178 5.722 0.238 10.653 1.00 0.00 H new ATOM 660 N GLU A 179 0.841 1.958 10.377 1.00 0.00 N ATOM 661 CA GLU A 179 -0.058 3.106 10.407 1.00 0.00 C ATOM 662 C GLU A 179 -0.982 3.105 9.193 1.00 0.00 C ATOM 663 O GLU A 179 -0.625 2.598 8.128 1.00 0.00 O ATOM 664 CB GLU A 179 0.744 4.408 10.451 1.00 0.00 C ATOM 665 CG GLU A 179 1.055 4.884 11.861 1.00 0.00 C ATOM 666 CD GLU A 179 -0.193 5.237 12.646 1.00 0.00 C ATOM 667 OE1 GLU A 179 -1.225 5.546 12.012 1.00 0.00 O ATOM 668 OE2 GLU A 179 -0.139 5.206 13.893 1.00 0.00 O ATOM 0 H GLU A 179 1.010 1.579 9.445 1.00 0.00 H new ATOM 0 HA GLU A 179 -0.669 3.034 11.307 1.00 0.00 H new ATOM 0 HB2 GLU A 179 1.679 4.267 9.909 1.00 0.00 H new ATOM 0 HB3 GLU A 179 0.187 5.186 9.928 1.00 0.00 H new ATOM 0 HG2 GLU A 179 1.605 4.106 12.390 1.00 0.00 H new ATOM 0 HG3 GLU A 179 1.707 5.756 11.811 1.00 0.00 H new ATOM 675 N CYS A 180 -2.169 3.676 9.361 1.00 0.00 N ATOM 676 CA CYS A 180 -3.146 3.740 8.279 1.00 0.00 C ATOM 677 C CYS A 180 -3.667 5.163 8.101 1.00 0.00 C ATOM 678 O CYS A 180 -3.980 5.848 9.076 1.00 0.00 O ATOM 679 CB CYS A 180 -4.311 2.789 8.558 1.00 0.00 C ATOM 680 SG CYS A 180 -5.531 2.706 7.226 1.00 0.00 S ATOM 0 H CYS A 180 -2.479 4.101 10.235 1.00 0.00 H new ATOM 0 HA CYS A 180 -2.651 3.435 7.357 1.00 0.00 H new ATOM 0 HB2 CYS A 180 -3.915 1.789 8.737 1.00 0.00 H new ATOM 0 HB3 CYS A 180 -4.810 3.102 9.475 1.00 0.00 H new ATOM 0 HG CYS A 180 -6.475 1.875 7.554 1.00 0.00 H new ATOM 686 N THR A 181 -3.757 5.602 6.850 1.00 0.00 N ATOM 687 CA THR A 181 -4.237 6.944 6.544 1.00 0.00 C ATOM 688 C THR A 181 -4.973 6.974 5.209 1.00 0.00 C ATOM 689 O THR A 181 -4.501 6.417 4.217 1.00 0.00 O ATOM 690 CB THR A 181 -3.079 7.959 6.502 1.00 0.00 C ATOM 691 OG1 THR A 181 -2.404 7.985 7.764 1.00 0.00 O ATOM 692 CG2 THR A 181 -3.592 9.352 6.167 1.00 0.00 C ATOM 0 H THR A 181 -3.504 5.048 6.032 1.00 0.00 H new ATOM 0 HA THR A 181 -4.926 7.223 7.342 1.00 0.00 H new ATOM 0 HB THR A 181 -2.382 7.649 5.724 1.00 0.00 H new ATOM 0 HG1 THR A 181 -1.668 8.631 7.728 1.00 0.00 H new ATOM 0 HG21 THR A 181 -2.756 10.051 6.143 1.00 0.00 H new ATOM 0 HG22 THR A 181 -4.079 9.336 5.192 1.00 0.00 H new ATOM 0 HG23 THR A 181 -4.308 9.668 6.925 1.00 0.00 H new ATOM 700 N ILE A 182 -6.129 7.627 5.190 1.00 0.00 N ATOM 701 CA ILE A 182 -6.929 7.730 3.976 1.00 0.00 C ATOM 702 C ILE A 182 -6.636 9.030 3.234 1.00 0.00 C ATOM 703 O ILE A 182 -6.489 10.088 3.847 1.00 0.00 O ATOM 704 CB ILE A 182 -8.435 7.657 4.285 1.00 0.00 C ATOM 705 CG1 ILE A 182 -8.768 6.349 5.005 1.00 0.00 C ATOM 706 CG2 ILE A 182 -9.246 7.784 3.004 1.00 0.00 C ATOM 707 CD1 ILE A 182 -8.488 5.115 4.176 1.00 0.00 C ATOM 0 H ILE A 182 -6.533 8.093 6.002 1.00 0.00 H new ATOM 0 HA ILE A 182 -6.655 6.884 3.346 1.00 0.00 H new ATOM 0 HB ILE A 182 -8.696 8.487 4.941 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -8.191 6.295 5.928 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -9.821 6.357 5.287 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -10.309 7.730 3.239 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -9.027 8.740 2.528 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -8.983 6.973 2.325 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -8.747 4.225 4.749 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -9.085 5.146 3.264 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -7.430 5.084 3.916 1.00 0.00 H new ATOM 719 N LEU A 183 -6.554 8.944 1.911 1.00 0.00 N ATOM 720 CA LEU A 183 -6.281 10.114 1.083 1.00 0.00 C ATOM 721 C LEU A 183 -7.577 10.735 0.572 1.00 0.00 C ATOM 722 O LEU A 183 -8.333 10.099 -0.162 1.00 0.00 O ATOM 723 CB LEU A 183 -5.386 9.731 -0.096 1.00 0.00 C ATOM 724 CG LEU A 183 -3.952 9.327 0.252 1.00 0.00 C ATOM 725 CD1 LEU A 183 -3.326 8.543 -0.891 1.00 0.00 C ATOM 726 CD2 LEU A 183 -3.117 10.556 0.579 1.00 0.00 C ATOM 0 H LEU A 183 -6.673 8.076 1.388 1.00 0.00 H new ATOM 0 HA LEU A 183 -5.765 10.851 1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -5.856 8.904 -0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -5.347 10.574 -0.786 1.00 0.00 H new ATOM 0 HG LEU A 183 -3.979 8.686 1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -2.306 8.264 -0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -3.911 7.643 -1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -3.311 9.159 -1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -2.100 10.250 0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -3.098 11.223 -0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -3.554 11.077 1.431 1.00 0.00 H new ATOM 816 N SER A 190 -12.840 11.457 -0.823 1.00 0.00 N ATOM 817 CA SER A 190 -12.023 10.257 -0.955 1.00 0.00 C ATOM 818 C SER A 190 -11.689 9.985 -2.419 1.00 0.00 C ATOM 819 O SER A 190 -12.536 9.533 -3.188 1.00 0.00 O ATOM 820 CB SER A 190 -12.749 9.052 -0.354 1.00 0.00 C ATOM 821 OG SER A 190 -14.047 8.911 -0.906 1.00 0.00 O ATOM 0 HA SER A 190 -11.092 10.420 -0.412 1.00 0.00 H new ATOM 0 HB2 SER A 190 -12.171 8.146 -0.539 1.00 0.00 H new ATOM 0 HB3 SER A 190 -12.821 9.169 0.727 1.00 0.00 H new ATOM 0 HG SER A 190 -14.430 9.798 -1.073 1.00 0.00 H new ATOM 827 N LYS A 191 -10.446 10.265 -2.797 1.00 0.00 N ATOM 828 CA LYS A 191 -9.996 10.051 -4.167 1.00 0.00 C ATOM 829 C LYS A 191 -9.648 8.585 -4.403 1.00 0.00 C ATOM 830 O LYS A 191 -8.633 8.270 -5.023 1.00 0.00 O ATOM 831 CB LYS A 191 -8.780 10.930 -4.469 1.00 0.00 C ATOM 832 CG LYS A 191 -9.081 12.418 -4.433 1.00 0.00 C ATOM 833 CD LYS A 191 -9.932 12.844 -5.618 1.00 0.00 C ATOM 834 CE LYS A 191 -9.890 14.351 -5.821 1.00 0.00 C ATOM 835 NZ LYS A 191 -8.595 14.796 -6.406 1.00 0.00 N ATOM 0 H LYS A 191 -9.732 10.641 -2.173 1.00 0.00 H new ATOM 0 HA LYS A 191 -10.811 10.325 -4.837 1.00 0.00 H new ATOM 0 HB2 LYS A 191 -7.994 10.709 -3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 191 -8.390 10.670 -5.453 1.00 0.00 H new ATOM 0 HG2 LYS A 191 -9.599 12.663 -3.506 1.00 0.00 H new ATOM 0 HG3 LYS A 191 -8.147 12.979 -4.435 1.00 0.00 H new ATOM 0 HD2 LYS A 191 -9.578 12.344 -6.520 1.00 0.00 H new ATOM 0 HD3 LYS A 191 -10.962 12.526 -5.461 1.00 0.00 H new ATOM 0 HE2 LYS A 191 -10.707 14.652 -6.477 1.00 0.00 H new ATOM 0 HE3 LYS A 191 -10.048 14.851 -4.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 191 -8.671 15.790 -6.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 191 -7.842 14.702 -5.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 191 -8.366 14.206 -7.232 1.00 0.00 H new ATOM 849 N GLY A 192 -10.498 7.692 -3.905 1.00 0.00 N ATOM 850 CA GLY A 192 -10.263 6.270 -4.073 1.00 0.00 C ATOM 851 C GLY A 192 -8.798 5.904 -3.935 1.00 0.00 C ATOM 852 O GLY A 192 -8.240 5.215 -4.790 1.00 0.00 O ATOM 0 H GLY A 192 -11.345 7.928 -3.388 1.00 0.00 H new ATOM 0 HA2 GLY A 192 -10.843 5.719 -3.333 1.00 0.00 H new ATOM 0 HA3 GLY A 192 -10.621 5.959 -5.054 1.00 0.00 H new ATOM 856 N CYS A 193 -8.174 6.366 -2.857 1.00 0.00 N ATOM 857 CA CYS A 193 -6.764 6.085 -2.612 1.00 0.00 C ATOM 858 C CYS A 193 -6.422 6.271 -1.137 1.00 0.00 C ATOM 859 O CYS A 193 -7.053 7.063 -0.438 1.00 0.00 O ATOM 860 CB CYS A 193 -5.884 6.995 -3.470 1.00 0.00 C ATOM 861 SG CYS A 193 -6.305 8.750 -3.358 1.00 0.00 S ATOM 0 H CYS A 193 -8.622 6.936 -2.139 1.00 0.00 H new ATOM 0 HA CYS A 193 -6.573 5.047 -2.883 1.00 0.00 H new ATOM 0 HB2 CYS A 193 -4.844 6.862 -3.172 1.00 0.00 H new ATOM 0 HB3 CYS A 193 -5.960 6.680 -4.511 1.00 0.00 H new ATOM 0 HG CYS A 193 -7.215 9.035 -4.242 1.00 0.00 H new ATOM 867 N ALA A 194 -5.419 5.534 -0.670 1.00 0.00 N ATOM 868 CA ALA A 194 -4.993 5.617 0.721 1.00 0.00 C ATOM 869 C ALA A 194 -3.575 5.083 0.894 1.00 0.00 C ATOM 870 O ALA A 194 -3.021 4.459 -0.011 1.00 0.00 O ATOM 871 CB ALA A 194 -5.959 4.855 1.616 1.00 0.00 C ATOM 0 H ALA A 194 -4.887 4.873 -1.235 1.00 0.00 H new ATOM 0 HA ALA A 194 -4.996 6.667 1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 194 -5.628 4.926 2.652 1.00 0.00 H new ATOM 0 HB2 ALA A 194 -6.957 5.285 1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 194 -5.986 3.808 1.314 1.00 0.00 H new ATOM 877 N PHE A 195 -2.992 5.333 2.062 1.00 0.00 N ATOM 878 CA PHE A 195 -1.637 4.878 2.352 1.00 0.00 C ATOM 879 C PHE A 195 -1.623 3.949 3.563 1.00 0.00 C ATOM 880 O PHE A 195 -2.269 4.220 4.575 1.00 0.00 O ATOM 881 CB PHE A 195 -0.718 6.075 2.603 1.00 0.00 C ATOM 882 CG PHE A 195 -0.327 6.803 1.349 1.00 0.00 C ATOM 883 CD1 PHE A 195 0.402 6.164 0.359 1.00 0.00 C ATOM 884 CD2 PHE A 195 -0.688 8.128 1.160 1.00 0.00 C ATOM 885 CE1 PHE A 195 0.763 6.832 -0.795 1.00 0.00 C ATOM 886 CE2 PHE A 195 -0.330 8.801 0.008 1.00 0.00 C ATOM 887 CZ PHE A 195 0.396 8.152 -0.972 1.00 0.00 C ATOM 0 H PHE A 195 -3.436 5.848 2.822 1.00 0.00 H new ATOM 0 HA PHE A 195 -1.273 4.324 1.487 1.00 0.00 H new ATOM 0 HB2 PHE A 195 -1.217 6.771 3.277 1.00 0.00 H new ATOM 0 HB3 PHE A 195 0.183 5.731 3.110 1.00 0.00 H new ATOM 0 HD1 PHE A 195 0.691 5.132 0.491 1.00 0.00 H new ATOM 0 HD2 PHE A 195 -1.256 8.640 1.923 1.00 0.00 H new ATOM 0 HE1 PHE A 195 1.332 6.322 -1.559 1.00 0.00 H new ATOM 0 HE2 PHE A 195 -0.617 9.833 -0.126 1.00 0.00 H new ATOM 0 HZ PHE A 195 0.676 8.675 -1.874 1.00 0.00 H new ATOM 897 N VAL A 196 -0.882 2.851 3.450 1.00 0.00 N ATOM 898 CA VAL A 196 -0.783 1.881 4.535 1.00 0.00 C ATOM 899 C VAL A 196 0.658 1.424 4.733 1.00 0.00 C ATOM 900 O VAL A 196 1.406 1.257 3.770 1.00 0.00 O ATOM 901 CB VAL A 196 -1.669 0.650 4.269 1.00 0.00 C ATOM 902 CG1 VAL A 196 -1.614 -0.312 5.447 1.00 0.00 C ATOM 903 CG2 VAL A 196 -3.101 1.075 3.984 1.00 0.00 C ATOM 0 H VAL A 196 -0.342 2.611 2.619 1.00 0.00 H new ATOM 0 HA VAL A 196 -1.130 2.380 5.440 1.00 0.00 H new ATOM 0 HB VAL A 196 -1.287 0.132 3.389 1.00 0.00 H new ATOM 0 HG11 VAL A 196 -2.246 -1.176 5.241 1.00 0.00 H new ATOM 0 HG12 VAL A 196 -0.586 -0.642 5.599 1.00 0.00 H new ATOM 0 HG13 VAL A 196 -1.970 0.192 6.345 1.00 0.00 H new ATOM 0 HG21 VAL A 196 -3.713 0.192 3.798 1.00 0.00 H new ATOM 0 HG22 VAL A 196 -3.497 1.617 4.843 1.00 0.00 H new ATOM 0 HG23 VAL A 196 -3.121 1.721 3.106 1.00 0.00 H new ATOM 913 N LYS A 197 1.041 1.223 5.989 1.00 0.00 N ATOM 914 CA LYS A 197 2.393 0.783 6.316 1.00 0.00 C ATOM 915 C LYS A 197 2.371 -0.582 6.996 1.00 0.00 C ATOM 916 O LYS A 197 1.381 -0.957 7.624 1.00 0.00 O ATOM 917 CB LYS A 197 3.078 1.806 7.224 1.00 0.00 C ATOM 918 CG LYS A 197 3.285 3.160 6.567 1.00 0.00 C ATOM 919 CD LYS A 197 3.295 4.282 7.593 1.00 0.00 C ATOM 920 CE LYS A 197 3.690 5.609 6.963 1.00 0.00 C ATOM 921 NZ LYS A 197 2.516 6.320 6.385 1.00 0.00 N ATOM 0 H LYS A 197 0.434 1.358 6.798 1.00 0.00 H new ATOM 0 HA LYS A 197 2.956 0.697 5.386 1.00 0.00 H new ATOM 0 HB2 LYS A 197 2.480 1.937 8.126 1.00 0.00 H new ATOM 0 HB3 LYS A 197 4.045 1.412 7.537 1.00 0.00 H new ATOM 0 HG2 LYS A 197 4.227 3.159 6.018 1.00 0.00 H new ATOM 0 HG3 LYS A 197 2.493 3.338 5.840 1.00 0.00 H new ATOM 0 HD2 LYS A 197 2.307 4.372 8.045 1.00 0.00 H new ATOM 0 HD3 LYS A 197 3.991 4.037 8.395 1.00 0.00 H new ATOM 0 HE2 LYS A 197 4.163 6.241 7.714 1.00 0.00 H new ATOM 0 HE3 LYS A 197 4.430 5.434 6.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 2.827 7.219 5.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 2.079 5.728 5.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 1.821 6.510 7.135 1.00 0.00 H new ATOM 935 N TYR A 198 3.468 -1.319 6.868 1.00 0.00 N ATOM 936 CA TYR A 198 3.574 -2.643 7.469 1.00 0.00 C ATOM 937 C TYR A 198 4.793 -2.730 8.383 1.00 0.00 C ATOM 938 O TYR A 198 5.608 -1.809 8.439 1.00 0.00 O ATOM 939 CB TYR A 198 3.661 -3.715 6.382 1.00 0.00 C ATOM 940 CG TYR A 198 2.313 -4.162 5.862 1.00 0.00 C ATOM 941 CD1 TYR A 198 1.488 -3.285 5.168 1.00 0.00 C ATOM 942 CD2 TYR A 198 1.865 -5.461 6.065 1.00 0.00 C ATOM 943 CE1 TYR A 198 0.256 -3.689 4.693 1.00 0.00 C ATOM 944 CE2 TYR A 198 0.634 -5.874 5.592 1.00 0.00 C ATOM 945 CZ TYR A 198 -0.167 -4.984 4.907 1.00 0.00 C ATOM 946 OH TYR A 198 -1.394 -5.391 4.434 1.00 0.00 O ATOM 0 H TYR A 198 4.297 -1.022 6.353 1.00 0.00 H new ATOM 0 HA TYR A 198 2.680 -2.815 8.068 1.00 0.00 H new ATOM 0 HB2 TYR A 198 4.252 -3.330 5.551 1.00 0.00 H new ATOM 0 HB3 TYR A 198 4.193 -4.580 6.778 1.00 0.00 H new ATOM 0 HD1 TYR A 198 1.816 -2.270 4.997 1.00 0.00 H new ATOM 0 HD2 TYR A 198 2.489 -6.160 6.602 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -0.373 -2.994 4.157 1.00 0.00 H new ATOM 0 HE2 TYR A 198 0.301 -6.888 5.758 1.00 0.00 H new ATOM 0 HH TYR A 198 -1.740 -4.724 3.805 1.00 0.00 H new ATOM 956 N SER A 199 4.910 -3.845 9.098 1.00 0.00 N ATOM 957 CA SER A 199 6.026 -4.053 10.012 1.00 0.00 C ATOM 958 C SER A 199 7.251 -4.573 9.265 1.00 0.00 C ATOM 959 O SER A 199 8.387 -4.264 9.622 1.00 0.00 O ATOM 960 CB SER A 199 5.632 -5.035 11.117 1.00 0.00 C ATOM 961 OG SER A 199 5.206 -6.272 10.571 1.00 0.00 O ATOM 0 H SER A 199 4.245 -4.618 9.061 1.00 0.00 H new ATOM 0 HA SER A 199 6.278 -3.093 10.463 1.00 0.00 H new ATOM 0 HB2 SER A 199 6.480 -5.200 11.781 1.00 0.00 H new ATOM 0 HB3 SER A 199 4.833 -4.606 11.721 1.00 0.00 H new ATOM 0 HG SER A 199 4.961 -6.883 11.297 1.00 0.00 H new ATOM 967 N SER A 200 7.009 -5.367 8.227 1.00 0.00 N ATOM 968 CA SER A 200 8.091 -5.935 7.431 1.00 0.00 C ATOM 969 C SER A 200 7.722 -5.958 5.951 1.00 0.00 C ATOM 970 O SER A 200 6.556 -5.796 5.587 1.00 0.00 O ATOM 971 CB SER A 200 8.415 -7.351 7.909 1.00 0.00 C ATOM 972 OG SER A 200 9.623 -7.819 7.335 1.00 0.00 O ATOM 0 H SER A 200 6.074 -5.632 7.918 1.00 0.00 H new ATOM 0 HA SER A 200 8.972 -5.306 7.559 1.00 0.00 H new ATOM 0 HB2 SER A 200 8.497 -7.361 8.996 1.00 0.00 H new ATOM 0 HB3 SER A 200 7.599 -8.023 7.645 1.00 0.00 H new ATOM 0 HG SER A 200 9.809 -8.726 7.658 1.00 0.00 H new ATOM 978 N HIS A 201 8.723 -6.161 5.101 1.00 0.00 N ATOM 979 CA HIS A 201 8.505 -6.206 3.659 1.00 0.00 C ATOM 980 C HIS A 201 7.692 -7.437 3.271 1.00 0.00 C ATOM 981 O HIS A 201 6.664 -7.328 2.604 1.00 0.00 O ATOM 982 CB HIS A 201 9.844 -6.210 2.919 1.00 0.00 C ATOM 983 CG HIS A 201 9.757 -6.759 1.528 1.00 0.00 C ATOM 984 ND1 HIS A 201 8.844 -6.311 0.598 1.00 0.00 N ATOM 985 CD2 HIS A 201 10.479 -7.724 0.911 1.00 0.00 C ATOM 986 CE1 HIS A 201 9.006 -6.977 -0.531 1.00 0.00 C ATOM 987 NE2 HIS A 201 9.992 -7.840 -0.368 1.00 0.00 N ATOM 0 H HIS A 201 9.693 -6.297 5.385 1.00 0.00 H new ATOM 0 HA HIS A 201 7.943 -5.317 3.373 1.00 0.00 H new ATOM 0 HB2 HIS A 201 10.229 -5.191 2.875 1.00 0.00 H new ATOM 0 HB3 HIS A 201 10.563 -6.798 3.489 1.00 0.00 H new ATOM 0 HD2 HIS A 201 11.287 -8.296 1.344 1.00 0.00 H new ATOM 0 HE1 HIS A 201 8.430 -6.839 -1.434 1.00 0.00 H new ATOM 0 HE2 HIS A 201 10.336 -8.488 -1.077 1.00 0.00 H new ATOM 995 N ALA A 202 8.161 -8.607 3.693 1.00 0.00 N ATOM 996 CA ALA A 202 7.476 -9.858 3.391 1.00 0.00 C ATOM 997 C ALA A 202 5.972 -9.726 3.603 1.00 0.00 C ATOM 998 O ALA A 202 5.187 -9.907 2.674 1.00 0.00 O ATOM 999 CB ALA A 202 8.036 -10.985 4.246 1.00 0.00 C ATOM 0 H ALA A 202 9.012 -8.714 4.245 1.00 0.00 H new ATOM 0 HA ALA A 202 7.648 -10.094 2.341 1.00 0.00 H new ATOM 0 HB1 ALA A 202 7.516 -11.913 4.010 1.00 0.00 H new ATOM 0 HB2 ALA A 202 9.100 -11.103 4.041 1.00 0.00 H new ATOM 0 HB3 ALA A 202 7.894 -10.747 5.300 1.00 0.00 H new ATOM 1005 N GLU A 203 5.579 -9.411 4.833 1.00 0.00 N ATOM 1006 CA GLU A 203 4.167 -9.257 5.167 1.00 0.00 C ATOM 1007 C GLU A 203 3.453 -8.397 4.128 1.00 0.00 C ATOM 1008 O GLU A 203 2.365 -8.738 3.667 1.00 0.00 O ATOM 1009 CB GLU A 203 4.014 -8.631 6.555 1.00 0.00 C ATOM 1010 CG GLU A 203 4.114 -9.636 7.690 1.00 0.00 C ATOM 1011 CD GLU A 203 3.342 -10.911 7.410 1.00 0.00 C ATOM 1012 OE1 GLU A 203 2.208 -10.817 6.895 1.00 0.00 O ATOM 1013 OE2 GLU A 203 3.872 -12.003 7.705 1.00 0.00 O ATOM 0 H GLU A 203 6.217 -9.258 5.614 1.00 0.00 H new ATOM 0 HA GLU A 203 3.711 -10.247 5.170 1.00 0.00 H new ATOM 0 HB2 GLU A 203 4.782 -7.869 6.687 1.00 0.00 H new ATOM 0 HB3 GLU A 203 3.050 -8.126 6.612 1.00 0.00 H new ATOM 0 HG2 GLU A 203 5.162 -9.881 7.862 1.00 0.00 H new ATOM 0 HG3 GLU A 203 3.738 -9.182 8.607 1.00 0.00 H new ATOM 1020 N ALA A 204 4.075 -7.279 3.766 1.00 0.00 N ATOM 1021 CA ALA A 204 3.500 -6.371 2.781 1.00 0.00 C ATOM 1022 C ALA A 204 3.200 -7.097 1.474 1.00 0.00 C ATOM 1023 O ALA A 204 2.058 -7.123 1.016 1.00 0.00 O ATOM 1024 CB ALA A 204 4.439 -5.200 2.533 1.00 0.00 C ATOM 0 H ALA A 204 4.976 -6.981 4.140 1.00 0.00 H new ATOM 0 HA ALA A 204 2.559 -5.991 3.179 1.00 0.00 H new ATOM 0 HB1 ALA A 204 3.998 -4.530 1.796 1.00 0.00 H new ATOM 0 HB2 ALA A 204 4.600 -4.659 3.465 1.00 0.00 H new ATOM 0 HB3 ALA A 204 5.393 -5.572 2.160 1.00 0.00 H new ATOM 1030 N GLN A 205 4.233 -7.685 0.878 1.00 0.00 N ATOM 1031 CA GLN A 205 4.078 -8.410 -0.378 1.00 0.00 C ATOM 1032 C GLN A 205 2.851 -9.314 -0.336 1.00 0.00 C ATOM 1033 O GLN A 205 2.024 -9.297 -1.248 1.00 0.00 O ATOM 1034 CB GLN A 205 5.329 -9.241 -0.668 1.00 0.00 C ATOM 1035 CG GLN A 205 5.490 -9.604 -2.135 1.00 0.00 C ATOM 1036 CD GLN A 205 5.795 -8.401 -3.005 1.00 0.00 C ATOM 1037 OE1 GLN A 205 6.954 -8.020 -3.173 1.00 0.00 O ATOM 1038 NE2 GLN A 205 4.754 -7.794 -3.563 1.00 0.00 N ATOM 0 H GLN A 205 5.185 -7.674 1.244 1.00 0.00 H new ATOM 0 HA GLN A 205 3.942 -7.680 -1.176 1.00 0.00 H new ATOM 0 HB2 GLN A 205 6.208 -8.686 -0.341 1.00 0.00 H new ATOM 0 HB3 GLN A 205 5.292 -10.156 -0.077 1.00 0.00 H new ATOM 0 HG2 GLN A 205 6.292 -10.335 -2.238 1.00 0.00 H new ATOM 0 HG3 GLN A 205 4.576 -10.081 -2.489 1.00 0.00 H new ATOM 0 HE21 GLN A 205 3.810 -8.144 -3.397 1.00 0.00 H new ATOM 0 HE22 GLN A 205 4.898 -6.978 -4.158 1.00 0.00 H new ATOM 1047 N ALA A 206 2.738 -10.103 0.727 1.00 0.00 N ATOM 1048 CA ALA A 206 1.611 -11.013 0.887 1.00 0.00 C ATOM 1049 C ALA A 206 0.285 -10.273 0.756 1.00 0.00 C ATOM 1050 O ALA A 206 -0.585 -10.670 -0.019 1.00 0.00 O ATOM 1051 CB ALA A 206 1.691 -11.721 2.232 1.00 0.00 C ATOM 0 H ALA A 206 3.414 -10.130 1.491 1.00 0.00 H new ATOM 0 HA ALA A 206 1.662 -11.758 0.093 1.00 0.00 H new ATOM 0 HB1 ALA A 206 0.843 -12.398 2.338 1.00 0.00 H new ATOM 0 HB2 ALA A 206 2.619 -12.290 2.289 1.00 0.00 H new ATOM 0 HB3 ALA A 206 1.669 -10.983 3.034 1.00 0.00 H new ATOM 1057 N ALA A 207 0.136 -9.194 1.518 1.00 0.00 N ATOM 1058 CA ALA A 207 -1.084 -8.397 1.485 1.00 0.00 C ATOM 1059 C ALA A 207 -1.378 -7.901 0.073 1.00 0.00 C ATOM 1060 O ALA A 207 -2.514 -7.972 -0.396 1.00 0.00 O ATOM 1061 CB ALA A 207 -0.974 -7.223 2.446 1.00 0.00 C ATOM 0 H ALA A 207 0.846 -8.852 2.166 1.00 0.00 H new ATOM 0 HA ALA A 207 -1.912 -9.033 1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 207 -1.892 -6.637 2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 207 -0.820 -7.595 3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 207 -0.131 -6.595 2.158 1.00 0.00 H new ATOM 1067 N ILE A 208 -0.347 -7.400 -0.599 1.00 0.00 N ATOM 1068 CA ILE A 208 -0.496 -6.893 -1.958 1.00 0.00 C ATOM 1069 C ILE A 208 -1.038 -7.971 -2.891 1.00 0.00 C ATOM 1070 O ILE A 208 -2.203 -7.937 -3.284 1.00 0.00 O ATOM 1071 CB ILE A 208 0.842 -6.373 -2.515 1.00 0.00 C ATOM 1072 CG1 ILE A 208 1.332 -5.179 -1.693 1.00 0.00 C ATOM 1073 CG2 ILE A 208 0.694 -5.990 -3.979 1.00 0.00 C ATOM 1074 CD1 ILE A 208 2.801 -4.874 -1.887 1.00 0.00 C ATOM 0 H ILE A 208 0.600 -7.334 -0.225 1.00 0.00 H new ATOM 0 HA ILE A 208 -1.206 -6.067 -1.910 1.00 0.00 H new ATOM 0 HB ILE A 208 1.583 -7.169 -2.442 1.00 0.00 H new ATOM 0 HG12 ILE A 208 0.748 -4.299 -1.962 1.00 0.00 H new ATOM 0 HG13 ILE A 208 1.146 -5.374 -0.637 1.00 0.00 H new ATOM 0 HG21 ILE A 208 1.648 -5.624 -4.358 1.00 0.00 H new ATOM 0 HG22 ILE A 208 0.386 -6.863 -4.554 1.00 0.00 H new ATOM 0 HG23 ILE A 208 -0.059 -5.207 -4.076 1.00 0.00 H new ATOM 0 HD11 ILE A 208 3.079 -4.016 -1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 208 3.394 -5.739 -1.591 1.00 0.00 H new ATOM 0 HD13 ILE A 208 2.990 -4.647 -2.936 1.00 0.00 H new ATOM 1086 N ASN A 209 -0.183 -8.927 -3.240 1.00 0.00 N ATOM 1087 CA ASN A 209 -0.576 -10.017 -4.126 1.00 0.00 C ATOM 1088 C ASN A 209 -1.899 -10.631 -3.679 1.00 0.00 C ATOM 1089 O ASN A 209 -2.768 -10.925 -4.500 1.00 0.00 O ATOM 1090 CB ASN A 209 0.512 -11.091 -4.160 1.00 0.00 C ATOM 1091 CG ASN A 209 0.013 -12.402 -4.737 1.00 0.00 C ATOM 1092 OD1 ASN A 209 -0.800 -12.416 -5.662 1.00 0.00 O ATOM 1093 ND2 ASN A 209 0.498 -13.511 -4.192 1.00 0.00 N ATOM 0 H ASN A 209 0.786 -8.969 -2.923 1.00 0.00 H new ATOM 0 HA ASN A 209 -0.706 -9.609 -5.128 1.00 0.00 H new ATOM 0 HB2 ASN A 209 1.354 -10.733 -4.753 1.00 0.00 H new ATOM 0 HB3 ASN A 209 0.883 -11.260 -3.149 1.00 0.00 H new ATOM 0 HD21 ASN A 209 0.199 -14.423 -4.538 1.00 0.00 H new ATOM 0 HD22 ASN A 209 1.170 -13.452 -3.427 1.00 0.00 H new ATOM 1100 N ALA A 210 -2.045 -10.822 -2.372 1.00 0.00 N ATOM 1101 CA ALA A 210 -3.263 -11.398 -1.815 1.00 0.00 C ATOM 1102 C ALA A 210 -4.484 -10.563 -2.183 1.00 0.00 C ATOM 1103 O ALA A 210 -5.559 -11.101 -2.450 1.00 0.00 O ATOM 1104 CB ALA A 210 -3.143 -11.525 -0.303 1.00 0.00 C ATOM 0 H ALA A 210 -1.335 -10.586 -1.679 1.00 0.00 H new ATOM 0 HA ALA A 210 -3.394 -12.392 -2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 210 -4.059 -11.956 0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 210 -2.300 -12.171 -0.058 1.00 0.00 H new ATOM 0 HB3 ALA A 210 -2.984 -10.539 0.133 1.00 0.00 H new ATOM 1110 N LEU A 211 -4.312 -9.246 -2.194 1.00 0.00 N ATOM 1111 CA LEU A 211 -5.401 -8.335 -2.529 1.00 0.00 C ATOM 1112 C LEU A 211 -5.229 -7.774 -3.937 1.00 0.00 C ATOM 1113 O LEU A 211 -5.960 -8.140 -4.857 1.00 0.00 O ATOM 1114 CB LEU A 211 -5.466 -7.191 -1.516 1.00 0.00 C ATOM 1115 CG LEU A 211 -5.557 -7.601 -0.046 1.00 0.00 C ATOM 1116 CD1 LEU A 211 -5.376 -6.391 0.858 1.00 0.00 C ATOM 1117 CD2 LEU A 211 -6.887 -8.284 0.235 1.00 0.00 C ATOM 0 H LEU A 211 -3.429 -8.785 -1.975 1.00 0.00 H new ATOM 0 HA LEU A 211 -6.335 -8.897 -2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -4.581 -6.568 -1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -6.330 -6.571 -1.754 1.00 0.00 H new ATOM 0 HG LEU A 211 -4.755 -8.309 0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -5.444 -6.702 1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -4.399 -5.944 0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -6.155 -5.659 0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -6.935 -8.569 1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -7.703 -7.598 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -6.977 -9.175 -0.387 1.00 0.00 H new ATOM 1129 N HIS A 212 -4.254 -6.884 -4.098 1.00 0.00 N ATOM 1130 CA HIS A 212 -3.983 -6.274 -5.395 1.00 0.00 C ATOM 1131 C HIS A 212 -3.945 -7.330 -6.495 1.00 0.00 C ATOM 1132 O HIS A 212 -3.363 -8.401 -6.322 1.00 0.00 O ATOM 1133 CB HIS A 212 -2.657 -5.513 -5.357 1.00 0.00 C ATOM 1134 CG HIS A 212 -2.068 -5.268 -6.712 1.00 0.00 C ATOM 1135 ND1 HIS A 212 -2.725 -4.571 -7.704 1.00 0.00 N ATOM 1136 CD2 HIS A 212 -0.874 -5.631 -7.237 1.00 0.00 C ATOM 1137 CE1 HIS A 212 -1.962 -4.517 -8.781 1.00 0.00 C ATOM 1138 NE2 HIS A 212 -0.833 -5.152 -8.524 1.00 0.00 N ATOM 0 H HIS A 212 -3.639 -6.570 -3.347 1.00 0.00 H new ATOM 0 HA HIS A 212 -4.789 -5.574 -5.615 1.00 0.00 H new ATOM 0 HB2 HIS A 212 -2.811 -4.556 -4.858 1.00 0.00 H new ATOM 0 HB3 HIS A 212 -1.942 -6.075 -4.755 1.00 0.00 H new ATOM 0 HD1 HIS A 212 -3.655 -4.161 -7.619 1.00 0.00 H new ATOM 0 HD2 HIS A 212 -0.098 -6.192 -6.737 1.00 0.00 H new ATOM 0 HE1 HIS A 212 -2.218 -4.035 -9.713 1.00 0.00 H new ATOM 1146 N GLY A 213 -4.571 -7.022 -7.627 1.00 0.00 N ATOM 1147 CA GLY A 213 -4.597 -7.955 -8.738 1.00 0.00 C ATOM 1148 C GLY A 213 -5.530 -9.125 -8.491 1.00 0.00 C ATOM 1149 O GLY A 213 -5.756 -9.946 -9.379 1.00 0.00 O ATOM 0 H GLY A 213 -5.061 -6.143 -7.794 1.00 0.00 H new ATOM 0 HA2 GLY A 213 -4.908 -7.431 -9.642 1.00 0.00 H new ATOM 0 HA3 GLY A 213 -3.589 -8.329 -8.918 1.00 0.00 H new ATOM 1153 N SER A 214 -6.071 -9.202 -7.279 1.00 0.00 N ATOM 1154 CA SER A 214 -6.980 -10.283 -6.916 1.00 0.00 C ATOM 1155 C SER A 214 -8.420 -9.925 -7.271 1.00 0.00 C ATOM 1156 O SER A 214 -8.998 -10.486 -8.200 1.00 0.00 O ATOM 1157 CB SER A 214 -6.872 -10.587 -5.420 1.00 0.00 C ATOM 1158 OG SER A 214 -7.184 -11.942 -5.151 1.00 0.00 O ATOM 0 H SER A 214 -5.896 -8.529 -6.533 1.00 0.00 H new ATOM 0 HA SER A 214 -6.695 -11.170 -7.482 1.00 0.00 H new ATOM 0 HB2 SER A 214 -5.862 -10.367 -5.073 1.00 0.00 H new ATOM 0 HB3 SER A 214 -7.548 -9.938 -4.864 1.00 0.00 H new ATOM 0 HG SER A 214 -7.106 -12.111 -4.189 1.00 0.00 H new ATOM 1164 N GLN A 215 -8.991 -8.986 -6.523 1.00 0.00 N ATOM 1165 CA GLN A 215 -10.363 -8.553 -6.757 1.00 0.00 C ATOM 1166 C GLN A 215 -10.395 -7.243 -7.538 1.00 0.00 C ATOM 1167 O GLN A 215 -9.351 -6.673 -7.859 1.00 0.00 O ATOM 1168 CB GLN A 215 -11.102 -8.387 -5.429 1.00 0.00 C ATOM 1169 CG GLN A 215 -10.678 -7.154 -4.647 1.00 0.00 C ATOM 1170 CD GLN A 215 -9.521 -7.428 -3.707 1.00 0.00 C ATOM 1171 OE1 GLN A 215 -8.485 -6.766 -3.770 1.00 0.00 O ATOM 1172 NE2 GLN A 215 -9.692 -8.408 -2.828 1.00 0.00 N ATOM 0 H GLN A 215 -8.525 -8.511 -5.750 1.00 0.00 H new ATOM 0 HA GLN A 215 -10.863 -9.320 -7.349 1.00 0.00 H new ATOM 0 HB2 GLN A 215 -12.173 -8.333 -5.623 1.00 0.00 H new ATOM 0 HB3 GLN A 215 -10.933 -9.272 -4.816 1.00 0.00 H new ATOM 0 HG2 GLN A 215 -10.395 -6.366 -5.345 1.00 0.00 H new ATOM 0 HG3 GLN A 215 -11.527 -6.783 -4.073 1.00 0.00 H new ATOM 0 HE21 GLN A 215 -10.568 -8.931 -2.811 1.00 0.00 H new ATOM 0 HE22 GLN A 215 -8.948 -8.638 -2.169 1.00 0.00 H new ATOM 1181 N THR A 216 -11.600 -6.770 -7.842 1.00 0.00 N ATOM 1182 CA THR A 216 -11.767 -5.528 -8.586 1.00 0.00 C ATOM 1183 C THR A 216 -12.844 -4.651 -7.957 1.00 0.00 C ATOM 1184 O THR A 216 -14.032 -4.816 -8.233 1.00 0.00 O ATOM 1185 CB THR A 216 -12.138 -5.800 -10.056 1.00 0.00 C ATOM 1186 OG1 THR A 216 -11.157 -6.651 -10.659 1.00 0.00 O ATOM 1187 CG2 THR A 216 -12.238 -4.499 -10.839 1.00 0.00 C ATOM 0 H THR A 216 -12.474 -7.228 -7.584 1.00 0.00 H new ATOM 0 HA THR A 216 -10.810 -5.007 -8.550 1.00 0.00 H new ATOM 0 HB THR A 216 -13.110 -6.294 -10.077 1.00 0.00 H new ATOM 0 HG1 THR A 216 -11.401 -6.820 -11.593 1.00 0.00 H new ATOM 0 HG21 THR A 216 -12.501 -4.717 -11.874 1.00 0.00 H new ATOM 0 HG22 THR A 216 -13.006 -3.865 -10.395 1.00 0.00 H new ATOM 0 HG23 THR A 216 -11.279 -3.982 -10.809 1.00 0.00 H new ATOM 1195 N MET A 217 -12.420 -3.718 -7.110 1.00 0.00 N ATOM 1196 CA MET A 217 -13.349 -2.813 -6.443 1.00 0.00 C ATOM 1197 C MET A 217 -14.521 -2.468 -7.355 1.00 0.00 C ATOM 1198 O MET A 217 -14.350 -2.144 -8.531 1.00 0.00 O ATOM 1199 CB MET A 217 -12.628 -1.534 -6.013 1.00 0.00 C ATOM 1200 CG MET A 217 -11.612 -1.752 -4.904 1.00 0.00 C ATOM 1201 SD MET A 217 -12.358 -2.398 -3.395 1.00 0.00 S ATOM 1202 CE MET A 217 -11.304 -3.810 -3.074 1.00 0.00 C ATOM 0 H MET A 217 -11.440 -3.569 -6.870 1.00 0.00 H new ATOM 0 HA MET A 217 -13.737 -3.318 -5.558 1.00 0.00 H new ATOM 0 HB2 MET A 217 -12.123 -1.103 -6.878 1.00 0.00 H new ATOM 0 HB3 MET A 217 -13.367 -0.805 -5.680 1.00 0.00 H new ATOM 0 HG2 MET A 217 -10.845 -2.444 -5.251 1.00 0.00 H new ATOM 0 HG3 MET A 217 -11.113 -0.808 -4.683 1.00 0.00 H new ATOM 0 HE1 MET A 217 -11.730 -4.406 -2.267 1.00 0.00 H new ATOM 0 HE2 MET A 217 -11.228 -4.420 -3.974 1.00 0.00 H new ATOM 0 HE3 MET A 217 -10.311 -3.465 -2.785 1.00 0.00 H new ATOM 1212 N PRO A 218 -15.742 -2.538 -6.804 1.00 0.00 N ATOM 1213 CA PRO A 218 -16.967 -2.237 -7.551 1.00 0.00 C ATOM 1214 C PRO A 218 -16.872 -0.918 -8.311 1.00 0.00 C ATOM 1215 O PRO A 218 -16.719 0.145 -7.712 1.00 0.00 O ATOM 1216 CB PRO A 218 -18.036 -2.149 -6.459 1.00 0.00 C ATOM 1217 CG PRO A 218 -17.528 -3.018 -5.361 1.00 0.00 C ATOM 1218 CD PRO A 218 -16.021 -2.917 -5.409 1.00 0.00 C ATOM 0 HA PRO A 218 -17.176 -2.989 -8.311 1.00 0.00 H new ATOM 0 HB2 PRO A 218 -18.172 -1.122 -6.120 1.00 0.00 H new ATOM 0 HB3 PRO A 218 -19.003 -2.496 -6.823 1.00 0.00 H new ATOM 0 HG2 PRO A 218 -17.910 -2.688 -4.395 1.00 0.00 H new ATOM 0 HG3 PRO A 218 -17.854 -4.049 -5.498 1.00 0.00 H new ATOM 0 HD2 PRO A 218 -15.647 -2.170 -4.709 1.00 0.00 H new ATOM 0 HD3 PRO A 218 -15.548 -3.864 -5.149 1.00 0.00 H new ATOM 1226 N GLY A 219 -16.965 -0.996 -9.636 1.00 0.00 N ATOM 1227 CA GLY A 219 -16.887 0.199 -10.456 1.00 0.00 C ATOM 1228 C GLY A 219 -15.736 0.153 -11.441 1.00 0.00 C ATOM 1229 O GLY A 219 -15.932 0.329 -12.643 1.00 0.00 O ATOM 0 H GLY A 219 -17.093 -1.865 -10.155 1.00 0.00 H new ATOM 0 HA2 GLY A 219 -17.823 0.323 -11.001 1.00 0.00 H new ATOM 0 HA3 GLY A 219 -16.775 1.071 -9.812 1.00 0.00 H new ATOM 1233 N ALA A 220 -14.532 -0.083 -10.931 1.00 0.00 N ATOM 1234 CA ALA A 220 -13.345 -0.152 -11.774 1.00 0.00 C ATOM 1235 C ALA A 220 -13.337 -1.429 -12.607 1.00 0.00 C ATOM 1236 O ALA A 220 -14.019 -2.400 -12.278 1.00 0.00 O ATOM 1237 CB ALA A 220 -12.087 -0.066 -10.923 1.00 0.00 C ATOM 0 H ALA A 220 -14.353 -0.230 -9.938 1.00 0.00 H new ATOM 0 HA ALA A 220 -13.366 0.696 -12.458 1.00 0.00 H new ATOM 0 HB1 ALA A 220 -11.208 -0.119 -11.566 1.00 0.00 H new ATOM 0 HB2 ALA A 220 -12.081 0.877 -10.377 1.00 0.00 H new ATOM 0 HB3 ALA A 220 -12.069 -0.895 -10.215 1.00 0.00 H new ATOM 1243 N SER A 221 -12.561 -1.422 -13.686 1.00 0.00 N ATOM 1244 CA SER A 221 -12.468 -2.579 -14.568 1.00 0.00 C ATOM 1245 C SER A 221 -11.230 -3.410 -14.246 1.00 0.00 C ATOM 1246 O SER A 221 -11.178 -4.605 -14.536 1.00 0.00 O ATOM 1247 CB SER A 221 -12.428 -2.131 -16.031 1.00 0.00 C ATOM 1248 OG SER A 221 -12.379 -3.245 -16.905 1.00 0.00 O ATOM 0 H SER A 221 -11.988 -0.628 -13.970 1.00 0.00 H new ATOM 0 HA SER A 221 -13.351 -3.197 -14.408 1.00 0.00 H new ATOM 0 HB2 SER A 221 -13.308 -1.528 -16.254 1.00 0.00 H new ATOM 0 HB3 SER A 221 -11.557 -1.497 -16.196 1.00 0.00 H new ATOM 0 HG SER A 221 -12.356 -2.932 -17.833 1.00 0.00 H new ATOM 1254 N SER A 222 -10.234 -2.767 -13.643 1.00 0.00 N ATOM 1255 CA SER A 222 -8.994 -3.445 -13.284 1.00 0.00 C ATOM 1256 C SER A 222 -8.988 -3.818 -11.805 1.00 0.00 C ATOM 1257 O SER A 222 -9.557 -3.111 -10.973 1.00 0.00 O ATOM 1258 CB SER A 222 -7.791 -2.554 -13.602 1.00 0.00 C ATOM 1259 OG SER A 222 -7.330 -2.773 -14.924 1.00 0.00 O ATOM 0 H SER A 222 -10.262 -1.778 -13.393 1.00 0.00 H new ATOM 0 HA SER A 222 -8.925 -4.360 -13.872 1.00 0.00 H new ATOM 0 HB2 SER A 222 -8.067 -1.507 -13.479 1.00 0.00 H new ATOM 0 HB3 SER A 222 -6.987 -2.757 -12.895 1.00 0.00 H new ATOM 0 HG SER A 222 -6.562 -2.191 -15.103 1.00 0.00 H new ATOM 1265 N SER A 223 -8.340 -4.933 -11.485 1.00 0.00 N ATOM 1266 CA SER A 223 -8.262 -5.404 -10.107 1.00 0.00 C ATOM 1267 C SER A 223 -7.580 -4.369 -9.217 1.00 0.00 C ATOM 1268 O SER A 223 -6.813 -3.532 -9.694 1.00 0.00 O ATOM 1269 CB SER A 223 -7.501 -6.730 -10.041 1.00 0.00 C ATOM 1270 OG SER A 223 -8.202 -7.754 -10.726 1.00 0.00 O ATOM 0 H SER A 223 -7.861 -5.528 -12.161 1.00 0.00 H new ATOM 0 HA SER A 223 -9.278 -5.558 -9.744 1.00 0.00 H new ATOM 0 HB2 SER A 223 -6.511 -6.607 -10.479 1.00 0.00 H new ATOM 0 HB3 SER A 223 -7.355 -7.018 -9.000 1.00 0.00 H new ATOM 0 HG SER A 223 -9.154 -7.525 -10.772 1.00 0.00 H new ATOM 1276 N LEU A 224 -7.865 -4.432 -7.922 1.00 0.00 N ATOM 1277 CA LEU A 224 -7.281 -3.501 -6.963 1.00 0.00 C ATOM 1278 C LEU A 224 -5.834 -3.182 -7.326 1.00 0.00 C ATOM 1279 O LEU A 224 -5.150 -3.987 -7.958 1.00 0.00 O ATOM 1280 CB LEU A 224 -7.347 -4.083 -5.550 1.00 0.00 C ATOM 1281 CG LEU A 224 -6.698 -3.247 -4.448 1.00 0.00 C ATOM 1282 CD1 LEU A 224 -7.519 -1.997 -4.172 1.00 0.00 C ATOM 1283 CD2 LEU A 224 -6.534 -4.070 -3.179 1.00 0.00 C ATOM 0 H LEU A 224 -8.498 -5.119 -7.511 1.00 0.00 H new ATOM 0 HA LEU A 224 -7.858 -2.577 -6.995 1.00 0.00 H new ATOM 0 HB2 LEU A 224 -8.394 -4.238 -5.291 1.00 0.00 H new ATOM 0 HB3 LEU A 224 -6.873 -5.064 -5.561 1.00 0.00 H new ATOM 0 HG LEU A 224 -5.709 -2.940 -4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 224 -7.041 -1.414 -3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 224 -7.584 -1.396 -5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 224 -8.522 -2.283 -3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 224 -6.070 -3.458 -2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 224 -7.512 -4.409 -2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 224 -5.902 -4.934 -3.385 1.00 0.00 H new ATOM 1295 N VAL A 225 -5.373 -2.003 -6.921 1.00 0.00 N ATOM 1296 CA VAL A 225 -4.007 -1.579 -7.201 1.00 0.00 C ATOM 1297 C VAL A 225 -3.273 -1.205 -5.917 1.00 0.00 C ATOM 1298 O VAL A 225 -3.589 -0.201 -5.279 1.00 0.00 O ATOM 1299 CB VAL A 225 -3.978 -0.377 -8.164 1.00 0.00 C ATOM 1300 CG1 VAL A 225 -2.544 0.025 -8.473 1.00 0.00 C ATOM 1301 CG2 VAL A 225 -4.737 -0.701 -9.442 1.00 0.00 C ATOM 0 H VAL A 225 -5.926 -1.324 -6.398 1.00 0.00 H new ATOM 0 HA VAL A 225 -3.504 -2.424 -7.671 1.00 0.00 H new ATOM 0 HB VAL A 225 -4.470 0.467 -7.680 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -2.543 0.876 -9.155 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -2.036 0.300 -7.549 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -2.023 -0.812 -8.937 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -4.707 0.159 -10.111 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -4.276 -1.558 -9.932 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -5.774 -0.936 -9.200 1.00 0.00 H new ATOM 1311 N VAL A 226 -2.292 -2.020 -5.544 1.00 0.00 N ATOM 1312 CA VAL A 226 -1.511 -1.774 -4.337 1.00 0.00 C ATOM 1313 C VAL A 226 -0.018 -1.911 -4.611 1.00 0.00 C ATOM 1314 O VAL A 226 0.510 -3.019 -4.700 1.00 0.00 O ATOM 1315 CB VAL A 226 -1.906 -2.744 -3.207 1.00 0.00 C ATOM 1316 CG1 VAL A 226 -1.163 -2.399 -1.925 1.00 0.00 C ATOM 1317 CG2 VAL A 226 -3.410 -2.719 -2.985 1.00 0.00 C ATOM 0 H VAL A 226 -2.019 -2.856 -6.060 1.00 0.00 H new ATOM 0 HA VAL A 226 -1.727 -0.753 -4.022 1.00 0.00 H new ATOM 0 HB VAL A 226 -1.623 -3.754 -3.502 1.00 0.00 H new ATOM 0 HG11 VAL A 226 -1.454 -3.094 -1.137 1.00 0.00 H new ATOM 0 HG12 VAL A 226 -0.089 -2.473 -2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 226 -1.413 -1.382 -1.622 1.00 0.00 H new ATOM 0 HG21 VAL A 226 -3.671 -3.410 -2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 226 -3.721 -1.711 -2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 226 -3.918 -3.018 -3.902 1.00 0.00 H new ATOM 1327 N LYS A 227 0.660 -0.775 -4.744 1.00 0.00 N ATOM 1328 CA LYS A 227 2.094 -0.766 -5.006 1.00 0.00 C ATOM 1329 C LYS A 227 2.820 0.152 -4.028 1.00 0.00 C ATOM 1330 O LYS A 227 2.249 1.124 -3.534 1.00 0.00 O ATOM 1331 CB LYS A 227 2.368 -0.316 -6.443 1.00 0.00 C ATOM 1332 CG LYS A 227 1.810 1.059 -6.767 1.00 0.00 C ATOM 1333 CD LYS A 227 1.453 1.184 -8.238 1.00 0.00 C ATOM 1334 CE LYS A 227 2.655 1.606 -9.070 1.00 0.00 C ATOM 1335 NZ LYS A 227 2.356 1.583 -10.528 1.00 0.00 N ATOM 0 H LYS A 227 0.239 0.151 -4.674 1.00 0.00 H new ATOM 0 HA LYS A 227 2.469 -1.781 -4.872 1.00 0.00 H new ATOM 0 HB2 LYS A 227 3.444 -0.312 -6.614 1.00 0.00 H new ATOM 0 HB3 LYS A 227 1.939 -1.044 -7.131 1.00 0.00 H new ATOM 0 HG2 LYS A 227 0.924 1.245 -6.160 1.00 0.00 H new ATOM 0 HG3 LYS A 227 2.543 1.821 -6.504 1.00 0.00 H new ATOM 0 HD2 LYS A 227 1.073 0.230 -8.604 1.00 0.00 H new ATOM 0 HD3 LYS A 227 0.652 1.913 -8.358 1.00 0.00 H new ATOM 0 HE2 LYS A 227 2.964 2.610 -8.778 1.00 0.00 H new ATOM 0 HE3 LYS A 227 3.493 0.941 -8.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 227 3.200 1.877 -11.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 227 2.086 0.620 -10.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 227 1.573 2.237 -10.732 1.00 0.00 H new ATOM 1349 N PHE A 228 4.082 -0.163 -3.753 1.00 0.00 N ATOM 1350 CA PHE A 228 4.886 0.634 -2.834 1.00 0.00 C ATOM 1351 C PHE A 228 4.958 2.087 -3.295 1.00 0.00 C ATOM 1352 O PHE A 228 4.822 2.381 -4.482 1.00 0.00 O ATOM 1353 CB PHE A 228 6.296 0.052 -2.722 1.00 0.00 C ATOM 1354 CG PHE A 228 6.322 -1.370 -2.239 1.00 0.00 C ATOM 1355 CD1 PHE A 228 6.085 -1.668 -0.907 1.00 0.00 C ATOM 1356 CD2 PHE A 228 6.583 -2.409 -3.118 1.00 0.00 C ATOM 1357 CE1 PHE A 228 6.107 -2.976 -0.460 1.00 0.00 C ATOM 1358 CE2 PHE A 228 6.606 -3.718 -2.677 1.00 0.00 C ATOM 1359 CZ PHE A 228 6.369 -4.002 -1.347 1.00 0.00 C ATOM 0 H PHE A 228 4.569 -0.964 -4.154 1.00 0.00 H new ATOM 0 HA PHE A 228 4.410 0.605 -1.854 1.00 0.00 H new ATOM 0 HB2 PHE A 228 6.781 0.105 -3.697 1.00 0.00 H new ATOM 0 HB3 PHE A 228 6.882 0.669 -2.041 1.00 0.00 H new ATOM 0 HD1 PHE A 228 5.881 -0.869 -0.210 1.00 0.00 H new ATOM 0 HD2 PHE A 228 6.771 -2.193 -4.159 1.00 0.00 H new ATOM 0 HE1 PHE A 228 5.920 -3.195 0.581 1.00 0.00 H new ATOM 0 HE2 PHE A 228 6.809 -4.519 -3.372 1.00 0.00 H new ATOM 0 HZ PHE A 228 6.388 -5.025 -1.001 1.00 0.00 H new