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 159 ASN : amide:sc= -2.85! C(o=-3!,f=-5.4!) USER MOD Set 1.2: A 162 GLN : amide:sc= -0.142 X(o=-3,f=-2.8) USER MOD Single : A 152 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0223) USER MOD Single : A 157 MET CE :methyl 180:sc= 0 (180deg=0) 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=-0.02) USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 176 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 180 CYS SG : rot -170:sc= -5.18! USER MOD Single : A 181 THR OG1 : rot 180:sc= -0.0371 USER MOD Single : A 190 SER OG : rot 36:sc= 0.0255 USER MOD Single : A 191 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 193 CYS SG : rot -88:sc= -2.1 USER MOD Single : A 197 LYS NZ :NH3+ 154:sc= -0.199 (180deg=-0.728) USER MOD Single : A 198 TYR OH : rot 23:sc= -0.348 USER MOD Single : A 199 SER OG : rot 180:sc= 0 USER MOD Single : A 200 SER OG : rot 180:sc= 0 USER MOD Single : A 201 HIS : no HD1:sc= 0.556 K(o=0.56,f=-2.3!) USER MOD Single : A 205 GLN : amide:sc= -3.77! C(o=-3.8!,f=-7.2!) USER MOD Single : A 209 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 212 HIS : no HE2:sc= -1.56 K(o=-1.6,f=-12!) USER MOD Single : A 214 SER OG : rot 116:sc= 0.598 USER MOD Single : A 215 GLN : amide:sc=-0.00577 X(o=-0.0058,f=-0.026) USER MOD Single : A 216 THR OG1 : rot 180:sc= -0.286 USER MOD Single : A 217 MET CE :methyl -152:sc= -0.976 (180deg=-2.61!) 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 -150:sc= 0.701 USER MOD Single : A 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 217 N LYS A 152 6.255 1.958 3.130 1.00 0.00 N ATOM 218 CA LYS A 152 4.914 2.460 2.854 1.00 0.00 C ATOM 219 C LYS A 152 4.319 1.778 1.627 1.00 0.00 C ATOM 220 O LYS A 152 5.042 1.210 0.808 1.00 0.00 O ATOM 221 CB LYS A 152 4.949 3.976 2.642 1.00 0.00 C ATOM 222 CG LYS A 152 3.669 4.678 3.060 1.00 0.00 C ATOM 223 CD LYS A 152 3.705 6.157 2.711 1.00 0.00 C ATOM 224 CE LYS A 152 2.881 6.980 3.689 1.00 0.00 C ATOM 225 NZ LYS A 152 3.579 7.156 4.992 1.00 0.00 N ATOM 0 HA LYS A 152 4.284 2.233 3.714 1.00 0.00 H new ATOM 0 HB2 LYS A 152 5.783 4.394 3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 152 5.140 4.183 1.589 1.00 0.00 H new ATOM 0 HG2 LYS A 152 2.818 4.208 2.568 1.00 0.00 H new ATOM 0 HG3 LYS A 152 3.522 4.560 4.134 1.00 0.00 H new ATOM 0 HD2 LYS A 152 4.737 6.508 2.717 1.00 0.00 H new ATOM 0 HD3 LYS A 152 3.324 6.303 1.700 1.00 0.00 H new ATOM 0 HE2 LYS A 152 2.671 7.957 3.254 1.00 0.00 H new ATOM 0 HE3 LYS A 152 1.920 6.492 3.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 2.876 7.242 5.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 4.188 6.332 5.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 4.162 8.017 4.960 1.00 0.00 H new ATOM 239 N LEU A 153 2.997 1.840 1.505 1.00 0.00 N ATOM 240 CA LEU A 153 2.305 1.229 0.375 1.00 0.00 C ATOM 241 C LEU A 153 1.274 2.187 -0.213 1.00 0.00 C ATOM 242 O LEU A 153 0.451 2.751 0.509 1.00 0.00 O ATOM 243 CB LEU A 153 1.622 -0.068 0.812 1.00 0.00 C ATOM 244 CG LEU A 153 2.549 -1.191 1.278 1.00 0.00 C ATOM 245 CD1 LEU A 153 1.754 -2.289 1.968 1.00 0.00 C ATOM 246 CD2 LEU A 153 3.334 -1.757 0.104 1.00 0.00 C ATOM 0 H LEU A 153 2.384 2.306 2.174 1.00 0.00 H new ATOM 0 HA LEU A 153 3.044 1.002 -0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 153 0.930 0.164 1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 153 1.025 -0.439 -0.021 1.00 0.00 H new ATOM 0 HG LEU A 153 3.256 -0.776 1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 153 2.431 -3.079 2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 153 1.238 -1.875 2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 153 1.023 -2.701 1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 153 3.988 -2.555 0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 153 2.642 -2.155 -0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 153 3.935 -0.967 -0.347 1.00 0.00 H new ATOM 258 N PHE A 154 1.322 2.364 -1.529 1.00 0.00 N ATOM 259 CA PHE A 154 0.392 3.252 -2.216 1.00 0.00 C ATOM 260 C PHE A 154 -0.773 2.466 -2.810 1.00 0.00 C ATOM 261 O PHE A 154 -0.585 1.628 -3.692 1.00 0.00 O ATOM 262 CB PHE A 154 1.114 4.028 -3.319 1.00 0.00 C ATOM 263 CG PHE A 154 0.187 4.794 -4.219 1.00 0.00 C ATOM 264 CD1 PHE A 154 -0.589 5.828 -3.719 1.00 0.00 C ATOM 265 CD2 PHE A 154 0.091 4.480 -5.565 1.00 0.00 C ATOM 266 CE1 PHE A 154 -1.443 6.533 -4.545 1.00 0.00 C ATOM 267 CE2 PHE A 154 -0.762 5.183 -6.396 1.00 0.00 C ATOM 268 CZ PHE A 154 -1.529 6.211 -5.885 1.00 0.00 C ATOM 0 H PHE A 154 1.996 1.904 -2.141 1.00 0.00 H new ATOM 0 HA PHE A 154 -0.004 3.957 -1.485 1.00 0.00 H new ATOM 0 HB2 PHE A 154 1.819 4.722 -2.862 1.00 0.00 H new ATOM 0 HB3 PHE A 154 1.697 3.331 -3.920 1.00 0.00 H new ATOM 0 HD1 PHE A 154 -0.525 6.085 -2.672 1.00 0.00 H new ATOM 0 HD2 PHE A 154 0.689 3.677 -5.970 1.00 0.00 H new ATOM 0 HE1 PHE A 154 -2.043 7.336 -4.143 1.00 0.00 H new ATOM 0 HE2 PHE A 154 -0.828 4.928 -7.443 1.00 0.00 H new ATOM 0 HZ PHE A 154 -2.195 6.762 -6.532 1.00 0.00 H new ATOM 278 N VAL A 155 -1.977 2.742 -2.320 1.00 0.00 N ATOM 279 CA VAL A 155 -3.174 2.062 -2.802 1.00 0.00 C ATOM 280 C VAL A 155 -4.062 3.011 -3.599 1.00 0.00 C ATOM 281 O VAL A 155 -4.295 4.148 -3.192 1.00 0.00 O ATOM 282 CB VAL A 155 -3.989 1.468 -1.638 1.00 0.00 C ATOM 283 CG1 VAL A 155 -5.193 0.702 -2.166 1.00 0.00 C ATOM 284 CG2 VAL A 155 -3.112 0.571 -0.777 1.00 0.00 C ATOM 0 H VAL A 155 -2.150 3.432 -1.589 1.00 0.00 H new ATOM 0 HA VAL A 155 -2.839 1.253 -3.451 1.00 0.00 H new ATOM 0 HB VAL A 155 -4.353 2.286 -1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 155 -5.757 0.289 -1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 155 -5.831 1.376 -2.737 1.00 0.00 H new ATOM 0 HG13 VAL A 155 -4.854 -0.109 -2.810 1.00 0.00 H new ATOM 0 HG21 VAL A 155 -3.704 0.160 0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 155 -2.717 -0.243 -1.385 1.00 0.00 H new ATOM 0 HG23 VAL A 155 -2.285 1.153 -0.369 1.00 0.00 H new ATOM 294 N GLY A 156 -4.557 2.534 -4.737 1.00 0.00 N ATOM 295 CA GLY A 156 -5.415 3.353 -5.573 1.00 0.00 C ATOM 296 C GLY A 156 -6.642 2.604 -6.054 1.00 0.00 C ATOM 297 O GLY A 156 -7.065 1.629 -5.434 1.00 0.00 O ATOM 0 H GLY A 156 -4.379 1.595 -5.095 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -5.728 4.235 -5.014 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -4.848 3.706 -6.434 1.00 0.00 H new ATOM 301 N MET A 157 -7.215 3.060 -7.163 1.00 0.00 N ATOM 302 CA MET A 157 -8.401 2.426 -7.727 1.00 0.00 C ATOM 303 C MET A 157 -9.364 1.997 -6.624 1.00 0.00 C ATOM 304 O MET A 157 -10.055 0.985 -6.748 1.00 0.00 O ATOM 305 CB MET A 157 -8.004 1.214 -8.573 1.00 0.00 C ATOM 306 CG MET A 157 -7.352 1.584 -9.895 1.00 0.00 C ATOM 307 SD MET A 157 -8.422 2.589 -10.941 1.00 0.00 S ATOM 308 CE MET A 157 -7.685 2.308 -12.549 1.00 0.00 C ATOM 0 H MET A 157 -6.877 3.866 -7.689 1.00 0.00 H new ATOM 0 HA MET A 157 -8.905 3.154 -8.362 1.00 0.00 H new ATOM 0 HB2 MET A 157 -7.317 0.591 -8.000 1.00 0.00 H new ATOM 0 HB3 MET A 157 -8.891 0.613 -8.770 1.00 0.00 H new ATOM 0 HG2 MET A 157 -6.427 2.127 -9.700 1.00 0.00 H new ATOM 0 HG3 MET A 157 -7.080 0.673 -10.429 1.00 0.00 H new ATOM 0 HE1 MET A 157 -8.238 2.865 -13.305 1.00 0.00 H new ATOM 0 HE2 MET A 157 -6.648 2.643 -12.537 1.00 0.00 H new ATOM 0 HE3 MET A 157 -7.720 1.244 -12.784 1.00 0.00 H new ATOM 318 N LEU A 158 -9.404 2.772 -5.546 1.00 0.00 N ATOM 319 CA LEU A 158 -10.283 2.472 -4.421 1.00 0.00 C ATOM 320 C LEU A 158 -11.681 3.036 -4.656 1.00 0.00 C ATOM 321 O LEU A 158 -11.899 3.812 -5.585 1.00 0.00 O ATOM 322 CB LEU A 158 -9.701 3.045 -3.127 1.00 0.00 C ATOM 323 CG LEU A 158 -8.492 2.308 -2.551 1.00 0.00 C ATOM 324 CD1 LEU A 158 -7.821 3.144 -1.473 1.00 0.00 C ATOM 325 CD2 LEU A 158 -8.908 0.953 -1.995 1.00 0.00 C ATOM 0 H LEU A 158 -8.838 3.612 -5.427 1.00 0.00 H new ATOM 0 HA LEU A 158 -10.359 1.388 -4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -9.417 4.082 -3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -10.487 3.057 -2.372 1.00 0.00 H new ATOM 0 HG LEU A 158 -7.774 2.144 -3.355 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -6.963 2.603 -1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -7.488 4.090 -1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -8.531 3.340 -0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -8.035 0.443 -1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -9.645 1.095 -1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -9.342 0.350 -2.793 1.00 0.00 H new ATOM 337 N ASN A 159 -12.623 2.641 -3.806 1.00 0.00 N ATOM 338 CA ASN A 159 -14.000 3.108 -3.921 1.00 0.00 C ATOM 339 C ASN A 159 -14.302 4.175 -2.873 1.00 0.00 C ATOM 340 O ASN A 159 -13.567 4.328 -1.897 1.00 0.00 O ATOM 341 CB ASN A 159 -14.972 1.936 -3.766 1.00 0.00 C ATOM 342 CG ASN A 159 -14.582 1.007 -2.634 1.00 0.00 C ATOM 343 OD1 ASN A 159 -13.953 1.424 -1.661 1.00 0.00 O ATOM 344 ND2 ASN A 159 -14.954 -0.262 -2.755 1.00 0.00 N ATOM 0 H ASN A 159 -12.458 1.999 -3.031 1.00 0.00 H new ATOM 0 HA ASN A 159 -14.127 3.549 -4.910 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -15.976 2.321 -3.587 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -15.009 1.373 -4.698 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -14.720 -0.934 -2.024 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -15.474 -0.565 -3.578 1.00 0.00 H new ATOM 351 N LYS A 160 -15.388 4.912 -3.082 1.00 0.00 N ATOM 352 CA LYS A 160 -15.789 5.964 -2.156 1.00 0.00 C ATOM 353 C LYS A 160 -16.867 5.465 -1.199 1.00 0.00 C ATOM 354 O LYS A 160 -17.627 6.255 -0.641 1.00 0.00 O ATOM 355 CB LYS A 160 -16.302 7.182 -2.928 1.00 0.00 C ATOM 356 CG LYS A 160 -15.230 7.877 -3.749 1.00 0.00 C ATOM 357 CD LYS A 160 -15.837 8.761 -4.825 1.00 0.00 C ATOM 358 CE LYS A 160 -14.914 8.891 -6.027 1.00 0.00 C ATOM 359 NZ LYS A 160 -15.135 10.168 -6.761 1.00 0.00 N ATOM 0 H LYS A 160 -16.006 4.800 -3.885 1.00 0.00 H new ATOM 0 HA LYS A 160 -14.915 6.252 -1.572 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -17.109 6.868 -3.590 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -16.728 7.896 -2.223 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -14.602 8.480 -3.093 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -14.584 7.131 -4.212 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -16.793 8.345 -5.143 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -16.041 9.749 -4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -13.877 8.837 -5.696 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -15.077 8.051 -6.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -14.487 10.218 -7.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -16.118 10.208 -7.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -14.955 10.970 -6.124 1.00 0.00 H new ATOM 373 N GLN A 161 -16.924 4.150 -1.014 1.00 0.00 N ATOM 374 CA GLN A 161 -17.909 3.547 -0.124 1.00 0.00 C ATOM 375 C GLN A 161 -17.241 2.990 1.129 1.00 0.00 C ATOM 376 O GLN A 161 -17.708 3.217 2.245 1.00 0.00 O ATOM 377 CB GLN A 161 -18.668 2.433 -0.848 1.00 0.00 C ATOM 378 CG GLN A 161 -19.781 1.816 -0.017 1.00 0.00 C ATOM 379 CD GLN A 161 -21.107 2.530 -0.194 1.00 0.00 C ATOM 380 OE1 GLN A 161 -21.313 3.621 0.338 1.00 0.00 O ATOM 381 NE2 GLN A 161 -22.014 1.917 -0.945 1.00 0.00 N ATOM 0 H GLN A 161 -16.300 3.483 -1.468 1.00 0.00 H new ATOM 0 HA GLN A 161 -18.614 4.323 0.175 1.00 0.00 H new ATOM 0 HB2 GLN A 161 -19.092 2.833 -1.769 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -17.964 1.652 -1.134 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -19.897 0.768 -0.294 1.00 0.00 H new ATOM 0 HG3 GLN A 161 -19.498 1.838 1.035 1.00 0.00 H new ATOM 0 HE21 GLN A 161 -21.800 1.013 -1.367 1.00 0.00 H new ATOM 0 HE22 GLN A 161 -22.924 2.350 -1.100 1.00 0.00 H new ATOM 390 N GLN A 162 -16.146 2.262 0.937 1.00 0.00 N ATOM 391 CA GLN A 162 -15.414 1.673 2.052 1.00 0.00 C ATOM 392 C GLN A 162 -14.799 2.756 2.932 1.00 0.00 C ATOM 393 O GLN A 162 -14.827 3.938 2.590 1.00 0.00 O ATOM 394 CB GLN A 162 -14.321 0.737 1.535 1.00 0.00 C ATOM 395 CG GLN A 162 -14.860 -0.491 0.820 1.00 0.00 C ATOM 396 CD GLN A 162 -13.909 -1.670 0.888 1.00 0.00 C ATOM 397 OE1 GLN A 162 -14.161 -2.646 1.597 1.00 0.00 O ATOM 398 NE2 GLN A 162 -12.809 -1.588 0.150 1.00 0.00 N ATOM 0 H GLN A 162 -15.746 2.066 0.019 1.00 0.00 H new ATOM 0 HA GLN A 162 -16.119 1.099 2.653 1.00 0.00 H new ATOM 0 HB2 GLN A 162 -13.674 1.289 0.854 1.00 0.00 H new ATOM 0 HB3 GLN A 162 -13.702 0.417 2.373 1.00 0.00 H new ATOM 0 HG2 GLN A 162 -15.816 -0.774 1.262 1.00 0.00 H new ATOM 0 HG3 GLN A 162 -15.052 -0.244 -0.224 1.00 0.00 H new ATOM 0 HE21 GLN A 162 -12.640 -0.761 -0.423 1.00 0.00 H new ATOM 0 HE22 GLN A 162 -12.133 -2.352 0.156 1.00 0.00 H new ATOM 407 N SER A 163 -14.243 2.345 4.067 1.00 0.00 N ATOM 408 CA SER A 163 -13.624 3.280 4.999 1.00 0.00 C ATOM 409 C SER A 163 -12.336 2.701 5.576 1.00 0.00 C ATOM 410 O SER A 163 -11.919 1.603 5.209 1.00 0.00 O ATOM 411 CB SER A 163 -14.595 3.623 6.131 1.00 0.00 C ATOM 412 OG SER A 163 -15.743 4.288 5.634 1.00 0.00 O ATOM 0 H SER A 163 -14.209 1.370 4.364 1.00 0.00 H new ATOM 0 HA SER A 163 -13.379 4.190 4.452 1.00 0.00 H new ATOM 0 HB2 SER A 163 -14.894 2.711 6.647 1.00 0.00 H new ATOM 0 HB3 SER A 163 -14.094 4.254 6.865 1.00 0.00 H new ATOM 0 HG SER A 163 -16.348 4.495 6.376 1.00 0.00 H new ATOM 418 N GLU A 164 -11.712 3.448 6.481 1.00 0.00 N ATOM 419 CA GLU A 164 -10.471 3.008 7.108 1.00 0.00 C ATOM 420 C GLU A 164 -10.670 1.684 7.839 1.00 0.00 C ATOM 421 O GLU A 164 -9.791 0.822 7.835 1.00 0.00 O ATOM 422 CB GLU A 164 -9.963 4.071 8.085 1.00 0.00 C ATOM 423 CG GLU A 164 -8.451 4.092 8.230 1.00 0.00 C ATOM 424 CD GLU A 164 -7.948 3.079 9.240 1.00 0.00 C ATOM 425 OE1 GLU A 164 -8.319 3.189 10.427 1.00 0.00 O ATOM 426 OE2 GLU A 164 -7.183 2.175 8.842 1.00 0.00 O ATOM 0 H GLU A 164 -12.045 4.359 6.796 1.00 0.00 H new ATOM 0 HA GLU A 164 -9.729 2.862 6.323 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -10.301 5.052 7.750 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -10.411 3.897 9.063 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -7.994 3.891 7.261 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -8.132 5.090 8.532 1.00 0.00 H new ATOM 433 N ASP A 165 -11.831 1.529 8.466 1.00 0.00 N ATOM 434 CA ASP A 165 -12.147 0.310 9.201 1.00 0.00 C ATOM 435 C ASP A 165 -12.109 -0.905 8.280 1.00 0.00 C ATOM 436 O ASP A 165 -11.461 -1.907 8.583 1.00 0.00 O ATOM 437 CB ASP A 165 -13.524 0.427 9.857 1.00 0.00 C ATOM 438 CG ASP A 165 -13.947 -0.855 10.547 1.00 0.00 C ATOM 439 OD1 ASP A 165 -13.085 -1.499 11.181 1.00 0.00 O ATOM 440 OD2 ASP A 165 -15.139 -1.215 10.452 1.00 0.00 O ATOM 0 H ASP A 165 -12.569 2.233 8.480 1.00 0.00 H new ATOM 0 HA ASP A 165 -11.394 0.178 9.978 1.00 0.00 H new ATOM 0 HB2 ASP A 165 -13.509 1.239 10.583 1.00 0.00 H new ATOM 0 HB3 ASP A 165 -14.263 0.690 9.100 1.00 0.00 H new ATOM 445 N ASP A 166 -12.809 -0.810 7.155 1.00 0.00 N ATOM 446 CA ASP A 166 -12.856 -1.901 6.189 1.00 0.00 C ATOM 447 C ASP A 166 -11.456 -2.251 5.696 1.00 0.00 C ATOM 448 O ASP A 166 -11.015 -3.396 5.806 1.00 0.00 O ATOM 449 CB ASP A 166 -13.748 -1.525 5.005 1.00 0.00 C ATOM 450 CG ASP A 166 -15.144 -1.121 5.437 1.00 0.00 C ATOM 451 OD1 ASP A 166 -15.859 -1.973 6.002 1.00 0.00 O ATOM 452 OD2 ASP A 166 -15.521 0.048 5.208 1.00 0.00 O ATOM 0 H ASP A 166 -13.352 0.012 6.890 1.00 0.00 H new ATOM 0 HA ASP A 166 -13.276 -2.775 6.686 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -13.289 -0.704 4.455 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -13.813 -2.370 4.320 1.00 0.00 H new ATOM 457 N VAL A 167 -10.760 -1.258 5.152 1.00 0.00 N ATOM 458 CA VAL A 167 -9.409 -1.461 4.641 1.00 0.00 C ATOM 459 C VAL A 167 -8.455 -1.866 5.759 1.00 0.00 C ATOM 460 O VAL A 167 -7.466 -2.561 5.523 1.00 0.00 O ATOM 461 CB VAL A 167 -8.871 -0.190 3.958 1.00 0.00 C ATOM 462 CG1 VAL A 167 -7.358 -0.259 3.817 1.00 0.00 C ATOM 463 CG2 VAL A 167 -9.532 0.006 2.602 1.00 0.00 C ATOM 0 H VAL A 167 -11.109 -0.305 5.054 1.00 0.00 H new ATOM 0 HA VAL A 167 -9.465 -2.264 3.906 1.00 0.00 H new ATOM 0 HB VAL A 167 -9.115 0.669 4.584 1.00 0.00 H new ATOM 0 HG11 VAL A 167 -6.996 0.648 3.332 1.00 0.00 H new ATOM 0 HG12 VAL A 167 -6.904 -0.349 4.804 1.00 0.00 H new ATOM 0 HG13 VAL A 167 -7.088 -1.126 3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 167 -9.140 0.909 2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 167 -9.321 -0.854 1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 167 -10.610 0.104 2.733 1.00 0.00 H new ATOM 473 N ARG A 168 -8.758 -1.429 6.977 1.00 0.00 N ATOM 474 CA ARG A 168 -7.926 -1.746 8.131 1.00 0.00 C ATOM 475 C ARG A 168 -7.916 -3.248 8.397 1.00 0.00 C ATOM 476 O ARG A 168 -6.856 -3.874 8.439 1.00 0.00 O ATOM 477 CB ARG A 168 -8.431 -1.002 9.369 1.00 0.00 C ATOM 478 CG ARG A 168 -7.834 -1.511 10.671 1.00 0.00 C ATOM 479 CD ARG A 168 -8.465 -0.832 11.876 1.00 0.00 C ATOM 480 NE ARG A 168 -8.007 0.546 12.030 1.00 0.00 N ATOM 481 CZ ARG A 168 -6.843 0.877 12.578 1.00 0.00 C ATOM 482 NH1 ARG A 168 -6.024 -0.066 13.022 1.00 0.00 N ATOM 483 NH2 ARG A 168 -6.497 2.154 12.683 1.00 0.00 N ATOM 0 H ARG A 168 -9.573 -0.854 7.190 1.00 0.00 H new ATOM 0 HA ARG A 168 -6.907 -1.426 7.913 1.00 0.00 H new ATOM 0 HB2 ARG A 168 -8.202 0.058 9.264 1.00 0.00 H new ATOM 0 HB3 ARG A 168 -9.516 -1.090 9.418 1.00 0.00 H new ATOM 0 HG2 ARG A 168 -7.979 -2.589 10.742 1.00 0.00 H new ATOM 0 HG3 ARG A 168 -6.759 -1.333 10.673 1.00 0.00 H new ATOM 0 HD2 ARG A 168 -9.550 -0.844 11.772 1.00 0.00 H new ATOM 0 HD3 ARG A 168 -8.225 -1.397 12.777 1.00 0.00 H new ATOM 0 HE ARG A 168 -8.614 1.296 11.699 1.00 0.00 H new ATOM 0 HH11 ARG A 168 -6.287 -1.048 12.943 1.00 0.00 H new ATOM 0 HH12 ARG A 168 -5.131 0.191 13.442 1.00 0.00 H new ATOM 0 HH21 ARG A 168 -7.125 2.882 12.343 1.00 0.00 H new ATOM 0 HH22 ARG A 168 -5.603 2.407 13.104 1.00 0.00 H new ATOM 497 N ARG A 169 -9.101 -3.821 8.577 1.00 0.00 N ATOM 498 CA ARG A 169 -9.228 -5.249 8.840 1.00 0.00 C ATOM 499 C ARG A 169 -8.698 -6.068 7.667 1.00 0.00 C ATOM 500 O ARG A 169 -7.827 -6.922 7.834 1.00 0.00 O ATOM 501 CB ARG A 169 -10.689 -5.612 9.111 1.00 0.00 C ATOM 502 CG ARG A 169 -11.137 -5.317 10.533 1.00 0.00 C ATOM 503 CD ARG A 169 -12.546 -5.827 10.791 1.00 0.00 C ATOM 504 NE ARG A 169 -13.553 -5.034 10.090 1.00 0.00 N ATOM 505 CZ ARG A 169 -14.861 -5.227 10.219 1.00 0.00 C ATOM 506 NH1 ARG A 169 -15.318 -6.180 11.019 1.00 0.00 N ATOM 507 NH2 ARG A 169 -15.714 -4.464 9.548 1.00 0.00 N ATOM 0 H ARG A 169 -9.988 -3.318 8.545 1.00 0.00 H new ATOM 0 HA ARG A 169 -8.633 -5.484 9.723 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -11.326 -5.063 8.417 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -10.835 -6.673 8.906 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -10.446 -5.781 11.237 1.00 0.00 H new ATOM 0 HG3 ARG A 169 -11.100 -4.242 10.712 1.00 0.00 H new ATOM 0 HD2 ARG A 169 -12.619 -6.867 10.474 1.00 0.00 H new ATOM 0 HD3 ARG A 169 -12.749 -5.806 11.862 1.00 0.00 H new ATOM 0 HE ARG A 169 -13.234 -4.292 9.467 1.00 0.00 H new ATOM 0 HH11 ARG A 169 -14.665 -6.767 11.537 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -16.323 -6.326 11.116 1.00 0.00 H new ATOM 0 HH21 ARG A 169 -15.366 -3.729 8.933 1.00 0.00 H new ATOM 0 HH22 ARG A 169 -16.718 -4.613 9.647 1.00 0.00 H new ATOM 521 N LEU A 170 -9.231 -5.802 6.479 1.00 0.00 N ATOM 522 CA LEU A 170 -8.812 -6.514 5.276 1.00 0.00 C ATOM 523 C LEU A 170 -7.295 -6.659 5.230 1.00 0.00 C ATOM 524 O LEU A 170 -6.764 -7.768 5.295 1.00 0.00 O ATOM 525 CB LEU A 170 -9.304 -5.780 4.028 1.00 0.00 C ATOM 526 CG LEU A 170 -9.359 -6.605 2.741 1.00 0.00 C ATOM 527 CD1 LEU A 170 -10.607 -7.473 2.717 1.00 0.00 C ATOM 528 CD2 LEU A 170 -9.315 -5.695 1.522 1.00 0.00 C ATOM 0 H LEU A 170 -9.954 -5.099 6.323 1.00 0.00 H new ATOM 0 HA LEU A 170 -9.253 -7.511 5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 170 -10.302 -5.391 4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 170 -8.656 -4.920 3.857 1.00 0.00 H new ATOM 0 HG LEU A 170 -8.487 -7.258 2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 170 -10.629 -8.053 1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 170 -10.596 -8.150 3.571 1.00 0.00 H new ATOM 0 HD13 LEU A 170 -11.492 -6.839 2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 170 -9.355 -6.299 0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 170 -10.168 -5.016 1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 170 -8.391 -5.117 1.532 1.00 0.00 H new ATOM 540 N PHE A 171 -6.601 -5.531 5.118 1.00 0.00 N ATOM 541 CA PHE A 171 -5.143 -5.532 5.064 1.00 0.00 C ATOM 542 C PHE A 171 -4.557 -6.347 6.213 1.00 0.00 C ATOM 543 O PHE A 171 -3.991 -7.419 6.001 1.00 0.00 O ATOM 544 CB PHE A 171 -4.609 -4.099 5.116 1.00 0.00 C ATOM 545 CG PHE A 171 -4.654 -3.395 3.790 1.00 0.00 C ATOM 546 CD1 PHE A 171 -5.855 -3.227 3.120 1.00 0.00 C ATOM 547 CD2 PHE A 171 -3.495 -2.900 3.214 1.00 0.00 C ATOM 548 CE1 PHE A 171 -5.899 -2.580 1.900 1.00 0.00 C ATOM 549 CE2 PHE A 171 -3.532 -2.252 1.994 1.00 0.00 C ATOM 550 CZ PHE A 171 -4.736 -2.090 1.336 1.00 0.00 C ATOM 0 H PHE A 171 -7.024 -4.605 5.063 1.00 0.00 H new ATOM 0 HA PHE A 171 -4.839 -5.992 4.124 1.00 0.00 H new ATOM 0 HB2 PHE A 171 -5.190 -3.529 5.841 1.00 0.00 H new ATOM 0 HB3 PHE A 171 -3.580 -4.116 5.475 1.00 0.00 H new ATOM 0 HD1 PHE A 171 -6.767 -3.606 3.556 1.00 0.00 H new ATOM 0 HD2 PHE A 171 -2.551 -3.022 3.725 1.00 0.00 H new ATOM 0 HE1 PHE A 171 -6.842 -2.457 1.387 1.00 0.00 H new ATOM 0 HE2 PHE A 171 -2.621 -1.873 1.555 1.00 0.00 H new ATOM 0 HZ PHE A 171 -4.768 -1.582 0.384 1.00 0.00 H new ATOM 560 N GLU A 172 -4.697 -5.830 7.430 1.00 0.00 N ATOM 561 CA GLU A 172 -4.180 -6.509 8.612 1.00 0.00 C ATOM 562 C GLU A 172 -4.548 -7.990 8.593 1.00 0.00 C ATOM 563 O GLU A 172 -3.855 -8.820 9.181 1.00 0.00 O ATOM 564 CB GLU A 172 -4.724 -5.853 9.883 1.00 0.00 C ATOM 565 CG GLU A 172 -6.029 -6.461 10.370 1.00 0.00 C ATOM 566 CD GLU A 172 -6.458 -5.915 11.719 1.00 0.00 C ATOM 567 OE1 GLU A 172 -6.558 -4.678 11.855 1.00 0.00 O ATOM 568 OE2 GLU A 172 -6.695 -6.727 12.638 1.00 0.00 O ATOM 0 H GLU A 172 -5.164 -4.944 7.623 1.00 0.00 H new ATOM 0 HA GLU A 172 -3.093 -6.422 8.604 1.00 0.00 H new ATOM 0 HB2 GLU A 172 -3.977 -5.935 10.673 1.00 0.00 H new ATOM 0 HB3 GLU A 172 -4.875 -4.790 9.697 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -6.812 -6.266 9.637 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -5.918 -7.543 10.438 1.00 0.00 H new ATOM 575 N ALA A 173 -5.644 -8.313 7.914 1.00 0.00 N ATOM 576 CA ALA A 173 -6.104 -9.693 7.817 1.00 0.00 C ATOM 577 C ALA A 173 -4.967 -10.622 7.406 1.00 0.00 C ATOM 578 O ALA A 173 -5.040 -11.835 7.605 1.00 0.00 O ATOM 579 CB ALA A 173 -7.256 -9.797 6.829 1.00 0.00 C ATOM 0 H ALA A 173 -6.230 -7.638 7.423 1.00 0.00 H new ATOM 0 HA ALA A 173 -6.455 -10.003 8.801 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -7.589 -10.833 6.767 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -8.082 -9.170 7.165 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -6.924 -9.463 5.846 1.00 0.00 H new ATOM 585 N PHE A 174 -3.917 -10.047 6.829 1.00 0.00 N ATOM 586 CA PHE A 174 -2.765 -10.825 6.388 1.00 0.00 C ATOM 587 C PHE A 174 -1.528 -10.480 7.212 1.00 0.00 C ATOM 588 O PHE A 174 -1.106 -11.253 8.071 1.00 0.00 O ATOM 589 CB PHE A 174 -2.490 -10.571 4.904 1.00 0.00 C ATOM 590 CG PHE A 174 -3.622 -10.980 4.007 1.00 0.00 C ATOM 591 CD1 PHE A 174 -3.705 -12.274 3.518 1.00 0.00 C ATOM 592 CD2 PHE A 174 -4.605 -10.070 3.651 1.00 0.00 C ATOM 593 CE1 PHE A 174 -4.746 -12.652 2.691 1.00 0.00 C ATOM 594 CE2 PHE A 174 -5.649 -10.442 2.825 1.00 0.00 C ATOM 595 CZ PHE A 174 -5.719 -11.735 2.345 1.00 0.00 C ATOM 0 H PHE A 174 -3.840 -9.045 6.656 1.00 0.00 H new ATOM 0 HA PHE A 174 -2.994 -11.881 6.533 1.00 0.00 H new ATOM 0 HB2 PHE A 174 -2.285 -9.511 4.757 1.00 0.00 H new ATOM 0 HB3 PHE A 174 -1.591 -11.113 4.611 1.00 0.00 H new ATOM 0 HD1 PHE A 174 -2.947 -12.996 3.786 1.00 0.00 H new ATOM 0 HD2 PHE A 174 -4.555 -9.058 4.024 1.00 0.00 H new ATOM 0 HE1 PHE A 174 -4.798 -13.663 2.316 1.00 0.00 H new ATOM 0 HE2 PHE A 174 -6.408 -9.723 2.556 1.00 0.00 H new ATOM 0 HZ PHE A 174 -6.534 -12.029 1.700 1.00 0.00 H new ATOM 605 N GLY A 175 -0.951 -9.313 6.943 1.00 0.00 N ATOM 606 CA GLY A 175 0.232 -8.886 7.667 1.00 0.00 C ATOM 607 C GLY A 175 -0.060 -7.766 8.646 1.00 0.00 C ATOM 608 O GLY A 175 -0.979 -6.975 8.438 1.00 0.00 O ATOM 0 H GLY A 175 -1.282 -8.656 6.237 1.00 0.00 H new ATOM 0 HA2 GLY A 175 0.651 -9.736 8.206 1.00 0.00 H new ATOM 0 HA3 GLY A 175 0.989 -8.555 6.956 1.00 0.00 H new ATOM 612 N ASN A 176 0.724 -7.699 9.717 1.00 0.00 N ATOM 613 CA ASN A 176 0.543 -6.668 10.733 1.00 0.00 C ATOM 614 C ASN A 176 0.758 -5.278 10.143 1.00 0.00 C ATOM 615 O ASN A 176 1.737 -5.038 9.434 1.00 0.00 O ATOM 616 CB ASN A 176 1.509 -6.895 11.897 1.00 0.00 C ATOM 617 CG ASN A 176 1.090 -8.056 12.779 1.00 0.00 C ATOM 618 OD1 ASN A 176 0.306 -7.889 13.713 1.00 0.00 O ATOM 619 ND2 ASN A 176 1.613 -9.241 12.485 1.00 0.00 N ATOM 0 H ASN A 176 1.490 -8.346 9.904 1.00 0.00 H new ATOM 0 HA ASN A 176 -0.481 -6.732 11.101 1.00 0.00 H new ATOM 0 HB2 ASN A 176 2.508 -7.083 11.505 1.00 0.00 H new ATOM 0 HB3 ASN A 176 1.568 -5.988 12.499 1.00 0.00 H new ATOM 0 HD21 ASN A 176 1.368 -10.059 13.043 1.00 0.00 H new ATOM 0 HD22 ASN A 176 2.259 -9.333 11.701 1.00 0.00 H new ATOM 626 N ILE A 177 -0.162 -4.366 10.439 1.00 0.00 N ATOM 627 CA ILE A 177 -0.071 -3.000 9.939 1.00 0.00 C ATOM 628 C ILE A 177 0.657 -2.099 10.931 1.00 0.00 C ATOM 629 O ILE A 177 0.446 -2.192 12.139 1.00 0.00 O ATOM 630 CB ILE A 177 -1.466 -2.411 9.655 1.00 0.00 C ATOM 631 CG1 ILE A 177 -2.123 -3.142 8.483 1.00 0.00 C ATOM 632 CG2 ILE A 177 -1.362 -0.921 9.368 1.00 0.00 C ATOM 633 CD1 ILE A 177 -3.547 -2.705 8.220 1.00 0.00 C ATOM 0 H ILE A 177 -0.979 -4.548 11.022 1.00 0.00 H new ATOM 0 HA ILE A 177 0.494 -3.041 9.008 1.00 0.00 H new ATOM 0 HB ILE A 177 -2.090 -2.548 10.538 1.00 0.00 H new ATOM 0 HG12 ILE A 177 -1.529 -2.978 7.584 1.00 0.00 H new ATOM 0 HG13 ILE A 177 -2.111 -4.214 8.681 1.00 0.00 H new ATOM 0 HG21 ILE A 177 -2.355 -0.519 9.169 1.00 0.00 H new ATOM 0 HG22 ILE A 177 -0.931 -0.413 10.231 1.00 0.00 H new ATOM 0 HG23 ILE A 177 -0.725 -0.762 8.498 1.00 0.00 H new ATOM 0 HD11 ILE A 177 -3.949 -3.265 7.376 1.00 0.00 H new ATOM 0 HD12 ILE A 177 -4.155 -2.895 9.104 1.00 0.00 H new ATOM 0 HD13 ILE A 177 -3.564 -1.640 7.990 1.00 0.00 H new ATOM 645 N GLU A 178 1.513 -1.225 10.410 1.00 0.00 N ATOM 646 CA GLU A 178 2.271 -0.306 11.250 1.00 0.00 C ATOM 647 C GLU A 178 1.636 1.082 11.250 1.00 0.00 C ATOM 648 O GLU A 178 1.724 1.815 12.234 1.00 0.00 O ATOM 649 CB GLU A 178 3.720 -0.215 10.766 1.00 0.00 C ATOM 650 CG GLU A 178 4.715 0.076 11.877 1.00 0.00 C ATOM 651 CD GLU A 178 4.717 1.535 12.291 1.00 0.00 C ATOM 652 OE1 GLU A 178 5.453 2.327 11.666 1.00 0.00 O ATOM 653 OE2 GLU A 178 3.983 1.884 13.239 1.00 0.00 O ATOM 0 H GLU A 178 1.698 -1.134 9.411 1.00 0.00 H new ATOM 0 HA GLU A 178 2.259 -0.692 12.269 1.00 0.00 H new ATOM 0 HB2 GLU A 178 3.992 -1.153 10.282 1.00 0.00 H new ATOM 0 HB3 GLU A 178 3.793 0.567 10.010 1.00 0.00 H new ATOM 0 HG2 GLU A 178 4.479 -0.543 12.742 1.00 0.00 H new ATOM 0 HG3 GLU A 178 5.715 -0.206 11.547 1.00 0.00 H new ATOM 660 N GLU A 179 0.996 1.433 10.139 1.00 0.00 N ATOM 661 CA GLU A 179 0.348 2.733 10.010 1.00 0.00 C ATOM 662 C GLU A 179 -0.617 2.745 8.828 1.00 0.00 C ATOM 663 O GLU A 179 -0.339 2.158 7.781 1.00 0.00 O ATOM 664 CB GLU A 179 1.394 3.836 9.840 1.00 0.00 C ATOM 665 CG GLU A 179 0.805 5.179 9.447 1.00 0.00 C ATOM 666 CD GLU A 179 1.867 6.233 9.200 1.00 0.00 C ATOM 667 OE1 GLU A 179 2.397 6.783 10.188 1.00 0.00 O ATOM 668 OE2 GLU A 179 2.167 6.508 8.020 1.00 0.00 O ATOM 0 H GLU A 179 0.912 0.836 9.316 1.00 0.00 H new ATOM 0 HA GLU A 179 -0.219 2.919 10.922 1.00 0.00 H new ATOM 0 HB2 GLU A 179 1.945 3.950 10.774 1.00 0.00 H new ATOM 0 HB3 GLU A 179 2.114 3.529 9.081 1.00 0.00 H new ATOM 0 HG2 GLU A 179 0.203 5.058 8.547 1.00 0.00 H new ATOM 0 HG3 GLU A 179 0.135 5.522 10.235 1.00 0.00 H new ATOM 675 N CYS A 180 -1.749 3.416 9.002 1.00 0.00 N ATOM 676 CA CYS A 180 -2.756 3.504 7.951 1.00 0.00 C ATOM 677 C CYS A 180 -3.311 4.921 7.846 1.00 0.00 C ATOM 678 O CYS A 180 -3.567 5.576 8.858 1.00 0.00 O ATOM 679 CB CYS A 180 -3.892 2.517 8.220 1.00 0.00 C ATOM 680 SG CYS A 180 -3.640 0.884 7.486 1.00 0.00 S ATOM 0 H CYS A 180 -1.993 3.908 9.862 1.00 0.00 H new ATOM 0 HA CYS A 180 -2.280 3.249 7.004 1.00 0.00 H new ATOM 0 HB2 CYS A 180 -4.014 2.404 9.297 1.00 0.00 H new ATOM 0 HB3 CYS A 180 -4.822 2.936 7.836 1.00 0.00 H new ATOM 0 HG CYS A 180 -4.734 0.190 7.586 1.00 0.00 H new ATOM 686 N THR A 181 -3.493 5.391 6.616 1.00 0.00 N ATOM 687 CA THR A 181 -4.015 6.731 6.379 1.00 0.00 C ATOM 688 C THR A 181 -4.777 6.799 5.061 1.00 0.00 C ATOM 689 O THR A 181 -4.300 6.321 4.032 1.00 0.00 O ATOM 690 CB THR A 181 -2.886 7.778 6.361 1.00 0.00 C ATOM 691 OG1 THR A 181 -2.142 7.718 7.583 1.00 0.00 O ATOM 692 CG2 THR A 181 -3.449 9.179 6.173 1.00 0.00 C ATOM 0 H THR A 181 -3.286 4.863 5.768 1.00 0.00 H new ATOM 0 HA THR A 181 -4.695 6.955 7.201 1.00 0.00 H new ATOM 0 HB THR A 181 -2.226 7.553 5.523 1.00 0.00 H new ATOM 0 HG1 THR A 181 -1.425 8.386 7.563 1.00 0.00 H new ATOM 0 HG21 THR A 181 -2.632 9.901 6.164 1.00 0.00 H new ATOM 0 HG22 THR A 181 -3.989 9.230 5.228 1.00 0.00 H new ATOM 0 HG23 THR A 181 -4.129 9.411 6.993 1.00 0.00 H new ATOM 700 N ILE A 182 -5.964 7.396 5.099 1.00 0.00 N ATOM 701 CA ILE A 182 -6.791 7.528 3.906 1.00 0.00 C ATOM 702 C ILE A 182 -6.639 8.911 3.282 1.00 0.00 C ATOM 703 O ILE A 182 -6.508 9.912 3.988 1.00 0.00 O ATOM 704 CB ILE A 182 -8.278 7.280 4.222 1.00 0.00 C ATOM 705 CG1 ILE A 182 -8.455 5.930 4.920 1.00 0.00 C ATOM 706 CG2 ILE A 182 -9.106 7.337 2.947 1.00 0.00 C ATOM 707 CD1 ILE A 182 -7.962 4.758 4.101 1.00 0.00 C ATOM 0 H ILE A 182 -6.374 7.796 5.943 1.00 0.00 H new ATOM 0 HA ILE A 182 -6.447 6.773 3.199 1.00 0.00 H new ATOM 0 HB ILE A 182 -8.628 8.063 4.894 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -7.922 5.949 5.870 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -9.511 5.784 5.150 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -10.155 7.160 3.186 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -8.999 8.320 2.488 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -8.758 6.572 2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -8.119 3.834 4.657 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -8.512 4.714 3.161 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -6.899 4.881 3.893 1.00 0.00 H new ATOM 719 N LEU A 183 -6.659 8.960 1.955 1.00 0.00 N ATOM 720 CA LEU A 183 -6.525 10.221 1.233 1.00 0.00 C ATOM 721 C LEU A 183 -7.894 10.785 0.864 1.00 0.00 C ATOM 722 O LEU A 183 -8.707 10.105 0.238 1.00 0.00 O ATOM 723 CB LEU A 183 -5.684 10.023 -0.029 1.00 0.00 C ATOM 724 CG LEU A 183 -4.182 9.836 0.188 1.00 0.00 C ATOM 725 CD1 LEU A 183 -3.527 9.278 -1.066 1.00 0.00 C ATOM 726 CD2 LEU A 183 -3.534 11.153 0.590 1.00 0.00 C ATOM 0 H LEU A 183 -6.767 8.141 1.356 1.00 0.00 H new ATOM 0 HA LEU A 183 -6.023 10.934 1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -6.065 9.152 -0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -5.832 10.885 -0.679 1.00 0.00 H new ATOM 0 HG LEU A 183 -4.037 9.121 0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -2.458 9.152 -0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -3.972 8.313 -1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -3.681 9.969 -1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -2.465 11.002 0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -3.689 11.890 -0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -3.983 11.512 1.516 1.00 0.00 H new ATOM 816 N SER A 190 -13.426 11.109 -0.708 1.00 0.00 N ATOM 817 CA SER A 190 -12.220 10.306 -0.872 1.00 0.00 C ATOM 818 C SER A 190 -11.788 10.267 -2.335 1.00 0.00 C ATOM 819 O SER A 190 -12.620 10.180 -3.238 1.00 0.00 O ATOM 820 CB SER A 190 -12.454 8.884 -0.359 1.00 0.00 C ATOM 821 OG SER A 190 -11.261 8.121 -0.410 1.00 0.00 O ATOM 0 HA SER A 190 -11.424 10.768 -0.288 1.00 0.00 H new ATOM 0 HB2 SER A 190 -12.823 8.920 0.666 1.00 0.00 H new ATOM 0 HB3 SER A 190 -13.225 8.400 -0.959 1.00 0.00 H new ATOM 0 HG SER A 190 -10.495 8.697 -0.205 1.00 0.00 H new ATOM 827 N LYS A 191 -10.481 10.332 -2.561 1.00 0.00 N ATOM 828 CA LYS A 191 -9.935 10.303 -3.913 1.00 0.00 C ATOM 829 C LYS A 191 -9.557 8.882 -4.317 1.00 0.00 C ATOM 830 O LYS A 191 -8.552 8.665 -4.993 1.00 0.00 O ATOM 831 CB LYS A 191 -8.710 11.215 -4.011 1.00 0.00 C ATOM 832 CG LYS A 191 -9.055 12.670 -4.279 1.00 0.00 C ATOM 833 CD LYS A 191 -7.809 13.498 -4.545 1.00 0.00 C ATOM 834 CE LYS A 191 -8.140 14.775 -5.303 1.00 0.00 C ATOM 835 NZ LYS A 191 -6.913 15.489 -5.751 1.00 0.00 N ATOM 0 H LYS A 191 -9.779 10.405 -1.825 1.00 0.00 H new ATOM 0 HA LYS A 191 -10.704 10.664 -4.596 1.00 0.00 H new ATOM 0 HB2 LYS A 191 -8.144 11.150 -3.082 1.00 0.00 H new ATOM 0 HB3 LYS A 191 -8.060 10.852 -4.807 1.00 0.00 H new ATOM 0 HG2 LYS A 191 -9.725 12.734 -5.136 1.00 0.00 H new ATOM 0 HG3 LYS A 191 -9.591 13.081 -3.424 1.00 0.00 H new ATOM 0 HD2 LYS A 191 -7.329 13.749 -3.599 1.00 0.00 H new ATOM 0 HD3 LYS A 191 -7.094 12.908 -5.119 1.00 0.00 H new ATOM 0 HE2 LYS A 191 -8.756 14.534 -6.169 1.00 0.00 H new ATOM 0 HE3 LYS A 191 -8.730 15.433 -4.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 191 -7.182 16.353 -6.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 191 -6.337 15.742 -4.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 191 -6.362 14.871 -6.380 1.00 0.00 H new ATOM 849 N GLY A 192 -10.370 7.916 -3.898 1.00 0.00 N ATOM 850 CA GLY A 192 -10.104 6.528 -4.227 1.00 0.00 C ATOM 851 C GLY A 192 -8.641 6.164 -4.067 1.00 0.00 C ATOM 852 O GLY A 192 -8.079 5.446 -4.894 1.00 0.00 O ATOM 0 H GLY A 192 -11.208 8.070 -3.337 1.00 0.00 H new ATOM 0 HA2 GLY A 192 -10.707 5.884 -3.587 1.00 0.00 H new ATOM 0 HA3 GLY A 192 -10.413 6.336 -5.255 1.00 0.00 H new ATOM 856 N CYS A 193 -8.022 6.662 -3.002 1.00 0.00 N ATOM 857 CA CYS A 193 -6.615 6.388 -2.737 1.00 0.00 C ATOM 858 C CYS A 193 -6.331 6.396 -1.239 1.00 0.00 C ATOM 859 O CYS A 193 -7.008 7.081 -0.473 1.00 0.00 O ATOM 860 CB CYS A 193 -5.731 7.419 -3.441 1.00 0.00 C ATOM 861 SG CYS A 193 -6.288 9.127 -3.241 1.00 0.00 S ATOM 0 H CYS A 193 -8.473 7.258 -2.308 1.00 0.00 H new ATOM 0 HA CYS A 193 -6.385 5.396 -3.126 1.00 0.00 H new ATOM 0 HB2 CYS A 193 -4.714 7.332 -3.058 1.00 0.00 H new ATOM 0 HB3 CYS A 193 -5.692 7.183 -4.504 1.00 0.00 H new ATOM 0 HG CYS A 193 -7.129 9.423 -4.187 1.00 0.00 H new ATOM 867 N ALA A 194 -5.327 5.629 -0.827 1.00 0.00 N ATOM 868 CA ALA A 194 -4.954 5.548 0.580 1.00 0.00 C ATOM 869 C ALA A 194 -3.535 5.014 0.741 1.00 0.00 C ATOM 870 O ALA A 194 -3.052 4.245 -0.089 1.00 0.00 O ATOM 871 CB ALA A 194 -5.940 4.671 1.337 1.00 0.00 C ATOM 0 H ALA A 194 -4.757 5.055 -1.448 1.00 0.00 H new ATOM 0 HA ALA A 194 -4.985 6.554 0.998 1.00 0.00 H new ATOM 0 HB1 ALA A 194 -5.650 4.619 2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 194 -6.940 5.096 1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 194 -5.937 3.668 0.910 1.00 0.00 H new ATOM 877 N PHE A 195 -2.871 5.428 1.816 1.00 0.00 N ATOM 878 CA PHE A 195 -1.506 4.992 2.086 1.00 0.00 C ATOM 879 C PHE A 195 -1.466 4.028 3.267 1.00 0.00 C ATOM 880 O PHE A 195 -1.799 4.394 4.394 1.00 0.00 O ATOM 881 CB PHE A 195 -0.609 6.200 2.368 1.00 0.00 C ATOM 882 CG PHE A 195 -0.295 7.013 1.145 1.00 0.00 C ATOM 883 CD1 PHE A 195 0.435 6.466 0.102 1.00 0.00 C ATOM 884 CD2 PHE A 195 -0.731 8.323 1.037 1.00 0.00 C ATOM 885 CE1 PHE A 195 0.726 7.212 -1.024 1.00 0.00 C ATOM 886 CE2 PHE A 195 -0.444 9.075 -0.087 1.00 0.00 C ATOM 887 CZ PHE A 195 0.285 8.517 -1.120 1.00 0.00 C ATOM 0 H PHE A 195 -3.256 6.065 2.514 1.00 0.00 H new ATOM 0 HA PHE A 195 -1.136 4.471 1.203 1.00 0.00 H new ATOM 0 HB2 PHE A 195 -1.096 6.840 3.104 1.00 0.00 H new ATOM 0 HB3 PHE A 195 0.324 5.854 2.813 1.00 0.00 H new ATOM 0 HD1 PHE A 195 0.780 5.445 0.170 1.00 0.00 H new ATOM 0 HD2 PHE A 195 -1.302 8.763 1.841 1.00 0.00 H new ATOM 0 HE1 PHE A 195 1.298 6.775 -1.829 1.00 0.00 H new ATOM 0 HE2 PHE A 195 -0.789 10.096 -0.158 1.00 0.00 H new ATOM 0 HZ PHE A 195 0.509 9.101 -2.001 1.00 0.00 H new ATOM 897 N VAL A 196 -1.057 2.791 3.000 1.00 0.00 N ATOM 898 CA VAL A 196 -0.973 1.773 4.040 1.00 0.00 C ATOM 899 C VAL A 196 0.478 1.429 4.356 1.00 0.00 C ATOM 900 O VAL A 196 1.341 1.459 3.478 1.00 0.00 O ATOM 901 CB VAL A 196 -1.716 0.488 3.629 1.00 0.00 C ATOM 902 CG1 VAL A 196 -1.729 -0.512 4.775 1.00 0.00 C ATOM 903 CG2 VAL A 196 -3.132 0.813 3.178 1.00 0.00 C ATOM 0 H VAL A 196 -0.779 2.470 2.072 1.00 0.00 H new ATOM 0 HA VAL A 196 -1.447 2.189 4.929 1.00 0.00 H new ATOM 0 HB VAL A 196 -1.187 0.036 2.790 1.00 0.00 H new ATOM 0 HG11 VAL A 196 -2.258 -1.413 4.466 1.00 0.00 H new ATOM 0 HG12 VAL A 196 -0.705 -0.768 5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 196 -2.233 -0.073 5.636 1.00 0.00 H new ATOM 0 HG21 VAL A 196 -3.643 -0.106 2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 196 -3.674 1.289 3.995 1.00 0.00 H new ATOM 0 HG23 VAL A 196 -3.096 1.489 2.324 1.00 0.00 H new ATOM 913 N LYS A 197 0.742 1.100 5.617 1.00 0.00 N ATOM 914 CA LYS A 197 2.088 0.748 6.050 1.00 0.00 C ATOM 915 C LYS A 197 2.093 -0.597 6.771 1.00 0.00 C ATOM 916 O LYS A 197 1.056 -1.063 7.243 1.00 0.00 O ATOM 917 CB LYS A 197 2.650 1.834 6.971 1.00 0.00 C ATOM 918 CG LYS A 197 4.158 1.764 7.143 1.00 0.00 C ATOM 919 CD LYS A 197 4.648 2.770 8.172 1.00 0.00 C ATOM 920 CE LYS A 197 6.145 3.012 8.045 1.00 0.00 C ATOM 921 NZ LYS A 197 6.504 3.574 6.713 1.00 0.00 N ATOM 0 H LYS A 197 0.040 1.070 6.357 1.00 0.00 H new ATOM 0 HA LYS A 197 2.719 0.669 5.165 1.00 0.00 H new ATOM 0 HB2 LYS A 197 2.383 2.812 6.571 1.00 0.00 H new ATOM 0 HB3 LYS A 197 2.177 1.750 7.949 1.00 0.00 H new ATOM 0 HG2 LYS A 197 4.444 0.758 7.451 1.00 0.00 H new ATOM 0 HG3 LYS A 197 4.644 1.955 6.186 1.00 0.00 H new ATOM 0 HD2 LYS A 197 4.114 3.712 8.045 1.00 0.00 H new ATOM 0 HD3 LYS A 197 4.421 2.407 9.174 1.00 0.00 H new ATOM 0 HE2 LYS A 197 6.470 3.697 8.828 1.00 0.00 H new ATOM 0 HE3 LYS A 197 6.679 2.075 8.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 7.385 4.121 6.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 6.638 2.798 6.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 5.739 4.196 6.381 1.00 0.00 H new ATOM 935 N TYR A 198 3.267 -1.214 6.852 1.00 0.00 N ATOM 936 CA TYR A 198 3.406 -2.506 7.514 1.00 0.00 C ATOM 937 C TYR A 198 4.665 -2.544 8.375 1.00 0.00 C ATOM 938 O TYR A 198 5.549 -1.698 8.240 1.00 0.00 O ATOM 939 CB TYR A 198 3.448 -3.631 6.479 1.00 0.00 C ATOM 940 CG TYR A 198 2.082 -4.061 5.996 1.00 0.00 C ATOM 941 CD1 TYR A 198 1.387 -3.309 5.056 1.00 0.00 C ATOM 942 CD2 TYR A 198 1.485 -5.219 6.478 1.00 0.00 C ATOM 943 CE1 TYR A 198 0.138 -3.697 4.612 1.00 0.00 C ATOM 944 CE2 TYR A 198 0.237 -5.616 6.038 1.00 0.00 C ATOM 945 CZ TYR A 198 -0.433 -4.852 5.106 1.00 0.00 C ATOM 946 OH TYR A 198 -1.676 -5.243 4.665 1.00 0.00 O ATOM 0 H TYR A 198 4.135 -0.841 6.468 1.00 0.00 H new ATOM 0 HA TYR A 198 2.541 -2.649 8.161 1.00 0.00 H new ATOM 0 HB2 TYR A 198 4.040 -3.305 5.624 1.00 0.00 H new ATOM 0 HB3 TYR A 198 3.959 -4.492 6.911 1.00 0.00 H new ATOM 0 HD1 TYR A 198 1.832 -2.405 4.666 1.00 0.00 H new ATOM 0 HD2 TYR A 198 2.006 -5.819 7.209 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -0.389 -3.100 3.882 1.00 0.00 H new ATOM 0 HE2 TYR A 198 -0.212 -6.520 6.422 1.00 0.00 H new ATOM 0 HH TYR A 198 -1.853 -4.843 3.788 1.00 0.00 H new ATOM 956 N SER A 199 4.739 -3.532 9.261 1.00 0.00 N ATOM 957 CA SER A 199 5.887 -3.680 10.147 1.00 0.00 C ATOM 958 C SER A 199 7.114 -4.151 9.372 1.00 0.00 C ATOM 959 O SER A 199 8.232 -3.700 9.624 1.00 0.00 O ATOM 960 CB SER A 199 5.568 -4.670 11.269 1.00 0.00 C ATOM 961 OG SER A 199 6.664 -4.804 12.158 1.00 0.00 O ATOM 0 H SER A 199 4.017 -4.242 9.384 1.00 0.00 H new ATOM 0 HA SER A 199 6.106 -2.705 10.583 1.00 0.00 H new ATOM 0 HB2 SER A 199 4.690 -4.331 11.818 1.00 0.00 H new ATOM 0 HB3 SER A 199 5.322 -5.642 10.842 1.00 0.00 H new ATOM 0 HG SER A 199 6.434 -5.441 12.867 1.00 0.00 H new ATOM 967 N SER A 200 6.897 -5.060 8.427 1.00 0.00 N ATOM 968 CA SER A 200 7.985 -5.595 7.617 1.00 0.00 C ATOM 969 C SER A 200 7.583 -5.664 6.146 1.00 0.00 C ATOM 970 O SER A 200 6.425 -5.439 5.796 1.00 0.00 O ATOM 971 CB SER A 200 8.382 -6.986 8.114 1.00 0.00 C ATOM 972 OG SER A 200 9.722 -7.289 7.765 1.00 0.00 O ATOM 0 H SER A 200 5.978 -5.441 8.203 1.00 0.00 H new ATOM 0 HA SER A 200 8.840 -4.925 7.712 1.00 0.00 H new ATOM 0 HB2 SER A 200 8.265 -7.036 9.197 1.00 0.00 H new ATOM 0 HB3 SER A 200 7.714 -7.733 7.686 1.00 0.00 H new ATOM 0 HG SER A 200 9.952 -8.182 8.095 1.00 0.00 H new ATOM 978 N HIS A 201 8.551 -5.976 5.290 1.00 0.00 N ATOM 979 CA HIS A 201 8.300 -6.076 3.856 1.00 0.00 C ATOM 980 C HIS A 201 7.433 -7.290 3.540 1.00 0.00 C ATOM 981 O HIS A 201 6.365 -7.164 2.941 1.00 0.00 O ATOM 982 CB HIS A 201 9.620 -6.163 3.091 1.00 0.00 C ATOM 983 CG HIS A 201 9.446 -6.281 1.608 1.00 0.00 C ATOM 984 ND1 HIS A 201 9.773 -7.418 0.900 1.00 0.00 N ATOM 985 CD2 HIS A 201 8.974 -5.396 0.699 1.00 0.00 C ATOM 986 CE1 HIS A 201 9.512 -7.227 -0.381 1.00 0.00 C ATOM 987 NE2 HIS A 201 9.025 -6.008 -0.530 1.00 0.00 N ATOM 0 H HIS A 201 9.515 -6.164 5.564 1.00 0.00 H new ATOM 0 HA HIS A 201 7.766 -5.179 3.542 1.00 0.00 H new ATOM 0 HB2 HIS A 201 10.216 -5.277 3.309 1.00 0.00 H new ATOM 0 HB3 HIS A 201 10.184 -7.023 3.452 1.00 0.00 H new ATOM 0 HD2 HIS A 201 8.623 -4.395 0.902 1.00 0.00 H new ATOM 0 HE1 HIS A 201 9.670 -7.945 -1.172 1.00 0.00 H new ATOM 0 HE2 HIS A 201 8.734 -5.589 -1.414 1.00 0.00 H new ATOM 995 N ALA A 202 7.900 -8.467 3.944 1.00 0.00 N ATOM 996 CA ALA A 202 7.167 -9.703 3.705 1.00 0.00 C ATOM 997 C ALA A 202 5.663 -9.485 3.836 1.00 0.00 C ATOM 998 O ALA A 202 4.914 -9.679 2.880 1.00 0.00 O ATOM 999 CB ALA A 202 7.630 -10.787 4.668 1.00 0.00 C ATOM 0 H ALA A 202 8.783 -8.590 4.439 1.00 0.00 H new ATOM 0 HA ALA A 202 7.374 -10.026 2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 202 7.074 -11.705 4.478 1.00 0.00 H new ATOM 0 HB2 ALA A 202 8.695 -10.972 4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 202 7.454 -10.462 5.693 1.00 0.00 H new ATOM 1005 N GLU A 203 5.230 -9.080 5.026 1.00 0.00 N ATOM 1006 CA GLU A 203 3.815 -8.837 5.281 1.00 0.00 C ATOM 1007 C GLU A 203 3.200 -7.990 4.170 1.00 0.00 C ATOM 1008 O GLU A 203 2.161 -8.340 3.611 1.00 0.00 O ATOM 1009 CB GLU A 203 3.630 -8.140 6.630 1.00 0.00 C ATOM 1010 CG GLU A 203 3.603 -9.097 7.810 1.00 0.00 C ATOM 1011 CD GLU A 203 4.983 -9.605 8.181 1.00 0.00 C ATOM 1012 OE1 GLU A 203 5.742 -8.847 8.820 1.00 0.00 O ATOM 1013 OE2 GLU A 203 5.302 -10.761 7.833 1.00 0.00 O ATOM 0 H GLU A 203 5.838 -8.913 5.828 1.00 0.00 H new ATOM 0 HA GLU A 203 3.305 -9.800 5.305 1.00 0.00 H new ATOM 0 HB2 GLU A 203 4.438 -7.423 6.773 1.00 0.00 H new ATOM 0 HB3 GLU A 203 2.700 -7.572 6.612 1.00 0.00 H new ATOM 0 HG2 GLU A 203 3.161 -8.594 8.671 1.00 0.00 H new ATOM 0 HG3 GLU A 203 2.960 -9.944 7.571 1.00 0.00 H new ATOM 1020 N ALA A 204 3.850 -6.874 3.857 1.00 0.00 N ATOM 1021 CA ALA A 204 3.368 -5.977 2.813 1.00 0.00 C ATOM 1022 C ALA A 204 3.093 -6.738 1.520 1.00 0.00 C ATOM 1023 O ALA A 204 1.977 -6.713 1.001 1.00 0.00 O ATOM 1024 CB ALA A 204 4.375 -4.864 2.568 1.00 0.00 C ATOM 0 H ALA A 204 4.711 -6.569 4.311 1.00 0.00 H new ATOM 0 HA ALA A 204 2.430 -5.536 3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 204 4.002 -4.202 1.786 1.00 0.00 H new ATOM 0 HB2 ALA A 204 4.520 -4.296 3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 204 5.326 -5.296 2.255 1.00 0.00 H new ATOM 1030 N GLN A 205 4.116 -7.412 1.006 1.00 0.00 N ATOM 1031 CA GLN A 205 3.983 -8.178 -0.228 1.00 0.00 C ATOM 1032 C GLN A 205 2.733 -9.051 -0.194 1.00 0.00 C ATOM 1033 O GLN A 205 1.781 -8.817 -0.937 1.00 0.00 O ATOM 1034 CB GLN A 205 5.222 -9.049 -0.448 1.00 0.00 C ATOM 1035 CG GLN A 205 5.294 -9.664 -1.836 1.00 0.00 C ATOM 1036 CD GLN A 205 3.924 -9.886 -2.448 1.00 0.00 C ATOM 1037 OE1 GLN A 205 3.240 -10.860 -2.130 1.00 0.00 O ATOM 1038 NE2 GLN A 205 3.516 -8.982 -3.330 1.00 0.00 N ATOM 0 H GLN A 205 5.046 -7.444 1.424 1.00 0.00 H new ATOM 0 HA GLN A 205 3.890 -7.474 -1.055 1.00 0.00 H new ATOM 0 HB2 GLN A 205 6.114 -8.446 -0.280 1.00 0.00 H new ATOM 0 HB3 GLN A 205 5.232 -9.847 0.295 1.00 0.00 H new ATOM 0 HG2 GLN A 205 5.878 -9.014 -2.488 1.00 0.00 H new ATOM 0 HG3 GLN A 205 5.822 -10.616 -1.780 1.00 0.00 H new ATOM 0 HE21 GLN A 205 4.116 -8.191 -3.564 1.00 0.00 H new ATOM 0 HE22 GLN A 205 2.603 -9.079 -3.774 1.00 0.00 H new ATOM 1047 N ALA A 206 2.744 -10.058 0.673 1.00 0.00 N ATOM 1048 CA ALA A 206 1.610 -10.965 0.804 1.00 0.00 C ATOM 1049 C ALA A 206 0.290 -10.220 0.644 1.00 0.00 C ATOM 1050 O ALA A 206 -0.564 -10.613 -0.150 1.00 0.00 O ATOM 1051 CB ALA A 206 1.657 -11.677 2.148 1.00 0.00 C ATOM 0 H ALA A 206 3.525 -10.266 1.295 1.00 0.00 H new ATOM 0 HA ALA A 206 1.676 -11.708 0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 206 0.805 -12.351 2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 206 2.581 -12.250 2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 206 1.619 -10.941 2.951 1.00 0.00 H new ATOM 1057 N ALA A 207 0.128 -9.142 1.405 1.00 0.00 N ATOM 1058 CA ALA A 207 -1.089 -8.341 1.346 1.00 0.00 C ATOM 1059 C ALA A 207 -1.312 -7.784 -0.055 1.00 0.00 C ATOM 1060 O ALA A 207 -2.431 -7.800 -0.569 1.00 0.00 O ATOM 1061 CB ALA A 207 -1.025 -7.210 2.362 1.00 0.00 C ATOM 0 H ALA A 207 0.824 -8.803 2.069 1.00 0.00 H new ATOM 0 HA ALA A 207 -1.932 -8.987 1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 207 -1.940 -6.620 2.307 1.00 0.00 H new ATOM 0 HB2 ALA A 207 -0.921 -7.626 3.364 1.00 0.00 H new ATOM 0 HB3 ALA A 207 -0.168 -6.573 2.143 1.00 0.00 H new ATOM 1067 N ILE A 208 -0.241 -7.292 -0.669 1.00 0.00 N ATOM 1068 CA ILE A 208 -0.321 -6.730 -2.012 1.00 0.00 C ATOM 1069 C ILE A 208 -0.900 -7.741 -2.996 1.00 0.00 C ATOM 1070 O ILE A 208 -2.024 -7.586 -3.471 1.00 0.00 O ATOM 1071 CB ILE A 208 1.061 -6.274 -2.515 1.00 0.00 C ATOM 1072 CG1 ILE A 208 1.542 -5.059 -1.718 1.00 0.00 C ATOM 1073 CG2 ILE A 208 1.004 -5.952 -4.000 1.00 0.00 C ATOM 1074 CD1 ILE A 208 3.015 -4.764 -1.897 1.00 0.00 C ATOM 0 H ILE A 208 0.692 -7.271 -0.258 1.00 0.00 H new ATOM 0 HA ILE A 208 -0.980 -5.864 -1.953 1.00 0.00 H new ATOM 0 HB ILE A 208 1.772 -7.087 -2.367 1.00 0.00 H new ATOM 0 HG12 ILE A 208 0.965 -4.185 -2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 208 1.339 -5.225 -0.660 1.00 0.00 H new ATOM 0 HG21 ILE A 208 1.988 -5.631 -4.341 1.00 0.00 H new ATOM 0 HG22 ILE A 208 0.700 -6.840 -4.554 1.00 0.00 H new ATOM 0 HG23 ILE A 208 0.282 -5.153 -4.172 1.00 0.00 H new ATOM 0 HD11 ILE A 208 3.286 -3.891 -1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 208 3.601 -5.622 -1.568 1.00 0.00 H new ATOM 0 HD13 ILE A 208 3.221 -4.566 -2.949 1.00 0.00 H new ATOM 1086 N ASN A 209 -0.124 -8.777 -3.297 1.00 0.00 N ATOM 1087 CA ASN A 209 -0.559 -9.815 -4.225 1.00 0.00 C ATOM 1088 C ASN A 209 -1.902 -10.398 -3.796 1.00 0.00 C ATOM 1089 O ASN A 209 -2.768 -10.666 -4.628 1.00 0.00 O ATOM 1090 CB ASN A 209 0.489 -10.926 -4.309 1.00 0.00 C ATOM 1091 CG ASN A 209 -0.115 -12.263 -4.692 1.00 0.00 C ATOM 1092 OD1 ASN A 209 -0.520 -13.043 -3.830 1.00 0.00 O ATOM 1093 ND2 ASN A 209 -0.178 -12.533 -5.991 1.00 0.00 N ATOM 0 H ASN A 209 0.810 -8.920 -2.912 1.00 0.00 H new ATOM 0 HA ASN A 209 -0.677 -9.362 -5.209 1.00 0.00 H new ATOM 0 HB2 ASN A 209 1.249 -10.651 -5.041 1.00 0.00 H new ATOM 0 HB3 ASN A 209 0.993 -11.020 -3.347 1.00 0.00 H new ATOM 0 HD21 ASN A 209 -0.575 -13.417 -6.309 1.00 0.00 H new ATOM 0 HD22 ASN A 209 0.170 -11.856 -6.670 1.00 0.00 H new ATOM 1100 N ALA A 210 -2.067 -10.593 -2.492 1.00 0.00 N ATOM 1101 CA ALA A 210 -3.305 -11.142 -1.952 1.00 0.00 C ATOM 1102 C ALA A 210 -4.507 -10.306 -2.375 1.00 0.00 C ATOM 1103 O ALA A 210 -5.599 -10.834 -2.592 1.00 0.00 O ATOM 1104 CB ALA A 210 -3.227 -11.228 -0.435 1.00 0.00 C ATOM 0 H ALA A 210 -1.359 -10.379 -1.790 1.00 0.00 H new ATOM 0 HA ALA A 210 -3.434 -12.146 -2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 210 -4.158 -11.640 -0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 210 -2.397 -11.874 -0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 210 -3.070 -10.232 -0.022 1.00 0.00 H new ATOM 1110 N LEU A 211 -4.302 -8.998 -2.490 1.00 0.00 N ATOM 1111 CA LEU A 211 -5.370 -8.087 -2.886 1.00 0.00 C ATOM 1112 C LEU A 211 -5.095 -7.492 -4.264 1.00 0.00 C ATOM 1113 O LEU A 211 -5.765 -7.826 -5.241 1.00 0.00 O ATOM 1114 CB LEU A 211 -5.522 -6.968 -1.855 1.00 0.00 C ATOM 1115 CG LEU A 211 -5.924 -7.403 -0.446 1.00 0.00 C ATOM 1116 CD1 LEU A 211 -5.703 -6.272 0.546 1.00 0.00 C ATOM 1117 CD2 LEU A 211 -7.376 -7.858 -0.423 1.00 0.00 C ATOM 0 H LEU A 211 -3.405 -8.545 -2.314 1.00 0.00 H new ATOM 0 HA LEU A 211 -6.299 -8.655 -2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -4.577 -6.429 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -6.267 -6.262 -2.222 1.00 0.00 H new ATOM 0 HG LEU A 211 -5.295 -8.244 -0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -5.995 -6.601 1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -4.650 -5.992 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -6.306 -5.411 0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -7.645 -8.164 0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -8.020 -7.036 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -7.504 -8.700 -1.103 1.00 0.00 H new ATOM 1129 N HIS A 212 -4.102 -6.610 -4.334 1.00 0.00 N ATOM 1130 CA HIS A 212 -3.736 -5.970 -5.592 1.00 0.00 C ATOM 1131 C HIS A 212 -3.695 -6.988 -6.728 1.00 0.00 C ATOM 1132 O HIS A 212 -3.025 -8.016 -6.630 1.00 0.00 O ATOM 1133 CB HIS A 212 -2.378 -5.280 -5.461 1.00 0.00 C ATOM 1134 CG HIS A 212 -1.711 -5.017 -6.776 1.00 0.00 C ATOM 1135 ND1 HIS A 212 -2.373 -4.490 -7.865 1.00 0.00 N ATOM 1136 CD2 HIS A 212 -0.431 -5.210 -7.174 1.00 0.00 C ATOM 1137 CE1 HIS A 212 -1.531 -4.372 -8.875 1.00 0.00 C ATOM 1138 NE2 HIS A 212 -0.345 -4.802 -8.482 1.00 0.00 N ATOM 0 H HIS A 212 -3.537 -6.323 -3.535 1.00 0.00 H new ATOM 0 HA HIS A 212 -4.494 -5.222 -5.825 1.00 0.00 H new ATOM 0 HB2 HIS A 212 -2.509 -4.335 -4.934 1.00 0.00 H new ATOM 0 HB3 HIS A 212 -1.723 -5.899 -4.848 1.00 0.00 H new ATOM 0 HD1 HIS A 212 -3.359 -4.232 -7.887 1.00 0.00 H new ATOM 0 HD2 HIS A 212 0.373 -5.610 -6.574 1.00 0.00 H new ATOM 0 HE1 HIS A 212 -1.771 -3.989 -9.856 1.00 0.00 H new ATOM 1146 N GLY A 213 -4.417 -6.696 -7.805 1.00 0.00 N ATOM 1147 CA GLY A 213 -4.450 -7.596 -8.943 1.00 0.00 C ATOM 1148 C GLY A 213 -5.434 -8.733 -8.755 1.00 0.00 C ATOM 1149 O GLY A 213 -5.971 -9.265 -9.726 1.00 0.00 O ATOM 0 H GLY A 213 -4.980 -5.852 -7.910 1.00 0.00 H new ATOM 0 HA2 GLY A 213 -4.715 -7.034 -9.839 1.00 0.00 H new ATOM 0 HA3 GLY A 213 -3.453 -8.006 -9.107 1.00 0.00 H new ATOM 1153 N SER A 214 -5.670 -9.108 -7.502 1.00 0.00 N ATOM 1154 CA SER A 214 -6.593 -10.193 -7.189 1.00 0.00 C ATOM 1155 C SER A 214 -8.009 -9.662 -6.991 1.00 0.00 C ATOM 1156 O SER A 214 -8.905 -9.945 -7.785 1.00 0.00 O ATOM 1157 CB SER A 214 -6.133 -10.936 -5.933 1.00 0.00 C ATOM 1158 OG SER A 214 -5.011 -11.757 -6.207 1.00 0.00 O ATOM 0 H SER A 214 -5.235 -8.676 -6.687 1.00 0.00 H new ATOM 0 HA SER A 214 -6.599 -10.886 -8.030 1.00 0.00 H new ATOM 0 HB2 SER A 214 -5.880 -10.217 -5.154 1.00 0.00 H new ATOM 0 HB3 SER A 214 -6.950 -11.547 -5.549 1.00 0.00 H new ATOM 0 HG SER A 214 -4.236 -11.431 -5.703 1.00 0.00 H new ATOM 1164 N GLN A 215 -8.201 -8.892 -5.925 1.00 0.00 N ATOM 1165 CA GLN A 215 -9.509 -8.321 -5.622 1.00 0.00 C ATOM 1166 C GLN A 215 -9.739 -7.038 -6.412 1.00 0.00 C ATOM 1167 O GLN A 215 -8.815 -6.253 -6.627 1.00 0.00 O ATOM 1168 CB GLN A 215 -9.631 -8.041 -4.123 1.00 0.00 C ATOM 1169 CG GLN A 215 -10.826 -7.175 -3.761 1.00 0.00 C ATOM 1170 CD GLN A 215 -12.080 -7.988 -3.505 1.00 0.00 C ATOM 1171 OE1 GLN A 215 -13.018 -7.971 -4.302 1.00 0.00 O ATOM 1172 NE2 GLN A 215 -12.102 -8.707 -2.389 1.00 0.00 N ATOM 0 H GLN A 215 -7.469 -8.649 -5.257 1.00 0.00 H new ATOM 0 HA GLN A 215 -10.270 -9.045 -5.912 1.00 0.00 H new ATOM 0 HB2 GLN A 215 -9.705 -8.989 -3.590 1.00 0.00 H new ATOM 0 HB3 GLN A 215 -8.720 -7.551 -3.778 1.00 0.00 H new ATOM 0 HG2 GLN A 215 -10.590 -6.589 -2.873 1.00 0.00 H new ATOM 0 HG3 GLN A 215 -11.015 -6.467 -4.568 1.00 0.00 H new ATOM 0 HE21 GLN A 215 -11.302 -8.692 -1.757 1.00 0.00 H new ATOM 0 HE22 GLN A 215 -12.919 -9.275 -2.164 1.00 0.00 H new ATOM 1181 N THR A 216 -10.980 -6.828 -6.843 1.00 0.00 N ATOM 1182 CA THR A 216 -11.332 -5.640 -7.610 1.00 0.00 C ATOM 1183 C THR A 216 -12.402 -4.822 -6.897 1.00 0.00 C ATOM 1184 O THR A 216 -13.588 -5.145 -6.960 1.00 0.00 O ATOM 1185 CB THR A 216 -11.837 -6.011 -9.018 1.00 0.00 C ATOM 1186 OG1 THR A 216 -10.910 -6.897 -9.654 1.00 0.00 O ATOM 1187 CG2 THR A 216 -12.023 -4.765 -9.871 1.00 0.00 C ATOM 0 H THR A 216 -11.758 -7.466 -6.673 1.00 0.00 H new ATOM 0 HA THR A 216 -10.425 -5.043 -7.703 1.00 0.00 H new ATOM 0 HB THR A 216 -12.801 -6.509 -8.915 1.00 0.00 H new ATOM 0 HG1 THR A 216 -11.239 -7.129 -10.547 1.00 0.00 H new ATOM 0 HG21 THR A 216 -12.380 -5.051 -10.860 1.00 0.00 H new ATOM 0 HG22 THR A 216 -12.752 -4.106 -9.399 1.00 0.00 H new ATOM 0 HG23 THR A 216 -11.071 -4.243 -9.966 1.00 0.00 H new ATOM 1195 N MET A 217 -11.976 -3.761 -6.219 1.00 0.00 N ATOM 1196 CA MET A 217 -12.899 -2.896 -5.496 1.00 0.00 C ATOM 1197 C MET A 217 -14.206 -2.731 -6.265 1.00 0.00 C ATOM 1198 O MET A 217 -14.218 -2.470 -7.468 1.00 0.00 O ATOM 1199 CB MET A 217 -12.263 -1.526 -5.251 1.00 0.00 C ATOM 1200 CG MET A 217 -10.980 -1.589 -4.437 1.00 0.00 C ATOM 1201 SD MET A 217 -11.281 -1.934 -2.693 1.00 0.00 S ATOM 1202 CE MET A 217 -9.841 -2.919 -2.289 1.00 0.00 C ATOM 0 H MET A 217 -10.997 -3.480 -6.156 1.00 0.00 H new ATOM 0 HA MET A 217 -13.119 -3.364 -4.536 1.00 0.00 H new ATOM 0 HB2 MET A 217 -12.052 -1.055 -6.211 1.00 0.00 H new ATOM 0 HB3 MET A 217 -12.981 -0.888 -4.735 1.00 0.00 H new ATOM 0 HG2 MET A 217 -10.330 -2.361 -4.849 1.00 0.00 H new ATOM 0 HG3 MET A 217 -10.448 -0.642 -4.530 1.00 0.00 H new ATOM 0 HE1 MET A 217 -10.083 -3.600 -1.473 1.00 0.00 H new ATOM 0 HE2 MET A 217 -9.536 -3.494 -3.164 1.00 0.00 H new ATOM 0 HE3 MET A 217 -9.026 -2.263 -1.984 1.00 0.00 H new ATOM 1212 N PRO A 218 -15.334 -2.888 -5.556 1.00 0.00 N ATOM 1213 CA PRO A 218 -16.668 -2.762 -6.153 1.00 0.00 C ATOM 1214 C PRO A 218 -16.809 -1.498 -6.994 1.00 0.00 C ATOM 1215 O PRO A 218 -16.611 -0.388 -6.502 1.00 0.00 O ATOM 1216 CB PRO A 218 -17.596 -2.701 -4.937 1.00 0.00 C ATOM 1217 CG PRO A 218 -16.867 -3.437 -3.867 1.00 0.00 C ATOM 1218 CD PRO A 218 -15.396 -3.201 -4.119 1.00 0.00 C ATOM 0 HA PRO A 218 -16.889 -3.583 -6.835 1.00 0.00 H new ATOM 0 HB2 PRO A 218 -17.796 -1.671 -4.643 1.00 0.00 H new ATOM 0 HB3 PRO A 218 -18.559 -3.164 -5.150 1.00 0.00 H new ATOM 0 HG2 PRO A 218 -17.156 -3.075 -2.880 1.00 0.00 H new ATOM 0 HG3 PRO A 218 -17.101 -4.501 -3.898 1.00 0.00 H new ATOM 0 HD2 PRO A 218 -15.013 -2.380 -3.513 1.00 0.00 H new ATOM 0 HD3 PRO A 218 -14.802 -4.081 -3.875 1.00 0.00 H new ATOM 1226 N GLY A 219 -17.152 -1.674 -8.266 1.00 0.00 N ATOM 1227 CA GLY A 219 -17.314 -0.539 -9.155 1.00 0.00 C ATOM 1228 C GLY A 219 -16.255 -0.495 -10.239 1.00 0.00 C ATOM 1229 O GLY A 219 -16.573 -0.396 -11.423 1.00 0.00 O ATOM 0 H GLY A 219 -17.321 -2.583 -8.697 1.00 0.00 H new ATOM 0 HA2 GLY A 219 -18.300 -0.581 -9.617 1.00 0.00 H new ATOM 0 HA3 GLY A 219 -17.273 0.382 -8.574 1.00 0.00 H new ATOM 1233 N ALA A 220 -14.992 -0.568 -9.832 1.00 0.00 N ATOM 1234 CA ALA A 220 -13.882 -0.536 -10.777 1.00 0.00 C ATOM 1235 C ALA A 220 -13.843 -1.806 -11.620 1.00 0.00 C ATOM 1236 O ALA A 220 -14.262 -2.874 -11.172 1.00 0.00 O ATOM 1237 CB ALA A 220 -12.565 -0.350 -10.039 1.00 0.00 C ATOM 0 H ALA A 220 -14.712 -0.650 -8.855 1.00 0.00 H new ATOM 0 HA ALA A 220 -14.032 0.310 -11.447 1.00 0.00 H new ATOM 0 HB1 ALA A 220 -11.745 -0.328 -10.757 1.00 0.00 H new ATOM 0 HB2 ALA A 220 -12.588 0.589 -9.485 1.00 0.00 H new ATOM 0 HB3 ALA A 220 -12.417 -1.177 -9.345 1.00 0.00 H new ATOM 1243 N SER A 221 -13.339 -1.683 -12.844 1.00 0.00 N ATOM 1244 CA SER A 221 -13.249 -2.821 -13.752 1.00 0.00 C ATOM 1245 C SER A 221 -11.861 -3.451 -13.699 1.00 0.00 C ATOM 1246 O SER A 221 -11.669 -4.593 -14.115 1.00 0.00 O ATOM 1247 CB SER A 221 -13.570 -2.385 -15.183 1.00 0.00 C ATOM 1248 OG SER A 221 -12.592 -1.483 -15.672 1.00 0.00 O ATOM 0 H SER A 221 -12.987 -0.807 -13.230 1.00 0.00 H new ATOM 0 HA SER A 221 -13.979 -3.566 -13.434 1.00 0.00 H new ATOM 0 HB2 SER A 221 -13.619 -3.260 -15.831 1.00 0.00 H new ATOM 0 HB3 SER A 221 -14.552 -1.912 -15.211 1.00 0.00 H new ATOM 0 HG SER A 221 -12.818 -1.220 -16.589 1.00 0.00 H new ATOM 1254 N SER A 222 -10.895 -2.696 -13.184 1.00 0.00 N ATOM 1255 CA SER A 222 -9.523 -3.178 -13.080 1.00 0.00 C ATOM 1256 C SER A 222 -9.221 -3.656 -11.662 1.00 0.00 C ATOM 1257 O SER A 222 -9.746 -3.116 -10.689 1.00 0.00 O ATOM 1258 CB SER A 222 -8.541 -2.074 -13.477 1.00 0.00 C ATOM 1259 OG SER A 222 -7.344 -2.621 -14.003 1.00 0.00 O ATOM 0 H SER A 222 -11.037 -1.749 -12.833 1.00 0.00 H new ATOM 0 HA SER A 222 -9.407 -4.021 -13.762 1.00 0.00 H new ATOM 0 HB2 SER A 222 -9.003 -1.422 -14.218 1.00 0.00 H new ATOM 0 HB3 SER A 222 -8.312 -1.457 -12.608 1.00 0.00 H new ATOM 0 HG SER A 222 -6.734 -1.895 -14.251 1.00 0.00 H new ATOM 1265 N SER A 223 -8.371 -4.673 -11.556 1.00 0.00 N ATOM 1266 CA SER A 223 -8.002 -5.227 -10.259 1.00 0.00 C ATOM 1267 C SER A 223 -7.371 -4.159 -9.371 1.00 0.00 C ATOM 1268 O SER A 223 -6.828 -3.168 -9.862 1.00 0.00 O ATOM 1269 CB SER A 223 -7.031 -6.396 -10.438 1.00 0.00 C ATOM 1270 OG SER A 223 -7.649 -7.472 -11.123 1.00 0.00 O ATOM 0 H SER A 223 -7.926 -5.129 -12.352 1.00 0.00 H new ATOM 0 HA SER A 223 -8.909 -5.588 -9.774 1.00 0.00 H new ATOM 0 HB2 SER A 223 -6.154 -6.063 -10.993 1.00 0.00 H new ATOM 0 HB3 SER A 223 -6.681 -6.735 -9.463 1.00 0.00 H new ATOM 0 HG SER A 223 -7.248 -8.318 -10.833 1.00 0.00 H new ATOM 1276 N LEU A 224 -7.447 -4.367 -8.061 1.00 0.00 N ATOM 1277 CA LEU A 224 -6.883 -3.423 -7.103 1.00 0.00 C ATOM 1278 C LEU A 224 -5.449 -3.061 -7.473 1.00 0.00 C ATOM 1279 O LEU A 224 -4.763 -3.821 -8.158 1.00 0.00 O ATOM 1280 CB LEU A 224 -6.925 -4.012 -5.692 1.00 0.00 C ATOM 1281 CG LEU A 224 -6.212 -3.205 -4.606 1.00 0.00 C ATOM 1282 CD1 LEU A 224 -6.985 -1.934 -4.291 1.00 0.00 C ATOM 1283 CD2 LEU A 224 -6.029 -4.046 -3.350 1.00 0.00 C ATOM 0 H LEU A 224 -7.894 -5.181 -7.638 1.00 0.00 H new ATOM 0 HA LEU A 224 -7.485 -2.514 -7.129 1.00 0.00 H new ATOM 0 HB2 LEU A 224 -7.969 -4.132 -5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 224 -6.486 -5.009 -5.723 1.00 0.00 H new ATOM 0 HG LEU A 224 -5.227 -2.923 -4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 224 -6.462 -1.373 -3.516 1.00 0.00 H new ATOM 0 HD12 LEU A 224 -7.064 -1.324 -5.191 1.00 0.00 H new ATOM 0 HD13 LEU A 224 -7.984 -2.193 -3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 224 -5.520 -3.456 -2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 224 -7.004 -4.358 -2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 224 -5.432 -4.927 -3.586 1.00 0.00 H new ATOM 1295 N VAL A 225 -5.000 -1.897 -7.015 1.00 0.00 N ATOM 1296 CA VAL A 225 -3.645 -1.436 -7.295 1.00 0.00 C ATOM 1297 C VAL A 225 -2.920 -1.049 -6.011 1.00 0.00 C ATOM 1298 O VAL A 225 -3.225 -0.027 -5.397 1.00 0.00 O ATOM 1299 CB VAL A 225 -3.650 -0.229 -8.252 1.00 0.00 C ATOM 1300 CG1 VAL A 225 -2.229 0.227 -8.544 1.00 0.00 C ATOM 1301 CG2 VAL A 225 -4.383 -0.574 -9.540 1.00 0.00 C ATOM 0 H VAL A 225 -5.555 -1.256 -6.448 1.00 0.00 H new ATOM 0 HA VAL A 225 -3.120 -2.265 -7.770 1.00 0.00 H new ATOM 0 HB VAL A 225 -4.178 0.593 -7.769 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -2.253 1.080 -9.222 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -1.741 0.516 -7.613 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -1.673 -0.588 -9.007 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -4.377 0.290 -10.205 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -3.885 -1.411 -10.029 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -5.413 -0.848 -9.310 1.00 0.00 H new ATOM 1311 N VAL A 226 -1.956 -1.873 -5.611 1.00 0.00 N ATOM 1312 CA VAL A 226 -1.185 -1.617 -4.401 1.00 0.00 C ATOM 1313 C VAL A 226 0.304 -1.839 -4.641 1.00 0.00 C ATOM 1314 O VAL A 226 0.778 -2.975 -4.667 1.00 0.00 O ATOM 1315 CB VAL A 226 -1.646 -2.518 -3.240 1.00 0.00 C ATOM 1316 CG1 VAL A 226 -0.909 -2.159 -1.959 1.00 0.00 C ATOM 1317 CG2 VAL A 226 -3.151 -2.410 -3.047 1.00 0.00 C ATOM 0 H VAL A 226 -1.691 -2.723 -6.108 1.00 0.00 H new ATOM 0 HA VAL A 226 -1.356 -0.575 -4.132 1.00 0.00 H new ATOM 0 HB VAL A 226 -1.408 -3.552 -3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 226 -1.248 -2.806 -1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 226 0.163 -2.293 -2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 226 -1.112 -1.120 -1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 226 -3.459 -3.053 -2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 226 -3.416 -1.377 -2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 226 -3.658 -2.722 -3.960 1.00 0.00 H new ATOM 1327 N LYS A 227 1.039 -0.745 -4.816 1.00 0.00 N ATOM 1328 CA LYS A 227 2.476 -0.818 -5.052 1.00 0.00 C ATOM 1329 C LYS A 227 3.245 -0.097 -3.950 1.00 0.00 C ATOM 1330 O LYS A 227 2.657 0.596 -3.120 1.00 0.00 O ATOM 1331 CB LYS A 227 2.821 -0.209 -6.413 1.00 0.00 C ATOM 1332 CG LYS A 227 2.312 1.211 -6.590 1.00 0.00 C ATOM 1333 CD LYS A 227 2.124 1.557 -8.058 1.00 0.00 C ATOM 1334 CE LYS A 227 1.830 3.037 -8.248 1.00 0.00 C ATOM 1335 NZ LYS A 227 2.091 3.479 -9.646 1.00 0.00 N ATOM 0 H LYS A 227 0.662 0.203 -4.799 1.00 0.00 H new ATOM 0 HA LYS A 227 2.768 -1.868 -5.047 1.00 0.00 H new ATOM 0 HB2 LYS A 227 3.903 -0.217 -6.541 1.00 0.00 H new ATOM 0 HB3 LYS A 227 2.402 -0.837 -7.199 1.00 0.00 H new ATOM 0 HG2 LYS A 227 1.365 1.327 -6.064 1.00 0.00 H new ATOM 0 HG3 LYS A 227 3.016 1.910 -6.138 1.00 0.00 H new ATOM 0 HD2 LYS A 227 3.022 1.289 -8.614 1.00 0.00 H new ATOM 0 HD3 LYS A 227 1.306 0.966 -8.470 1.00 0.00 H new ATOM 0 HE2 LYS A 227 0.789 3.236 -7.992 1.00 0.00 H new ATOM 0 HE3 LYS A 227 2.444 3.620 -7.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 227 1.879 4.493 -9.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 227 3.090 3.312 -9.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 227 1.487 2.940 -10.299 1.00 0.00 H new ATOM 1349 N PHE A 228 4.564 -0.265 -3.949 1.00 0.00 N ATOM 1350 CA PHE A 228 5.414 0.371 -2.950 1.00 0.00 C ATOM 1351 C PHE A 228 5.506 1.875 -3.190 1.00 0.00 C ATOM 1352 O PHE A 228 6.201 2.328 -4.099 1.00 0.00 O ATOM 1353 CB PHE A 228 6.814 -0.247 -2.973 1.00 0.00 C ATOM 1354 CG PHE A 228 6.823 -1.721 -2.683 1.00 0.00 C ATOM 1355 CD1 PHE A 228 6.740 -2.185 -1.380 1.00 0.00 C ATOM 1356 CD2 PHE A 228 6.916 -2.642 -3.714 1.00 0.00 C ATOM 1357 CE1 PHE A 228 6.748 -3.541 -1.110 1.00 0.00 C ATOM 1358 CE2 PHE A 228 6.924 -3.999 -3.450 1.00 0.00 C ATOM 1359 CZ PHE A 228 6.841 -4.448 -2.147 1.00 0.00 C ATOM 0 H PHE A 228 5.066 -0.836 -4.629 1.00 0.00 H new ATOM 0 HA PHE A 228 4.966 0.205 -1.970 1.00 0.00 H new ATOM 0 HB2 PHE A 228 7.263 -0.074 -3.951 1.00 0.00 H new ATOM 0 HB3 PHE A 228 7.440 0.263 -2.241 1.00 0.00 H new ATOM 0 HD1 PHE A 228 6.668 -1.479 -0.566 1.00 0.00 H new ATOM 0 HD2 PHE A 228 6.983 -2.296 -4.735 1.00 0.00 H new ATOM 0 HE1 PHE A 228 6.682 -3.890 -0.090 1.00 0.00 H new ATOM 0 HE2 PHE A 228 6.995 -4.707 -4.262 1.00 0.00 H new ATOM 0 HZ PHE A 228 6.849 -5.508 -1.939 1.00 0.00 H new