USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 553 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 196 CYS SG : rot 180:sc= -0.746 USER MOD Set 1.2: A 221 MET CE :methyl -123:sc= -10.4! (180deg=-16.2!) USER MOD Set 2.1: A 181 THR OG1 : rot -132:sc= 0.392 USER MOD Set 2.2: A 195 THR OG1 : rot -150:sc= 0.0403 USER MOD Single : A 159 ASN :FLIP amide:sc= -0.977 F(o=-1.9,f=-0.98) USER MOD Single : A 165 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.5) USER MOD Single : A 170 GLN : amide:sc= -0.0854 K(o=-0.085,f=-0.63) USER MOD Single : A 171 LYS NZ :NH3+ 160:sc= -0.044 (180deg=-0.314) USER MOD Single : A 178 TYR OH : rot 52:sc= -2.47! USER MOD Single : A 179 THR OG1 : rot 55:sc= 0.655 USER MOD Single : A 182 GLN : amide:sc= -0.105 K(o=-0.1,f=-1.3!) USER MOD Single : A 184 SER OG : rot 180:sc= -0.0346 USER MOD Single : A 188 HIS : no HE2:sc= -4.75! C(o=-4.7!,f=-7.7!) USER MOD Single : A 190 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 193 THR OG1 : rot 180:sc= 0 USER MOD Single : A 194 MET CE :methyl 158:sc= -0.0924 (180deg=-1.27) USER MOD Single : A 206 SER OG : rot 180:sc= 0 USER MOD Single : A 208 THR OG1 : rot 180:sc= -0.0114 USER MOD Single : A 209 SER OG : rot -129:sc= -0.675 USER MOD Single : A 210 LYS NZ :NH3+ -115:sc= 0.521 (180deg=-0.213) USER MOD Single : A 211 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0183) USER MOD Single : A 214 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 216 ASN : amide:sc= -0.891 K(o=-0.89,f=-3.7!) USER MOD Single : A 220 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 192 N ASN A 159 9.723 4.582 0.376 1.00 0.00 N ATOM 193 CA ASN A 159 8.811 3.467 0.606 1.00 0.00 C ATOM 194 C ASN A 159 7.393 3.826 0.171 1.00 0.00 C ATOM 195 O ASN A 159 6.942 4.962 0.315 1.00 0.00 O ATOM 196 CB ASN A 159 8.818 3.071 2.084 1.00 0.00 C ATOM 197 CG ASN A 159 8.797 4.275 3.005 1.00 0.00 C ATOM 198 OD1 ASN A 159 7.716 4.420 3.763 1.00 0.00 O flip ATOM 199 ND2 ASN A 159 9.741 5.065 3.035 1.00 0.00 N flip ATOM 0 HA ASN A 159 9.153 2.622 0.009 1.00 0.00 H new ATOM 0 HB2 ASN A 159 7.953 2.442 2.293 1.00 0.00 H new ATOM 0 HB3 ASN A 159 9.705 2.473 2.293 1.00 0.00 H new ATOM 0 HD21 ASN A 159 10.552 4.914 2.435 1.00 0.00 H new ATOM 0 HD22 ASN A 159 9.712 5.870 3.660 1.00 0.00 H new ATOM 206 N PRO A 160 6.672 2.834 -0.373 1.00 0.00 N ATOM 207 CA PRO A 160 5.294 3.020 -0.838 1.00 0.00 C ATOM 208 C PRO A 160 4.317 3.231 0.313 1.00 0.00 C ATOM 209 O PRO A 160 3.534 4.180 0.310 1.00 0.00 O ATOM 210 CB PRO A 160 4.987 1.710 -1.568 1.00 0.00 C ATOM 211 CG PRO A 160 5.895 0.707 -0.945 1.00 0.00 C ATOM 212 CD PRO A 160 7.146 1.455 -0.575 1.00 0.00 C ATOM 0 HA PRO A 160 5.191 3.907 -1.463 1.00 0.00 H new ATOM 0 HB2 PRO A 160 3.942 1.426 -1.448 1.00 0.00 H new ATOM 0 HB3 PRO A 160 5.172 1.801 -2.638 1.00 0.00 H new ATOM 0 HG2 PRO A 160 5.435 0.257 -0.065 1.00 0.00 H new ATOM 0 HG3 PRO A 160 6.116 -0.104 -1.639 1.00 0.00 H new ATOM 0 HD2 PRO A 160 7.603 1.051 0.328 1.00 0.00 H new ATOM 0 HD3 PRO A 160 7.896 1.399 -1.364 1.00 0.00 H new ATOM 220 N VAL A 161 4.368 2.339 1.298 1.00 0.00 N ATOM 221 CA VAL A 161 3.488 2.429 2.457 1.00 0.00 C ATOM 222 C VAL A 161 3.502 3.833 3.050 1.00 0.00 C ATOM 223 O VAL A 161 2.466 4.356 3.458 1.00 0.00 O ATOM 224 CB VAL A 161 3.891 1.418 3.547 1.00 0.00 C ATOM 225 CG1 VAL A 161 2.920 1.478 4.716 1.00 0.00 C ATOM 226 CG2 VAL A 161 3.959 0.012 2.971 1.00 0.00 C ATOM 0 H VAL A 161 5.009 1.546 1.316 1.00 0.00 H new ATOM 0 HA VAL A 161 2.482 2.195 2.110 1.00 0.00 H new ATOM 0 HB VAL A 161 4.882 1.683 3.915 1.00 0.00 H new ATOM 0 HG11 VAL A 161 3.221 0.757 5.476 1.00 0.00 H new ATOM 0 HG12 VAL A 161 2.927 2.481 5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 161 1.915 1.240 4.367 1.00 0.00 H new ATOM 0 HG21 VAL A 161 4.245 -0.689 3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 161 2.983 -0.266 2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 161 4.698 -0.018 2.170 1.00 0.00 H new ATOM 236 N GLY A 162 4.685 4.439 3.095 1.00 0.00 N ATOM 237 CA GLY A 162 4.812 5.778 3.640 1.00 0.00 C ATOM 238 C GLY A 162 4.323 6.844 2.680 1.00 0.00 C ATOM 239 O GLY A 162 4.094 7.986 3.076 1.00 0.00 O ATOM 0 H GLY A 162 5.557 4.027 2.764 1.00 0.00 H new ATOM 0 HA2 GLY A 162 4.246 5.844 4.569 1.00 0.00 H new ATOM 0 HA3 GLY A 162 5.856 5.968 3.888 1.00 0.00 H new ATOM 243 N ALA A 163 4.163 6.470 1.415 1.00 0.00 N ATOM 244 CA ALA A 163 3.696 7.402 0.396 1.00 0.00 C ATOM 245 C ALA A 163 2.173 7.424 0.327 1.00 0.00 C ATOM 246 O ALA A 163 1.549 8.475 0.477 1.00 0.00 O ATOM 247 CB ALA A 163 4.283 7.039 -0.960 1.00 0.00 C ATOM 0 H ALA A 163 4.350 5.528 1.071 1.00 0.00 H new ATOM 0 HA ALA A 163 4.035 8.401 0.671 1.00 0.00 H new ATOM 0 HB1 ALA A 163 3.926 7.743 -1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 163 5.371 7.083 -0.909 1.00 0.00 H new ATOM 0 HB3 ALA A 163 3.973 6.030 -1.232 1.00 0.00 H new ATOM 253 N LEU A 164 1.580 6.257 0.099 1.00 0.00 N ATOM 254 CA LEU A 164 0.128 6.142 0.009 1.00 0.00 C ATOM 255 C LEU A 164 -0.546 6.821 1.197 1.00 0.00 C ATOM 256 O LEU A 164 -1.663 7.326 1.083 1.00 0.00 O ATOM 257 CB LEU A 164 -0.284 4.670 -0.053 1.00 0.00 C ATOM 258 CG LEU A 164 -1.767 4.398 -0.307 1.00 0.00 C ATOM 259 CD1 LEU A 164 -2.161 4.853 -1.704 1.00 0.00 C ATOM 260 CD2 LEU A 164 -2.078 2.921 -0.118 1.00 0.00 C ATOM 0 H LEU A 164 2.081 5.378 -0.027 1.00 0.00 H new ATOM 0 HA LEU A 164 -0.196 6.642 -0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 164 0.294 4.185 -0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 164 -0.004 4.195 0.887 1.00 0.00 H new ATOM 0 HG LEU A 164 -2.351 4.967 0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 164 -3.220 4.652 -1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 164 -1.975 5.922 -1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 164 -1.571 4.311 -2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 164 -3.138 2.746 -0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 164 -1.485 2.332 -0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 164 -1.834 2.625 0.902 1.00 0.00 H new ATOM 272 N GLN A 165 0.140 6.829 2.335 1.00 0.00 N ATOM 273 CA GLN A 165 -0.393 7.448 3.543 1.00 0.00 C ATOM 274 C GLN A 165 -0.586 8.948 3.347 1.00 0.00 C ATOM 275 O GLN A 165 -1.515 9.539 3.896 1.00 0.00 O ATOM 276 CB GLN A 165 0.542 7.192 4.727 1.00 0.00 C ATOM 277 CG GLN A 165 0.274 8.096 5.920 1.00 0.00 C ATOM 278 CD GLN A 165 -1.008 7.737 6.647 1.00 0.00 C ATOM 279 OE1 GLN A 165 -0.983 7.328 7.808 1.00 0.00 O ATOM 280 NE2 GLN A 165 -2.137 7.889 5.966 1.00 0.00 N ATOM 0 H GLN A 165 1.065 6.414 2.446 1.00 0.00 H new ATOM 0 HA GLN A 165 -1.364 7.000 3.752 1.00 0.00 H new ATOM 0 HB2 GLN A 165 0.443 6.153 5.040 1.00 0.00 H new ATOM 0 HB3 GLN A 165 1.573 7.330 4.402 1.00 0.00 H new ATOM 0 HG2 GLN A 165 1.111 8.032 6.615 1.00 0.00 H new ATOM 0 HG3 GLN A 165 0.218 9.131 5.582 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -2.111 8.231 5.005 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -3.031 7.664 6.403 1.00 0.00 H new ATOM 289 N GLU A 166 0.297 9.556 2.562 1.00 0.00 N ATOM 290 CA GLU A 166 0.223 10.987 2.295 1.00 0.00 C ATOM 291 C GLU A 166 -0.879 11.296 1.285 1.00 0.00 C ATOM 292 O GLU A 166 -1.619 12.269 1.435 1.00 0.00 O ATOM 293 CB GLU A 166 1.566 11.502 1.775 1.00 0.00 C ATOM 294 CG GLU A 166 2.651 11.555 2.838 1.00 0.00 C ATOM 295 CD GLU A 166 3.673 12.644 2.575 1.00 0.00 C ATOM 296 OE1 GLU A 166 3.459 13.784 3.037 1.00 0.00 O ATOM 297 OE2 GLU A 166 4.688 12.355 1.906 1.00 0.00 O ATOM 0 H GLU A 166 1.072 9.080 2.100 1.00 0.00 H new ATOM 0 HA GLU A 166 -0.014 11.493 3.231 1.00 0.00 H new ATOM 0 HB2 GLU A 166 1.900 10.861 0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 166 1.427 12.500 1.360 1.00 0.00 H new ATOM 0 HG2 GLU A 166 2.192 11.721 3.813 1.00 0.00 H new ATOM 0 HG3 GLU A 166 3.157 10.591 2.884 1.00 0.00 H new ATOM 304 N LEU A 167 -0.980 10.462 0.256 1.00 0.00 N ATOM 305 CA LEU A 167 -1.990 10.645 -0.780 1.00 0.00 C ATOM 306 C LEU A 167 -3.394 10.482 -0.207 1.00 0.00 C ATOM 307 O LEU A 167 -4.201 11.411 -0.239 1.00 0.00 O ATOM 308 CB LEU A 167 -1.771 9.644 -1.916 1.00 0.00 C ATOM 309 CG LEU A 167 -0.317 9.387 -2.313 1.00 0.00 C ATOM 310 CD1 LEU A 167 -0.246 8.707 -3.671 1.00 0.00 C ATOM 311 CD2 LEU A 167 0.472 10.689 -2.324 1.00 0.00 C ATOM 0 H LEU A 167 -0.375 9.653 0.117 1.00 0.00 H new ATOM 0 HA LEU A 167 -1.893 11.657 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -2.221 8.694 -1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -2.309 9.999 -2.795 1.00 0.00 H new ATOM 0 HG LEU A 167 0.129 8.722 -1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 167 0.797 8.532 -3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -0.774 7.754 -3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -0.710 9.346 -4.423 1.00 0.00 H new ATOM 0 HD21 LEU A 167 1.504 10.486 -2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 167 0.026 11.378 -3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 167 0.451 11.136 -1.330 1.00 0.00 H new ATOM 323 N VAL A 168 -3.679 9.295 0.319 1.00 0.00 N ATOM 324 CA VAL A 168 -4.984 9.010 0.903 1.00 0.00 C ATOM 325 C VAL A 168 -5.532 10.226 1.641 1.00 0.00 C ATOM 326 O VAL A 168 -6.654 10.666 1.389 1.00 0.00 O ATOM 327 CB VAL A 168 -4.916 7.819 1.876 1.00 0.00 C ATOM 328 CG1 VAL A 168 -4.868 6.506 1.111 1.00 0.00 C ATOM 329 CG2 VAL A 168 -3.713 7.953 2.798 1.00 0.00 C ATOM 0 H VAL A 168 -3.023 8.515 0.353 1.00 0.00 H new ATOM 0 HA VAL A 168 -5.652 8.757 0.079 1.00 0.00 H new ATOM 0 HB VAL A 168 -5.817 7.821 2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 168 -4.820 5.676 1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 168 -5.763 6.410 0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 168 -3.986 6.490 0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 168 -3.680 7.103 3.479 1.00 0.00 H new ATOM 0 HG22 VAL A 168 -2.800 7.977 2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 168 -3.796 8.875 3.373 1.00 0.00 H new ATOM 339 N VAL A 169 -4.733 10.766 2.556 1.00 0.00 N ATOM 340 CA VAL A 169 -5.137 11.933 3.331 1.00 0.00 C ATOM 341 C VAL A 169 -5.547 13.084 2.419 1.00 0.00 C ATOM 342 O VAL A 169 -6.558 13.745 2.655 1.00 0.00 O ATOM 343 CB VAL A 169 -4.005 12.408 4.261 1.00 0.00 C ATOM 344 CG1 VAL A 169 -4.439 13.637 5.047 1.00 0.00 C ATOM 345 CG2 VAL A 169 -3.580 11.288 5.199 1.00 0.00 C ATOM 0 H VAL A 169 -3.802 10.414 2.779 1.00 0.00 H new ATOM 0 HA VAL A 169 -5.992 11.631 3.936 1.00 0.00 H new ATOM 0 HB VAL A 169 -3.147 12.683 3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 169 -3.626 13.958 5.699 1.00 0.00 H new ATOM 0 HG12 VAL A 169 -4.689 14.442 4.355 1.00 0.00 H new ATOM 0 HG13 VAL A 169 -5.313 13.393 5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 169 -2.779 11.642 5.849 1.00 0.00 H new ATOM 0 HG22 VAL A 169 -4.431 10.980 5.807 1.00 0.00 H new ATOM 0 HG23 VAL A 169 -3.225 10.439 4.615 1.00 0.00 H new ATOM 355 N GLN A 170 -4.756 13.316 1.377 1.00 0.00 N ATOM 356 CA GLN A 170 -5.038 14.388 0.429 1.00 0.00 C ATOM 357 C GLN A 170 -6.339 14.123 -0.322 1.00 0.00 C ATOM 358 O GLN A 170 -7.079 15.050 -0.651 1.00 0.00 O ATOM 359 CB GLN A 170 -3.884 14.536 -0.564 1.00 0.00 C ATOM 360 CG GLN A 170 -2.585 14.996 0.078 1.00 0.00 C ATOM 361 CD GLN A 170 -2.683 16.394 0.657 1.00 0.00 C ATOM 362 OE1 GLN A 170 -3.374 17.256 0.113 1.00 0.00 O ATOM 363 NE2 GLN A 170 -1.991 16.625 1.766 1.00 0.00 N ATOM 0 H GLN A 170 -3.916 12.777 1.168 1.00 0.00 H new ATOM 0 HA GLN A 170 -5.146 15.316 0.991 1.00 0.00 H new ATOM 0 HB2 GLN A 170 -3.716 13.579 -1.059 1.00 0.00 H new ATOM 0 HB3 GLN A 170 -4.170 15.249 -1.337 1.00 0.00 H new ATOM 0 HG2 GLN A 170 -2.308 14.298 0.868 1.00 0.00 H new ATOM 0 HG3 GLN A 170 -1.788 14.970 -0.665 1.00 0.00 H new ATOM 0 HE21 GLN A 170 -1.432 15.881 2.182 1.00 0.00 H new ATOM 0 HE22 GLN A 170 -2.019 17.547 2.202 1.00 0.00 H new ATOM 372 N LYS A 171 -6.613 12.851 -0.590 1.00 0.00 N ATOM 373 CA LYS A 171 -7.825 12.462 -1.301 1.00 0.00 C ATOM 374 C LYS A 171 -9.009 12.364 -0.345 1.00 0.00 C ATOM 375 O LYS A 171 -10.159 12.276 -0.773 1.00 0.00 O ATOM 376 CB LYS A 171 -7.617 11.122 -2.011 1.00 0.00 C ATOM 377 CG LYS A 171 -6.599 11.181 -3.137 1.00 0.00 C ATOM 378 CD LYS A 171 -6.878 10.129 -4.197 1.00 0.00 C ATOM 379 CE LYS A 171 -7.857 10.638 -5.244 1.00 0.00 C ATOM 380 NZ LYS A 171 -7.255 11.700 -6.096 1.00 0.00 N ATOM 0 H LYS A 171 -6.011 12.071 -0.325 1.00 0.00 H new ATOM 0 HA LYS A 171 -8.043 13.230 -2.043 1.00 0.00 H new ATOM 0 HB2 LYS A 171 -7.296 10.380 -1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 171 -8.571 10.781 -2.413 1.00 0.00 H new ATOM 0 HG2 LYS A 171 -6.616 12.171 -3.592 1.00 0.00 H new ATOM 0 HG3 LYS A 171 -5.598 11.034 -2.732 1.00 0.00 H new ATOM 0 HD2 LYS A 171 -5.944 9.841 -4.680 1.00 0.00 H new ATOM 0 HD3 LYS A 171 -7.282 9.233 -3.725 1.00 0.00 H new ATOM 0 HE2 LYS A 171 -8.181 9.808 -5.872 1.00 0.00 H new ATOM 0 HE3 LYS A 171 -8.746 11.029 -4.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 -7.795 11.782 -6.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 -7.280 12.608 -5.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 -6.269 11.453 -6.314 1.00 0.00 H new ATOM 394 N GLY A 172 -8.719 12.381 0.953 1.00 0.00 N ATOM 395 CA GLY A 172 -9.771 12.296 1.949 1.00 0.00 C ATOM 396 C GLY A 172 -10.177 10.865 2.241 1.00 0.00 C ATOM 397 O GLY A 172 -11.355 10.579 2.458 1.00 0.00 O ATOM 0 H GLY A 172 -7.775 12.452 1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 172 -9.434 12.770 2.871 1.00 0.00 H new ATOM 0 HA3 GLY A 172 -10.641 12.854 1.603 1.00 0.00 H new ATOM 401 N TRP A 173 -9.201 9.964 2.246 1.00 0.00 N ATOM 402 CA TRP A 173 -9.464 8.554 2.512 1.00 0.00 C ATOM 403 C TRP A 173 -8.773 8.104 3.794 1.00 0.00 C ATOM 404 O TRP A 173 -8.018 8.863 4.402 1.00 0.00 O ATOM 405 CB TRP A 173 -8.994 7.696 1.336 1.00 0.00 C ATOM 406 CG TRP A 173 -9.683 8.026 0.047 1.00 0.00 C ATOM 407 CD1 TRP A 173 -10.890 8.648 -0.102 1.00 0.00 C ATOM 408 CD2 TRP A 173 -9.206 7.751 -1.275 1.00 0.00 C ATOM 409 NE1 TRP A 173 -11.192 8.775 -1.437 1.00 0.00 N ATOM 410 CE2 TRP A 173 -10.174 8.234 -2.177 1.00 0.00 C ATOM 411 CE3 TRP A 173 -8.054 7.146 -1.784 1.00 0.00 C ATOM 412 CZ2 TRP A 173 -10.024 8.128 -3.557 1.00 0.00 C ATOM 413 CZ3 TRP A 173 -7.907 7.041 -3.154 1.00 0.00 C ATOM 414 CH2 TRP A 173 -8.887 7.531 -4.028 1.00 0.00 C ATOM 0 H TRP A 173 -8.221 10.184 2.069 1.00 0.00 H new ATOM 0 HA TRP A 173 -10.539 8.428 2.638 1.00 0.00 H new ATOM 0 HB2 TRP A 173 -7.919 7.825 1.208 1.00 0.00 H new ATOM 0 HB3 TRP A 173 -9.163 6.645 1.572 1.00 0.00 H new ATOM 0 HD1 TRP A 173 -11.515 8.990 0.710 1.00 0.00 H new ATOM 0 HE1 TRP A 173 -12.037 9.203 -1.815 1.00 0.00 H new ATOM 0 HE3 TRP A 173 -7.292 6.767 -1.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 173 -10.779 8.504 -4.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 173 -7.022 6.573 -3.558 1.00 0.00 H new ATOM 0 HH2 TRP A 173 -8.742 7.435 -5.094 1.00 0.00 H new ATOM 425 N ARG A 174 -9.036 6.866 4.200 1.00 0.00 N ATOM 426 CA ARG A 174 -8.439 6.316 5.411 1.00 0.00 C ATOM 427 C ARG A 174 -7.348 5.306 5.069 1.00 0.00 C ATOM 428 O ARG A 174 -7.256 4.835 3.934 1.00 0.00 O ATOM 429 CB ARG A 174 -9.511 5.652 6.277 1.00 0.00 C ATOM 430 CG ARG A 174 -10.207 4.485 5.597 1.00 0.00 C ATOM 431 CD ARG A 174 -11.240 3.843 6.510 1.00 0.00 C ATOM 432 NE ARG A 174 -11.509 2.456 6.142 1.00 0.00 N ATOM 433 CZ ARG A 174 -12.616 1.806 6.484 1.00 0.00 C ATOM 434 NH1 ARG A 174 -13.552 2.415 7.199 1.00 0.00 N ATOM 435 NH2 ARG A 174 -12.789 0.544 6.112 1.00 0.00 N ATOM 0 H ARG A 174 -9.659 6.225 3.708 1.00 0.00 H new ATOM 0 HA ARG A 174 -7.988 7.137 5.969 1.00 0.00 H new ATOM 0 HB2 ARG A 174 -9.053 5.302 7.202 1.00 0.00 H new ATOM 0 HB3 ARG A 174 -10.256 6.398 6.553 1.00 0.00 H new ATOM 0 HG2 ARG A 174 -10.692 4.831 4.684 1.00 0.00 H new ATOM 0 HG3 ARG A 174 -9.467 3.740 5.303 1.00 0.00 H new ATOM 0 HD2 ARG A 174 -10.887 3.883 7.541 1.00 0.00 H new ATOM 0 HD3 ARG A 174 -12.167 4.415 6.468 1.00 0.00 H new ATOM 0 HE ARG A 174 -10.808 1.959 5.592 1.00 0.00 H new ATOM 0 HH11 ARG A 174 -13.423 3.385 7.488 1.00 0.00 H new ATOM 0 HH12 ARG A 174 -14.401 1.914 7.460 1.00 0.00 H new ATOM 0 HH21 ARG A 174 -12.071 0.071 5.563 1.00 0.00 H new ATOM 0 HH22 ARG A 174 -13.640 0.047 6.376 1.00 0.00 H new ATOM 449 N LEU A 175 -6.524 4.976 6.057 1.00 0.00 N ATOM 450 CA LEU A 175 -5.438 4.022 5.861 1.00 0.00 C ATOM 451 C LEU A 175 -5.905 2.829 5.033 1.00 0.00 C ATOM 452 O LEU A 175 -7.030 2.349 5.170 1.00 0.00 O ATOM 453 CB LEU A 175 -4.905 3.542 7.213 1.00 0.00 C ATOM 454 CG LEU A 175 -3.971 4.505 7.946 1.00 0.00 C ATOM 455 CD1 LEU A 175 -3.888 4.149 9.422 1.00 0.00 C ATOM 456 CD2 LEU A 175 -2.587 4.492 7.314 1.00 0.00 C ATOM 0 H LEU A 175 -6.587 5.355 7.002 1.00 0.00 H new ATOM 0 HA LEU A 175 -4.637 4.526 5.320 1.00 0.00 H new ATOM 0 HB2 LEU A 175 -5.755 3.328 7.861 1.00 0.00 H new ATOM 0 HB3 LEU A 175 -4.377 2.601 7.059 1.00 0.00 H new ATOM 0 HG LEU A 175 -4.379 5.512 7.858 1.00 0.00 H new ATOM 0 HD11 LEU A 175 -3.219 4.845 9.927 1.00 0.00 H new ATOM 0 HD12 LEU A 175 -4.881 4.212 9.868 1.00 0.00 H new ATOM 0 HD13 LEU A 175 -3.505 3.134 9.531 1.00 0.00 H new ATOM 0 HD21 LEU A 175 -1.936 5.183 7.849 1.00 0.00 H new ATOM 0 HD22 LEU A 175 -2.171 3.486 7.369 1.00 0.00 H new ATOM 0 HD23 LEU A 175 -2.661 4.797 6.270 1.00 0.00 H new ATOM 468 N PRO A 176 -5.019 2.335 4.155 1.00 0.00 N ATOM 469 CA PRO A 176 -5.317 1.190 3.289 1.00 0.00 C ATOM 470 C PRO A 176 -5.418 -0.116 4.070 1.00 0.00 C ATOM 471 O PRO A 176 -4.681 -0.333 5.031 1.00 0.00 O ATOM 472 CB PRO A 176 -4.124 1.150 2.331 1.00 0.00 C ATOM 473 CG PRO A 176 -3.015 1.804 3.080 1.00 0.00 C ATOM 474 CD PRO A 176 -3.659 2.857 3.939 1.00 0.00 C ATOM 0 HA PRO A 176 -6.279 1.297 2.788 1.00 0.00 H new ATOM 0 HB2 PRO A 176 -3.868 0.126 2.060 1.00 0.00 H new ATOM 0 HB3 PRO A 176 -4.343 1.680 1.404 1.00 0.00 H new ATOM 0 HG2 PRO A 176 -2.476 1.079 3.690 1.00 0.00 H new ATOM 0 HG3 PRO A 176 -2.291 2.247 2.397 1.00 0.00 H new ATOM 0 HD2 PRO A 176 -3.125 2.990 4.880 1.00 0.00 H new ATOM 0 HD3 PRO A 176 -3.675 3.827 3.442 1.00 0.00 H new ATOM 482 N GLU A 177 -6.335 -0.982 3.650 1.00 0.00 N ATOM 483 CA GLU A 177 -6.531 -2.266 4.312 1.00 0.00 C ATOM 484 C GLU A 177 -5.690 -3.354 3.650 1.00 0.00 C ATOM 485 O GLU A 177 -5.730 -3.528 2.431 1.00 0.00 O ATOM 486 CB GLU A 177 -8.009 -2.660 4.282 1.00 0.00 C ATOM 487 CG GLU A 177 -8.297 -3.998 4.943 1.00 0.00 C ATOM 488 CD GLU A 177 -8.183 -5.162 3.978 1.00 0.00 C ATOM 489 OE1 GLU A 177 -7.057 -5.664 3.783 1.00 0.00 O ATOM 490 OE2 GLU A 177 -9.222 -5.571 3.418 1.00 0.00 O ATOM 0 H GLU A 177 -6.953 -0.818 2.855 1.00 0.00 H new ATOM 0 HA GLU A 177 -6.210 -2.164 5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 177 -8.593 -1.886 4.780 1.00 0.00 H new ATOM 0 HB3 GLU A 177 -8.345 -2.696 3.246 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -7.603 -4.147 5.770 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -9.300 -3.980 5.368 1.00 0.00 H new ATOM 497 N TYR A 178 -4.930 -4.081 4.460 1.00 0.00 N ATOM 498 CA TYR A 178 -4.076 -5.149 3.953 1.00 0.00 C ATOM 499 C TYR A 178 -4.479 -6.496 4.546 1.00 0.00 C ATOM 500 O TYR A 178 -4.380 -6.711 5.755 1.00 0.00 O ATOM 501 CB TYR A 178 -2.610 -4.855 4.276 1.00 0.00 C ATOM 502 CG TYR A 178 -2.105 -3.563 3.675 1.00 0.00 C ATOM 503 CD1 TYR A 178 -1.770 -3.485 2.328 1.00 0.00 C ATOM 504 CD2 TYR A 178 -1.961 -2.421 4.453 1.00 0.00 C ATOM 505 CE1 TYR A 178 -1.307 -2.307 1.775 1.00 0.00 C ATOM 506 CE2 TYR A 178 -1.501 -1.239 3.907 1.00 0.00 C ATOM 507 CZ TYR A 178 -1.175 -1.186 2.568 1.00 0.00 C ATOM 508 OH TYR A 178 -0.715 -0.011 2.021 1.00 0.00 O ATOM 0 H TYR A 178 -4.887 -3.951 5.471 1.00 0.00 H new ATOM 0 HA TYR A 178 -4.200 -5.197 2.871 1.00 0.00 H new ATOM 0 HB2 TYR A 178 -2.486 -4.815 5.358 1.00 0.00 H new ATOM 0 HB3 TYR A 178 -1.995 -5.679 3.915 1.00 0.00 H new ATOM 0 HD1 TYR A 178 -1.873 -4.360 1.704 1.00 0.00 H new ATOM 0 HD2 TYR A 178 -2.213 -2.458 5.503 1.00 0.00 H new ATOM 0 HE1 TYR A 178 -1.050 -2.264 0.727 1.00 0.00 H new ATOM 0 HE2 TYR A 178 -1.397 -0.360 4.526 1.00 0.00 H new ATOM 0 HH TYR A 178 -1.242 0.207 1.224 1.00 0.00 H new ATOM 518 N THR A 179 -4.934 -7.402 3.686 1.00 0.00 N ATOM 519 CA THR A 179 -5.353 -8.728 4.122 1.00 0.00 C ATOM 520 C THR A 179 -4.874 -9.802 3.153 1.00 0.00 C ATOM 521 O THR A 179 -5.093 -9.705 1.945 1.00 0.00 O ATOM 522 CB THR A 179 -6.885 -8.817 4.255 1.00 0.00 C ATOM 523 OG1 THR A 179 -7.347 -7.881 5.235 1.00 0.00 O ATOM 524 CG2 THR A 179 -7.312 -10.223 4.648 1.00 0.00 C ATOM 0 H THR A 179 -5.022 -7.241 2.683 1.00 0.00 H new ATOM 0 HA THR A 179 -4.901 -8.898 5.099 1.00 0.00 H new ATOM 0 HB THR A 179 -7.327 -8.577 3.288 1.00 0.00 H new ATOM 0 HG1 THR A 179 -7.036 -6.982 5.001 1.00 0.00 H new ATOM 0 HG21 THR A 179 -8.398 -10.262 4.736 1.00 0.00 H new ATOM 0 HG22 THR A 179 -6.984 -10.929 3.885 1.00 0.00 H new ATOM 0 HG23 THR A 179 -6.861 -10.486 5.605 1.00 0.00 H new ATOM 532 N VAL A 180 -4.221 -10.828 3.689 1.00 0.00 N ATOM 533 CA VAL A 180 -3.713 -11.923 2.871 1.00 0.00 C ATOM 534 C VAL A 180 -4.852 -12.687 2.207 1.00 0.00 C ATOM 535 O VAL A 180 -5.676 -13.307 2.882 1.00 0.00 O ATOM 536 CB VAL A 180 -2.869 -12.903 3.707 1.00 0.00 C ATOM 537 CG1 VAL A 180 -2.395 -14.066 2.848 1.00 0.00 C ATOM 538 CG2 VAL A 180 -1.690 -12.183 4.342 1.00 0.00 C ATOM 0 H VAL A 180 -4.031 -10.924 4.687 1.00 0.00 H new ATOM 0 HA VAL A 180 -3.082 -11.478 2.102 1.00 0.00 H new ATOM 0 HB VAL A 180 -3.493 -13.303 4.506 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -1.800 -14.748 3.455 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -3.258 -14.597 2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -1.787 -13.687 2.027 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -1.105 -12.891 4.929 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -1.063 -11.753 3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -2.056 -11.388 4.992 1.00 0.00 H new ATOM 548 N THR A 181 -4.895 -12.641 0.879 1.00 0.00 N ATOM 549 CA THR A 181 -5.933 -13.329 0.123 1.00 0.00 C ATOM 550 C THR A 181 -5.517 -14.757 -0.210 1.00 0.00 C ATOM 551 O THR A 181 -6.192 -15.714 0.168 1.00 0.00 O ATOM 552 CB THR A 181 -6.263 -12.584 -1.184 1.00 0.00 C ATOM 553 OG1 THR A 181 -5.054 -12.209 -1.853 1.00 0.00 O ATOM 554 CG2 THR A 181 -7.099 -11.344 -0.905 1.00 0.00 C ATOM 0 H THR A 181 -4.222 -12.134 0.305 1.00 0.00 H new ATOM 0 HA THR A 181 -6.821 -13.351 0.754 1.00 0.00 H new ATOM 0 HB THR A 181 -6.838 -13.255 -1.822 1.00 0.00 H new ATOM 0 HG1 THR A 181 -5.105 -11.266 -2.116 1.00 0.00 H new ATOM 0 HG21 THR A 181 -7.319 -10.835 -1.843 1.00 0.00 H new ATOM 0 HG22 THR A 181 -8.032 -11.635 -0.423 1.00 0.00 H new ATOM 0 HG23 THR A 181 -6.546 -10.672 -0.249 1.00 0.00 H new ATOM 562 N GLN A 182 -4.401 -14.892 -0.920 1.00 0.00 N ATOM 563 CA GLN A 182 -3.895 -16.205 -1.304 1.00 0.00 C ATOM 564 C GLN A 182 -2.523 -16.461 -0.689 1.00 0.00 C ATOM 565 O GLN A 182 -1.783 -15.525 -0.391 1.00 0.00 O ATOM 566 CB GLN A 182 -3.814 -16.318 -2.827 1.00 0.00 C ATOM 567 CG GLN A 182 -3.944 -17.743 -3.339 1.00 0.00 C ATOM 568 CD GLN A 182 -5.383 -18.138 -3.605 1.00 0.00 C ATOM 569 OE1 GLN A 182 -6.202 -17.311 -4.007 1.00 0.00 O ATOM 570 NE2 GLN A 182 -5.700 -19.409 -3.382 1.00 0.00 N ATOM 0 H GLN A 182 -3.831 -14.109 -1.241 1.00 0.00 H new ATOM 0 HA GLN A 182 -4.587 -16.958 -0.927 1.00 0.00 H new ATOM 0 HB2 GLN A 182 -4.601 -15.708 -3.271 1.00 0.00 H new ATOM 0 HB3 GLN A 182 -2.863 -15.905 -3.164 1.00 0.00 H new ATOM 0 HG2 GLN A 182 -3.366 -17.849 -4.257 1.00 0.00 H new ATOM 0 HG3 GLN A 182 -3.512 -18.428 -2.609 1.00 0.00 H new ATOM 0 HE21 GLN A 182 -4.990 -20.061 -3.049 1.00 0.00 H new ATOM 0 HE22 GLN A 182 -6.654 -19.733 -3.544 1.00 0.00 H new ATOM 579 N GLU A 183 -2.192 -17.735 -0.501 1.00 0.00 N ATOM 580 CA GLU A 183 -0.909 -18.112 0.080 1.00 0.00 C ATOM 581 C GLU A 183 -0.388 -19.403 -0.546 1.00 0.00 C ATOM 582 O GLU A 183 -0.986 -20.468 -0.388 1.00 0.00 O ATOM 583 CB GLU A 183 -1.041 -18.283 1.594 1.00 0.00 C ATOM 584 CG GLU A 183 -1.718 -17.110 2.283 1.00 0.00 C ATOM 585 CD GLU A 183 -3.231 -17.196 2.230 1.00 0.00 C ATOM 586 OE1 GLU A 183 -3.799 -18.067 2.922 1.00 0.00 O ATOM 587 OE2 GLU A 183 -3.846 -16.394 1.498 1.00 0.00 O ATOM 0 H GLU A 183 -2.794 -18.522 -0.742 1.00 0.00 H new ATOM 0 HA GLU A 183 -0.196 -17.314 -0.127 1.00 0.00 H new ATOM 0 HB2 GLU A 183 -1.608 -19.191 1.800 1.00 0.00 H new ATOM 0 HB3 GLU A 183 -0.049 -18.422 2.023 1.00 0.00 H new ATOM 0 HG2 GLU A 183 -1.396 -17.070 3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 183 -1.394 -16.181 1.813 1.00 0.00 H new ATOM 594 N SER A 184 0.731 -19.300 -1.256 1.00 0.00 N ATOM 595 CA SER A 184 1.331 -20.457 -1.909 1.00 0.00 C ATOM 596 C SER A 184 2.842 -20.476 -1.699 1.00 0.00 C ATOM 597 O SER A 184 3.419 -19.526 -1.173 1.00 0.00 O ATOM 598 CB SER A 184 1.013 -20.447 -3.405 1.00 0.00 C ATOM 599 OG SER A 184 1.300 -21.703 -3.996 1.00 0.00 O ATOM 0 H SER A 184 1.240 -18.427 -1.394 1.00 0.00 H new ATOM 0 HA SER A 184 0.908 -21.356 -1.461 1.00 0.00 H new ATOM 0 HB2 SER A 184 -0.039 -20.203 -3.555 1.00 0.00 H new ATOM 0 HB3 SER A 184 1.594 -19.668 -3.898 1.00 0.00 H new ATOM 0 HG SER A 184 1.087 -21.671 -4.952 1.00 0.00 H new ATOM 605 N GLY A 185 3.478 -21.567 -2.116 1.00 0.00 N ATOM 606 CA GLY A 185 4.916 -21.691 -1.965 1.00 0.00 C ATOM 607 C GLY A 185 5.302 -22.610 -0.824 1.00 0.00 C ATOM 608 O GLY A 185 4.636 -22.665 0.210 1.00 0.00 O ATOM 0 H GLY A 185 3.023 -22.367 -2.556 1.00 0.00 H new ATOM 0 HA2 GLY A 185 5.344 -22.070 -2.893 1.00 0.00 H new ATOM 0 HA3 GLY A 185 5.347 -20.704 -1.794 1.00 0.00 H new ATOM 612 N PRO A 186 6.402 -23.356 -1.006 1.00 0.00 N ATOM 613 CA PRO A 186 6.900 -24.292 0.006 1.00 0.00 C ATOM 614 C PRO A 186 7.468 -23.577 1.228 1.00 0.00 C ATOM 615 O PRO A 186 7.379 -22.355 1.341 1.00 0.00 O ATOM 616 CB PRO A 186 8.006 -25.054 -0.728 1.00 0.00 C ATOM 617 CG PRO A 186 8.462 -24.122 -1.798 1.00 0.00 C ATOM 618 CD PRO A 186 7.245 -23.342 -2.213 1.00 0.00 C ATOM 0 HA PRO A 186 6.107 -24.932 0.393 1.00 0.00 H new ATOM 0 HB2 PRO A 186 8.823 -25.313 -0.054 1.00 0.00 H new ATOM 0 HB3 PRO A 186 7.632 -25.987 -1.149 1.00 0.00 H new ATOM 0 HG2 PRO A 186 9.244 -23.458 -1.430 1.00 0.00 H new ATOM 0 HG3 PRO A 186 8.880 -24.671 -2.642 1.00 0.00 H new ATOM 0 HD2 PRO A 186 7.502 -22.326 -2.512 1.00 0.00 H new ATOM 0 HD3 PRO A 186 6.741 -23.806 -3.061 1.00 0.00 H new ATOM 626 N ALA A 187 8.051 -24.347 2.141 1.00 0.00 N ATOM 627 CA ALA A 187 8.635 -23.787 3.353 1.00 0.00 C ATOM 628 C ALA A 187 9.891 -22.983 3.036 1.00 0.00 C ATOM 629 O ALA A 187 10.100 -21.897 3.580 1.00 0.00 O ATOM 630 CB ALA A 187 8.952 -24.894 4.347 1.00 0.00 C ATOM 0 H ALA A 187 8.131 -25.361 2.064 1.00 0.00 H new ATOM 0 HA ALA A 187 7.905 -23.111 3.799 1.00 0.00 H new ATOM 0 HB1 ALA A 187 9.388 -24.461 5.247 1.00 0.00 H new ATOM 0 HB2 ALA A 187 8.035 -25.424 4.606 1.00 0.00 H new ATOM 0 HB3 ALA A 187 9.661 -25.592 3.901 1.00 0.00 H new ATOM 636 N HIS A 188 10.727 -23.522 2.153 1.00 0.00 N ATOM 637 CA HIS A 188 11.963 -22.854 1.764 1.00 0.00 C ATOM 638 C HIS A 188 11.669 -21.571 0.993 1.00 0.00 C ATOM 639 O HIS A 188 12.360 -20.565 1.154 1.00 0.00 O ATOM 640 CB HIS A 188 12.826 -23.787 0.914 1.00 0.00 C ATOM 641 CG HIS A 188 12.036 -24.632 -0.037 1.00 0.00 C ATOM 642 ND1 HIS A 188 11.444 -25.823 0.327 1.00 0.00 N ATOM 643 CD2 HIS A 188 11.740 -24.451 -1.346 1.00 0.00 C ATOM 644 CE1 HIS A 188 10.820 -26.339 -0.716 1.00 0.00 C ATOM 645 NE2 HIS A 188 10.984 -25.526 -1.744 1.00 0.00 N ATOM 0 H HIS A 188 10.570 -24.419 1.694 1.00 0.00 H new ATOM 0 HA HIS A 188 12.507 -22.594 2.672 1.00 0.00 H new ATOM 0 HB2 HIS A 188 13.543 -23.191 0.349 1.00 0.00 H new ATOM 0 HB3 HIS A 188 13.402 -24.437 1.573 1.00 0.00 H new ATOM 0 HD1 HIS A 188 11.482 -26.240 1.257 1.00 0.00 H new ATOM 0 HD2 HIS A 188 12.042 -23.617 -1.962 1.00 0.00 H new ATOM 0 HE1 HIS A 188 10.269 -27.268 -0.727 1.00 0.00 H new ATOM 653 N ARG A 189 10.638 -21.614 0.155 1.00 0.00 N ATOM 654 CA ARG A 189 10.253 -20.455 -0.643 1.00 0.00 C ATOM 655 C ARG A 189 8.795 -20.083 -0.392 1.00 0.00 C ATOM 656 O ARG A 189 7.908 -20.449 -1.163 1.00 0.00 O ATOM 657 CB ARG A 189 10.470 -20.739 -2.130 1.00 0.00 C ATOM 658 CG ARG A 189 11.925 -20.982 -2.498 1.00 0.00 C ATOM 659 CD ARG A 189 12.637 -19.683 -2.840 1.00 0.00 C ATOM 660 NE ARG A 189 12.327 -19.227 -4.192 1.00 0.00 N ATOM 661 CZ ARG A 189 12.590 -18.003 -4.634 1.00 0.00 C ATOM 662 NH1 ARG A 189 13.166 -17.115 -3.834 1.00 0.00 N ATOM 663 NH2 ARG A 189 12.278 -17.663 -5.878 1.00 0.00 N ATOM 0 H ARG A 189 10.055 -22.438 0.011 1.00 0.00 H new ATOM 0 HA ARG A 189 10.881 -19.615 -0.345 1.00 0.00 H new ATOM 0 HB2 ARG A 189 9.882 -21.611 -2.414 1.00 0.00 H new ATOM 0 HB3 ARG A 189 10.093 -19.897 -2.711 1.00 0.00 H new ATOM 0 HG2 ARG A 189 12.435 -21.470 -1.667 1.00 0.00 H new ATOM 0 HG3 ARG A 189 11.978 -21.662 -3.348 1.00 0.00 H new ATOM 0 HD2 ARG A 189 12.350 -18.913 -2.123 1.00 0.00 H new ATOM 0 HD3 ARG A 189 13.714 -19.824 -2.743 1.00 0.00 H new ATOM 0 HE ARG A 189 11.884 -19.885 -4.833 1.00 0.00 H new ATOM 0 HH11 ARG A 189 13.408 -17.372 -2.877 1.00 0.00 H new ATOM 0 HH12 ARG A 189 13.367 -16.175 -4.176 1.00 0.00 H new ATOM 0 HH21 ARG A 189 11.835 -18.342 -6.497 1.00 0.00 H new ATOM 0 HH22 ARG A 189 12.481 -16.722 -6.216 1.00 0.00 H new ATOM 677 N LYS A 190 8.554 -19.354 0.692 1.00 0.00 N ATOM 678 CA LYS A 190 7.204 -18.930 1.046 1.00 0.00 C ATOM 679 C LYS A 190 6.814 -17.666 0.286 1.00 0.00 C ATOM 680 O LYS A 190 7.589 -16.713 0.211 1.00 0.00 O ATOM 681 CB LYS A 190 7.103 -18.684 2.553 1.00 0.00 C ATOM 682 CG LYS A 190 6.984 -19.959 3.370 1.00 0.00 C ATOM 683 CD LYS A 190 5.553 -20.470 3.403 1.00 0.00 C ATOM 684 CE LYS A 190 5.468 -21.848 4.040 1.00 0.00 C ATOM 685 NZ LYS A 190 4.059 -22.314 4.166 1.00 0.00 N ATOM 0 H LYS A 190 9.277 -19.044 1.342 1.00 0.00 H new ATOM 0 HA LYS A 190 6.515 -19.727 0.768 1.00 0.00 H new ATOM 0 HB2 LYS A 190 7.983 -18.132 2.882 1.00 0.00 H new ATOM 0 HB3 LYS A 190 6.237 -18.052 2.752 1.00 0.00 H new ATOM 0 HG2 LYS A 190 7.635 -20.725 2.948 1.00 0.00 H new ATOM 0 HG3 LYS A 190 7.328 -19.774 4.387 1.00 0.00 H new ATOM 0 HD2 LYS A 190 4.929 -19.771 3.960 1.00 0.00 H new ATOM 0 HD3 LYS A 190 5.157 -20.512 2.388 1.00 0.00 H new ATOM 0 HE2 LYS A 190 6.034 -22.561 3.441 1.00 0.00 H new ATOM 0 HE3 LYS A 190 5.932 -21.822 5.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 190 4.043 -23.257 4.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 190 3.525 -21.647 4.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 190 3.624 -22.364 3.223 1.00 0.00 H new ATOM 699 N GLU A 191 5.608 -17.666 -0.273 1.00 0.00 N ATOM 700 CA GLU A 191 5.116 -16.518 -1.026 1.00 0.00 C ATOM 701 C GLU A 191 3.665 -16.211 -0.665 1.00 0.00 C ATOM 702 O GLU A 191 2.766 -17.008 -0.933 1.00 0.00 O ATOM 703 CB GLU A 191 5.236 -16.776 -2.529 1.00 0.00 C ATOM 704 CG GLU A 191 4.700 -15.641 -3.387 1.00 0.00 C ATOM 705 CD GLU A 191 5.267 -15.655 -4.793 1.00 0.00 C ATOM 706 OE1 GLU A 191 5.563 -16.755 -5.303 1.00 0.00 O ATOM 707 OE2 GLU A 191 5.415 -14.564 -5.383 1.00 0.00 O ATOM 0 H GLU A 191 4.954 -18.447 -0.219 1.00 0.00 H new ATOM 0 HA GLU A 191 5.728 -15.655 -0.763 1.00 0.00 H new ATOM 0 HB2 GLU A 191 6.284 -16.944 -2.778 1.00 0.00 H new ATOM 0 HB3 GLU A 191 4.699 -17.692 -2.776 1.00 0.00 H new ATOM 0 HG2 GLU A 191 3.613 -15.710 -3.437 1.00 0.00 H new ATOM 0 HG3 GLU A 191 4.938 -14.689 -2.913 1.00 0.00 H new ATOM 714 N PHE A 192 3.446 -15.051 -0.055 1.00 0.00 N ATOM 715 CA PHE A 192 2.105 -14.640 0.344 1.00 0.00 C ATOM 716 C PHE A 192 1.568 -13.557 -0.588 1.00 0.00 C ATOM 717 O PHE A 192 2.300 -12.656 -1.000 1.00 0.00 O ATOM 718 CB PHE A 192 2.114 -14.128 1.786 1.00 0.00 C ATOM 719 CG PHE A 192 2.194 -15.224 2.810 1.00 0.00 C ATOM 720 CD1 PHE A 192 3.146 -16.225 2.700 1.00 0.00 C ATOM 721 CD2 PHE A 192 1.317 -15.253 3.883 1.00 0.00 C ATOM 722 CE1 PHE A 192 3.222 -17.235 3.641 1.00 0.00 C ATOM 723 CE2 PHE A 192 1.390 -16.260 4.827 1.00 0.00 C ATOM 724 CZ PHE A 192 2.342 -17.252 4.706 1.00 0.00 C ATOM 0 H PHE A 192 4.179 -14.380 0.174 1.00 0.00 H new ATOM 0 HA PHE A 192 1.451 -15.509 0.278 1.00 0.00 H new ATOM 0 HB2 PHE A 192 2.961 -13.455 1.919 1.00 0.00 H new ATOM 0 HB3 PHE A 192 1.211 -13.543 1.961 1.00 0.00 H new ATOM 0 HD1 PHE A 192 3.837 -16.216 1.870 1.00 0.00 H new ATOM 0 HD2 PHE A 192 0.569 -14.481 3.982 1.00 0.00 H new ATOM 0 HE1 PHE A 192 3.968 -18.010 3.544 1.00 0.00 H new ATOM 0 HE2 PHE A 192 0.702 -16.271 5.659 1.00 0.00 H new ATOM 0 HZ PHE A 192 2.399 -18.040 5.442 1.00 0.00 H new ATOM 734 N THR A 193 0.284 -13.652 -0.918 1.00 0.00 N ATOM 735 CA THR A 193 -0.352 -12.684 -1.802 1.00 0.00 C ATOM 736 C THR A 193 -1.412 -11.876 -1.062 1.00 0.00 C ATOM 737 O THR A 193 -2.540 -12.334 -0.881 1.00 0.00 O ATOM 738 CB THR A 193 -1.003 -13.374 -3.016 1.00 0.00 C ATOM 739 OG1 THR A 193 -0.042 -14.199 -3.684 1.00 0.00 O ATOM 740 CG2 THR A 193 -1.559 -12.345 -3.989 1.00 0.00 C ATOM 0 H THR A 193 -0.336 -14.390 -0.586 1.00 0.00 H new ATOM 0 HA THR A 193 0.433 -12.013 -2.152 1.00 0.00 H new ATOM 0 HB THR A 193 -1.825 -13.993 -2.657 1.00 0.00 H new ATOM 0 HG1 THR A 193 -0.464 -14.635 -4.453 1.00 0.00 H new ATOM 0 HG21 THR A 193 -2.014 -12.855 -4.838 1.00 0.00 H new ATOM 0 HG22 THR A 193 -2.311 -11.737 -3.486 1.00 0.00 H new ATOM 0 HG23 THR A 193 -0.751 -11.704 -4.341 1.00 0.00 H new ATOM 748 N MET A 194 -1.042 -10.673 -0.636 1.00 0.00 N ATOM 749 CA MET A 194 -1.964 -9.801 0.083 1.00 0.00 C ATOM 750 C MET A 194 -2.539 -8.735 -0.844 1.00 0.00 C ATOM 751 O MET A 194 -1.836 -8.195 -1.699 1.00 0.00 O ATOM 752 CB MET A 194 -1.254 -9.137 1.265 1.00 0.00 C ATOM 753 CG MET A 194 -2.166 -8.261 2.107 1.00 0.00 C ATOM 754 SD MET A 194 -1.693 -8.236 3.847 1.00 0.00 S ATOM 755 CE MET A 194 0.083 -8.044 3.712 1.00 0.00 C ATOM 0 H MET A 194 -0.111 -10.280 -0.776 1.00 0.00 H new ATOM 0 HA MET A 194 -2.785 -10.412 0.458 1.00 0.00 H new ATOM 0 HB2 MET A 194 -0.820 -9.910 1.899 1.00 0.00 H new ATOM 0 HB3 MET A 194 -0.428 -8.532 0.889 1.00 0.00 H new ATOM 0 HG2 MET A 194 -2.149 -7.244 1.715 1.00 0.00 H new ATOM 0 HG3 MET A 194 -3.191 -8.620 2.018 1.00 0.00 H new ATOM 0 HE1 MET A 194 0.476 -7.629 4.640 1.00 0.00 H new ATOM 0 HE2 MET A 194 0.541 -9.016 3.527 1.00 0.00 H new ATOM 0 HE3 MET A 194 0.314 -7.371 2.887 1.00 0.00 H new ATOM 765 N THR A 195 -3.822 -8.435 -0.669 1.00 0.00 N ATOM 766 CA THR A 195 -4.492 -7.435 -1.491 1.00 0.00 C ATOM 767 C THR A 195 -4.826 -6.190 -0.678 1.00 0.00 C ATOM 768 O THR A 195 -5.342 -6.284 0.437 1.00 0.00 O ATOM 769 CB THR A 195 -5.788 -7.993 -2.110 1.00 0.00 C ATOM 770 OG1 THR A 195 -5.586 -9.346 -2.533 1.00 0.00 O ATOM 771 CG2 THR A 195 -6.229 -7.147 -3.295 1.00 0.00 C ATOM 0 H THR A 195 -4.418 -8.870 0.035 1.00 0.00 H new ATOM 0 HA THR A 195 -3.801 -7.169 -2.291 1.00 0.00 H new ATOM 0 HB THR A 195 -6.569 -7.963 -1.351 1.00 0.00 H new ATOM 0 HG1 THR A 195 -6.164 -9.539 -3.300 1.00 0.00 H new ATOM 0 HG21 THR A 195 -7.146 -7.560 -3.716 1.00 0.00 H new ATOM 0 HG22 THR A 195 -6.410 -6.124 -2.965 1.00 0.00 H new ATOM 0 HG23 THR A 195 -5.448 -7.150 -4.055 1.00 0.00 H new ATOM 779 N CYS A 196 -4.531 -5.024 -1.242 1.00 0.00 N ATOM 780 CA CYS A 196 -4.800 -3.759 -0.568 1.00 0.00 C ATOM 781 C CYS A 196 -6.180 -3.226 -0.942 1.00 0.00 C ATOM 782 O CYS A 196 -6.429 -2.877 -2.096 1.00 0.00 O ATOM 783 CB CYS A 196 -3.728 -2.728 -0.927 1.00 0.00 C ATOM 784 SG CYS A 196 -4.148 -1.033 -0.459 1.00 0.00 S ATOM 0 H CYS A 196 -4.106 -4.928 -2.164 1.00 0.00 H new ATOM 0 HA CYS A 196 -4.778 -3.937 0.507 1.00 0.00 H new ATOM 0 HB2 CYS A 196 -2.793 -3.007 -0.440 1.00 0.00 H new ATOM 0 HB3 CYS A 196 -3.551 -2.763 -2.002 1.00 0.00 H new ATOM 0 HG CYS A 196 -3.180 -0.236 -0.802 1.00 0.00 H new ATOM 790 N ARG A 197 -7.072 -3.169 0.041 1.00 0.00 N ATOM 791 CA ARG A 197 -8.428 -2.683 -0.186 1.00 0.00 C ATOM 792 C ARG A 197 -8.543 -1.205 0.178 1.00 0.00 C ATOM 793 O ARG A 197 -8.495 -0.839 1.353 1.00 0.00 O ATOM 794 CB ARG A 197 -9.429 -3.500 0.632 1.00 0.00 C ATOM 795 CG ARG A 197 -10.845 -3.457 0.081 1.00 0.00 C ATOM 796 CD ARG A 197 -11.692 -4.595 0.630 1.00 0.00 C ATOM 797 NE ARG A 197 -13.114 -4.265 0.636 1.00 0.00 N ATOM 798 CZ ARG A 197 -14.069 -5.132 0.954 1.00 0.00 C ATOM 799 NH1 ARG A 197 -13.754 -6.376 1.291 1.00 0.00 N ATOM 800 NH2 ARG A 197 -15.341 -4.757 0.936 1.00 0.00 N ATOM 0 H ARG A 197 -6.881 -3.453 1.002 1.00 0.00 H new ATOM 0 HA ARG A 197 -8.656 -2.798 -1.246 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -9.094 -4.537 0.670 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -9.436 -3.130 1.657 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -11.307 -2.503 0.336 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -10.815 -3.516 -1.007 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -11.530 -5.490 0.029 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -11.370 -4.830 1.645 1.00 0.00 H new ATOM 0 HE ARG A 197 -13.390 -3.316 0.382 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -12.777 -6.668 1.306 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -14.489 -7.040 1.535 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -15.587 -3.802 0.678 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -16.073 -5.424 1.180 1.00 0.00 H new ATOM 814 N VAL A 198 -8.695 -0.361 -0.837 1.00 0.00 N ATOM 815 CA VAL A 198 -8.818 1.076 -0.624 1.00 0.00 C ATOM 816 C VAL A 198 -10.270 1.527 -0.743 1.00 0.00 C ATOM 817 O VAL A 198 -11.085 0.865 -1.385 1.00 0.00 O ATOM 818 CB VAL A 198 -7.962 1.868 -1.630 1.00 0.00 C ATOM 819 CG1 VAL A 198 -8.365 3.334 -1.637 1.00 0.00 C ATOM 820 CG2 VAL A 198 -6.483 1.714 -1.308 1.00 0.00 C ATOM 0 H VAL A 198 -8.736 -0.647 -1.815 1.00 0.00 H new ATOM 0 HA VAL A 198 -8.459 1.278 0.385 1.00 0.00 H new ATOM 0 HB VAL A 198 -8.137 1.464 -2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 198 -7.749 3.877 -2.354 1.00 0.00 H new ATOM 0 HG12 VAL A 198 -9.414 3.422 -1.920 1.00 0.00 H new ATOM 0 HG13 VAL A 198 -8.221 3.756 -0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 198 -5.893 2.280 -2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 198 -6.288 2.091 -0.304 1.00 0.00 H new ATOM 0 HG23 VAL A 198 -6.207 0.661 -1.360 1.00 0.00 H new ATOM 830 N GLU A 199 -10.585 2.659 -0.122 1.00 0.00 N ATOM 831 CA GLU A 199 -11.939 3.199 -0.158 1.00 0.00 C ATOM 832 C GLU A 199 -12.612 2.889 -1.492 1.00 0.00 C ATOM 833 O GLU A 199 -13.573 2.121 -1.551 1.00 0.00 O ATOM 834 CB GLU A 199 -11.916 4.711 0.074 1.00 0.00 C ATOM 835 CG GLU A 199 -11.509 5.103 1.485 1.00 0.00 C ATOM 836 CD GLU A 199 -12.671 5.069 2.458 1.00 0.00 C ATOM 837 OE1 GLU A 199 -13.361 4.030 2.523 1.00 0.00 O ATOM 838 OE2 GLU A 199 -12.890 6.082 3.156 1.00 0.00 O ATOM 0 H GLU A 199 -9.921 3.220 0.412 1.00 0.00 H new ATOM 0 HA GLU A 199 -12.513 2.725 0.639 1.00 0.00 H new ATOM 0 HB2 GLU A 199 -11.226 5.169 -0.635 1.00 0.00 H new ATOM 0 HB3 GLU A 199 -12.905 5.118 -0.136 1.00 0.00 H new ATOM 0 HG2 GLU A 199 -10.728 4.428 1.834 1.00 0.00 H new ATOM 0 HG3 GLU A 199 -11.081 6.106 1.470 1.00 0.00 H new ATOM 845 N ARG A 200 -12.101 3.491 -2.560 1.00 0.00 N ATOM 846 CA ARG A 200 -12.653 3.281 -3.893 1.00 0.00 C ATOM 847 C ARG A 200 -11.586 2.751 -4.847 1.00 0.00 C ATOM 848 O ARG A 200 -11.617 3.028 -6.046 1.00 0.00 O ATOM 849 CB ARG A 200 -13.236 4.586 -4.438 1.00 0.00 C ATOM 850 CG ARG A 200 -14.609 4.920 -3.880 1.00 0.00 C ATOM 851 CD ARG A 200 -14.851 6.422 -3.857 1.00 0.00 C ATOM 852 NE ARG A 200 -14.832 7.000 -5.198 1.00 0.00 N ATOM 853 CZ ARG A 200 -14.787 8.306 -5.434 1.00 0.00 C ATOM 854 NH1 ARG A 200 -14.757 9.165 -4.425 1.00 0.00 N ATOM 855 NH2 ARG A 200 -14.772 8.755 -6.683 1.00 0.00 N ATOM 0 H ARG A 200 -11.305 4.128 -2.529 1.00 0.00 H new ATOM 0 HA ARG A 200 -13.448 2.539 -3.816 1.00 0.00 H new ATOM 0 HB2 ARG A 200 -12.552 5.403 -4.209 1.00 0.00 H new ATOM 0 HB3 ARG A 200 -13.301 4.519 -5.524 1.00 0.00 H new ATOM 0 HG2 ARG A 200 -15.376 4.436 -4.484 1.00 0.00 H new ATOM 0 HG3 ARG A 200 -14.700 4.520 -2.870 1.00 0.00 H new ATOM 0 HD2 ARG A 200 -15.813 6.627 -3.388 1.00 0.00 H new ATOM 0 HD3 ARG A 200 -14.088 6.903 -3.244 1.00 0.00 H new ATOM 0 HE ARG A 200 -14.855 6.366 -5.997 1.00 0.00 H new ATOM 0 HH11 ARG A 200 -14.768 8.823 -3.464 1.00 0.00 H new ATOM 0 HH12 ARG A 200 -14.722 10.168 -4.610 1.00 0.00 H new ATOM 0 HH21 ARG A 200 -14.795 8.097 -7.462 1.00 0.00 H new ATOM 0 HH22 ARG A 200 -14.737 9.758 -6.864 1.00 0.00 H new ATOM 869 N PHE A 201 -10.642 1.988 -4.305 1.00 0.00 N ATOM 870 CA PHE A 201 -9.565 1.420 -5.106 1.00 0.00 C ATOM 871 C PHE A 201 -9.136 0.062 -4.558 1.00 0.00 C ATOM 872 O PHE A 201 -9.336 -0.234 -3.379 1.00 0.00 O ATOM 873 CB PHE A 201 -8.367 2.372 -5.137 1.00 0.00 C ATOM 874 CG PHE A 201 -8.493 3.461 -6.163 1.00 0.00 C ATOM 875 CD1 PHE A 201 -9.340 4.537 -5.950 1.00 0.00 C ATOM 876 CD2 PHE A 201 -7.764 3.410 -7.340 1.00 0.00 C ATOM 877 CE1 PHE A 201 -9.458 5.540 -6.894 1.00 0.00 C ATOM 878 CE2 PHE A 201 -7.877 4.411 -8.287 1.00 0.00 C ATOM 879 CZ PHE A 201 -8.725 5.478 -8.062 1.00 0.00 C ATOM 0 H PHE A 201 -10.602 1.749 -3.314 1.00 0.00 H new ATOM 0 HA PHE A 201 -9.936 1.281 -6.121 1.00 0.00 H new ATOM 0 HB2 PHE A 201 -8.247 2.824 -4.152 1.00 0.00 H new ATOM 0 HB3 PHE A 201 -7.462 1.798 -5.337 1.00 0.00 H new ATOM 0 HD1 PHE A 201 -9.914 4.593 -5.037 1.00 0.00 H new ATOM 0 HD2 PHE A 201 -7.099 2.578 -7.520 1.00 0.00 H new ATOM 0 HE1 PHE A 201 -10.124 6.372 -6.718 1.00 0.00 H new ATOM 0 HE2 PHE A 201 -7.304 4.359 -9.201 1.00 0.00 H new ATOM 0 HZ PHE A 201 -8.814 6.263 -8.799 1.00 0.00 H new ATOM 889 N ILE A 202 -8.547 -0.759 -5.420 1.00 0.00 N ATOM 890 CA ILE A 202 -8.089 -2.084 -5.022 1.00 0.00 C ATOM 891 C ILE A 202 -6.879 -2.518 -5.843 1.00 0.00 C ATOM 892 O ILE A 202 -6.822 -2.288 -7.051 1.00 0.00 O ATOM 893 CB ILE A 202 -9.205 -3.135 -5.179 1.00 0.00 C ATOM 894 CG1 ILE A 202 -10.357 -2.834 -4.217 1.00 0.00 C ATOM 895 CG2 ILE A 202 -8.654 -4.532 -4.934 1.00 0.00 C ATOM 896 CD1 ILE A 202 -11.519 -3.793 -4.349 1.00 0.00 C ATOM 0 H ILE A 202 -8.376 -0.530 -6.399 1.00 0.00 H new ATOM 0 HA ILE A 202 -7.807 -2.018 -3.971 1.00 0.00 H new ATOM 0 HB ILE A 202 -9.587 -3.090 -6.199 1.00 0.00 H new ATOM 0 HG12 ILE A 202 -9.983 -2.867 -3.194 1.00 0.00 H new ATOM 0 HG13 ILE A 202 -10.712 -1.819 -4.394 1.00 0.00 H new ATOM 0 HG21 ILE A 202 -9.454 -5.264 -5.048 1.00 0.00 H new ATOM 0 HG22 ILE A 202 -7.864 -4.743 -5.654 1.00 0.00 H new ATOM 0 HG23 ILE A 202 -8.249 -4.592 -3.924 1.00 0.00 H new ATOM 0 HD11 ILE A 202 -12.299 -3.520 -3.638 1.00 0.00 H new ATOM 0 HD12 ILE A 202 -11.919 -3.743 -5.362 1.00 0.00 H new ATOM 0 HD13 ILE A 202 -11.179 -4.808 -4.143 1.00 0.00 H new ATOM 908 N GLU A 203 -5.915 -3.147 -5.179 1.00 0.00 N ATOM 909 CA GLU A 203 -4.707 -3.614 -5.848 1.00 0.00 C ATOM 910 C GLU A 203 -4.140 -4.847 -5.150 1.00 0.00 C ATOM 911 O GLU A 203 -4.027 -4.882 -3.925 1.00 0.00 O ATOM 912 CB GLU A 203 -3.654 -2.504 -5.881 1.00 0.00 C ATOM 913 CG GLU A 203 -3.759 -1.602 -7.100 1.00 0.00 C ATOM 914 CD GLU A 203 -3.767 -2.380 -8.402 1.00 0.00 C ATOM 915 OE1 GLU A 203 -4.862 -2.792 -8.839 1.00 0.00 O ATOM 916 OE2 GLU A 203 -2.679 -2.576 -8.983 1.00 0.00 O ATOM 0 H GLU A 203 -5.947 -3.345 -4.179 1.00 0.00 H new ATOM 0 HA GLU A 203 -4.971 -3.886 -6.870 1.00 0.00 H new ATOM 0 HB2 GLU A 203 -3.750 -1.897 -4.981 1.00 0.00 H new ATOM 0 HB3 GLU A 203 -2.662 -2.955 -5.857 1.00 0.00 H new ATOM 0 HG2 GLU A 203 -4.670 -1.008 -7.030 1.00 0.00 H new ATOM 0 HG3 GLU A 203 -2.922 -0.903 -7.104 1.00 0.00 H new ATOM 923 N ILE A 204 -3.785 -5.856 -5.939 1.00 0.00 N ATOM 924 CA ILE A 204 -3.230 -7.090 -5.398 1.00 0.00 C ATOM 925 C ILE A 204 -1.709 -7.018 -5.315 1.00 0.00 C ATOM 926 O ILE A 204 -1.048 -6.546 -6.239 1.00 0.00 O ATOM 927 CB ILE A 204 -3.630 -8.309 -6.250 1.00 0.00 C ATOM 928 CG1 ILE A 204 -5.151 -8.374 -6.404 1.00 0.00 C ATOM 929 CG2 ILE A 204 -3.100 -9.590 -5.623 1.00 0.00 C ATOM 930 CD1 ILE A 204 -5.604 -9.222 -7.572 1.00 0.00 C ATOM 0 H ILE A 204 -3.872 -5.843 -6.955 1.00 0.00 H new ATOM 0 HA ILE A 204 -3.641 -7.208 -4.395 1.00 0.00 H new ATOM 0 HB ILE A 204 -3.188 -8.203 -7.241 1.00 0.00 H new ATOM 0 HG12 ILE A 204 -5.584 -8.772 -5.487 1.00 0.00 H new ATOM 0 HG13 ILE A 204 -5.539 -7.363 -6.527 1.00 0.00 H new ATOM 0 HG21 ILE A 204 -3.391 -10.443 -6.237 1.00 0.00 H new ATOM 0 HG22 ILE A 204 -2.013 -9.542 -5.561 1.00 0.00 H new ATOM 0 HG23 ILE A 204 -3.516 -9.704 -4.622 1.00 0.00 H new ATOM 0 HD11 ILE A 204 -6.693 -9.223 -7.620 1.00 0.00 H new ATOM 0 HD12 ILE A 204 -5.200 -8.812 -8.498 1.00 0.00 H new ATOM 0 HD13 ILE A 204 -5.246 -10.243 -7.441 1.00 0.00 H new ATOM 942 N GLY A 205 -1.159 -7.493 -4.202 1.00 0.00 N ATOM 943 CA GLY A 205 0.281 -7.476 -4.020 1.00 0.00 C ATOM 944 C GLY A 205 0.837 -8.841 -3.665 1.00 0.00 C ATOM 945 O GLY A 205 0.123 -9.690 -3.132 1.00 0.00 O ATOM 0 H GLY A 205 -1.685 -7.889 -3.423 1.00 0.00 H new ATOM 0 HA2 GLY A 205 0.755 -7.121 -4.935 1.00 0.00 H new ATOM 0 HA3 GLY A 205 0.536 -6.767 -3.232 1.00 0.00 H new ATOM 949 N SER A 206 2.114 -9.053 -3.965 1.00 0.00 N ATOM 950 CA SER A 206 2.765 -10.327 -3.679 1.00 0.00 C ATOM 951 C SER A 206 4.163 -10.107 -3.110 1.00 0.00 C ATOM 952 O SER A 206 4.856 -9.162 -3.482 1.00 0.00 O ATOM 953 CB SER A 206 2.847 -11.177 -4.949 1.00 0.00 C ATOM 954 OG SER A 206 3.481 -10.467 -5.998 1.00 0.00 O ATOM 0 H SER A 206 2.719 -8.360 -4.406 1.00 0.00 H new ATOM 0 HA SER A 206 2.168 -10.854 -2.935 1.00 0.00 H new ATOM 0 HB2 SER A 206 3.398 -12.094 -4.741 1.00 0.00 H new ATOM 0 HB3 SER A 206 1.844 -11.471 -5.259 1.00 0.00 H new ATOM 0 HG SER A 206 3.522 -11.032 -6.797 1.00 0.00 H new ATOM 960 N GLY A 207 4.571 -10.990 -2.202 1.00 0.00 N ATOM 961 CA GLY A 207 5.883 -10.876 -1.595 1.00 0.00 C ATOM 962 C GLY A 207 6.293 -12.136 -0.858 1.00 0.00 C ATOM 963 O GLY A 207 5.448 -12.957 -0.498 1.00 0.00 O ATOM 0 H GLY A 207 4.016 -11.781 -1.877 1.00 0.00 H new ATOM 0 HA2 GLY A 207 6.619 -10.655 -2.368 1.00 0.00 H new ATOM 0 HA3 GLY A 207 5.887 -10.035 -0.901 1.00 0.00 H new ATOM 967 N THR A 208 7.594 -12.293 -0.633 1.00 0.00 N ATOM 968 CA THR A 208 8.114 -13.463 0.062 1.00 0.00 C ATOM 969 C THR A 208 7.650 -13.491 1.514 1.00 0.00 C ATOM 970 O THR A 208 7.787 -14.503 2.200 1.00 0.00 O ATOM 971 CB THR A 208 9.653 -13.500 0.026 1.00 0.00 C ATOM 972 OG1 THR A 208 10.188 -12.447 0.836 1.00 0.00 O ATOM 973 CG2 THR A 208 10.165 -13.359 -1.400 1.00 0.00 C ATOM 0 H THR A 208 8.307 -11.623 -0.923 1.00 0.00 H new ATOM 0 HA THR A 208 7.725 -14.338 -0.458 1.00 0.00 H new ATOM 0 HB THR A 208 9.980 -14.463 0.419 1.00 0.00 H new ATOM 0 HG1 THR A 208 11.167 -12.479 0.809 1.00 0.00 H new ATOM 0 HG21 THR A 208 11.255 -13.388 -1.400 1.00 0.00 H new ATOM 0 HG22 THR A 208 9.780 -14.178 -2.007 1.00 0.00 H new ATOM 0 HG23 THR A 208 9.827 -12.410 -1.816 1.00 0.00 H new ATOM 981 N SER A 209 7.100 -12.372 1.976 1.00 0.00 N ATOM 982 CA SER A 209 6.619 -12.268 3.349 1.00 0.00 C ATOM 983 C SER A 209 5.463 -11.276 3.445 1.00 0.00 C ATOM 984 O SER A 209 5.337 -10.370 2.622 1.00 0.00 O ATOM 985 CB SER A 209 7.755 -11.836 4.279 1.00 0.00 C ATOM 986 OG SER A 209 8.324 -10.610 3.854 1.00 0.00 O ATOM 0 H SER A 209 6.977 -11.526 1.420 1.00 0.00 H new ATOM 0 HA SER A 209 6.260 -13.250 3.658 1.00 0.00 H new ATOM 0 HB2 SER A 209 7.377 -11.732 5.296 1.00 0.00 H new ATOM 0 HB3 SER A 209 8.524 -12.608 4.302 1.00 0.00 H new ATOM 0 HG SER A 209 9.298 -10.704 3.797 1.00 0.00 H new ATOM 992 N LYS A 210 4.621 -11.455 4.457 1.00 0.00 N ATOM 993 CA LYS A 210 3.476 -10.578 4.665 1.00 0.00 C ATOM 994 C LYS A 210 3.897 -9.113 4.618 1.00 0.00 C ATOM 995 O LYS A 210 3.396 -8.337 3.803 1.00 0.00 O ATOM 996 CB LYS A 210 2.809 -10.884 6.007 1.00 0.00 C ATOM 997 CG LYS A 210 2.171 -12.262 6.069 1.00 0.00 C ATOM 998 CD LYS A 210 1.240 -12.392 7.263 1.00 0.00 C ATOM 999 CE LYS A 210 0.708 -13.810 7.403 1.00 0.00 C ATOM 1000 NZ LYS A 210 1.784 -14.773 7.766 1.00 0.00 N ATOM 0 H LYS A 210 4.711 -12.201 5.147 1.00 0.00 H new ATOM 0 HA LYS A 210 2.762 -10.759 3.862 1.00 0.00 H new ATOM 0 HB2 LYS A 210 3.552 -10.801 6.800 1.00 0.00 H new ATOM 0 HB3 LYS A 210 2.047 -10.131 6.204 1.00 0.00 H new ATOM 0 HG2 LYS A 210 1.614 -12.448 5.150 1.00 0.00 H new ATOM 0 HG3 LYS A 210 2.950 -13.022 6.129 1.00 0.00 H new ATOM 0 HD2 LYS A 210 1.771 -12.110 8.172 1.00 0.00 H new ATOM 0 HD3 LYS A 210 0.406 -11.699 7.153 1.00 0.00 H new ATOM 0 HE2 LYS A 210 -0.071 -13.832 8.165 1.00 0.00 H new ATOM 0 HE3 LYS A 210 0.246 -14.119 6.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 1.919 -15.451 6.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 2.671 -14.256 7.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 1.515 -15.285 8.630 1.00 0.00 H new ATOM 1014 N LYS A 211 4.823 -8.740 5.495 1.00 0.00 N ATOM 1015 CA LYS A 211 5.315 -7.368 5.552 1.00 0.00 C ATOM 1016 C LYS A 211 5.555 -6.817 4.150 1.00 0.00 C ATOM 1017 O LYS A 211 5.181 -5.684 3.844 1.00 0.00 O ATOM 1018 CB LYS A 211 6.609 -7.302 6.366 1.00 0.00 C ATOM 1019 CG LYS A 211 7.270 -5.935 6.348 1.00 0.00 C ATOM 1020 CD LYS A 211 6.682 -5.018 7.407 1.00 0.00 C ATOM 1021 CE LYS A 211 7.561 -3.798 7.639 1.00 0.00 C ATOM 1022 NZ LYS A 211 8.765 -4.129 8.450 1.00 0.00 N ATOM 0 H LYS A 211 5.248 -9.369 6.176 1.00 0.00 H new ATOM 0 HA LYS A 211 4.555 -6.756 6.038 1.00 0.00 H new ATOM 0 HB2 LYS A 211 6.394 -7.578 7.398 1.00 0.00 H new ATOM 0 HB3 LYS A 211 7.310 -8.041 5.978 1.00 0.00 H new ATOM 0 HG2 LYS A 211 8.341 -6.046 6.515 1.00 0.00 H new ATOM 0 HG3 LYS A 211 7.146 -5.483 5.364 1.00 0.00 H new ATOM 0 HD2 LYS A 211 5.687 -4.697 7.100 1.00 0.00 H new ATOM 0 HD3 LYS A 211 6.566 -5.567 8.341 1.00 0.00 H new ATOM 0 HE2 LYS A 211 7.872 -3.386 6.679 1.00 0.00 H new ATOM 0 HE3 LYS A 211 6.983 -3.025 8.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 211 9.275 -3.254 8.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 211 8.473 -4.607 9.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 211 9.389 -4.757 7.904 1.00 0.00 H new ATOM 1036 N LEU A 212 6.180 -7.625 3.301 1.00 0.00 N ATOM 1037 CA LEU A 212 6.468 -7.219 1.929 1.00 0.00 C ATOM 1038 C LEU A 212 5.182 -7.075 1.122 1.00 0.00 C ATOM 1039 O LEU A 212 4.827 -5.978 0.693 1.00 0.00 O ATOM 1040 CB LEU A 212 7.393 -8.237 1.259 1.00 0.00 C ATOM 1041 CG LEU A 212 8.862 -8.187 1.680 1.00 0.00 C ATOM 1042 CD1 LEU A 212 9.583 -9.456 1.252 1.00 0.00 C ATOM 1043 CD2 LEU A 212 9.545 -6.961 1.092 1.00 0.00 C ATOM 0 H LEU A 212 6.497 -8.565 3.538 1.00 0.00 H new ATOM 0 HA LEU A 212 6.966 -6.250 1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 212 7.010 -9.237 1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 212 7.340 -8.092 0.180 1.00 0.00 H new ATOM 0 HG LEU A 212 8.906 -8.116 2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 212 10.627 -9.403 1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 212 9.110 -10.319 1.721 1.00 0.00 H new ATOM 0 HD13 LEU A 212 9.529 -9.557 0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 212 10.590 -6.942 1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 212 9.490 -7.001 0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 212 9.045 -6.060 1.448 1.00 0.00 H new ATOM 1055 N ALA A 213 4.488 -8.190 0.921 1.00 0.00 N ATOM 1056 CA ALA A 213 3.239 -8.187 0.169 1.00 0.00 C ATOM 1057 C ALA A 213 2.443 -6.913 0.432 1.00 0.00 C ATOM 1058 O ALA A 213 1.717 -6.431 -0.438 1.00 0.00 O ATOM 1059 CB ALA A 213 2.408 -9.412 0.521 1.00 0.00 C ATOM 0 H ALA A 213 4.769 -9.107 1.268 1.00 0.00 H new ATOM 0 HA ALA A 213 3.483 -8.220 -0.893 1.00 0.00 H new ATOM 0 HB1 ALA A 213 1.478 -9.397 -0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 213 2.968 -10.314 0.276 1.00 0.00 H new ATOM 0 HB3 ALA A 213 2.181 -9.404 1.587 1.00 0.00 H new ATOM 1065 N LYS A 214 2.584 -6.370 1.636 1.00 0.00 N ATOM 1066 CA LYS A 214 1.880 -5.151 2.014 1.00 0.00 C ATOM 1067 C LYS A 214 2.392 -3.957 1.216 1.00 0.00 C ATOM 1068 O LYS A 214 1.613 -3.230 0.600 1.00 0.00 O ATOM 1069 CB LYS A 214 2.044 -4.886 3.512 1.00 0.00 C ATOM 1070 CG LYS A 214 1.347 -3.623 3.987 1.00 0.00 C ATOM 1071 CD LYS A 214 1.630 -3.346 5.454 1.00 0.00 C ATOM 1072 CE LYS A 214 1.166 -1.956 5.859 1.00 0.00 C ATOM 1073 NZ LYS A 214 1.783 -1.517 7.141 1.00 0.00 N ATOM 0 H LYS A 214 3.181 -6.756 2.368 1.00 0.00 H new ATOM 0 HA LYS A 214 0.822 -5.288 1.790 1.00 0.00 H new ATOM 0 HB2 LYS A 214 1.652 -5.738 4.068 1.00 0.00 H new ATOM 0 HB3 LYS A 214 3.106 -4.814 3.745 1.00 0.00 H new ATOM 0 HG2 LYS A 214 1.678 -2.776 3.386 1.00 0.00 H new ATOM 0 HG3 LYS A 214 0.272 -3.721 3.835 1.00 0.00 H new ATOM 0 HD2 LYS A 214 1.127 -4.092 6.070 1.00 0.00 H new ATOM 0 HD3 LYS A 214 2.699 -3.444 5.644 1.00 0.00 H new ATOM 0 HE2 LYS A 214 1.419 -1.245 5.072 1.00 0.00 H new ATOM 0 HE3 LYS A 214 0.080 -1.950 5.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 214 1.441 -0.565 7.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 214 1.521 -2.181 7.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 214 2.818 -1.498 7.040 1.00 0.00 H new ATOM 1087 N ARG A 215 3.707 -3.761 1.231 1.00 0.00 N ATOM 1088 CA ARG A 215 4.323 -2.655 0.508 1.00 0.00 C ATOM 1089 C ARG A 215 4.136 -2.818 -0.998 1.00 0.00 C ATOM 1090 O ARG A 215 3.895 -1.846 -1.712 1.00 0.00 O ATOM 1091 CB ARG A 215 5.813 -2.567 0.841 1.00 0.00 C ATOM 1092 CG ARG A 215 6.692 -3.404 -0.074 1.00 0.00 C ATOM 1093 CD ARG A 215 8.109 -3.518 0.466 1.00 0.00 C ATOM 1094 NE ARG A 215 8.831 -2.251 0.382 1.00 0.00 N ATOM 1095 CZ ARG A 215 9.337 -1.768 -0.747 1.00 0.00 C ATOM 1096 NH1 ARG A 215 9.201 -2.442 -1.881 1.00 0.00 N ATOM 1097 NH2 ARG A 215 9.981 -0.608 -0.744 1.00 0.00 N ATOM 0 H ARG A 215 4.366 -4.354 1.736 1.00 0.00 H new ATOM 0 HA ARG A 215 3.833 -1.733 0.820 1.00 0.00 H new ATOM 0 HB2 ARG A 215 6.129 -1.526 0.781 1.00 0.00 H new ATOM 0 HB3 ARG A 215 5.966 -2.888 1.871 1.00 0.00 H new ATOM 0 HG2 ARG A 215 6.262 -4.400 -0.183 1.00 0.00 H new ATOM 0 HG3 ARG A 215 6.715 -2.956 -1.068 1.00 0.00 H new ATOM 0 HD2 ARG A 215 8.076 -3.848 1.504 1.00 0.00 H new ATOM 0 HD3 ARG A 215 8.650 -4.281 -0.094 1.00 0.00 H new ATOM 0 HE ARG A 215 8.953 -1.708 1.237 1.00 0.00 H new ATOM 0 HH11 ARG A 215 8.707 -3.334 -1.888 1.00 0.00 H new ATOM 0 HH12 ARG A 215 9.591 -2.068 -2.746 1.00 0.00 H new ATOM 0 HH21 ARG A 215 10.088 -0.086 0.126 1.00 0.00 H new ATOM 0 HH22 ARG A 215 10.369 -0.238 -1.612 1.00 0.00 H new ATOM 1111 N ASN A 216 4.250 -4.055 -1.472 1.00 0.00 N ATOM 1112 CA ASN A 216 4.095 -4.345 -2.893 1.00 0.00 C ATOM 1113 C ASN A 216 2.730 -3.886 -3.396 1.00 0.00 C ATOM 1114 O ASN A 216 2.631 -3.190 -4.406 1.00 0.00 O ATOM 1115 CB ASN A 216 4.269 -5.843 -3.150 1.00 0.00 C ATOM 1116 CG ASN A 216 5.712 -6.289 -3.019 1.00 0.00 C ATOM 1117 OD1 ASN A 216 6.354 -6.059 -1.994 1.00 0.00 O ATOM 1118 ND2 ASN A 216 6.230 -6.931 -4.060 1.00 0.00 N ATOM 0 H ASN A 216 4.449 -4.871 -0.894 1.00 0.00 H new ATOM 0 HA ASN A 216 4.865 -3.798 -3.437 1.00 0.00 H new ATOM 0 HB2 ASN A 216 3.653 -6.403 -2.446 1.00 0.00 H new ATOM 0 HB3 ASN A 216 3.907 -6.082 -4.150 1.00 0.00 H new ATOM 0 HD21 ASN A 216 7.197 -7.255 -4.030 1.00 0.00 H new ATOM 0 HD22 ASN A 216 5.661 -7.100 -4.890 1.00 0.00 H new ATOM 1125 N ALA A 217 1.680 -4.281 -2.684 1.00 0.00 N ATOM 1126 CA ALA A 217 0.320 -3.908 -3.056 1.00 0.00 C ATOM 1127 C ALA A 217 0.130 -2.396 -2.996 1.00 0.00 C ATOM 1128 O ALA A 217 -0.376 -1.787 -3.938 1.00 0.00 O ATOM 1129 CB ALA A 217 -0.685 -4.605 -2.151 1.00 0.00 C ATOM 0 H ALA A 217 1.745 -4.859 -1.846 1.00 0.00 H new ATOM 0 HA ALA A 217 0.150 -4.229 -4.084 1.00 0.00 H new ATOM 0 HB1 ALA A 217 -1.696 -4.317 -2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 217 -0.574 -5.685 -2.247 1.00 0.00 H new ATOM 0 HB3 ALA A 217 -0.507 -4.313 -1.116 1.00 0.00 H new ATOM 1135 N ALA A 218 0.537 -1.797 -1.882 1.00 0.00 N ATOM 1136 CA ALA A 218 0.412 -0.356 -1.700 1.00 0.00 C ATOM 1137 C ALA A 218 1.097 0.402 -2.832 1.00 0.00 C ATOM 1138 O ALA A 218 0.503 1.286 -3.449 1.00 0.00 O ATOM 1139 CB ALA A 218 0.994 0.059 -0.357 1.00 0.00 C ATOM 0 H ALA A 218 0.956 -2.287 -1.092 1.00 0.00 H new ATOM 0 HA ALA A 218 -0.648 -0.103 -1.718 1.00 0.00 H new ATOM 0 HB1 ALA A 218 0.894 1.137 -0.235 1.00 0.00 H new ATOM 0 HB2 ALA A 218 0.457 -0.449 0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 218 2.048 -0.214 -0.317 1.00 0.00 H new ATOM 1145 N ALA A 219 2.351 0.050 -3.100 1.00 0.00 N ATOM 1146 CA ALA A 219 3.116 0.696 -4.159 1.00 0.00 C ATOM 1147 C ALA A 219 2.289 0.823 -5.434 1.00 0.00 C ATOM 1148 O ALA A 219 2.018 1.929 -5.903 1.00 0.00 O ATOM 1149 CB ALA A 219 4.396 -0.078 -4.433 1.00 0.00 C ATOM 0 H ALA A 219 2.858 -0.679 -2.598 1.00 0.00 H new ATOM 0 HA ALA A 219 3.377 1.700 -3.824 1.00 0.00 H new ATOM 0 HB1 ALA A 219 4.957 0.416 -5.226 1.00 0.00 H new ATOM 0 HB2 ALA A 219 5.001 -0.112 -3.527 1.00 0.00 H new ATOM 0 HB3 ALA A 219 4.148 -1.093 -4.742 1.00 0.00 H new ATOM 1155 N LYS A 220 1.892 -0.315 -5.992 1.00 0.00 N ATOM 1156 CA LYS A 220 1.096 -0.332 -7.213 1.00 0.00 C ATOM 1157 C LYS A 220 -0.129 0.567 -7.077 1.00 0.00 C ATOM 1158 O LYS A 220 -0.502 1.269 -8.016 1.00 0.00 O ATOM 1159 CB LYS A 220 0.658 -1.762 -7.541 1.00 0.00 C ATOM 1160 CG LYS A 220 1.816 -2.699 -7.838 1.00 0.00 C ATOM 1161 CD LYS A 220 1.328 -4.038 -8.365 1.00 0.00 C ATOM 1162 CE LYS A 220 2.474 -5.026 -8.522 1.00 0.00 C ATOM 1163 NZ LYS A 220 3.342 -4.689 -9.685 1.00 0.00 N ATOM 0 H LYS A 220 2.109 -1.239 -5.618 1.00 0.00 H new ATOM 0 HA LYS A 220 1.715 0.048 -8.026 1.00 0.00 H new ATOM 0 HB2 LYS A 220 0.086 -2.159 -6.703 1.00 0.00 H new ATOM 0 HB3 LYS A 220 -0.011 -1.740 -8.401 1.00 0.00 H new ATOM 0 HG2 LYS A 220 2.479 -2.239 -8.570 1.00 0.00 H new ATOM 0 HG3 LYS A 220 2.401 -2.855 -6.932 1.00 0.00 H new ATOM 0 HD2 LYS A 220 0.583 -4.449 -7.684 1.00 0.00 H new ATOM 0 HD3 LYS A 220 0.836 -3.894 -9.327 1.00 0.00 H new ATOM 0 HE2 LYS A 220 3.074 -5.034 -7.612 1.00 0.00 H new ATOM 0 HE3 LYS A 220 2.072 -6.031 -8.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 220 4.111 -5.386 -9.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 220 2.776 -4.706 -10.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 220 3.746 -3.740 -9.553 1.00 0.00 H new ATOM 1177 N MET A 221 -0.749 0.540 -5.902 1.00 0.00 N ATOM 1178 CA MET A 221 -1.931 1.355 -5.643 1.00 0.00 C ATOM 1179 C MET A 221 -1.648 2.827 -5.925 1.00 0.00 C ATOM 1180 O MET A 221 -2.476 3.528 -6.508 1.00 0.00 O ATOM 1181 CB MET A 221 -2.389 1.181 -4.194 1.00 0.00 C ATOM 1182 CG MET A 221 -3.793 1.702 -3.934 1.00 0.00 C ATOM 1183 SD MET A 221 -5.032 0.911 -4.977 1.00 0.00 S ATOM 1184 CE MET A 221 -5.879 -0.115 -3.778 1.00 0.00 C ATOM 0 H MET A 221 -0.453 -0.037 -5.114 1.00 0.00 H new ATOM 0 HA MET A 221 -2.725 1.021 -6.310 1.00 0.00 H new ATOM 0 HB2 MET A 221 -2.349 0.123 -3.933 1.00 0.00 H new ATOM 0 HB3 MET A 221 -1.691 1.698 -3.536 1.00 0.00 H new ATOM 0 HG2 MET A 221 -4.048 1.540 -2.887 1.00 0.00 H new ATOM 0 HG3 MET A 221 -3.814 2.778 -4.104 1.00 0.00 H new ATOM 0 HE1 MET A 221 -5.843 -1.156 -4.100 1.00 0.00 H new ATOM 0 HE2 MET A 221 -5.392 -0.018 -2.808 1.00 0.00 H new ATOM 0 HE3 MET A 221 -6.918 0.204 -3.696 1.00 0.00 H new ATOM 1194 N LEU A 222 -0.474 3.290 -5.509 1.00 0.00 N ATOM 1195 CA LEU A 222 -0.082 4.680 -5.717 1.00 0.00 C ATOM 1196 C LEU A 222 -0.424 5.136 -7.132 1.00 0.00 C ATOM 1197 O LEU A 222 -1.222 6.054 -7.324 1.00 0.00 O ATOM 1198 CB LEU A 222 1.416 4.851 -5.461 1.00 0.00 C ATOM 1199 CG LEU A 222 1.922 4.385 -4.096 1.00 0.00 C ATOM 1200 CD1 LEU A 222 3.429 4.184 -4.125 1.00 0.00 C ATOM 1201 CD2 LEU A 222 1.536 5.383 -3.015 1.00 0.00 C ATOM 0 H LEU A 222 0.223 2.723 -5.026 1.00 0.00 H new ATOM 0 HA LEU A 222 -0.637 5.299 -5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 222 1.960 4.307 -6.233 1.00 0.00 H new ATOM 0 HB3 LEU A 222 1.666 5.905 -5.578 1.00 0.00 H new ATOM 0 HG LEU A 222 1.453 3.429 -3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 222 3.771 3.852 -3.145 1.00 0.00 H new ATOM 0 HD12 LEU A 222 3.681 3.431 -4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 222 3.917 5.125 -4.380 1.00 0.00 H new ATOM 0 HD21 LEU A 222 1.904 5.035 -2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 222 1.976 6.354 -3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 222 0.451 5.476 -2.977 1.00 0.00 H new ATOM 1213 N LEU A 223 0.184 4.487 -8.120 1.00 0.00 N ATOM 1214 CA LEU A 223 -0.058 4.824 -9.518 1.00 0.00 C ATOM 1215 C LEU A 223 -1.531 4.653 -9.873 1.00 0.00 C ATOM 1216 O LEU A 223 -2.114 5.487 -10.567 1.00 0.00 O ATOM 1217 CB LEU A 223 0.803 3.949 -10.430 1.00 0.00 C ATOM 1218 CG LEU A 223 2.304 3.948 -10.138 1.00 0.00 C ATOM 1219 CD1 LEU A 223 2.993 2.818 -10.887 1.00 0.00 C ATOM 1220 CD2 LEU A 223 2.920 5.289 -10.508 1.00 0.00 C ATOM 0 H LEU A 223 0.847 3.725 -7.978 1.00 0.00 H new ATOM 0 HA LEU A 223 0.213 5.869 -9.666 1.00 0.00 H new ATOM 0 HB2 LEU A 223 0.440 2.923 -10.365 1.00 0.00 H new ATOM 0 HB3 LEU A 223 0.654 4.275 -11.459 1.00 0.00 H new ATOM 0 HG LEU A 223 2.447 3.788 -9.069 1.00 0.00 H new ATOM 0 HD11 LEU A 223 4.060 2.833 -10.667 1.00 0.00 H new ATOM 0 HD12 LEU A 223 2.571 1.863 -10.573 1.00 0.00 H new ATOM 0 HD13 LEU A 223 2.842 2.947 -11.959 1.00 0.00 H new ATOM 0 HD21 LEU A 223 3.989 5.270 -10.293 1.00 0.00 H new ATOM 0 HD22 LEU A 223 2.766 5.479 -11.570 1.00 0.00 H new ATOM 0 HD23 LEU A 223 2.447 6.080 -9.926 1.00 0.00 H new ATOM 1232 N ARG A 224 -2.129 3.568 -9.391 1.00 0.00 N ATOM 1233 CA ARG A 224 -3.535 3.288 -9.656 1.00 0.00 C ATOM 1234 C ARG A 224 -4.404 4.493 -9.307 1.00 0.00 C ATOM 1235 O ARG A 224 -5.152 4.996 -10.145 1.00 0.00 O ATOM 1236 CB ARG A 224 -3.993 2.066 -8.859 1.00 0.00 C ATOM 1237 CG ARG A 224 -3.462 0.750 -9.403 1.00 0.00 C ATOM 1238 CD ARG A 224 -3.623 0.666 -10.913 1.00 0.00 C ATOM 1239 NE ARG A 224 -3.727 -0.715 -11.377 1.00 0.00 N ATOM 1240 CZ ARG A 224 -4.125 -1.052 -12.598 1.00 0.00 C ATOM 1241 NH1 ARG A 224 -4.455 -0.113 -13.474 1.00 0.00 N ATOM 1242 NH2 ARG A 224 -4.194 -2.331 -12.946 1.00 0.00 N ATOM 0 H ARG A 224 -1.661 2.868 -8.815 1.00 0.00 H new ATOM 0 HA ARG A 224 -3.644 3.080 -10.720 1.00 0.00 H new ATOM 0 HB2 ARG A 224 -3.672 2.177 -7.823 1.00 0.00 H new ATOM 0 HB3 ARG A 224 -5.083 2.034 -8.853 1.00 0.00 H new ATOM 0 HG2 ARG A 224 -2.409 0.646 -9.142 1.00 0.00 H new ATOM 0 HG3 ARG A 224 -3.991 -0.079 -8.933 1.00 0.00 H new ATOM 0 HD2 ARG A 224 -4.514 1.217 -11.214 1.00 0.00 H new ATOM 0 HD3 ARG A 224 -2.772 1.147 -11.395 1.00 0.00 H new ATOM 0 HE ARG A 224 -3.480 -1.462 -10.727 1.00 0.00 H new ATOM 0 HH11 ARG A 224 -4.403 0.871 -13.211 1.00 0.00 H new ATOM 0 HH12 ARG A 224 -4.760 -0.375 -14.411 1.00 0.00 H new ATOM 0 HH21 ARG A 224 -3.941 -3.056 -12.275 1.00 0.00 H new ATOM 0 HH22 ARG A 224 -4.500 -2.588 -13.884 1.00 0.00 H new ATOM 1256 N VAL A 225 -4.301 4.949 -8.062 1.00 0.00 N ATOM 1257 CA VAL A 225 -5.077 6.094 -7.601 1.00 0.00 C ATOM 1258 C VAL A 225 -4.597 7.383 -8.257 1.00 0.00 C ATOM 1259 O VAL A 225 -5.394 8.269 -8.567 1.00 0.00 O ATOM 1260 CB VAL A 225 -4.996 6.248 -6.071 1.00 0.00 C ATOM 1261 CG1 VAL A 225 -5.466 4.977 -5.380 1.00 0.00 C ATOM 1262 CG2 VAL A 225 -3.579 6.602 -5.647 1.00 0.00 C ATOM 0 H VAL A 225 -3.688 4.543 -7.355 1.00 0.00 H new ATOM 0 HA VAL A 225 -6.113 5.909 -7.885 1.00 0.00 H new ATOM 0 HB VAL A 225 -5.656 7.061 -5.769 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -5.401 5.105 -4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -6.499 4.771 -5.660 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -4.835 4.142 -5.685 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -3.539 6.707 -4.563 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -2.897 5.811 -5.960 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -3.284 7.542 -6.114 1.00 0.00 H new