USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=2 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=-0.56) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 160 GLN : amide:sc= -0.0155 X(o=-0.015,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 -5.380 -2.203 -15.465 1.00 0.00 N ATOM 200 CA ILE A 106 -4.438 -2.539 -14.335 1.00 0.00 C ATOM 201 C ILE A 106 -2.927 -2.377 -14.726 1.00 0.00 C ATOM 202 O ILE A 106 -2.192 -1.678 -14.016 1.00 0.00 O ATOM 203 CB ILE A 106 -4.681 -3.947 -13.630 1.00 0.00 C ATOM 204 CG1 ILE A 106 -5.401 -5.067 -14.449 1.00 0.00 C ATOM 205 CG2 ILE A 106 -5.405 -3.766 -12.273 1.00 0.00 C ATOM 206 CD1 ILE A 106 -4.987 -6.509 -14.129 1.00 0.00 C ATOM 0 HA ILE A 106 -4.689 -1.787 -13.586 1.00 0.00 H new ATOM 0 HB ILE A 106 -3.664 -4.320 -13.512 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -6.475 -4.974 -14.287 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -5.222 -4.886 -15.509 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -5.560 -4.741 -11.810 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.796 -3.145 -11.616 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.369 -3.285 -12.436 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.552 -7.198 -14.758 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.921 -6.633 -14.321 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -5.193 -6.723 -13.080 1.00 0.00 H new ATOM 218 N LEU A 107 -2.475 -2.981 -15.848 1.00 0.00 N ATOM 219 CA LEU A 107 -1.100 -2.765 -16.395 1.00 0.00 C ATOM 220 C LEU A 107 -0.810 -1.280 -16.801 1.00 0.00 C ATOM 221 O LEU A 107 0.257 -0.767 -16.461 1.00 0.00 O ATOM 222 CB LEU A 107 -0.854 -3.790 -17.545 1.00 0.00 C ATOM 223 CG LEU A 107 0.604 -4.117 -17.989 1.00 0.00 C ATOM 224 CD1 LEU A 107 1.340 -2.956 -18.685 1.00 0.00 C ATOM 225 CD2 LEU A 107 1.473 -4.720 -16.866 1.00 0.00 C ATOM 0 H LEU A 107 -3.039 -3.626 -16.401 1.00 0.00 H new ATOM 0 HA LEU A 107 -0.375 -2.949 -15.602 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.323 -4.729 -17.250 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.389 -3.428 -18.423 1.00 0.00 H new ATOM 0 HG LEU A 107 0.462 -4.889 -18.745 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.346 -3.275 -18.958 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.795 -2.666 -19.583 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.401 -2.105 -18.007 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.474 -4.922 -17.249 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.537 -4.015 -16.037 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.024 -5.650 -16.518 1.00 0.00 H new ATOM 237 N LYS A 108 -1.760 -0.591 -17.471 1.00 0.00 N ATOM 238 CA LYS A 108 -1.711 0.878 -17.718 1.00 0.00 C ATOM 239 C LYS A 108 -1.553 1.790 -16.458 1.00 0.00 C ATOM 240 O LYS A 108 -0.808 2.768 -16.520 1.00 0.00 O ATOM 241 CB LYS A 108 -3.000 1.224 -18.497 1.00 0.00 C ATOM 242 CG LYS A 108 -3.000 2.626 -19.153 1.00 0.00 C ATOM 243 CD LYS A 108 -4.272 3.473 -18.933 1.00 0.00 C ATOM 244 CE LYS A 108 -4.408 4.061 -17.511 1.00 0.00 C ATOM 245 NZ LYS A 108 -5.623 4.884 -17.379 1.00 0.00 N ATOM 0 H LYS A 108 -2.591 -1.036 -17.861 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.798 1.091 -18.275 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.152 0.474 -19.273 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -3.849 1.155 -17.817 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.145 3.184 -18.772 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -2.849 2.504 -20.226 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -4.279 4.291 -19.654 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -5.146 2.856 -19.143 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -4.436 3.251 -16.783 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -3.531 4.666 -17.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -5.682 5.263 -16.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -5.584 5.671 -18.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -6.461 4.300 -17.574 1.00 0.00 H new ATOM 259 N ALA A 109 -2.239 1.469 -15.347 1.00 0.00 N ATOM 260 CA ALA A 109 -2.053 2.142 -14.034 1.00 0.00 C ATOM 261 C ALA A 109 -0.641 1.931 -13.383 1.00 0.00 C ATOM 262 O ALA A 109 -0.054 2.888 -12.857 1.00 0.00 O ATOM 263 CB ALA A 109 -3.242 1.737 -13.156 1.00 0.00 C ATOM 0 H ALA A 109 -2.944 0.732 -15.327 1.00 0.00 H new ATOM 0 HA ALA A 109 -2.052 3.224 -14.167 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.149 2.209 -12.178 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -4.170 2.060 -13.628 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.254 0.654 -13.037 1.00 0.00 H new ATOM 269 N PHE A 110 -0.061 0.703 -13.441 1.00 0.00 N ATOM 270 CA PHE A 110 1.393 0.491 -13.141 1.00 0.00 C ATOM 271 C PHE A 110 2.299 1.356 -14.106 1.00 0.00 C ATOM 272 O PHE A 110 3.326 1.853 -13.645 1.00 0.00 O ATOM 273 CB PHE A 110 1.689 -1.036 -13.147 1.00 0.00 C ATOM 274 CG PHE A 110 3.178 -1.456 -13.068 1.00 0.00 C ATOM 275 CD1 PHE A 110 3.979 -1.459 -14.217 1.00 0.00 C ATOM 276 CD2 PHE A 110 3.772 -1.704 -11.831 1.00 0.00 C ATOM 277 CE1 PHE A 110 5.366 -1.575 -14.113 1.00 0.00 C ATOM 278 CE2 PHE A 110 5.161 -1.788 -11.721 1.00 0.00 C ATOM 279 CZ PHE A 110 5.957 -1.722 -12.861 1.00 0.00 C ATOM 0 H PHE A 110 -0.564 -0.149 -13.689 1.00 0.00 H new ATOM 0 HA PHE A 110 1.646 0.850 -12.143 1.00 0.00 H new ATOM 0 HB2 PHE A 110 1.163 -1.488 -12.306 1.00 0.00 H new ATOM 0 HB3 PHE A 110 1.263 -1.462 -14.056 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.520 -1.371 -15.191 1.00 0.00 H new ATOM 0 HD2 PHE A 110 3.155 -1.832 -10.954 1.00 0.00 H new ATOM 0 HE1 PHE A 110 5.979 -1.551 -15.002 1.00 0.00 H new ATOM 0 HE2 PHE A 110 5.619 -1.904 -10.750 1.00 0.00 H new ATOM 0 HZ PHE A 110 7.032 -1.785 -12.774 1.00 0.00 H new ATOM 289 N LYS A 111 1.925 1.546 -15.398 1.00 0.00 N ATOM 290 CA LYS A 111 2.543 2.562 -16.301 1.00 0.00 C ATOM 291 C LYS A 111 2.314 4.047 -15.849 1.00 0.00 C ATOM 292 O LYS A 111 3.157 4.885 -16.176 1.00 0.00 O ATOM 293 CB LYS A 111 2.067 2.374 -17.757 1.00 0.00 C ATOM 294 CG LYS A 111 2.543 1.075 -18.450 1.00 0.00 C ATOM 295 CD LYS A 111 4.074 0.888 -18.617 1.00 0.00 C ATOM 296 CE LYS A 111 4.857 1.944 -19.433 1.00 0.00 C ATOM 297 NZ LYS A 111 4.539 1.946 -20.875 1.00 0.00 N ATOM 0 H LYS A 111 1.188 1.002 -15.846 1.00 0.00 H new ATOM 0 HA LYS A 111 3.617 2.384 -16.238 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.977 2.394 -17.770 1.00 0.00 H new ATOM 0 HB3 LYS A 111 2.409 3.225 -18.346 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.158 0.228 -17.883 1.00 0.00 H new ATOM 0 HG3 LYS A 111 2.086 1.031 -19.439 1.00 0.00 H new ATOM 0 HD2 LYS A 111 4.514 0.844 -17.621 1.00 0.00 H new ATOM 0 HD3 LYS A 111 4.242 -0.083 -19.083 1.00 0.00 H new ATOM 0 HE2 LYS A 111 4.648 2.932 -19.024 1.00 0.00 H new ATOM 0 HE3 LYS A 111 5.925 1.767 -19.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 5.101 2.678 -21.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 4.764 1.016 -21.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 3.527 2.145 -21.007 1.00 0.00 H new ATOM 311 N LEU A 112 1.225 4.385 -15.103 1.00 0.00 N ATOM 312 CA LEU A 112 1.096 5.699 -14.393 1.00 0.00 C ATOM 313 C LEU A 112 2.238 5.848 -13.341 1.00 0.00 C ATOM 314 O LEU A 112 2.803 6.945 -13.290 1.00 0.00 O ATOM 315 CB LEU A 112 -0.296 6.016 -13.769 1.00 0.00 C ATOM 316 CG LEU A 112 -1.502 5.998 -14.752 1.00 0.00 C ATOM 317 CD1 LEU A 112 -2.830 6.074 -13.981 1.00 0.00 C ATOM 318 CD2 LEU A 112 -1.452 7.114 -15.816 1.00 0.00 C ATOM 0 H LEU A 112 0.422 3.769 -14.975 1.00 0.00 H new ATOM 0 HA LEU A 112 1.194 6.451 -15.176 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.489 5.295 -12.975 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.248 7.000 -13.302 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.434 5.051 -15.287 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.661 6.060 -14.686 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.910 5.220 -13.309 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.862 6.996 -13.401 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.325 7.038 -16.465 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.450 8.086 -15.324 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.546 7.008 -16.413 1.00 0.00 H new ATOM 330 N PHE A 113 2.628 4.796 -12.553 1.00 0.00 N ATOM 331 CA PHE A 113 3.927 4.859 -11.810 1.00 0.00 C ATOM 332 C PHE A 113 5.127 4.967 -12.839 1.00 0.00 C ATOM 333 O PHE A 113 5.991 5.822 -12.672 1.00 0.00 O ATOM 334 CB PHE A 113 4.338 3.717 -10.816 1.00 0.00 C ATOM 335 CG PHE A 113 3.453 2.746 -9.994 1.00 0.00 C ATOM 336 CD1 PHE A 113 3.077 3.101 -8.690 1.00 0.00 C ATOM 337 CD2 PHE A 113 3.598 1.382 -10.298 1.00 0.00 C ATOM 338 CE1 PHE A 113 2.949 2.115 -7.702 1.00 0.00 C ATOM 339 CE2 PHE A 113 3.527 0.417 -9.291 1.00 0.00 C ATOM 340 CZ PHE A 113 3.179 0.789 -8.014 1.00 0.00 C ATOM 0 H PHE A 113 2.093 3.938 -12.420 1.00 0.00 H new ATOM 0 HA PHE A 113 3.739 5.726 -11.177 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.989 3.067 -11.400 1.00 0.00 H new ATOM 0 HB3 PHE A 113 4.964 4.212 -10.074 1.00 0.00 H new ATOM 0 HD1 PHE A 113 2.886 4.136 -8.447 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.766 1.077 -11.320 1.00 0.00 H new ATOM 0 HE1 PHE A 113 2.670 2.392 -6.696 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.745 -0.617 -9.514 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.084 0.036 -7.246 1.00 0.00 H new ATOM 350 N ASP A 114 5.193 4.107 -13.879 1.00 0.00 N ATOM 351 CA ASP A 114 6.351 4.017 -14.813 1.00 0.00 C ATOM 352 C ASP A 114 6.475 5.165 -15.886 1.00 0.00 C ATOM 353 O ASP A 114 6.655 4.892 -17.075 1.00 0.00 O ATOM 354 CB ASP A 114 6.262 2.582 -15.416 1.00 0.00 C ATOM 355 CG ASP A 114 7.568 2.032 -15.991 1.00 0.00 C ATOM 356 OD1 ASP A 114 8.407 1.539 -15.205 1.00 0.00 O ATOM 357 OD2 ASP A 114 7.758 2.085 -17.225 1.00 0.00 O ATOM 0 H ASP A 114 4.444 3.450 -14.100 1.00 0.00 H new ATOM 0 HA ASP A 114 7.282 4.179 -14.270 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.911 1.901 -14.641 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.509 2.583 -16.204 1.00 0.00 H new ATOM 422 N LYS A 120 10.560 -1.177 -14.375 1.00 0.00 N ATOM 423 CA LYS A 120 10.711 -1.094 -12.900 1.00 0.00 C ATOM 424 C LYS A 120 10.379 0.334 -12.393 1.00 0.00 C ATOM 425 O LYS A 120 10.490 1.318 -13.133 1.00 0.00 O ATOM 426 CB LYS A 120 12.161 -1.429 -12.531 1.00 0.00 C ATOM 427 CG LYS A 120 12.461 -2.940 -12.609 1.00 0.00 C ATOM 428 CD LYS A 120 12.525 -3.642 -11.234 1.00 0.00 C ATOM 429 CE LYS A 120 12.695 -5.169 -11.327 1.00 0.00 C ATOM 430 NZ LYS A 120 12.767 -5.792 -9.993 1.00 0.00 N ATOM 0 HA LYS A 120 10.023 -1.800 -12.435 1.00 0.00 H new ATOM 0 HB2 LYS A 120 12.835 -0.894 -13.200 1.00 0.00 H new ATOM 0 HB3 LYS A 120 12.366 -1.074 -11.521 1.00 0.00 H new ATOM 0 HG2 LYS A 120 11.693 -3.421 -13.215 1.00 0.00 H new ATOM 0 HG3 LYS A 120 13.411 -3.085 -13.124 1.00 0.00 H new ATOM 0 HD2 LYS A 120 13.355 -3.227 -10.662 1.00 0.00 H new ATOM 0 HD3 LYS A 120 11.613 -3.420 -10.680 1.00 0.00 H new ATOM 0 HE2 LYS A 120 11.860 -5.595 -11.883 1.00 0.00 H new ATOM 0 HE3 LYS A 120 13.601 -5.401 -11.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 12.881 -6.821 -10.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 13.579 -5.404 -9.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 11.891 -5.592 -9.469 1.00 0.00 H new ATOM 444 N ILE A 121 9.961 0.445 -11.117 1.00 0.00 N ATOM 445 CA ILE A 121 9.369 1.715 -10.556 1.00 0.00 C ATOM 446 C ILE A 121 10.004 2.161 -9.197 1.00 0.00 C ATOM 447 O ILE A 121 10.593 1.360 -8.461 1.00 0.00 O ATOM 448 CB ILE A 121 7.787 1.675 -10.526 1.00 0.00 C ATOM 449 CG1 ILE A 121 7.080 0.703 -9.546 1.00 0.00 C ATOM 450 CG2 ILE A 121 7.241 1.487 -11.968 1.00 0.00 C ATOM 451 CD1 ILE A 121 6.895 1.243 -8.124 1.00 0.00 C ATOM 0 H ILE A 121 10.014 -0.318 -10.442 1.00 0.00 H new ATOM 0 HA ILE A 121 9.643 2.505 -11.256 1.00 0.00 H new ATOM 0 HB ILE A 121 7.529 2.646 -10.102 1.00 0.00 H new ATOM 0 HG12 ILE A 121 6.101 0.448 -9.953 1.00 0.00 H new ATOM 0 HG13 ILE A 121 7.655 -0.222 -9.496 1.00 0.00 H new ATOM 0 HG21 ILE A 121 6.152 1.460 -11.944 1.00 0.00 H new ATOM 0 HG22 ILE A 121 7.570 2.318 -12.593 1.00 0.00 H new ATOM 0 HG23 ILE A 121 7.618 0.551 -12.381 1.00 0.00 H new ATOM 0 HD11 ILE A 121 6.392 0.494 -7.513 1.00 0.00 H new ATOM 0 HD12 ILE A 121 7.869 1.470 -7.691 1.00 0.00 H new ATOM 0 HD13 ILE A 121 6.292 2.150 -8.155 1.00 0.00 H new ATOM 463 N SER A 122 9.864 3.478 -8.905 1.00 0.00 N ATOM 464 CA SER A 122 10.567 4.174 -7.791 1.00 0.00 C ATOM 465 C SER A 122 9.602 4.830 -6.746 1.00 0.00 C ATOM 466 O SER A 122 8.466 5.205 -7.056 1.00 0.00 O ATOM 467 CB SER A 122 11.515 5.221 -8.428 1.00 0.00 C ATOM 468 OG SER A 122 12.378 5.806 -7.458 1.00 0.00 O ATOM 0 H SER A 122 9.254 4.096 -9.440 1.00 0.00 H new ATOM 0 HA SER A 122 11.126 3.437 -7.214 1.00 0.00 H new ATOM 0 HB2 SER A 122 12.111 4.746 -9.207 1.00 0.00 H new ATOM 0 HB3 SER A 122 10.925 6.001 -8.909 1.00 0.00 H new ATOM 0 HG SER A 122 12.964 6.460 -7.893 1.00 0.00 H new ATOM 474 N PHE A 123 10.138 5.004 -5.515 1.00 0.00 N ATOM 475 CA PHE A 123 9.507 5.711 -4.351 1.00 0.00 C ATOM 476 C PHE A 123 8.639 6.987 -4.635 1.00 0.00 C ATOM 477 O PHE A 123 7.513 7.120 -4.139 1.00 0.00 O ATOM 478 CB PHE A 123 10.670 5.958 -3.325 1.00 0.00 C ATOM 479 CG PHE A 123 10.407 6.931 -2.157 1.00 0.00 C ATOM 480 CD1 PHE A 123 9.674 6.529 -1.038 1.00 0.00 C ATOM 481 CD2 PHE A 123 10.737 8.285 -2.312 1.00 0.00 C ATOM 482 CE1 PHE A 123 9.222 7.478 -0.122 1.00 0.00 C ATOM 483 CE2 PHE A 123 10.276 9.229 -1.401 1.00 0.00 C ATOM 484 CZ PHE A 123 9.509 8.826 -0.315 1.00 0.00 C ATOM 0 H PHE A 123 11.064 4.643 -5.285 1.00 0.00 H new ATOM 0 HA PHE A 123 8.721 5.065 -3.959 1.00 0.00 H new ATOM 0 HB2 PHE A 123 10.952 4.994 -2.901 1.00 0.00 H new ATOM 0 HB3 PHE A 123 11.533 6.327 -3.880 1.00 0.00 H new ATOM 0 HD1 PHE A 123 9.457 5.483 -0.882 1.00 0.00 H new ATOM 0 HD2 PHE A 123 11.352 8.596 -3.143 1.00 0.00 H new ATOM 0 HE1 PHE A 123 8.648 7.167 0.738 1.00 0.00 H new ATOM 0 HE2 PHE A 123 10.514 10.274 -1.537 1.00 0.00 H new ATOM 0 HZ PHE A 123 9.134 9.561 0.382 1.00 0.00 H new ATOM 494 N LYS A 124 9.211 7.929 -5.394 1.00 0.00 N ATOM 495 CA LYS A 124 8.511 9.166 -5.807 1.00 0.00 C ATOM 496 C LYS A 124 7.329 8.938 -6.772 1.00 0.00 C ATOM 497 O LYS A 124 6.253 9.480 -6.515 1.00 0.00 O ATOM 498 CB LYS A 124 9.461 10.183 -6.452 1.00 0.00 C ATOM 499 CG LYS A 124 10.274 10.966 -5.415 1.00 0.00 C ATOM 500 CD LYS A 124 10.863 12.285 -5.962 1.00 0.00 C ATOM 501 CE LYS A 124 11.903 12.198 -7.101 1.00 0.00 C ATOM 502 NZ LYS A 124 13.168 11.564 -6.684 1.00 0.00 N ATOM 0 H LYS A 124 10.168 7.863 -5.741 1.00 0.00 H new ATOM 0 HA LYS A 124 8.113 9.557 -4.871 1.00 0.00 H new ATOM 0 HB2 LYS A 124 10.142 9.663 -7.126 1.00 0.00 H new ATOM 0 HB3 LYS A 124 8.884 10.881 -7.059 1.00 0.00 H new ATOM 0 HG2 LYS A 124 9.637 11.189 -4.559 1.00 0.00 H new ATOM 0 HG3 LYS A 124 11.087 10.337 -5.052 1.00 0.00 H new ATOM 0 HD2 LYS A 124 10.035 12.900 -6.313 1.00 0.00 H new ATOM 0 HD3 LYS A 124 11.324 12.816 -5.129 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.477 11.634 -7.931 1.00 0.00 H new ATOM 0 HE3 LYS A 124 12.112 13.202 -7.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 13.824 11.535 -7.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 13.594 12.114 -5.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 12.979 10.595 -6.356 1.00 0.00 H new ATOM 516 N ASN A 125 7.491 8.135 -7.847 1.00 0.00 N ATOM 517 CA ASN A 125 6.362 7.823 -8.787 1.00 0.00 C ATOM 518 C ASN A 125 5.098 7.240 -8.053 1.00 0.00 C ATOM 519 O ASN A 125 3.990 7.758 -8.273 1.00 0.00 O ATOM 520 CB ASN A 125 6.798 6.968 -10.006 1.00 0.00 C ATOM 521 CG ASN A 125 7.988 7.497 -10.851 1.00 0.00 C ATOM 522 OD1 ASN A 125 9.147 7.240 -10.529 1.00 0.00 O ATOM 523 ND2 ASN A 125 7.745 8.220 -11.941 1.00 0.00 N ATOM 0 H ASN A 125 8.375 7.691 -8.094 1.00 0.00 H new ATOM 0 HA ASN A 125 6.053 8.783 -9.200 1.00 0.00 H new ATOM 0 HB2 ASN A 125 7.055 5.972 -9.646 1.00 0.00 H new ATOM 0 HB3 ASN A 125 5.938 6.856 -10.666 1.00 0.00 H new ATOM 0 HD21 ASN A 125 8.520 8.561 -12.510 1.00 0.00 H new ATOM 0 HD22 ASN A 125 6.784 8.433 -12.208 1.00 0.00 H new ATOM 530 N LEU A 126 5.313 6.262 -7.123 1.00 0.00 N ATOM 531 CA LEU A 126 4.339 5.784 -6.106 1.00 0.00 C ATOM 532 C LEU A 126 3.579 6.965 -5.427 1.00 0.00 C ATOM 533 O LEU A 126 2.402 7.186 -5.735 1.00 0.00 O ATOM 534 CB LEU A 126 5.192 4.959 -5.074 1.00 0.00 C ATOM 535 CG LEU A 126 5.272 3.434 -5.295 1.00 0.00 C ATOM 536 CD1 LEU A 126 6.663 2.844 -5.025 1.00 0.00 C ATOM 537 CD2 LEU A 126 4.272 2.736 -4.372 1.00 0.00 C ATOM 0 H LEU A 126 6.204 5.770 -7.063 1.00 0.00 H new ATOM 0 HA LEU A 126 3.556 5.173 -6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 126 6.207 5.356 -5.079 1.00 0.00 H new ATOM 0 HB3 LEU A 126 4.785 5.137 -4.079 1.00 0.00 H new ATOM 0 HG LEU A 126 5.043 3.266 -6.347 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.642 1.768 -5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 126 7.390 3.307 -5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 126 6.945 3.037 -3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 126 4.326 1.658 -4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.512 2.967 -3.334 1.00 0.00 H new ATOM 0 HD23 LEU A 126 3.264 3.085 -4.597 1.00 0.00 H new ATOM 549 N LYS A 127 4.307 7.776 -4.629 1.00 0.00 N ATOM 550 CA LYS A 127 3.782 9.022 -4.037 1.00 0.00 C ATOM 551 C LYS A 127 3.192 10.121 -4.975 1.00 0.00 C ATOM 552 O LYS A 127 2.522 11.017 -4.468 1.00 0.00 O ATOM 553 CB LYS A 127 4.991 9.697 -3.374 1.00 0.00 C ATOM 554 CG LYS A 127 4.564 10.790 -2.353 1.00 0.00 C ATOM 555 CD LYS A 127 5.701 11.686 -1.808 1.00 0.00 C ATOM 556 CE LYS A 127 6.581 11.072 -0.700 1.00 0.00 C ATOM 557 NZ LYS A 127 7.599 12.029 -0.231 1.00 0.00 N ATOM 0 H LYS A 127 5.277 7.583 -4.378 1.00 0.00 H new ATOM 0 HA LYS A 127 2.948 8.695 -3.416 1.00 0.00 H new ATOM 0 HB2 LYS A 127 5.593 8.943 -2.867 1.00 0.00 H new ATOM 0 HB3 LYS A 127 5.622 10.145 -4.142 1.00 0.00 H new ATOM 0 HG2 LYS A 127 3.818 11.430 -2.825 1.00 0.00 H new ATOM 0 HG3 LYS A 127 4.077 10.301 -1.509 1.00 0.00 H new ATOM 0 HD2 LYS A 127 6.345 11.966 -2.641 1.00 0.00 H new ATOM 0 HD3 LYS A 127 5.259 12.605 -1.424 1.00 0.00 H new ATOM 0 HE2 LYS A 127 5.954 10.766 0.137 1.00 0.00 H new ATOM 0 HE3 LYS A 127 7.070 10.174 -1.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 8.175 11.586 0.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 8.212 12.302 -1.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 7.130 12.875 0.151 1.00 0.00 H new ATOM 571 N ARG A 128 3.532 10.152 -6.275 1.00 0.00 N ATOM 572 CA ARG A 128 3.254 11.315 -7.159 1.00 0.00 C ATOM 573 C ARG A 128 1.889 11.224 -7.800 1.00 0.00 C ATOM 574 O ARG A 128 1.018 12.059 -7.539 1.00 0.00 O ATOM 575 CB ARG A 128 4.311 11.456 -8.266 1.00 0.00 C ATOM 576 CG ARG A 128 5.501 12.313 -7.792 1.00 0.00 C ATOM 577 CD ARG A 128 6.514 12.736 -8.876 1.00 0.00 C ATOM 578 NE ARG A 128 7.474 11.659 -9.240 1.00 0.00 N ATOM 579 CZ ARG A 128 8.585 11.845 -9.977 1.00 0.00 C ATOM 580 NH1 ARG A 128 8.925 13.008 -10.532 1.00 0.00 N ATOM 581 NH2 ARG A 128 9.389 10.815 -10.162 1.00 0.00 N ATOM 0 H ARG A 128 4.004 9.381 -6.747 1.00 0.00 H new ATOM 0 HA ARG A 128 3.288 12.194 -6.515 1.00 0.00 H new ATOM 0 HB2 ARG A 128 4.665 10.469 -8.562 1.00 0.00 H new ATOM 0 HB3 ARG A 128 3.860 11.911 -9.148 1.00 0.00 H new ATOM 0 HG2 ARG A 128 5.108 13.214 -7.321 1.00 0.00 H new ATOM 0 HG3 ARG A 128 6.036 11.758 -7.021 1.00 0.00 H new ATOM 0 HD2 ARG A 128 5.971 13.046 -9.769 1.00 0.00 H new ATOM 0 HD3 ARG A 128 7.070 13.605 -8.524 1.00 0.00 H new ATOM 0 HE ARG A 128 7.277 10.715 -8.908 1.00 0.00 H new ATOM 0 HH11 ARG A 128 8.328 13.826 -10.409 1.00 0.00 H new ATOM 0 HH12 ARG A 128 9.782 13.080 -11.080 1.00 0.00 H new ATOM 0 HH21 ARG A 128 9.161 9.910 -9.751 1.00 0.00 H new ATOM 0 HH22 ARG A 128 10.239 10.924 -10.716 1.00 0.00 H new ATOM 595 N VAL A 129 1.716 10.181 -8.616 1.00 0.00 N ATOM 596 CA VAL A 129 0.377 9.809 -9.119 1.00 0.00 C ATOM 597 C VAL A 129 -0.599 9.334 -7.995 1.00 0.00 C ATOM 598 O VAL A 129 -1.770 9.724 -8.053 1.00 0.00 O ATOM 599 CB VAL A 129 0.520 8.822 -10.307 1.00 0.00 C ATOM 600 CG1 VAL A 129 0.909 9.543 -11.603 1.00 0.00 C ATOM 601 CG2 VAL A 129 1.475 7.619 -10.164 1.00 0.00 C ATOM 0 H VAL A 129 2.473 9.581 -8.944 1.00 0.00 H new ATOM 0 HA VAL A 129 -0.110 10.706 -9.502 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.485 8.401 -10.324 1.00 0.00 H new ATOM 0 HG11 VAL A 129 0.999 8.817 -12.411 1.00 0.00 H new ATOM 0 HG12 VAL A 129 0.142 10.274 -11.857 1.00 0.00 H new ATOM 0 HG13 VAL A 129 1.863 10.051 -11.464 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.458 7.030 -11.081 1.00 0.00 H new ATOM 0 HG22 VAL A 129 2.488 7.978 -9.982 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.155 6.998 -9.328 1.00 0.00 H new ATOM 611 N ALA A 130 -0.161 8.533 -6.987 1.00 0.00 N ATOM 612 CA ALA A 130 -1.025 8.275 -5.783 1.00 0.00 C ATOM 613 C ALA A 130 -1.227 9.531 -4.875 1.00 0.00 C ATOM 614 O ALA A 130 -2.271 9.686 -4.236 1.00 0.00 O ATOM 615 CB ALA A 130 -0.527 7.084 -4.944 1.00 0.00 C ATOM 0 H ALA A 130 0.746 8.067 -6.972 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.001 8.019 -6.196 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -1.186 6.941 -4.088 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -0.527 6.182 -5.556 1.00 0.00 H new ATOM 0 HB3 ALA A 130 0.485 7.284 -4.593 1.00 0.00 H new ATOM 621 N LYS A 131 -0.225 10.424 -4.878 1.00 0.00 N ATOM 622 CA LYS A 131 -0.319 11.785 -4.275 1.00 0.00 C ATOM 623 C LYS A 131 -1.316 12.790 -4.927 1.00 0.00 C ATOM 624 O LYS A 131 -1.800 13.664 -4.203 1.00 0.00 O ATOM 625 CB LYS A 131 1.089 12.390 -4.261 1.00 0.00 C ATOM 626 CG LYS A 131 1.159 13.636 -3.361 1.00 0.00 C ATOM 627 CD LYS A 131 2.579 14.234 -3.231 1.00 0.00 C ATOM 628 CE LYS A 131 2.699 15.461 -2.297 1.00 0.00 C ATOM 629 NZ LYS A 131 2.054 16.672 -2.841 1.00 0.00 N ATOM 0 H LYS A 131 0.684 10.231 -5.299 1.00 0.00 H new ATOM 0 HA LYS A 131 -0.737 11.630 -3.280 1.00 0.00 H new ATOM 0 HB2 LYS A 131 1.803 11.645 -3.909 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.382 12.657 -5.277 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.489 14.398 -3.759 1.00 0.00 H new ATOM 0 HG3 LYS A 131 0.792 13.376 -2.368 1.00 0.00 H new ATOM 0 HD2 LYS A 131 3.251 13.456 -2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 131 2.927 14.519 -4.224 1.00 0.00 H new ATOM 0 HE2 LYS A 131 2.251 15.221 -1.333 1.00 0.00 H new ATOM 0 HE3 LYS A 131 3.753 15.669 -2.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 2.169 17.458 -2.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 2.497 16.924 -3.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 1.041 16.489 -2.989 1.00 0.00 H new ATOM 643 N GLU A 132 -1.645 12.683 -6.239 1.00 0.00 N ATOM 644 CA GLU A 132 -2.771 13.448 -6.878 1.00 0.00 C ATOM 645 C GLU A 132 -4.130 13.318 -6.121 1.00 0.00 C ATOM 646 O GLU A 132 -4.800 14.326 -5.879 1.00 0.00 O ATOM 647 CB GLU A 132 -3.016 13.029 -8.354 1.00 0.00 C ATOM 648 CG GLU A 132 -1.846 13.211 -9.350 1.00 0.00 C ATOM 649 CD GLU A 132 -2.062 12.509 -10.700 1.00 0.00 C ATOM 650 OE1 GLU A 132 -2.255 11.273 -10.726 1.00 0.00 O ATOM 651 OE2 GLU A 132 -2.035 13.195 -11.746 1.00 0.00 O ATOM 0 H GLU A 132 -1.148 12.072 -6.888 1.00 0.00 H new ATOM 0 HA GLU A 132 -2.435 14.484 -6.830 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -3.305 11.978 -8.362 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -3.868 13.597 -8.728 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -1.694 14.276 -9.526 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -0.932 12.829 -8.895 1.00 0.00 H new ATOM 658 N LEU A 133 -4.490 12.079 -5.723 1.00 0.00 N ATOM 659 CA LEU A 133 -5.601 11.806 -4.762 1.00 0.00 C ATOM 660 C LEU A 133 -5.398 12.509 -3.374 1.00 0.00 C ATOM 661 O LEU A 133 -6.278 13.256 -2.936 1.00 0.00 O ATOM 662 CB LEU A 133 -5.784 10.256 -4.671 1.00 0.00 C ATOM 663 CG LEU A 133 -6.596 9.663 -3.484 1.00 0.00 C ATOM 664 CD1 LEU A 133 -8.069 10.105 -3.438 1.00 0.00 C ATOM 665 CD2 LEU A 133 -6.497 8.130 -3.475 1.00 0.00 C ATOM 0 H LEU A 133 -4.024 11.234 -6.054 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.527 12.248 -5.129 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -6.261 9.926 -5.594 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -4.791 9.808 -4.647 1.00 0.00 H new ATOM 0 HG LEU A 133 -6.137 10.071 -2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -8.560 9.646 -2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -8.121 11.190 -3.348 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -8.571 9.793 -4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -7.071 7.733 -2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -6.896 7.734 -4.409 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -5.453 7.833 -3.372 1.00 0.00 H new ATOM 773 N GLU A 141 5.345 5.344 6.216 1.00 0.00 N ATOM 774 CA GLU A 141 4.666 4.066 5.856 1.00 0.00 C ATOM 775 C GLU A 141 4.865 3.607 4.372 1.00 0.00 C ATOM 776 O GLU A 141 5.018 2.403 4.138 1.00 0.00 O ATOM 777 CB GLU A 141 3.182 4.194 6.269 1.00 0.00 C ATOM 778 CG GLU A 141 2.428 2.847 6.334 1.00 0.00 C ATOM 779 CD GLU A 141 0.990 2.977 6.853 1.00 0.00 C ATOM 780 OE1 GLU A 141 0.796 3.012 8.089 1.00 0.00 O ATOM 781 OE2 GLU A 141 0.048 3.040 6.032 1.00 0.00 O ATOM 0 HA GLU A 141 5.140 3.254 6.407 1.00 0.00 H new ATOM 0 HB2 GLU A 141 3.128 4.676 7.245 1.00 0.00 H new ATOM 0 HB3 GLU A 141 2.674 4.849 5.561 1.00 0.00 H new ATOM 0 HG2 GLU A 141 2.408 2.402 5.339 1.00 0.00 H new ATOM 0 HG3 GLU A 141 2.978 2.162 6.979 1.00 0.00 H new ATOM 788 N LEU A 142 4.909 4.538 3.392 1.00 0.00 N ATOM 789 CA LEU A 142 5.303 4.233 1.983 1.00 0.00 C ATOM 790 C LEU A 142 6.824 3.824 1.829 1.00 0.00 C ATOM 791 O LEU A 142 7.116 2.978 0.979 1.00 0.00 O ATOM 792 CB LEU A 142 4.717 5.370 1.073 1.00 0.00 C ATOM 793 CG LEU A 142 5.638 6.393 0.361 1.00 0.00 C ATOM 794 CD1 LEU A 142 6.270 5.784 -0.903 1.00 0.00 C ATOM 795 CD2 LEU A 142 4.872 7.665 -0.053 1.00 0.00 C ATOM 0 H LEU A 142 4.675 5.519 3.546 1.00 0.00 H new ATOM 0 HA LEU A 142 4.856 3.309 1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 142 4.126 4.882 0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 142 4.024 5.943 1.689 1.00 0.00 H new ATOM 0 HG LEU A 142 6.414 6.656 1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 142 6.911 6.524 -1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 142 6.864 4.912 -0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 142 5.483 5.484 -1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 142 5.554 8.356 -0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 142 4.066 7.398 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 142 4.453 8.142 0.833 1.00 0.00 H new ATOM 807 N GLN A 143 7.770 4.350 2.654 1.00 0.00 N ATOM 808 CA GLN A 143 9.172 3.826 2.758 1.00 0.00 C ATOM 809 C GLN A 143 9.228 2.361 3.305 1.00 0.00 C ATOM 810 O GLN A 143 9.947 1.529 2.742 1.00 0.00 O ATOM 811 CB GLN A 143 10.086 4.722 3.651 1.00 0.00 C ATOM 812 CG GLN A 143 10.638 6.022 3.029 1.00 0.00 C ATOM 813 CD GLN A 143 11.722 5.866 1.938 1.00 0.00 C ATOM 814 OE1 GLN A 143 11.965 4.796 1.378 1.00 0.00 O ATOM 815 NE2 GLN A 143 12.398 6.956 1.606 1.00 0.00 N ATOM 0 H GLN A 143 7.589 5.146 3.266 1.00 0.00 H new ATOM 0 HA GLN A 143 9.548 3.841 1.735 1.00 0.00 H new ATOM 0 HB2 GLN A 143 9.523 4.990 4.545 1.00 0.00 H new ATOM 0 HB3 GLN A 143 10.934 4.119 3.976 1.00 0.00 H new ATOM 0 HG2 GLN A 143 9.802 6.576 2.601 1.00 0.00 H new ATOM 0 HG3 GLN A 143 11.049 6.635 3.831 1.00 0.00 H new ATOM 0 HE21 GLN A 143 12.197 7.842 2.070 1.00 0.00 H new ATOM 0 HE22 GLN A 143 13.120 6.909 0.887 1.00 0.00 H new ATOM 824 N GLU A 144 8.462 2.048 4.377 1.00 0.00 N ATOM 825 CA GLU A 144 8.245 0.651 4.845 1.00 0.00 C ATOM 826 C GLU A 144 7.735 -0.332 3.760 1.00 0.00 C ATOM 827 O GLU A 144 8.296 -1.423 3.639 1.00 0.00 O ATOM 828 CB GLU A 144 7.280 0.605 6.061 1.00 0.00 C ATOM 829 CG GLU A 144 7.889 0.930 7.440 1.00 0.00 C ATOM 830 CD GLU A 144 8.880 -0.128 7.950 1.00 0.00 C ATOM 831 OE1 GLU A 144 8.436 -1.157 8.505 1.00 0.00 O ATOM 832 OE2 GLU A 144 10.106 0.066 7.792 1.00 0.00 O ATOM 0 H GLU A 144 7.979 2.748 4.940 1.00 0.00 H new ATOM 0 HA GLU A 144 9.241 0.311 5.131 1.00 0.00 H new ATOM 0 HB2 GLU A 144 6.465 1.304 5.875 1.00 0.00 H new ATOM 0 HB3 GLU A 144 6.840 -0.391 6.109 1.00 0.00 H new ATOM 0 HG2 GLU A 144 8.398 1.892 7.384 1.00 0.00 H new ATOM 0 HG3 GLU A 144 7.083 1.038 8.166 1.00 0.00 H new ATOM 839 N MET A 145 6.718 0.064 2.972 1.00 0.00 N ATOM 840 CA MET A 145 6.216 -0.762 1.839 1.00 0.00 C ATOM 841 C MET A 145 7.268 -1.030 0.725 1.00 0.00 C ATOM 842 O MET A 145 7.449 -2.188 0.339 1.00 0.00 O ATOM 843 CB MET A 145 4.906 -0.133 1.295 1.00 0.00 C ATOM 844 CG MET A 145 3.704 -0.236 2.252 1.00 0.00 C ATOM 845 SD MET A 145 3.414 -1.966 2.710 1.00 0.00 S ATOM 846 CE MET A 145 3.854 -1.991 4.461 1.00 0.00 C ATOM 0 H MET A 145 6.223 0.948 3.092 1.00 0.00 H new ATOM 0 HA MET A 145 6.002 -1.758 2.226 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.088 0.918 1.072 1.00 0.00 H new ATOM 0 HB3 MET A 145 4.648 -0.619 0.354 1.00 0.00 H new ATOM 0 HG2 MET A 145 3.890 0.358 3.147 1.00 0.00 H new ATOM 0 HG3 MET A 145 2.814 0.176 1.776 1.00 0.00 H new ATOM 0 HE1 MET A 145 3.718 -2.998 4.856 1.00 0.00 H new ATOM 0 HE2 MET A 145 4.896 -1.693 4.579 1.00 0.00 H new ATOM 0 HE3 MET A 145 3.214 -1.298 5.007 1.00 0.00 H new ATOM 856 N ILE A 146 7.996 -0.001 0.259 1.00 0.00 N ATOM 857 CA ILE A 146 9.030 -0.162 -0.806 1.00 0.00 C ATOM 858 C ILE A 146 10.251 -1.062 -0.416 1.00 0.00 C ATOM 859 O ILE A 146 10.695 -1.855 -1.253 1.00 0.00 O ATOM 860 CB ILE A 146 9.407 1.235 -1.425 1.00 0.00 C ATOM 861 CG1 ILE A 146 9.914 1.121 -2.908 1.00 0.00 C ATOM 862 CG2 ILE A 146 10.439 2.055 -0.619 1.00 0.00 C ATOM 863 CD1 ILE A 146 8.972 0.414 -3.889 1.00 0.00 C ATOM 0 H ILE A 146 7.896 0.956 0.596 1.00 0.00 H new ATOM 0 HA ILE A 146 8.573 -0.751 -1.602 1.00 0.00 H new ATOM 0 HB ILE A 146 8.461 1.776 -1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 146 10.108 2.126 -3.283 1.00 0.00 H new ATOM 0 HG13 ILE A 146 10.867 0.592 -2.905 1.00 0.00 H new ATOM 0 HG21 ILE A 146 10.631 2.999 -1.128 1.00 0.00 H new ATOM 0 HG22 ILE A 146 10.047 2.254 0.378 1.00 0.00 H new ATOM 0 HG23 ILE A 146 11.368 1.491 -0.538 1.00 0.00 H new ATOM 0 HD11 ILE A 146 9.426 0.395 -4.880 1.00 0.00 H new ATOM 0 HD12 ILE A 146 8.795 -0.607 -3.551 1.00 0.00 H new ATOM 0 HD13 ILE A 146 8.024 0.951 -3.934 1.00 0.00 H new ATOM 875 N ASP A 147 10.745 -0.977 0.837 1.00 0.00 N ATOM 876 CA ASP A 147 11.736 -1.958 1.378 1.00 0.00 C ATOM 877 C ASP A 147 11.212 -3.422 1.512 1.00 0.00 C ATOM 878 O ASP A 147 11.927 -4.360 1.156 1.00 0.00 O ATOM 879 CB ASP A 147 12.374 -1.446 2.695 1.00 0.00 C ATOM 880 CG ASP A 147 11.560 -1.268 3.992 1.00 0.00 C ATOM 881 OD1 ASP A 147 10.992 -2.254 4.511 1.00 0.00 O ATOM 882 OD2 ASP A 147 11.542 -0.140 4.527 1.00 0.00 O ATOM 0 H ASP A 147 10.481 -0.246 1.498 1.00 0.00 H new ATOM 0 HA ASP A 147 12.514 -2.022 0.617 1.00 0.00 H new ATOM 0 HB2 ASP A 147 13.192 -2.126 2.931 1.00 0.00 H new ATOM 0 HB3 ASP A 147 12.820 -0.477 2.470 1.00 0.00 H new ATOM 887 N GLU A 148 9.964 -3.591 1.975 1.00 0.00 N ATOM 888 CA GLU A 148 9.218 -4.865 1.985 1.00 0.00 C ATOM 889 C GLU A 148 9.122 -5.662 0.651 1.00 0.00 C ATOM 890 O GLU A 148 9.381 -6.868 0.648 1.00 0.00 O ATOM 891 CB GLU A 148 7.793 -4.490 2.474 1.00 0.00 C ATOM 892 CG GLU A 148 7.406 -5.005 3.875 1.00 0.00 C ATOM 893 CD GLU A 148 8.111 -4.298 5.044 1.00 0.00 C ATOM 894 OE1 GLU A 148 9.291 -4.609 5.321 1.00 0.00 O ATOM 895 OE2 GLU A 148 7.484 -3.430 5.693 1.00 0.00 O ATOM 0 H GLU A 148 9.425 -2.819 2.367 1.00 0.00 H new ATOM 0 HA GLU A 148 9.770 -5.555 2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 148 7.702 -3.404 2.469 1.00 0.00 H new ATOM 0 HB3 GLU A 148 7.070 -4.874 1.754 1.00 0.00 H new ATOM 0 HG2 GLU A 148 6.329 -4.897 4.001 1.00 0.00 H new ATOM 0 HG3 GLU A 148 7.627 -6.071 3.928 1.00 0.00 H new ATOM 902 N ALA A 149 8.711 -4.998 -0.448 1.00 0.00 N ATOM 903 CA ALA A 149 8.584 -5.652 -1.781 1.00 0.00 C ATOM 904 C ALA A 149 9.892 -6.231 -2.394 1.00 0.00 C ATOM 905 O ALA A 149 9.845 -7.339 -2.936 1.00 0.00 O ATOM 906 CB ALA A 149 7.918 -4.687 -2.778 1.00 0.00 C ATOM 0 H ALA A 149 8.460 -4.009 -0.446 1.00 0.00 H new ATOM 0 HA ALA A 149 7.962 -6.528 -1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 149 7.829 -5.172 -3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 149 6.926 -4.416 -2.415 1.00 0.00 H new ATOM 0 HB3 ALA A 149 8.526 -3.788 -2.876 1.00 0.00 H new ATOM 1001 N VAL A 157 10.568 -1.951 -8.158 1.00 0.00 N ATOM 1002 CA VAL A 157 9.364 -2.833 -8.168 1.00 0.00 C ATOM 1003 C VAL A 157 8.908 -3.212 -9.608 1.00 0.00 C ATOM 1004 O VAL A 157 9.251 -2.574 -10.606 1.00 0.00 O ATOM 1005 CB VAL A 157 8.295 -2.128 -7.255 1.00 0.00 C ATOM 1006 CG1 VAL A 157 6.806 -2.336 -7.583 1.00 0.00 C ATOM 1007 CG2 VAL A 157 8.502 -2.522 -5.778 1.00 0.00 C ATOM 0 HA VAL A 157 9.569 -3.819 -7.750 1.00 0.00 H new ATOM 0 HB VAL A 157 8.488 -1.075 -7.461 1.00 0.00 H new ATOM 0 HG11 VAL A 157 6.195 -1.788 -6.866 1.00 0.00 H new ATOM 0 HG12 VAL A 157 6.600 -1.970 -8.589 1.00 0.00 H new ATOM 0 HG13 VAL A 157 6.566 -3.398 -7.527 1.00 0.00 H new ATOM 0 HG21 VAL A 157 7.754 -2.025 -5.161 1.00 0.00 H new ATOM 0 HG22 VAL A 157 8.401 -3.602 -5.672 1.00 0.00 H new ATOM 0 HG23 VAL A 157 9.498 -2.218 -5.456 1.00 0.00 H new ATOM 1017 N SER A 158 8.141 -4.313 -9.673 1.00 0.00 N ATOM 1018 CA SER A 158 7.706 -4.978 -10.924 1.00 0.00 C ATOM 1019 C SER A 158 6.146 -4.892 -11.006 1.00 0.00 C ATOM 1020 O SER A 158 5.444 -4.567 -10.039 1.00 0.00 O ATOM 1021 CB SER A 158 8.236 -6.468 -10.897 1.00 0.00 C ATOM 1022 OG SER A 158 9.526 -6.610 -10.303 1.00 0.00 O ATOM 0 H SER A 158 7.794 -4.782 -8.836 1.00 0.00 H new ATOM 0 HA SER A 158 8.111 -4.496 -11.814 1.00 0.00 H new ATOM 0 HB2 SER A 158 7.525 -7.087 -10.350 1.00 0.00 H new ATOM 0 HB3 SER A 158 8.272 -6.849 -11.917 1.00 0.00 H new ATOM 0 HG SER A 158 9.791 -7.553 -10.318 1.00 0.00 H new ATOM 1028 N GLU A 159 5.612 -5.195 -12.202 1.00 0.00 N ATOM 1029 CA GLU A 159 4.133 -5.270 -12.499 1.00 0.00 C ATOM 1030 C GLU A 159 3.244 -5.992 -11.433 1.00 0.00 C ATOM 1031 O GLU A 159 2.202 -5.474 -11.016 1.00 0.00 O ATOM 1032 CB GLU A 159 3.848 -5.816 -13.926 1.00 0.00 C ATOM 1033 CG GLU A 159 4.499 -7.123 -14.443 1.00 0.00 C ATOM 1034 CD GLU A 159 3.959 -7.532 -15.820 1.00 0.00 C ATOM 1035 OE1 GLU A 159 2.928 -8.237 -15.880 1.00 0.00 O ATOM 1036 OE2 GLU A 159 4.562 -7.147 -16.847 1.00 0.00 O ATOM 0 H GLU A 159 6.189 -5.402 -13.017 1.00 0.00 H new ATOM 0 HA GLU A 159 3.822 -4.227 -12.444 1.00 0.00 H new ATOM 0 HB2 GLU A 159 2.769 -5.949 -14.004 1.00 0.00 H new ATOM 0 HB3 GLU A 159 4.123 -5.028 -14.627 1.00 0.00 H new ATOM 0 HG2 GLU A 159 5.579 -6.990 -14.503 1.00 0.00 H new ATOM 0 HG3 GLU A 159 4.315 -7.926 -13.729 1.00 0.00 H new ATOM 1043 N GLN A 160 3.757 -7.135 -10.962 1.00 0.00 N ATOM 1044 CA GLN A 160 3.253 -7.911 -9.801 1.00 0.00 C ATOM 1045 C GLN A 160 2.875 -7.143 -8.498 1.00 0.00 C ATOM 1046 O GLN A 160 2.047 -7.673 -7.761 1.00 0.00 O ATOM 1047 CB GLN A 160 4.326 -8.977 -9.437 1.00 0.00 C ATOM 1048 CG GLN A 160 4.553 -10.101 -10.478 1.00 0.00 C ATOM 1049 CD GLN A 160 5.621 -11.111 -10.034 1.00 0.00 C ATOM 1050 OE1 GLN A 160 6.809 -10.946 -10.308 1.00 0.00 O ATOM 1051 NE2 GLN A 160 5.231 -12.167 -9.335 1.00 0.00 N ATOM 0 H GLN A 160 4.572 -7.572 -11.393 1.00 0.00 H new ATOM 0 HA GLN A 160 2.301 -8.311 -10.149 1.00 0.00 H new ATOM 0 HB2 GLN A 160 5.275 -8.466 -9.272 1.00 0.00 H new ATOM 0 HB3 GLN A 160 4.044 -9.438 -8.491 1.00 0.00 H new ATOM 0 HG2 GLN A 160 3.613 -10.625 -10.652 1.00 0.00 H new ATOM 0 HG3 GLN A 160 4.851 -9.657 -11.428 1.00 0.00 H new ATOM 0 HE21 GLN A 160 4.244 -12.295 -9.113 1.00 0.00 H new ATOM 0 HE22 GLN A 160 5.918 -12.852 -9.019 1.00 0.00 H new ATOM 1060 N GLU A 161 3.409 -5.947 -8.188 1.00 0.00 N ATOM 1061 CA GLU A 161 3.058 -5.232 -6.932 1.00 0.00 C ATOM 1062 C GLU A 161 1.787 -4.355 -6.967 1.00 0.00 C ATOM 1063 O GLU A 161 0.899 -4.606 -6.150 1.00 0.00 O ATOM 1064 CB GLU A 161 4.268 -4.435 -6.444 1.00 0.00 C ATOM 1065 CG GLU A 161 5.418 -5.253 -5.822 1.00 0.00 C ATOM 1066 CD GLU A 161 6.188 -6.279 -6.667 1.00 0.00 C ATOM 1067 OE1 GLU A 161 5.777 -7.459 -6.702 1.00 0.00 O ATOM 1068 OE2 GLU A 161 7.220 -5.921 -7.272 1.00 0.00 O ATOM 0 H GLU A 161 4.079 -5.454 -8.779 1.00 0.00 H new ATOM 0 HA GLU A 161 2.794 -6.018 -6.224 1.00 0.00 H new ATOM 0 HB2 GLU A 161 4.667 -3.869 -7.286 1.00 0.00 H new ATOM 0 HB3 GLU A 161 3.925 -3.710 -5.706 1.00 0.00 H new ATOM 0 HG2 GLU A 161 6.148 -4.541 -5.436 1.00 0.00 H new ATOM 0 HG3 GLU A 161 5.007 -5.785 -4.964 1.00 0.00 H new ATOM 1075 N PHE A 162 1.632 -3.358 -7.866 1.00 0.00 N ATOM 1076 CA PHE A 162 0.286 -2.677 -8.018 1.00 0.00 C ATOM 1077 C PHE A 162 -0.782 -3.690 -8.522 1.00 0.00 C ATOM 1078 O PHE A 162 -1.815 -3.840 -7.862 1.00 0.00 O ATOM 1079 CB PHE A 162 0.334 -1.347 -8.835 1.00 0.00 C ATOM 1080 CG PHE A 162 -0.851 -0.326 -8.953 1.00 0.00 C ATOM 1081 CD1 PHE A 162 -2.156 -0.565 -8.475 1.00 0.00 C ATOM 1082 CD2 PHE A 162 -0.648 0.846 -9.717 1.00 0.00 C ATOM 1083 CE1 PHE A 162 -3.233 0.176 -8.942 1.00 0.00 C ATOM 1084 CE2 PHE A 162 -1.727 1.594 -10.155 1.00 0.00 C ATOM 1085 CZ PHE A 162 -3.015 1.226 -9.815 1.00 0.00 C ATOM 0 H PHE A 162 2.368 -3.006 -8.478 1.00 0.00 H new ATOM 0 HA PHE A 162 -0.022 -2.347 -7.026 1.00 0.00 H new ATOM 0 HB2 PHE A 162 1.179 -0.782 -8.441 1.00 0.00 H new ATOM 0 HB3 PHE A 162 0.589 -1.631 -9.856 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -2.320 -1.335 -7.736 1.00 0.00 H new ATOM 0 HD2 PHE A 162 0.356 1.160 -9.961 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -4.237 -0.066 -8.625 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -1.562 2.469 -10.765 1.00 0.00 H new ATOM 0 HZ PHE A 162 -3.855 1.761 -10.233 1.00 0.00 H new ATOM 1095 N LEU A 163 -0.508 -4.432 -9.616 1.00 0.00 N ATOM 1096 CA LEU A 163 -1.484 -5.411 -10.169 1.00 0.00 C ATOM 1097 C LEU A 163 -1.652 -6.717 -9.343 1.00 0.00 C ATOM 1098 O LEU A 163 -2.794 -7.142 -9.136 1.00 0.00 O ATOM 1099 CB LEU A 163 -1.094 -5.539 -11.673 1.00 0.00 C ATOM 1100 CG LEU A 163 -1.512 -6.723 -12.579 1.00 0.00 C ATOM 1101 CD1 LEU A 163 -1.174 -6.314 -14.027 1.00 0.00 C ATOM 1102 CD2 LEU A 163 -0.779 -8.051 -12.283 1.00 0.00 C ATOM 0 H LEU A 163 0.370 -4.377 -10.133 1.00 0.00 H new ATOM 0 HA LEU A 163 -2.516 -5.069 -10.089 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -1.464 -4.637 -12.161 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -0.005 -5.498 -11.710 1.00 0.00 H new ATOM 0 HG LEU A 163 -2.571 -6.911 -12.401 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -1.451 -7.120 -14.707 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -1.727 -5.412 -14.289 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -0.104 -6.121 -14.110 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -1.135 -8.823 -12.965 1.00 0.00 H new ATOM 0 HD22 LEU A 163 0.294 -7.913 -12.420 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -0.978 -8.355 -11.255 1.00 0.00 H new ATOM 1114 N ARG A 164 -0.560 -7.338 -8.869 1.00 0.00 N ATOM 1115 CA ARG A 164 -0.639 -8.578 -8.061 1.00 0.00 C ATOM 1116 C ARG A 164 -0.922 -8.399 -6.547 1.00 0.00 C ATOM 1117 O ARG A 164 -1.595 -9.277 -5.999 1.00 0.00 O ATOM 1118 CB ARG A 164 0.693 -9.294 -8.257 1.00 0.00 C ATOM 1119 CG ARG A 164 0.591 -10.768 -7.836 1.00 0.00 C ATOM 1120 CD ARG A 164 1.859 -11.555 -8.205 1.00 0.00 C ATOM 1121 NE ARG A 164 1.774 -13.000 -7.870 1.00 0.00 N ATOM 1122 CZ ARG A 164 2.201 -13.552 -6.715 1.00 0.00 C ATOM 1123 NH1 ARG A 164 2.742 -12.863 -5.712 1.00 0.00 N ATOM 1124 NH2 ARG A 164 2.071 -14.858 -6.567 1.00 0.00 N ATOM 0 H ARG A 164 0.391 -7.006 -9.028 1.00 0.00 H new ATOM 0 HA ARG A 164 -1.505 -9.139 -8.413 1.00 0.00 H new ATOM 0 HB2 ARG A 164 0.994 -9.230 -9.303 1.00 0.00 H new ATOM 0 HB3 ARG A 164 1.467 -8.797 -7.672 1.00 0.00 H new ATOM 0 HG2 ARG A 164 0.426 -10.828 -6.760 1.00 0.00 H new ATOM 0 HG3 ARG A 164 -0.274 -11.225 -8.318 1.00 0.00 H new ATOM 0 HD2 ARG A 164 2.047 -11.448 -9.273 1.00 0.00 H new ATOM 0 HD3 ARG A 164 2.713 -11.119 -7.686 1.00 0.00 H new ATOM 0 HE ARG A 164 1.362 -13.622 -8.566 1.00 0.00 H new ATOM 0 HH11 ARG A 164 2.855 -11.852 -5.790 1.00 0.00 H new ATOM 0 HH12 ARG A 164 3.043 -13.346 -4.866 1.00 0.00 H new ATOM 0 HH21 ARG A 164 1.658 -15.417 -7.313 1.00 0.00 H new ATOM 0 HH22 ARG A 164 2.384 -15.307 -5.706 1.00 0.00 H new ATOM 1138 N ILE A 165 -0.458 -7.314 -5.862 1.00 0.00 N ATOM 1139 CA ILE A 165 -0.922 -7.024 -4.465 1.00 0.00 C ATOM 1140 C ILE A 165 -2.436 -6.554 -4.502 1.00 0.00 C ATOM 1141 O ILE A 165 -3.173 -6.997 -3.615 1.00 0.00 O ATOM 1142 CB ILE A 165 -0.006 -6.080 -3.568 1.00 0.00 C ATOM 1143 CG1 ILE A 165 1.569 -6.228 -3.532 1.00 0.00 C ATOM 1144 CG2 ILE A 165 -0.490 -6.175 -2.092 1.00 0.00 C ATOM 1145 CD1 ILE A 165 2.240 -7.570 -3.837 1.00 0.00 C ATOM 0 H ILE A 165 0.214 -6.644 -6.235 1.00 0.00 H new ATOM 0 HA ILE A 165 -0.827 -7.971 -3.933 1.00 0.00 H new ATOM 0 HB ILE A 165 -0.144 -5.131 -4.086 1.00 0.00 H new ATOM 0 HG12 ILE A 165 1.975 -5.501 -4.235 1.00 0.00 H new ATOM 0 HG13 ILE A 165 1.896 -5.926 -2.537 1.00 0.00 H new ATOM 0 HG21 ILE A 165 0.128 -5.533 -1.464 1.00 0.00 H new ATOM 0 HG22 ILE A 165 -1.529 -5.852 -2.028 1.00 0.00 H new ATOM 0 HG23 ILE A 165 -0.409 -7.206 -1.748 1.00 0.00 H new ATOM 0 HD11 ILE A 165 3.322 -7.462 -3.760 1.00 0.00 H new ATOM 0 HD12 ILE A 165 1.898 -8.318 -3.122 1.00 0.00 H new ATOM 0 HD13 ILE A 165 1.978 -7.887 -4.847 1.00 0.00 H new ATOM 1157 N MET A 166 -2.944 -5.757 -5.494 1.00 0.00 N ATOM 1158 CA MET A 166 -4.417 -5.520 -5.654 1.00 0.00 C ATOM 1159 C MET A 166 -5.269 -6.817 -5.867 1.00 0.00 C ATOM 1160 O MET A 166 -6.289 -6.972 -5.188 1.00 0.00 O ATOM 1161 CB MET A 166 -4.679 -4.484 -6.783 1.00 0.00 C ATOM 1162 CG MET A 166 -6.088 -3.864 -6.803 1.00 0.00 C ATOM 1163 SD MET A 166 -7.280 -4.996 -7.551 1.00 0.00 S ATOM 1164 CE MET A 166 -8.817 -4.088 -7.291 1.00 0.00 C ATOM 0 H MET A 166 -2.367 -5.276 -6.184 1.00 0.00 H new ATOM 0 HA MET A 166 -4.757 -5.117 -4.700 1.00 0.00 H new ATOM 0 HB2 MET A 166 -3.949 -3.680 -6.690 1.00 0.00 H new ATOM 0 HB3 MET A 166 -4.501 -4.967 -7.744 1.00 0.00 H new ATOM 0 HG2 MET A 166 -6.398 -3.623 -5.786 1.00 0.00 H new ATOM 0 HG3 MET A 166 -6.070 -2.928 -7.361 1.00 0.00 H new ATOM 0 HE1 MET A 166 -9.651 -4.659 -7.700 1.00 0.00 H new ATOM 0 HE2 MET A 166 -8.972 -3.934 -6.223 1.00 0.00 H new ATOM 0 HE3 MET A 166 -8.758 -3.122 -7.793 1.00 0.00 H new ATOM 1174 N LYS A 167 -4.858 -7.730 -6.777 1.00 0.00 N ATOM 1175 CA LYS A 167 -5.579 -9.001 -7.043 1.00 0.00 C ATOM 1176 C LYS A 167 -5.717 -9.968 -5.840 1.00 0.00 C ATOM 1177 O LYS A 167 -6.844 -10.290 -5.452 1.00 0.00 O ATOM 1178 CB LYS A 167 -4.842 -9.691 -8.191 1.00 0.00 C ATOM 1179 CG LYS A 167 -5.680 -10.829 -8.796 1.00 0.00 C ATOM 1180 CD LYS A 167 -5.015 -11.480 -10.025 1.00 0.00 C ATOM 1181 CE LYS A 167 -5.876 -12.589 -10.659 1.00 0.00 C ATOM 1182 NZ LYS A 167 -5.210 -13.188 -11.829 1.00 0.00 N ATOM 0 H LYS A 167 -4.021 -7.609 -7.347 1.00 0.00 H new ATOM 0 HA LYS A 167 -6.610 -8.743 -7.283 1.00 0.00 H new ATOM 0 HB2 LYS A 167 -4.607 -8.960 -8.965 1.00 0.00 H new ATOM 0 HB3 LYS A 167 -3.894 -10.089 -7.829 1.00 0.00 H new ATOM 0 HG2 LYS A 167 -5.850 -11.591 -8.036 1.00 0.00 H new ATOM 0 HG3 LYS A 167 -6.657 -10.440 -9.082 1.00 0.00 H new ATOM 0 HD2 LYS A 167 -4.814 -10.712 -10.772 1.00 0.00 H new ATOM 0 HD3 LYS A 167 -4.052 -11.898 -9.731 1.00 0.00 H new ATOM 0 HE2 LYS A 167 -6.078 -13.363 -9.918 1.00 0.00 H new ATOM 0 HE3 LYS A 167 -6.839 -12.176 -10.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 167 -5.817 -13.931 -12.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 167 -5.040 -12.454 -12.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 167 -4.302 -13.603 -11.537 1.00 0.00 H new ATOM 1301 N TRP B 2 0.569 -1.958 1.311 1.00 0.00 N ATOM 1302 CA TRP B 2 0.493 -2.034 -0.180 1.00 0.00 C ATOM 1303 C TRP B 2 -0.938 -2.240 -0.762 1.00 0.00 C ATOM 1304 O TRP B 2 -1.161 -1.784 -1.880 1.00 0.00 O ATOM 1305 CB TRP B 2 1.388 -3.162 -0.748 1.00 0.00 C ATOM 1306 CG TRP B 2 2.803 -2.762 -1.139 1.00 0.00 C ATOM 1307 CD1 TRP B 2 3.948 -3.282 -0.522 1.00 0.00 C ATOM 1308 CD2 TRP B 2 3.258 -2.096 -2.276 1.00 0.00 C ATOM 1309 NE1 TRP B 2 5.109 -2.942 -1.222 1.00 0.00 N ATOM 1310 CE2 TRP B 2 4.673 -2.169 -2.283 1.00 0.00 C ATOM 1311 CE3 TRP B 2 2.573 -1.541 -3.389 1.00 0.00 C ATOM 1312 CZ2 TRP B 2 5.414 -1.609 -3.363 1.00 0.00 C ATOM 1313 CZ3 TRP B 2 3.322 -1.061 -4.462 1.00 0.00 C ATOM 1314 CH2 TRP B 2 4.719 -1.060 -4.442 1.00 0.00 C ATOM 0 HA TRP B 2 0.844 -1.050 -0.492 1.00 0.00 H new ATOM 0 HB2 TRP B 2 1.449 -3.958 -0.006 1.00 0.00 H new ATOM 0 HB3 TRP B 2 0.895 -3.582 -1.625 1.00 0.00 H new ATOM 0 HD1 TRP B 2 3.935 -3.872 0.382 1.00 0.00 H new ATOM 0 HE1 TRP B 2 6.069 -3.206 -0.999 1.00 0.00 H new ATOM 0 HE3 TRP B 2 1.494 -1.492 -3.404 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 6.494 -1.609 -3.347 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 2.809 -0.680 -5.332 1.00 0.00 H new ATOM 0 HH2 TRP B 2 5.266 -0.631 -5.268 1.00 0.00 H new ATOM 1325 N LYS B 3 -1.869 -2.936 -0.078 1.00 0.00 N ATOM 1326 CA LYS B 3 -3.297 -3.018 -0.491 1.00 0.00 C ATOM 1327 C LYS B 3 -4.074 -1.664 -0.409 1.00 0.00 C ATOM 1328 O LYS B 3 -4.798 -1.334 -1.351 1.00 0.00 O ATOM 1329 CB LYS B 3 -3.907 -4.103 0.412 1.00 0.00 C ATOM 1330 CG LYS B 3 -5.402 -4.383 0.167 1.00 0.00 C ATOM 1331 CD LYS B 3 -5.974 -5.611 0.911 1.00 0.00 C ATOM 1332 CE LYS B 3 -5.969 -5.524 2.453 1.00 0.00 C ATOM 1333 NZ LYS B 3 -6.611 -6.699 3.067 1.00 0.00 N ATOM 0 H LYS B 3 -1.660 -3.457 0.773 1.00 0.00 H new ATOM 0 HA LYS B 3 -3.373 -3.267 -1.550 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -3.350 -5.029 0.270 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -3.773 -3.807 1.453 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -5.973 -3.502 0.461 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -5.558 -4.522 -0.903 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -7.000 -5.769 0.578 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -5.403 -6.491 0.614 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -4.942 -5.442 2.810 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -6.489 -4.619 2.768 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -6.589 -6.605 4.103 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -7.598 -6.762 2.746 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -6.100 -7.560 2.786 1.00 0.00 H new ATOM 1347 N LEU B 4 -3.907 -0.879 0.681 1.00 0.00 N ATOM 1348 CA LEU B 4 -4.420 0.526 0.772 1.00 0.00 C ATOM 1349 C LEU B 4 -3.773 1.498 -0.277 1.00 0.00 C ATOM 1350 O LEU B 4 -4.501 2.233 -0.945 1.00 0.00 O ATOM 1351 CB LEU B 4 -4.275 1.034 2.243 1.00 0.00 C ATOM 1352 CG LEU B 4 -5.334 2.045 2.772 1.00 0.00 C ATOM 1353 CD1 LEU B 4 -5.178 2.236 4.295 1.00 0.00 C ATOM 1354 CD2 LEU B 4 -5.317 3.427 2.088 1.00 0.00 C ATOM 0 H LEU B 4 -3.418 -1.190 1.521 1.00 0.00 H new ATOM 0 HA LEU B 4 -5.477 0.518 0.507 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -4.286 0.164 2.900 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -3.293 1.496 2.342 1.00 0.00 H new ATOM 0 HG LEU B 4 -6.296 1.595 2.525 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -5.925 2.945 4.651 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -5.318 1.279 4.798 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -4.181 2.619 4.513 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -6.090 4.059 2.525 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -4.342 3.893 2.233 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -5.507 3.307 1.021 1.00 0.00 H new ATOM 1366 N LEU B 5 -2.435 1.460 -0.452 1.00 0.00 N ATOM 1367 CA LEU B 5 -1.704 2.156 -1.553 1.00 0.00 C ATOM 1368 C LEU B 5 -2.021 1.656 -3.004 1.00 0.00 C ATOM 1369 O LEU B 5 -1.915 2.446 -3.945 1.00 0.00 O ATOM 1370 CB LEU B 5 -0.189 2.052 -1.201 1.00 0.00 C ATOM 1371 CG LEU B 5 0.848 2.884 -2.010 1.00 0.00 C ATOM 1372 CD1 LEU B 5 0.511 4.383 -2.144 1.00 0.00 C ATOM 1373 CD2 LEU B 5 2.241 2.725 -1.364 1.00 0.00 C ATOM 0 H LEU B 5 -1.817 0.941 0.171 1.00 0.00 H new ATOM 0 HA LEU B 5 -2.044 3.191 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -0.079 2.325 -0.152 1.00 0.00 H new ATOM 0 HB3 LEU B 5 0.095 1.003 -1.289 1.00 0.00 H new ATOM 0 HG LEU B 5 0.827 2.486 -3.024 1.00 0.00 H new ATOM 0 HD11 LEU B 5 1.289 4.881 -2.723 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -0.447 4.497 -2.651 1.00 0.00 H new ATOM 0 HD13 LEU B 5 0.452 4.833 -1.153 1.00 0.00 H new ATOM 0 HD21 LEU B 5 2.972 3.306 -1.927 1.00 0.00 H new ATOM 0 HD22 LEU B 5 2.208 3.083 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU B 5 2.529 1.674 -1.373 1.00 0.00 H new ATOM 1385 N ALA B 6 -2.421 0.378 -3.180 1.00 0.00 N ATOM 1386 CA ALA B 6 -2.959 -0.165 -4.447 1.00 0.00 C ATOM 1387 C ALA B 6 -4.361 0.386 -4.809 1.00 0.00 C ATOM 1388 O ALA B 6 -4.541 0.672 -5.986 1.00 0.00 O ATOM 1389 CB ALA B 6 -2.956 -1.699 -4.417 1.00 0.00 C ATOM 0 H ALA B 6 -2.379 -0.317 -2.434 1.00 0.00 H new ATOM 0 HA ALA B 6 -2.293 0.177 -5.239 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -3.355 -2.082 -5.356 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -1.936 -2.058 -4.283 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -3.575 -2.048 -3.591 1.00 0.00 H new ATOM 1395 N LYS B 7 -5.323 0.533 -3.865 1.00 0.00 N ATOM 1396 CA LYS B 7 -6.585 1.309 -4.088 1.00 0.00 C ATOM 1397 C LYS B 7 -6.347 2.830 -4.379 1.00 0.00 C ATOM 1398 O LYS B 7 -6.868 3.417 -5.348 1.00 0.00 O ATOM 1399 CB LYS B 7 -7.426 1.146 -2.822 1.00 0.00 C ATOM 1400 CG LYS B 7 -8.872 1.607 -3.053 1.00 0.00 C ATOM 1401 CD LYS B 7 -9.787 1.352 -1.839 1.00 0.00 C ATOM 1402 CE LYS B 7 -11.248 1.771 -2.091 1.00 0.00 C ATOM 1403 NZ LYS B 7 -12.096 1.508 -0.914 1.00 0.00 N ATOM 0 H LYS B 7 -5.255 0.124 -2.933 1.00 0.00 H new ATOM 0 HA LYS B 7 -7.083 0.920 -4.976 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -7.420 0.102 -2.510 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -6.983 1.723 -2.011 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -8.875 2.672 -3.286 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -9.278 1.089 -3.922 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -9.757 0.293 -1.584 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -9.401 1.898 -0.978 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -11.286 2.832 -2.338 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -11.640 1.229 -2.952 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -13.073 1.801 -1.117 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -12.079 0.492 -0.694 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -11.736 2.045 -0.100 1.00 0.00 H new ATOM 1417 N GLY B 8 -5.487 3.419 -3.517 1.00 0.00 N ATOM 1418 CA GLY B 8 -4.886 4.754 -3.702 1.00 0.00 C ATOM 1419 C GLY B 8 -4.412 5.094 -5.124 1.00 0.00 C ATOM 1420 O GLY B 8 -4.790 6.167 -5.601 1.00 0.00 O ATOM 0 H GLY B 8 -5.186 2.966 -2.654 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.616 5.504 -3.396 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.035 4.843 -3.027 1.00 0.00 H new ATOM 1424 N LEU B 9 -3.633 4.201 -5.791 1.00 0.00 N ATOM 1425 CA LEU B 9 -3.387 4.352 -7.257 1.00 0.00 C ATOM 1426 C LEU B 9 -4.415 3.584 -8.187 1.00 0.00 C ATOM 1427 O LEU B 9 -4.440 3.837 -9.393 1.00 0.00 O ATOM 1428 CB LEU B 9 -1.910 4.180 -7.669 1.00 0.00 C ATOM 1429 CG LEU B 9 -1.586 4.907 -9.023 1.00 0.00 C ATOM 1430 CD1 LEU B 9 -1.729 6.438 -9.095 1.00 0.00 C ATOM 1431 CD2 LEU B 9 -0.109 4.767 -9.385 1.00 0.00 C ATOM 0 H LEU B 9 -3.178 3.396 -5.360 1.00 0.00 H new ATOM 0 HA LEU B 9 -3.604 5.403 -7.449 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.266 4.575 -6.883 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.682 3.118 -7.764 1.00 0.00 H new ATOM 0 HG LEU B 9 -2.324 4.421 -9.662 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -1.468 6.781 -10.096 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -2.758 6.718 -8.872 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -1.061 6.900 -8.368 1.00 0.00 H new ATOM 0 HD21 LEU B 9 0.085 5.280 -10.327 1.00 0.00 H new ATOM 0 HD22 LEU B 9 0.502 5.209 -8.598 1.00 0.00 H new ATOM 0 HD23 LEU B 9 0.142 3.711 -9.489 1.00 0.00 H new ATOM 1443 N LEU B 10 -5.332 2.734 -7.686 1.00 0.00 N ATOM 1444 CA LEU B 10 -6.548 2.223 -8.442 1.00 0.00 C ATOM 1445 C LEU B 10 -7.453 3.403 -8.976 1.00 0.00 C ATOM 1446 O LEU B 10 -8.227 3.210 -9.912 1.00 0.00 O ATOM 1447 CB LEU B 10 -7.361 1.148 -7.660 1.00 0.00 C ATOM 1448 CG LEU B 10 -8.136 0.028 -8.418 1.00 0.00 C ATOM 1449 CD1 LEU B 10 -9.424 0.476 -9.132 1.00 0.00 C ATOM 1450 CD2 LEU B 10 -7.251 -0.812 -9.362 1.00 0.00 C ATOM 0 H LEU B 10 -5.271 2.364 -6.737 1.00 0.00 H new ATOM 0 HA LEU B 10 -6.158 1.703 -9.317 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -6.667 0.654 -6.980 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -8.087 1.680 -7.045 1.00 0.00 H new ATOM 0 HG LEU B 10 -8.460 -0.617 -7.601 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -9.883 -0.380 -9.626 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -10.120 0.889 -8.402 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -9.183 1.237 -9.874 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -7.861 -1.570 -9.853 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -6.803 -0.163 -10.114 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -6.463 -1.297 -8.786 1.00 0.00 H new ATOM 1462 N ILE B 11 -7.269 4.628 -8.421 1.00 0.00 N ATOM 1463 CA ILE B 11 -7.663 5.951 -9.036 1.00 0.00 C ATOM 1464 C ILE B 11 -7.433 6.139 -10.609 1.00 0.00 C ATOM 1465 O ILE B 11 -7.816 7.174 -11.159 1.00 0.00 O ATOM 1466 CB ILE B 11 -6.738 7.013 -8.287 1.00 0.00 C ATOM 1467 CG1 ILE B 11 -7.187 8.499 -8.373 1.00 0.00 C ATOM 1468 CG2 ILE B 11 -5.223 6.928 -8.701 1.00 0.00 C ATOM 1469 CD1 ILE B 11 -8.551 8.808 -7.737 1.00 0.00 C ATOM 0 H ILE B 11 -6.831 4.741 -7.507 1.00 0.00 H new ATOM 0 HA ILE B 11 -8.742 6.052 -8.920 1.00 0.00 H new ATOM 0 HB ILE B 11 -6.862 6.702 -7.250 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -6.431 9.119 -7.891 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -7.219 8.792 -9.422 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.653 7.679 -8.153 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -4.837 5.936 -8.466 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -5.128 7.110 -9.771 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -8.773 9.869 -7.849 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -9.325 8.221 -8.232 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -8.525 8.553 -6.678 1.00 0.00 H new ATOM 1481 N ARG B 12 -6.696 5.198 -11.248 1.00 0.00 N ATOM 1482 CA ARG B 12 -6.154 5.226 -12.641 1.00 0.00 C ATOM 1483 C ARG B 12 -6.899 6.022 -13.755 1.00 0.00 C ATOM 1484 O ARG B 12 -6.283 6.798 -14.489 1.00 0.00 O ATOM 1485 CB ARG B 12 -6.046 3.730 -13.050 1.00 0.00 C ATOM 1486 CG ARG B 12 -7.383 2.941 -13.105 1.00 0.00 C ATOM 1487 CD ARG B 12 -7.250 1.405 -13.178 1.00 0.00 C ATOM 1488 NE ARG B 12 -8.584 0.737 -13.198 1.00 0.00 N ATOM 1489 CZ ARG B 12 -8.784 -0.584 -13.041 1.00 0.00 C ATOM 1490 NH1 ARG B 12 -7.806 -1.473 -12.897 1.00 0.00 N ATOM 1491 NH2 ARG B 12 -10.028 -1.026 -13.036 1.00 0.00 N ATOM 0 H ARG B 12 -6.442 4.332 -10.773 1.00 0.00 H new ATOM 0 HA ARG B 12 -5.225 5.793 -12.586 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -5.574 3.675 -14.031 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -5.380 3.229 -12.348 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -7.970 3.195 -12.223 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -7.949 3.280 -13.973 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -6.692 1.130 -14.073 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -6.677 1.048 -12.322 1.00 0.00 H new ATOM 0 HE ARG B 12 -9.405 1.325 -13.341 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -6.833 -1.166 -12.902 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -8.028 -2.462 -12.782 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -10.802 -0.372 -13.149 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -10.215 -2.022 -12.919 1.00 0.00 H new