USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 594 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 98 HIS : no HD1:sc= 0 X(o=1.1,f=1.1) USER MOD Set 1.2: A 144 SER OG : rot 13:sc= 1.1 USER MOD Single : A 96 HIS : no HD1:sc= -0.424 X(o=-0.42,f=-0.1) USER MOD Single : A 105 SER OG : rot 179:sc= 1.31 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.0946 USER MOD Single : A 110 THR OG1 : rot 180:sc= -1.64! USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot -37:sc= 0.15 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= -1.29 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 SER OG : rot 41:sc= 0.327 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 TYR OH : rot 130:sc= -0.23 USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 ASN : amide:sc= -0.0247 X(o=-0.025,f=0.042) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.031) USER MOD Single : A 157 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 158 MET CE :methyl -114:sc= -3.3! (180deg=-5.92!) USER MOD Single : A 161 GLN : amide:sc= -0.658 X(o=-0.66,f=-0.36) USER MOD Single : A 167 GLN : amide:sc= -0.548 X(o=-0.55,f=-0.78) USER MOD Single : A 170 THR OG1 : rot 114:sc= 0.95 USER MOD Single : A 171 ASN : amide:sc= -5.22! C(o=-5.2!,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 178 N HIS A 96 -3.732 18.388 0.215 1.00 0.00 N ATOM 179 CA HIS A 96 -2.738 17.372 -0.112 1.00 0.00 C ATOM 180 C HIS A 96 -3.114 16.636 -1.395 1.00 0.00 C ATOM 181 O HIS A 96 -4.280 16.609 -1.787 1.00 0.00 O ATOM 182 CB HIS A 96 -2.599 16.375 1.039 1.00 0.00 C ATOM 183 CG HIS A 96 -2.367 17.024 2.369 1.00 0.00 C ATOM 184 ND1 HIS A 96 -2.412 16.333 3.562 1.00 0.00 N ATOM 185 CD2 HIS A 96 -2.084 18.308 2.690 1.00 0.00 C ATOM 186 CE1 HIS A 96 -2.169 17.165 4.559 1.00 0.00 C ATOM 187 NE2 HIS A 96 -1.966 18.369 4.057 1.00 0.00 N ATOM 0 HA HIS A 96 -1.782 17.872 -0.268 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -3.502 15.767 1.093 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -1.772 15.698 0.825 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -1.972 19.131 2.000 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -2.141 16.904 5.607 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -1.756 19.208 4.597 1.00 0.00 H new ATOM 196 N PHE A 97 -2.118 16.042 -2.044 1.00 0.00 N ATOM 197 CA PHE A 97 -2.344 15.308 -3.284 1.00 0.00 C ATOM 198 C PHE A 97 -2.326 13.803 -3.035 1.00 0.00 C ATOM 199 O PHE A 97 -1.476 13.293 -2.305 1.00 0.00 O ATOM 200 CB PHE A 97 -1.282 15.678 -4.321 1.00 0.00 C ATOM 201 CG PHE A 97 -1.390 17.093 -4.811 1.00 0.00 C ATOM 202 CD1 PHE A 97 -2.184 17.403 -5.904 1.00 0.00 C ATOM 203 CD2 PHE A 97 -0.697 18.114 -4.180 1.00 0.00 C ATOM 204 CE1 PHE A 97 -2.286 18.705 -6.357 1.00 0.00 C ATOM 205 CE2 PHE A 97 -0.795 19.417 -4.629 1.00 0.00 C ATOM 206 CZ PHE A 97 -1.590 19.713 -5.720 1.00 0.00 C ATOM 0 H PHE A 97 -1.147 16.054 -1.732 1.00 0.00 H new ATOM 0 HA PHE A 97 -3.327 15.584 -3.667 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.294 15.527 -3.887 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.364 15.000 -5.171 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.729 16.618 -6.407 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -0.073 17.889 -3.328 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.910 18.934 -7.209 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.251 20.204 -4.128 1.00 0.00 H new ATOM 0 HZ PHE A 97 -1.667 20.731 -6.074 1.00 0.00 H new ATOM 216 N HIS A 98 -3.272 13.097 -3.648 1.00 0.00 N ATOM 217 CA HIS A 98 -3.365 11.649 -3.494 1.00 0.00 C ATOM 218 C HIS A 98 -2.666 10.934 -4.645 1.00 0.00 C ATOM 219 O HIS A 98 -2.942 11.201 -5.815 1.00 0.00 O ATOM 220 CB HIS A 98 -4.830 11.217 -3.424 1.00 0.00 C ATOM 221 CG HIS A 98 -5.571 11.795 -2.257 1.00 0.00 C ATOM 222 ND1 HIS A 98 -5.078 11.778 -0.970 1.00 0.00 N ATOM 223 CD2 HIS A 98 -6.774 12.411 -2.190 1.00 0.00 C ATOM 224 CE1 HIS A 98 -5.947 12.356 -0.160 1.00 0.00 C ATOM 225 NE2 HIS A 98 -6.985 12.750 -0.876 1.00 0.00 N ATOM 0 H HIS A 98 -3.984 13.504 -4.255 1.00 0.00 H new ATOM 0 HA HIS A 98 -2.867 11.374 -2.564 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.332 11.513 -4.345 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -4.877 10.129 -3.371 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -7.443 12.601 -3.016 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -5.829 12.485 0.906 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -7.809 13.228 -0.512 1.00 0.00 H new ATOM 234 N VAL A 99 -1.757 10.025 -4.306 1.00 0.00 N ATOM 235 CA VAL A 99 -1.018 9.271 -5.312 1.00 0.00 C ATOM 236 C VAL A 99 -1.317 7.779 -5.210 1.00 0.00 C ATOM 237 O VAL A 99 -1.281 7.200 -4.124 1.00 0.00 O ATOM 238 CB VAL A 99 0.500 9.489 -5.173 1.00 0.00 C ATOM 239 CG1 VAL A 99 1.242 8.832 -6.327 1.00 0.00 C ATOM 240 CG2 VAL A 99 0.820 10.974 -5.100 1.00 0.00 C ATOM 0 H VAL A 99 -1.515 9.793 -3.343 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.343 9.638 -6.285 1.00 0.00 H new ATOM 0 HB VAL A 99 0.833 9.023 -4.246 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.313 8.997 -6.212 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.038 7.761 -6.329 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.908 9.267 -7.269 1.00 0.00 H new ATOM 0 HG21 VAL A 99 1.897 11.110 -5.002 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.474 11.466 -6.009 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.319 11.412 -4.237 1.00 0.00 H new ATOM 250 N PHE A 100 -1.613 7.162 -6.349 1.00 0.00 N ATOM 251 CA PHE A 100 -1.919 5.736 -6.389 1.00 0.00 C ATOM 252 C PHE A 100 -0.690 4.927 -6.791 1.00 0.00 C ATOM 253 O PHE A 100 0.062 5.320 -7.683 1.00 0.00 O ATOM 254 CB PHE A 100 -3.064 5.467 -7.368 1.00 0.00 C ATOM 255 CG PHE A 100 -3.274 4.008 -7.657 1.00 0.00 C ATOM 256 CD1 PHE A 100 -2.340 3.291 -8.389 1.00 0.00 C ATOM 257 CD2 PHE A 100 -4.405 3.353 -7.198 1.00 0.00 C ATOM 258 CE1 PHE A 100 -2.530 1.949 -8.656 1.00 0.00 C ATOM 259 CE2 PHE A 100 -4.600 2.010 -7.462 1.00 0.00 C ATOM 260 CZ PHE A 100 -3.662 1.308 -8.193 1.00 0.00 C ATOM 0 H PHE A 100 -1.648 7.626 -7.256 1.00 0.00 H new ATOM 0 HA PHE A 100 -2.224 5.426 -5.389 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -3.985 5.885 -6.962 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.862 5.989 -8.303 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.453 3.788 -8.755 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.143 3.898 -6.627 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.794 1.402 -9.226 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.485 1.510 -7.097 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.814 0.259 -8.402 1.00 0.00 H new ATOM 270 N VAL A 101 -0.491 3.794 -6.125 1.00 0.00 N ATOM 271 CA VAL A 101 0.646 2.928 -6.412 1.00 0.00 C ATOM 272 C VAL A 101 0.190 1.508 -6.728 1.00 0.00 C ATOM 273 O VAL A 101 -0.369 0.820 -5.874 1.00 0.00 O ATOM 274 CB VAL A 101 1.633 2.887 -5.230 1.00 0.00 C ATOM 275 CG1 VAL A 101 2.783 1.937 -5.527 1.00 0.00 C ATOM 276 CG2 VAL A 101 2.150 4.284 -4.920 1.00 0.00 C ATOM 0 H VAL A 101 -1.103 3.455 -5.383 1.00 0.00 H new ATOM 0 HA VAL A 101 1.150 3.347 -7.283 1.00 0.00 H new ATOM 0 HB VAL A 101 1.106 2.516 -4.351 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.470 1.921 -4.681 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.392 0.934 -5.696 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.313 2.274 -6.418 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.846 4.237 -4.082 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.662 4.685 -5.795 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.313 4.932 -4.660 1.00 0.00 H new ATOM 286 N GLY A 102 0.432 1.074 -7.961 1.00 0.00 N ATOM 287 CA GLY A 102 0.039 -0.262 -8.368 1.00 0.00 C ATOM 288 C GLY A 102 1.198 -1.240 -8.342 1.00 0.00 C ATOM 289 O GLY A 102 2.316 -0.877 -7.977 1.00 0.00 O ATOM 0 H GLY A 102 0.893 1.624 -8.685 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.751 -0.622 -7.709 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.378 -0.224 -9.374 1.00 0.00 H new ATOM 293 N ASP A 103 0.929 -2.483 -8.727 1.00 0.00 N ATOM 294 CA ASP A 103 1.958 -3.516 -8.745 1.00 0.00 C ATOM 295 C ASP A 103 2.777 -3.491 -7.458 1.00 0.00 C ATOM 296 O ASP A 103 4.008 -3.531 -7.492 1.00 0.00 O ATOM 297 CB ASP A 103 2.877 -3.330 -9.953 1.00 0.00 C ATOM 298 CG ASP A 103 2.256 -3.843 -11.237 1.00 0.00 C ATOM 299 OD1 ASP A 103 1.033 -3.664 -11.418 1.00 0.00 O ATOM 300 OD2 ASP A 103 2.993 -4.422 -12.062 1.00 0.00 O ATOM 0 H ASP A 103 0.008 -2.799 -9.030 1.00 0.00 H new ATOM 0 HA ASP A 103 1.464 -4.484 -8.820 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.115 -2.272 -10.065 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.817 -3.851 -9.774 1.00 0.00 H new ATOM 305 N LEU A 104 2.087 -3.422 -6.325 1.00 0.00 N ATOM 306 CA LEU A 104 2.750 -3.390 -5.026 1.00 0.00 C ATOM 307 C LEU A 104 3.197 -4.787 -4.608 1.00 0.00 C ATOM 308 O LEU A 104 2.396 -5.588 -4.127 1.00 0.00 O ATOM 309 CB LEU A 104 1.814 -2.804 -3.968 1.00 0.00 C ATOM 310 CG LEU A 104 1.679 -1.281 -3.961 1.00 0.00 C ATOM 311 CD1 LEU A 104 0.648 -0.841 -2.933 1.00 0.00 C ATOM 312 CD2 LEU A 104 3.025 -0.627 -3.682 1.00 0.00 C ATOM 0 H LEU A 104 1.069 -3.387 -6.279 1.00 0.00 H new ATOM 0 HA LEU A 104 3.633 -2.757 -5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.823 -3.236 -4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.164 -3.122 -2.986 1.00 0.00 H new ATOM 0 HG LEU A 104 1.339 -0.961 -4.946 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.566 0.246 -2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.319 -1.280 -3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.958 -1.173 -1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.910 0.457 -3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.394 -0.954 -2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.737 -0.915 -4.455 1.00 0.00 H new ATOM 324 N SER A 105 4.483 -5.072 -4.794 1.00 0.00 N ATOM 325 CA SER A 105 5.037 -6.373 -4.437 1.00 0.00 C ATOM 326 C SER A 105 4.465 -6.862 -3.110 1.00 0.00 C ATOM 327 O SER A 105 4.028 -6.078 -2.267 1.00 0.00 O ATOM 328 CB SER A 105 6.562 -6.295 -4.351 1.00 0.00 C ATOM 329 OG SER A 105 7.073 -5.309 -5.231 1.00 0.00 O ATOM 0 H SER A 105 5.160 -4.420 -5.190 1.00 0.00 H new ATOM 0 HA SER A 105 4.760 -7.084 -5.215 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.860 -6.064 -3.328 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.993 -7.265 -4.597 1.00 0.00 H new ATOM 0 HG SER A 105 8.048 -5.266 -5.143 1.00 0.00 H new ATOM 335 N PRO A 106 4.467 -8.189 -2.919 1.00 0.00 N ATOM 336 CA PRO A 106 3.952 -8.814 -1.697 1.00 0.00 C ATOM 337 C PRO A 106 4.841 -8.540 -0.488 1.00 0.00 C ATOM 338 O PRO A 106 4.407 -8.677 0.655 1.00 0.00 O ATOM 339 CB PRO A 106 3.953 -10.307 -2.034 1.00 0.00 C ATOM 340 CG PRO A 106 4.999 -10.457 -3.085 1.00 0.00 C ATOM 341 CD PRO A 106 4.971 -9.183 -3.882 1.00 0.00 C ATOM 0 HA PRO A 106 2.971 -8.426 -1.423 1.00 0.00 H new ATOM 0 HB2 PRO A 106 4.184 -10.911 -1.156 1.00 0.00 H new ATOM 0 HB3 PRO A 106 2.978 -10.632 -2.397 1.00 0.00 H new ATOM 0 HG2 PRO A 106 5.981 -10.617 -2.639 1.00 0.00 H new ATOM 0 HG3 PRO A 106 4.794 -11.319 -3.720 1.00 0.00 H new ATOM 0 HD2 PRO A 106 5.962 -8.918 -4.251 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.319 -9.267 -4.751 1.00 0.00 H new ATOM 349 N GLU A 107 6.085 -8.153 -0.750 1.00 0.00 N ATOM 350 CA GLU A 107 7.034 -7.861 0.319 1.00 0.00 C ATOM 351 C GLU A 107 6.830 -6.447 0.855 1.00 0.00 C ATOM 352 O GLU A 107 7.214 -6.140 1.984 1.00 0.00 O ATOM 353 CB GLU A 107 8.469 -8.025 -0.185 1.00 0.00 C ATOM 354 CG GLU A 107 8.686 -9.286 -1.005 1.00 0.00 C ATOM 355 CD GLU A 107 8.652 -10.545 -0.160 1.00 0.00 C ATOM 356 OE1 GLU A 107 9.492 -10.667 0.756 1.00 0.00 O ATOM 357 OE2 GLU A 107 7.785 -11.407 -0.414 1.00 0.00 O ATOM 0 H GLU A 107 6.459 -8.034 -1.691 1.00 0.00 H new ATOM 0 HA GLU A 107 6.858 -8.568 1.130 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.734 -7.158 -0.790 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.146 -8.036 0.669 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.918 -9.350 -1.776 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.647 -9.222 -1.516 1.00 0.00 H new ATOM 364 N ILE A 108 6.225 -5.592 0.038 1.00 0.00 N ATOM 365 CA ILE A 108 5.970 -4.211 0.431 1.00 0.00 C ATOM 366 C ILE A 108 5.067 -4.147 1.657 1.00 0.00 C ATOM 367 O ILE A 108 4.089 -4.888 1.763 1.00 0.00 O ATOM 368 CB ILE A 108 5.321 -3.411 -0.714 1.00 0.00 C ATOM 369 CG1 ILE A 108 6.028 -3.708 -2.038 1.00 0.00 C ATOM 370 CG2 ILE A 108 5.361 -1.922 -0.408 1.00 0.00 C ATOM 371 CD1 ILE A 108 7.537 -3.705 -1.931 1.00 0.00 C ATOM 0 H ILE A 108 5.902 -5.831 -0.900 1.00 0.00 H new ATOM 0 HA ILE A 108 6.936 -3.767 0.671 1.00 0.00 H new ATOM 0 HB ILE A 108 4.278 -3.715 -0.805 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.700 -4.680 -2.406 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.723 -2.968 -2.778 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.899 -1.370 -1.226 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.816 -1.726 0.516 1.00 0.00 H new ATOM 0 HG23 ILE A 108 6.397 -1.602 -0.294 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.971 -3.923 -2.907 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.876 -2.726 -1.593 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.853 -4.465 -1.216 1.00 0.00 H new ATOM 383 N THR A 109 5.399 -3.253 2.584 1.00 0.00 N ATOM 384 CA THR A 109 4.618 -3.090 3.803 1.00 0.00 C ATOM 385 C THR A 109 4.336 -1.618 4.083 1.00 0.00 C ATOM 386 O THR A 109 5.198 -0.761 3.885 1.00 0.00 O ATOM 387 CB THR A 109 5.338 -3.703 5.019 1.00 0.00 C ATOM 388 OG1 THR A 109 6.544 -2.980 5.289 1.00 0.00 O ATOM 389 CG2 THR A 109 5.665 -5.169 4.771 1.00 0.00 C ATOM 0 H THR A 109 6.204 -2.631 2.513 1.00 0.00 H new ATOM 0 HA THR A 109 3.676 -3.615 3.646 1.00 0.00 H new ATOM 0 HB THR A 109 4.673 -3.635 5.880 1.00 0.00 H new ATOM 0 HG1 THR A 109 6.995 -3.374 6.064 1.00 0.00 H new ATOM 0 HG21 THR A 109 6.173 -5.581 5.643 1.00 0.00 H new ATOM 0 HG22 THR A 109 4.743 -5.722 4.593 1.00 0.00 H new ATOM 0 HG23 THR A 109 6.313 -5.255 3.899 1.00 0.00 H new ATOM 397 N THR A 110 3.124 -1.330 4.547 1.00 0.00 N ATOM 398 CA THR A 110 2.729 0.039 4.854 1.00 0.00 C ATOM 399 C THR A 110 3.891 0.827 5.447 1.00 0.00 C ATOM 400 O THR A 110 4.001 2.036 5.244 1.00 0.00 O ATOM 401 CB THR A 110 1.544 0.074 5.838 1.00 0.00 C ATOM 402 OG1 THR A 110 0.434 -0.649 5.295 1.00 0.00 O ATOM 403 CG2 THR A 110 1.127 1.508 6.132 1.00 0.00 C ATOM 0 H THR A 110 2.399 -2.027 4.718 1.00 0.00 H new ATOM 0 HA THR A 110 2.425 0.499 3.914 1.00 0.00 H new ATOM 0 HB THR A 110 1.861 -0.394 6.770 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.314 -0.623 5.927 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.289 1.508 6.829 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.965 2.048 6.573 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.828 1.997 5.205 1.00 0.00 H new ATOM 411 N GLU A 111 4.757 0.134 6.180 1.00 0.00 N ATOM 412 CA GLU A 111 5.912 0.771 6.802 1.00 0.00 C ATOM 413 C GLU A 111 6.976 1.105 5.761 1.00 0.00 C ATOM 414 O GLU A 111 7.486 2.224 5.716 1.00 0.00 O ATOM 415 CB GLU A 111 6.505 -0.139 7.880 1.00 0.00 C ATOM 416 CG GLU A 111 7.519 0.556 8.773 1.00 0.00 C ATOM 417 CD GLU A 111 8.511 -0.410 9.391 1.00 0.00 C ATOM 418 OE1 GLU A 111 8.824 -1.433 8.747 1.00 0.00 O ATOM 419 OE2 GLU A 111 8.974 -0.143 10.520 1.00 0.00 O ATOM 0 H GLU A 111 4.681 -0.868 6.357 1.00 0.00 H new ATOM 0 HA GLU A 111 5.577 1.700 7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.697 -0.530 8.498 1.00 0.00 H new ATOM 0 HB3 GLU A 111 6.982 -0.994 7.400 1.00 0.00 H new ATOM 0 HG2 GLU A 111 8.059 1.302 8.191 1.00 0.00 H new ATOM 0 HG3 GLU A 111 6.994 1.089 9.566 1.00 0.00 H new ATOM 426 N ASP A 112 7.306 0.125 4.926 1.00 0.00 N ATOM 427 CA ASP A 112 8.309 0.314 3.885 1.00 0.00 C ATOM 428 C ASP A 112 7.913 1.450 2.948 1.00 0.00 C ATOM 429 O ASP A 112 8.701 2.361 2.692 1.00 0.00 O ATOM 430 CB ASP A 112 8.498 -0.978 3.088 1.00 0.00 C ATOM 431 CG ASP A 112 9.394 -1.972 3.801 1.00 0.00 C ATOM 432 OD1 ASP A 112 10.023 -1.587 4.808 1.00 0.00 O ATOM 433 OD2 ASP A 112 9.466 -3.135 3.352 1.00 0.00 O ATOM 0 H ASP A 112 6.894 -0.808 4.950 1.00 0.00 H new ATOM 0 HA ASP A 112 9.251 0.576 4.367 1.00 0.00 H new ATOM 0 HB2 ASP A 112 7.525 -1.435 2.906 1.00 0.00 H new ATOM 0 HB3 ASP A 112 8.926 -0.741 2.114 1.00 0.00 H new ATOM 438 N ILE A 113 6.687 1.389 2.438 1.00 0.00 N ATOM 439 CA ILE A 113 6.186 2.413 1.529 1.00 0.00 C ATOM 440 C ILE A 113 6.396 3.809 2.105 1.00 0.00 C ATOM 441 O ILE A 113 6.731 4.748 1.382 1.00 0.00 O ATOM 442 CB ILE A 113 4.689 2.214 1.227 1.00 0.00 C ATOM 443 CG1 ILE A 113 4.456 0.854 0.567 1.00 0.00 C ATOM 444 CG2 ILE A 113 4.175 3.336 0.337 1.00 0.00 C ATOM 445 CD1 ILE A 113 3.044 0.662 0.060 1.00 0.00 C ATOM 0 H ILE A 113 6.023 0.642 2.639 1.00 0.00 H new ATOM 0 HA ILE A 113 6.751 2.316 0.602 1.00 0.00 H new ATOM 0 HB ILE A 113 4.137 2.240 2.167 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.151 0.739 -0.265 1.00 0.00 H new ATOM 0 HG13 ILE A 113 4.686 0.067 1.285 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.116 3.182 0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.311 4.292 0.842 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.729 3.339 -0.602 1.00 0.00 H new ATOM 0 HD11 ILE A 113 2.952 -0.324 -0.395 1.00 0.00 H new ATOM 0 HD12 ILE A 113 2.344 0.744 0.892 1.00 0.00 H new ATOM 0 HD13 ILE A 113 2.817 1.427 -0.682 1.00 0.00 H new ATOM 457 N LYS A 114 6.199 3.940 3.412 1.00 0.00 N ATOM 458 CA LYS A 114 6.369 5.221 4.088 1.00 0.00 C ATOM 459 C LYS A 114 7.832 5.651 4.078 1.00 0.00 C ATOM 460 O LYS A 114 8.139 6.838 3.972 1.00 0.00 O ATOM 461 CB LYS A 114 5.863 5.131 5.530 1.00 0.00 C ATOM 462 CG LYS A 114 4.392 5.479 5.681 1.00 0.00 C ATOM 463 CD LYS A 114 4.068 5.928 7.096 1.00 0.00 C ATOM 464 CE LYS A 114 2.705 6.599 7.169 1.00 0.00 C ATOM 465 NZ LYS A 114 1.615 5.615 7.417 1.00 0.00 N ATOM 0 H LYS A 114 5.921 3.174 4.025 1.00 0.00 H new ATOM 0 HA LYS A 114 5.785 5.968 3.550 1.00 0.00 H new ATOM 0 HB2 LYS A 114 6.029 4.120 5.902 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.452 5.801 6.156 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.130 6.270 4.978 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.784 4.611 5.425 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.088 5.068 7.765 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.835 6.620 7.444 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.709 7.344 7.964 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.511 7.129 6.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 0.702 6.112 7.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 1.594 4.918 6.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 1.786 5.127 8.319 1.00 0.00 H new ATOM 479 N SER A 115 8.731 4.678 4.187 1.00 0.00 N ATOM 480 CA SER A 115 10.163 4.957 4.193 1.00 0.00 C ATOM 481 C SER A 115 10.741 4.859 2.784 1.00 0.00 C ATOM 482 O SER A 115 11.880 5.254 2.540 1.00 0.00 O ATOM 483 CB SER A 115 10.890 3.984 5.123 1.00 0.00 C ATOM 484 OG SER A 115 12.255 4.338 5.265 1.00 0.00 O ATOM 0 H SER A 115 8.494 3.690 4.272 1.00 0.00 H new ATOM 0 HA SER A 115 10.308 5.974 4.557 1.00 0.00 H new ATOM 0 HB2 SER A 115 10.408 3.982 6.101 1.00 0.00 H new ATOM 0 HB3 SER A 115 10.813 2.971 4.727 1.00 0.00 H new ATOM 0 HG SER A 115 12.597 4.672 4.409 1.00 0.00 H new ATOM 490 N ALA A 116 9.945 4.330 1.860 1.00 0.00 N ATOM 491 CA ALA A 116 10.376 4.181 0.476 1.00 0.00 C ATOM 492 C ALA A 116 10.007 5.410 -0.349 1.00 0.00 C ATOM 493 O ALA A 116 10.723 5.784 -1.277 1.00 0.00 O ATOM 494 CB ALA A 116 9.763 2.929 -0.136 1.00 0.00 C ATOM 0 H ALA A 116 8.999 3.998 2.045 1.00 0.00 H new ATOM 0 HA ALA A 116 11.461 4.082 0.468 1.00 0.00 H new ATOM 0 HB1 ALA A 116 10.093 2.830 -1.170 1.00 0.00 H new ATOM 0 HB2 ALA A 116 10.080 2.054 0.431 1.00 0.00 H new ATOM 0 HB3 ALA A 116 8.676 3.005 -0.108 1.00 0.00 H new ATOM 500 N PHE A 117 8.885 6.033 -0.004 1.00 0.00 N ATOM 501 CA PHE A 117 8.420 7.219 -0.714 1.00 0.00 C ATOM 502 C PHE A 117 8.863 8.491 0.004 1.00 0.00 C ATOM 503 O PHE A 117 8.648 9.599 -0.485 1.00 0.00 O ATOM 504 CB PHE A 117 6.896 7.197 -0.843 1.00 0.00 C ATOM 505 CG PHE A 117 6.396 6.232 -1.880 1.00 0.00 C ATOM 506 CD1 PHE A 117 6.532 4.865 -1.696 1.00 0.00 C ATOM 507 CD2 PHE A 117 5.790 6.691 -3.038 1.00 0.00 C ATOM 508 CE1 PHE A 117 6.073 3.975 -2.648 1.00 0.00 C ATOM 509 CE2 PHE A 117 5.328 5.806 -3.993 1.00 0.00 C ATOM 510 CZ PHE A 117 5.471 4.446 -3.799 1.00 0.00 C ATOM 0 H PHE A 117 8.281 5.736 0.763 1.00 0.00 H new ATOM 0 HA PHE A 117 8.862 7.212 -1.710 1.00 0.00 H new ATOM 0 HB2 PHE A 117 6.461 6.938 0.122 1.00 0.00 H new ATOM 0 HB3 PHE A 117 6.546 8.199 -1.092 1.00 0.00 H new ATOM 0 HD1 PHE A 117 7.002 4.491 -0.798 1.00 0.00 H new ATOM 0 HD2 PHE A 117 5.677 7.753 -3.196 1.00 0.00 H new ATOM 0 HE1 PHE A 117 6.185 2.912 -2.493 1.00 0.00 H new ATOM 0 HE2 PHE A 117 4.855 6.177 -4.890 1.00 0.00 H new ATOM 0 HZ PHE A 117 5.113 3.752 -4.545 1.00 0.00 H new ATOM 520 N ALA A 118 9.482 8.321 1.168 1.00 0.00 N ATOM 521 CA ALA A 118 9.956 9.454 1.953 1.00 0.00 C ATOM 522 C ALA A 118 10.928 10.310 1.149 1.00 0.00 C ATOM 523 O ALA A 118 10.832 11.537 1.116 1.00 0.00 O ATOM 524 CB ALA A 118 10.614 8.968 3.236 1.00 0.00 C ATOM 0 H ALA A 118 9.667 7.410 1.588 1.00 0.00 H new ATOM 0 HA ALA A 118 9.096 10.072 2.210 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.963 9.824 3.813 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.890 8.405 3.825 1.00 0.00 H new ATOM 0 HB3 ALA A 118 11.460 8.326 2.990 1.00 0.00 H new ATOM 530 N PRO A 119 11.889 9.651 0.485 1.00 0.00 N ATOM 531 CA PRO A 119 12.898 10.333 -0.331 1.00 0.00 C ATOM 532 C PRO A 119 12.282 11.364 -1.272 1.00 0.00 C ATOM 533 O PRO A 119 12.978 12.236 -1.794 1.00 0.00 O ATOM 534 CB PRO A 119 13.536 9.194 -1.131 1.00 0.00 C ATOM 535 CG PRO A 119 13.332 7.981 -0.291 1.00 0.00 C ATOM 536 CD PRO A 119 12.064 8.189 0.478 1.00 0.00 C ATOM 0 HA PRO A 119 13.606 10.892 0.280 1.00 0.00 H new ATOM 0 HB2 PRO A 119 13.064 9.083 -2.107 1.00 0.00 H new ATOM 0 HB3 PRO A 119 14.595 9.379 -1.308 1.00 0.00 H new ATOM 0 HG2 PRO A 119 13.264 7.088 -0.913 1.00 0.00 H new ATOM 0 HG3 PRO A 119 14.174 7.835 0.386 1.00 0.00 H new ATOM 0 HD2 PRO A 119 11.221 7.688 0.002 1.00 0.00 H new ATOM 0 HD3 PRO A 119 12.141 7.791 1.490 1.00 0.00 H new ATOM 544 N PHE A 120 10.975 11.259 -1.483 1.00 0.00 N ATOM 545 CA PHE A 120 10.266 12.182 -2.362 1.00 0.00 C ATOM 546 C PHE A 120 9.686 13.350 -1.569 1.00 0.00 C ATOM 547 O PHE A 120 9.561 14.462 -2.082 1.00 0.00 O ATOM 548 CB PHE A 120 9.147 11.453 -3.107 1.00 0.00 C ATOM 549 CG PHE A 120 9.597 10.182 -3.769 1.00 0.00 C ATOM 550 CD1 PHE A 120 10.531 10.211 -4.793 1.00 0.00 C ATOM 551 CD2 PHE A 120 9.087 8.958 -3.368 1.00 0.00 C ATOM 552 CE1 PHE A 120 10.946 9.043 -5.404 1.00 0.00 C ATOM 553 CE2 PHE A 120 9.499 7.786 -3.975 1.00 0.00 C ATOM 554 CZ PHE A 120 10.430 7.829 -4.994 1.00 0.00 C ATOM 0 H PHE A 120 10.385 10.544 -1.058 1.00 0.00 H new ATOM 0 HA PHE A 120 10.980 12.575 -3.086 1.00 0.00 H new ATOM 0 HB2 PHE A 120 8.344 11.224 -2.406 1.00 0.00 H new ATOM 0 HB3 PHE A 120 8.730 12.119 -3.863 1.00 0.00 H new ATOM 0 HD1 PHE A 120 10.939 11.157 -5.117 1.00 0.00 H new ATOM 0 HD2 PHE A 120 8.359 8.919 -2.572 1.00 0.00 H new ATOM 0 HE1 PHE A 120 11.673 9.079 -6.202 1.00 0.00 H new ATOM 0 HE2 PHE A 120 9.093 6.838 -3.653 1.00 0.00 H new ATOM 0 HZ PHE A 120 10.754 6.915 -5.470 1.00 0.00 H new ATOM 564 N GLY A 121 9.334 13.089 -0.314 1.00 0.00 N ATOM 565 CA GLY A 121 8.772 14.127 0.530 1.00 0.00 C ATOM 566 C GLY A 121 8.029 13.564 1.726 1.00 0.00 C ATOM 567 O GLY A 121 7.951 12.348 1.901 1.00 0.00 O ATOM 0 H GLY A 121 9.428 12.177 0.133 1.00 0.00 H new ATOM 0 HA2 GLY A 121 9.572 14.781 0.878 1.00 0.00 H new ATOM 0 HA3 GLY A 121 8.092 14.742 -0.060 1.00 0.00 H new ATOM 571 N LYS A 122 7.484 14.450 2.552 1.00 0.00 N ATOM 572 CA LYS A 122 6.744 14.035 3.739 1.00 0.00 C ATOM 573 C LYS A 122 5.494 13.250 3.354 1.00 0.00 C ATOM 574 O LYS A 122 4.809 13.590 2.388 1.00 0.00 O ATOM 575 CB LYS A 122 6.355 15.256 4.575 1.00 0.00 C ATOM 576 CG LYS A 122 5.606 14.907 5.849 1.00 0.00 C ATOM 577 CD LYS A 122 6.558 14.507 6.964 1.00 0.00 C ATOM 578 CE LYS A 122 5.804 14.044 8.201 1.00 0.00 C ATOM 579 NZ LYS A 122 6.707 13.890 9.375 1.00 0.00 N ATOM 0 H LYS A 122 7.540 15.460 2.422 1.00 0.00 H new ATOM 0 HA LYS A 122 7.390 13.387 4.332 1.00 0.00 H new ATOM 0 HB2 LYS A 122 7.257 15.811 4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.736 15.918 3.970 1.00 0.00 H new ATOM 0 HG2 LYS A 122 5.010 15.762 6.168 1.00 0.00 H new ATOM 0 HG3 LYS A 122 4.912 14.090 5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 122 7.213 13.708 6.616 1.00 0.00 H new ATOM 0 HD3 LYS A 122 7.196 15.353 7.221 1.00 0.00 H new ATOM 0 HE2 LYS A 122 5.019 14.762 8.438 1.00 0.00 H new ATOM 0 HE3 LYS A 122 5.313 13.093 7.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 6.156 13.573 10.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 7.441 13.186 9.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 7.156 14.803 9.590 1.00 0.00 H new ATOM 593 N ILE A 123 5.203 12.201 4.115 1.00 0.00 N ATOM 594 CA ILE A 123 4.034 11.370 3.854 1.00 0.00 C ATOM 595 C ILE A 123 2.957 11.589 4.912 1.00 0.00 C ATOM 596 O ILE A 123 3.231 11.543 6.111 1.00 0.00 O ATOM 597 CB ILE A 123 4.403 9.875 3.816 1.00 0.00 C ATOM 598 CG1 ILE A 123 5.358 9.593 2.654 1.00 0.00 C ATOM 599 CG2 ILE A 123 3.148 9.023 3.696 1.00 0.00 C ATOM 600 CD1 ILE A 123 5.936 8.196 2.673 1.00 0.00 C ATOM 0 H ILE A 123 5.760 11.906 4.917 1.00 0.00 H new ATOM 0 HA ILE A 123 3.648 11.666 2.878 1.00 0.00 H new ATOM 0 HB ILE A 123 4.907 9.616 4.747 1.00 0.00 H new ATOM 0 HG12 ILE A 123 4.828 9.746 1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 123 6.174 10.315 2.681 1.00 0.00 H new ATOM 0 HG21 ILE A 123 3.425 7.969 3.670 1.00 0.00 H new ATOM 0 HG22 ILE A 123 2.500 9.207 4.553 1.00 0.00 H new ATOM 0 HG23 ILE A 123 2.619 9.282 2.779 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.603 8.067 1.821 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.494 8.046 3.597 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.128 7.467 2.615 1.00 0.00 H new ATOM 612 N SER A 124 1.730 11.825 4.458 1.00 0.00 N ATOM 613 CA SER A 124 0.611 12.053 5.365 1.00 0.00 C ATOM 614 C SER A 124 -0.203 10.777 5.555 1.00 0.00 C ATOM 615 O SER A 124 -0.481 10.366 6.682 1.00 0.00 O ATOM 616 CB SER A 124 -0.288 13.170 4.830 1.00 0.00 C ATOM 617 OG SER A 124 -1.009 12.741 3.688 1.00 0.00 O ATOM 0 H SER A 124 1.486 11.863 3.468 1.00 0.00 H new ATOM 0 HA SER A 124 1.015 12.353 6.332 1.00 0.00 H new ATOM 0 HB2 SER A 124 -0.985 13.484 5.607 1.00 0.00 H new ATOM 0 HB3 SER A 124 0.319 14.039 4.576 1.00 0.00 H new ATOM 0 HG SER A 124 -1.577 13.472 3.366 1.00 0.00 H new ATOM 623 N ASP A 125 -0.583 10.154 4.445 1.00 0.00 N ATOM 624 CA ASP A 125 -1.365 8.924 4.487 1.00 0.00 C ATOM 625 C ASP A 125 -0.833 7.907 3.482 1.00 0.00 C ATOM 626 O ASP A 125 -0.821 8.159 2.277 1.00 0.00 O ATOM 627 CB ASP A 125 -2.838 9.220 4.201 1.00 0.00 C ATOM 628 CG ASP A 125 -3.764 8.180 4.798 1.00 0.00 C ATOM 629 OD1 ASP A 125 -3.496 7.726 5.931 1.00 0.00 O ATOM 630 OD2 ASP A 125 -4.758 7.819 4.134 1.00 0.00 O ATOM 0 H ASP A 125 -0.362 10.481 3.504 1.00 0.00 H new ATOM 0 HA ASP A 125 -1.276 8.500 5.487 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -3.093 10.201 4.601 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -2.994 9.265 3.123 1.00 0.00 H new ATOM 635 N ALA A 126 -0.392 6.759 3.986 1.00 0.00 N ATOM 636 CA ALA A 126 0.140 5.704 3.132 1.00 0.00 C ATOM 637 C ALA A 126 -0.275 4.327 3.638 1.00 0.00 C ATOM 638 O ALA A 126 -0.031 3.980 4.794 1.00 0.00 O ATOM 639 CB ALA A 126 1.656 5.805 3.053 1.00 0.00 C ATOM 0 H ALA A 126 -0.393 6.536 4.981 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.275 5.835 2.133 1.00 0.00 H new ATOM 0 HB1 ALA A 126 2.041 5.011 2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.935 6.774 2.638 1.00 0.00 H new ATOM 0 HB3 ALA A 126 2.080 5.702 4.052 1.00 0.00 H new ATOM 645 N ARG A 127 -0.904 3.546 2.766 1.00 0.00 N ATOM 646 CA ARG A 127 -1.355 2.207 3.125 1.00 0.00 C ATOM 647 C ARG A 127 -1.304 1.274 1.919 1.00 0.00 C ATOM 648 O ARG A 127 -1.349 1.721 0.773 1.00 0.00 O ATOM 649 CB ARG A 127 -2.779 2.258 3.684 1.00 0.00 C ATOM 650 CG ARG A 127 -3.855 2.103 2.622 1.00 0.00 C ATOM 651 CD ARG A 127 -5.242 2.028 3.242 1.00 0.00 C ATOM 652 NE ARG A 127 -5.578 0.673 3.670 1.00 0.00 N ATOM 653 CZ ARG A 127 -6.785 0.314 4.093 1.00 0.00 C ATOM 654 NH1 ARG A 127 -7.765 1.205 4.144 1.00 0.00 N ATOM 655 NH2 ARG A 127 -7.012 -0.939 4.466 1.00 0.00 N ATOM 0 H ARG A 127 -1.113 3.818 1.805 1.00 0.00 H new ATOM 0 HA ARG A 127 -0.684 1.819 3.892 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -2.897 1.469 4.427 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -2.924 3.207 4.201 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -3.809 2.944 1.930 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -3.666 1.201 2.040 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -5.293 2.702 4.097 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -5.981 2.374 2.519 1.00 0.00 H new ATOM 0 HE ARG A 127 -4.846 -0.037 3.643 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -7.593 2.169 3.858 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -8.691 0.927 4.469 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -6.260 -1.627 4.428 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -7.939 -1.214 4.791 1.00 0.00 H new ATOM 669 N VAL A 128 -1.207 -0.024 2.185 1.00 0.00 N ATOM 670 CA VAL A 128 -1.150 -1.021 1.122 1.00 0.00 C ATOM 671 C VAL A 128 -2.398 -1.896 1.122 1.00 0.00 C ATOM 672 O VAL A 128 -2.515 -2.830 1.915 1.00 0.00 O ATOM 673 CB VAL A 128 0.094 -1.919 1.262 1.00 0.00 C ATOM 674 CG1 VAL A 128 0.258 -2.384 2.701 1.00 0.00 C ATOM 675 CG2 VAL A 128 0.000 -3.107 0.317 1.00 0.00 C ATOM 0 H VAL A 128 -1.166 -0.411 3.128 1.00 0.00 H new ATOM 0 HA VAL A 128 -1.092 -0.477 0.179 1.00 0.00 H new ATOM 0 HB VAL A 128 0.975 -1.336 0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 128 1.142 -3.017 2.780 1.00 0.00 H new ATOM 0 HG12 VAL A 128 0.373 -1.518 3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -0.623 -2.951 3.003 1.00 0.00 H new ATOM 0 HG21 VAL A 128 0.886 -3.731 0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -0.888 -3.692 0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -0.066 -2.750 -0.711 1.00 0.00 H new ATOM 685 N VAL A 129 -3.330 -1.588 0.225 1.00 0.00 N ATOM 686 CA VAL A 129 -4.570 -2.347 0.119 1.00 0.00 C ATOM 687 C VAL A 129 -4.294 -3.846 0.065 1.00 0.00 C ATOM 688 O VAL A 129 -3.500 -4.313 -0.751 1.00 0.00 O ATOM 689 CB VAL A 129 -5.373 -1.939 -1.131 1.00 0.00 C ATOM 690 CG1 VAL A 129 -6.701 -2.679 -1.177 1.00 0.00 C ATOM 691 CG2 VAL A 129 -5.591 -0.434 -1.156 1.00 0.00 C ATOM 0 H VAL A 129 -3.249 -0.818 -0.439 1.00 0.00 H new ATOM 0 HA VAL A 129 -5.157 -2.120 1.009 1.00 0.00 H new ATOM 0 HB VAL A 129 -4.800 -2.215 -2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -7.255 -2.378 -2.067 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -6.518 -3.753 -1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -7.283 -2.437 -0.288 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -6.160 -0.163 -2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.143 -0.132 -0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -4.626 0.073 -1.174 1.00 0.00 H new ATOM 701 N LYS A 130 -4.955 -4.595 0.941 1.00 0.00 N ATOM 702 CA LYS A 130 -4.784 -6.042 0.994 1.00 0.00 C ATOM 703 C LYS A 130 -6.135 -6.750 0.998 1.00 0.00 C ATOM 704 O LYS A 130 -7.133 -6.200 1.464 1.00 0.00 O ATOM 705 CB LYS A 130 -3.985 -6.436 2.238 1.00 0.00 C ATOM 706 CG LYS A 130 -2.486 -6.501 2.004 1.00 0.00 C ATOM 707 CD LYS A 130 -1.734 -6.809 3.287 1.00 0.00 C ATOM 708 CE LYS A 130 -0.240 -6.567 3.130 1.00 0.00 C ATOM 709 NZ LYS A 130 0.548 -7.260 4.186 1.00 0.00 N ATOM 0 H LYS A 130 -5.615 -4.223 1.625 1.00 0.00 H new ATOM 0 HA LYS A 130 -4.235 -6.351 0.104 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -4.189 -5.718 3.033 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -4.332 -7.408 2.589 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -2.266 -7.266 1.260 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -2.139 -5.551 1.597 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -2.121 -6.188 4.095 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -1.908 -7.847 3.571 1.00 0.00 H new ATOM 0 HE2 LYS A 130 0.083 -6.915 2.149 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -0.039 -5.496 3.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 1.561 -7.070 4.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 0.258 -6.910 5.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 0.377 -8.284 4.131 1.00 0.00 H new ATOM 723 N ASP A 131 -6.159 -7.972 0.478 1.00 0.00 N ATOM 724 CA ASP A 131 -7.387 -8.756 0.424 1.00 0.00 C ATOM 725 C ASP A 131 -7.999 -8.904 1.814 1.00 0.00 C ATOM 726 O ASP A 131 -7.301 -8.806 2.823 1.00 0.00 O ATOM 727 CB ASP A 131 -7.110 -10.137 -0.173 1.00 0.00 C ATOM 728 CG ASP A 131 -7.244 -10.151 -1.683 1.00 0.00 C ATOM 729 OD1 ASP A 131 -6.525 -9.378 -2.351 1.00 0.00 O ATOM 730 OD2 ASP A 131 -8.067 -10.936 -2.198 1.00 0.00 O ATOM 0 H ASP A 131 -5.342 -8.441 0.088 1.00 0.00 H new ATOM 0 HA ASP A 131 -8.097 -8.229 -0.213 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -6.104 -10.454 0.103 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -7.802 -10.861 0.257 1.00 0.00 H new ATOM 735 N MET A 132 -9.306 -9.139 1.858 1.00 0.00 N ATOM 736 CA MET A 132 -10.011 -9.299 3.124 1.00 0.00 C ATOM 737 C MET A 132 -10.187 -10.776 3.465 1.00 0.00 C ATOM 738 O MET A 132 -10.456 -11.130 4.612 1.00 0.00 O ATOM 739 CB MET A 132 -11.377 -8.612 3.063 1.00 0.00 C ATOM 740 CG MET A 132 -12.184 -8.973 1.827 1.00 0.00 C ATOM 741 SD MET A 132 -13.799 -8.171 1.792 1.00 0.00 S ATOM 742 CE MET A 132 -13.503 -6.867 0.601 1.00 0.00 C ATOM 0 H MET A 132 -9.898 -9.223 1.032 1.00 0.00 H new ATOM 0 HA MET A 132 -9.412 -8.832 3.906 1.00 0.00 H new ATOM 0 HB2 MET A 132 -11.949 -8.880 3.951 1.00 0.00 H new ATOM 0 HB3 MET A 132 -11.233 -7.532 3.090 1.00 0.00 H new ATOM 0 HG2 MET A 132 -11.623 -8.690 0.936 1.00 0.00 H new ATOM 0 HG3 MET A 132 -12.319 -10.054 1.789 1.00 0.00 H new ATOM 0 HE1 MET A 132 -14.412 -6.281 0.470 1.00 0.00 H new ATOM 0 HE2 MET A 132 -12.703 -6.220 0.961 1.00 0.00 H new ATOM 0 HE3 MET A 132 -13.213 -7.305 -0.354 1.00 0.00 H new ATOM 752 N ALA A 133 -10.035 -11.632 2.460 1.00 0.00 N ATOM 753 CA ALA A 133 -10.175 -13.070 2.654 1.00 0.00 C ATOM 754 C ALA A 133 -8.813 -13.743 2.781 1.00 0.00 C ATOM 755 O ALA A 133 -8.525 -14.404 3.779 1.00 0.00 O ATOM 756 CB ALA A 133 -10.964 -13.683 1.507 1.00 0.00 C ATOM 0 H ALA A 133 -9.815 -11.355 1.503 1.00 0.00 H new ATOM 0 HA ALA A 133 -10.720 -13.234 3.584 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -11.061 -14.757 1.665 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -11.955 -13.232 1.465 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -10.442 -13.500 0.568 1.00 0.00 H new ATOM 762 N THR A 134 -7.976 -13.571 1.762 1.00 0.00 N ATOM 763 CA THR A 134 -6.645 -14.163 1.758 1.00 0.00 C ATOM 764 C THR A 134 -5.665 -13.317 2.563 1.00 0.00 C ATOM 765 O THR A 134 -4.740 -13.841 3.183 1.00 0.00 O ATOM 766 CB THR A 134 -6.107 -14.327 0.324 1.00 0.00 C ATOM 767 OG1 THR A 134 -5.959 -13.044 -0.294 1.00 0.00 O ATOM 768 CG2 THR A 134 -7.041 -15.192 -0.509 1.00 0.00 C ATOM 0 H THR A 134 -8.197 -13.026 0.929 1.00 0.00 H new ATOM 0 HA THR A 134 -6.735 -15.147 2.219 1.00 0.00 H new ATOM 0 HB THR A 134 -5.135 -14.818 0.379 1.00 0.00 H new ATOM 0 HG1 THR A 134 -5.615 -13.157 -1.205 1.00 0.00 H new ATOM 0 HG21 THR A 134 -6.640 -15.293 -1.518 1.00 0.00 H new ATOM 0 HG22 THR A 134 -7.128 -16.178 -0.052 1.00 0.00 H new ATOM 0 HG23 THR A 134 -8.025 -14.725 -0.555 1.00 0.00 H new ATOM 776 N GLY A 135 -5.873 -12.004 2.549 1.00 0.00 N ATOM 777 CA GLY A 135 -5.000 -11.106 3.282 1.00 0.00 C ATOM 778 C GLY A 135 -3.664 -10.908 2.595 1.00 0.00 C ATOM 779 O GLY A 135 -2.654 -10.644 3.248 1.00 0.00 O ATOM 0 H GLY A 135 -6.631 -11.546 2.043 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -5.492 -10.140 3.398 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -4.835 -11.502 4.284 1.00 0.00 H new ATOM 783 N LYS A 136 -3.656 -11.036 1.272 1.00 0.00 N ATOM 784 CA LYS A 136 -2.434 -10.870 0.494 1.00 0.00 C ATOM 785 C LYS A 136 -2.398 -9.500 -0.176 1.00 0.00 C ATOM 786 O LYS A 136 -3.424 -8.832 -0.300 1.00 0.00 O ATOM 787 CB LYS A 136 -2.324 -11.970 -0.564 1.00 0.00 C ATOM 788 CG LYS A 136 -2.388 -13.375 0.011 1.00 0.00 C ATOM 789 CD LYS A 136 -2.509 -14.421 -1.085 1.00 0.00 C ATOM 790 CE LYS A 136 -2.252 -15.821 -0.550 1.00 0.00 C ATOM 791 NZ LYS A 136 -2.367 -16.852 -1.618 1.00 0.00 N ATOM 0 H LYS A 136 -4.483 -11.254 0.716 1.00 0.00 H new ATOM 0 HA LYS A 136 -1.587 -10.945 1.175 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -3.128 -11.846 -1.290 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -1.385 -11.850 -1.105 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -1.493 -13.568 0.602 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -3.240 -13.454 0.687 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -3.505 -14.376 -1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -1.799 -14.199 -1.882 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -1.256 -15.864 -0.109 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -2.963 -16.042 0.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -2.185 -17.793 -1.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -3.325 -16.828 -2.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -1.671 -16.656 -2.366 1.00 0.00 H new ATOM 805 N SER A 137 -1.210 -9.089 -0.607 1.00 0.00 N ATOM 806 CA SER A 137 -1.040 -7.797 -1.263 1.00 0.00 C ATOM 807 C SER A 137 -1.910 -7.704 -2.513 1.00 0.00 C ATOM 808 O SER A 137 -1.545 -8.202 -3.578 1.00 0.00 O ATOM 809 CB SER A 137 0.428 -7.578 -1.633 1.00 0.00 C ATOM 810 OG SER A 137 0.895 -8.602 -2.494 1.00 0.00 O ATOM 0 H SER A 137 -0.351 -9.631 -0.514 1.00 0.00 H new ATOM 0 HA SER A 137 -1.351 -7.020 -0.565 1.00 0.00 H new ATOM 0 HB2 SER A 137 0.543 -6.609 -2.119 1.00 0.00 H new ATOM 0 HB3 SER A 137 1.035 -7.555 -0.728 1.00 0.00 H new ATOM 0 HG SER A 137 0.206 -8.810 -3.159 1.00 0.00 H new ATOM 816 N LYS A 138 -3.065 -7.062 -2.375 1.00 0.00 N ATOM 817 CA LYS A 138 -3.990 -6.900 -3.491 1.00 0.00 C ATOM 818 C LYS A 138 -3.242 -6.526 -4.767 1.00 0.00 C ATOM 819 O LYS A 138 -3.528 -7.050 -5.842 1.00 0.00 O ATOM 820 CB LYS A 138 -5.033 -5.829 -3.165 1.00 0.00 C ATOM 821 CG LYS A 138 -6.292 -6.382 -2.521 1.00 0.00 C ATOM 822 CD LYS A 138 -7.342 -6.735 -3.562 1.00 0.00 C ATOM 823 CE LYS A 138 -8.610 -7.269 -2.915 1.00 0.00 C ATOM 824 NZ LYS A 138 -9.521 -7.896 -3.913 1.00 0.00 N ATOM 0 H LYS A 138 -3.383 -6.645 -1.500 1.00 0.00 H new ATOM 0 HA LYS A 138 -4.495 -7.852 -3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -4.588 -5.091 -2.498 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -5.304 -5.306 -4.082 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -6.044 -7.269 -1.938 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -6.699 -5.647 -1.826 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -7.579 -5.852 -4.155 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -6.940 -7.481 -4.247 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -8.347 -8.002 -2.152 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -9.130 -6.455 -2.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -10.374 -8.247 -3.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -9.792 -7.190 -4.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -9.034 -8.689 -4.378 1.00 0.00 H new ATOM 838 N GLY A 139 -2.281 -5.616 -4.639 1.00 0.00 N ATOM 839 CA GLY A 139 -1.506 -5.189 -5.789 1.00 0.00 C ATOM 840 C GLY A 139 -1.647 -3.704 -6.064 1.00 0.00 C ATOM 841 O GLY A 139 -1.362 -3.240 -7.168 1.00 0.00 O ATOM 0 H GLY A 139 -2.026 -5.167 -3.759 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -0.455 -5.427 -5.624 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -1.825 -5.750 -6.667 1.00 0.00 H new ATOM 845 N TYR A 140 -2.089 -2.958 -5.058 1.00 0.00 N ATOM 846 CA TYR A 140 -2.270 -1.518 -5.197 1.00 0.00 C ATOM 847 C TYR A 140 -2.383 -0.848 -3.831 1.00 0.00 C ATOM 848 O TYR A 140 -2.800 -1.470 -2.855 1.00 0.00 O ATOM 849 CB TYR A 140 -3.519 -1.218 -6.029 1.00 0.00 C ATOM 850 CG TYR A 140 -4.784 -1.821 -5.461 1.00 0.00 C ATOM 851 CD1 TYR A 140 -5.527 -1.147 -4.500 1.00 0.00 C ATOM 852 CD2 TYR A 140 -5.237 -3.063 -5.887 1.00 0.00 C ATOM 853 CE1 TYR A 140 -6.683 -1.694 -3.978 1.00 0.00 C ATOM 854 CE2 TYR A 140 -6.392 -3.617 -5.371 1.00 0.00 C ATOM 855 CZ TYR A 140 -7.112 -2.929 -4.417 1.00 0.00 C ATOM 856 OH TYR A 140 -8.263 -3.477 -3.900 1.00 0.00 O ATOM 0 H TYR A 140 -2.329 -3.326 -4.138 1.00 0.00 H new ATOM 0 HA TYR A 140 -1.395 -1.115 -5.708 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -3.644 -0.138 -6.105 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -3.370 -1.594 -7.041 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -5.195 -0.179 -4.155 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -4.676 -3.605 -6.634 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -7.248 -1.157 -3.230 1.00 0.00 H new ATOM 0 HE2 TYR A 140 -6.730 -4.584 -5.713 1.00 0.00 H new ATOM 0 HH TYR A 140 -8.843 -3.771 -4.633 1.00 0.00 H new ATOM 866 N GLY A 141 -2.009 0.426 -3.771 1.00 0.00 N ATOM 867 CA GLY A 141 -2.075 1.161 -2.521 1.00 0.00 C ATOM 868 C GLY A 141 -2.296 2.646 -2.733 1.00 0.00 C ATOM 869 O GLY A 141 -2.546 3.090 -3.853 1.00 0.00 O ATOM 0 H GLY A 141 -1.661 0.963 -4.566 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -2.883 0.760 -1.909 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -1.150 1.010 -1.965 1.00 0.00 H new ATOM 873 N PHE A 142 -2.205 3.415 -1.653 1.00 0.00 N ATOM 874 CA PHE A 142 -2.399 4.859 -1.725 1.00 0.00 C ATOM 875 C PHE A 142 -1.330 5.592 -0.920 1.00 0.00 C ATOM 876 O PHE A 142 -0.951 5.159 0.169 1.00 0.00 O ATOM 877 CB PHE A 142 -3.789 5.234 -1.209 1.00 0.00 C ATOM 878 CG PHE A 142 -4.908 4.581 -1.969 1.00 0.00 C ATOM 879 CD1 PHE A 142 -5.202 4.971 -3.266 1.00 0.00 C ATOM 880 CD2 PHE A 142 -5.664 3.575 -1.388 1.00 0.00 C ATOM 881 CE1 PHE A 142 -6.231 4.372 -3.967 1.00 0.00 C ATOM 882 CE2 PHE A 142 -6.694 2.972 -2.085 1.00 0.00 C ATOM 883 CZ PHE A 142 -6.977 3.371 -3.377 1.00 0.00 C ATOM 0 H PHE A 142 -1.998 3.063 -0.718 1.00 0.00 H new ATOM 0 HA PHE A 142 -2.313 5.161 -2.769 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -3.864 4.956 -0.158 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -3.908 6.316 -1.262 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -4.620 5.752 -3.734 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -5.446 3.259 -0.379 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -6.452 4.687 -4.976 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -7.277 2.190 -1.620 1.00 0.00 H new ATOM 0 HZ PHE A 142 -7.780 2.901 -3.925 1.00 0.00 H new ATOM 893 N VAL A 143 -0.848 6.705 -1.463 1.00 0.00 N ATOM 894 CA VAL A 143 0.177 7.500 -0.796 1.00 0.00 C ATOM 895 C VAL A 143 -0.018 8.987 -1.068 1.00 0.00 C ATOM 896 O VAL A 143 0.233 9.464 -2.175 1.00 0.00 O ATOM 897 CB VAL A 143 1.590 7.087 -1.249 1.00 0.00 C ATOM 898 CG1 VAL A 143 2.609 8.144 -0.850 1.00 0.00 C ATOM 899 CG2 VAL A 143 1.961 5.731 -0.667 1.00 0.00 C ATOM 0 H VAL A 143 -1.151 7.077 -2.363 1.00 0.00 H new ATOM 0 HA VAL A 143 0.077 7.313 0.273 1.00 0.00 H new ATOM 0 HB VAL A 143 1.594 7.004 -2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 143 3.601 7.835 -1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 143 2.351 9.094 -1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 143 2.606 8.262 0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 143 2.962 5.455 -0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 143 1.940 5.784 0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 143 1.247 4.981 -1.008 1.00 0.00 H new ATOM 909 N SER A 144 -0.465 9.715 -0.050 1.00 0.00 N ATOM 910 CA SER A 144 -0.697 11.149 -0.180 1.00 0.00 C ATOM 911 C SER A 144 0.565 11.936 0.160 1.00 0.00 C ATOM 912 O SER A 144 1.418 11.469 0.915 1.00 0.00 O ATOM 913 CB SER A 144 -1.845 11.586 0.731 1.00 0.00 C ATOM 914 OG SER A 144 -2.422 12.799 0.279 1.00 0.00 O ATOM 0 H SER A 144 -0.674 9.336 0.874 1.00 0.00 H new ATOM 0 HA SER A 144 -0.966 11.356 -1.216 1.00 0.00 H new ATOM 0 HB2 SER A 144 -2.606 10.807 0.761 1.00 0.00 H new ATOM 0 HB3 SER A 144 -1.477 11.712 1.749 1.00 0.00 H new ATOM 0 HG SER A 144 -2.103 12.995 -0.627 1.00 0.00 H new ATOM 920 N PHE A 145 0.677 13.135 -0.403 1.00 0.00 N ATOM 921 CA PHE A 145 1.835 13.988 -0.162 1.00 0.00 C ATOM 922 C PHE A 145 1.400 15.392 0.247 1.00 0.00 C ATOM 923 O PHE A 145 0.337 15.866 -0.155 1.00 0.00 O ATOM 924 CB PHE A 145 2.714 14.057 -1.412 1.00 0.00 C ATOM 925 CG PHE A 145 3.762 12.983 -1.468 1.00 0.00 C ATOM 926 CD1 PHE A 145 3.489 11.760 -2.060 1.00 0.00 C ATOM 927 CD2 PHE A 145 5.021 13.197 -0.930 1.00 0.00 C ATOM 928 CE1 PHE A 145 4.452 10.770 -2.112 1.00 0.00 C ATOM 929 CE2 PHE A 145 5.988 12.210 -0.980 1.00 0.00 C ATOM 930 CZ PHE A 145 5.703 10.996 -1.573 1.00 0.00 C ATOM 0 H PHE A 145 -0.020 13.538 -1.029 1.00 0.00 H new ATOM 0 HA PHE A 145 2.412 13.553 0.654 1.00 0.00 H new ATOM 0 HB2 PHE A 145 2.081 13.982 -2.296 1.00 0.00 H new ATOM 0 HB3 PHE A 145 3.201 15.031 -1.450 1.00 0.00 H new ATOM 0 HD1 PHE A 145 2.513 11.579 -2.485 1.00 0.00 H new ATOM 0 HD2 PHE A 145 5.249 14.145 -0.466 1.00 0.00 H new ATOM 0 HE1 PHE A 145 4.226 9.820 -2.574 1.00 0.00 H new ATOM 0 HE2 PHE A 145 6.965 12.388 -0.556 1.00 0.00 H new ATOM 0 HZ PHE A 145 6.457 10.224 -1.615 1.00 0.00 H new ATOM 940 N TYR A 146 2.229 16.052 1.048 1.00 0.00 N ATOM 941 CA TYR A 146 1.929 17.401 1.514 1.00 0.00 C ATOM 942 C TYR A 146 1.938 18.392 0.354 1.00 0.00 C ATOM 943 O TYR A 146 1.178 19.360 0.344 1.00 0.00 O ATOM 944 CB TYR A 146 2.941 17.833 2.576 1.00 0.00 C ATOM 945 CG TYR A 146 2.556 17.426 3.980 1.00 0.00 C ATOM 946 CD1 TYR A 146 1.722 18.226 4.752 1.00 0.00 C ATOM 947 CD2 TYR A 146 3.025 16.242 4.535 1.00 0.00 C ATOM 948 CE1 TYR A 146 1.368 17.859 6.036 1.00 0.00 C ATOM 949 CE2 TYR A 146 2.675 15.866 5.818 1.00 0.00 C ATOM 950 CZ TYR A 146 1.846 16.678 6.564 1.00 0.00 C ATOM 951 OH TYR A 146 1.495 16.308 7.842 1.00 0.00 O ATOM 0 H TYR A 146 3.114 15.675 1.388 1.00 0.00 H new ATOM 0 HA TYR A 146 0.932 17.393 1.954 1.00 0.00 H new ATOM 0 HB2 TYR A 146 3.913 17.403 2.336 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.054 18.916 2.539 1.00 0.00 H new ATOM 0 HD1 TYR A 146 1.344 19.151 4.341 1.00 0.00 H new ATOM 0 HD2 TYR A 146 3.674 15.604 3.954 1.00 0.00 H new ATOM 0 HE1 TYR A 146 0.721 18.493 6.623 1.00 0.00 H new ATOM 0 HE2 TYR A 146 3.048 14.942 6.234 1.00 0.00 H new ATOM 0 HH TYR A 146 1.915 15.450 8.061 1.00 0.00 H new ATOM 961 N ASN A 147 2.805 18.143 -0.622 1.00 0.00 N ATOM 962 CA ASN A 147 2.914 19.013 -1.788 1.00 0.00 C ATOM 963 C ASN A 147 2.849 18.203 -3.079 1.00 0.00 C ATOM 964 O ASN A 147 2.988 16.979 -3.066 1.00 0.00 O ATOM 965 CB ASN A 147 4.220 19.808 -1.737 1.00 0.00 C ATOM 966 CG ASN A 147 4.499 20.372 -0.357 1.00 0.00 C ATOM 967 OD1 ASN A 147 5.368 19.880 0.363 1.00 0.00 O ATOM 968 ND2 ASN A 147 3.761 21.411 0.017 1.00 0.00 N ATOM 0 H ASN A 147 3.442 17.346 -0.629 1.00 0.00 H new ATOM 0 HA ASN A 147 2.073 19.707 -1.772 1.00 0.00 H new ATOM 0 HB2 ASN A 147 5.046 19.164 -2.037 1.00 0.00 H new ATOM 0 HB3 ASN A 147 4.174 20.624 -2.458 1.00 0.00 H new ATOM 0 HD21 ASN A 147 3.904 21.834 0.934 1.00 0.00 H new ATOM 0 HD22 ASN A 147 3.052 21.786 -0.613 1.00 0.00 H new ATOM 975 N LYS A 148 2.637 18.893 -4.194 1.00 0.00 N ATOM 976 CA LYS A 148 2.556 18.240 -5.496 1.00 0.00 C ATOM 977 C LYS A 148 3.918 17.701 -5.920 1.00 0.00 C ATOM 978 O LYS A 148 4.092 16.495 -6.098 1.00 0.00 O ATOM 979 CB LYS A 148 2.032 19.219 -6.549 1.00 0.00 C ATOM 980 CG LYS A 148 2.099 18.680 -7.967 1.00 0.00 C ATOM 981 CD LYS A 148 1.189 19.458 -8.903 1.00 0.00 C ATOM 982 CE LYS A 148 0.703 18.592 -10.055 1.00 0.00 C ATOM 983 NZ LYS A 148 1.649 18.615 -11.205 1.00 0.00 N ATOM 0 H LYS A 148 2.518 19.906 -4.223 1.00 0.00 H new ATOM 0 HA LYS A 148 1.864 17.402 -5.412 1.00 0.00 H new ATOM 0 HB2 LYS A 148 0.998 19.473 -6.314 1.00 0.00 H new ATOM 0 HB3 LYS A 148 2.608 20.143 -6.493 1.00 0.00 H new ATOM 0 HG2 LYS A 148 3.126 18.733 -8.329 1.00 0.00 H new ATOM 0 HG3 LYS A 148 1.813 17.628 -7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 148 0.333 19.839 -8.346 1.00 0.00 H new ATOM 0 HD3 LYS A 148 1.724 20.323 -9.297 1.00 0.00 H new ATOM 0 HE2 LYS A 148 0.577 17.566 -9.710 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -0.276 18.941 -10.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 1.281 18.013 -11.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 1.751 19.590 -11.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 2.577 18.258 -10.899 1.00 0.00 H new ATOM 997 N LEU A 149 4.882 18.601 -6.080 1.00 0.00 N ATOM 998 CA LEU A 149 6.230 18.216 -6.482 1.00 0.00 C ATOM 999 C LEU A 149 6.654 16.922 -5.794 1.00 0.00 C ATOM 1000 O LEU A 149 6.892 15.908 -6.450 1.00 0.00 O ATOM 1001 CB LEU A 149 7.221 19.332 -6.150 1.00 0.00 C ATOM 1002 CG LEU A 149 8.580 19.253 -6.847 1.00 0.00 C ATOM 1003 CD1 LEU A 149 8.436 19.546 -8.332 1.00 0.00 C ATOM 1004 CD2 LEU A 149 9.567 20.216 -6.204 1.00 0.00 C ATOM 0 H LEU A 149 4.755 19.603 -5.937 1.00 0.00 H new ATOM 0 HA LEU A 149 6.228 18.050 -7.559 1.00 0.00 H new ATOM 0 HB2 LEU A 149 6.760 20.287 -6.403 1.00 0.00 H new ATOM 0 HB3 LEU A 149 7.387 19.334 -5.073 1.00 0.00 H new ATOM 0 HG LEU A 149 8.966 18.240 -6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 149 9.413 19.485 -8.811 1.00 0.00 H new ATOM 0 HD12 LEU A 149 7.764 18.816 -8.783 1.00 0.00 H new ATOM 0 HD13 LEU A 149 8.027 20.547 -8.467 1.00 0.00 H new ATOM 0 HD21 LEU A 149 10.528 20.146 -6.713 1.00 0.00 H new ATOM 0 HD22 LEU A 149 9.187 21.234 -6.285 1.00 0.00 H new ATOM 0 HD23 LEU A 149 9.694 19.959 -5.152 1.00 0.00 H new ATOM 1016 N ASP A 150 6.744 16.964 -4.470 1.00 0.00 N ATOM 1017 CA ASP A 150 7.136 15.794 -3.692 1.00 0.00 C ATOM 1018 C ASP A 150 6.482 14.531 -4.243 1.00 0.00 C ATOM 1019 O ASP A 150 7.134 13.499 -4.398 1.00 0.00 O ATOM 1020 CB ASP A 150 6.756 15.981 -2.223 1.00 0.00 C ATOM 1021 CG ASP A 150 7.774 16.809 -1.462 1.00 0.00 C ATOM 1022 OD1 ASP A 150 8.954 16.820 -1.870 1.00 0.00 O ATOM 1023 OD2 ASP A 150 7.389 17.447 -0.460 1.00 0.00 O ATOM 0 H ASP A 150 6.551 17.796 -3.912 1.00 0.00 H new ATOM 0 HA ASP A 150 8.218 15.684 -3.768 1.00 0.00 H new ATOM 0 HB2 ASP A 150 5.781 16.464 -2.162 1.00 0.00 H new ATOM 0 HB3 ASP A 150 6.659 15.004 -1.749 1.00 0.00 H new ATOM 1028 N ALA A 151 5.188 14.621 -4.535 1.00 0.00 N ATOM 1029 CA ALA A 151 4.446 13.486 -5.069 1.00 0.00 C ATOM 1030 C ALA A 151 4.881 13.167 -6.495 1.00 0.00 C ATOM 1031 O ALA A 151 5.366 12.071 -6.775 1.00 0.00 O ATOM 1032 CB ALA A 151 2.951 13.764 -5.022 1.00 0.00 C ATOM 0 H ALA A 151 4.633 15.468 -4.411 1.00 0.00 H new ATOM 0 HA ALA A 151 4.663 12.617 -4.448 1.00 0.00 H new ATOM 0 HB1 ALA A 151 2.409 12.908 -5.424 1.00 0.00 H new ATOM 0 HB2 ALA A 151 2.645 13.935 -3.990 1.00 0.00 H new ATOM 0 HB3 ALA A 151 2.726 14.648 -5.618 1.00 0.00 H new ATOM 1038 N GLU A 152 4.704 14.131 -7.393 1.00 0.00 N ATOM 1039 CA GLU A 152 5.079 13.951 -8.791 1.00 0.00 C ATOM 1040 C GLU A 152 6.405 13.204 -8.907 1.00 0.00 C ATOM 1041 O GLU A 152 6.533 12.263 -9.689 1.00 0.00 O ATOM 1042 CB GLU A 152 5.180 15.306 -9.494 1.00 0.00 C ATOM 1043 CG GLU A 152 4.847 15.249 -10.975 1.00 0.00 C ATOM 1044 CD GLU A 152 6.040 14.862 -11.828 1.00 0.00 C ATOM 1045 OE1 GLU A 152 7.091 15.528 -11.714 1.00 0.00 O ATOM 1046 OE2 GLU A 152 5.923 13.894 -12.608 1.00 0.00 O ATOM 0 H GLU A 152 4.304 15.044 -7.178 1.00 0.00 H new ATOM 0 HA GLU A 152 4.304 13.357 -9.275 1.00 0.00 H new ATOM 0 HB2 GLU A 152 4.507 16.010 -9.006 1.00 0.00 H new ATOM 0 HB3 GLU A 152 6.191 15.695 -9.372 1.00 0.00 H new ATOM 0 HG2 GLU A 152 4.043 14.531 -11.135 1.00 0.00 H new ATOM 0 HG3 GLU A 152 4.475 16.222 -11.297 1.00 0.00 H new ATOM 1053 N ASN A 153 7.389 13.633 -8.124 1.00 0.00 N ATOM 1054 CA ASN A 153 8.706 13.007 -8.139 1.00 0.00 C ATOM 1055 C ASN A 153 8.587 11.488 -8.061 1.00 0.00 C ATOM 1056 O ASN A 153 9.080 10.771 -8.932 1.00 0.00 O ATOM 1057 CB ASN A 153 9.552 13.523 -6.974 1.00 0.00 C ATOM 1058 CG ASN A 153 10.347 14.762 -7.341 1.00 0.00 C ATOM 1059 OD1 ASN A 153 11.332 14.686 -8.075 1.00 0.00 O ATOM 1060 ND2 ASN A 153 9.920 15.911 -6.830 1.00 0.00 N ATOM 0 H ASN A 153 7.299 14.412 -7.471 1.00 0.00 H new ATOM 0 HA ASN A 153 9.194 13.268 -9.078 1.00 0.00 H new ATOM 0 HB2 ASN A 153 8.902 13.749 -6.129 1.00 0.00 H new ATOM 0 HB3 ASN A 153 10.236 12.739 -6.650 1.00 0.00 H new ATOM 0 HD21 ASN A 153 10.414 16.778 -7.042 1.00 0.00 H new ATOM 0 HD22 ASN A 153 9.098 15.926 -6.226 1.00 0.00 H new ATOM 1067 N ALA A 154 7.928 11.004 -7.013 1.00 0.00 N ATOM 1068 CA ALA A 154 7.742 9.571 -6.823 1.00 0.00 C ATOM 1069 C ALA A 154 7.049 8.943 -8.027 1.00 0.00 C ATOM 1070 O ALA A 154 7.545 7.976 -8.607 1.00 0.00 O ATOM 1071 CB ALA A 154 6.944 9.306 -5.555 1.00 0.00 C ATOM 0 H ALA A 154 7.514 11.584 -6.283 1.00 0.00 H new ATOM 0 HA ALA A 154 8.726 9.112 -6.723 1.00 0.00 H new ATOM 0 HB1 ALA A 154 6.813 8.232 -5.426 1.00 0.00 H new ATOM 0 HB2 ALA A 154 7.479 9.712 -4.697 1.00 0.00 H new ATOM 0 HB3 ALA A 154 5.968 9.784 -5.633 1.00 0.00 H new ATOM 1077 N ILE A 155 5.900 9.497 -8.398 1.00 0.00 N ATOM 1078 CA ILE A 155 5.139 8.991 -9.534 1.00 0.00 C ATOM 1079 C ILE A 155 6.058 8.644 -10.700 1.00 0.00 C ATOM 1080 O ILE A 155 5.816 7.683 -11.431 1.00 0.00 O ATOM 1081 CB ILE A 155 4.090 10.013 -10.009 1.00 0.00 C ATOM 1082 CG1 ILE A 155 2.921 10.073 -9.024 1.00 0.00 C ATOM 1083 CG2 ILE A 155 3.596 9.656 -11.404 1.00 0.00 C ATOM 1084 CD1 ILE A 155 2.087 11.328 -9.151 1.00 0.00 C ATOM 0 H ILE A 155 5.475 10.297 -7.928 1.00 0.00 H new ATOM 0 HA ILE A 155 4.629 8.089 -9.195 1.00 0.00 H new ATOM 0 HB ILE A 155 4.557 10.997 -10.050 1.00 0.00 H new ATOM 0 HG12 ILE A 155 2.281 9.204 -9.179 1.00 0.00 H new ATOM 0 HG13 ILE A 155 3.309 10.006 -8.008 1.00 0.00 H new ATOM 0 HG21 ILE A 155 2.855 10.388 -11.726 1.00 0.00 H new ATOM 0 HG22 ILE A 155 4.435 9.660 -12.099 1.00 0.00 H new ATOM 0 HG23 ILE A 155 3.143 8.665 -11.387 1.00 0.00 H new ATOM 0 HD11 ILE A 155 1.277 11.302 -8.422 1.00 0.00 H new ATOM 0 HD12 ILE A 155 2.713 12.201 -8.967 1.00 0.00 H new ATOM 0 HD13 ILE A 155 1.669 11.387 -10.156 1.00 0.00 H new ATOM 1096 N VAL A 156 7.117 9.430 -10.867 1.00 0.00 N ATOM 1097 CA VAL A 156 8.075 9.205 -11.943 1.00 0.00 C ATOM 1098 C VAL A 156 9.121 8.172 -11.539 1.00 0.00 C ATOM 1099 O VAL A 156 9.298 7.155 -12.211 1.00 0.00 O ATOM 1100 CB VAL A 156 8.787 10.510 -12.343 1.00 0.00 C ATOM 1101 CG1 VAL A 156 9.817 10.245 -13.430 1.00 0.00 C ATOM 1102 CG2 VAL A 156 7.775 11.550 -12.799 1.00 0.00 C ATOM 0 H VAL A 156 7.333 10.229 -10.270 1.00 0.00 H new ATOM 0 HA VAL A 156 7.510 8.832 -12.797 1.00 0.00 H new ATOM 0 HB VAL A 156 9.308 10.901 -11.470 1.00 0.00 H new ATOM 0 HG11 VAL A 156 10.310 11.179 -13.700 1.00 0.00 H new ATOM 0 HG12 VAL A 156 10.559 9.536 -13.063 1.00 0.00 H new ATOM 0 HG13 VAL A 156 9.321 9.830 -14.308 1.00 0.00 H new ATOM 0 HG21 VAL A 156 8.295 12.466 -13.078 1.00 0.00 H new ATOM 0 HG22 VAL A 156 7.224 11.169 -13.659 1.00 0.00 H new ATOM 0 HG23 VAL A 156 7.079 11.761 -11.987 1.00 0.00 H new ATOM 1112 N HIS A 157 9.813 8.438 -10.435 1.00 0.00 N ATOM 1113 CA HIS A 157 10.842 7.531 -9.940 1.00 0.00 C ATOM 1114 C HIS A 157 10.242 6.175 -9.579 1.00 0.00 C ATOM 1115 O HIS A 157 10.563 5.160 -10.197 1.00 0.00 O ATOM 1116 CB HIS A 157 11.540 8.134 -8.721 1.00 0.00 C ATOM 1117 CG HIS A 157 12.544 9.189 -9.066 1.00 0.00 C ATOM 1118 ND1 HIS A 157 13.878 8.917 -9.285 1.00 0.00 N ATOM 1119 CD2 HIS A 157 12.402 10.525 -9.234 1.00 0.00 C ATOM 1120 CE1 HIS A 157 14.514 10.039 -9.569 1.00 0.00 C ATOM 1121 NE2 HIS A 157 13.641 11.030 -9.545 1.00 0.00 N ATOM 0 H HIS A 157 9.679 9.274 -9.867 1.00 0.00 H new ATOM 0 HA HIS A 157 11.575 7.385 -10.733 1.00 0.00 H new ATOM 0 HB2 HIS A 157 10.789 8.562 -8.058 1.00 0.00 H new ATOM 0 HB3 HIS A 157 12.038 7.338 -8.167 1.00 0.00 H new ATOM 0 HD2 HIS A 157 11.485 11.089 -9.141 1.00 0.00 H new ATOM 0 HE1 HIS A 157 15.568 10.131 -9.784 1.00 0.00 H new ATOM 0 HE2 HIS A 157 13.853 12.011 -9.728 1.00 0.00 H new ATOM 1130 N MET A 158 9.372 6.167 -8.575 1.00 0.00 N ATOM 1131 CA MET A 158 8.727 4.935 -8.133 1.00 0.00 C ATOM 1132 C MET A 158 8.238 4.119 -9.325 1.00 0.00 C ATOM 1133 O MET A 158 8.463 2.912 -9.397 1.00 0.00 O ATOM 1134 CB MET A 158 7.556 5.253 -7.202 1.00 0.00 C ATOM 1135 CG MET A 158 7.986 5.706 -5.816 1.00 0.00 C ATOM 1136 SD MET A 158 8.410 4.327 -4.735 1.00 0.00 S ATOM 1137 CE MET A 158 10.099 4.007 -5.241 1.00 0.00 C ATOM 0 H MET A 158 9.097 6.998 -8.052 1.00 0.00 H new ATOM 0 HA MET A 158 9.464 4.344 -7.589 1.00 0.00 H new ATOM 0 HB2 MET A 158 6.943 6.032 -7.656 1.00 0.00 H new ATOM 0 HB3 MET A 158 6.927 4.368 -7.107 1.00 0.00 H new ATOM 0 HG2 MET A 158 8.846 6.370 -5.906 1.00 0.00 H new ATOM 0 HG3 MET A 158 7.182 6.285 -5.362 1.00 0.00 H new ATOM 0 HE1 MET A 158 10.157 3.027 -5.715 1.00 0.00 H new ATOM 0 HE2 MET A 158 10.418 4.772 -5.949 1.00 0.00 H new ATOM 0 HE3 MET A 158 10.751 4.027 -4.367 1.00 0.00 H new ATOM 1147 N GLY A 159 7.567 4.787 -10.259 1.00 0.00 N ATOM 1148 CA GLY A 159 7.056 4.107 -11.434 1.00 0.00 C ATOM 1149 C GLY A 159 8.002 3.037 -11.942 1.00 0.00 C ATOM 1150 O GLY A 159 9.001 3.340 -12.593 1.00 0.00 O ATOM 0 H GLY A 159 7.369 5.787 -10.222 1.00 0.00 H new ATOM 0 HA2 GLY A 159 6.093 3.654 -11.198 1.00 0.00 H new ATOM 0 HA3 GLY A 159 6.880 4.837 -12.224 1.00 0.00 H new ATOM 1154 N GLY A 160 7.687 1.780 -11.642 1.00 0.00 N ATOM 1155 CA GLY A 160 8.528 0.681 -12.079 1.00 0.00 C ATOM 1156 C GLY A 160 9.696 0.437 -11.144 1.00 0.00 C ATOM 1157 O GLY A 160 10.183 -0.687 -11.030 1.00 0.00 O ATOM 0 H GLY A 160 6.865 1.504 -11.105 1.00 0.00 H new ATOM 0 HA2 GLY A 160 7.928 -0.226 -12.150 1.00 0.00 H new ATOM 0 HA3 GLY A 160 8.906 0.892 -13.080 1.00 0.00 H new ATOM 1161 N GLN A 161 10.147 1.494 -10.476 1.00 0.00 N ATOM 1162 CA GLN A 161 11.268 1.389 -9.548 1.00 0.00 C ATOM 1163 C GLN A 161 11.241 0.054 -8.811 1.00 0.00 C ATOM 1164 O GLN A 161 10.178 -0.536 -8.614 1.00 0.00 O ATOM 1165 CB GLN A 161 11.234 2.541 -8.543 1.00 0.00 C ATOM 1166 CG GLN A 161 12.258 2.405 -7.428 1.00 0.00 C ATOM 1167 CD GLN A 161 13.685 2.517 -7.928 1.00 0.00 C ATOM 1168 OE1 GLN A 161 14.006 3.394 -8.731 1.00 0.00 O ATOM 1169 NE2 GLN A 161 14.550 1.627 -7.456 1.00 0.00 N ATOM 0 H GLN A 161 9.754 2.432 -10.560 1.00 0.00 H new ATOM 0 HA GLN A 161 12.191 1.446 -10.124 1.00 0.00 H new ATOM 0 HB2 GLN A 161 11.407 3.479 -9.071 1.00 0.00 H new ATOM 0 HB3 GLN A 161 10.238 2.601 -8.105 1.00 0.00 H new ATOM 0 HG2 GLN A 161 12.078 3.176 -6.679 1.00 0.00 H new ATOM 0 HG3 GLN A 161 12.125 1.443 -6.933 1.00 0.00 H new ATOM 0 HE21 GLN A 161 14.240 0.917 -6.792 1.00 0.00 H new ATOM 0 HE22 GLN A 161 15.524 1.653 -7.757 1.00 0.00 H new ATOM 1178 N TRP A 162 12.415 -0.416 -8.407 1.00 0.00 N ATOM 1179 CA TRP A 162 12.526 -1.682 -7.691 1.00 0.00 C ATOM 1180 C TRP A 162 12.643 -1.450 -6.189 1.00 0.00 C ATOM 1181 O TRP A 162 13.744 -1.293 -5.659 1.00 0.00 O ATOM 1182 CB TRP A 162 13.736 -2.471 -8.194 1.00 0.00 C ATOM 1183 CG TRP A 162 13.546 -3.040 -9.568 1.00 0.00 C ATOM 1184 CD1 TRP A 162 13.803 -2.416 -10.755 1.00 0.00 C ATOM 1185 CD2 TRP A 162 13.055 -4.344 -9.895 1.00 0.00 C ATOM 1186 NE1 TRP A 162 13.503 -3.255 -11.801 1.00 0.00 N ATOM 1187 CE2 TRP A 162 13.043 -4.444 -11.300 1.00 0.00 C ATOM 1188 CE3 TRP A 162 12.627 -5.438 -9.138 1.00 0.00 C ATOM 1189 CZ2 TRP A 162 12.618 -5.594 -11.960 1.00 0.00 C ATOM 1190 CZ3 TRP A 162 12.206 -6.578 -9.795 1.00 0.00 C ATOM 1191 CH2 TRP A 162 12.204 -6.650 -11.195 1.00 0.00 C ATOM 0 H TRP A 162 13.304 0.060 -8.563 1.00 0.00 H new ATOM 0 HA TRP A 162 11.621 -2.259 -7.880 1.00 0.00 H new ATOM 0 HB2 TRP A 162 14.610 -1.820 -8.196 1.00 0.00 H new ATOM 0 HB3 TRP A 162 13.946 -3.283 -7.498 1.00 0.00 H new ATOM 0 HD1 TRP A 162 14.186 -1.411 -10.857 1.00 0.00 H new ATOM 0 HE1 TRP A 162 13.606 -3.029 -12.790 1.00 0.00 H new ATOM 0 HE3 TRP A 162 12.625 -5.393 -8.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 162 12.615 -5.650 -13.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 162 11.872 -7.429 -9.220 1.00 0.00 H new ATOM 0 HH2 TRP A 162 11.869 -7.556 -11.679 1.00 0.00 H new ATOM 1202 N LEU A 163 11.503 -1.429 -5.507 1.00 0.00 N ATOM 1203 CA LEU A 163 11.478 -1.216 -4.064 1.00 0.00 C ATOM 1204 C LEU A 163 11.648 -2.535 -3.316 1.00 0.00 C ATOM 1205 O LEU A 163 12.684 -2.783 -2.702 1.00 0.00 O ATOM 1206 CB LEU A 163 10.167 -0.547 -3.650 1.00 0.00 C ATOM 1207 CG LEU A 163 10.135 0.056 -2.245 1.00 0.00 C ATOM 1208 CD1 LEU A 163 8.981 1.038 -2.112 1.00 0.00 C ATOM 1209 CD2 LEU A 163 10.030 -1.041 -1.196 1.00 0.00 C ATOM 0 H LEU A 163 10.584 -1.557 -5.930 1.00 0.00 H new ATOM 0 HA LEU A 163 12.310 -0.562 -3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 163 9.943 0.242 -4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 163 9.367 -1.283 -3.726 1.00 0.00 H new ATOM 0 HG LEU A 163 11.066 0.598 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 163 8.974 1.457 -1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 163 9.101 1.841 -2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 163 8.040 0.520 -2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 163 10.009 -0.593 -0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 163 9.115 -1.612 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 163 10.891 -1.705 -1.276 1.00 0.00 H new ATOM 1221 N GLY A 164 10.622 -3.379 -3.375 1.00 0.00 N ATOM 1222 CA GLY A 164 10.678 -4.663 -2.700 1.00 0.00 C ATOM 1223 C GLY A 164 10.499 -5.827 -3.654 1.00 0.00 C ATOM 1224 O GLY A 164 9.460 -5.955 -4.300 1.00 0.00 O ATOM 0 H GLY A 164 9.754 -3.197 -3.878 1.00 0.00 H new ATOM 0 HA2 GLY A 164 11.636 -4.760 -2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 164 9.903 -4.702 -1.935 1.00 0.00 H new ATOM 1228 N GLY A 165 11.516 -6.678 -3.745 1.00 0.00 N ATOM 1229 CA GLY A 165 11.447 -7.825 -4.631 1.00 0.00 C ATOM 1230 C GLY A 165 11.099 -7.438 -6.054 1.00 0.00 C ATOM 1231 O GLY A 165 11.981 -7.124 -6.853 1.00 0.00 O ATOM 0 H GLY A 165 12.387 -6.594 -3.221 1.00 0.00 H new ATOM 0 HA2 GLY A 165 12.405 -8.344 -4.623 1.00 0.00 H new ATOM 0 HA3 GLY A 165 10.701 -8.526 -4.256 1.00 0.00 H new ATOM 1235 N ARG A 166 9.809 -7.463 -6.373 1.00 0.00 N ATOM 1236 CA ARG A 166 9.346 -7.115 -7.711 1.00 0.00 C ATOM 1237 C ARG A 166 9.298 -5.600 -7.893 1.00 0.00 C ATOM 1238 O ARG A 166 9.653 -4.846 -6.988 1.00 0.00 O ATOM 1239 CB ARG A 166 7.962 -7.714 -7.967 1.00 0.00 C ATOM 1240 CG ARG A 166 7.923 -9.229 -7.850 1.00 0.00 C ATOM 1241 CD ARG A 166 6.559 -9.717 -7.386 1.00 0.00 C ATOM 1242 NE ARG A 166 6.345 -11.126 -7.704 1.00 0.00 N ATOM 1243 CZ ARG A 166 6.137 -11.578 -8.935 1.00 0.00 C ATOM 1244 NH1 ARG A 166 6.115 -10.737 -9.960 1.00 0.00 N ATOM 1245 NH2 ARG A 166 5.950 -12.875 -9.144 1.00 0.00 N ATOM 0 H ARG A 166 9.066 -7.721 -5.723 1.00 0.00 H new ATOM 0 HA ARG A 166 10.052 -7.528 -8.431 1.00 0.00 H new ATOM 0 HB2 ARG A 166 7.253 -7.285 -7.259 1.00 0.00 H new ATOM 0 HB3 ARG A 166 7.630 -7.426 -8.964 1.00 0.00 H new ATOM 0 HG2 ARG A 166 8.162 -9.676 -8.815 1.00 0.00 H new ATOM 0 HG3 ARG A 166 8.688 -9.561 -7.148 1.00 0.00 H new ATOM 0 HD2 ARG A 166 6.468 -9.570 -6.310 1.00 0.00 H new ATOM 0 HD3 ARG A 166 5.780 -9.117 -7.856 1.00 0.00 H new ATOM 0 HE ARG A 166 6.356 -11.800 -6.938 1.00 0.00 H new ATOM 0 HH11 ARG A 166 6.258 -9.739 -9.804 1.00 0.00 H new ATOM 0 HH12 ARG A 166 5.955 -11.088 -10.904 1.00 0.00 H new ATOM 0 HH21 ARG A 166 5.966 -13.526 -8.359 1.00 0.00 H new ATOM 0 HH22 ARG A 166 5.790 -13.221 -10.090 1.00 0.00 H new ATOM 1259 N GLN A 167 8.857 -5.164 -9.068 1.00 0.00 N ATOM 1260 CA GLN A 167 8.764 -3.740 -9.369 1.00 0.00 C ATOM 1261 C GLN A 167 7.456 -3.158 -8.844 1.00 0.00 C ATOM 1262 O GLN A 167 6.640 -3.869 -8.258 1.00 0.00 O ATOM 1263 CB GLN A 167 8.872 -3.507 -10.877 1.00 0.00 C ATOM 1264 CG GLN A 167 10.270 -3.735 -11.429 1.00 0.00 C ATOM 1265 CD GLN A 167 10.421 -3.242 -12.855 1.00 0.00 C ATOM 1266 OE1 GLN A 167 11.232 -2.360 -13.136 1.00 0.00 O ATOM 1267 NE2 GLN A 167 9.638 -3.812 -13.764 1.00 0.00 N ATOM 0 H GLN A 167 8.558 -5.776 -9.827 1.00 0.00 H new ATOM 0 HA GLN A 167 9.591 -3.234 -8.871 1.00 0.00 H new ATOM 0 HB2 GLN A 167 8.175 -4.170 -11.390 1.00 0.00 H new ATOM 0 HB3 GLN A 167 8.564 -2.486 -11.102 1.00 0.00 H new ATOM 0 HG2 GLN A 167 10.995 -3.226 -10.794 1.00 0.00 H new ATOM 0 HG3 GLN A 167 10.503 -4.799 -11.390 1.00 0.00 H new ATOM 0 HE21 GLN A 167 8.980 -4.540 -13.486 1.00 0.00 H new ATOM 0 HE22 GLN A 167 9.695 -3.522 -14.740 1.00 0.00 H new ATOM 1276 N ILE A 168 7.264 -1.861 -9.059 1.00 0.00 N ATOM 1277 CA ILE A 168 6.054 -1.183 -8.608 1.00 0.00 C ATOM 1278 C ILE A 168 5.521 -0.239 -9.680 1.00 0.00 C ATOM 1279 O ILE A 168 6.174 -0.008 -10.698 1.00 0.00 O ATOM 1280 CB ILE A 168 6.305 -0.385 -7.315 1.00 0.00 C ATOM 1281 CG1 ILE A 168 7.477 0.580 -7.504 1.00 0.00 C ATOM 1282 CG2 ILE A 168 6.572 -1.330 -6.153 1.00 0.00 C ATOM 1283 CD1 ILE A 168 7.525 1.682 -6.469 1.00 0.00 C ATOM 0 H ILE A 168 7.930 -1.258 -9.542 1.00 0.00 H new ATOM 0 HA ILE A 168 5.313 -1.958 -8.409 1.00 0.00 H new ATOM 0 HB ILE A 168 5.413 0.198 -7.087 1.00 0.00 H new ATOM 0 HG12 ILE A 168 8.410 0.017 -7.467 1.00 0.00 H new ATOM 0 HG13 ILE A 168 7.413 1.027 -8.496 1.00 0.00 H new ATOM 0 HG21 ILE A 168 6.748 -0.751 -5.246 1.00 0.00 H new ATOM 0 HG22 ILE A 168 5.709 -1.980 -6.007 1.00 0.00 H new ATOM 0 HG23 ILE A 168 7.451 -1.937 -6.372 1.00 0.00 H new ATOM 0 HD11 ILE A 168 8.381 2.328 -6.665 1.00 0.00 H new ATOM 0 HD12 ILE A 168 6.608 2.269 -6.520 1.00 0.00 H new ATOM 0 HD13 ILE A 168 7.621 1.244 -5.475 1.00 0.00 H new ATOM 1295 N ARG A 169 4.333 0.306 -9.443 1.00 0.00 N ATOM 1296 CA ARG A 169 3.712 1.226 -10.388 1.00 0.00 C ATOM 1297 C ARG A 169 3.142 2.444 -9.666 1.00 0.00 C ATOM 1298 O ARG A 169 2.912 2.412 -8.457 1.00 0.00 O ATOM 1299 CB ARG A 169 2.603 0.519 -11.169 1.00 0.00 C ATOM 1300 CG ARG A 169 2.161 1.269 -12.415 1.00 0.00 C ATOM 1301 CD ARG A 169 1.130 0.478 -13.204 1.00 0.00 C ATOM 1302 NE ARG A 169 0.995 0.968 -14.574 1.00 0.00 N ATOM 1303 CZ ARG A 169 0.463 0.256 -15.560 1.00 0.00 C ATOM 1304 NH1 ARG A 169 0.017 -0.972 -15.331 1.00 0.00 N ATOM 1305 NH2 ARG A 169 0.375 0.771 -16.780 1.00 0.00 N ATOM 0 H ARG A 169 3.781 0.126 -8.604 1.00 0.00 H new ATOM 0 HA ARG A 169 4.479 1.563 -11.085 1.00 0.00 H new ATOM 0 HB2 ARG A 169 2.949 -0.474 -11.457 1.00 0.00 H new ATOM 0 HB3 ARG A 169 1.742 0.379 -10.515 1.00 0.00 H new ATOM 0 HG2 ARG A 169 1.741 2.234 -12.131 1.00 0.00 H new ATOM 0 HG3 ARG A 169 3.027 1.471 -13.046 1.00 0.00 H new ATOM 0 HD2 ARG A 169 1.416 -0.574 -13.222 1.00 0.00 H new ATOM 0 HD3 ARG A 169 0.165 0.538 -12.701 1.00 0.00 H new ATOM 0 HE ARG A 169 1.328 1.909 -14.784 1.00 0.00 H new ATOM 0 HH11 ARG A 169 0.082 -1.372 -14.395 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -0.391 -1.516 -16.091 1.00 0.00 H new ATOM 0 HH21 ARG A 169 0.716 1.715 -16.961 1.00 0.00 H new ATOM 0 HH22 ARG A 169 -0.034 0.223 -17.537 1.00 0.00 H new ATOM 1319 N THR A 170 2.918 3.519 -10.416 1.00 0.00 N ATOM 1320 CA THR A 170 2.378 4.748 -9.849 1.00 0.00 C ATOM 1321 C THR A 170 1.455 5.451 -10.838 1.00 0.00 C ATOM 1322 O THR A 170 1.608 5.311 -12.051 1.00 0.00 O ATOM 1323 CB THR A 170 3.501 5.716 -9.434 1.00 0.00 C ATOM 1324 OG1 THR A 170 4.469 5.823 -10.484 1.00 0.00 O ATOM 1325 CG2 THR A 170 4.180 5.242 -8.158 1.00 0.00 C ATOM 0 H THR A 170 3.103 3.563 -11.418 1.00 0.00 H new ATOM 0 HA THR A 170 1.808 4.464 -8.964 1.00 0.00 H new ATOM 0 HB THR A 170 3.057 6.694 -9.249 1.00 0.00 H new ATOM 0 HG1 THR A 170 4.461 6.734 -10.845 1.00 0.00 H new ATOM 0 HG21 THR A 170 4.970 5.942 -7.885 1.00 0.00 H new ATOM 0 HG22 THR A 170 3.447 5.190 -7.353 1.00 0.00 H new ATOM 0 HG23 THR A 170 4.611 4.254 -8.321 1.00 0.00 H new ATOM 1333 N ASN A 171 0.499 6.209 -10.312 1.00 0.00 N ATOM 1334 CA ASN A 171 -0.448 6.935 -11.150 1.00 0.00 C ATOM 1335 C ASN A 171 -1.324 7.858 -10.308 1.00 0.00 C ATOM 1336 O ASN A 171 -1.603 7.573 -9.143 1.00 0.00 O ATOM 1337 CB ASN A 171 -1.326 5.955 -11.931 1.00 0.00 C ATOM 1338 CG ASN A 171 -1.816 4.806 -11.072 1.00 0.00 C ATOM 1339 OD1 ASN A 171 -2.764 4.954 -10.300 1.00 0.00 O ATOM 1340 ND2 ASN A 171 -1.170 3.653 -11.201 1.00 0.00 N ATOM 0 H ASN A 171 0.359 6.337 -9.310 1.00 0.00 H new ATOM 0 HA ASN A 171 0.121 7.544 -11.853 1.00 0.00 H new ATOM 0 HB2 ASN A 171 -2.183 6.488 -12.343 1.00 0.00 H new ATOM 0 HB3 ASN A 171 -0.761 5.559 -12.775 1.00 0.00 H new ATOM 0 HD21 ASN A 171 -1.454 2.845 -10.648 1.00 0.00 H new ATOM 0 HD22 ASN A 171 -0.390 3.576 -11.853 1.00 0.00 H new ATOM 1347 N TRP A 172 -1.753 8.964 -10.904 1.00 0.00 N ATOM 1348 CA TRP A 172 -2.598 9.929 -10.209 1.00 0.00 C ATOM 1349 C TRP A 172 -3.985 9.351 -9.950 1.00 0.00 C ATOM 1350 O TRP A 172 -4.603 8.773 -10.843 1.00 0.00 O ATOM 1351 CB TRP A 172 -2.713 11.218 -11.025 1.00 0.00 C ATOM 1352 CG TRP A 172 -1.426 11.982 -11.112 1.00 0.00 C ATOM 1353 CD1 TRP A 172 -0.527 11.957 -12.139 1.00 0.00 C ATOM 1354 CD2 TRP A 172 -0.896 12.882 -10.133 1.00 0.00 C ATOM 1355 NE1 TRP A 172 0.531 12.788 -11.858 1.00 0.00 N ATOM 1356 CE2 TRP A 172 0.328 13.368 -10.634 1.00 0.00 C ATOM 1357 CE3 TRP A 172 -1.337 13.327 -8.884 1.00 0.00 C ATOM 1358 CZ2 TRP A 172 1.114 14.274 -9.926 1.00 0.00 C ATOM 1359 CZ3 TRP A 172 -0.556 14.226 -8.184 1.00 0.00 C ATOM 1360 CH2 TRP A 172 0.658 14.692 -8.706 1.00 0.00 C ATOM 0 H TRP A 172 -1.530 9.215 -11.867 1.00 0.00 H new ATOM 0 HA TRP A 172 -2.134 10.155 -9.249 1.00 0.00 H new ATOM 0 HB2 TRP A 172 -3.051 10.973 -12.032 1.00 0.00 H new ATOM 0 HB3 TRP A 172 -3.476 11.855 -10.579 1.00 0.00 H new ATOM 0 HD1 TRP A 172 -0.632 11.370 -13.040 1.00 0.00 H new ATOM 0 HE1 TRP A 172 1.337 12.947 -12.463 1.00 0.00 H new ATOM 0 HE3 TRP A 172 -2.272 12.974 -8.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 2.050 14.634 -10.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 -0.887 14.576 -7.217 1.00 0.00 H new ATOM 0 HH2 TRP A 172 1.245 15.395 -8.134 1.00 0.00 H new ATOM 1371 N ALA A 173 -4.468 9.512 -8.723 1.00 0.00 N ATOM 1372 CA ALA A 173 -5.784 9.008 -8.348 1.00 0.00 C ATOM 1373 C ALA A 173 -6.876 10.015 -8.693 1.00 0.00 C ATOM 1374 O ALA A 173 -7.591 10.498 -7.814 1.00 0.00 O ATOM 1375 CB ALA A 173 -5.819 8.677 -6.863 1.00 0.00 C ATOM 0 H ALA A 173 -3.968 9.987 -7.971 1.00 0.00 H new ATOM 0 HA ALA A 173 -5.973 8.097 -8.917 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -6.807 8.302 -6.597 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -5.070 7.916 -6.642 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -5.604 9.576 -6.285 1.00 0.00 H new