USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=13 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 158 MET CE :methyl -126:sc= -1.54 (180deg=-4.27!) USER MOD Set 1.2: A 161 GLN : amide:sc= -4.46! C(o=-6!,f=-13!) USER MOD Set 2.1: A 98 HIS : no HD1:sc= 1.02 K(o=2.2,f=-7!) USER MOD Set 2.2: A 144 SER OG : rot -131:sc= 1.18 USER MOD Single : A 96 HIS : no HD1:sc= -2.53 X(o=-2.5,f=-2.7!) USER MOD Single : A 105 SER OG : rot -113:sc= -0.413 USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.494 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot -32:sc= 0.119 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 MET CE :methyl -154:sc= -0.148 (180deg=-0.767) USER MOD Single : A 134 THR OG1 : rot 180:sc= -0.0652 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 SER OG : rot 180:sc= -0.072 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 TYR OH : rot 180:sc= -0.977 USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 ASN : amide:sc= -5.85! C(o=-5.8!,f=-6!) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 ASN : amide:sc= -0.104 K(o=-0.1,f=-2!) USER MOD Single : A 157 HIS : no HD1:sc= -0.149 X(o=-0.15,f=0.023) USER MOD Single : A 167 GLN : amide:sc= -1.68! C(o=-1.7!,f=-3.4!) USER MOD Single : A 170 THR OG1 : rot 124:sc= 0.868 USER MOD Single : A 171 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 178 N HIS A 96 -4.335 17.617 0.072 1.00 0.00 N ATOM 179 CA HIS A 96 -3.091 17.002 -0.376 1.00 0.00 C ATOM 180 C HIS A 96 -3.298 16.248 -1.686 1.00 0.00 C ATOM 181 O HIS A 96 -4.422 16.129 -2.174 1.00 0.00 O ATOM 182 CB HIS A 96 -2.554 16.050 0.694 1.00 0.00 C ATOM 183 CG HIS A 96 -1.862 16.749 1.824 1.00 0.00 C ATOM 184 ND1 HIS A 96 -1.401 16.092 2.945 1.00 0.00 N ATOM 185 CD2 HIS A 96 -1.552 18.055 2.001 1.00 0.00 C ATOM 186 CE1 HIS A 96 -0.839 16.964 3.764 1.00 0.00 C ATOM 187 NE2 HIS A 96 -0.917 18.162 3.214 1.00 0.00 N ATOM 0 HA HIS A 96 -2.363 17.795 -0.545 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -3.380 15.462 1.093 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -1.859 15.350 0.230 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -1.765 18.862 1.316 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -0.392 16.736 4.720 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -0.563 19.027 3.624 1.00 0.00 H new ATOM 196 N PHE A 97 -2.207 15.741 -2.250 1.00 0.00 N ATOM 197 CA PHE A 97 -2.268 15.001 -3.505 1.00 0.00 C ATOM 198 C PHE A 97 -2.115 13.502 -3.260 1.00 0.00 C ATOM 199 O PHE A 97 -1.111 13.052 -2.707 1.00 0.00 O ATOM 200 CB PHE A 97 -1.179 15.487 -4.463 1.00 0.00 C ATOM 201 CG PHE A 97 -1.412 16.878 -4.979 1.00 0.00 C ATOM 202 CD1 PHE A 97 -1.154 17.980 -4.180 1.00 0.00 C ATOM 203 CD2 PHE A 97 -1.889 17.083 -6.264 1.00 0.00 C ATOM 204 CE1 PHE A 97 -1.368 19.261 -4.653 1.00 0.00 C ATOM 205 CE2 PHE A 97 -2.105 18.362 -6.742 1.00 0.00 C ATOM 206 CZ PHE A 97 -1.843 19.452 -5.936 1.00 0.00 C ATOM 0 H PHE A 97 -1.270 15.829 -1.858 1.00 0.00 H new ATOM 0 HA PHE A 97 -3.244 15.180 -3.956 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.216 15.454 -3.953 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.116 14.801 -5.307 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.782 17.837 -3.176 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.094 16.234 -6.899 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -1.164 20.112 -4.020 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.478 18.508 -7.745 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.009 20.452 -6.308 1.00 0.00 H new ATOM 216 N HIS A 98 -3.117 12.735 -3.676 1.00 0.00 N ATOM 217 CA HIS A 98 -3.094 11.287 -3.503 1.00 0.00 C ATOM 218 C HIS A 98 -2.435 10.606 -4.699 1.00 0.00 C ATOM 219 O HIS A 98 -2.723 10.935 -5.849 1.00 0.00 O ATOM 220 CB HIS A 98 -4.514 10.752 -3.316 1.00 0.00 C ATOM 221 CG HIS A 98 -5.402 11.670 -2.533 1.00 0.00 C ATOM 222 ND1 HIS A 98 -5.045 12.202 -1.312 1.00 0.00 N ATOM 223 CD2 HIS A 98 -6.638 12.151 -2.805 1.00 0.00 C ATOM 224 CE1 HIS A 98 -6.024 12.969 -0.866 1.00 0.00 C ATOM 225 NE2 HIS A 98 -7.002 12.955 -1.754 1.00 0.00 N ATOM 0 H HIS A 98 -3.955 13.092 -4.135 1.00 0.00 H new ATOM 0 HA HIS A 98 -2.508 11.062 -2.612 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -4.959 10.577 -4.295 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -4.466 9.787 -2.811 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -7.228 11.941 -3.685 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -6.025 13.515 0.066 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -7.884 13.460 -1.672 1.00 0.00 H new ATOM 234 N VAL A 99 -1.547 9.657 -4.418 1.00 0.00 N ATOM 235 CA VAL A 99 -0.847 8.931 -5.470 1.00 0.00 C ATOM 236 C VAL A 99 -1.167 7.441 -5.417 1.00 0.00 C ATOM 237 O VAL A 99 -0.941 6.783 -4.401 1.00 0.00 O ATOM 238 CB VAL A 99 0.678 9.121 -5.365 1.00 0.00 C ATOM 239 CG1 VAL A 99 1.392 8.328 -6.449 1.00 0.00 C ATOM 240 CG2 VAL A 99 1.038 10.597 -5.448 1.00 0.00 C ATOM 0 H VAL A 99 -1.296 9.374 -3.471 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.192 9.340 -6.419 1.00 0.00 H new ATOM 0 HB VAL A 99 1.007 8.744 -4.397 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.468 8.475 -6.358 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.160 7.269 -6.338 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.060 8.671 -7.429 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.119 10.713 -5.372 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.696 11.002 -6.400 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.557 11.135 -4.631 1.00 0.00 H new ATOM 250 N PHE A 100 -1.695 6.915 -6.517 1.00 0.00 N ATOM 251 CA PHE A 100 -2.048 5.502 -6.596 1.00 0.00 C ATOM 252 C PHE A 100 -0.837 4.661 -6.989 1.00 0.00 C ATOM 253 O PHE A 100 -0.027 5.069 -7.821 1.00 0.00 O ATOM 254 CB PHE A 100 -3.178 5.293 -7.605 1.00 0.00 C ATOM 255 CG PHE A 100 -3.434 3.848 -7.927 1.00 0.00 C ATOM 256 CD1 PHE A 100 -4.328 3.104 -7.174 1.00 0.00 C ATOM 257 CD2 PHE A 100 -2.779 3.234 -8.983 1.00 0.00 C ATOM 258 CE1 PHE A 100 -4.564 1.775 -7.468 1.00 0.00 C ATOM 259 CE2 PHE A 100 -3.012 1.904 -9.282 1.00 0.00 C ATOM 260 CZ PHE A 100 -3.906 1.174 -8.524 1.00 0.00 C ATOM 0 H PHE A 100 -1.888 7.446 -7.366 1.00 0.00 H new ATOM 0 HA PHE A 100 -2.387 5.181 -5.611 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -4.092 5.737 -7.212 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.936 5.825 -8.525 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -4.846 3.568 -6.348 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -2.079 3.801 -9.579 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -5.263 1.206 -6.873 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -2.495 1.437 -10.107 1.00 0.00 H new ATOM 0 HZ PHE A 100 -4.091 0.135 -8.756 1.00 0.00 H new ATOM 270 N VAL A 101 -0.721 3.483 -6.384 1.00 0.00 N ATOM 271 CA VAL A 101 0.390 2.583 -6.670 1.00 0.00 C ATOM 272 C VAL A 101 -0.113 1.202 -7.076 1.00 0.00 C ATOM 273 O VAL A 101 -1.108 0.711 -6.545 1.00 0.00 O ATOM 274 CB VAL A 101 1.324 2.440 -5.454 1.00 0.00 C ATOM 275 CG1 VAL A 101 2.604 1.718 -5.846 1.00 0.00 C ATOM 276 CG2 VAL A 101 1.633 3.804 -4.856 1.00 0.00 C ATOM 0 H VAL A 101 -1.383 3.130 -5.693 1.00 0.00 H new ATOM 0 HA VAL A 101 0.948 3.021 -7.497 1.00 0.00 H new ATOM 0 HB VAL A 101 0.816 1.843 -4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.252 1.626 -4.974 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.361 0.725 -6.223 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.118 2.285 -6.622 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.294 3.684 -3.998 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.121 4.428 -5.605 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.706 4.279 -4.536 1.00 0.00 H new ATOM 286 N GLY A 102 0.584 0.579 -8.022 1.00 0.00 N ATOM 287 CA GLY A 102 0.193 -0.740 -8.483 1.00 0.00 C ATOM 288 C GLY A 102 1.359 -1.709 -8.523 1.00 0.00 C ATOM 289 O GLY A 102 2.518 -1.295 -8.563 1.00 0.00 O ATOM 0 H GLY A 102 1.412 0.964 -8.477 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.582 -1.136 -7.827 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.243 -0.659 -9.479 1.00 0.00 H new ATOM 293 N ASP A 103 1.052 -3.002 -8.511 1.00 0.00 N ATOM 294 CA ASP A 103 2.083 -4.032 -8.546 1.00 0.00 C ATOM 295 C ASP A 103 2.890 -4.038 -7.251 1.00 0.00 C ATOM 296 O ASP A 103 4.089 -4.317 -7.255 1.00 0.00 O ATOM 297 CB ASP A 103 3.014 -3.813 -9.740 1.00 0.00 C ATOM 298 CG ASP A 103 3.582 -5.112 -10.277 1.00 0.00 C ATOM 299 OD1 ASP A 103 3.746 -6.061 -9.483 1.00 0.00 O ATOM 300 OD2 ASP A 103 3.865 -5.178 -11.492 1.00 0.00 O ATOM 0 H ASP A 103 0.098 -3.361 -8.477 1.00 0.00 H new ATOM 0 HA ASP A 103 1.591 -4.999 -8.651 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.468 -3.303 -10.534 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.832 -3.157 -9.443 1.00 0.00 H new ATOM 305 N LEU A 104 2.224 -3.727 -6.144 1.00 0.00 N ATOM 306 CA LEU A 104 2.879 -3.696 -4.841 1.00 0.00 C ATOM 307 C LEU A 104 3.224 -5.105 -4.371 1.00 0.00 C ATOM 308 O LEU A 104 2.372 -5.821 -3.844 1.00 0.00 O ATOM 309 CB LEU A 104 1.978 -3.009 -3.812 1.00 0.00 C ATOM 310 CG LEU A 104 1.974 -1.480 -3.838 1.00 0.00 C ATOM 311 CD1 LEU A 104 0.848 -0.935 -2.973 1.00 0.00 C ATOM 312 CD2 LEU A 104 3.317 -0.936 -3.374 1.00 0.00 C ATOM 0 H LEU A 104 1.231 -3.493 -6.123 1.00 0.00 H new ATOM 0 HA LEU A 104 3.805 -3.130 -4.941 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.956 -3.358 -3.963 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.282 -3.335 -2.817 1.00 0.00 H new ATOM 0 HG LEU A 104 1.807 -1.153 -4.864 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.861 0.155 -3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.108 -1.298 -3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.984 -1.271 -1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.296 0.154 -3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.514 -1.272 -2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.104 -1.299 -4.034 1.00 0.00 H new ATOM 324 N SER A 105 4.480 -5.496 -4.562 1.00 0.00 N ATOM 325 CA SER A 105 4.938 -6.820 -4.159 1.00 0.00 C ATOM 326 C SER A 105 4.258 -7.260 -2.867 1.00 0.00 C ATOM 327 O SER A 105 3.846 -6.443 -2.043 1.00 0.00 O ATOM 328 CB SER A 105 6.457 -6.823 -3.977 1.00 0.00 C ATOM 329 OG SER A 105 6.852 -7.775 -3.003 1.00 0.00 O ATOM 0 H SER A 105 5.198 -4.914 -4.993 1.00 0.00 H new ATOM 0 HA SER A 105 4.672 -7.525 -4.946 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.940 -7.049 -4.928 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.793 -5.830 -3.677 1.00 0.00 H new ATOM 0 HG SER A 105 7.218 -7.311 -2.222 1.00 0.00 H new ATOM 335 N PRO A 106 4.138 -8.583 -2.683 1.00 0.00 N ATOM 336 CA PRO A 106 3.509 -9.164 -1.493 1.00 0.00 C ATOM 337 C PRO A 106 4.352 -8.968 -0.238 1.00 0.00 C ATOM 338 O PRO A 106 3.849 -9.071 0.880 1.00 0.00 O ATOM 339 CB PRO A 106 3.401 -10.651 -1.838 1.00 0.00 C ATOM 340 CG PRO A 106 4.484 -10.888 -2.833 1.00 0.00 C ATOM 341 CD PRO A 106 4.606 -9.615 -3.624 1.00 0.00 C ATOM 0 HA PRO A 106 2.551 -8.695 -1.268 1.00 0.00 H new ATOM 0 HB2 PRO A 106 3.533 -11.273 -0.953 1.00 0.00 H new ATOM 0 HB3 PRO A 106 2.422 -10.891 -2.253 1.00 0.00 H new ATOM 0 HG2 PRO A 106 5.424 -11.130 -2.337 1.00 0.00 H new ATOM 0 HG3 PRO A 106 4.240 -11.729 -3.482 1.00 0.00 H new ATOM 0 HD2 PRO A 106 5.634 -9.435 -3.940 1.00 0.00 H new ATOM 0 HD3 PRO A 106 3.996 -9.643 -4.527 1.00 0.00 H new ATOM 349 N GLU A 107 5.637 -8.685 -0.432 1.00 0.00 N ATOM 350 CA GLU A 107 6.549 -8.475 0.686 1.00 0.00 C ATOM 351 C GLU A 107 6.539 -7.015 1.130 1.00 0.00 C ATOM 352 O GLU A 107 7.197 -6.647 2.104 1.00 0.00 O ATOM 353 CB GLU A 107 7.969 -8.892 0.299 1.00 0.00 C ATOM 354 CG GLU A 107 9.042 -8.319 1.210 1.00 0.00 C ATOM 355 CD GLU A 107 10.363 -9.052 1.090 1.00 0.00 C ATOM 356 OE1 GLU A 107 10.484 -10.154 1.666 1.00 0.00 O ATOM 357 OE2 GLU A 107 11.276 -8.526 0.420 1.00 0.00 O ATOM 0 H GLU A 107 6.069 -8.596 -1.352 1.00 0.00 H new ATOM 0 HA GLU A 107 6.211 -9.092 1.519 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.036 -9.980 0.313 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.166 -8.574 -0.725 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.192 -7.266 0.970 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.698 -8.365 2.243 1.00 0.00 H new ATOM 364 N ILE A 108 5.788 -6.189 0.410 1.00 0.00 N ATOM 365 CA ILE A 108 5.692 -4.770 0.729 1.00 0.00 C ATOM 366 C ILE A 108 4.931 -4.551 2.032 1.00 0.00 C ATOM 367 O ILE A 108 3.984 -5.275 2.342 1.00 0.00 O ATOM 368 CB ILE A 108 4.994 -3.986 -0.398 1.00 0.00 C ATOM 369 CG1 ILE A 108 5.699 -4.234 -1.733 1.00 0.00 C ATOM 370 CG2 ILE A 108 4.971 -2.500 -0.072 1.00 0.00 C ATOM 371 CD1 ILE A 108 7.049 -3.559 -1.838 1.00 0.00 C ATOM 0 H ILE A 108 5.237 -6.478 -0.398 1.00 0.00 H new ATOM 0 HA ILE A 108 6.712 -4.401 0.839 1.00 0.00 H new ATOM 0 HB ILE A 108 3.965 -4.336 -0.482 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.827 -5.307 -1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.061 -3.880 -2.543 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.475 -1.958 -0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.429 -2.340 0.860 1.00 0.00 H new ATOM 0 HG23 ILE A 108 5.993 -2.135 0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.491 -3.778 -2.810 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.926 -2.481 -1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.704 -3.931 -1.050 1.00 0.00 H new ATOM 383 N THR A 109 5.350 -3.545 2.794 1.00 0.00 N ATOM 384 CA THR A 109 4.708 -3.229 4.064 1.00 0.00 C ATOM 385 C THR A 109 4.468 -1.730 4.200 1.00 0.00 C ATOM 386 O THR A 109 5.233 -0.917 3.678 1.00 0.00 O ATOM 387 CB THR A 109 5.554 -3.713 5.257 1.00 0.00 C ATOM 388 OG1 THR A 109 6.871 -3.154 5.182 1.00 0.00 O ATOM 389 CG2 THR A 109 5.643 -5.231 5.277 1.00 0.00 C ATOM 0 H THR A 109 6.131 -2.935 2.553 1.00 0.00 H new ATOM 0 HA THR A 109 3.750 -3.750 4.073 1.00 0.00 H new ATOM 0 HB THR A 109 5.070 -3.381 6.176 1.00 0.00 H new ATOM 0 HG1 THR A 109 7.402 -3.465 5.944 1.00 0.00 H new ATOM 0 HG21 THR A 109 6.245 -5.549 6.128 1.00 0.00 H new ATOM 0 HG22 THR A 109 4.642 -5.653 5.363 1.00 0.00 H new ATOM 0 HG23 THR A 109 6.106 -5.581 4.354 1.00 0.00 H new ATOM 397 N THR A 110 3.401 -1.367 4.906 1.00 0.00 N ATOM 398 CA THR A 110 3.061 0.035 5.111 1.00 0.00 C ATOM 399 C THR A 110 4.260 0.823 5.624 1.00 0.00 C ATOM 400 O THR A 110 4.397 2.014 5.345 1.00 0.00 O ATOM 401 CB THR A 110 1.895 0.190 6.106 1.00 0.00 C ATOM 402 OG1 THR A 110 0.741 -0.504 5.620 1.00 0.00 O ATOM 403 CG2 THR A 110 1.558 1.658 6.319 1.00 0.00 C ATOM 0 H THR A 110 2.758 -2.025 5.345 1.00 0.00 H new ATOM 0 HA THR A 110 2.758 0.431 4.142 1.00 0.00 H new ATOM 0 HB THR A 110 2.201 -0.239 7.060 1.00 0.00 H new ATOM 0 HG1 THR A 110 0.005 -0.402 6.259 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.732 1.743 7.025 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.430 2.178 6.716 1.00 0.00 H new ATOM 0 HG23 THR A 110 1.270 2.107 5.368 1.00 0.00 H new ATOM 411 N GLU A 111 5.127 0.150 6.374 1.00 0.00 N ATOM 412 CA GLU A 111 6.316 0.790 6.926 1.00 0.00 C ATOM 413 C GLU A 111 7.402 0.931 5.862 1.00 0.00 C ATOM 414 O GLU A 111 8.284 1.783 5.969 1.00 0.00 O ATOM 415 CB GLU A 111 6.851 -0.014 8.113 1.00 0.00 C ATOM 416 CG GLU A 111 7.851 0.750 8.964 1.00 0.00 C ATOM 417 CD GLU A 111 8.209 0.016 10.242 1.00 0.00 C ATOM 418 OE1 GLU A 111 8.854 -1.049 10.155 1.00 0.00 O ATOM 419 OE2 GLU A 111 7.844 0.509 11.330 1.00 0.00 O ATOM 0 H GLU A 111 5.029 -0.837 6.613 1.00 0.00 H new ATOM 0 HA GLU A 111 6.035 1.786 7.268 1.00 0.00 H new ATOM 0 HB2 GLU A 111 6.014 -0.322 8.739 1.00 0.00 H new ATOM 0 HB3 GLU A 111 7.323 -0.924 7.742 1.00 0.00 H new ATOM 0 HG2 GLU A 111 8.757 0.926 8.384 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.438 1.727 9.214 1.00 0.00 H new ATOM 426 N ASP A 112 7.330 0.088 4.837 1.00 0.00 N ATOM 427 CA ASP A 112 8.305 0.118 3.754 1.00 0.00 C ATOM 428 C ASP A 112 7.999 1.250 2.778 1.00 0.00 C ATOM 429 O ASP A 112 8.883 2.028 2.419 1.00 0.00 O ATOM 430 CB ASP A 112 8.317 -1.220 3.013 1.00 0.00 C ATOM 431 CG ASP A 112 9.263 -2.223 3.645 1.00 0.00 C ATOM 432 OD1 ASP A 112 10.134 -1.801 4.434 1.00 0.00 O ATOM 433 OD2 ASP A 112 9.132 -3.429 3.351 1.00 0.00 O ATOM 0 H ASP A 112 6.607 -0.624 4.734 1.00 0.00 H new ATOM 0 HA ASP A 112 9.289 0.293 4.189 1.00 0.00 H new ATOM 0 HB2 ASP A 112 7.309 -1.634 3.000 1.00 0.00 H new ATOM 0 HB3 ASP A 112 8.607 -1.055 1.975 1.00 0.00 H new ATOM 438 N ILE A 113 6.743 1.335 2.353 1.00 0.00 N ATOM 439 CA ILE A 113 6.321 2.372 1.420 1.00 0.00 C ATOM 440 C ILE A 113 6.603 3.763 1.979 1.00 0.00 C ATOM 441 O ILE A 113 7.068 4.650 1.263 1.00 0.00 O ATOM 442 CB ILE A 113 4.821 2.257 1.091 1.00 0.00 C ATOM 443 CG1 ILE A 113 4.512 0.884 0.492 1.00 0.00 C ATOM 444 CG2 ILE A 113 4.402 3.365 0.135 1.00 0.00 C ATOM 445 CD1 ILE A 113 3.115 0.774 -0.079 1.00 0.00 C ATOM 0 H ILE A 113 6.000 0.698 2.640 1.00 0.00 H new ATOM 0 HA ILE A 113 6.897 2.227 0.506 1.00 0.00 H new ATOM 0 HB ILE A 113 4.252 2.366 2.014 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.235 0.669 -0.295 1.00 0.00 H new ATOM 0 HG13 ILE A 113 4.642 0.123 1.262 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.339 3.270 -0.088 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.591 4.334 0.596 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.975 3.285 -0.789 1.00 0.00 H new ATOM 0 HD11 ILE A 113 2.966 -0.226 -0.486 1.00 0.00 H new ATOM 0 HD12 ILE A 113 2.384 0.957 0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 113 2.987 1.511 -0.872 1.00 0.00 H new ATOM 457 N LYS A 114 6.319 3.946 3.264 1.00 0.00 N ATOM 458 CA LYS A 114 6.544 5.228 3.922 1.00 0.00 C ATOM 459 C LYS A 114 8.010 5.639 3.826 1.00 0.00 C ATOM 460 O LYS A 114 8.323 6.794 3.540 1.00 0.00 O ATOM 461 CB LYS A 114 6.119 5.152 5.390 1.00 0.00 C ATOM 462 CG LYS A 114 4.626 5.333 5.602 1.00 0.00 C ATOM 463 CD LYS A 114 4.311 5.741 7.031 1.00 0.00 C ATOM 464 CE LYS A 114 3.020 6.542 7.110 1.00 0.00 C ATOM 465 NZ LYS A 114 2.944 7.349 8.359 1.00 0.00 N ATOM 0 H LYS A 114 5.933 3.223 3.871 1.00 0.00 H new ATOM 0 HA LYS A 114 5.940 5.980 3.414 1.00 0.00 H new ATOM 0 HB2 LYS A 114 6.421 4.187 5.797 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.653 5.917 5.954 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.249 6.091 4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 114 4.109 4.403 5.366 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.227 4.851 7.655 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.133 6.334 7.431 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.949 7.203 6.246 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.168 5.864 7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 2.050 7.880 8.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 2.986 6.717 9.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 3.743 8.014 8.392 1.00 0.00 H new ATOM 479 N SER A 115 8.904 4.685 4.066 1.00 0.00 N ATOM 480 CA SER A 115 10.337 4.949 4.010 1.00 0.00 C ATOM 481 C SER A 115 10.842 4.901 2.570 1.00 0.00 C ATOM 482 O SER A 115 11.930 5.389 2.266 1.00 0.00 O ATOM 483 CB SER A 115 11.098 3.932 4.863 1.00 0.00 C ATOM 484 OG SER A 115 12.491 4.193 4.845 1.00 0.00 O ATOM 0 H SER A 115 8.661 3.723 4.301 1.00 0.00 H new ATOM 0 HA SER A 115 10.513 5.949 4.406 1.00 0.00 H new ATOM 0 HB2 SER A 115 10.732 3.966 5.889 1.00 0.00 H new ATOM 0 HB3 SER A 115 10.908 2.925 4.490 1.00 0.00 H new ATOM 0 HG SER A 115 12.740 4.580 3.980 1.00 0.00 H new ATOM 490 N ALA A 116 10.042 4.309 1.689 1.00 0.00 N ATOM 491 CA ALA A 116 10.405 4.198 0.282 1.00 0.00 C ATOM 492 C ALA A 116 9.918 5.409 -0.507 1.00 0.00 C ATOM 493 O ALA A 116 10.418 5.695 -1.596 1.00 0.00 O ATOM 494 CB ALA A 116 9.838 2.917 -0.311 1.00 0.00 C ATOM 0 H ALA A 116 9.138 3.899 1.925 1.00 0.00 H new ATOM 0 HA ALA A 116 11.492 4.166 0.215 1.00 0.00 H new ATOM 0 HB1 ALA A 116 10.117 2.848 -1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 116 10.238 2.058 0.228 1.00 0.00 H new ATOM 0 HB3 ALA A 116 8.752 2.926 -0.224 1.00 0.00 H new ATOM 500 N PHE A 117 8.940 6.117 0.048 1.00 0.00 N ATOM 501 CA PHE A 117 8.385 7.297 -0.606 1.00 0.00 C ATOM 502 C PHE A 117 8.806 8.570 0.122 1.00 0.00 C ATOM 503 O PHE A 117 8.606 9.677 -0.377 1.00 0.00 O ATOM 504 CB PHE A 117 6.858 7.206 -0.656 1.00 0.00 C ATOM 505 CG PHE A 117 6.343 6.414 -1.825 1.00 0.00 C ATOM 506 CD1 PHE A 117 6.309 5.030 -1.780 1.00 0.00 C ATOM 507 CD2 PHE A 117 5.894 7.055 -2.968 1.00 0.00 C ATOM 508 CE1 PHE A 117 5.836 4.299 -2.853 1.00 0.00 C ATOM 509 CE2 PHE A 117 5.419 6.329 -4.044 1.00 0.00 C ATOM 510 CZ PHE A 117 5.391 4.949 -3.987 1.00 0.00 C ATOM 0 H PHE A 117 8.515 5.895 0.948 1.00 0.00 H new ATOM 0 HA PHE A 117 8.774 7.336 -1.623 1.00 0.00 H new ATOM 0 HB2 PHE A 117 6.499 6.752 0.267 1.00 0.00 H new ATOM 0 HB3 PHE A 117 6.443 8.213 -0.698 1.00 0.00 H new ATOM 0 HD1 PHE A 117 6.656 4.516 -0.896 1.00 0.00 H new ATOM 0 HD2 PHE A 117 5.915 8.134 -3.019 1.00 0.00 H new ATOM 0 HE1 PHE A 117 5.814 3.220 -2.805 1.00 0.00 H new ATOM 0 HE2 PHE A 117 5.070 6.840 -4.929 1.00 0.00 H new ATOM 0 HZ PHE A 117 5.022 4.380 -4.827 1.00 0.00 H new ATOM 520 N ALA A 118 9.390 8.404 1.304 1.00 0.00 N ATOM 521 CA ALA A 118 9.840 9.539 2.100 1.00 0.00 C ATOM 522 C ALA A 118 10.844 10.387 1.326 1.00 0.00 C ATOM 523 O ALA A 118 10.767 11.616 1.302 1.00 0.00 O ATOM 524 CB ALA A 118 10.450 9.057 3.408 1.00 0.00 C ATOM 0 H ALA A 118 9.563 7.494 1.732 1.00 0.00 H new ATOM 0 HA ALA A 118 8.974 10.162 2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.782 9.915 3.993 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.704 8.499 3.974 1.00 0.00 H new ATOM 0 HB3 ALA A 118 11.302 8.411 3.196 1.00 0.00 H new ATOM 530 N PRO A 119 11.811 9.719 0.679 1.00 0.00 N ATOM 531 CA PRO A 119 12.849 10.392 -0.106 1.00 0.00 C ATOM 532 C PRO A 119 12.272 11.440 -1.052 1.00 0.00 C ATOM 533 O PRO A 119 12.993 12.306 -1.550 1.00 0.00 O ATOM 534 CB PRO A 119 13.489 9.251 -0.900 1.00 0.00 C ATOM 535 CG PRO A 119 13.247 8.034 -0.076 1.00 0.00 C ATOM 536 CD PRO A 119 11.964 8.254 0.665 1.00 0.00 C ATOM 0 HA PRO A 119 13.551 10.935 0.527 1.00 0.00 H new ATOM 0 HB2 PRO A 119 13.039 9.156 -1.888 1.00 0.00 H new ATOM 0 HB3 PRO A 119 14.555 9.422 -1.050 1.00 0.00 H new ATOM 0 HG2 PRO A 119 13.180 7.148 -0.707 1.00 0.00 H new ATOM 0 HG3 PRO A 119 14.070 7.869 0.619 1.00 0.00 H new ATOM 0 HD2 PRO A 119 11.125 7.769 0.165 1.00 0.00 H new ATOM 0 HD3 PRO A 119 12.011 7.847 1.675 1.00 0.00 H new ATOM 544 N PHE A 120 10.968 11.357 -1.296 1.00 0.00 N ATOM 545 CA PHE A 120 10.295 12.299 -2.182 1.00 0.00 C ATOM 546 C PHE A 120 9.705 13.463 -1.392 1.00 0.00 C ATOM 547 O PHE A 120 9.631 14.588 -1.886 1.00 0.00 O ATOM 548 CB PHE A 120 9.190 11.590 -2.969 1.00 0.00 C ATOM 549 CG PHE A 120 9.644 10.318 -3.626 1.00 0.00 C ATOM 550 CD1 PHE A 120 10.612 10.342 -4.617 1.00 0.00 C ATOM 551 CD2 PHE A 120 9.103 9.098 -3.253 1.00 0.00 C ATOM 552 CE1 PHE A 120 11.031 9.173 -5.224 1.00 0.00 C ATOM 553 CE2 PHE A 120 9.518 7.926 -3.856 1.00 0.00 C ATOM 554 CZ PHE A 120 10.484 7.963 -4.842 1.00 0.00 C ATOM 0 H PHE A 120 10.357 10.647 -0.892 1.00 0.00 H new ATOM 0 HA PHE A 120 11.033 12.694 -2.880 1.00 0.00 H new ATOM 0 HB2 PHE A 120 8.362 11.367 -2.296 1.00 0.00 H new ATOM 0 HB3 PHE A 120 8.807 12.267 -3.732 1.00 0.00 H new ATOM 0 HD1 PHE A 120 11.044 11.285 -4.919 1.00 0.00 H new ATOM 0 HD2 PHE A 120 8.348 9.063 -2.482 1.00 0.00 H new ATOM 0 HE1 PHE A 120 11.785 9.205 -5.996 1.00 0.00 H new ATOM 0 HE2 PHE A 120 9.087 6.982 -3.556 1.00 0.00 H new ATOM 0 HZ PHE A 120 10.811 7.048 -5.314 1.00 0.00 H new ATOM 564 N GLY A 121 9.286 13.184 -0.162 1.00 0.00 N ATOM 565 CA GLY A 121 8.708 14.217 0.677 1.00 0.00 C ATOM 566 C GLY A 121 7.914 13.646 1.836 1.00 0.00 C ATOM 567 O GLY A 121 7.795 12.429 1.977 1.00 0.00 O ATOM 0 H GLY A 121 9.337 12.261 0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 121 9.504 14.854 1.064 1.00 0.00 H new ATOM 0 HA3 GLY A 121 8.059 14.850 0.073 1.00 0.00 H new ATOM 571 N LYS A 122 7.371 14.527 2.669 1.00 0.00 N ATOM 572 CA LYS A 122 6.584 14.105 3.823 1.00 0.00 C ATOM 573 C LYS A 122 5.336 13.347 3.382 1.00 0.00 C ATOM 574 O LYS A 122 4.727 13.674 2.364 1.00 0.00 O ATOM 575 CB LYS A 122 6.185 15.319 4.665 1.00 0.00 C ATOM 576 CG LYS A 122 5.308 14.971 5.855 1.00 0.00 C ATOM 577 CD LYS A 122 6.104 14.286 6.953 1.00 0.00 C ATOM 578 CE LYS A 122 5.191 13.609 7.964 1.00 0.00 C ATOM 579 NZ LYS A 122 5.889 13.347 9.253 1.00 0.00 N ATOM 0 H LYS A 122 7.461 15.538 2.567 1.00 0.00 H new ATOM 0 HA LYS A 122 7.199 13.438 4.427 1.00 0.00 H new ATOM 0 HB2 LYS A 122 7.087 15.816 5.022 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.658 16.033 4.032 1.00 0.00 H new ATOM 0 HG2 LYS A 122 4.850 15.879 6.248 1.00 0.00 H new ATOM 0 HG3 LYS A 122 4.497 14.319 5.532 1.00 0.00 H new ATOM 0 HD2 LYS A 122 6.772 13.546 6.512 1.00 0.00 H new ATOM 0 HD3 LYS A 122 6.731 15.019 7.461 1.00 0.00 H new ATOM 0 HE2 LYS A 122 4.319 14.238 8.144 1.00 0.00 H new ATOM 0 HE3 LYS A 122 4.826 12.669 7.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 5.233 12.885 9.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 6.706 12.726 9.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 6.215 14.247 9.660 1.00 0.00 H new ATOM 593 N ILE A 123 4.962 12.333 4.156 1.00 0.00 N ATOM 594 CA ILE A 123 3.785 11.531 3.846 1.00 0.00 C ATOM 595 C ILE A 123 2.697 11.722 4.897 1.00 0.00 C ATOM 596 O ILE A 123 2.938 11.550 6.092 1.00 0.00 O ATOM 597 CB ILE A 123 4.134 10.034 3.751 1.00 0.00 C ATOM 598 CG1 ILE A 123 5.234 9.809 2.710 1.00 0.00 C ATOM 599 CG2 ILE A 123 2.895 9.222 3.403 1.00 0.00 C ATOM 600 CD1 ILE A 123 5.865 8.437 2.785 1.00 0.00 C ATOM 0 H ILE A 123 5.457 12.048 5.001 1.00 0.00 H new ATOM 0 HA ILE A 123 3.416 11.872 2.879 1.00 0.00 H new ATOM 0 HB ILE A 123 4.503 9.700 4.721 1.00 0.00 H new ATOM 0 HG12 ILE A 123 4.815 9.954 1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 123 6.009 10.564 2.843 1.00 0.00 H new ATOM 0 HG21 ILE A 123 3.158 8.166 3.339 1.00 0.00 H new ATOM 0 HG22 ILE A 123 2.139 9.362 4.176 1.00 0.00 H new ATOM 0 HG23 ILE A 123 2.499 9.556 2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.635 8.348 2.019 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.314 8.296 3.768 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.102 7.676 2.622 1.00 0.00 H new ATOM 612 N SER A 124 1.499 12.076 4.443 1.00 0.00 N ATOM 613 CA SER A 124 0.374 12.292 5.345 1.00 0.00 C ATOM 614 C SER A 124 -0.460 11.022 5.488 1.00 0.00 C ATOM 615 O SER A 124 -0.959 10.712 6.570 1.00 0.00 O ATOM 616 CB SER A 124 -0.503 13.437 4.834 1.00 0.00 C ATOM 617 OG SER A 124 -1.196 14.063 5.900 1.00 0.00 O ATOM 0 H SER A 124 1.283 12.219 3.457 1.00 0.00 H new ATOM 0 HA SER A 124 0.771 12.557 6.325 1.00 0.00 H new ATOM 0 HB2 SER A 124 0.116 14.171 4.318 1.00 0.00 H new ATOM 0 HB3 SER A 124 -1.218 13.054 4.106 1.00 0.00 H new ATOM 0 HG SER A 124 -1.748 14.792 5.548 1.00 0.00 H new ATOM 623 N ASP A 125 -0.605 10.291 4.388 1.00 0.00 N ATOM 624 CA ASP A 125 -1.377 9.054 4.389 1.00 0.00 C ATOM 625 C ASP A 125 -0.772 8.035 3.428 1.00 0.00 C ATOM 626 O ASP A 125 -0.708 8.267 2.221 1.00 0.00 O ATOM 627 CB ASP A 125 -2.831 9.334 4.006 1.00 0.00 C ATOM 628 CG ASP A 125 -3.598 8.068 3.679 1.00 0.00 C ATOM 629 OD1 ASP A 125 -3.431 7.547 2.556 1.00 0.00 O ATOM 630 OD2 ASP A 125 -4.365 7.598 4.545 1.00 0.00 O ATOM 0 H ASP A 125 -0.198 10.534 3.485 1.00 0.00 H new ATOM 0 HA ASP A 125 -1.349 8.638 5.396 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -3.326 9.854 4.826 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -2.855 10.002 3.145 1.00 0.00 H new ATOM 635 N ALA A 126 -0.328 6.907 3.972 1.00 0.00 N ATOM 636 CA ALA A 126 0.271 5.853 3.163 1.00 0.00 C ATOM 637 C ALA A 126 -0.047 4.475 3.734 1.00 0.00 C ATOM 638 O ALA A 126 0.316 4.163 4.868 1.00 0.00 O ATOM 639 CB ALA A 126 1.777 6.051 3.068 1.00 0.00 C ATOM 0 H ALA A 126 -0.372 6.700 4.970 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.156 5.911 2.162 1.00 0.00 H new ATOM 0 HB1 ALA A 126 2.211 5.256 2.461 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.989 7.016 2.608 1.00 0.00 H new ATOM 0 HB3 ALA A 126 2.211 6.022 4.067 1.00 0.00 H new ATOM 645 N ARG A 127 -0.728 3.654 2.941 1.00 0.00 N ATOM 646 CA ARG A 127 -1.097 2.310 3.368 1.00 0.00 C ATOM 647 C ARG A 127 -1.136 1.353 2.180 1.00 0.00 C ATOM 648 O ARG A 127 -1.181 1.780 1.026 1.00 0.00 O ATOM 649 CB ARG A 127 -2.459 2.329 4.066 1.00 0.00 C ATOM 650 CG ARG A 127 -3.635 2.251 3.107 1.00 0.00 C ATOM 651 CD ARG A 127 -4.943 2.019 3.848 1.00 0.00 C ATOM 652 NE ARG A 127 -5.219 3.077 4.816 1.00 0.00 N ATOM 653 CZ ARG A 127 -6.096 2.957 5.806 1.00 0.00 C ATOM 654 NH1 ARG A 127 -6.779 1.831 5.958 1.00 0.00 N ATOM 655 NH2 ARG A 127 -6.292 3.965 6.647 1.00 0.00 N ATOM 0 H ARG A 127 -1.035 3.896 1.999 1.00 0.00 H new ATOM 0 HA ARG A 127 -0.341 1.959 4.070 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -2.513 1.492 4.762 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -2.543 3.241 4.657 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -3.700 3.175 2.533 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -3.471 1.443 2.394 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -5.761 1.962 3.130 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -4.903 1.059 4.362 1.00 0.00 H new ATOM 0 HE ARG A 127 -4.710 3.957 4.727 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -6.632 1.054 5.314 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -7.452 1.742 6.719 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -5.769 4.833 6.533 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -6.966 3.871 7.407 1.00 0.00 H new ATOM 669 N VAL A 128 -1.118 0.056 2.471 1.00 0.00 N ATOM 670 CA VAL A 128 -1.152 -0.962 1.427 1.00 0.00 C ATOM 671 C VAL A 128 -2.426 -1.795 1.513 1.00 0.00 C ATOM 672 O VAL A 128 -2.558 -2.659 2.380 1.00 0.00 O ATOM 673 CB VAL A 128 0.068 -1.898 1.517 1.00 0.00 C ATOM 674 CG1 VAL A 128 0.199 -2.472 2.919 1.00 0.00 C ATOM 675 CG2 VAL A 128 -0.038 -3.010 0.484 1.00 0.00 C ATOM 0 H VAL A 128 -1.080 -0.315 3.421 1.00 0.00 H new ATOM 0 HA VAL A 128 -1.129 -0.437 0.472 1.00 0.00 H new ATOM 0 HB VAL A 128 0.966 -1.318 1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 128 1.066 -3.131 2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 128 0.324 -1.659 3.635 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -0.699 -3.038 3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 128 0.832 -3.662 0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -0.943 -3.589 0.665 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -0.079 -2.576 -0.515 1.00 0.00 H new ATOM 685 N VAL A 129 -3.362 -1.530 0.607 1.00 0.00 N ATOM 686 CA VAL A 129 -4.626 -2.256 0.579 1.00 0.00 C ATOM 687 C VAL A 129 -4.394 -3.756 0.434 1.00 0.00 C ATOM 688 O VAL A 129 -3.732 -4.206 -0.501 1.00 0.00 O ATOM 689 CB VAL A 129 -5.525 -1.773 -0.574 1.00 0.00 C ATOM 690 CG1 VAL A 129 -6.873 -2.476 -0.531 1.00 0.00 C ATOM 691 CG2 VAL A 129 -5.701 -0.263 -0.516 1.00 0.00 C ATOM 0 H VAL A 129 -3.269 -0.818 -0.117 1.00 0.00 H new ATOM 0 HA VAL A 129 -5.126 -2.058 1.527 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.041 -2.024 -1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -7.495 -2.122 -1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -6.725 -3.552 -0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -7.366 -2.259 0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -6.339 0.061 -1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.163 0.013 0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -4.728 0.220 -0.600 1.00 0.00 H new ATOM 701 N LYS A 130 -4.945 -4.526 1.366 1.00 0.00 N ATOM 702 CA LYS A 130 -4.801 -5.977 1.343 1.00 0.00 C ATOM 703 C LYS A 130 -6.165 -6.659 1.306 1.00 0.00 C ATOM 704 O LYS A 130 -7.174 -6.070 1.696 1.00 0.00 O ATOM 705 CB LYS A 130 -4.015 -6.452 2.567 1.00 0.00 C ATOM 706 CG LYS A 130 -2.510 -6.460 2.359 1.00 0.00 C ATOM 707 CD LYS A 130 -1.769 -6.753 3.652 1.00 0.00 C ATOM 708 CE LYS A 130 -0.263 -6.757 3.443 1.00 0.00 C ATOM 709 NZ LYS A 130 0.446 -7.485 4.532 1.00 0.00 N ATOM 0 H LYS A 130 -5.496 -4.169 2.147 1.00 0.00 H new ATOM 0 HA LYS A 130 -4.254 -6.248 0.440 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -4.253 -5.808 3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -4.342 -7.458 2.830 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -2.249 -7.209 1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -2.191 -5.494 1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -2.031 -6.005 4.400 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -2.086 -7.720 4.043 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -0.031 -7.221 2.485 1.00 0.00 H new ATOM 0 HE3 LYS A 130 0.100 -5.730 3.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 1.470 -7.465 4.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 0.245 -7.027 5.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 0.119 -8.472 4.560 1.00 0.00 H new ATOM 723 N ASP A 131 -6.188 -7.901 0.837 1.00 0.00 N ATOM 724 CA ASP A 131 -7.428 -8.664 0.753 1.00 0.00 C ATOM 725 C ASP A 131 -7.998 -8.932 2.142 1.00 0.00 C ATOM 726 O ASP A 131 -7.275 -8.892 3.138 1.00 0.00 O ATOM 727 CB ASP A 131 -7.190 -9.986 0.021 1.00 0.00 C ATOM 728 CG ASP A 131 -8.484 -10.665 -0.383 1.00 0.00 C ATOM 729 OD1 ASP A 131 -9.520 -9.971 -0.458 1.00 0.00 O ATOM 730 OD2 ASP A 131 -8.460 -11.889 -0.627 1.00 0.00 O ATOM 0 H ASP A 131 -5.362 -8.401 0.509 1.00 0.00 H new ATOM 0 HA ASP A 131 -8.152 -8.072 0.192 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -6.587 -9.802 -0.868 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -6.617 -10.655 0.663 1.00 0.00 H new ATOM 735 N MET A 132 -9.297 -9.204 2.201 1.00 0.00 N ATOM 736 CA MET A 132 -9.963 -9.479 3.469 1.00 0.00 C ATOM 737 C MET A 132 -10.189 -10.977 3.651 1.00 0.00 C ATOM 738 O MET A 132 -10.514 -11.436 4.745 1.00 0.00 O ATOM 739 CB MET A 132 -11.299 -8.738 3.539 1.00 0.00 C ATOM 740 CG MET A 132 -11.152 -7.236 3.726 1.00 0.00 C ATOM 741 SD MET A 132 -11.032 -6.761 5.461 1.00 0.00 S ATOM 742 CE MET A 132 -12.682 -7.155 6.036 1.00 0.00 C ATOM 0 H MET A 132 -9.909 -9.240 1.386 1.00 0.00 H new ATOM 0 HA MET A 132 -9.318 -9.126 4.274 1.00 0.00 H new ATOM 0 HB2 MET A 132 -11.859 -8.929 2.624 1.00 0.00 H new ATOM 0 HB3 MET A 132 -11.887 -9.143 4.363 1.00 0.00 H new ATOM 0 HG2 MET A 132 -10.263 -6.893 3.197 1.00 0.00 H new ATOM 0 HG3 MET A 132 -12.006 -6.732 3.274 1.00 0.00 H new ATOM 0 HE1 MET A 132 -12.926 -6.531 6.896 1.00 0.00 H new ATOM 0 HE2 MET A 132 -13.400 -6.969 5.237 1.00 0.00 H new ATOM 0 HE3 MET A 132 -12.725 -8.205 6.325 1.00 0.00 H new ATOM 752 N ALA A 133 -10.015 -11.732 2.572 1.00 0.00 N ATOM 753 CA ALA A 133 -10.198 -13.178 2.614 1.00 0.00 C ATOM 754 C ALA A 133 -8.893 -13.887 2.957 1.00 0.00 C ATOM 755 O ALA A 133 -8.859 -14.765 3.820 1.00 0.00 O ATOM 756 CB ALA A 133 -10.740 -13.679 1.283 1.00 0.00 C ATOM 0 H ALA A 133 -9.748 -11.367 1.658 1.00 0.00 H new ATOM 0 HA ALA A 133 -10.921 -13.406 3.398 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -10.872 -14.760 1.328 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -11.700 -13.204 1.079 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -10.037 -13.432 0.488 1.00 0.00 H new ATOM 762 N THR A 134 -7.818 -13.501 2.276 1.00 0.00 N ATOM 763 CA THR A 134 -6.510 -14.102 2.508 1.00 0.00 C ATOM 764 C THR A 134 -5.626 -13.186 3.347 1.00 0.00 C ATOM 765 O THR A 134 -4.882 -13.647 4.212 1.00 0.00 O ATOM 766 CB THR A 134 -5.793 -14.415 1.181 1.00 0.00 C ATOM 767 OG1 THR A 134 -5.210 -13.222 0.646 1.00 0.00 O ATOM 768 CG2 THR A 134 -6.761 -15.010 0.170 1.00 0.00 C ATOM 0 H THR A 134 -7.828 -12.775 1.560 1.00 0.00 H new ATOM 0 HA THR A 134 -6.680 -15.033 3.049 1.00 0.00 H new ATOM 0 HB THR A 134 -5.008 -15.144 1.381 1.00 0.00 H new ATOM 0 HG1 THR A 134 -4.755 -13.430 -0.197 1.00 0.00 H new ATOM 0 HG21 THR A 134 -6.232 -15.223 -0.759 1.00 0.00 H new ATOM 0 HG22 THR A 134 -7.181 -15.934 0.568 1.00 0.00 H new ATOM 0 HG23 THR A 134 -7.565 -14.301 -0.025 1.00 0.00 H new ATOM 776 N GLY A 135 -5.712 -11.885 3.085 1.00 0.00 N ATOM 777 CA GLY A 135 -4.914 -10.925 3.825 1.00 0.00 C ATOM 778 C GLY A 135 -3.573 -10.659 3.171 1.00 0.00 C ATOM 779 O GLY A 135 -2.580 -10.405 3.853 1.00 0.00 O ATOM 0 H GLY A 135 -6.320 -11.479 2.374 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -5.465 -9.988 3.911 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -4.754 -11.294 4.838 1.00 0.00 H new ATOM 783 N LYS A 136 -3.542 -10.719 1.844 1.00 0.00 N ATOM 784 CA LYS A 136 -2.313 -10.483 1.096 1.00 0.00 C ATOM 785 C LYS A 136 -2.402 -9.186 0.297 1.00 0.00 C ATOM 786 O LYS A 136 -3.494 -8.727 -0.038 1.00 0.00 O ATOM 787 CB LYS A 136 -2.031 -11.656 0.154 1.00 0.00 C ATOM 788 CG LYS A 136 -1.651 -12.938 0.875 1.00 0.00 C ATOM 789 CD LYS A 136 -1.275 -14.038 -0.104 1.00 0.00 C ATOM 790 CE LYS A 136 -1.143 -15.383 0.594 1.00 0.00 C ATOM 791 NZ LYS A 136 -0.706 -16.453 -0.344 1.00 0.00 N ATOM 0 H LYS A 136 -4.354 -10.929 1.264 1.00 0.00 H new ATOM 0 HA LYS A 136 -1.495 -10.394 1.810 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -2.915 -11.841 -0.457 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -1.225 -11.379 -0.526 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -0.814 -12.745 1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -2.485 -13.270 1.494 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -2.032 -14.105 -0.886 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -0.334 -13.786 -0.592 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -0.425 -15.300 1.410 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -2.100 -15.657 1.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -0.628 -17.354 0.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -1.404 -16.550 -1.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 0.219 -16.204 -0.748 1.00 0.00 H new ATOM 805 N SER A 137 -1.247 -8.602 -0.005 1.00 0.00 N ATOM 806 CA SER A 137 -1.196 -7.357 -0.762 1.00 0.00 C ATOM 807 C SER A 137 -1.942 -7.495 -2.086 1.00 0.00 C ATOM 808 O SER A 137 -1.434 -8.084 -3.040 1.00 0.00 O ATOM 809 CB SER A 137 0.257 -6.953 -1.022 1.00 0.00 C ATOM 810 OG SER A 137 0.387 -5.544 -1.108 1.00 0.00 O ATOM 0 H SER A 137 -0.334 -8.971 0.263 1.00 0.00 H new ATOM 0 HA SER A 137 -1.682 -6.581 -0.171 1.00 0.00 H new ATOM 0 HB2 SER A 137 0.892 -7.332 -0.221 1.00 0.00 H new ATOM 0 HB3 SER A 137 0.605 -7.411 -1.948 1.00 0.00 H new ATOM 0 HG SER A 137 1.325 -5.311 -1.273 1.00 0.00 H new ATOM 816 N LYS A 138 -3.151 -6.947 -2.136 1.00 0.00 N ATOM 817 CA LYS A 138 -3.969 -7.006 -3.341 1.00 0.00 C ATOM 818 C LYS A 138 -3.140 -6.675 -4.578 1.00 0.00 C ATOM 819 O LYS A 138 -3.310 -7.286 -5.633 1.00 0.00 O ATOM 820 CB LYS A 138 -5.149 -6.037 -3.231 1.00 0.00 C ATOM 821 CG LYS A 138 -6.246 -6.519 -2.298 1.00 0.00 C ATOM 822 CD LYS A 138 -7.601 -5.954 -2.691 1.00 0.00 C ATOM 823 CE LYS A 138 -8.703 -6.459 -1.774 1.00 0.00 C ATOM 824 NZ LYS A 138 -10.034 -5.904 -2.147 1.00 0.00 N ATOM 0 H LYS A 138 -3.586 -6.456 -1.355 1.00 0.00 H new ATOM 0 HA LYS A 138 -4.350 -8.022 -3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -4.784 -5.071 -2.881 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -5.571 -5.878 -4.223 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -6.286 -7.608 -2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -6.011 -6.224 -1.275 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -7.567 -4.865 -2.655 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -7.827 -6.232 -3.720 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -8.739 -7.548 -1.815 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -8.472 -6.187 -0.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -10.758 -6.273 -1.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -10.008 -4.866 -2.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -10.267 -6.185 -3.121 1.00 0.00 H new ATOM 838 N GLY A 139 -2.242 -5.704 -4.441 1.00 0.00 N ATOM 839 CA GLY A 139 -1.399 -5.311 -5.555 1.00 0.00 C ATOM 840 C GLY A 139 -1.496 -3.829 -5.860 1.00 0.00 C ATOM 841 O GLY A 139 -1.108 -3.384 -6.940 1.00 0.00 O ATOM 0 H GLY A 139 -2.083 -5.183 -3.579 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -0.363 -5.566 -5.331 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -1.683 -5.880 -6.440 1.00 0.00 H new ATOM 845 N TYR A 140 -2.018 -3.064 -4.908 1.00 0.00 N ATOM 846 CA TYR A 140 -2.169 -1.624 -5.082 1.00 0.00 C ATOM 847 C TYR A 140 -2.326 -0.926 -3.735 1.00 0.00 C ATOM 848 O TYR A 140 -2.916 -1.472 -2.804 1.00 0.00 O ATOM 849 CB TYR A 140 -3.378 -1.321 -5.969 1.00 0.00 C ATOM 850 CG TYR A 140 -4.706 -1.540 -5.280 1.00 0.00 C ATOM 851 CD1 TYR A 140 -5.299 -2.796 -5.254 1.00 0.00 C ATOM 852 CD2 TYR A 140 -5.368 -0.490 -4.654 1.00 0.00 C ATOM 853 CE1 TYR A 140 -6.512 -3.001 -4.626 1.00 0.00 C ATOM 854 CE2 TYR A 140 -6.580 -0.686 -4.022 1.00 0.00 C ATOM 855 CZ TYR A 140 -7.148 -1.943 -4.011 1.00 0.00 C ATOM 856 OH TYR A 140 -8.357 -2.142 -3.384 1.00 0.00 O ATOM 0 H TYR A 140 -2.344 -3.417 -4.008 1.00 0.00 H new ATOM 0 HA TYR A 140 -1.268 -1.245 -5.564 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -3.320 -0.286 -6.307 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -3.332 -1.949 -6.858 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -4.803 -3.627 -5.733 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -4.927 0.496 -4.662 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -6.960 -3.984 -4.617 1.00 0.00 H new ATOM 0 HE2 TYR A 140 -7.080 0.140 -3.539 1.00 0.00 H new ATOM 0 HH TYR A 140 -8.670 -1.296 -3.000 1.00 0.00 H new ATOM 866 N GLY A 141 -1.791 0.288 -3.639 1.00 0.00 N ATOM 867 CA GLY A 141 -1.881 1.043 -2.403 1.00 0.00 C ATOM 868 C GLY A 141 -2.113 2.522 -2.642 1.00 0.00 C ATOM 869 O GLY A 141 -2.276 2.955 -3.783 1.00 0.00 O ATOM 0 H GLY A 141 -1.297 0.762 -4.395 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -2.694 0.644 -1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -0.962 0.910 -1.832 1.00 0.00 H new ATOM 873 N PHE A 142 -2.129 3.298 -1.564 1.00 0.00 N ATOM 874 CA PHE A 142 -2.345 4.737 -1.661 1.00 0.00 C ATOM 875 C PHE A 142 -1.276 5.502 -0.886 1.00 0.00 C ATOM 876 O PHE A 142 -0.847 5.076 0.187 1.00 0.00 O ATOM 877 CB PHE A 142 -3.733 5.103 -1.133 1.00 0.00 C ATOM 878 CG PHE A 142 -4.855 4.580 -1.984 1.00 0.00 C ATOM 879 CD1 PHE A 142 -5.076 5.091 -3.253 1.00 0.00 C ATOM 880 CD2 PHE A 142 -5.689 3.578 -1.515 1.00 0.00 C ATOM 881 CE1 PHE A 142 -6.109 4.613 -4.037 1.00 0.00 C ATOM 882 CE2 PHE A 142 -6.723 3.095 -2.295 1.00 0.00 C ATOM 883 CZ PHE A 142 -6.932 3.612 -3.558 1.00 0.00 C ATOM 0 H PHE A 142 -1.995 2.955 -0.613 1.00 0.00 H new ATOM 0 HA PHE A 142 -2.278 5.018 -2.712 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -3.843 4.713 -0.121 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -3.813 6.188 -1.067 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -4.434 5.871 -3.634 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -5.529 3.169 -0.528 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -6.273 5.022 -5.023 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -7.366 2.314 -1.917 1.00 0.00 H new ATOM 0 HZ PHE A 142 -7.737 3.235 -4.171 1.00 0.00 H new ATOM 893 N VAL A 143 -0.848 6.633 -1.438 1.00 0.00 N ATOM 894 CA VAL A 143 0.170 7.458 -0.800 1.00 0.00 C ATOM 895 C VAL A 143 -0.027 8.932 -1.135 1.00 0.00 C ATOM 896 O VAL A 143 0.256 9.369 -2.251 1.00 0.00 O ATOM 897 CB VAL A 143 1.587 7.031 -1.226 1.00 0.00 C ATOM 898 CG1 VAL A 143 2.593 8.128 -0.913 1.00 0.00 C ATOM 899 CG2 VAL A 143 1.978 5.728 -0.546 1.00 0.00 C ATOM 0 H VAL A 143 -1.191 6.999 -2.326 1.00 0.00 H new ATOM 0 HA VAL A 143 0.064 7.316 0.275 1.00 0.00 H new ATOM 0 HB VAL A 143 1.589 6.867 -2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 143 3.588 7.808 -1.221 1.00 0.00 H new ATOM 0 HG12 VAL A 143 2.321 9.036 -1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 143 2.592 8.328 0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 143 2.982 5.441 -0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 143 1.959 5.862 0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 143 1.273 4.945 -0.827 1.00 0.00 H new ATOM 909 N SER A 144 -0.513 9.695 -0.161 1.00 0.00 N ATOM 910 CA SER A 144 -0.751 11.121 -0.354 1.00 0.00 C ATOM 911 C SER A 144 0.469 11.936 0.062 1.00 0.00 C ATOM 912 O SER A 144 1.140 11.615 1.043 1.00 0.00 O ATOM 913 CB SER A 144 -1.975 11.568 0.448 1.00 0.00 C ATOM 914 OG SER A 144 -3.134 10.856 0.049 1.00 0.00 O ATOM 0 H SER A 144 -0.750 9.350 0.769 1.00 0.00 H new ATOM 0 HA SER A 144 -0.937 11.293 -1.414 1.00 0.00 H new ATOM 0 HB2 SER A 144 -1.795 11.409 1.511 1.00 0.00 H new ATOM 0 HB3 SER A 144 -2.135 12.637 0.308 1.00 0.00 H new ATOM 0 HG SER A 144 -3.864 11.488 -0.119 1.00 0.00 H new ATOM 920 N PHE A 145 0.751 12.994 -0.691 1.00 0.00 N ATOM 921 CA PHE A 145 1.890 13.857 -0.403 1.00 0.00 C ATOM 922 C PHE A 145 1.426 15.240 0.045 1.00 0.00 C ATOM 923 O PHE A 145 0.416 15.753 -0.435 1.00 0.00 O ATOM 924 CB PHE A 145 2.787 13.982 -1.636 1.00 0.00 C ATOM 925 CG PHE A 145 3.788 12.870 -1.765 1.00 0.00 C ATOM 926 CD1 PHE A 145 5.022 12.954 -1.141 1.00 0.00 C ATOM 927 CD2 PHE A 145 3.495 11.740 -2.512 1.00 0.00 C ATOM 928 CE1 PHE A 145 5.945 11.931 -1.257 1.00 0.00 C ATOM 929 CE2 PHE A 145 4.414 10.714 -2.631 1.00 0.00 C ATOM 930 CZ PHE A 145 5.640 10.811 -2.004 1.00 0.00 C ATOM 0 H PHE A 145 0.206 13.274 -1.506 1.00 0.00 H new ATOM 0 HA PHE A 145 2.460 13.405 0.408 1.00 0.00 H new ATOM 0 HB2 PHE A 145 2.162 14.003 -2.529 1.00 0.00 H new ATOM 0 HB3 PHE A 145 3.317 14.934 -1.595 1.00 0.00 H new ATOM 0 HD1 PHE A 145 5.266 13.829 -0.557 1.00 0.00 H new ATOM 0 HD2 PHE A 145 2.538 11.660 -3.007 1.00 0.00 H new ATOM 0 HE1 PHE A 145 6.903 12.008 -0.764 1.00 0.00 H new ATOM 0 HE2 PHE A 145 4.173 9.837 -3.214 1.00 0.00 H new ATOM 0 HZ PHE A 145 6.360 10.011 -2.098 1.00 0.00 H new ATOM 940 N TYR A 146 2.171 15.836 0.969 1.00 0.00 N ATOM 941 CA TYR A 146 1.836 17.158 1.484 1.00 0.00 C ATOM 942 C TYR A 146 1.752 18.179 0.354 1.00 0.00 C ATOM 943 O TYR A 146 0.924 19.088 0.384 1.00 0.00 O ATOM 944 CB TYR A 146 2.874 17.606 2.514 1.00 0.00 C ATOM 945 CG TYR A 146 2.621 17.066 3.904 1.00 0.00 C ATOM 946 CD1 TYR A 146 2.574 15.698 4.141 1.00 0.00 C ATOM 947 CD2 TYR A 146 2.427 17.924 4.979 1.00 0.00 C ATOM 948 CE1 TYR A 146 2.342 15.200 5.409 1.00 0.00 C ATOM 949 CE2 TYR A 146 2.195 17.435 6.250 1.00 0.00 C ATOM 950 CZ TYR A 146 2.154 16.073 6.460 1.00 0.00 C ATOM 951 OH TYR A 146 1.922 15.582 7.725 1.00 0.00 O ATOM 0 H TYR A 146 3.011 15.425 1.377 1.00 0.00 H new ATOM 0 HA TYR A 146 0.860 17.095 1.965 1.00 0.00 H new ATOM 0 HB2 TYR A 146 3.862 17.287 2.184 1.00 0.00 H new ATOM 0 HB3 TYR A 146 2.888 18.695 2.553 1.00 0.00 H new ATOM 0 HD1 TYR A 146 2.721 15.012 3.320 1.00 0.00 H new ATOM 0 HD2 TYR A 146 2.458 18.992 4.818 1.00 0.00 H new ATOM 0 HE1 TYR A 146 2.308 14.134 5.576 1.00 0.00 H new ATOM 0 HE2 TYR A 146 2.047 18.116 7.075 1.00 0.00 H new ATOM 0 HH TYR A 146 1.812 16.328 8.351 1.00 0.00 H new ATOM 961 N ASN A 147 2.616 18.020 -0.643 1.00 0.00 N ATOM 962 CA ASN A 147 2.641 18.927 -1.785 1.00 0.00 C ATOM 963 C ASN A 147 2.551 18.153 -3.097 1.00 0.00 C ATOM 964 O ASN A 147 2.476 16.925 -3.102 1.00 0.00 O ATOM 965 CB ASN A 147 3.917 19.772 -1.765 1.00 0.00 C ATOM 966 CG ASN A 147 5.082 19.044 -1.121 1.00 0.00 C ATOM 967 OD1 ASN A 147 6.108 18.807 -1.758 1.00 0.00 O ATOM 968 ND2 ASN A 147 4.926 18.685 0.148 1.00 0.00 N ATOM 0 H ASN A 147 3.308 17.272 -0.683 1.00 0.00 H new ATOM 0 HA ASN A 147 1.776 19.586 -1.712 1.00 0.00 H new ATOM 0 HB2 ASN A 147 4.183 20.047 -2.785 1.00 0.00 H new ATOM 0 HB3 ASN A 147 3.727 20.699 -1.224 1.00 0.00 H new ATOM 0 HD21 ASN A 147 5.675 18.192 0.634 1.00 0.00 H new ATOM 0 HD22 ASN A 147 4.057 18.903 0.637 1.00 0.00 H new ATOM 975 N LYS A 148 2.559 18.881 -4.208 1.00 0.00 N ATOM 976 CA LYS A 148 2.481 18.265 -5.527 1.00 0.00 C ATOM 977 C LYS A 148 3.868 17.883 -6.033 1.00 0.00 C ATOM 978 O LYS A 148 4.054 16.815 -6.619 1.00 0.00 O ATOM 979 CB LYS A 148 1.809 19.218 -6.519 1.00 0.00 C ATOM 980 CG LYS A 148 1.643 18.630 -7.910 1.00 0.00 C ATOM 981 CD LYS A 148 0.647 19.427 -8.736 1.00 0.00 C ATOM 982 CE LYS A 148 0.122 18.616 -9.910 1.00 0.00 C ATOM 983 NZ LYS A 148 -0.315 19.487 -11.036 1.00 0.00 N ATOM 0 H LYS A 148 2.619 19.899 -4.221 1.00 0.00 H new ATOM 0 HA LYS A 148 1.883 17.358 -5.441 1.00 0.00 H new ATOM 0 HB2 LYS A 148 0.829 19.499 -6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 148 2.399 20.132 -6.588 1.00 0.00 H new ATOM 0 HG2 LYS A 148 2.608 18.614 -8.417 1.00 0.00 H new ATOM 0 HG3 LYS A 148 1.307 17.596 -7.831 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -0.186 19.736 -8.105 1.00 0.00 H new ATOM 0 HD3 LYS A 148 1.123 20.336 -9.104 1.00 0.00 H new ATOM 0 HE2 LYS A 148 0.900 17.936 -10.258 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -0.716 18.001 -9.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -0.666 18.896 -11.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -1.075 20.119 -10.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 0.490 20.056 -11.368 1.00 0.00 H new ATOM 997 N LEU A 149 4.839 18.760 -5.803 1.00 0.00 N ATOM 998 CA LEU A 149 6.211 18.513 -6.234 1.00 0.00 C ATOM 999 C LEU A 149 6.700 17.155 -5.742 1.00 0.00 C ATOM 1000 O LEU A 149 6.968 16.255 -6.539 1.00 0.00 O ATOM 1001 CB LEU A 149 7.134 19.618 -5.717 1.00 0.00 C ATOM 1002 CG LEU A 149 8.607 19.499 -6.110 1.00 0.00 C ATOM 1003 CD1 LEU A 149 8.773 19.650 -7.615 1.00 0.00 C ATOM 1004 CD2 LEU A 149 9.441 20.537 -5.373 1.00 0.00 C ATOM 0 H LEU A 149 4.702 19.648 -5.321 1.00 0.00 H new ATOM 0 HA LEU A 149 6.230 18.512 -7.324 1.00 0.00 H new ATOM 0 HB2 LEU A 149 6.759 20.576 -6.077 1.00 0.00 H new ATOM 0 HB3 LEU A 149 7.069 19.639 -4.629 1.00 0.00 H new ATOM 0 HG LEU A 149 8.960 18.508 -5.824 1.00 0.00 H new ATOM 0 HD11 LEU A 149 9.828 19.562 -7.875 1.00 0.00 H new ATOM 0 HD12 LEU A 149 8.208 18.869 -8.124 1.00 0.00 H new ATOM 0 HD13 LEU A 149 8.403 20.627 -7.926 1.00 0.00 H new ATOM 0 HD21 LEU A 149 10.486 20.438 -5.665 1.00 0.00 H new ATOM 0 HD22 LEU A 149 9.087 21.536 -5.627 1.00 0.00 H new ATOM 0 HD23 LEU A 149 9.348 20.382 -4.298 1.00 0.00 H new ATOM 1016 N ASP A 150 6.812 17.012 -4.426 1.00 0.00 N ATOM 1017 CA ASP A 150 7.266 15.762 -3.828 1.00 0.00 C ATOM 1018 C ASP A 150 6.597 14.565 -4.498 1.00 0.00 C ATOM 1019 O ASP A 150 7.269 13.643 -4.957 1.00 0.00 O ATOM 1020 CB ASP A 150 6.971 15.753 -2.328 1.00 0.00 C ATOM 1021 CG ASP A 150 5.548 16.171 -2.014 1.00 0.00 C ATOM 1022 OD1 ASP A 150 4.856 16.658 -2.934 1.00 0.00 O ATOM 1023 OD2 ASP A 150 5.125 16.011 -0.851 1.00 0.00 O ATOM 0 H ASP A 150 6.594 17.747 -3.753 1.00 0.00 H new ATOM 0 HA ASP A 150 8.343 15.685 -3.979 1.00 0.00 H new ATOM 0 HB2 ASP A 150 7.148 14.753 -1.932 1.00 0.00 H new ATOM 0 HB3 ASP A 150 7.664 16.424 -1.821 1.00 0.00 H new ATOM 1028 N ALA A 151 5.269 14.587 -4.547 1.00 0.00 N ATOM 1029 CA ALA A 151 4.509 13.505 -5.160 1.00 0.00 C ATOM 1030 C ALA A 151 4.966 13.258 -6.594 1.00 0.00 C ATOM 1031 O ALA A 151 5.367 12.148 -6.944 1.00 0.00 O ATOM 1032 CB ALA A 151 3.021 13.819 -5.126 1.00 0.00 C ATOM 0 H ALA A 151 4.697 15.343 -4.169 1.00 0.00 H new ATOM 0 HA ALA A 151 4.690 12.596 -4.586 1.00 0.00 H new ATOM 0 HB1 ALA A 151 2.466 13.002 -5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 151 2.698 13.939 -4.092 1.00 0.00 H new ATOM 0 HB3 ALA A 151 2.831 14.742 -5.674 1.00 0.00 H new ATOM 1038 N GLU A 152 4.902 14.298 -7.419 1.00 0.00 N ATOM 1039 CA GLU A 152 5.308 14.192 -8.815 1.00 0.00 C ATOM 1040 C GLU A 152 6.647 13.470 -8.939 1.00 0.00 C ATOM 1041 O GLU A 152 6.804 12.567 -9.760 1.00 0.00 O ATOM 1042 CB GLU A 152 5.405 15.581 -9.449 1.00 0.00 C ATOM 1043 CG GLU A 152 4.109 16.049 -10.090 1.00 0.00 C ATOM 1044 CD GLU A 152 4.148 17.513 -10.482 1.00 0.00 C ATOM 1045 OE1 GLU A 152 4.856 18.289 -9.806 1.00 0.00 O ATOM 1046 OE2 GLU A 152 3.472 17.883 -11.465 1.00 0.00 O ATOM 0 H GLU A 152 4.573 15.224 -7.145 1.00 0.00 H new ATOM 0 HA GLU A 152 4.551 13.612 -9.343 1.00 0.00 H new ATOM 0 HB2 GLU A 152 5.703 16.300 -8.686 1.00 0.00 H new ATOM 0 HB3 GLU A 152 6.192 15.573 -10.204 1.00 0.00 H new ATOM 0 HG2 GLU A 152 3.907 15.445 -10.975 1.00 0.00 H new ATOM 0 HG3 GLU A 152 3.285 15.884 -9.396 1.00 0.00 H new ATOM 1053 N ASN A 153 7.610 13.876 -8.117 1.00 0.00 N ATOM 1054 CA ASN A 153 8.936 13.270 -8.134 1.00 0.00 C ATOM 1055 C ASN A 153 8.839 11.748 -8.075 1.00 0.00 C ATOM 1056 O ASN A 153 9.376 11.048 -8.934 1.00 0.00 O ATOM 1057 CB ASN A 153 9.770 13.785 -6.960 1.00 0.00 C ATOM 1058 CG ASN A 153 10.416 15.125 -7.254 1.00 0.00 C ATOM 1059 OD1 ASN A 153 10.352 15.625 -8.377 1.00 0.00 O ATOM 1060 ND2 ASN A 153 11.044 15.713 -6.242 1.00 0.00 N ATOM 0 H ASN A 153 7.496 14.622 -7.431 1.00 0.00 H new ATOM 0 HA ASN A 153 9.424 13.549 -9.068 1.00 0.00 H new ATOM 0 HB2 ASN A 153 9.135 13.876 -6.079 1.00 0.00 H new ATOM 0 HB3 ASN A 153 10.544 13.056 -6.720 1.00 0.00 H new ATOM 0 HD21 ASN A 153 11.498 16.616 -6.379 1.00 0.00 H new ATOM 0 HD22 ASN A 153 11.072 15.262 -5.328 1.00 0.00 H new ATOM 1067 N ALA A 154 8.150 11.243 -7.057 1.00 0.00 N ATOM 1068 CA ALA A 154 7.981 9.806 -6.887 1.00 0.00 C ATOM 1069 C ALA A 154 7.336 9.180 -8.119 1.00 0.00 C ATOM 1070 O ALA A 154 7.926 8.315 -8.768 1.00 0.00 O ATOM 1071 CB ALA A 154 7.147 9.515 -5.648 1.00 0.00 C ATOM 0 H ALA A 154 7.700 11.809 -6.337 1.00 0.00 H new ATOM 0 HA ALA A 154 8.968 9.362 -6.760 1.00 0.00 H new ATOM 0 HB1 ALA A 154 7.029 8.437 -5.534 1.00 0.00 H new ATOM 0 HB2 ALA A 154 7.648 9.920 -4.769 1.00 0.00 H new ATOM 0 HB3 ALA A 154 6.166 9.978 -5.753 1.00 0.00 H new ATOM 1077 N ILE A 155 6.124 9.622 -8.436 1.00 0.00 N ATOM 1078 CA ILE A 155 5.401 9.104 -9.591 1.00 0.00 C ATOM 1079 C ILE A 155 6.339 8.878 -10.771 1.00 0.00 C ATOM 1080 O ILE A 155 6.195 7.908 -11.516 1.00 0.00 O ATOM 1081 CB ILE A 155 4.272 10.060 -10.023 1.00 0.00 C ATOM 1082 CG1 ILE A 155 3.150 10.062 -8.983 1.00 0.00 C ATOM 1083 CG2 ILE A 155 3.735 9.662 -11.390 1.00 0.00 C ATOM 1084 CD1 ILE A 155 2.123 11.150 -9.205 1.00 0.00 C ATOM 0 H ILE A 155 5.622 10.337 -7.910 1.00 0.00 H new ATOM 0 HA ILE A 155 4.965 8.152 -9.289 1.00 0.00 H new ATOM 0 HB ILE A 155 4.677 11.069 -10.094 1.00 0.00 H new ATOM 0 HG12 ILE A 155 2.650 9.093 -8.997 1.00 0.00 H new ATOM 0 HG13 ILE A 155 3.585 10.181 -7.991 1.00 0.00 H new ATOM 0 HG21 ILE A 155 2.938 10.346 -11.681 1.00 0.00 H new ATOM 0 HG22 ILE A 155 4.539 9.708 -12.124 1.00 0.00 H new ATOM 0 HG23 ILE A 155 3.342 8.646 -11.345 1.00 0.00 H new ATOM 0 HD11 ILE A 155 1.358 11.091 -8.431 1.00 0.00 H new ATOM 0 HD12 ILE A 155 2.610 12.124 -9.161 1.00 0.00 H new ATOM 0 HD13 ILE A 155 1.660 11.019 -10.183 1.00 0.00 H new ATOM 1096 N VAL A 156 7.303 9.778 -10.935 1.00 0.00 N ATOM 1097 CA VAL A 156 8.268 9.675 -12.023 1.00 0.00 C ATOM 1098 C VAL A 156 9.337 8.633 -11.713 1.00 0.00 C ATOM 1099 O VAL A 156 9.640 7.773 -12.541 1.00 0.00 O ATOM 1100 CB VAL A 156 8.951 11.028 -12.298 1.00 0.00 C ATOM 1101 CG1 VAL A 156 9.974 10.893 -13.415 1.00 0.00 C ATOM 1102 CG2 VAL A 156 7.914 12.088 -12.639 1.00 0.00 C ATOM 0 H VAL A 156 7.437 10.587 -10.328 1.00 0.00 H new ATOM 0 HA VAL A 156 7.713 9.370 -12.910 1.00 0.00 H new ATOM 0 HB VAL A 156 9.475 11.341 -11.395 1.00 0.00 H new ATOM 0 HG11 VAL A 156 10.446 11.859 -13.595 1.00 0.00 H new ATOM 0 HG12 VAL A 156 10.733 10.166 -13.127 1.00 0.00 H new ATOM 0 HG13 VAL A 156 9.477 10.557 -14.325 1.00 0.00 H new ATOM 0 HG21 VAL A 156 8.414 13.038 -12.830 1.00 0.00 H new ATOM 0 HG22 VAL A 156 7.361 11.783 -13.528 1.00 0.00 H new ATOM 0 HG23 VAL A 156 7.223 12.203 -11.804 1.00 0.00 H new ATOM 1112 N HIS A 157 9.905 8.715 -10.514 1.00 0.00 N ATOM 1113 CA HIS A 157 10.940 7.777 -10.094 1.00 0.00 C ATOM 1114 C HIS A 157 10.334 6.424 -9.735 1.00 0.00 C ATOM 1115 O HIS A 157 10.634 5.412 -10.368 1.00 0.00 O ATOM 1116 CB HIS A 157 11.710 8.338 -8.897 1.00 0.00 C ATOM 1117 CG HIS A 157 12.650 9.446 -9.255 1.00 0.00 C ATOM 1118 ND1 HIS A 157 13.915 9.227 -9.759 1.00 0.00 N ATOM 1119 CD2 HIS A 157 12.503 10.790 -9.183 1.00 0.00 C ATOM 1120 CE1 HIS A 157 14.507 10.388 -9.978 1.00 0.00 C ATOM 1121 NE2 HIS A 157 13.671 11.352 -9.638 1.00 0.00 N ATOM 0 H HIS A 157 9.666 9.420 -9.817 1.00 0.00 H new ATOM 0 HA HIS A 157 11.629 7.637 -10.927 1.00 0.00 H new ATOM 0 HB2 HIS A 157 10.998 8.702 -8.156 1.00 0.00 H new ATOM 0 HB3 HIS A 157 12.274 7.532 -8.428 1.00 0.00 H new ATOM 0 HD2 HIS A 157 11.630 11.321 -8.833 1.00 0.00 H new ATOM 0 HE1 HIS A 157 15.505 10.525 -10.369 1.00 0.00 H new ATOM 0 HE2 HIS A 157 13.862 12.352 -9.703 1.00 0.00 H new ATOM 1130 N MET A 158 9.482 6.414 -8.716 1.00 0.00 N ATOM 1131 CA MET A 158 8.834 5.184 -8.274 1.00 0.00 C ATOM 1132 C MET A 158 8.307 4.389 -9.464 1.00 0.00 C ATOM 1133 O MET A 158 8.522 3.181 -9.560 1.00 0.00 O ATOM 1134 CB MET A 158 7.688 5.504 -7.312 1.00 0.00 C ATOM 1135 CG MET A 158 8.152 5.842 -5.905 1.00 0.00 C ATOM 1136 SD MET A 158 8.638 4.383 -4.964 1.00 0.00 S ATOM 1137 CE MET A 158 10.388 4.307 -5.337 1.00 0.00 C ATOM 0 H MET A 158 9.224 7.243 -8.181 1.00 0.00 H new ATOM 0 HA MET A 158 9.576 4.578 -7.755 1.00 0.00 H new ATOM 0 HB2 MET A 158 7.115 6.343 -7.708 1.00 0.00 H new ATOM 0 HB3 MET A 158 7.013 4.650 -7.268 1.00 0.00 H new ATOM 0 HG2 MET A 158 8.995 6.531 -5.960 1.00 0.00 H new ATOM 0 HG3 MET A 158 7.351 6.360 -5.377 1.00 0.00 H new ATOM 0 HE1 MET A 158 10.634 3.320 -5.727 1.00 0.00 H new ATOM 0 HE2 MET A 158 10.634 5.064 -6.082 1.00 0.00 H new ATOM 0 HE3 MET A 158 10.962 4.492 -4.429 1.00 0.00 H new ATOM 1147 N GLY A 159 7.617 5.075 -10.370 1.00 0.00 N ATOM 1148 CA GLY A 159 7.070 4.416 -11.542 1.00 0.00 C ATOM 1149 C GLY A 159 8.015 3.379 -12.117 1.00 0.00 C ATOM 1150 O GLY A 159 8.901 3.705 -12.906 1.00 0.00 O ATOM 0 H GLY A 159 7.427 6.076 -10.313 1.00 0.00 H new ATOM 0 HA2 GLY A 159 6.127 3.937 -11.279 1.00 0.00 H new ATOM 0 HA3 GLY A 159 6.847 5.163 -12.304 1.00 0.00 H new ATOM 1154 N GLY A 160 7.826 2.124 -11.720 1.00 0.00 N ATOM 1155 CA GLY A 160 8.677 1.055 -12.210 1.00 0.00 C ATOM 1156 C GLY A 160 9.806 0.728 -11.252 1.00 0.00 C ATOM 1157 O GLY A 160 10.256 -0.415 -11.182 1.00 0.00 O ATOM 0 H GLY A 160 7.099 1.829 -11.068 1.00 0.00 H new ATOM 0 HA2 GLY A 160 8.075 0.162 -12.375 1.00 0.00 H new ATOM 0 HA3 GLY A 160 9.095 1.341 -13.175 1.00 0.00 H new ATOM 1161 N GLN A 161 10.265 1.734 -10.515 1.00 0.00 N ATOM 1162 CA GLN A 161 11.350 1.547 -9.559 1.00 0.00 C ATOM 1163 C GLN A 161 11.226 0.203 -8.851 1.00 0.00 C ATOM 1164 O GLN A 161 10.143 -0.378 -8.787 1.00 0.00 O ATOM 1165 CB GLN A 161 11.354 2.680 -8.532 1.00 0.00 C ATOM 1166 CG GLN A 161 12.713 2.920 -7.895 1.00 0.00 C ATOM 1167 CD GLN A 161 12.932 2.078 -6.653 1.00 0.00 C ATOM 1168 OE1 GLN A 161 12.074 1.283 -6.269 1.00 0.00 O ATOM 1169 NE2 GLN A 161 14.086 2.249 -6.018 1.00 0.00 N ATOM 0 H GLN A 161 9.903 2.686 -10.561 1.00 0.00 H new ATOM 0 HA GLN A 161 12.291 1.561 -10.109 1.00 0.00 H new ATOM 0 HB2 GLN A 161 11.022 3.599 -9.016 1.00 0.00 H new ATOM 0 HB3 GLN A 161 10.630 2.452 -7.749 1.00 0.00 H new ATOM 0 HG2 GLN A 161 13.495 2.699 -8.622 1.00 0.00 H new ATOM 0 HG3 GLN A 161 12.807 3.975 -7.636 1.00 0.00 H new ATOM 0 HE21 GLN A 161 14.768 2.919 -6.372 1.00 0.00 H new ATOM 0 HE22 GLN A 161 14.290 1.710 -5.176 1.00 0.00 H new ATOM 1178 N TRP A 162 12.341 -0.286 -8.321 1.00 0.00 N ATOM 1179 CA TRP A 162 12.357 -1.563 -7.617 1.00 0.00 C ATOM 1180 C TRP A 162 12.386 -1.353 -6.107 1.00 0.00 C ATOM 1181 O TRP A 162 13.451 -1.172 -5.516 1.00 0.00 O ATOM 1182 CB TRP A 162 13.565 -2.394 -8.052 1.00 0.00 C ATOM 1183 CG TRP A 162 13.490 -2.850 -9.478 1.00 0.00 C ATOM 1184 CD1 TRP A 162 13.880 -2.150 -10.583 1.00 0.00 C ATOM 1185 CD2 TRP A 162 12.994 -4.107 -9.950 1.00 0.00 C ATOM 1186 NE1 TRP A 162 13.656 -2.896 -11.715 1.00 0.00 N ATOM 1187 CE2 TRP A 162 13.113 -4.101 -11.354 1.00 0.00 C ATOM 1188 CE3 TRP A 162 12.462 -5.237 -9.325 1.00 0.00 C ATOM 1189 CZ2 TRP A 162 12.719 -5.181 -12.139 1.00 0.00 C ATOM 1190 CZ3 TRP A 162 12.071 -6.308 -10.105 1.00 0.00 C ATOM 1191 CH2 TRP A 162 12.201 -6.274 -11.500 1.00 0.00 C ATOM 0 H TRP A 162 13.246 0.182 -8.365 1.00 0.00 H new ATOM 0 HA TRP A 162 11.444 -2.101 -7.872 1.00 0.00 H new ATOM 0 HB2 TRP A 162 14.471 -1.804 -7.914 1.00 0.00 H new ATOM 0 HB3 TRP A 162 13.650 -3.266 -7.403 1.00 0.00 H new ATOM 0 HD1 TRP A 162 14.302 -1.156 -10.570 1.00 0.00 H new ATOM 0 HE1 TRP A 162 13.861 -2.601 -12.670 1.00 0.00 H new ATOM 0 HE3 TRP A 162 12.358 -5.273 -8.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 162 12.819 -5.157 -13.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 162 11.658 -7.187 -9.632 1.00 0.00 H new ATOM 0 HH2 TRP A 162 11.886 -7.128 -12.082 1.00 0.00 H new ATOM 1202 N LEU A 163 11.211 -1.377 -5.488 1.00 0.00 N ATOM 1203 CA LEU A 163 11.102 -1.189 -4.045 1.00 0.00 C ATOM 1204 C LEU A 163 11.170 -2.526 -3.315 1.00 0.00 C ATOM 1205 O LEU A 163 12.154 -2.828 -2.642 1.00 0.00 O ATOM 1206 CB LEU A 163 9.795 -0.472 -3.702 1.00 0.00 C ATOM 1207 CG LEU A 163 9.695 0.101 -2.288 1.00 0.00 C ATOM 1208 CD1 LEU A 163 8.389 0.859 -2.110 1.00 0.00 C ATOM 1209 CD2 LEU A 163 9.815 -1.009 -1.253 1.00 0.00 C ATOM 0 H LEU A 163 10.320 -1.525 -5.962 1.00 0.00 H new ATOM 0 HA LEU A 163 11.942 -0.576 -3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 163 9.653 0.342 -4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 163 8.971 -1.171 -3.848 1.00 0.00 H new ATOM 0 HG LEU A 163 10.519 0.799 -2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 163 8.336 1.259 -1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 163 8.343 1.678 -2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 163 7.550 0.183 -2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 163 9.742 -0.583 -0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 163 9.012 -1.731 -1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 163 10.777 -1.508 -1.365 1.00 0.00 H new ATOM 1221 N GLY A 164 10.116 -3.325 -3.455 1.00 0.00 N ATOM 1222 CA GLY A 164 10.077 -4.622 -2.805 1.00 0.00 C ATOM 1223 C GLY A 164 9.986 -5.765 -3.796 1.00 0.00 C ATOM 1224 O GLY A 164 9.008 -5.880 -4.534 1.00 0.00 O ATOM 0 H GLY A 164 9.289 -3.097 -4.007 1.00 0.00 H new ATOM 0 HA2 GLY A 164 10.971 -4.746 -2.194 1.00 0.00 H new ATOM 0 HA3 GLY A 164 9.222 -4.661 -2.130 1.00 0.00 H new ATOM 1228 N GLY A 165 11.010 -6.613 -3.815 1.00 0.00 N ATOM 1229 CA GLY A 165 11.022 -7.741 -4.729 1.00 0.00 C ATOM 1230 C GLY A 165 10.794 -7.324 -6.168 1.00 0.00 C ATOM 1231 O GLY A 165 11.742 -7.007 -6.887 1.00 0.00 O ATOM 0 H GLY A 165 11.831 -6.539 -3.214 1.00 0.00 H new ATOM 0 HA2 GLY A 165 11.979 -8.258 -4.651 1.00 0.00 H new ATOM 0 HA3 GLY A 165 10.251 -8.452 -4.434 1.00 0.00 H new ATOM 1235 N ARG A 166 9.534 -7.324 -6.590 1.00 0.00 N ATOM 1236 CA ARG A 166 9.184 -6.946 -7.954 1.00 0.00 C ATOM 1237 C ARG A 166 9.107 -5.428 -8.094 1.00 0.00 C ATOM 1238 O ARG A 166 9.306 -4.695 -7.125 1.00 0.00 O ATOM 1239 CB ARG A 166 7.848 -7.574 -8.353 1.00 0.00 C ATOM 1240 CG ARG A 166 7.884 -9.092 -8.418 1.00 0.00 C ATOM 1241 CD ARG A 166 6.521 -9.695 -8.114 1.00 0.00 C ATOM 1242 NE ARG A 166 6.353 -11.007 -8.733 1.00 0.00 N ATOM 1243 CZ ARG A 166 5.454 -11.899 -8.331 1.00 0.00 C ATOM 1244 NH1 ARG A 166 4.646 -11.621 -7.317 1.00 0.00 N ATOM 1245 NH2 ARG A 166 5.362 -13.072 -8.945 1.00 0.00 N ATOM 0 H ARG A 166 8.738 -7.582 -6.007 1.00 0.00 H new ATOM 0 HA ARG A 166 9.964 -7.316 -8.619 1.00 0.00 H new ATOM 0 HB2 ARG A 166 7.084 -7.267 -7.638 1.00 0.00 H new ATOM 0 HB3 ARG A 166 7.549 -7.184 -9.326 1.00 0.00 H new ATOM 0 HG2 ARG A 166 8.210 -9.407 -9.409 1.00 0.00 H new ATOM 0 HG3 ARG A 166 8.618 -9.471 -7.706 1.00 0.00 H new ATOM 0 HD2 ARG A 166 6.397 -9.785 -7.035 1.00 0.00 H new ATOM 0 HD3 ARG A 166 5.740 -9.023 -8.470 1.00 0.00 H new ATOM 0 HE ARG A 166 6.959 -11.252 -9.516 1.00 0.00 H new ATOM 0 HH11 ARG A 166 4.714 -10.720 -6.843 1.00 0.00 H new ATOM 0 HH12 ARG A 166 3.957 -12.308 -7.011 1.00 0.00 H new ATOM 0 HH21 ARG A 166 5.982 -13.289 -9.726 1.00 0.00 H new ATOM 0 HH22 ARG A 166 4.672 -13.757 -8.636 1.00 0.00 H new ATOM 1259 N GLN A 167 8.818 -4.965 -9.306 1.00 0.00 N ATOM 1260 CA GLN A 167 8.717 -3.535 -9.572 1.00 0.00 C ATOM 1261 C GLN A 167 7.358 -2.995 -9.137 1.00 0.00 C ATOM 1262 O GLN A 167 6.501 -3.747 -8.672 1.00 0.00 O ATOM 1263 CB GLN A 167 8.938 -3.255 -11.060 1.00 0.00 C ATOM 1264 CG GLN A 167 10.352 -3.552 -11.531 1.00 0.00 C ATOM 1265 CD GLN A 167 10.527 -3.339 -13.022 1.00 0.00 C ATOM 1266 OE1 GLN A 167 10.594 -4.297 -13.793 1.00 0.00 O ATOM 1267 NE2 GLN A 167 10.601 -2.080 -13.436 1.00 0.00 N ATOM 0 H GLN A 167 8.650 -5.559 -10.118 1.00 0.00 H new ATOM 0 HA GLN A 167 9.490 -3.028 -8.995 1.00 0.00 H new ATOM 0 HB2 GLN A 167 8.237 -3.853 -11.642 1.00 0.00 H new ATOM 0 HB3 GLN A 167 8.709 -2.209 -11.262 1.00 0.00 H new ATOM 0 HG2 GLN A 167 11.052 -2.914 -10.992 1.00 0.00 H new ATOM 0 HG3 GLN A 167 10.605 -4.583 -11.283 1.00 0.00 H new ATOM 0 HE21 GLN A 167 10.541 -1.317 -12.762 1.00 0.00 H new ATOM 0 HE22 GLN A 167 10.718 -1.876 -14.428 1.00 0.00 H new ATOM 1276 N ILE A 168 7.169 -1.689 -9.291 1.00 0.00 N ATOM 1277 CA ILE A 168 5.914 -1.050 -8.915 1.00 0.00 C ATOM 1278 C ILE A 168 5.475 -0.039 -9.969 1.00 0.00 C ATOM 1279 O ILE A 168 6.231 0.287 -10.884 1.00 0.00 O ATOM 1280 CB ILE A 168 6.031 -0.338 -7.554 1.00 0.00 C ATOM 1281 CG1 ILE A 168 7.328 0.471 -7.487 1.00 0.00 C ATOM 1282 CG2 ILE A 168 5.972 -1.351 -6.420 1.00 0.00 C ATOM 1283 CD1 ILE A 168 7.320 1.536 -6.413 1.00 0.00 C ATOM 0 H ILE A 168 7.869 -1.053 -9.673 1.00 0.00 H new ATOM 0 HA ILE A 168 5.167 -1.840 -8.840 1.00 0.00 H new ATOM 0 HB ILE A 168 5.191 0.348 -7.446 1.00 0.00 H new ATOM 0 HG12 ILE A 168 8.162 -0.208 -7.308 1.00 0.00 H new ATOM 0 HG13 ILE A 168 7.503 0.943 -8.454 1.00 0.00 H new ATOM 0 HG21 ILE A 168 6.056 -0.833 -5.465 1.00 0.00 H new ATOM 0 HG22 ILE A 168 5.024 -1.887 -6.460 1.00 0.00 H new ATOM 0 HG23 ILE A 168 6.794 -2.060 -6.522 1.00 0.00 H new ATOM 0 HD11 ILE A 168 8.270 2.070 -6.423 1.00 0.00 H new ATOM 0 HD12 ILE A 168 6.508 2.238 -6.602 1.00 0.00 H new ATOM 0 HD13 ILE A 168 7.176 1.069 -5.439 1.00 0.00 H new ATOM 1295 N ARG A 169 4.249 0.455 -9.832 1.00 0.00 N ATOM 1296 CA ARG A 169 3.708 1.430 -10.772 1.00 0.00 C ATOM 1297 C ARG A 169 3.090 2.613 -10.032 1.00 0.00 C ATOM 1298 O ARG A 169 2.584 2.469 -8.919 1.00 0.00 O ATOM 1299 CB ARG A 169 2.660 0.775 -11.673 1.00 0.00 C ATOM 1300 CG ARG A 169 2.477 1.481 -13.007 1.00 0.00 C ATOM 1301 CD ARG A 169 1.060 1.315 -13.534 1.00 0.00 C ATOM 1302 NE ARG A 169 0.842 -0.011 -14.108 1.00 0.00 N ATOM 1303 CZ ARG A 169 1.175 -0.337 -15.351 1.00 0.00 C ATOM 1304 NH1 ARG A 169 1.739 0.560 -16.148 1.00 0.00 N ATOM 1305 NH2 ARG A 169 0.944 -1.564 -15.801 1.00 0.00 N ATOM 0 H ARG A 169 3.611 0.196 -9.079 1.00 0.00 H new ATOM 0 HA ARG A 169 4.529 1.797 -11.388 1.00 0.00 H new ATOM 0 HB2 ARG A 169 2.947 -0.261 -11.856 1.00 0.00 H new ATOM 0 HB3 ARG A 169 1.705 0.754 -11.149 1.00 0.00 H new ATOM 0 HG2 ARG A 169 2.702 2.541 -12.893 1.00 0.00 H new ATOM 0 HG3 ARG A 169 3.186 1.081 -13.732 1.00 0.00 H new ATOM 0 HD2 ARG A 169 0.350 1.481 -12.724 1.00 0.00 H new ATOM 0 HD3 ARG A 169 0.863 2.075 -14.291 1.00 0.00 H new ATOM 0 HE ARG A 169 0.410 -0.725 -13.521 1.00 0.00 H new ATOM 0 HH11 ARG A 169 1.918 1.504 -15.807 1.00 0.00 H new ATOM 0 HH12 ARG A 169 1.993 0.306 -17.102 1.00 0.00 H new ATOM 0 HH21 ARG A 169 0.510 -2.257 -15.192 1.00 0.00 H new ATOM 0 HH22 ARG A 169 1.200 -1.814 -16.756 1.00 0.00 H new ATOM 1319 N THR A 170 3.136 3.785 -10.659 1.00 0.00 N ATOM 1320 CA THR A 170 2.583 4.994 -10.061 1.00 0.00 C ATOM 1321 C THR A 170 1.600 5.674 -11.006 1.00 0.00 C ATOM 1322 O THR A 170 1.725 5.572 -12.225 1.00 0.00 O ATOM 1323 CB THR A 170 3.693 5.993 -9.685 1.00 0.00 C ATOM 1324 OG1 THR A 170 4.722 5.979 -10.681 1.00 0.00 O ATOM 1325 CG2 THR A 170 4.289 5.655 -8.327 1.00 0.00 C ATOM 0 H THR A 170 3.551 3.922 -11.581 1.00 0.00 H new ATOM 0 HA THR A 170 2.059 4.688 -9.156 1.00 0.00 H new ATOM 0 HB THR A 170 3.253 6.989 -9.632 1.00 0.00 H new ATOM 0 HG1 THR A 170 4.854 6.886 -11.028 1.00 0.00 H new ATOM 0 HG21 THR A 170 5.071 6.375 -8.083 1.00 0.00 H new ATOM 0 HG22 THR A 170 3.509 5.696 -7.567 1.00 0.00 H new ATOM 0 HG23 THR A 170 4.715 4.652 -8.356 1.00 0.00 H new ATOM 1333 N ASN A 171 0.623 6.371 -10.434 1.00 0.00 N ATOM 1334 CA ASN A 171 -0.383 7.069 -11.227 1.00 0.00 C ATOM 1335 C ASN A 171 -1.211 8.005 -10.352 1.00 0.00 C ATOM 1336 O ASN A 171 -1.343 7.791 -9.147 1.00 0.00 O ATOM 1337 CB ASN A 171 -1.299 6.064 -11.928 1.00 0.00 C ATOM 1338 CG ASN A 171 -2.257 6.731 -12.896 1.00 0.00 C ATOM 1339 OD1 ASN A 171 -3.475 6.630 -12.750 1.00 0.00 O ATOM 1340 ND2 ASN A 171 -1.709 7.419 -13.891 1.00 0.00 N ATOM 0 H ASN A 171 0.507 6.467 -9.425 1.00 0.00 H new ATOM 0 HA ASN A 171 0.133 7.665 -11.980 1.00 0.00 H new ATOM 0 HB2 ASN A 171 -0.691 5.337 -12.466 1.00 0.00 H new ATOM 0 HB3 ASN A 171 -1.868 5.512 -11.180 1.00 0.00 H new ATOM 0 HD21 ASN A 171 -2.303 7.891 -14.573 1.00 0.00 H new ATOM 0 HD22 ASN A 171 -0.694 7.476 -13.973 1.00 0.00 H new ATOM 1347 N TRP A 172 -1.767 9.042 -10.968 1.00 0.00 N ATOM 1348 CA TRP A 172 -2.584 10.011 -10.245 1.00 0.00 C ATOM 1349 C TRP A 172 -4.003 9.489 -10.050 1.00 0.00 C ATOM 1350 O TRP A 172 -4.753 9.328 -11.013 1.00 0.00 O ATOM 1351 CB TRP A 172 -2.616 11.343 -10.996 1.00 0.00 C ATOM 1352 CG TRP A 172 -1.274 12.003 -11.094 1.00 0.00 C ATOM 1353 CD1 TRP A 172 -0.423 11.977 -12.162 1.00 0.00 C ATOM 1354 CD2 TRP A 172 -0.628 12.785 -10.083 1.00 0.00 C ATOM 1355 NE1 TRP A 172 0.713 12.695 -11.876 1.00 0.00 N ATOM 1356 CE2 TRP A 172 0.611 13.202 -10.607 1.00 0.00 C ATOM 1357 CE3 TRP A 172 -0.977 13.175 -8.787 1.00 0.00 C ATOM 1358 CZ2 TRP A 172 1.501 13.987 -9.879 1.00 0.00 C ATOM 1359 CZ3 TRP A 172 -0.093 13.954 -8.065 1.00 0.00 C ATOM 1360 CH2 TRP A 172 1.134 14.355 -8.613 1.00 0.00 C ATOM 0 H TRP A 172 -1.668 9.234 -11.965 1.00 0.00 H new ATOM 0 HA TRP A 172 -2.136 10.166 -9.263 1.00 0.00 H new ATOM 0 HB2 TRP A 172 -3.005 11.176 -12.001 1.00 0.00 H new ATOM 0 HB3 TRP A 172 -3.309 12.018 -10.494 1.00 0.00 H new ATOM 0 HD1 TRP A 172 -0.615 11.467 -13.094 1.00 0.00 H new ATOM 0 HE1 TRP A 172 1.504 12.829 -12.506 1.00 0.00 H new ATOM 0 HE3 TRP A 172 -1.921 12.873 -8.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 2.447 14.295 -10.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 -0.351 14.259 -7.062 1.00 0.00 H new ATOM 0 HH2 TRP A 172 1.802 14.966 -8.025 1.00 0.00 H new ATOM 1371 N ALA A 173 -4.366 9.227 -8.799 1.00 0.00 N ATOM 1372 CA ALA A 173 -5.696 8.726 -8.478 1.00 0.00 C ATOM 1373 C ALA A 173 -6.778 9.613 -9.084 1.00 0.00 C ATOM 1374 O ALA A 173 -7.676 9.132 -9.776 1.00 0.00 O ATOM 1375 CB ALA A 173 -5.874 8.627 -6.970 1.00 0.00 C ATOM 0 H ALA A 173 -3.757 9.354 -7.991 1.00 0.00 H new ATOM 0 HA ALA A 173 -5.796 7.730 -8.910 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -6.872 8.251 -6.745 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -5.129 7.945 -6.560 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -5.748 9.613 -6.523 1.00 0.00 H new