USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=5 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 Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -135:sc= 0.0144 (180deg=0) USER MOD Single : A 120 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=-0.51) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.0871) USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 145 MET CE :methyl 179:sc= -0.16 (180deg=-0.163) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 160 GLN : amide:sc=-0.00307 X(o=-0.0031,f=0) 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 -5.160 -2.244 -14.951 1.00 0.00 N ATOM 200 CA ILE A 106 -4.083 -2.382 -13.909 1.00 0.00 C ATOM 201 C ILE A 106 -2.617 -2.370 -14.471 1.00 0.00 C ATOM 202 O ILE A 106 -1.751 -1.777 -13.819 1.00 0.00 O ATOM 203 CB ILE A 106 -4.335 -3.587 -12.920 1.00 0.00 C ATOM 204 CG1 ILE A 106 -4.526 -4.975 -13.607 1.00 0.00 C ATOM 205 CG2 ILE A 106 -5.478 -3.245 -11.923 1.00 0.00 C ATOM 206 CD1 ILE A 106 -4.827 -6.180 -12.697 1.00 0.00 C ATOM 0 HA ILE A 106 -4.164 -1.466 -13.324 1.00 0.00 H new ATOM 0 HB ILE A 106 -3.410 -3.711 -12.356 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -5.339 -4.885 -14.327 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.622 -5.198 -14.173 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -5.637 -4.087 -11.249 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -5.204 -2.364 -11.343 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.395 -3.044 -12.476 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.936 -7.078 -13.306 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -4.007 -6.317 -11.992 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -5.751 -6.000 -12.148 1.00 0.00 H new ATOM 218 N LEU A 107 -2.333 -2.950 -15.659 1.00 0.00 N ATOM 219 CA LEU A 107 -1.017 -2.788 -16.357 1.00 0.00 C ATOM 220 C LEU A 107 -0.761 -1.335 -16.874 1.00 0.00 C ATOM 221 O LEU A 107 0.337 -0.817 -16.654 1.00 0.00 O ATOM 222 CB LEU A 107 -0.887 -3.874 -17.472 1.00 0.00 C ATOM 223 CG LEU A 107 0.492 -4.149 -18.148 1.00 0.00 C ATOM 224 CD1 LEU A 107 0.926 -3.080 -19.172 1.00 0.00 C ATOM 225 CD2 LEU A 107 1.638 -4.459 -17.161 1.00 0.00 C ATOM 0 H LEU A 107 -2.995 -3.539 -16.164 1.00 0.00 H new ATOM 0 HA LEU A 107 -0.222 -2.947 -15.628 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.231 -4.816 -17.046 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.587 -3.608 -18.264 1.00 0.00 H new ATOM 0 HG LEU A 107 0.301 -5.064 -18.708 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.895 -3.351 -19.592 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.187 -3.021 -19.971 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.003 -2.112 -18.677 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.559 -4.637 -17.717 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.778 -3.613 -16.489 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.388 -5.346 -16.580 1.00 0.00 H new ATOM 237 N LYS A 108 -1.748 -0.675 -17.518 1.00 0.00 N ATOM 238 CA LYS A 108 -1.675 0.765 -17.873 1.00 0.00 C ATOM 239 C LYS A 108 -1.502 1.783 -16.709 1.00 0.00 C ATOM 240 O LYS A 108 -0.768 2.760 -16.868 1.00 0.00 O ATOM 241 CB LYS A 108 -2.973 1.049 -18.628 1.00 0.00 C ATOM 242 CG LYS A 108 -2.905 2.371 -19.401 1.00 0.00 C ATOM 243 CD LYS A 108 -4.172 2.637 -20.238 1.00 0.00 C ATOM 244 CE LYS A 108 -4.063 3.929 -21.064 1.00 0.00 C ATOM 245 NZ LYS A 108 -5.284 4.180 -21.849 1.00 0.00 N ATOM 0 H LYS A 108 -2.618 -1.122 -17.807 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.760 0.916 -18.446 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.176 0.233 -19.321 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -3.804 1.083 -17.923 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.760 3.191 -18.698 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -2.036 2.358 -20.059 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -4.347 1.794 -20.907 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -5.035 2.703 -19.576 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -3.879 4.772 -20.398 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -3.207 3.860 -21.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -5.173 5.060 -22.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -5.446 3.387 -22.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -6.097 4.271 -21.207 1.00 0.00 H new ATOM 259 N ALA A 109 -2.152 1.544 -15.555 1.00 0.00 N ATOM 260 CA ALA A 109 -1.907 2.306 -14.299 1.00 0.00 C ATOM 261 C ALA A 109 -0.493 2.068 -13.654 1.00 0.00 C ATOM 262 O ALA A 109 0.115 3.007 -13.124 1.00 0.00 O ATOM 263 CB ALA A 109 -3.102 2.025 -13.385 1.00 0.00 C ATOM 0 H ALA A 109 -2.863 0.819 -15.459 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.849 3.375 -14.506 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.975 2.561 -12.445 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -4.019 2.358 -13.872 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.165 0.955 -13.187 1.00 0.00 H new ATOM 269 N PHE A 110 0.075 0.838 -13.703 1.00 0.00 N ATOM 270 CA PHE A 110 1.528 0.608 -13.421 1.00 0.00 C ATOM 271 C PHE A 110 2.426 1.462 -14.407 1.00 0.00 C ATOM 272 O PHE A 110 3.457 1.974 -13.969 1.00 0.00 O ATOM 273 CB PHE A 110 1.801 -0.923 -13.437 1.00 0.00 C ATOM 274 CG PHE A 110 3.286 -1.356 -13.395 1.00 0.00 C ATOM 275 CD1 PHE A 110 4.067 -1.329 -14.559 1.00 0.00 C ATOM 276 CD2 PHE A 110 3.907 -1.589 -12.168 1.00 0.00 C ATOM 277 CE1 PHE A 110 5.458 -1.407 -14.473 1.00 0.00 C ATOM 278 CE2 PHE A 110 5.301 -1.629 -12.079 1.00 0.00 C ATOM 279 CZ PHE A 110 6.070 -1.546 -13.235 1.00 0.00 C ATOM 0 H PHE A 110 -0.441 -0.011 -13.933 1.00 0.00 H new ATOM 0 HA PHE A 110 1.803 0.961 -12.427 1.00 0.00 H new ATOM 0 HB2 PHE A 110 1.290 -1.370 -12.584 1.00 0.00 H new ATOM 0 HB3 PHE A 110 1.348 -1.342 -14.336 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.591 -1.248 -15.525 1.00 0.00 H new ATOM 0 HD2 PHE A 110 3.308 -1.739 -11.282 1.00 0.00 H new ATOM 0 HE1 PHE A 110 6.058 -1.359 -15.370 1.00 0.00 H new ATOM 0 HE2 PHE A 110 5.780 -1.724 -11.116 1.00 0.00 H new ATOM 0 HZ PHE A 110 7.147 -1.590 -13.169 1.00 0.00 H new ATOM 289 N LYS A 111 2.038 1.630 -15.698 1.00 0.00 N ATOM 290 CA LYS A 111 2.655 2.629 -16.620 1.00 0.00 C ATOM 291 C LYS A 111 2.395 4.119 -16.212 1.00 0.00 C ATOM 292 O LYS A 111 3.222 4.965 -16.562 1.00 0.00 O ATOM 293 CB LYS A 111 2.264 2.362 -18.088 1.00 0.00 C ATOM 294 CG LYS A 111 2.619 0.960 -18.648 1.00 0.00 C ATOM 295 CD LYS A 111 4.098 0.534 -18.496 1.00 0.00 C ATOM 296 CE LYS A 111 4.397 -0.861 -19.079 1.00 0.00 C ATOM 297 NZ LYS A 111 5.780 -1.285 -18.804 1.00 0.00 N ATOM 0 H LYS A 111 1.294 1.082 -16.130 1.00 0.00 H new ATOM 0 HA LYS A 111 3.732 2.488 -16.525 1.00 0.00 H new ATOM 0 HB2 LYS A 111 1.189 2.508 -18.188 1.00 0.00 H new ATOM 0 HB3 LYS A 111 2.747 3.113 -18.713 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.993 0.220 -18.149 1.00 0.00 H new ATOM 0 HG3 LYS A 111 2.359 0.935 -19.706 1.00 0.00 H new ATOM 0 HD2 LYS A 111 4.733 1.270 -18.990 1.00 0.00 H new ATOM 0 HD3 LYS A 111 4.364 0.542 -17.439 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.703 -1.588 -18.656 1.00 0.00 H new ATOM 0 HE3 LYS A 111 4.228 -0.848 -20.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 6.197 -1.688 -19.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 6.341 -0.464 -18.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 5.780 -2.003 -18.051 1.00 0.00 H new ATOM 311 N LEU A 112 1.305 4.451 -15.459 1.00 0.00 N ATOM 312 CA LEU A 112 1.169 5.769 -14.742 1.00 0.00 C ATOM 313 C LEU A 112 2.352 5.941 -13.735 1.00 0.00 C ATOM 314 O LEU A 112 2.900 7.048 -13.693 1.00 0.00 O ATOM 315 CB LEU A 112 -0.215 6.049 -14.065 1.00 0.00 C ATOM 316 CG LEU A 112 -1.392 6.265 -15.056 1.00 0.00 C ATOM 317 CD1 LEU A 112 -2.731 6.266 -14.301 1.00 0.00 C ATOM 318 CD2 LEU A 112 -1.275 7.564 -15.884 1.00 0.00 C ATOM 0 H LEU A 112 0.506 3.830 -15.329 1.00 0.00 H new ATOM 0 HA LEU A 112 1.217 6.529 -15.521 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.459 5.213 -13.409 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.123 6.933 -13.434 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.347 5.433 -15.759 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.547 6.418 -15.007 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.864 5.310 -13.794 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.733 7.070 -13.565 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.131 7.647 -16.553 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.254 8.423 -15.213 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.357 7.540 -16.471 1.00 0.00 H new ATOM 330 N PHE A 113 2.800 4.891 -12.981 1.00 0.00 N ATOM 331 CA PHE A 113 4.123 4.959 -12.286 1.00 0.00 C ATOM 332 C PHE A 113 5.310 5.164 -13.299 1.00 0.00 C ATOM 333 O PHE A 113 6.149 6.034 -13.068 1.00 0.00 O ATOM 334 CB PHE A 113 4.567 3.744 -11.403 1.00 0.00 C ATOM 335 CG PHE A 113 3.738 2.825 -10.475 1.00 0.00 C ATOM 336 CD1 PHE A 113 3.414 3.241 -9.172 1.00 0.00 C ATOM 337 CD2 PHE A 113 3.917 1.450 -10.712 1.00 0.00 C ATOM 338 CE1 PHE A 113 3.331 2.299 -8.139 1.00 0.00 C ATOM 339 CE2 PHE A 113 3.896 0.536 -9.663 1.00 0.00 C ATOM 340 CZ PHE A 113 3.557 0.957 -8.401 1.00 0.00 C ATOM 0 H PHE A 113 2.287 4.020 -12.842 1.00 0.00 H new ATOM 0 HA PHE A 113 3.936 5.802 -11.621 1.00 0.00 H new ATOM 0 HB2 PHE A 113 5.049 3.061 -12.102 1.00 0.00 H new ATOM 0 HB3 PHE A 113 5.349 4.146 -10.760 1.00 0.00 H new ATOM 0 HD1 PHE A 113 3.229 4.285 -8.968 1.00 0.00 H new ATOM 0 HD2 PHE A 113 4.073 1.099 -11.721 1.00 0.00 H new ATOM 0 HE1 PHE A 113 3.090 2.619 -7.136 1.00 0.00 H new ATOM 0 HE2 PHE A 113 4.145 -0.500 -9.841 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.465 0.234 -7.604 1.00 0.00 H new ATOM 350 N ASP A 114 5.375 4.355 -14.382 1.00 0.00 N ATOM 351 CA ASP A 114 6.546 4.247 -15.280 1.00 0.00 C ATOM 352 C ASP A 114 6.940 5.577 -16.006 1.00 0.00 C ATOM 353 O ASP A 114 6.340 5.993 -17.002 1.00 0.00 O ATOM 354 CB ASP A 114 6.275 3.045 -16.230 1.00 0.00 C ATOM 355 CG ASP A 114 7.509 2.392 -16.868 1.00 0.00 C ATOM 356 OD1 ASP A 114 8.656 2.739 -16.504 1.00 0.00 O ATOM 357 OD2 ASP A 114 7.333 1.501 -17.728 1.00 0.00 O ATOM 0 H ASP A 114 4.602 3.750 -14.660 1.00 0.00 H new ATOM 0 HA ASP A 114 7.444 4.058 -14.692 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.734 2.282 -15.670 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.615 3.382 -17.029 1.00 0.00 H new ATOM 422 N LYS A 120 10.497 -0.616 -14.404 1.00 0.00 N ATOM 423 CA LYS A 120 10.501 -0.734 -12.917 1.00 0.00 C ATOM 424 C LYS A 120 10.650 0.653 -12.239 1.00 0.00 C ATOM 425 O LYS A 120 11.306 1.546 -12.789 1.00 0.00 O ATOM 426 CB LYS A 120 11.670 -1.591 -12.376 1.00 0.00 C ATOM 427 CG LYS A 120 11.532 -3.132 -12.458 1.00 0.00 C ATOM 428 CD LYS A 120 11.938 -3.821 -13.780 1.00 0.00 C ATOM 429 CE LYS A 120 13.455 -3.846 -14.048 1.00 0.00 C ATOM 430 NZ LYS A 120 13.771 -4.552 -15.303 1.00 0.00 N ATOM 0 HA LYS A 120 9.547 -1.205 -12.681 1.00 0.00 H new ATOM 0 HB2 LYS A 120 12.573 -1.306 -12.916 1.00 0.00 H new ATOM 0 HB3 LYS A 120 11.826 -1.323 -11.331 1.00 0.00 H new ATOM 0 HG2 LYS A 120 12.131 -3.565 -11.657 1.00 0.00 H new ATOM 0 HG3 LYS A 120 10.492 -3.387 -12.253 1.00 0.00 H new ATOM 0 HD2 LYS A 120 11.567 -4.846 -13.770 1.00 0.00 H new ATOM 0 HD3 LYS A 120 11.444 -3.311 -14.607 1.00 0.00 H new ATOM 0 HE2 LYS A 120 13.833 -2.825 -14.099 1.00 0.00 H new ATOM 0 HE3 LYS A 120 13.964 -4.334 -13.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 14.800 -4.550 -15.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 13.431 -5.533 -15.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 13.305 -4.071 -16.099 1.00 0.00 H new ATOM 444 N ILE A 121 10.065 0.824 -11.027 1.00 0.00 N ATOM 445 CA ILE A 121 9.942 2.180 -10.386 1.00 0.00 C ATOM 446 C ILE A 121 10.493 2.318 -8.924 1.00 0.00 C ATOM 447 O ILE A 121 10.851 1.345 -8.255 1.00 0.00 O ATOM 448 CB ILE A 121 8.466 2.714 -10.524 1.00 0.00 C ATOM 449 CG1 ILE A 121 7.298 1.858 -9.973 1.00 0.00 C ATOM 450 CG2 ILE A 121 8.195 3.131 -11.989 1.00 0.00 C ATOM 451 CD1 ILE A 121 7.314 1.620 -8.474 1.00 0.00 C ATOM 0 H ILE A 121 9.674 0.062 -10.473 1.00 0.00 H new ATOM 0 HA ILE A 121 10.621 2.819 -10.950 1.00 0.00 H new ATOM 0 HB ILE A 121 8.455 3.561 -9.838 1.00 0.00 H new ATOM 0 HG12 ILE A 121 6.359 2.344 -10.236 1.00 0.00 H new ATOM 0 HG13 ILE A 121 7.309 0.892 -10.477 1.00 0.00 H new ATOM 0 HG21 ILE A 121 7.173 3.500 -12.079 1.00 0.00 H new ATOM 0 HG22 ILE A 121 8.891 3.918 -12.278 1.00 0.00 H new ATOM 0 HG23 ILE A 121 8.329 2.270 -12.643 1.00 0.00 H new ATOM 0 HD11 ILE A 121 6.455 1.011 -8.193 1.00 0.00 H new ATOM 0 HD12 ILE A 121 8.232 1.102 -8.198 1.00 0.00 H new ATOM 0 HD13 ILE A 121 7.267 2.576 -7.953 1.00 0.00 H new ATOM 463 N SER A 122 10.538 3.593 -8.465 1.00 0.00 N ATOM 464 CA SER A 122 10.982 4.005 -7.108 1.00 0.00 C ATOM 465 C SER A 122 9.816 4.613 -6.248 1.00 0.00 C ATOM 466 O SER A 122 8.711 4.870 -6.734 1.00 0.00 O ATOM 467 CB SER A 122 12.176 4.973 -7.322 1.00 0.00 C ATOM 468 OG SER A 122 12.840 5.269 -6.101 1.00 0.00 O ATOM 0 H SER A 122 10.259 4.385 -9.043 1.00 0.00 H new ATOM 0 HA SER A 122 11.300 3.146 -6.518 1.00 0.00 H new ATOM 0 HB2 SER A 122 12.883 4.529 -8.022 1.00 0.00 H new ATOM 0 HB3 SER A 122 11.818 5.898 -7.775 1.00 0.00 H new ATOM 0 HG SER A 122 13.587 5.879 -6.274 1.00 0.00 H new ATOM 474 N PHE A 123 10.120 4.854 -4.952 1.00 0.00 N ATOM 475 CA PHE A 123 9.293 5.617 -3.952 1.00 0.00 C ATOM 476 C PHE A 123 8.388 6.786 -4.469 1.00 0.00 C ATOM 477 O PHE A 123 7.186 6.847 -4.173 1.00 0.00 O ATOM 478 CB PHE A 123 10.320 6.077 -2.856 1.00 0.00 C ATOM 479 CG PHE A 123 9.785 6.909 -1.671 1.00 0.00 C ATOM 480 CD1 PHE A 123 9.553 8.283 -1.829 1.00 0.00 C ATOM 481 CD2 PHE A 123 9.446 6.295 -0.462 1.00 0.00 C ATOM 482 CE1 PHE A 123 8.875 8.999 -0.850 1.00 0.00 C ATOM 483 CE2 PHE A 123 8.815 7.029 0.538 1.00 0.00 C ATOM 484 CZ PHE A 123 8.477 8.364 0.321 1.00 0.00 C ATOM 0 H PHE A 123 10.988 4.511 -4.542 1.00 0.00 H new ATOM 0 HA PHE A 123 8.512 4.952 -3.582 1.00 0.00 H new ATOM 0 HB2 PHE A 123 10.798 5.186 -2.450 1.00 0.00 H new ATOM 0 HB3 PHE A 123 11.098 6.659 -3.350 1.00 0.00 H new ATOM 0 HD1 PHE A 123 9.903 8.788 -2.717 1.00 0.00 H new ATOM 0 HD2 PHE A 123 9.674 5.251 -0.304 1.00 0.00 H new ATOM 0 HE1 PHE A 123 8.658 10.046 -0.998 1.00 0.00 H new ATOM 0 HE2 PHE A 123 8.586 6.563 1.485 1.00 0.00 H new ATOM 0 HZ PHE A 123 7.907 8.904 1.062 1.00 0.00 H new ATOM 494 N LYS A 124 9.018 7.728 -5.186 1.00 0.00 N ATOM 495 CA LYS A 124 8.323 8.953 -5.681 1.00 0.00 C ATOM 496 C LYS A 124 7.240 8.711 -6.747 1.00 0.00 C ATOM 497 O LYS A 124 6.222 9.405 -6.717 1.00 0.00 O ATOM 498 CB LYS A 124 9.240 10.040 -6.265 1.00 0.00 C ATOM 499 CG LYS A 124 10.081 10.715 -5.177 1.00 0.00 C ATOM 500 CD LYS A 124 10.846 11.951 -5.683 1.00 0.00 C ATOM 501 CE LYS A 124 11.738 12.544 -4.582 1.00 0.00 C ATOM 502 NZ LYS A 124 12.449 13.749 -5.037 1.00 0.00 N ATOM 0 H LYS A 124 10.004 7.677 -5.442 1.00 0.00 H new ATOM 0 HA LYS A 124 7.872 9.294 -4.749 1.00 0.00 H new ATOM 0 HB2 LYS A 124 9.899 9.598 -7.012 1.00 0.00 H new ATOM 0 HB3 LYS A 124 8.636 10.790 -6.776 1.00 0.00 H new ATOM 0 HG2 LYS A 124 9.430 11.010 -4.354 1.00 0.00 H new ATOM 0 HG3 LYS A 124 10.793 9.993 -4.777 1.00 0.00 H new ATOM 0 HD2 LYS A 124 11.459 11.676 -6.542 1.00 0.00 H new ATOM 0 HD3 LYS A 124 10.137 12.705 -6.025 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.127 12.790 -3.714 1.00 0.00 H new ATOM 0 HE3 LYS A 124 12.462 11.796 -4.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 13.039 14.117 -4.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 13.053 13.510 -5.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 11.759 14.473 -5.320 1.00 0.00 H new ATOM 516 N ASN A 125 7.417 7.733 -7.656 1.00 0.00 N ATOM 517 CA ASN A 125 6.332 7.365 -8.625 1.00 0.00 C ATOM 518 C ASN A 125 5.010 6.873 -7.934 1.00 0.00 C ATOM 519 O ASN A 125 3.939 7.402 -8.289 1.00 0.00 O ATOM 520 CB ASN A 125 6.818 6.399 -9.742 1.00 0.00 C ATOM 521 CG ASN A 125 8.017 6.873 -10.595 1.00 0.00 C ATOM 522 OD1 ASN A 125 9.084 6.260 -10.597 1.00 0.00 O ATOM 523 ND2 ASN A 125 7.855 7.957 -11.343 1.00 0.00 N ATOM 0 H ASN A 125 8.274 7.187 -7.751 1.00 0.00 H new ATOM 0 HA ASN A 125 6.069 8.299 -9.122 1.00 0.00 H new ATOM 0 HB2 ASN A 125 7.084 5.449 -9.279 1.00 0.00 H new ATOM 0 HB3 ASN A 125 5.980 6.203 -10.411 1.00 0.00 H new ATOM 0 HD21 ASN A 125 8.620 8.291 -11.929 1.00 0.00 H new ATOM 0 HD22 ASN A 125 6.965 8.456 -11.332 1.00 0.00 H new ATOM 530 N LEU A 126 5.121 5.975 -6.900 1.00 0.00 N ATOM 531 CA LEU A 126 4.011 5.596 -5.963 1.00 0.00 C ATOM 532 C LEU A 126 3.289 6.884 -5.447 1.00 0.00 C ATOM 533 O LEU A 126 2.167 7.168 -5.876 1.00 0.00 O ATOM 534 CB LEU A 126 4.475 4.786 -4.692 1.00 0.00 C ATOM 535 CG LEU A 126 4.985 3.326 -4.719 1.00 0.00 C ATOM 536 CD1 LEU A 126 6.344 3.166 -5.410 1.00 0.00 C ATOM 537 CD2 LEU A 126 5.094 2.792 -3.271 1.00 0.00 C ATOM 0 H LEU A 126 5.994 5.490 -6.694 1.00 0.00 H new ATOM 0 HA LEU A 126 3.356 4.952 -6.549 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.270 5.374 -4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.631 4.798 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 126 4.260 2.755 -5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.640 2.117 -5.392 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.269 3.504 -6.443 1.00 0.00 H new ATOM 0 HD13 LEU A 126 7.091 3.763 -4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.453 1.763 -3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 126 5.792 3.410 -2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.114 2.826 -2.796 1.00 0.00 H new ATOM 549 N LYS A 127 4.008 7.692 -4.636 1.00 0.00 N ATOM 550 CA LYS A 127 3.527 8.991 -4.134 1.00 0.00 C ATOM 551 C LYS A 127 3.132 10.104 -5.144 1.00 0.00 C ATOM 552 O LYS A 127 2.522 11.085 -4.725 1.00 0.00 O ATOM 553 CB LYS A 127 4.742 9.522 -3.377 1.00 0.00 C ATOM 554 CG LYS A 127 4.379 10.641 -2.372 1.00 0.00 C ATOM 555 CD LYS A 127 5.608 11.142 -1.580 1.00 0.00 C ATOM 556 CE LYS A 127 5.327 12.248 -0.541 1.00 0.00 C ATOM 557 NZ LYS A 127 4.557 11.771 0.624 1.00 0.00 N ATOM 0 H LYS A 127 4.945 7.455 -4.311 1.00 0.00 H new ATOM 0 HA LYS A 127 2.595 8.795 -3.603 1.00 0.00 H new ATOM 0 HB2 LYS A 127 5.219 8.701 -2.843 1.00 0.00 H new ATOM 0 HB3 LYS A 127 5.471 9.904 -4.091 1.00 0.00 H new ATOM 0 HG2 LYS A 127 3.931 11.477 -2.909 1.00 0.00 H new ATOM 0 HG3 LYS A 127 3.627 10.270 -1.675 1.00 0.00 H new ATOM 0 HD2 LYS A 127 6.058 10.292 -1.067 1.00 0.00 H new ATOM 0 HD3 LYS A 127 6.348 11.514 -2.289 1.00 0.00 H new ATOM 0 HE2 LYS A 127 6.274 12.663 -0.197 1.00 0.00 H new ATOM 0 HE3 LYS A 127 4.780 13.059 -1.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 4.401 12.560 1.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 3.639 11.400 0.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 5.087 11.017 1.105 1.00 0.00 H new ATOM 571 N ARG A 128 3.557 10.027 -6.415 1.00 0.00 N ATOM 572 CA ARG A 128 3.484 11.165 -7.376 1.00 0.00 C ATOM 573 C ARG A 128 2.169 11.140 -8.138 1.00 0.00 C ATOM 574 O ARG A 128 1.367 12.071 -8.015 1.00 0.00 O ATOM 575 CB ARG A 128 4.702 11.162 -8.335 1.00 0.00 C ATOM 576 CG ARG A 128 6.000 11.769 -7.741 1.00 0.00 C ATOM 577 CD ARG A 128 6.226 13.281 -7.982 1.00 0.00 C ATOM 578 NE ARG A 128 5.307 14.191 -7.243 1.00 0.00 N ATOM 579 CZ ARG A 128 4.273 14.862 -7.794 1.00 0.00 C ATOM 580 NH1 ARG A 128 3.906 14.757 -9.070 1.00 0.00 N ATOM 581 NH2 ARG A 128 3.575 15.671 -7.018 1.00 0.00 N ATOM 0 H ARG A 128 3.962 9.181 -6.815 1.00 0.00 H new ATOM 0 HA ARG A 128 3.520 12.096 -6.810 1.00 0.00 H new ATOM 0 HB2 ARG A 128 4.904 10.135 -8.639 1.00 0.00 H new ATOM 0 HB3 ARG A 128 4.438 11.716 -9.236 1.00 0.00 H new ATOM 0 HG2 ARG A 128 5.999 11.591 -6.666 1.00 0.00 H new ATOM 0 HG3 ARG A 128 6.851 11.226 -8.153 1.00 0.00 H new ATOM 0 HD2 ARG A 128 7.252 13.526 -7.706 1.00 0.00 H new ATOM 0 HD3 ARG A 128 6.127 13.480 -9.049 1.00 0.00 H new ATOM 0 HE ARG A 128 5.471 14.317 -6.244 1.00 0.00 H new ATOM 0 HH11 ARG A 128 4.418 14.138 -9.699 1.00 0.00 H new ATOM 0 HH12 ARG A 128 3.113 15.295 -9.418 1.00 0.00 H new ATOM 0 HH21 ARG A 128 3.823 15.774 -6.034 1.00 0.00 H new ATOM 0 HH22 ARG A 128 2.788 16.193 -7.403 1.00 0.00 H new ATOM 595 N VAL A 129 1.952 10.055 -8.893 1.00 0.00 N ATOM 596 CA VAL A 129 0.615 9.790 -9.478 1.00 0.00 C ATOM 597 C VAL A 129 -0.463 9.439 -8.401 1.00 0.00 C ATOM 598 O VAL A 129 -1.597 9.906 -8.556 1.00 0.00 O ATOM 599 CB VAL A 129 0.731 8.783 -10.651 1.00 0.00 C ATOM 600 CG1 VAL A 129 1.124 9.505 -11.944 1.00 0.00 C ATOM 601 CG2 VAL A 129 1.646 7.549 -10.503 1.00 0.00 C ATOM 0 H VAL A 129 2.662 9.356 -9.114 1.00 0.00 H new ATOM 0 HA VAL A 129 0.234 10.714 -9.912 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.276 8.365 -10.662 1.00 0.00 H new ATOM 0 HG11 VAL A 129 1.200 8.782 -12.756 1.00 0.00 H new ATOM 0 HG12 VAL A 129 0.366 10.248 -12.191 1.00 0.00 H new ATOM 0 HG13 VAL A 129 2.086 9.999 -11.807 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.606 6.955 -11.416 1.00 0.00 H new ATOM 0 HG22 VAL A 129 2.671 7.875 -10.326 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.308 6.944 -9.662 1.00 0.00 H new ATOM 611 N ALA A 130 -0.154 8.659 -7.330 1.00 0.00 N ATOM 612 CA ALA A 130 -1.107 8.524 -6.172 1.00 0.00 C ATOM 613 C ALA A 130 -1.314 9.853 -5.377 1.00 0.00 C ATOM 614 O ALA A 130 -2.414 10.138 -4.896 1.00 0.00 O ATOM 615 CB ALA A 130 -0.719 7.395 -5.198 1.00 0.00 C ATOM 0 H ALA A 130 0.712 8.128 -7.235 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.056 8.262 -6.641 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -1.445 7.350 -4.386 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -0.709 6.443 -5.729 1.00 0.00 H new ATOM 0 HB3 ALA A 130 0.272 7.592 -4.788 1.00 0.00 H new ATOM 621 N LYS A 131 -0.241 10.659 -5.305 1.00 0.00 N ATOM 622 CA LYS A 131 -0.290 12.062 -4.802 1.00 0.00 C ATOM 623 C LYS A 131 -1.136 13.090 -5.613 1.00 0.00 C ATOM 624 O LYS A 131 -1.619 14.054 -5.012 1.00 0.00 O ATOM 625 CB LYS A 131 1.153 12.567 -4.697 1.00 0.00 C ATOM 626 CG LYS A 131 1.245 13.804 -3.788 1.00 0.00 C ATOM 627 CD LYS A 131 2.682 14.358 -3.640 1.00 0.00 C ATOM 628 CE LYS A 131 2.844 15.570 -2.698 1.00 0.00 C ATOM 629 NZ LYS A 131 2.629 15.236 -1.276 1.00 0.00 N ATOM 0 H LYS A 131 0.692 10.364 -5.592 1.00 0.00 H new ATOM 0 HA LYS A 131 -0.813 12.004 -3.847 1.00 0.00 H new ATOM 0 HB2 LYS A 131 1.790 11.775 -4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.528 12.814 -5.690 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.602 14.588 -4.189 1.00 0.00 H new ATOM 0 HG3 LYS A 131 0.859 13.549 -2.801 1.00 0.00 H new ATOM 0 HD2 LYS A 131 3.325 13.555 -3.281 1.00 0.00 H new ATOM 0 HD3 LYS A 131 3.046 14.639 -4.628 1.00 0.00 H new ATOM 0 HE2 LYS A 131 3.845 15.985 -2.820 1.00 0.00 H new ATOM 0 HE3 LYS A 131 2.139 16.347 -2.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 3.125 15.928 -0.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 1.611 15.261 -1.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 2.999 14.283 -1.083 1.00 0.00 H new ATOM 643 N GLU A 132 -1.332 12.893 -6.938 1.00 0.00 N ATOM 644 CA GLU A 132 -2.315 13.668 -7.768 1.00 0.00 C ATOM 645 C GLU A 132 -3.754 13.698 -7.162 1.00 0.00 C ATOM 646 O GLU A 132 -4.346 14.777 -7.062 1.00 0.00 O ATOM 647 CB GLU A 132 -2.404 13.177 -9.238 1.00 0.00 C ATOM 648 CG GLU A 132 -1.129 13.358 -10.102 1.00 0.00 C ATOM 649 CD GLU A 132 -1.411 13.756 -11.557 1.00 0.00 C ATOM 650 OE1 GLU A 132 -1.593 12.857 -12.407 1.00 0.00 O ATOM 651 OE2 GLU A 132 -1.449 14.971 -11.854 1.00 0.00 O ATOM 0 H GLU A 132 -0.817 12.193 -7.473 1.00 0.00 H new ATOM 0 HA GLU A 132 -1.911 14.680 -7.760 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -2.664 12.119 -9.230 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -3.225 13.703 -9.725 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -0.497 14.119 -9.644 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -0.562 12.427 -10.094 1.00 0.00 H new ATOM 658 N LEU A 133 -4.283 12.529 -6.732 1.00 0.00 N ATOM 659 CA LEU A 133 -5.513 12.447 -5.880 1.00 0.00 C ATOM 660 C LEU A 133 -5.323 13.197 -4.518 1.00 0.00 C ATOM 661 O LEU A 133 -6.116 14.081 -4.182 1.00 0.00 O ATOM 662 CB LEU A 133 -5.935 10.938 -5.745 1.00 0.00 C ATOM 663 CG LEU A 133 -6.693 10.406 -4.484 1.00 0.00 C ATOM 664 CD1 LEU A 133 -8.111 10.971 -4.267 1.00 0.00 C ATOM 665 CD2 LEU A 133 -6.756 8.865 -4.493 1.00 0.00 C ATOM 0 H LEU A 133 -3.881 11.619 -6.958 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.342 12.971 -6.356 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -6.558 10.706 -6.609 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -5.025 10.346 -5.839 1.00 0.00 H new ATOM 0 HG LEU A 133 -6.099 10.771 -3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -8.543 10.535 -3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -8.058 12.054 -4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -8.736 10.724 -5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -7.287 8.517 -3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -7.281 8.528 -5.387 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -5.744 8.459 -4.492 1.00 0.00 H new ATOM 773 N GLU A 141 4.899 4.724 6.534 1.00 0.00 N ATOM 774 CA GLU A 141 4.205 3.638 5.781 1.00 0.00 C ATOM 775 C GLU A 141 4.730 3.462 4.319 1.00 0.00 C ATOM 776 O GLU A 141 5.053 2.340 3.940 1.00 0.00 O ATOM 777 CB GLU A 141 2.668 3.838 5.810 1.00 0.00 C ATOM 778 CG GLU A 141 1.899 2.523 5.542 1.00 0.00 C ATOM 779 CD GLU A 141 0.405 2.698 5.250 1.00 0.00 C ATOM 780 OE1 GLU A 141 -0.388 2.856 6.206 1.00 0.00 O ATOM 781 OE2 GLU A 141 0.019 2.666 4.062 1.00 0.00 O ATOM 0 HA GLU A 141 4.444 2.708 6.296 1.00 0.00 H new ATOM 0 HB2 GLU A 141 2.374 4.237 6.781 1.00 0.00 H new ATOM 0 HB3 GLU A 141 2.386 4.580 5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 141 2.362 2.014 4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 141 2.011 1.870 6.408 1.00 0.00 H new ATOM 788 N LEU A 142 4.848 4.559 3.547 1.00 0.00 N ATOM 789 CA LEU A 142 5.451 4.597 2.179 1.00 0.00 C ATOM 790 C LEU A 142 6.876 3.932 2.024 1.00 0.00 C ATOM 791 O LEU A 142 7.093 3.096 1.134 1.00 0.00 O ATOM 792 CB LEU A 142 5.366 6.102 1.726 1.00 0.00 C ATOM 793 CG LEU A 142 4.789 6.364 0.312 1.00 0.00 C ATOM 794 CD1 LEU A 142 4.377 7.833 0.085 1.00 0.00 C ATOM 795 CD2 LEU A 142 5.746 5.955 -0.810 1.00 0.00 C ATOM 0 H LEU A 142 4.521 5.474 3.856 1.00 0.00 H new ATOM 0 HA LEU A 142 4.887 3.950 1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 142 4.756 6.643 2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 142 6.368 6.529 1.771 1.00 0.00 H new ATOM 0 HG LEU A 142 3.899 5.736 0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 142 3.981 7.948 -0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 142 3.612 8.112 0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 142 5.247 8.478 0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 142 5.285 6.163 -1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 142 6.674 6.521 -0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 142 5.962 4.889 -0.733 1.00 0.00 H new ATOM 807 N GLN A 143 7.813 4.262 2.940 1.00 0.00 N ATOM 808 CA GLN A 143 9.128 3.565 3.085 1.00 0.00 C ATOM 809 C GLN A 143 9.003 2.061 3.498 1.00 0.00 C ATOM 810 O GLN A 143 9.753 1.233 2.977 1.00 0.00 O ATOM 811 CB GLN A 143 10.039 4.326 4.092 1.00 0.00 C ATOM 812 CG GLN A 143 10.666 5.644 3.573 1.00 0.00 C ATOM 813 CD GLN A 143 11.518 6.385 4.619 1.00 0.00 C ATOM 814 OE1 GLN A 143 11.159 6.507 5.791 1.00 0.00 O ATOM 815 NE2 GLN A 143 12.648 6.934 4.205 1.00 0.00 N ATOM 0 H GLN A 143 7.686 5.023 3.608 1.00 0.00 H new ATOM 0 HA GLN A 143 9.583 3.573 2.095 1.00 0.00 H new ATOM 0 HB2 GLN A 143 9.454 4.551 4.984 1.00 0.00 H new ATOM 0 HB3 GLN A 143 10.845 3.659 4.399 1.00 0.00 H new ATOM 0 HG2 GLN A 143 11.287 5.422 2.705 1.00 0.00 H new ATOM 0 HG3 GLN A 143 9.868 6.305 3.234 1.00 0.00 H new ATOM 0 HE21 GLN A 143 12.940 6.829 3.233 1.00 0.00 H new ATOM 0 HE22 GLN A 143 13.228 7.462 4.858 1.00 0.00 H new ATOM 824 N GLU A 144 8.056 1.709 4.396 1.00 0.00 N ATOM 825 CA GLU A 144 7.687 0.294 4.688 1.00 0.00 C ATOM 826 C GLU A 144 7.156 -0.520 3.477 1.00 0.00 C ATOM 827 O GLU A 144 7.511 -1.697 3.365 1.00 0.00 O ATOM 828 CB GLU A 144 6.636 0.226 5.827 1.00 0.00 C ATOM 829 CG GLU A 144 7.134 0.486 7.265 1.00 0.00 C ATOM 830 CD GLU A 144 7.982 -0.644 7.858 1.00 0.00 C ATOM 831 OE1 GLU A 144 7.408 -1.599 8.427 1.00 0.00 O ATOM 832 OE2 GLU A 144 9.228 -0.582 7.757 1.00 0.00 O ATOM 0 H GLU A 144 7.525 2.389 4.939 1.00 0.00 H new ATOM 0 HA GLU A 144 8.628 -0.170 4.982 1.00 0.00 H new ATOM 0 HB2 GLU A 144 5.851 0.949 5.606 1.00 0.00 H new ATOM 0 HB3 GLU A 144 6.175 -0.762 5.803 1.00 0.00 H new ATOM 0 HG2 GLU A 144 7.720 1.405 7.272 1.00 0.00 H new ATOM 0 HG3 GLU A 144 6.271 0.653 7.910 1.00 0.00 H new ATOM 839 N MET A 145 6.341 0.080 2.579 1.00 0.00 N ATOM 840 CA MET A 145 5.973 -0.547 1.279 1.00 0.00 C ATOM 841 C MET A 145 7.213 -0.897 0.412 1.00 0.00 C ATOM 842 O MET A 145 7.403 -2.070 0.083 1.00 0.00 O ATOM 843 CB MET A 145 4.974 0.329 0.464 1.00 0.00 C ATOM 844 CG MET A 145 3.502 0.240 0.879 1.00 0.00 C ATOM 845 SD MET A 145 3.110 1.438 2.162 1.00 0.00 S ATOM 846 CE MET A 145 2.274 2.736 1.232 1.00 0.00 C ATOM 0 H MET A 145 5.923 0.999 2.727 1.00 0.00 H new ATOM 0 HA MET A 145 5.474 -1.481 1.536 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.289 1.370 0.541 1.00 0.00 H new ATOM 0 HB3 MET A 145 5.051 0.049 -0.587 1.00 0.00 H new ATOM 0 HG2 MET A 145 2.866 0.413 0.011 1.00 0.00 H new ATOM 0 HG3 MET A 145 3.284 -0.766 1.239 1.00 0.00 H new ATOM 0 HE1 MET A 145 1.964 3.529 1.912 1.00 0.00 H new ATOM 0 HE2 MET A 145 2.955 3.144 0.485 1.00 0.00 H new ATOM 0 HE3 MET A 145 1.397 2.321 0.736 1.00 0.00 H new ATOM 856 N ILE A 146 8.060 0.093 0.074 1.00 0.00 N ATOM 857 CA ILE A 146 9.217 -0.145 -0.845 1.00 0.00 C ATOM 858 C ILE A 146 10.307 -1.144 -0.322 1.00 0.00 C ATOM 859 O ILE A 146 10.796 -1.975 -1.092 1.00 0.00 O ATOM 860 CB ILE A 146 9.782 1.226 -1.364 1.00 0.00 C ATOM 861 CG1 ILE A 146 10.430 1.080 -2.770 1.00 0.00 C ATOM 862 CG2 ILE A 146 10.767 1.941 -0.405 1.00 0.00 C ATOM 863 CD1 ILE A 146 9.463 0.785 -3.928 1.00 0.00 C ATOM 0 H ILE A 146 7.978 1.053 0.410 1.00 0.00 H new ATOM 0 HA ILE A 146 8.826 -0.693 -1.702 1.00 0.00 H new ATOM 0 HB ILE A 146 8.902 1.867 -1.421 1.00 0.00 H new ATOM 0 HG12 ILE A 146 10.969 2.000 -2.998 1.00 0.00 H new ATOM 0 HG13 ILE A 146 11.169 0.280 -2.727 1.00 0.00 H new ATOM 0 HG21 ILE A 146 11.099 2.877 -0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 146 10.267 2.151 0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 146 11.630 1.299 -0.225 1.00 0.00 H new ATOM 0 HD11 ILE A 146 10.024 0.704 -4.859 1.00 0.00 H new ATOM 0 HD12 ILE A 146 8.941 -0.152 -3.736 1.00 0.00 H new ATOM 0 HD13 ILE A 146 8.737 1.594 -4.011 1.00 0.00 H new ATOM 875 N ASP A 147 10.625 -1.081 0.981 1.00 0.00 N ATOM 876 CA ASP A 147 11.448 -2.110 1.682 1.00 0.00 C ATOM 877 C ASP A 147 10.791 -3.532 1.721 1.00 0.00 C ATOM 878 O ASP A 147 11.517 -4.517 1.574 1.00 0.00 O ATOM 879 CB ASP A 147 11.843 -1.644 3.108 1.00 0.00 C ATOM 880 CG ASP A 147 12.805 -0.446 3.181 1.00 0.00 C ATOM 881 OD1 ASP A 147 13.935 -0.544 2.653 1.00 0.00 O ATOM 882 OD2 ASP A 147 12.441 0.591 3.778 1.00 0.00 O ATOM 0 H ASP A 147 10.324 -0.319 1.589 1.00 0.00 H new ATOM 0 HA ASP A 147 12.353 -2.214 1.083 1.00 0.00 H new ATOM 0 HB2 ASP A 147 10.933 -1.388 3.651 1.00 0.00 H new ATOM 0 HB3 ASP A 147 12.300 -2.484 3.630 1.00 0.00 H new ATOM 887 N GLU A 148 9.449 -3.655 1.873 1.00 0.00 N ATOM 888 CA GLU A 148 8.701 -4.921 1.705 1.00 0.00 C ATOM 889 C GLU A 148 8.864 -5.630 0.327 1.00 0.00 C ATOM 890 O GLU A 148 9.165 -6.827 0.298 1.00 0.00 O ATOM 891 CB GLU A 148 7.217 -4.556 1.944 1.00 0.00 C ATOM 892 CG GLU A 148 6.369 -5.751 2.399 1.00 0.00 C ATOM 893 CD GLU A 148 4.864 -5.458 2.495 1.00 0.00 C ATOM 894 OE1 GLU A 148 4.404 -4.993 3.562 1.00 0.00 O ATOM 895 OE2 GLU A 148 4.139 -5.692 1.502 1.00 0.00 O ATOM 0 H GLU A 148 8.851 -2.866 2.119 1.00 0.00 H new ATOM 0 HA GLU A 148 9.101 -5.649 2.410 1.00 0.00 H new ATOM 0 HB2 GLU A 148 7.159 -3.770 2.697 1.00 0.00 H new ATOM 0 HB3 GLU A 148 6.797 -4.149 1.024 1.00 0.00 H new ATOM 0 HG2 GLU A 148 6.523 -6.576 1.704 1.00 0.00 H new ATOM 0 HG3 GLU A 148 6.725 -6.084 3.374 1.00 0.00 H new ATOM 902 N ALA A 149 8.636 -4.901 -0.787 1.00 0.00 N ATOM 903 CA ALA A 149 8.650 -5.489 -2.152 1.00 0.00 C ATOM 904 C ALA A 149 10.022 -6.027 -2.644 1.00 0.00 C ATOM 905 O ALA A 149 10.056 -7.144 -3.171 1.00 0.00 O ATOM 906 CB ALA A 149 8.072 -4.481 -3.159 1.00 0.00 C ATOM 0 H ALA A 149 8.439 -3.900 -0.771 1.00 0.00 H new ATOM 0 HA ALA A 149 8.022 -6.378 -2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 149 8.085 -4.917 -4.158 1.00 0.00 H new ATOM 0 HB2 ALA A 149 7.046 -4.238 -2.882 1.00 0.00 H new ATOM 0 HB3 ALA A 149 8.675 -3.573 -3.152 1.00 0.00 H new ATOM 1001 N VAL A 157 11.033 -1.830 -8.278 1.00 0.00 N ATOM 1002 CA VAL A 157 9.774 -2.624 -8.349 1.00 0.00 C ATOM 1003 C VAL A 157 9.358 -2.969 -9.808 1.00 0.00 C ATOM 1004 O VAL A 157 9.831 -2.372 -10.777 1.00 0.00 O ATOM 1005 CB VAL A 157 8.721 -1.813 -7.503 1.00 0.00 C ATOM 1006 CG1 VAL A 157 7.252 -1.771 -7.978 1.00 0.00 C ATOM 1007 CG2 VAL A 157 8.769 -2.245 -6.030 1.00 0.00 C ATOM 0 HA VAL A 157 9.884 -3.621 -7.923 1.00 0.00 H new ATOM 0 HB VAL A 157 9.057 -0.787 -7.656 1.00 0.00 H new ATOM 0 HG11 VAL A 157 6.662 -1.172 -7.284 1.00 0.00 H new ATOM 0 HG12 VAL A 157 7.204 -1.327 -8.972 1.00 0.00 H new ATOM 0 HG13 VAL A 157 6.852 -2.784 -8.013 1.00 0.00 H new ATOM 0 HG21 VAL A 157 8.036 -1.675 -5.460 1.00 0.00 H new ATOM 0 HG22 VAL A 157 8.541 -3.308 -5.955 1.00 0.00 H new ATOM 0 HG23 VAL A 157 9.765 -2.059 -5.628 1.00 0.00 H new ATOM 1017 N SER A 158 8.479 -3.984 -9.901 1.00 0.00 N ATOM 1018 CA SER A 158 8.025 -4.607 -11.165 1.00 0.00 C ATOM 1019 C SER A 158 6.467 -4.619 -11.247 1.00 0.00 C ATOM 1020 O SER A 158 5.756 -4.250 -10.304 1.00 0.00 O ATOM 1021 CB SER A 158 8.649 -6.025 -11.282 1.00 0.00 C ATOM 1022 OG SER A 158 10.069 -5.968 -11.376 1.00 0.00 O ATOM 0 H SER A 158 8.051 -4.408 -9.078 1.00 0.00 H new ATOM 0 HA SER A 158 8.366 -4.020 -12.018 1.00 0.00 H new ATOM 0 HB2 SER A 158 8.365 -6.621 -10.414 1.00 0.00 H new ATOM 0 HB3 SER A 158 8.246 -6.529 -12.160 1.00 0.00 H new ATOM 0 HG SER A 158 10.429 -6.877 -11.446 1.00 0.00 H new ATOM 1028 N GLU A 159 5.950 -5.034 -12.423 1.00 0.00 N ATOM 1029 CA GLU A 159 4.478 -5.170 -12.718 1.00 0.00 C ATOM 1030 C GLU A 159 3.611 -5.854 -11.618 1.00 0.00 C ATOM 1031 O GLU A 159 2.554 -5.337 -11.241 1.00 0.00 O ATOM 1032 CB GLU A 159 4.203 -5.814 -14.106 1.00 0.00 C ATOM 1033 CG GLU A 159 4.900 -7.123 -14.546 1.00 0.00 C ATOM 1034 CD GLU A 159 4.360 -7.637 -15.889 1.00 0.00 C ATOM 1035 OE1 GLU A 159 4.852 -7.190 -16.950 1.00 0.00 O ATOM 1036 OE2 GLU A 159 3.442 -8.486 -15.887 1.00 0.00 O ATOM 0 H GLU A 159 6.538 -5.291 -13.216 1.00 0.00 H new ATOM 0 HA GLU A 159 4.147 -4.132 -12.730 1.00 0.00 H new ATOM 0 HB2 GLU A 159 3.129 -5.993 -14.164 1.00 0.00 H new ATOM 0 HB3 GLU A 159 4.442 -5.061 -14.857 1.00 0.00 H new ATOM 0 HG2 GLU A 159 5.974 -6.953 -14.628 1.00 0.00 H new ATOM 0 HG3 GLU A 159 4.756 -7.886 -13.781 1.00 0.00 H new ATOM 1043 N GLN A 160 4.141 -6.957 -11.073 1.00 0.00 N ATOM 1044 CA GLN A 160 3.625 -7.665 -9.870 1.00 0.00 C ATOM 1045 C GLN A 160 3.184 -6.813 -8.642 1.00 0.00 C ATOM 1046 O GLN A 160 2.313 -7.283 -7.911 1.00 0.00 O ATOM 1047 CB GLN A 160 4.701 -8.682 -9.394 1.00 0.00 C ATOM 1048 CG GLN A 160 4.983 -9.871 -10.344 1.00 0.00 C ATOM 1049 CD GLN A 160 6.040 -10.835 -9.785 1.00 0.00 C ATOM 1050 OE1 GLN A 160 7.237 -10.679 -10.025 1.00 0.00 O ATOM 1051 NE2 GLN A 160 5.632 -11.840 -9.025 1.00 0.00 N ATOM 0 H GLN A 160 4.970 -7.405 -11.463 1.00 0.00 H new ATOM 0 HA GLN A 160 2.697 -8.117 -10.221 1.00 0.00 H new ATOM 0 HB2 GLN A 160 5.635 -8.143 -9.233 1.00 0.00 H new ATOM 0 HB3 GLN A 160 4.392 -9.081 -8.428 1.00 0.00 H new ATOM 0 HG2 GLN A 160 4.056 -10.417 -10.522 1.00 0.00 H new ATOM 0 HG3 GLN A 160 5.318 -9.489 -11.308 1.00 0.00 H new ATOM 0 HE21 GLN A 160 4.638 -11.962 -8.831 1.00 0.00 H new ATOM 0 HE22 GLN A 160 6.312 -12.492 -8.634 1.00 0.00 H new ATOM 1060 N GLU A 161 3.733 -5.608 -8.390 1.00 0.00 N ATOM 1061 CA GLU A 161 3.357 -4.816 -7.192 1.00 0.00 C ATOM 1062 C GLU A 161 2.036 -4.020 -7.300 1.00 0.00 C ATOM 1063 O GLU A 161 1.128 -4.315 -6.519 1.00 0.00 O ATOM 1064 CB GLU A 161 4.538 -3.930 -6.771 1.00 0.00 C ATOM 1065 CG GLU A 161 5.685 -4.664 -6.049 1.00 0.00 C ATOM 1066 CD GLU A 161 6.497 -5.729 -6.797 1.00 0.00 C ATOM 1067 OE1 GLU A 161 7.521 -5.387 -7.424 1.00 0.00 O ATOM 1068 OE2 GLU A 161 6.127 -6.922 -6.737 1.00 0.00 O ATOM 0 H GLU A 161 4.429 -5.163 -8.988 1.00 0.00 H new ATOM 0 HA GLU A 161 3.139 -5.542 -6.409 1.00 0.00 H new ATOM 0 HB2 GLU A 161 4.941 -3.444 -7.659 1.00 0.00 H new ATOM 0 HB3 GLU A 161 4.165 -3.141 -6.118 1.00 0.00 H new ATOM 0 HG2 GLU A 161 6.386 -3.907 -5.699 1.00 0.00 H new ATOM 0 HG3 GLU A 161 5.261 -5.140 -5.165 1.00 0.00 H new ATOM 1075 N PHE A 162 1.869 -3.054 -8.229 1.00 0.00 N ATOM 1076 CA PHE A 162 0.509 -2.417 -8.417 1.00 0.00 C ATOM 1077 C PHE A 162 -0.521 -3.459 -8.945 1.00 0.00 C ATOM 1078 O PHE A 162 -1.592 -3.576 -8.345 1.00 0.00 O ATOM 1079 CB PHE A 162 0.525 -1.099 -9.251 1.00 0.00 C ATOM 1080 CG PHE A 162 -0.677 -0.091 -9.286 1.00 0.00 C ATOM 1081 CD1 PHE A 162 -1.954 -0.343 -8.736 1.00 0.00 C ATOM 1082 CD2 PHE A 162 -0.531 1.075 -10.067 1.00 0.00 C ATOM 1083 CE1 PHE A 162 -3.063 0.386 -9.144 1.00 0.00 C ATOM 1084 CE2 PHE A 162 -1.640 1.807 -10.447 1.00 0.00 C ATOM 1085 CZ PHE A 162 -2.904 1.427 -10.038 1.00 0.00 C ATOM 0 H PHE A 162 2.604 -2.699 -8.841 1.00 0.00 H new ATOM 0 HA PHE A 162 0.183 -2.094 -7.428 1.00 0.00 H new ATOM 0 HB2 PHE A 162 1.393 -0.532 -8.916 1.00 0.00 H new ATOM 0 HB3 PHE A 162 0.714 -1.390 -10.284 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -2.069 -1.113 -7.988 1.00 0.00 H new ATOM 0 HD2 PHE A 162 0.454 1.398 -10.370 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -4.044 0.141 -8.765 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -1.518 2.682 -11.068 1.00 0.00 H new ATOM 0 HZ PHE A 162 -3.771 1.946 -10.419 1.00 0.00 H new ATOM 1095 N LEU A 163 -0.197 -4.247 -9.992 1.00 0.00 N ATOM 1096 CA LEU A 163 -1.144 -5.251 -10.554 1.00 0.00 C ATOM 1097 C LEU A 163 -1.353 -6.523 -9.691 1.00 0.00 C ATOM 1098 O LEU A 163 -2.499 -6.965 -9.559 1.00 0.00 O ATOM 1099 CB LEU A 163 -0.689 -5.460 -12.030 1.00 0.00 C ATOM 1100 CG LEU A 163 -1.060 -6.697 -12.891 1.00 0.00 C ATOM 1101 CD1 LEU A 163 -0.655 -6.365 -14.339 1.00 0.00 C ATOM 1102 CD2 LEU A 163 -0.355 -8.012 -12.489 1.00 0.00 C ATOM 0 H LEU A 163 0.705 -4.213 -10.467 1.00 0.00 H new ATOM 0 HA LEU A 163 -2.171 -4.888 -10.536 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -1.042 -4.589 -12.582 1.00 0.00 H new ATOM 0 HB3 LEU A 163 0.400 -5.412 -12.021 1.00 0.00 H new ATOM 0 HG LEU A 163 -2.126 -6.877 -12.751 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -0.897 -7.208 -14.987 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -1.198 -5.482 -14.675 1.00 0.00 H new ATOM 0 HD13 LEU A 163 0.417 -6.170 -14.382 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -0.680 -8.816 -13.149 1.00 0.00 H new ATOM 0 HD22 LEU A 163 0.724 -7.887 -12.574 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -0.611 -8.262 -11.459 1.00 0.00 H new ATOM 1114 N ARG A 164 -0.289 -7.103 -9.113 1.00 0.00 N ATOM 1115 CA ARG A 164 -0.403 -8.304 -8.253 1.00 0.00 C ATOM 1116 C ARG A 164 -0.847 -8.065 -6.789 1.00 0.00 C ATOM 1117 O ARG A 164 -1.596 -8.904 -6.279 1.00 0.00 O ATOM 1118 CB ARG A 164 0.961 -8.985 -8.291 1.00 0.00 C ATOM 1119 CG ARG A 164 0.877 -10.435 -7.792 1.00 0.00 C ATOM 1120 CD ARG A 164 2.205 -11.186 -7.998 1.00 0.00 C ATOM 1121 NE ARG A 164 2.142 -12.612 -7.582 1.00 0.00 N ATOM 1122 CZ ARG A 164 2.513 -13.081 -6.373 1.00 0.00 C ATOM 1123 NH1 ARG A 164 2.970 -12.318 -5.382 1.00 0.00 N ATOM 1124 NH2 ARG A 164 2.413 -14.380 -6.158 1.00 0.00 N ATOM 0 H ARG A 164 0.666 -6.762 -9.223 1.00 0.00 H new ATOM 0 HA ARG A 164 -1.211 -8.916 -8.654 1.00 0.00 H new ATOM 0 HB2 ARG A 164 1.348 -8.971 -9.310 1.00 0.00 H new ATOM 0 HB3 ARG A 164 1.666 -8.427 -7.675 1.00 0.00 H new ATOM 0 HG2 ARG A 164 0.616 -10.441 -6.734 1.00 0.00 H new ATOM 0 HG3 ARG A 164 0.079 -10.956 -8.320 1.00 0.00 H new ATOM 0 HD2 ARG A 164 2.485 -11.133 -9.050 1.00 0.00 H new ATOM 0 HD3 ARG A 164 2.990 -10.684 -7.433 1.00 0.00 H new ATOM 0 HE ARG A 164 1.792 -13.287 -8.262 1.00 0.00 H new ATOM 0 HH11 ARG A 164 3.057 -11.310 -5.513 1.00 0.00 H new ATOM 0 HH12 ARG A 164 3.233 -12.741 -4.492 1.00 0.00 H new ATOM 0 HH21 ARG A 164 2.064 -14.993 -6.894 1.00 0.00 H new ATOM 0 HH22 ARG A 164 2.685 -14.770 -5.255 1.00 0.00 H new ATOM 1138 N ILE A 165 -0.434 -6.960 -6.117 1.00 0.00 N ATOM 1139 CA ILE A 165 -1.024 -6.593 -4.790 1.00 0.00 C ATOM 1140 C ILE A 165 -2.511 -6.087 -4.951 1.00 0.00 C ATOM 1141 O ILE A 165 -3.336 -6.489 -4.124 1.00 0.00 O ATOM 1142 CB ILE A 165 -0.150 -5.611 -3.914 1.00 0.00 C ATOM 1143 CG1 ILE A 165 1.393 -5.859 -3.770 1.00 0.00 C ATOM 1144 CG2 ILE A 165 -0.723 -5.543 -2.468 1.00 0.00 C ATOM 1145 CD1 ILE A 165 1.868 -7.273 -3.402 1.00 0.00 C ATOM 0 H ILE A 165 0.284 -6.319 -6.454 1.00 0.00 H new ATOM 0 HA ILE A 165 -1.031 -7.519 -4.215 1.00 0.00 H new ATOM 0 HB ILE A 165 -0.227 -4.692 -4.496 1.00 0.00 H new ATOM 0 HG12 ILE A 165 1.864 -5.584 -4.714 1.00 0.00 H new ATOM 0 HG13 ILE A 165 1.772 -5.173 -3.013 1.00 0.00 H new ATOM 0 HG21 ILE A 165 -0.117 -4.864 -1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 165 -1.750 -5.180 -2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 165 -0.704 -6.537 -2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 165 2.956 -7.287 -3.340 1.00 0.00 H new ATOM 0 HD12 ILE A 165 1.446 -7.560 -2.439 1.00 0.00 H new ATOM 0 HD13 ILE A 165 1.540 -7.978 -4.166 1.00 0.00 H new ATOM 1157 N MET A 166 -2.886 -5.288 -5.986 1.00 0.00 N ATOM 1158 CA MET A 166 -4.327 -4.982 -6.274 1.00 0.00 C ATOM 1159 C MET A 166 -5.234 -6.215 -6.625 1.00 0.00 C ATOM 1160 O MET A 166 -6.374 -6.265 -6.153 1.00 0.00 O ATOM 1161 CB MET A 166 -4.447 -3.904 -7.387 1.00 0.00 C ATOM 1162 CG MET A 166 -5.813 -3.205 -7.524 1.00 0.00 C ATOM 1163 SD MET A 166 -6.158 -2.174 -6.077 1.00 0.00 S ATOM 1164 CE MET A 166 -7.506 -3.063 -5.272 1.00 0.00 C ATOM 0 H MET A 166 -2.228 -4.847 -6.629 1.00 0.00 H new ATOM 0 HA MET A 166 -4.714 -4.608 -5.326 1.00 0.00 H new ATOM 0 HB2 MET A 166 -3.690 -3.141 -7.206 1.00 0.00 H new ATOM 0 HB3 MET A 166 -4.206 -4.371 -8.342 1.00 0.00 H new ATOM 0 HG2 MET A 166 -5.823 -2.591 -8.424 1.00 0.00 H new ATOM 0 HG3 MET A 166 -6.598 -3.952 -7.639 1.00 0.00 H new ATOM 0 HE1 MET A 166 -7.807 -2.529 -4.370 1.00 0.00 H new ATOM 0 HE2 MET A 166 -8.354 -3.132 -5.953 1.00 0.00 H new ATOM 0 HE3 MET A 166 -7.172 -4.066 -5.006 1.00 0.00 H new ATOM 1174 N LYS A 167 -4.760 -7.168 -7.454 1.00 0.00 N ATOM 1175 CA LYS A 167 -5.604 -8.243 -8.026 1.00 0.00 C ATOM 1176 C LYS A 167 -6.116 -9.306 -7.032 1.00 0.00 C ATOM 1177 O LYS A 167 -7.314 -9.331 -6.734 1.00 0.00 O ATOM 1178 CB LYS A 167 -4.770 -8.901 -9.123 1.00 0.00 C ATOM 1179 CG LYS A 167 -5.666 -9.644 -10.121 1.00 0.00 C ATOM 1180 CD LYS A 167 -4.883 -10.208 -11.328 1.00 0.00 C ATOM 1181 CE LYS A 167 -5.749 -10.904 -12.398 1.00 0.00 C ATOM 1182 NZ LYS A 167 -6.577 -9.966 -13.182 1.00 0.00 N ATOM 0 H LYS A 167 -3.784 -7.216 -7.746 1.00 0.00 H new ATOM 0 HA LYS A 167 -6.521 -7.781 -8.391 1.00 0.00 H new ATOM 0 HB2 LYS A 167 -4.187 -8.143 -9.646 1.00 0.00 H new ATOM 0 HB3 LYS A 167 -4.060 -9.598 -8.677 1.00 0.00 H new ATOM 0 HG2 LYS A 167 -6.172 -10.462 -9.608 1.00 0.00 H new ATOM 0 HG3 LYS A 167 -6.440 -8.966 -10.481 1.00 0.00 H new ATOM 0 HD2 LYS A 167 -4.335 -9.392 -11.800 1.00 0.00 H new ATOM 0 HD3 LYS A 167 -4.143 -10.920 -10.962 1.00 0.00 H new ATOM 0 HE2 LYS A 167 -5.100 -11.458 -13.076 1.00 0.00 H new ATOM 0 HE3 LYS A 167 -6.399 -11.632 -11.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 167 -7.134 -10.496 -13.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 167 -7.220 -9.454 -12.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 167 -5.962 -9.286 -13.672 1.00 0.00 H new ATOM 1301 N TRP B 2 0.754 -1.860 0.743 1.00 0.00 N ATOM 1302 CA TRP B 2 0.637 -1.720 -0.741 1.00 0.00 C ATOM 1303 C TRP B 2 -0.813 -1.841 -1.288 1.00 0.00 C ATOM 1304 O TRP B 2 -1.053 -1.259 -2.340 1.00 0.00 O ATOM 1305 CB TRP B 2 1.509 -2.747 -1.499 1.00 0.00 C ATOM 1306 CG TRP B 2 2.952 -2.348 -1.760 1.00 0.00 C ATOM 1307 CD1 TRP B 2 4.031 -2.968 -1.121 1.00 0.00 C ATOM 1308 CD2 TRP B 2 3.501 -1.609 -2.808 1.00 0.00 C ATOM 1309 NE1 TRP B 2 5.236 -2.664 -1.750 1.00 0.00 N ATOM 1310 CE2 TRP B 2 4.903 -1.793 -2.769 1.00 0.00 C ATOM 1311 CE3 TRP B 2 2.913 -0.846 -3.852 1.00 0.00 C ATOM 1312 CZ2 TRP B 2 5.739 -1.180 -3.744 1.00 0.00 C ATOM 1313 CZ3 TRP B 2 3.756 -0.276 -4.813 1.00 0.00 C ATOM 1314 CH2 TRP B 2 5.142 -0.448 -4.771 1.00 0.00 C ATOM 0 HA TRP B 2 0.990 -0.705 -0.924 1.00 0.00 H new ATOM 0 HB2 TRP B 2 1.509 -3.678 -0.933 1.00 0.00 H new ATOM 0 HB3 TRP B 2 1.034 -2.957 -2.457 1.00 0.00 H new ATOM 0 HD1 TRP B 2 3.941 -3.602 -0.251 1.00 0.00 H new ATOM 0 HE1 TRP B 2 6.165 -3.010 -1.510 1.00 0.00 H new ATOM 0 HE3 TRP B 2 1.843 -0.709 -3.903 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 6.813 -1.279 -3.690 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 3.323 0.313 -5.608 1.00 0.00 H new ATOM 0 HH2 TRP B 2 5.758 -0.009 -5.542 1.00 0.00 H new ATOM 1325 N LYS B 3 -1.745 -2.581 -0.649 1.00 0.00 N ATOM 1326 CA LYS B 3 -3.176 -2.612 -1.063 1.00 0.00 C ATOM 1327 C LYS B 3 -3.965 -1.291 -0.825 1.00 0.00 C ATOM 1328 O LYS B 3 -4.748 -0.890 -1.691 1.00 0.00 O ATOM 1329 CB LYS B 3 -3.841 -3.792 -0.351 1.00 0.00 C ATOM 1330 CG LYS B 3 -5.203 -4.130 -0.985 1.00 0.00 C ATOM 1331 CD LYS B 3 -5.852 -5.432 -0.470 1.00 0.00 C ATOM 1332 CE LYS B 3 -5.210 -6.727 -1.014 1.00 0.00 C ATOM 1333 NZ LYS B 3 -5.847 -7.923 -0.436 1.00 0.00 N ATOM 0 H LYS B 3 -1.537 -3.168 0.158 1.00 0.00 H new ATOM 0 HA LYS B 3 -3.199 -2.731 -2.146 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -3.188 -4.664 -0.399 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -3.977 -3.554 0.704 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -5.888 -3.302 -0.802 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -5.076 -4.206 -2.065 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -5.798 -5.444 0.619 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -6.909 -5.426 -0.736 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -5.301 -6.752 -2.100 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -4.145 -6.732 -0.783 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -5.395 -8.777 -0.820 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -5.738 -7.909 0.598 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -6.859 -7.929 -0.677 1.00 0.00 H new ATOM 1347 N LEU B 4 -3.730 -0.602 0.313 1.00 0.00 N ATOM 1348 CA LEU B 4 -4.237 0.781 0.563 1.00 0.00 C ATOM 1349 C LEU B 4 -3.725 1.847 -0.471 1.00 0.00 C ATOM 1350 O LEU B 4 -4.548 2.572 -1.043 1.00 0.00 O ATOM 1351 CB LEU B 4 -3.915 1.118 2.049 1.00 0.00 C ATOM 1352 CG LEU B 4 -4.496 2.426 2.652 1.00 0.00 C ATOM 1353 CD1 LEU B 4 -6.037 2.497 2.607 1.00 0.00 C ATOM 1354 CD2 LEU B 4 -4.008 2.588 4.107 1.00 0.00 C ATOM 0 H LEU B 4 -3.185 -0.981 1.088 1.00 0.00 H new ATOM 0 HA LEU B 4 -5.315 0.819 0.404 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -4.264 0.286 2.661 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -2.831 1.157 2.153 1.00 0.00 H new ATOM 0 HG LEU B 4 -4.131 3.244 2.030 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -6.371 3.438 3.045 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -6.374 2.439 1.572 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -6.456 1.665 3.172 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -4.417 3.507 4.528 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -4.343 1.737 4.700 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -2.919 2.635 4.122 1.00 0.00 H new ATOM 1366 N LEU B 5 -2.400 1.905 -0.750 1.00 0.00 N ATOM 1367 CA LEU B 5 -1.841 2.707 -1.880 1.00 0.00 C ATOM 1368 C LEU B 5 -2.219 2.168 -3.304 1.00 0.00 C ATOM 1369 O LEU B 5 -2.277 2.975 -4.229 1.00 0.00 O ATOM 1370 CB LEU B 5 -0.303 2.881 -1.690 1.00 0.00 C ATOM 1371 CG LEU B 5 0.396 3.942 -2.605 1.00 0.00 C ATOM 1372 CD1 LEU B 5 1.497 4.724 -1.860 1.00 0.00 C ATOM 1373 CD2 LEU B 5 0.986 3.347 -3.902 1.00 0.00 C ATOM 0 H LEU B 5 -1.692 1.407 -0.210 1.00 0.00 H new ATOM 0 HA LEU B 5 -2.315 3.688 -1.842 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -0.115 3.150 -0.650 1.00 0.00 H new ATOM 0 HB3 LEU B 5 0.174 1.916 -1.861 1.00 0.00 H new ATOM 0 HG LEU B 5 -0.404 4.627 -2.885 1.00 0.00 H new ATOM 0 HD11 LEU B 5 1.951 5.447 -2.537 1.00 0.00 H new ATOM 0 HD12 LEU B 5 1.060 5.248 -1.010 1.00 0.00 H new ATOM 0 HD13 LEU B 5 2.259 4.030 -1.505 1.00 0.00 H new ATOM 0 HD21 LEU B 5 1.454 4.140 -4.486 1.00 0.00 H new ATOM 0 HD22 LEU B 5 1.732 2.593 -3.650 1.00 0.00 H new ATOM 0 HD23 LEU B 5 0.189 2.888 -4.487 1.00 0.00 H new ATOM 1385 N ALA B 6 -2.501 0.858 -3.492 1.00 0.00 N ATOM 1386 CA ALA B 6 -3.074 0.300 -4.741 1.00 0.00 C ATOM 1387 C ALA B 6 -4.512 0.786 -5.066 1.00 0.00 C ATOM 1388 O ALA B 6 -4.795 0.893 -6.253 1.00 0.00 O ATOM 1389 CB ALA B 6 -3.017 -1.235 -4.756 1.00 0.00 C ATOM 0 H ALA B 6 -2.336 0.151 -2.775 1.00 0.00 H new ATOM 0 HA ALA B 6 -2.436 0.694 -5.532 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -3.446 -1.606 -5.687 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -1.980 -1.561 -4.679 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -3.585 -1.628 -3.913 1.00 0.00 H new ATOM 1395 N LYS B 7 -5.405 1.046 -4.081 1.00 0.00 N ATOM 1396 CA LYS B 7 -6.686 1.791 -4.319 1.00 0.00 C ATOM 1397 C LYS B 7 -6.440 3.300 -4.661 1.00 0.00 C ATOM 1398 O LYS B 7 -6.935 3.846 -5.674 1.00 0.00 O ATOM 1399 CB LYS B 7 -7.576 1.710 -3.073 1.00 0.00 C ATOM 1400 CG LYS B 7 -8.533 0.504 -3.111 1.00 0.00 C ATOM 1401 CD LYS B 7 -9.634 0.627 -4.187 1.00 0.00 C ATOM 1402 CE LYS B 7 -10.605 -0.571 -4.216 1.00 0.00 C ATOM 1403 NZ LYS B 7 -11.643 -0.402 -5.248 1.00 0.00 N ATOM 0 H LYS B 7 -5.271 0.755 -3.112 1.00 0.00 H new ATOM 0 HA LYS B 7 -7.174 1.321 -5.173 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -6.948 1.643 -2.185 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -8.157 2.628 -2.985 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -7.956 -0.402 -3.294 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -9.002 0.391 -2.134 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -10.202 1.540 -4.011 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -9.165 0.727 -5.166 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -10.047 -1.488 -4.407 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -11.076 -0.682 -3.239 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -12.278 -1.225 -5.240 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -12.191 0.460 -5.052 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -11.194 -0.321 -6.182 1.00 0.00 H new ATOM 1417 N GLY B 8 -5.596 3.939 -3.808 1.00 0.00 N ATOM 1418 CA GLY B 8 -5.013 5.273 -4.072 1.00 0.00 C ATOM 1419 C GLY B 8 -4.502 5.516 -5.513 1.00 0.00 C ATOM 1420 O GLY B 8 -4.826 6.573 -6.057 1.00 0.00 O ATOM 0 H GLY B 8 -5.303 3.539 -2.917 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.764 6.028 -3.842 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.183 5.428 -3.382 1.00 0.00 H new ATOM 1424 N LEU B 9 -3.753 4.559 -6.125 1.00 0.00 N ATOM 1425 CA LEU B 9 -3.475 4.609 -7.589 1.00 0.00 C ATOM 1426 C LEU B 9 -4.493 3.799 -8.496 1.00 0.00 C ATOM 1427 O LEU B 9 -4.481 3.976 -9.715 1.00 0.00 O ATOM 1428 CB LEU B 9 -1.990 4.393 -7.940 1.00 0.00 C ATOM 1429 CG LEU B 9 -1.610 5.058 -9.310 1.00 0.00 C ATOM 1430 CD1 LEU B 9 -1.705 6.592 -9.446 1.00 0.00 C ATOM 1431 CD2 LEU B 9 -0.128 4.841 -9.619 1.00 0.00 C ATOM 0 H LEU B 9 -3.339 3.761 -5.642 1.00 0.00 H new ATOM 0 HA LEU B 9 -3.679 5.644 -7.864 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.366 4.809 -7.149 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.779 3.325 -7.984 1.00 0.00 H new ATOM 0 HG LEU B 9 -2.348 4.583 -9.956 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -1.408 6.887 -10.452 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -2.731 6.911 -9.262 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -1.043 7.063 -8.720 1.00 0.00 H new ATOM 0 HD21 LEU B 9 0.117 5.309 -10.572 1.00 0.00 H new ATOM 0 HD22 LEU B 9 0.477 5.287 -8.830 1.00 0.00 H new ATOM 0 HD23 LEU B 9 0.079 3.772 -9.675 1.00 0.00 H new ATOM 1443 N LEU B 10 -5.433 2.993 -7.967 1.00 0.00 N ATOM 1444 CA LEU B 10 -6.650 2.468 -8.717 1.00 0.00 C ATOM 1445 C LEU B 10 -7.473 3.636 -9.384 1.00 0.00 C ATOM 1446 O LEU B 10 -8.184 3.400 -10.363 1.00 0.00 O ATOM 1447 CB LEU B 10 -7.559 1.526 -7.874 1.00 0.00 C ATOM 1448 CG LEU B 10 -8.694 0.756 -8.624 1.00 0.00 C ATOM 1449 CD1 LEU B 10 -8.813 -0.710 -8.161 1.00 0.00 C ATOM 1450 CD2 LEU B 10 -10.069 1.442 -8.477 1.00 0.00 C ATOM 0 H LEU B 10 -5.393 2.670 -7.000 1.00 0.00 H new ATOM 0 HA LEU B 10 -6.250 1.841 -9.514 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -6.920 0.791 -7.386 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -8.020 2.121 -7.086 1.00 0.00 H new ATOM 0 HG LEU B 10 -8.404 0.773 -9.675 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -9.615 -1.201 -8.712 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -7.873 -1.228 -8.349 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -9.035 -0.738 -7.094 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -10.822 0.867 -9.016 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -10.339 1.494 -7.422 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -10.019 2.450 -8.889 1.00 0.00 H new ATOM 1462 N ILE B 11 -7.300 4.881 -8.869 1.00 0.00 N ATOM 1463 CA ILE B 11 -7.616 6.174 -9.577 1.00 0.00 C ATOM 1464 C ILE B 11 -7.322 6.278 -11.138 1.00 0.00 C ATOM 1465 O ILE B 11 -7.677 7.292 -11.743 1.00 0.00 O ATOM 1466 CB ILE B 11 -6.678 7.256 -8.869 1.00 0.00 C ATOM 1467 CG1 ILE B 11 -7.100 8.744 -9.047 1.00 0.00 C ATOM 1468 CG2 ILE B 11 -5.152 7.138 -9.251 1.00 0.00 C ATOM 1469 CD1 ILE B 11 -8.489 9.108 -8.500 1.00 0.00 C ATOM 0 H ILE B 11 -6.930 5.030 -7.930 1.00 0.00 H new ATOM 0 HA ILE B 11 -8.696 6.301 -9.502 1.00 0.00 H new ATOM 0 HB ILE B 11 -6.821 6.989 -7.822 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -6.359 9.375 -8.556 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -7.072 8.987 -10.109 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.585 7.908 -8.728 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -4.780 6.155 -8.963 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -5.035 7.269 -10.327 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -8.683 10.166 -8.675 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -9.247 8.511 -9.007 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -8.523 8.905 -7.430 1.00 0.00 H new ATOM 1481 N ARG B 12 -6.572 5.305 -11.714 1.00 0.00 N ATOM 1482 CA ARG B 12 -5.970 5.329 -13.087 1.00 0.00 C ATOM 1483 C ARG B 12 -6.775 5.985 -14.260 1.00 0.00 C ATOM 1484 O ARG B 12 -6.177 6.655 -15.107 1.00 0.00 O ATOM 1485 CB ARG B 12 -5.489 3.895 -13.483 1.00 0.00 C ATOM 1486 CG ARG B 12 -6.380 2.632 -13.305 1.00 0.00 C ATOM 1487 CD ARG B 12 -7.646 2.495 -14.184 1.00 0.00 C ATOM 1488 NE ARG B 12 -8.905 2.655 -13.408 1.00 0.00 N ATOM 1489 CZ ARG B 12 -10.129 2.794 -13.951 1.00 0.00 C ATOM 1490 NH1 ARG B 12 -10.361 2.868 -15.260 1.00 0.00 N ATOM 1491 NH2 ARG B 12 -11.163 2.863 -13.133 1.00 0.00 N ATOM 0 H ARG B 12 -6.356 4.440 -11.218 1.00 0.00 H new ATOM 0 HA ARG B 12 -5.143 6.029 -12.970 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -5.218 3.938 -14.538 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -4.571 3.709 -12.925 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -5.755 1.757 -13.484 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -6.694 2.591 -12.262 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -7.615 3.243 -14.977 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -7.644 1.518 -14.667 1.00 0.00 H new ATOM 0 HE ARG B 12 -8.836 2.660 -12.390 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -9.584 2.819 -15.919 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -11.316 2.973 -15.604 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -11.020 2.811 -12.124 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -12.105 2.968 -13.510 1.00 0.00 H new