USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 502 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 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.131) USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 145 MET CE :methyl 160:sc= -0.0163 (180deg=-0.606) USER MOD Single : A 160 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 166 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 199 N ILE A 106 -5.531 -2.088 -15.320 1.00 0.00 N ATOM 200 CA ILE A 106 -4.582 -2.122 -14.149 1.00 0.00 C ATOM 201 C ILE A 106 -3.055 -2.163 -14.538 1.00 0.00 C ATOM 202 O ILE A 106 -2.251 -1.548 -13.828 1.00 0.00 O ATOM 203 CB ILE A 106 -4.950 -3.223 -13.082 1.00 0.00 C ATOM 204 CG1 ILE A 106 -5.142 -4.659 -13.651 1.00 0.00 C ATOM 205 CG2 ILE A 106 -6.163 -2.774 -12.221 1.00 0.00 C ATOM 206 CD1 ILE A 106 -5.324 -5.785 -12.621 1.00 0.00 C ATOM 0 HA ILE A 106 -4.728 -1.154 -13.670 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.071 -3.308 -12.442 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -6.012 -4.653 -14.307 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.278 -4.899 -14.270 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -6.399 -3.549 -11.492 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -5.917 -1.849 -11.700 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.026 -2.608 -12.866 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.448 -6.736 -13.139 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -4.446 -5.835 -11.977 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.207 -5.584 -12.015 1.00 0.00 H new ATOM 218 N LEU A 107 -2.649 -2.819 -15.651 1.00 0.00 N ATOM 219 CA LEU A 107 -1.265 -2.702 -16.219 1.00 0.00 C ATOM 220 C LEU A 107 -0.936 -1.250 -16.706 1.00 0.00 C ATOM 221 O LEU A 107 0.139 -0.741 -16.384 1.00 0.00 O ATOM 222 CB LEU A 107 -1.069 -3.793 -17.317 1.00 0.00 C ATOM 223 CG LEU A 107 0.354 -4.108 -17.867 1.00 0.00 C ATOM 224 CD1 LEU A 107 0.954 -3.003 -18.755 1.00 0.00 C ATOM 225 CD2 LEU A 107 1.358 -4.542 -16.782 1.00 0.00 C ATOM 0 H LEU A 107 -3.257 -3.441 -16.183 1.00 0.00 H new ATOM 0 HA LEU A 107 -0.537 -2.888 -15.429 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.476 -4.724 -16.923 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.688 -3.509 -18.168 1.00 0.00 H new ATOM 0 HG LEU A 107 0.182 -4.968 -18.514 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.945 -3.306 -19.093 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.309 -2.840 -19.619 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.033 -2.079 -18.182 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.326 -4.744 -17.241 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.465 -3.745 -16.046 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.995 -5.444 -16.290 1.00 0.00 H new ATOM 237 N LYS A 108 -1.857 -0.583 -17.438 1.00 0.00 N ATOM 238 CA LYS A 108 -1.784 0.868 -17.749 1.00 0.00 C ATOM 239 C LYS A 108 -1.654 1.832 -16.531 1.00 0.00 C ATOM 240 O LYS A 108 -0.951 2.838 -16.632 1.00 0.00 O ATOM 241 CB LYS A 108 -3.104 1.131 -18.492 1.00 0.00 C ATOM 242 CG LYS A 108 -3.305 2.559 -19.036 1.00 0.00 C ATOM 243 CD LYS A 108 -4.778 2.836 -19.404 1.00 0.00 C ATOM 244 CE LYS A 108 -5.006 4.256 -19.949 1.00 0.00 C ATOM 245 NZ LYS A 108 -6.423 4.494 -20.278 1.00 0.00 N ATOM 0 H LYS A 108 -2.680 -1.038 -17.834 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.873 1.075 -18.310 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.172 0.433 -19.327 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -3.929 0.902 -17.817 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.976 3.281 -18.289 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -2.678 2.703 -19.916 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -5.103 2.110 -20.150 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -5.401 2.687 -18.522 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -4.677 4.986 -19.210 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -4.396 4.406 -20.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -6.537 5.461 -20.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -6.730 3.813 -21.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -7.003 4.376 -19.423 1.00 0.00 H new ATOM 259 N ALA A 109 -2.314 1.511 -15.402 1.00 0.00 N ATOM 260 CA ALA A 109 -2.116 2.194 -14.096 1.00 0.00 C ATOM 261 C ALA A 109 -0.698 2.008 -13.451 1.00 0.00 C ATOM 262 O ALA A 109 -0.132 2.964 -12.906 1.00 0.00 O ATOM 263 CB ALA A 109 -3.267 1.741 -13.201 1.00 0.00 C ATOM 0 H ALA A 109 -3.008 0.764 -15.364 1.00 0.00 H new ATOM 0 HA ALA A 109 -2.137 3.274 -14.243 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.175 2.213 -12.223 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -4.215 2.029 -13.654 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.234 0.658 -13.086 1.00 0.00 H new ATOM 269 N PHE A 110 -0.091 0.799 -13.516 1.00 0.00 N ATOM 270 CA PHE A 110 1.368 0.623 -13.224 1.00 0.00 C ATOM 271 C PHE A 110 2.240 1.522 -14.195 1.00 0.00 C ATOM 272 O PHE A 110 3.262 2.037 -13.744 1.00 0.00 O ATOM 273 CB PHE A 110 1.685 -0.894 -13.223 1.00 0.00 C ATOM 274 CG PHE A 110 3.179 -1.281 -13.193 1.00 0.00 C ATOM 275 CD1 PHE A 110 3.936 -1.292 -14.370 1.00 0.00 C ATOM 276 CD2 PHE A 110 3.820 -1.488 -11.973 1.00 0.00 C ATOM 277 CE1 PHE A 110 5.328 -1.384 -14.313 1.00 0.00 C ATOM 278 CE2 PHE A 110 5.213 -1.541 -11.911 1.00 0.00 C ATOM 279 CZ PHE A 110 5.967 -1.496 -13.081 1.00 0.00 C ATOM 0 H PHE A 110 -0.574 -0.064 -13.764 1.00 0.00 H new ATOM 0 HA PHE A 110 1.637 0.985 -12.232 1.00 0.00 H new ATOM 0 HB2 PHE A 110 1.198 -1.345 -12.359 1.00 0.00 H new ATOM 0 HB3 PHE A 110 1.234 -1.338 -14.111 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.441 -1.229 -15.328 1.00 0.00 H new ATOM 0 HD2 PHE A 110 3.236 -1.608 -11.072 1.00 0.00 H new ATOM 0 HE1 PHE A 110 5.909 -1.368 -15.224 1.00 0.00 H new ATOM 0 HE2 PHE A 110 5.707 -1.617 -10.954 1.00 0.00 H new ATOM 0 HZ PHE A 110 7.045 -1.548 -13.033 1.00 0.00 H new ATOM 289 N LYS A 111 1.841 1.716 -15.483 1.00 0.00 N ATOM 290 CA LYS A 111 2.404 2.770 -16.376 1.00 0.00 C ATOM 291 C LYS A 111 2.178 4.233 -15.873 1.00 0.00 C ATOM 292 O LYS A 111 3.034 5.080 -16.139 1.00 0.00 O ATOM 293 CB LYS A 111 1.772 2.671 -17.765 1.00 0.00 C ATOM 294 CG LYS A 111 2.222 1.416 -18.531 1.00 0.00 C ATOM 295 CD LYS A 111 1.691 1.385 -19.979 1.00 0.00 C ATOM 296 CE LYS A 111 2.167 0.157 -20.776 1.00 0.00 C ATOM 297 NZ LYS A 111 1.632 0.163 -22.150 1.00 0.00 N ATOM 0 H LYS A 111 1.122 1.148 -15.931 1.00 0.00 H new ATOM 0 HA LYS A 111 3.477 2.581 -16.390 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.686 2.662 -17.666 1.00 0.00 H new ATOM 0 HB3 LYS A 111 2.033 3.558 -18.343 1.00 0.00 H new ATOM 0 HG2 LYS A 111 3.311 1.375 -18.546 1.00 0.00 H new ATOM 0 HG3 LYS A 111 1.876 0.528 -18.002 1.00 0.00 H new ATOM 0 HD2 LYS A 111 0.601 1.397 -19.959 1.00 0.00 H new ATOM 0 HD3 LYS A 111 2.010 2.290 -20.495 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.256 0.143 -20.809 1.00 0.00 H new ATOM 0 HE3 LYS A 111 1.852 -0.753 -20.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 1.972 -0.678 -22.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 0.593 0.151 -22.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 1.953 1.020 -22.644 1.00 0.00 H new ATOM 311 N LEU A 112 1.063 4.538 -15.150 1.00 0.00 N ATOM 312 CA LEU A 112 0.897 5.817 -14.379 1.00 0.00 C ATOM 313 C LEU A 112 2.048 5.975 -13.337 1.00 0.00 C ATOM 314 O LEU A 112 2.581 7.087 -13.269 1.00 0.00 O ATOM 315 CB LEU A 112 -0.508 6.043 -13.727 1.00 0.00 C ATOM 316 CG LEU A 112 -1.694 6.179 -14.723 1.00 0.00 C ATOM 317 CD1 LEU A 112 -3.038 6.133 -13.977 1.00 0.00 C ATOM 318 CD2 LEU A 112 -1.628 7.454 -15.590 1.00 0.00 C ATOM 0 H LEU A 112 0.258 3.915 -15.082 1.00 0.00 H new ATOM 0 HA LEU A 112 0.962 6.609 -15.126 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.715 5.211 -13.054 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.465 6.944 -13.115 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.612 5.328 -15.400 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.855 6.230 -14.692 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -3.129 5.184 -13.449 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -3.084 6.953 -13.260 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.487 7.483 -16.261 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.641 8.333 -14.946 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.709 7.448 -16.177 1.00 0.00 H new ATOM 330 N PHE A 113 2.488 4.918 -12.579 1.00 0.00 N ATOM 331 CA PHE A 113 3.791 5.009 -11.846 1.00 0.00 C ATOM 332 C PHE A 113 4.965 5.191 -12.892 1.00 0.00 C ATOM 333 O PHE A 113 5.724 6.146 -12.768 1.00 0.00 O ATOM 334 CB PHE A 113 4.238 3.863 -10.872 1.00 0.00 C ATOM 335 CG PHE A 113 3.384 2.866 -10.044 1.00 0.00 C ATOM 336 CD1 PHE A 113 2.974 3.202 -8.744 1.00 0.00 C ATOM 337 CD2 PHE A 113 3.582 1.510 -10.349 1.00 0.00 C ATOM 338 CE1 PHE A 113 2.861 2.206 -7.761 1.00 0.00 C ATOM 339 CE2 PHE A 113 3.533 0.538 -9.348 1.00 0.00 C ATOM 340 CZ PHE A 113 3.144 0.890 -8.078 1.00 0.00 C ATOM 0 H PHE A 113 1.987 4.037 -12.464 1.00 0.00 H new ATOM 0 HA PHE A 113 3.595 5.853 -11.185 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.890 3.230 -11.475 1.00 0.00 H new ATOM 0 HB3 PHE A 113 4.869 4.360 -10.135 1.00 0.00 H new ATOM 0 HD1 PHE A 113 2.745 4.229 -8.500 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.774 1.215 -11.370 1.00 0.00 H new ATOM 0 HE1 PHE A 113 2.554 2.467 -6.759 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.799 -0.485 -9.571 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.058 0.129 -7.317 1.00 0.00 H new ATOM 350 N ASP A 114 5.096 4.309 -13.909 1.00 0.00 N ATOM 351 CA ASP A 114 6.273 4.244 -14.825 1.00 0.00 C ATOM 352 C ASP A 114 6.399 5.394 -15.893 1.00 0.00 C ATOM 353 O ASP A 114 6.527 5.133 -17.092 1.00 0.00 O ATOM 354 CB ASP A 114 6.219 2.808 -15.433 1.00 0.00 C ATOM 355 CG ASP A 114 7.532 2.282 -16.022 1.00 0.00 C ATOM 356 OD1 ASP A 114 8.356 1.733 -15.261 1.00 0.00 O ATOM 357 OD2 ASP A 114 7.738 2.407 -17.250 1.00 0.00 O ATOM 0 H ASP A 114 4.383 3.612 -14.125 1.00 0.00 H new ATOM 0 HA ASP A 114 7.190 4.425 -14.264 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.889 2.118 -14.657 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.460 2.794 -16.216 1.00 0.00 H new ATOM 422 N LYS A 120 10.444 -0.901 -14.604 1.00 0.00 N ATOM 423 CA LYS A 120 10.593 -0.911 -13.123 1.00 0.00 C ATOM 424 C LYS A 120 10.319 0.507 -12.555 1.00 0.00 C ATOM 425 O LYS A 120 10.454 1.519 -13.251 1.00 0.00 O ATOM 426 CB LYS A 120 12.011 -1.342 -12.697 1.00 0.00 C ATOM 427 CG LYS A 120 12.230 -2.856 -12.469 1.00 0.00 C ATOM 428 CD LYS A 120 12.284 -3.740 -13.737 1.00 0.00 C ATOM 429 CE LYS A 120 12.689 -5.210 -13.497 1.00 0.00 C ATOM 430 NZ LYS A 120 11.654 -5.998 -12.803 1.00 0.00 N ATOM 0 HA LYS A 120 9.873 -1.628 -12.728 1.00 0.00 H new ATOM 0 HB2 LYS A 120 12.714 -1.006 -13.460 1.00 0.00 H new ATOM 0 HB3 LYS A 120 12.265 -0.817 -11.776 1.00 0.00 H new ATOM 0 HG2 LYS A 120 13.163 -2.988 -11.920 1.00 0.00 H new ATOM 0 HG3 LYS A 120 11.429 -3.225 -11.829 1.00 0.00 H new ATOM 0 HD2 LYS A 120 11.304 -3.723 -14.214 1.00 0.00 H new ATOM 0 HD3 LYS A 120 12.989 -3.296 -14.440 1.00 0.00 H new ATOM 0 HE2 LYS A 120 12.910 -5.679 -14.456 1.00 0.00 H new ATOM 0 HE3 LYS A 120 13.608 -5.235 -12.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 11.989 -6.974 -12.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 11.459 -5.573 -11.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 10.783 -6.004 -13.371 1.00 0.00 H new ATOM 444 N ILE A 121 9.926 0.578 -11.266 1.00 0.00 N ATOM 445 CA ILE A 121 9.382 1.848 -10.652 1.00 0.00 C ATOM 446 C ILE A 121 10.028 2.235 -9.281 1.00 0.00 C ATOM 447 O ILE A 121 10.598 1.401 -8.573 1.00 0.00 O ATOM 448 CB ILE A 121 7.800 1.855 -10.616 1.00 0.00 C ATOM 449 CG1 ILE A 121 7.069 0.866 -9.675 1.00 0.00 C ATOM 450 CG2 ILE A 121 7.241 1.740 -12.061 1.00 0.00 C ATOM 451 CD1 ILE A 121 6.858 1.378 -8.246 1.00 0.00 C ATOM 0 H ILE A 121 9.967 -0.211 -10.620 1.00 0.00 H new ATOM 0 HA ILE A 121 9.691 2.649 -11.324 1.00 0.00 H new ATOM 0 HB ILE A 121 7.575 2.816 -10.153 1.00 0.00 H new ATOM 0 HG12 ILE A 121 6.098 0.625 -10.107 1.00 0.00 H new ATOM 0 HG13 ILE A 121 7.638 -0.063 -9.633 1.00 0.00 H new ATOM 0 HG21 ILE A 121 6.151 1.745 -12.031 1.00 0.00 H new ATOM 0 HG22 ILE A 121 7.592 2.584 -12.655 1.00 0.00 H new ATOM 0 HG23 ILE A 121 7.587 0.810 -12.512 1.00 0.00 H new ATOM 0 HD11 ILE A 121 6.339 0.619 -7.661 1.00 0.00 H new ATOM 0 HD12 ILE A 121 7.825 1.591 -7.789 1.00 0.00 H new ATOM 0 HD13 ILE A 121 6.260 2.289 -8.270 1.00 0.00 H new ATOM 463 N SER A 122 9.927 3.541 -8.938 1.00 0.00 N ATOM 464 CA SER A 122 10.631 4.164 -7.781 1.00 0.00 C ATOM 465 C SER A 122 9.650 4.785 -6.727 1.00 0.00 C ATOM 466 O SER A 122 8.507 5.131 -7.040 1.00 0.00 O ATOM 467 CB SER A 122 11.608 5.220 -8.357 1.00 0.00 C ATOM 468 OG SER A 122 12.459 5.752 -7.349 1.00 0.00 O ATOM 0 H SER A 122 9.350 4.202 -9.459 1.00 0.00 H new ATOM 0 HA SER A 122 11.174 3.398 -7.228 1.00 0.00 H new ATOM 0 HB2 SER A 122 12.213 4.767 -9.142 1.00 0.00 H new ATOM 0 HB3 SER A 122 11.040 6.028 -8.818 1.00 0.00 H new ATOM 0 HG SER A 122 13.063 6.413 -7.747 1.00 0.00 H new ATOM 474 N PHE A 123 10.162 4.963 -5.483 1.00 0.00 N ATOM 475 CA PHE A 123 9.489 5.660 -4.332 1.00 0.00 C ATOM 476 C PHE A 123 8.605 6.924 -4.650 1.00 0.00 C ATOM 477 O PHE A 123 7.469 7.053 -4.181 1.00 0.00 O ATOM 478 CB PHE A 123 10.628 5.984 -3.298 1.00 0.00 C ATOM 479 CG PHE A 123 10.225 6.761 -2.024 1.00 0.00 C ATOM 480 CD1 PHE A 123 9.817 6.083 -0.872 1.00 0.00 C ATOM 481 CD2 PHE A 123 10.110 8.159 -2.071 1.00 0.00 C ATOM 482 CE1 PHE A 123 9.226 6.783 0.177 1.00 0.00 C ATOM 483 CE2 PHE A 123 9.464 8.847 -1.050 1.00 0.00 C ATOM 484 CZ PHE A 123 8.989 8.152 0.059 1.00 0.00 C ATOM 0 H PHE A 123 11.088 4.616 -5.234 1.00 0.00 H new ATOM 0 HA PHE A 123 8.729 4.981 -3.947 1.00 0.00 H new ATOM 0 HB2 PHE A 123 11.082 5.042 -2.990 1.00 0.00 H new ATOM 0 HB3 PHE A 123 11.399 6.557 -3.813 1.00 0.00 H new ATOM 0 HD1 PHE A 123 9.960 5.015 -0.795 1.00 0.00 H new ATOM 0 HD2 PHE A 123 10.526 8.704 -2.906 1.00 0.00 H new ATOM 0 HE1 PHE A 123 8.951 6.265 1.084 1.00 0.00 H new ATOM 0 HE2 PHE A 123 9.331 9.917 -1.117 1.00 0.00 H new ATOM 0 HZ PHE A 123 8.437 8.673 0.827 1.00 0.00 H new ATOM 494 N LYS A 124 9.194 7.875 -5.386 1.00 0.00 N ATOM 495 CA LYS A 124 8.519 9.133 -5.797 1.00 0.00 C ATOM 496 C LYS A 124 7.385 8.974 -6.837 1.00 0.00 C ATOM 497 O LYS A 124 6.350 9.631 -6.703 1.00 0.00 O ATOM 498 CB LYS A 124 9.540 10.130 -6.356 1.00 0.00 C ATOM 499 CG LYS A 124 10.294 10.846 -5.232 1.00 0.00 C ATOM 500 CD LYS A 124 11.145 12.024 -5.744 1.00 0.00 C ATOM 501 CE LYS A 124 11.950 12.668 -4.609 1.00 0.00 C ATOM 502 NZ LYS A 124 12.751 13.811 -5.084 1.00 0.00 N ATOM 0 H LYS A 124 10.155 7.802 -5.719 1.00 0.00 H new ATOM 0 HA LYS A 124 8.052 9.493 -4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 124 10.250 9.606 -6.996 1.00 0.00 H new ATOM 0 HB3 LYS A 124 9.030 10.864 -6.980 1.00 0.00 H new ATOM 0 HG2 LYS A 124 9.578 11.213 -4.496 1.00 0.00 H new ATOM 0 HG3 LYS A 124 10.939 10.132 -4.721 1.00 0.00 H new ATOM 0 HD2 LYS A 124 11.825 11.673 -6.521 1.00 0.00 H new ATOM 0 HD3 LYS A 124 10.497 12.771 -6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.270 13.002 -3.825 1.00 0.00 H new ATOM 0 HE3 LYS A 124 12.609 11.923 -4.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 13.280 14.219 -4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 13.418 13.488 -5.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 12.120 14.533 -5.487 1.00 0.00 H new ATOM 516 N ASN A 125 7.551 8.091 -7.842 1.00 0.00 N ATOM 517 CA ASN A 125 6.450 7.745 -8.799 1.00 0.00 C ATOM 518 C ASN A 125 5.152 7.210 -8.082 1.00 0.00 C ATOM 519 O ASN A 125 4.062 7.751 -8.343 1.00 0.00 O ATOM 520 CB ASN A 125 6.934 6.818 -9.950 1.00 0.00 C ATOM 521 CG ASN A 125 8.154 7.291 -10.787 1.00 0.00 C ATOM 522 OD1 ASN A 125 9.295 6.965 -10.464 1.00 0.00 O ATOM 523 ND2 ASN A 125 7.957 8.044 -11.866 1.00 0.00 N ATOM 0 H ASN A 125 8.427 7.600 -8.022 1.00 0.00 H new ATOM 0 HA ASN A 125 6.154 8.683 -9.269 1.00 0.00 H new ATOM 0 HB2 ASN A 125 7.178 5.847 -9.520 1.00 0.00 H new ATOM 0 HB3 ASN A 125 6.098 6.664 -10.632 1.00 0.00 H new ATOM 0 HD21 ASN A 125 8.752 8.351 -12.426 1.00 0.00 H new ATOM 0 HD22 ASN A 125 7.010 8.314 -12.134 1.00 0.00 H new ATOM 530 N LEU A 126 5.312 6.237 -7.132 1.00 0.00 N ATOM 531 CA LEU A 126 4.284 5.797 -6.147 1.00 0.00 C ATOM 532 C LEU A 126 3.545 7.003 -5.494 1.00 0.00 C ATOM 533 O LEU A 126 2.383 7.265 -5.821 1.00 0.00 O ATOM 534 CB LEU A 126 5.050 4.949 -5.069 1.00 0.00 C ATOM 535 CG LEU A 126 5.178 3.425 -5.294 1.00 0.00 C ATOM 536 CD1 LEU A 126 6.602 2.887 -5.093 1.00 0.00 C ATOM 537 CD2 LEU A 126 4.248 2.697 -4.320 1.00 0.00 C ATOM 0 H LEU A 126 6.188 5.725 -7.032 1.00 0.00 H new ATOM 0 HA LEU A 126 3.507 5.212 -6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 126 6.056 5.358 -4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 126 4.555 5.104 -4.110 1.00 0.00 H new ATOM 0 HG LEU A 126 4.908 3.243 -6.334 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.613 1.811 -5.268 1.00 0.00 H new ATOM 0 HD12 LEU A 126 7.278 3.376 -5.795 1.00 0.00 H new ATOM 0 HD13 LEU A 126 6.928 3.092 -4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 126 4.332 1.621 -4.472 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.530 2.942 -3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 126 3.219 3.009 -4.498 1.00 0.00 H new ATOM 549 N LYS A 127 4.288 7.779 -4.678 1.00 0.00 N ATOM 550 CA LYS A 127 3.824 9.045 -4.091 1.00 0.00 C ATOM 551 C LYS A 127 3.316 10.178 -5.019 1.00 0.00 C ATOM 552 O LYS A 127 2.691 11.112 -4.520 1.00 0.00 O ATOM 553 CB LYS A 127 5.095 9.579 -3.439 1.00 0.00 C ATOM 554 CG LYS A 127 4.820 10.642 -2.351 1.00 0.00 C ATOM 555 CD LYS A 127 6.112 11.105 -1.648 1.00 0.00 C ATOM 556 CE LYS A 127 5.861 12.130 -0.525 1.00 0.00 C ATOM 557 NZ LYS A 127 7.120 12.549 0.116 1.00 0.00 N ATOM 0 H LYS A 127 5.241 7.537 -4.407 1.00 0.00 H new ATOM 0 HA LYS A 127 2.950 8.811 -3.484 1.00 0.00 H new ATOM 0 HB2 LYS A 127 5.645 8.749 -2.996 1.00 0.00 H new ATOM 0 HB3 LYS A 127 5.736 10.012 -4.207 1.00 0.00 H new ATOM 0 HG2 LYS A 127 4.326 11.502 -2.803 1.00 0.00 H new ATOM 0 HG3 LYS A 127 4.133 10.232 -1.611 1.00 0.00 H new ATOM 0 HD2 LYS A 127 6.621 10.237 -1.231 1.00 0.00 H new ATOM 0 HD3 LYS A 127 6.783 11.543 -2.387 1.00 0.00 H new ATOM 0 HE2 LYS A 127 5.352 13.003 -0.935 1.00 0.00 H new ATOM 0 HE3 LYS A 127 5.198 11.696 0.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 6.915 13.239 0.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 7.593 11.719 0.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 7.743 12.985 -0.594 1.00 0.00 H new ATOM 571 N ARG A 128 3.638 10.165 -6.321 1.00 0.00 N ATOM 572 CA ARG A 128 3.465 11.303 -7.218 1.00 0.00 C ATOM 573 C ARG A 128 2.088 11.296 -7.866 1.00 0.00 C ATOM 574 O ARG A 128 1.282 12.201 -7.624 1.00 0.00 O ATOM 575 CB ARG A 128 4.590 10.985 -8.190 1.00 0.00 C ATOM 576 CG ARG A 128 4.961 12.192 -9.026 1.00 0.00 C ATOM 577 CD ARG A 128 6.027 13.126 -8.422 1.00 0.00 C ATOM 578 NE ARG A 128 6.313 14.266 -9.331 1.00 0.00 N ATOM 579 CZ ARG A 128 7.248 15.208 -9.101 1.00 0.00 C ATOM 580 NH1 ARG A 128 8.036 15.229 -8.027 1.00 0.00 N ATOM 581 NH2 ARG A 128 7.394 16.168 -9.995 1.00 0.00 N ATOM 0 H ARG A 128 4.033 9.345 -6.782 1.00 0.00 H new ATOM 0 HA ARG A 128 3.511 12.295 -6.768 1.00 0.00 H new ATOM 0 HB2 ARG A 128 5.464 10.642 -7.636 1.00 0.00 H new ATOM 0 HB3 ARG A 128 4.286 10.168 -8.844 1.00 0.00 H new ATOM 0 HG2 ARG A 128 5.318 11.843 -9.995 1.00 0.00 H new ATOM 0 HG3 ARG A 128 4.058 12.774 -9.210 1.00 0.00 H new ATOM 0 HD2 ARG A 128 5.682 13.502 -7.459 1.00 0.00 H new ATOM 0 HD3 ARG A 128 6.943 12.566 -8.236 1.00 0.00 H new ATOM 0 HE ARG A 128 5.764 14.340 -10.187 1.00 0.00 H new ATOM 0 HH11 ARG A 128 7.951 14.501 -7.317 1.00 0.00 H new ATOM 0 HH12 ARG A 128 8.725 15.973 -7.914 1.00 0.00 H new ATOM 0 HH21 ARG A 128 6.808 16.181 -10.830 1.00 0.00 H new ATOM 0 HH22 ARG A 128 8.093 16.897 -9.851 1.00 0.00 H new ATOM 595 N VAL A 129 1.820 10.238 -8.649 1.00 0.00 N ATOM 596 CA VAL A 129 0.445 9.968 -9.133 1.00 0.00 C ATOM 597 C VAL A 129 -0.544 9.554 -7.997 1.00 0.00 C ATOM 598 O VAL A 129 -1.694 10.005 -8.042 1.00 0.00 O ATOM 599 CB VAL A 129 0.494 8.978 -10.325 1.00 0.00 C ATOM 600 CG1 VAL A 129 0.853 9.685 -11.636 1.00 0.00 C ATOM 601 CG2 VAL A 129 1.380 7.726 -10.214 1.00 0.00 C ATOM 0 H VAL A 129 2.519 9.563 -8.959 1.00 0.00 H new ATOM 0 HA VAL A 129 0.023 10.903 -9.502 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.529 8.602 -10.306 1.00 0.00 H new ATOM 0 HG11 VAL A 129 0.877 8.957 -12.447 1.00 0.00 H new ATOM 0 HG12 VAL A 129 0.105 10.447 -11.855 1.00 0.00 H new ATOM 0 HG13 VAL A 129 1.832 10.154 -11.540 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.300 7.142 -11.131 1.00 0.00 H new ATOM 0 HG22 VAL A 129 2.417 8.026 -10.064 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.051 7.121 -9.369 1.00 0.00 H new ATOM 611 N ALA A 130 -0.135 8.734 -6.994 1.00 0.00 N ATOM 612 CA ALA A 130 -0.990 8.515 -5.777 1.00 0.00 C ATOM 613 C ALA A 130 -1.142 9.785 -4.880 1.00 0.00 C ATOM 614 O ALA A 130 -2.191 10.000 -4.267 1.00 0.00 O ATOM 615 CB ALA A 130 -0.507 7.323 -4.931 1.00 0.00 C ATOM 0 H ALA A 130 0.749 8.225 -6.992 1.00 0.00 H new ATOM 0 HA ALA A 130 -1.979 8.283 -6.173 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -1.156 7.206 -4.064 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -0.537 6.414 -5.532 1.00 0.00 H new ATOM 0 HB3 ALA A 130 0.515 7.504 -4.597 1.00 0.00 H new ATOM 621 N LYS A 131 -0.090 10.620 -4.867 1.00 0.00 N ATOM 622 CA LYS A 131 -0.126 11.988 -4.273 1.00 0.00 C ATOM 623 C LYS A 131 -1.071 13.030 -4.940 1.00 0.00 C ATOM 624 O LYS A 131 -1.551 13.917 -4.230 1.00 0.00 O ATOM 625 CB LYS A 131 1.304 12.542 -4.268 1.00 0.00 C ATOM 626 CG LYS A 131 1.440 13.727 -3.295 1.00 0.00 C ATOM 627 CD LYS A 131 2.856 14.348 -3.262 1.00 0.00 C ATOM 628 CE LYS A 131 3.063 15.483 -2.235 1.00 0.00 C ATOM 629 NZ LYS A 131 3.052 15.016 -0.835 1.00 0.00 N ATOM 0 H LYS A 131 0.816 10.375 -5.266 1.00 0.00 H new ATOM 0 HA LYS A 131 -0.549 11.851 -3.278 1.00 0.00 H new ATOM 0 HB2 LYS A 131 2.001 11.754 -3.984 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.576 12.861 -5.274 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.722 14.498 -3.574 1.00 0.00 H new ATOM 0 HG3 LYS A 131 1.176 13.393 -2.291 1.00 0.00 H new ATOM 0 HD2 LYS A 131 3.576 13.557 -3.052 1.00 0.00 H new ATOM 0 HD3 LYS A 131 3.087 14.734 -4.255 1.00 0.00 H new ATOM 0 HE2 LYS A 131 4.013 15.978 -2.438 1.00 0.00 H new ATOM 0 HE3 LYS A 131 2.280 16.230 -2.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 3.620 15.661 -0.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 2.074 14.999 -0.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 3.455 14.058 -0.785 1.00 0.00 H new ATOM 643 N GLU A 132 -1.354 12.929 -6.262 1.00 0.00 N ATOM 644 CA GLU A 132 -2.430 13.724 -6.947 1.00 0.00 C ATOM 645 C GLU A 132 -3.818 13.656 -6.229 1.00 0.00 C ATOM 646 O GLU A 132 -4.433 14.699 -5.991 1.00 0.00 O ATOM 647 CB GLU A 132 -2.623 13.344 -8.440 1.00 0.00 C ATOM 648 CG GLU A 132 -1.424 13.628 -9.385 1.00 0.00 C ATOM 649 CD GLU A 132 -1.834 14.121 -10.778 1.00 0.00 C ATOM 650 OE1 GLU A 132 -2.072 13.280 -11.674 1.00 0.00 O ATOM 651 OE2 GLU A 132 -1.919 15.353 -10.982 1.00 0.00 O ATOM 0 H GLU A 132 -0.852 12.301 -6.890 1.00 0.00 H new ATOM 0 HA GLU A 132 -2.060 14.747 -6.888 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -2.857 12.281 -8.495 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -3.492 13.881 -8.820 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -0.778 14.374 -8.922 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -0.834 12.717 -9.492 1.00 0.00 H new ATOM 658 N LEU A 133 -4.270 12.439 -5.861 1.00 0.00 N ATOM 659 CA LEU A 133 -5.423 12.230 -4.931 1.00 0.00 C ATOM 660 C LEU A 133 -5.193 12.861 -3.518 1.00 0.00 C ATOM 661 O LEU A 133 -6.025 13.638 -3.044 1.00 0.00 O ATOM 662 CB LEU A 133 -5.737 10.697 -4.879 1.00 0.00 C ATOM 663 CG LEU A 133 -6.589 10.140 -3.698 1.00 0.00 C ATOM 664 CD1 LEU A 133 -8.017 10.709 -3.610 1.00 0.00 C ATOM 665 CD2 LEU A 133 -6.618 8.607 -3.717 1.00 0.00 C ATOM 0 H LEU A 133 -3.854 11.569 -6.194 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.295 12.760 -5.314 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -6.247 10.434 -5.806 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -4.785 10.166 -4.877 1.00 0.00 H new ATOM 0 HG LEU A 133 -6.083 10.485 -2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -8.534 10.265 -2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -7.970 11.790 -3.482 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -8.559 10.475 -4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -7.219 8.244 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -7.054 8.263 -4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -5.602 8.223 -3.627 1.00 0.00 H new ATOM 773 N GLU A 141 5.514 5.134 6.561 1.00 0.00 N ATOM 774 CA GLU A 141 4.646 4.074 5.967 1.00 0.00 C ATOM 775 C GLU A 141 5.003 3.729 4.489 1.00 0.00 C ATOM 776 O GLU A 141 5.207 2.558 4.174 1.00 0.00 O ATOM 777 CB GLU A 141 3.157 4.494 6.052 1.00 0.00 C ATOM 778 CG GLU A 141 2.579 4.556 7.486 1.00 0.00 C ATOM 779 CD GLU A 141 1.116 5.007 7.538 1.00 0.00 C ATOM 780 OE1 GLU A 141 0.856 6.229 7.508 1.00 0.00 O ATOM 781 OE2 GLU A 141 0.219 4.139 7.616 1.00 0.00 O ATOM 0 HA GLU A 141 4.825 3.173 6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 141 3.044 5.474 5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 141 2.563 3.793 5.466 1.00 0.00 H new ATOM 0 HG2 GLU A 141 2.664 3.571 7.946 1.00 0.00 H new ATOM 0 HG3 GLU A 141 3.183 5.240 8.083 1.00 0.00 H new ATOM 788 N LEU A 142 5.118 4.751 3.619 1.00 0.00 N ATOM 789 CA LEU A 142 5.661 4.651 2.229 1.00 0.00 C ATOM 790 C LEU A 142 7.033 3.891 2.067 1.00 0.00 C ATOM 791 O LEU A 142 7.156 2.993 1.224 1.00 0.00 O ATOM 792 CB LEU A 142 5.693 6.124 1.678 1.00 0.00 C ATOM 793 CG LEU A 142 5.136 6.333 0.249 1.00 0.00 C ATOM 794 CD1 LEU A 142 4.767 7.806 -0.020 1.00 0.00 C ATOM 795 CD2 LEU A 142 6.080 5.845 -0.859 1.00 0.00 C ATOM 0 H LEU A 142 4.831 5.700 3.860 1.00 0.00 H new ATOM 0 HA LEU A 142 5.009 4.006 1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 142 5.128 6.758 2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 142 6.725 6.475 1.698 1.00 0.00 H new ATOM 0 HG LEU A 142 4.236 5.719 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 142 4.381 7.905 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 142 4.005 8.126 0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 142 5.654 8.430 0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 142 5.622 6.024 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 142 7.024 6.386 -0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 142 6.264 4.778 -0.736 1.00 0.00 H new ATOM 807 N GLN A 143 8.026 4.226 2.918 1.00 0.00 N ATOM 808 CA GLN A 143 9.306 3.470 3.059 1.00 0.00 C ATOM 809 C GLN A 143 9.134 1.998 3.551 1.00 0.00 C ATOM 810 O GLN A 143 9.841 1.117 3.056 1.00 0.00 O ATOM 811 CB GLN A 143 10.288 4.233 3.994 1.00 0.00 C ATOM 812 CG GLN A 143 10.985 5.467 3.372 1.00 0.00 C ATOM 813 CD GLN A 143 11.881 6.238 4.355 1.00 0.00 C ATOM 814 OE1 GLN A 143 11.529 6.489 5.508 1.00 0.00 O ATOM 815 NE2 GLN A 143 13.046 6.670 3.902 1.00 0.00 N ATOM 0 H GLN A 143 7.969 5.035 3.536 1.00 0.00 H new ATOM 0 HA GLN A 143 9.718 3.404 2.052 1.00 0.00 H new ATOM 0 HB2 GLN A 143 9.741 4.556 4.880 1.00 0.00 H new ATOM 0 HB3 GLN A 143 11.056 3.536 4.330 1.00 0.00 H new ATOM 0 HG2 GLN A 143 11.588 5.142 2.524 1.00 0.00 H new ATOM 0 HG3 GLN A 143 10.224 6.143 2.982 1.00 0.00 H new ATOM 0 HE21 GLN A 143 13.332 6.459 2.946 1.00 0.00 H new ATOM 0 HE22 GLN A 143 13.659 7.215 4.509 1.00 0.00 H new ATOM 824 N GLU A 144 8.197 1.726 4.484 1.00 0.00 N ATOM 825 CA GLU A 144 7.794 0.343 4.864 1.00 0.00 C ATOM 826 C GLU A 144 7.229 -0.527 3.712 1.00 0.00 C ATOM 827 O GLU A 144 7.620 -1.695 3.615 1.00 0.00 O ATOM 828 CB GLU A 144 6.758 0.362 6.019 1.00 0.00 C ATOM 829 CG GLU A 144 7.277 0.692 7.435 1.00 0.00 C ATOM 830 CD GLU A 144 8.144 -0.404 8.068 1.00 0.00 C ATOM 831 OE1 GLU A 144 7.584 -1.353 8.660 1.00 0.00 O ATOM 832 OE2 GLU A 144 9.388 -0.319 7.975 1.00 0.00 O ATOM 0 H GLU A 144 7.696 2.452 4.997 1.00 0.00 H new ATOM 0 HA GLU A 144 8.729 -0.123 5.176 1.00 0.00 H new ATOM 0 HB2 GLU A 144 5.985 1.088 5.766 1.00 0.00 H new ATOM 0 HB3 GLU A 144 6.277 -0.616 6.056 1.00 0.00 H new ATOM 0 HG2 GLU A 144 7.856 1.614 7.390 1.00 0.00 H new ATOM 0 HG3 GLU A 144 6.423 0.883 8.085 1.00 0.00 H new ATOM 839 N MET A 145 6.351 0.016 2.842 1.00 0.00 N ATOM 840 CA MET A 145 5.912 -0.690 1.606 1.00 0.00 C ATOM 841 C MET A 145 7.093 -1.060 0.666 1.00 0.00 C ATOM 842 O MET A 145 7.295 -2.244 0.382 1.00 0.00 O ATOM 843 CB MET A 145 4.817 0.139 0.871 1.00 0.00 C ATOM 844 CG MET A 145 3.399 -0.011 1.436 1.00 0.00 C ATOM 845 SD MET A 145 3.244 0.722 3.079 1.00 0.00 S ATOM 846 CE MET A 145 2.288 2.213 2.736 1.00 0.00 C ATOM 0 H MET A 145 5.930 0.937 2.966 1.00 0.00 H new ATOM 0 HA MET A 145 5.476 -1.641 1.912 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.096 1.192 0.906 1.00 0.00 H new ATOM 0 HB3 MET A 145 4.806 -0.153 -0.179 1.00 0.00 H new ATOM 0 HG2 MET A 145 2.687 0.462 0.759 1.00 0.00 H new ATOM 0 HG3 MET A 145 3.138 -1.068 1.485 1.00 0.00 H new ATOM 0 HE1 MET A 145 1.821 2.566 3.656 1.00 0.00 H new ATOM 0 HE2 MET A 145 2.948 2.987 2.344 1.00 0.00 H new ATOM 0 HE3 MET A 145 1.516 1.989 2.000 1.00 0.00 H new ATOM 856 N ILE A 146 7.892 -0.069 0.237 1.00 0.00 N ATOM 857 CA ILE A 146 8.981 -0.290 -0.762 1.00 0.00 C ATOM 858 C ILE A 146 10.142 -1.240 -0.284 1.00 0.00 C ATOM 859 O ILE A 146 10.626 -2.053 -1.076 1.00 0.00 O ATOM 860 CB ILE A 146 9.426 1.104 -1.347 1.00 0.00 C ATOM 861 CG1 ILE A 146 9.939 1.017 -2.829 1.00 0.00 C ATOM 862 CG2 ILE A 146 10.479 1.857 -0.503 1.00 0.00 C ATOM 863 CD1 ILE A 146 8.932 0.464 -3.844 1.00 0.00 C ATOM 0 H ILE A 146 7.814 0.896 0.559 1.00 0.00 H new ATOM 0 HA ILE A 146 8.581 -0.879 -1.587 1.00 0.00 H new ATOM 0 HB ILE A 146 8.502 1.681 -1.314 1.00 0.00 H new ATOM 0 HG12 ILE A 146 10.241 2.014 -3.150 1.00 0.00 H new ATOM 0 HG13 ILE A 146 10.831 0.391 -2.850 1.00 0.00 H new ATOM 0 HG21 ILE A 146 10.722 2.804 -0.985 1.00 0.00 H new ATOM 0 HG22 ILE A 146 10.078 2.049 0.492 1.00 0.00 H new ATOM 0 HG23 ILE A 146 11.381 1.250 -0.420 1.00 0.00 H new ATOM 0 HD11 ILE A 146 9.386 0.446 -4.835 1.00 0.00 H new ATOM 0 HD12 ILE A 146 8.646 -0.548 -3.558 1.00 0.00 H new ATOM 0 HD13 ILE A 146 8.047 1.100 -3.862 1.00 0.00 H new ATOM 875 N ASP A 147 10.526 -1.167 1.007 1.00 0.00 N ATOM 876 CA ASP A 147 11.437 -2.150 1.665 1.00 0.00 C ATOM 877 C ASP A 147 10.825 -3.575 1.873 1.00 0.00 C ATOM 878 O ASP A 147 11.566 -4.552 1.732 1.00 0.00 O ATOM 879 CB ASP A 147 11.970 -1.588 3.009 1.00 0.00 C ATOM 880 CG ASP A 147 13.011 -0.463 2.881 1.00 0.00 C ATOM 881 OD1 ASP A 147 12.624 0.715 2.718 1.00 0.00 O ATOM 882 OD2 ASP A 147 14.225 -0.759 2.935 1.00 0.00 O ATOM 0 H ASP A 147 10.216 -0.424 1.633 1.00 0.00 H new ATOM 0 HA ASP A 147 12.261 -2.288 0.965 1.00 0.00 H new ATOM 0 HB2 ASP A 147 11.126 -1.216 3.589 1.00 0.00 H new ATOM 0 HB3 ASP A 147 12.411 -2.407 3.577 1.00 0.00 H new ATOM 887 N GLU A 148 9.516 -3.720 2.190 1.00 0.00 N ATOM 888 CA GLU A 148 8.793 -5.012 2.191 1.00 0.00 C ATOM 889 C GLU A 148 8.844 -5.808 0.853 1.00 0.00 C ATOM 890 O GLU A 148 9.203 -6.989 0.869 1.00 0.00 O ATOM 891 CB GLU A 148 7.328 -4.650 2.534 1.00 0.00 C ATOM 892 CG GLU A 148 6.963 -4.527 4.033 1.00 0.00 C ATOM 893 CD GLU A 148 6.934 -5.860 4.796 1.00 0.00 C ATOM 894 OE1 GLU A 148 5.902 -6.565 4.745 1.00 0.00 O ATOM 895 OE2 GLU A 148 7.944 -6.206 5.448 1.00 0.00 O ATOM 0 H GLU A 148 8.926 -2.932 2.456 1.00 0.00 H new ATOM 0 HA GLU A 148 9.271 -5.681 2.907 1.00 0.00 H new ATOM 0 HB2 GLU A 148 7.092 -3.702 2.050 1.00 0.00 H new ATOM 0 HB3 GLU A 148 6.680 -5.405 2.089 1.00 0.00 H new ATOM 0 HG2 GLU A 148 7.681 -3.863 4.515 1.00 0.00 H new ATOM 0 HG3 GLU A 148 5.985 -4.054 4.118 1.00 0.00 H new ATOM 902 N ALA A 149 8.496 -5.158 -0.277 1.00 0.00 N ATOM 903 CA ALA A 149 8.633 -5.760 -1.632 1.00 0.00 C ATOM 904 C ALA A 149 10.070 -6.198 -2.034 1.00 0.00 C ATOM 905 O ALA A 149 10.238 -7.329 -2.500 1.00 0.00 O ATOM 906 CB ALA A 149 8.074 -4.780 -2.676 1.00 0.00 C ATOM 0 H ALA A 149 8.116 -4.212 -0.284 1.00 0.00 H new ATOM 0 HA ALA A 149 8.062 -6.688 -1.598 1.00 0.00 H new ATOM 0 HB1 ALA A 149 8.171 -5.214 -3.671 1.00 0.00 H new ATOM 0 HB2 ALA A 149 7.022 -4.585 -2.466 1.00 0.00 H new ATOM 0 HB3 ALA A 149 8.632 -3.845 -2.632 1.00 0.00 H new ATOM 1001 N VAL A 157 10.542 -1.739 -8.547 1.00 0.00 N ATOM 1002 CA VAL A 157 9.373 -2.667 -8.415 1.00 0.00 C ATOM 1003 C VAL A 157 8.864 -3.109 -9.829 1.00 0.00 C ATOM 1004 O VAL A 157 9.208 -2.530 -10.865 1.00 0.00 O ATOM 1005 CB VAL A 157 8.312 -1.981 -7.470 1.00 0.00 C ATOM 1006 CG1 VAL A 157 6.809 -2.169 -7.779 1.00 0.00 C ATOM 1007 CG2 VAL A 157 8.532 -2.390 -6.000 1.00 0.00 C ATOM 0 HA VAL A 157 9.638 -3.610 -7.937 1.00 0.00 H new ATOM 0 HB VAL A 157 8.513 -0.928 -7.668 1.00 0.00 H new ATOM 0 HG11 VAL A 157 6.215 -1.635 -7.037 1.00 0.00 H new ATOM 0 HG12 VAL A 157 6.589 -1.775 -8.771 1.00 0.00 H new ATOM 0 HG13 VAL A 157 6.561 -3.230 -7.747 1.00 0.00 H new ATOM 0 HG21 VAL A 157 7.787 -1.903 -5.371 1.00 0.00 H new ATOM 0 HG22 VAL A 157 8.436 -3.472 -5.905 1.00 0.00 H new ATOM 0 HG23 VAL A 157 9.529 -2.085 -5.683 1.00 0.00 H new ATOM 1017 N SER A 158 8.086 -4.209 -9.832 1.00 0.00 N ATOM 1018 CA SER A 158 7.598 -4.881 -11.062 1.00 0.00 C ATOM 1019 C SER A 158 6.070 -4.658 -11.243 1.00 0.00 C ATOM 1020 O SER A 158 5.353 -4.250 -10.321 1.00 0.00 O ATOM 1021 CB SER A 158 7.948 -6.396 -11.018 1.00 0.00 C ATOM 1022 OG SER A 158 9.334 -6.625 -10.777 1.00 0.00 O ATOM 0 H SER A 158 7.773 -4.664 -8.974 1.00 0.00 H new ATOM 0 HA SER A 158 8.098 -4.441 -11.925 1.00 0.00 H new ATOM 0 HB2 SER A 158 7.361 -6.879 -10.237 1.00 0.00 H new ATOM 0 HB3 SER A 158 7.665 -6.860 -11.963 1.00 0.00 H new ATOM 0 HG SER A 158 9.507 -7.589 -10.756 1.00 0.00 H new ATOM 1028 N GLU A 159 5.579 -4.965 -12.460 1.00 0.00 N ATOM 1029 CA GLU A 159 4.110 -5.017 -12.798 1.00 0.00 C ATOM 1030 C GLU A 159 3.177 -5.702 -11.743 1.00 0.00 C ATOM 1031 O GLU A 159 2.136 -5.157 -11.362 1.00 0.00 O ATOM 1032 CB GLU A 159 3.864 -5.592 -14.220 1.00 0.00 C ATOM 1033 CG GLU A 159 4.506 -6.920 -14.689 1.00 0.00 C ATOM 1034 CD GLU A 159 4.005 -7.349 -16.075 1.00 0.00 C ATOM 1035 OE1 GLU A 159 2.954 -8.024 -16.156 1.00 0.00 O ATOM 1036 OE2 GLU A 159 4.656 -7.011 -17.087 1.00 0.00 O ATOM 0 H GLU A 159 6.180 -5.188 -13.253 1.00 0.00 H new ATOM 0 HA GLU A 159 3.812 -3.969 -12.774 1.00 0.00 H new ATOM 0 HB2 GLU A 159 2.786 -5.708 -14.330 1.00 0.00 H new ATOM 0 HB3 GLU A 159 4.176 -4.824 -14.928 1.00 0.00 H new ATOM 0 HG2 GLU A 159 5.590 -6.808 -14.715 1.00 0.00 H new ATOM 0 HG3 GLU A 159 4.284 -7.704 -13.965 1.00 0.00 H new ATOM 1043 N GLN A 160 3.648 -6.847 -11.240 1.00 0.00 N ATOM 1044 CA GLN A 160 3.063 -7.606 -10.108 1.00 0.00 C ATOM 1045 C GLN A 160 2.783 -6.873 -8.760 1.00 0.00 C ATOM 1046 O GLN A 160 2.023 -7.441 -7.975 1.00 0.00 O ATOM 1047 CB GLN A 160 4.005 -8.811 -9.822 1.00 0.00 C ATOM 1048 CG GLN A 160 4.054 -9.903 -10.921 1.00 0.00 C ATOM 1049 CD GLN A 160 4.941 -11.106 -10.565 1.00 0.00 C ATOM 1050 OE1 GLN A 160 4.462 -12.141 -10.102 1.00 0.00 O ATOM 1051 NE2 GLN A 160 6.244 -11.008 -10.789 1.00 0.00 N ATOM 0 H GLN A 160 4.481 -7.297 -11.619 1.00 0.00 H new ATOM 0 HA GLN A 160 2.061 -7.859 -10.456 1.00 0.00 H new ATOM 0 HB2 GLN A 160 5.015 -8.430 -9.669 1.00 0.00 H new ATOM 0 HB3 GLN A 160 3.695 -9.277 -8.887 1.00 0.00 H new ATOM 0 HG2 GLN A 160 3.041 -10.256 -11.114 1.00 0.00 H new ATOM 0 HG3 GLN A 160 4.418 -9.457 -11.847 1.00 0.00 H new ATOM 0 HE21 GLN A 160 6.632 -10.146 -11.173 1.00 0.00 H new ATOM 0 HE22 GLN A 160 6.858 -11.794 -10.577 1.00 0.00 H new ATOM 1060 N GLU A 161 3.339 -5.685 -8.442 1.00 0.00 N ATOM 1061 CA GLU A 161 3.015 -4.993 -7.160 1.00 0.00 C ATOM 1062 C GLU A 161 1.744 -4.109 -7.189 1.00 0.00 C ATOM 1063 O GLU A 161 0.869 -4.351 -6.353 1.00 0.00 O ATOM 1064 CB GLU A 161 4.220 -4.209 -6.625 1.00 0.00 C ATOM 1065 CG GLU A 161 5.385 -5.051 -6.047 1.00 0.00 C ATOM 1066 CD GLU A 161 5.103 -5.748 -4.706 1.00 0.00 C ATOM 1067 OE1 GLU A 161 4.660 -5.080 -3.747 1.00 0.00 O ATOM 1068 OE2 GLU A 161 5.336 -6.972 -4.608 1.00 0.00 O ATOM 0 H GLU A 161 4.002 -5.187 -9.036 1.00 0.00 H new ATOM 0 HA GLU A 161 2.777 -5.801 -6.469 1.00 0.00 H new ATOM 0 HB2 GLU A 161 4.612 -3.591 -7.433 1.00 0.00 H new ATOM 0 HB3 GLU A 161 3.869 -3.531 -5.847 1.00 0.00 H new ATOM 0 HG2 GLU A 161 5.658 -5.810 -6.780 1.00 0.00 H new ATOM 0 HG3 GLU A 161 6.251 -4.401 -5.923 1.00 0.00 H new ATOM 1075 N PHE A 162 1.582 -3.124 -8.107 1.00 0.00 N ATOM 1076 CA PHE A 162 0.235 -2.441 -8.255 1.00 0.00 C ATOM 1077 C PHE A 162 -0.832 -3.467 -8.736 1.00 0.00 C ATOM 1078 O PHE A 162 -1.859 -3.595 -8.065 1.00 0.00 O ATOM 1079 CB PHE A 162 0.224 -1.131 -9.111 1.00 0.00 C ATOM 1080 CG PHE A 162 -0.931 -0.066 -9.081 1.00 0.00 C ATOM 1081 CD1 PHE A 162 -2.205 -0.285 -8.513 1.00 0.00 C ATOM 1082 CD2 PHE A 162 -0.759 1.116 -9.835 1.00 0.00 C ATOM 1083 CE1 PHE A 162 -3.294 0.497 -8.875 1.00 0.00 C ATOM 1084 CE2 PHE A 162 -1.848 1.898 -10.178 1.00 0.00 C ATOM 1085 CZ PHE A 162 -3.116 1.555 -9.750 1.00 0.00 C ATOM 0 H PHE A 162 2.312 -2.786 -8.733 1.00 0.00 H new ATOM 0 HA PHE A 162 -0.021 -2.083 -7.258 1.00 0.00 H new ATOM 0 HB2 PHE A 162 1.138 -0.595 -8.856 1.00 0.00 H new ATOM 0 HB3 PHE A 162 0.319 -1.447 -10.150 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -2.335 -1.073 -7.786 1.00 0.00 H new ATOM 0 HD2 PHE A 162 0.232 1.412 -10.147 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -4.274 0.281 -8.476 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -1.706 2.781 -10.783 1.00 0.00 H new ATOM 0 HZ PHE A 162 -3.971 2.114 -10.099 1.00 0.00 H new ATOM 1095 N LEU A 163 -0.578 -4.241 -9.816 1.00 0.00 N ATOM 1096 CA LEU A 163 -1.568 -5.231 -10.324 1.00 0.00 C ATOM 1097 C LEU A 163 -1.738 -6.505 -9.455 1.00 0.00 C ATOM 1098 O LEU A 163 -2.882 -6.904 -9.203 1.00 0.00 O ATOM 1099 CB LEU A 163 -1.204 -5.418 -11.828 1.00 0.00 C ATOM 1100 CG LEU A 163 -1.589 -6.670 -12.661 1.00 0.00 C ATOM 1101 CD1 LEU A 163 -1.403 -6.299 -14.144 1.00 0.00 C ATOM 1102 CD2 LEU A 163 -0.716 -7.913 -12.376 1.00 0.00 C ATOM 0 H LEU A 163 0.291 -4.204 -10.350 1.00 0.00 H new ATOM 0 HA LEU A 163 -2.594 -4.872 -10.241 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -1.625 -4.561 -12.353 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -0.120 -5.330 -11.893 1.00 0.00 H new ATOM 0 HG LEU A 163 -2.612 -6.936 -12.396 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -1.663 -7.154 -14.768 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -2.050 -5.458 -14.392 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -0.364 -6.023 -14.322 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -1.050 -8.743 -12.998 1.00 0.00 H new ATOM 0 HD22 LEU A 163 0.326 -7.686 -12.603 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -0.807 -8.188 -11.325 1.00 0.00 H new ATOM 1114 N ARG A 164 -0.643 -7.124 -8.983 1.00 0.00 N ATOM 1115 CA ARG A 164 -0.721 -8.335 -8.136 1.00 0.00 C ATOM 1116 C ARG A 164 -1.090 -8.110 -6.653 1.00 0.00 C ATOM 1117 O ARG A 164 -1.843 -8.936 -6.128 1.00 0.00 O ATOM 1118 CB ARG A 164 0.635 -9.030 -8.229 1.00 0.00 C ATOM 1119 CG ARG A 164 0.551 -10.489 -7.757 1.00 0.00 C ATOM 1120 CD ARG A 164 1.904 -11.209 -7.872 1.00 0.00 C ATOM 1121 NE ARG A 164 1.807 -12.643 -7.497 1.00 0.00 N ATOM 1122 CZ ARG A 164 2.849 -13.411 -7.123 1.00 0.00 C ATOM 1123 NH1 ARG A 164 4.103 -12.973 -7.022 1.00 0.00 N ATOM 1124 NH2 ARG A 164 2.613 -14.678 -6.835 1.00 0.00 N ATOM 0 H ARG A 164 0.309 -6.809 -9.171 1.00 0.00 H new ATOM 0 HA ARG A 164 -1.547 -8.933 -8.520 1.00 0.00 H new ATOM 0 HB2 ARG A 164 0.991 -8.999 -9.259 1.00 0.00 H new ATOM 0 HB3 ARG A 164 1.364 -8.491 -7.623 1.00 0.00 H new ATOM 0 HG2 ARG A 164 0.212 -10.516 -6.721 1.00 0.00 H new ATOM 0 HG3 ARG A 164 -0.194 -11.020 -8.350 1.00 0.00 H new ATOM 0 HD2 ARG A 164 2.273 -11.126 -8.894 1.00 0.00 H new ATOM 0 HD3 ARG A 164 2.633 -10.715 -7.229 1.00 0.00 H new ATOM 0 HE ARG A 164 0.885 -13.078 -7.525 1.00 0.00 H new ATOM 0 HH11 ARG A 164 4.322 -12.000 -7.234 1.00 0.00 H new ATOM 0 HH12 ARG A 164 4.844 -13.611 -6.732 1.00 0.00 H new ATOM 0 HH21 ARG A 164 1.664 -15.047 -6.899 1.00 0.00 H new ATOM 0 HH22 ARG A 164 3.379 -15.287 -6.549 1.00 0.00 H new ATOM 1138 N ILE A 165 -0.597 -7.041 -5.971 1.00 0.00 N ATOM 1139 CA ILE A 165 -1.076 -6.726 -4.589 1.00 0.00 C ATOM 1140 C ILE A 165 -2.554 -6.154 -4.627 1.00 0.00 C ATOM 1141 O ILE A 165 -3.313 -6.531 -3.727 1.00 0.00 O ATOM 1142 CB ILE A 165 -0.100 -5.860 -3.690 1.00 0.00 C ATOM 1143 CG1 ILE A 165 1.447 -6.161 -3.664 1.00 0.00 C ATOM 1144 CG2 ILE A 165 -0.610 -5.916 -2.222 1.00 0.00 C ATOM 1145 CD1 ILE A 165 1.924 -7.615 -3.633 1.00 0.00 C ATOM 0 H ILE A 165 0.108 -6.400 -6.336 1.00 0.00 H new ATOM 0 HA ILE A 165 -1.081 -7.683 -4.067 1.00 0.00 H new ATOM 0 HB ILE A 165 -0.147 -4.889 -4.183 1.00 0.00 H new ATOM 0 HG12 ILE A 165 1.888 -5.690 -4.542 1.00 0.00 H new ATOM 0 HG13 ILE A 165 1.864 -5.660 -2.790 1.00 0.00 H new ATOM 0 HG21 ILE A 165 0.049 -5.325 -1.585 1.00 0.00 H new ATOM 0 HG22 ILE A 165 -1.621 -5.512 -2.172 1.00 0.00 H new ATOM 0 HG23 ILE A 165 -0.616 -6.950 -1.878 1.00 0.00 H new ATOM 0 HD11 ILE A 165 3.014 -7.640 -3.618 1.00 0.00 H new ATOM 0 HD12 ILE A 165 1.537 -8.106 -2.740 1.00 0.00 H new ATOM 0 HD13 ILE A 165 1.561 -8.136 -4.519 1.00 0.00 H new ATOM 1157 N MET A 166 -3.012 -5.342 -5.626 1.00 0.00 N ATOM 1158 CA MET A 166 -4.465 -4.998 -5.774 1.00 0.00 C ATOM 1159 C MET A 166 -5.410 -6.229 -5.977 1.00 0.00 C ATOM 1160 O MET A 166 -6.439 -6.295 -5.297 1.00 0.00 O ATOM 1161 CB MET A 166 -4.669 -3.937 -6.891 1.00 0.00 C ATOM 1162 CG MET A 166 -6.033 -3.220 -6.890 1.00 0.00 C ATOM 1163 SD MET A 166 -7.319 -4.277 -7.595 1.00 0.00 S ATOM 1164 CE MET A 166 -8.809 -3.505 -6.934 1.00 0.00 C ATOM 0 H MET A 166 -2.409 -4.918 -6.331 1.00 0.00 H new ATOM 0 HA MET A 166 -4.763 -4.572 -4.816 1.00 0.00 H new ATOM 0 HB2 MET A 166 -3.884 -3.186 -6.801 1.00 0.00 H new ATOM 0 HB3 MET A 166 -4.535 -4.423 -7.857 1.00 0.00 H new ATOM 0 HG2 MET A 166 -6.302 -2.944 -5.871 1.00 0.00 H new ATOM 0 HG3 MET A 166 -5.963 -2.295 -7.463 1.00 0.00 H new ATOM 0 HE1 MET A 166 -9.686 -4.049 -7.284 1.00 0.00 H new ATOM 0 HE2 MET A 166 -8.778 -3.528 -5.845 1.00 0.00 H new ATOM 0 HE3 MET A 166 -8.864 -2.471 -7.273 1.00 0.00 H new ATOM 1174 N LYS A 167 -5.078 -7.180 -6.880 1.00 0.00 N ATOM 1175 CA LYS A 167 -5.929 -8.365 -7.154 1.00 0.00 C ATOM 1176 C LYS A 167 -6.089 -9.356 -5.977 1.00 0.00 C ATOM 1177 O LYS A 167 -7.202 -9.497 -5.465 1.00 0.00 O ATOM 1178 CB LYS A 167 -5.339 -9.083 -8.369 1.00 0.00 C ATOM 1179 CG LYS A 167 -6.315 -10.128 -8.934 1.00 0.00 C ATOM 1180 CD LYS A 167 -5.791 -10.832 -10.202 1.00 0.00 C ATOM 1181 CE LYS A 167 -6.794 -11.846 -10.787 1.00 0.00 C ATOM 1182 NZ LYS A 167 -6.259 -12.502 -11.994 1.00 0.00 N ATOM 0 H LYS A 167 -4.223 -7.151 -7.435 1.00 0.00 H new ATOM 0 HA LYS A 167 -6.939 -7.997 -7.332 1.00 0.00 H new ATOM 0 HB2 LYS A 167 -5.097 -8.354 -9.142 1.00 0.00 H new ATOM 0 HB3 LYS A 167 -4.405 -9.570 -8.087 1.00 0.00 H new ATOM 0 HG2 LYS A 167 -6.517 -10.877 -8.168 1.00 0.00 H new ATOM 0 HG3 LYS A 167 -7.264 -9.642 -9.163 1.00 0.00 H new ATOM 0 HD2 LYS A 167 -5.559 -10.082 -10.958 1.00 0.00 H new ATOM 0 HD3 LYS A 167 -4.859 -11.346 -9.967 1.00 0.00 H new ATOM 0 HE2 LYS A 167 -7.030 -12.600 -10.036 1.00 0.00 H new ATOM 0 HE3 LYS A 167 -7.726 -11.337 -11.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 167 -6.959 -13.178 -12.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 167 -6.057 -11.784 -12.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 167 -5.382 -13.008 -11.755 1.00 0.00 H new ATOM 1301 N TRP B 2 0.562 -2.030 1.260 1.00 0.00 N ATOM 1302 CA TRP B 2 0.504 -1.979 -0.233 1.00 0.00 C ATOM 1303 C TRP B 2 -0.932 -2.084 -0.835 1.00 0.00 C ATOM 1304 O TRP B 2 -1.122 -1.527 -1.912 1.00 0.00 O ATOM 1305 CB TRP B 2 1.368 -3.095 -0.863 1.00 0.00 C ATOM 1306 CG TRP B 2 2.789 -2.709 -1.256 1.00 0.00 C ATOM 1307 CD1 TRP B 2 3.933 -3.226 -0.635 1.00 0.00 C ATOM 1308 CD2 TRP B 2 3.249 -2.058 -2.400 1.00 0.00 C ATOM 1309 NE1 TRP B 2 5.091 -2.922 -1.357 1.00 0.00 N ATOM 1310 CE2 TRP B 2 4.661 -2.144 -2.413 1.00 0.00 C ATOM 1311 CE3 TRP B 2 2.565 -1.502 -3.510 1.00 0.00 C ATOM 1312 CZ2 TRP B 2 5.410 -1.591 -3.493 1.00 0.00 C ATOM 1313 CZ3 TRP B 2 3.316 -1.033 -4.589 1.00 0.00 C ATOM 1314 CH2 TRP B 2 4.715 -1.041 -4.572 1.00 0.00 C ATOM 0 HA TRP B 2 0.891 -0.990 -0.480 1.00 0.00 H new ATOM 0 HB2 TRP B 2 1.422 -3.925 -0.158 1.00 0.00 H new ATOM 0 HB3 TRP B 2 0.856 -3.464 -1.752 1.00 0.00 H new ATOM 0 HD1 TRP B 2 3.922 -3.789 0.286 1.00 0.00 H new ATOM 0 HE1 TRP B 2 6.046 -3.212 -1.149 1.00 0.00 H new ATOM 0 HE3 TRP B 2 1.487 -1.443 -3.521 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 6.490 -1.597 -3.477 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 2.803 -0.654 -5.461 1.00 0.00 H new ATOM 0 HH2 TRP B 2 5.262 -0.618 -5.401 1.00 0.00 H new ATOM 1325 N LYS B 3 -1.909 -2.787 -0.213 1.00 0.00 N ATOM 1326 CA LYS B 3 -3.335 -2.732 -0.639 1.00 0.00 C ATOM 1327 C LYS B 3 -4.046 -1.368 -0.418 1.00 0.00 C ATOM 1328 O LYS B 3 -4.801 -0.943 -1.295 1.00 0.00 O ATOM 1329 CB LYS B 3 -4.154 -3.778 0.120 1.00 0.00 C ATOM 1330 CG LYS B 3 -3.850 -5.201 -0.370 1.00 0.00 C ATOM 1331 CD LYS B 3 -4.837 -6.257 0.164 1.00 0.00 C ATOM 1332 CE LYS B 3 -4.582 -7.664 -0.411 1.00 0.00 C ATOM 1333 NZ LYS B 3 -5.594 -8.621 0.068 1.00 0.00 N ATOM 0 H LYS B 3 -1.739 -3.399 0.585 1.00 0.00 H new ATOM 0 HA LYS B 3 -3.294 -2.915 -1.713 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -3.938 -3.706 1.186 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -5.217 -3.569 -0.005 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -3.870 -5.214 -1.460 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -2.839 -5.473 -0.067 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -4.766 -6.296 1.251 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -5.855 -5.950 -0.078 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -4.600 -7.625 -1.500 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -3.588 -8.005 -0.121 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -5.400 -9.561 -0.333 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -5.558 -8.674 1.106 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -6.539 -8.305 -0.230 1.00 0.00 H new ATOM 1347 N LEU B 4 -3.807 -0.684 0.724 1.00 0.00 N ATOM 1348 CA LEU B 4 -4.254 0.726 0.950 1.00 0.00 C ATOM 1349 C LEU B 4 -3.631 1.759 -0.054 1.00 0.00 C ATOM 1350 O LEU B 4 -4.372 2.564 -0.622 1.00 0.00 O ATOM 1351 CB LEU B 4 -4.002 1.077 2.452 1.00 0.00 C ATOM 1352 CG LEU B 4 -4.699 2.314 3.091 1.00 0.00 C ATOM 1353 CD1 LEU B 4 -4.179 3.670 2.584 1.00 0.00 C ATOM 1354 CD2 LEU B 4 -6.239 2.258 3.024 1.00 0.00 C ATOM 0 H LEU B 4 -3.303 -1.083 1.516 1.00 0.00 H new ATOM 0 HA LEU B 4 -5.321 0.800 0.738 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -4.287 0.205 3.041 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -2.927 1.210 2.578 1.00 0.00 H new ATOM 0 HG LEU B 4 -4.414 2.246 4.141 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -4.719 4.476 3.081 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -3.115 3.757 2.804 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -4.334 3.740 1.507 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -6.656 3.152 3.488 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -6.556 2.208 1.982 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -6.594 1.375 3.554 1.00 0.00 H new ATOM 1366 N LEU B 5 -2.301 1.710 -0.292 1.00 0.00 N ATOM 1367 CA LEU B 5 -1.616 2.471 -1.380 1.00 0.00 C ATOM 1368 C LEU B 5 -2.044 2.037 -2.827 1.00 0.00 C ATOM 1369 O LEU B 5 -2.117 2.892 -3.709 1.00 0.00 O ATOM 1370 CB LEU B 5 -0.071 2.363 -1.166 1.00 0.00 C ATOM 1371 CG LEU B 5 0.804 3.596 -1.543 1.00 0.00 C ATOM 1372 CD1 LEU B 5 2.270 3.350 -1.128 1.00 0.00 C ATOM 1373 CD2 LEU B 5 0.752 4.009 -3.029 1.00 0.00 C ATOM 0 H LEU B 5 -1.663 1.141 0.264 1.00 0.00 H new ATOM 0 HA LEU B 5 -1.929 3.513 -1.311 1.00 0.00 H new ATOM 0 HB2 LEU B 5 0.106 2.136 -0.115 1.00 0.00 H new ATOM 0 HB3 LEU B 5 0.288 1.510 -1.741 1.00 0.00 H new ATOM 0 HG LEU B 5 0.371 4.430 -0.991 1.00 0.00 H new ATOM 0 HD11 LEU B 5 2.874 4.217 -1.395 1.00 0.00 H new ATOM 0 HD12 LEU B 5 2.321 3.190 -0.051 1.00 0.00 H new ATOM 0 HD13 LEU B 5 2.651 2.469 -1.644 1.00 0.00 H new ATOM 0 HD21 LEU B 5 1.394 4.876 -3.188 1.00 0.00 H new ATOM 0 HD22 LEU B 5 1.098 3.182 -3.649 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.273 4.262 -3.301 1.00 0.00 H new ATOM 1385 N ALA B 6 -2.358 0.743 -3.069 1.00 0.00 N ATOM 1386 CA ALA B 6 -2.983 0.260 -4.323 1.00 0.00 C ATOM 1387 C ALA B 6 -4.414 0.803 -4.585 1.00 0.00 C ATOM 1388 O ALA B 6 -4.733 0.940 -5.759 1.00 0.00 O ATOM 1389 CB ALA B 6 -2.970 -1.275 -4.390 1.00 0.00 C ATOM 0 H ALA B 6 -2.183 -0.001 -2.394 1.00 0.00 H new ATOM 0 HA ALA B 6 -2.364 0.668 -5.122 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -3.435 -1.603 -5.320 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -1.941 -1.632 -4.353 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -3.525 -1.681 -3.544 1.00 0.00 H new ATOM 1395 N LYS B 7 -5.253 1.082 -3.558 1.00 0.00 N ATOM 1396 CA LYS B 7 -6.518 1.866 -3.700 1.00 0.00 C ATOM 1397 C LYS B 7 -6.262 3.374 -4.041 1.00 0.00 C ATOM 1398 O LYS B 7 -6.814 3.947 -5.006 1.00 0.00 O ATOM 1399 CB LYS B 7 -7.259 1.762 -2.365 1.00 0.00 C ATOM 1400 CG LYS B 7 -8.699 2.284 -2.487 1.00 0.00 C ATOM 1401 CD LYS B 7 -9.506 2.142 -1.181 1.00 0.00 C ATOM 1402 CE LYS B 7 -10.961 2.631 -1.318 1.00 0.00 C ATOM 1403 NZ LYS B 7 -11.705 2.476 -0.056 1.00 0.00 N ATOM 0 H LYS B 7 -5.077 0.772 -2.603 1.00 0.00 H new ATOM 0 HA LYS B 7 -7.098 1.458 -4.528 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -7.273 0.724 -2.033 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -6.726 2.332 -1.605 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -8.675 3.334 -2.780 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -9.209 1.742 -3.283 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -9.507 1.097 -0.873 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -9.011 2.707 -0.391 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -10.967 3.679 -1.618 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -11.461 2.070 -2.108 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -12.680 2.815 -0.184 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -11.720 1.473 0.217 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -11.241 3.031 0.691 1.00 0.00 H new ATOM 1417 N GLY B 8 -5.352 3.975 -3.231 1.00 0.00 N ATOM 1418 CA GLY B 8 -4.741 5.296 -3.497 1.00 0.00 C ATOM 1419 C GLY B 8 -4.331 5.555 -4.961 1.00 0.00 C ATOM 1420 O GLY B 8 -4.700 6.611 -5.479 1.00 0.00 O ATOM 0 H GLY B 8 -5.021 3.548 -2.366 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.445 6.070 -3.193 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.858 5.402 -2.866 1.00 0.00 H new ATOM 1424 N LEU B 9 -3.622 4.602 -5.623 1.00 0.00 N ATOM 1425 CA LEU B 9 -3.449 4.669 -7.104 1.00 0.00 C ATOM 1426 C LEU B 9 -4.532 3.882 -7.951 1.00 0.00 C ATOM 1427 O LEU B 9 -4.593 4.075 -9.165 1.00 0.00 O ATOM 1428 CB LEU B 9 -1.994 4.436 -7.554 1.00 0.00 C ATOM 1429 CG LEU B 9 -1.682 5.119 -8.931 1.00 0.00 C ATOM 1430 CD1 LEU B 9 -1.783 6.653 -9.058 1.00 0.00 C ATOM 1431 CD2 LEU B 9 -0.211 4.915 -9.295 1.00 0.00 C ATOM 0 H LEU B 9 -3.174 3.803 -5.175 1.00 0.00 H new ATOM 0 HA LEU B 9 -3.666 5.708 -7.352 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.314 4.825 -6.796 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.807 3.365 -7.631 1.00 0.00 H new ATOM 0 HG LEU B 9 -2.451 4.650 -9.545 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -1.534 6.951 -10.076 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -2.799 6.971 -8.825 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -1.087 7.122 -8.362 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -0.004 5.393 -10.253 1.00 0.00 H new ATOM 0 HD22 LEU B 9 0.419 5.358 -8.524 1.00 0.00 H new ATOM 0 HD23 LEU B 9 0.001 3.848 -9.368 1.00 0.00 H new ATOM 1443 N LEU B 10 -5.453 3.089 -7.371 1.00 0.00 N ATOM 1444 CA LEU B 10 -6.718 2.575 -8.047 1.00 0.00 C ATOM 1445 C LEU B 10 -7.575 3.746 -8.655 1.00 0.00 C ATOM 1446 O LEU B 10 -8.345 3.513 -9.588 1.00 0.00 O ATOM 1447 CB LEU B 10 -7.581 1.634 -7.154 1.00 0.00 C ATOM 1448 CG LEU B 10 -8.676 0.701 -7.758 1.00 0.00 C ATOM 1449 CD1 LEU B 10 -10.058 1.359 -7.936 1.00 0.00 C ATOM 1450 CD2 LEU B 10 -8.240 -0.055 -9.029 1.00 0.00 C ATOM 0 H LEU B 10 -5.363 2.768 -6.407 1.00 0.00 H new ATOM 0 HA LEU B 10 -6.368 1.952 -8.870 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -6.887 0.994 -6.609 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -8.077 2.266 -6.418 1.00 0.00 H new ATOM 0 HG LEU B 10 -8.800 -0.052 -6.980 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -10.753 0.635 -8.361 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -10.429 1.693 -6.967 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -9.970 2.215 -8.606 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -9.061 -0.679 -9.381 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -7.971 0.662 -9.805 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -7.379 -0.683 -8.801 1.00 0.00 H new ATOM 1462 N ILE B 11 -7.367 4.992 -8.160 1.00 0.00 N ATOM 1463 CA ILE B 11 -7.727 6.283 -8.859 1.00 0.00 C ATOM 1464 C ILE B 11 -7.517 6.370 -10.442 1.00 0.00 C ATOM 1465 O ILE B 11 -7.897 7.369 -11.058 1.00 0.00 O ATOM 1466 CB ILE B 11 -6.756 7.364 -8.198 1.00 0.00 C ATOM 1467 CG1 ILE B 11 -7.189 8.849 -8.367 1.00 0.00 C ATOM 1468 CG2 ILE B 11 -5.251 7.232 -8.645 1.00 0.00 C ATOM 1469 CD1 ILE B 11 -8.526 9.221 -7.709 1.00 0.00 C ATOM 0 H ILE B 11 -6.937 5.146 -7.248 1.00 0.00 H new ATOM 0 HA ILE B 11 -8.801 6.418 -8.734 1.00 0.00 H new ATOM 0 HB ILE B 11 -6.846 7.111 -7.142 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -6.409 9.487 -7.953 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -7.252 9.073 -9.432 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.656 8.002 -8.153 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -4.874 6.248 -8.366 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -5.180 7.355 -9.726 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -8.737 10.276 -7.884 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -9.324 8.615 -8.139 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -8.468 9.036 -6.636 1.00 0.00 H new ATOM 1481 N ARG B 12 -6.798 5.385 -11.027 1.00 0.00 N ATOM 1482 CA ARG B 12 -6.265 5.353 -12.416 1.00 0.00 C ATOM 1483 C ARG B 12 -7.082 5.947 -13.592 1.00 0.00 C ATOM 1484 O ARG B 12 -6.518 6.651 -14.435 1.00 0.00 O ATOM 1485 CB ARG B 12 -5.988 3.867 -12.737 1.00 0.00 C ATOM 1486 CG ARG B 12 -7.191 2.893 -12.670 1.00 0.00 C ATOM 1487 CD ARG B 12 -6.830 1.428 -13.025 1.00 0.00 C ATOM 1488 NE ARG B 12 -7.895 0.420 -12.768 1.00 0.00 N ATOM 1489 CZ ARG B 12 -8.953 0.182 -13.566 1.00 0.00 C ATOM 1490 NH1 ARG B 12 -9.218 0.866 -14.675 1.00 0.00 N ATOM 1491 NH2 ARG B 12 -9.780 -0.789 -13.224 1.00 0.00 N ATOM 0 H ARG B 12 -6.557 4.537 -10.514 1.00 0.00 H new ATOM 0 HA ARG B 12 -5.410 6.028 -12.376 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -5.563 3.811 -13.739 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -5.224 3.509 -12.047 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -7.613 2.920 -11.665 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -7.967 3.242 -13.351 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -6.562 1.385 -14.081 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -5.943 1.144 -12.459 1.00 0.00 H new ATOM 0 HE ARG B 12 -7.817 -0.136 -11.917 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -8.601 1.624 -14.966 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -10.038 0.633 -15.234 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -9.607 -1.332 -12.378 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -10.592 -0.996 -13.806 1.00 0.00 H new