USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=3 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+ 180:sc= 0 (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= 0.0566 K(o=0.057,f=-2.2!) 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 X(o=0,f=-0.0024) USER MOD Single : A 145 MET CE :methyl -166:sc= 0 (180deg=-0.115) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 160 GLN : amide:sc= 0 X(o=0,f=-0.46) 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 -5.526 -2.032 -15.386 1.00 0.00 N ATOM 200 CA ILE A 106 -4.511 -2.322 -14.312 1.00 0.00 C ATOM 201 C ILE A 106 -3.017 -2.244 -14.795 1.00 0.00 C ATOM 202 O ILE A 106 -2.209 -1.594 -14.122 1.00 0.00 O ATOM 203 CB ILE A 106 -4.788 -3.649 -13.510 1.00 0.00 C ATOM 204 CG1 ILE A 106 -5.006 -4.920 -14.385 1.00 0.00 C ATOM 205 CG2 ILE A 106 -5.927 -3.459 -12.474 1.00 0.00 C ATOM 206 CD1 ILE A 106 -4.987 -6.267 -13.646 1.00 0.00 C ATOM 0 HA ILE A 106 -4.649 -1.499 -13.611 1.00 0.00 H new ATOM 0 HB ILE A 106 -3.860 -3.848 -12.974 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -5.964 -4.824 -14.896 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.235 -4.941 -15.155 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -6.092 -4.394 -11.939 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -5.648 -2.679 -11.765 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.843 -3.170 -12.989 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.149 -7.075 -14.359 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -4.021 -6.401 -13.159 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -5.777 -6.281 -12.895 1.00 0.00 H new ATOM 218 N LEU A 107 -2.659 -2.851 -15.947 1.00 0.00 N ATOM 219 CA LEU A 107 -1.310 -2.708 -16.581 1.00 0.00 C ATOM 220 C LEU A 107 -0.974 -1.251 -17.037 1.00 0.00 C ATOM 221 O LEU A 107 0.139 -0.785 -16.782 1.00 0.00 O ATOM 222 CB LEU A 107 -1.187 -3.769 -17.719 1.00 0.00 C ATOM 223 CG LEU A 107 0.209 -4.149 -18.295 1.00 0.00 C ATOM 224 CD1 LEU A 107 0.845 -3.067 -19.190 1.00 0.00 C ATOM 225 CD2 LEU A 107 1.213 -4.658 -17.239 1.00 0.00 C ATOM 0 H LEU A 107 -3.290 -3.456 -16.472 1.00 0.00 H new ATOM 0 HA LEU A 107 -0.546 -2.905 -15.829 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.646 -4.688 -17.354 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.795 -3.419 -18.553 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.020 -4.994 -18.944 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.814 -3.414 -19.548 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.193 -2.870 -20.041 1.00 0.00 H new ATOM 0 HD13 LEU A 107 0.978 -2.151 -18.615 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.159 -4.900 -17.723 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.377 -3.883 -16.490 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.813 -5.550 -16.757 1.00 0.00 H new ATOM 237 N LYS A 108 -1.932 -0.531 -17.655 1.00 0.00 N ATOM 238 CA LYS A 108 -1.818 0.922 -17.935 1.00 0.00 C ATOM 239 C LYS A 108 -1.649 1.884 -16.725 1.00 0.00 C ATOM 240 O LYS A 108 -0.963 2.897 -16.866 1.00 0.00 O ATOM 241 CB LYS A 108 -3.097 1.269 -18.695 1.00 0.00 C ATOM 242 CG LYS A 108 -2.940 2.524 -19.566 1.00 0.00 C ATOM 243 CD LYS A 108 -4.181 2.785 -20.444 1.00 0.00 C ATOM 244 CE LYS A 108 -3.963 3.902 -21.478 1.00 0.00 C ATOM 245 NZ LYS A 108 -5.166 4.119 -22.300 1.00 0.00 N ATOM 0 H LYS A 108 -2.810 -0.938 -17.976 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.886 1.076 -18.478 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.382 0.426 -19.325 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -3.908 1.423 -17.984 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.762 3.388 -18.926 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -2.063 2.414 -20.204 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -4.452 1.865 -20.963 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -5.023 3.050 -19.804 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -3.699 4.827 -20.966 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -3.123 3.644 -22.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -4.985 4.879 -22.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -5.402 3.243 -22.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -5.961 4.389 -21.687 1.00 0.00 H new ATOM 259 N ALA A 109 -2.247 1.568 -15.559 1.00 0.00 N ATOM 260 CA ALA A 109 -1.985 2.275 -14.274 1.00 0.00 C ATOM 261 C ALA A 109 -0.578 1.986 -13.641 1.00 0.00 C ATOM 262 O ALA A 109 0.045 2.886 -13.065 1.00 0.00 O ATOM 263 CB ALA A 109 -3.169 1.977 -13.354 1.00 0.00 C ATOM 0 H ALA A 109 -2.929 0.814 -15.474 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.917 3.348 -14.453 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.021 2.476 -12.397 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -4.088 2.340 -13.814 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.244 0.901 -13.194 1.00 0.00 H new ATOM 269 N PHE A 110 -0.035 0.751 -13.738 1.00 0.00 N ATOM 270 CA PHE A 110 1.414 0.481 -13.464 1.00 0.00 C ATOM 271 C PHE A 110 2.326 1.351 -14.437 1.00 0.00 C ATOM 272 O PHE A 110 3.369 1.841 -13.999 1.00 0.00 O ATOM 273 CB PHE A 110 1.591 -1.060 -13.498 1.00 0.00 C ATOM 274 CG PHE A 110 3.031 -1.578 -13.347 1.00 0.00 C ATOM 275 CD1 PHE A 110 3.570 -1.812 -12.080 1.00 0.00 C ATOM 276 CD2 PHE A 110 3.859 -1.670 -14.468 1.00 0.00 C ATOM 277 CE1 PHE A 110 4.950 -1.952 -11.923 1.00 0.00 C ATOM 278 CE2 PHE A 110 5.228 -1.862 -14.314 1.00 0.00 C ATOM 279 CZ PHE A 110 5.777 -1.969 -13.041 1.00 0.00 C ATOM 0 H PHE A 110 -0.568 -0.078 -14.002 1.00 0.00 H new ATOM 0 HA PHE A 110 1.752 0.803 -12.479 1.00 0.00 H new ATOM 0 HB2 PHE A 110 0.985 -1.493 -12.702 1.00 0.00 H new ATOM 0 HB3 PHE A 110 1.190 -1.431 -14.441 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.919 -1.885 -11.221 1.00 0.00 H new ATOM 0 HD2 PHE A 110 3.435 -1.592 -15.458 1.00 0.00 H new ATOM 0 HE1 PHE A 110 5.375 -2.047 -10.935 1.00 0.00 H new ATOM 0 HE2 PHE A 110 5.865 -1.928 -15.184 1.00 0.00 H new ATOM 0 HZ PHE A 110 6.846 -2.065 -12.920 1.00 0.00 H new ATOM 289 N LYS A 111 1.913 1.575 -15.714 1.00 0.00 N ATOM 290 CA LYS A 111 2.490 2.619 -16.608 1.00 0.00 C ATOM 291 C LYS A 111 2.272 4.084 -16.099 1.00 0.00 C ATOM 292 O LYS A 111 3.138 4.922 -16.355 1.00 0.00 O ATOM 293 CB LYS A 111 1.852 2.507 -17.994 1.00 0.00 C ATOM 294 CG LYS A 111 2.373 1.287 -18.770 1.00 0.00 C ATOM 295 CD LYS A 111 1.744 1.156 -20.172 1.00 0.00 C ATOM 296 CE LYS A 111 2.364 0.021 -21.009 1.00 0.00 C ATOM 297 NZ LYS A 111 1.698 -0.113 -22.317 1.00 0.00 N ATOM 0 H LYS A 111 1.168 1.035 -16.154 1.00 0.00 H new ATOM 0 HA LYS A 111 3.564 2.435 -16.629 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.769 2.435 -17.890 1.00 0.00 H new ATOM 0 HB3 LYS A 111 2.058 3.414 -18.563 1.00 0.00 H new ATOM 0 HG2 LYS A 111 3.456 1.360 -18.868 1.00 0.00 H new ATOM 0 HG3 LYS A 111 2.165 0.383 -18.198 1.00 0.00 H new ATOM 0 HD2 LYS A 111 0.673 0.980 -20.068 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.862 2.099 -20.706 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.426 0.217 -21.159 1.00 0.00 H new ATOM 0 HE3 LYS A 111 2.287 -0.919 -20.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 2.140 -0.886 -22.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 0.690 -0.324 -22.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 1.793 0.776 -22.848 1.00 0.00 H new ATOM 311 N LEU A 112 1.154 4.405 -15.385 1.00 0.00 N ATOM 312 CA LEU A 112 1.006 5.688 -14.604 1.00 0.00 C ATOM 313 C LEU A 112 2.160 5.857 -13.574 1.00 0.00 C ATOM 314 O LEU A 112 2.634 6.992 -13.447 1.00 0.00 O ATOM 315 CB LEU A 112 -0.383 5.934 -13.910 1.00 0.00 C ATOM 316 CG LEU A 112 -1.504 6.382 -14.890 1.00 0.00 C ATOM 317 CD1 LEU A 112 -2.882 6.273 -14.223 1.00 0.00 C ATOM 318 CD2 LEU A 112 -1.315 7.822 -15.419 1.00 0.00 C ATOM 0 H LEU A 112 0.337 3.797 -15.329 1.00 0.00 H new ATOM 0 HA LEU A 112 1.064 6.457 -15.374 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.696 5.018 -13.409 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.263 6.694 -13.138 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.440 5.706 -15.743 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.652 6.591 -14.925 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -3.063 5.239 -13.929 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.910 6.911 -13.340 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.131 8.071 -16.097 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.313 8.520 -14.582 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.367 7.892 -15.952 1.00 0.00 H new ATOM 330 N PHE A 113 2.666 4.784 -12.901 1.00 0.00 N ATOM 331 CA PHE A 113 3.954 4.884 -12.158 1.00 0.00 C ATOM 332 C PHE A 113 5.121 5.332 -13.117 1.00 0.00 C ATOM 333 O PHE A 113 5.709 6.388 -12.874 1.00 0.00 O ATOM 334 CB PHE A 113 4.444 3.618 -11.392 1.00 0.00 C ATOM 335 CG PHE A 113 3.646 2.694 -10.440 1.00 0.00 C ATOM 336 CD1 PHE A 113 3.344 3.109 -9.132 1.00 0.00 C ATOM 337 CD2 PHE A 113 3.793 1.319 -10.693 1.00 0.00 C ATOM 338 CE1 PHE A 113 3.245 2.159 -8.106 1.00 0.00 C ATOM 339 CE2 PHE A 113 3.747 0.397 -9.650 1.00 0.00 C ATOM 340 CZ PHE A 113 3.429 0.814 -8.380 1.00 0.00 C ATOM 0 H PHE A 113 2.218 3.869 -12.858 1.00 0.00 H new ATOM 0 HA PHE A 113 3.717 5.623 -11.393 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.834 2.956 -12.165 1.00 0.00 H new ATOM 0 HB3 PHE A 113 5.296 3.958 -10.804 1.00 0.00 H new ATOM 0 HD1 PHE A 113 3.189 4.156 -8.918 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.943 0.974 -11.705 1.00 0.00 H new ATOM 0 HE1 PHE A 113 3.024 2.477 -7.098 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.961 -0.645 -9.839 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.322 0.087 -7.589 1.00 0.00 H new ATOM 350 N ASP A 114 5.440 4.573 -14.196 1.00 0.00 N ATOM 351 CA ASP A 114 6.649 4.834 -15.024 1.00 0.00 C ATOM 352 C ASP A 114 6.350 5.922 -16.102 1.00 0.00 C ATOM 353 O ASP A 114 5.798 5.647 -17.172 1.00 0.00 O ATOM 354 CB ASP A 114 7.203 3.506 -15.611 1.00 0.00 C ATOM 355 CG ASP A 114 8.715 3.545 -15.890 1.00 0.00 C ATOM 356 OD1 ASP A 114 9.156 4.332 -16.755 1.00 0.00 O ATOM 357 OD2 ASP A 114 9.471 2.799 -15.229 1.00 0.00 O ATOM 0 H ASP A 114 4.882 3.780 -14.513 1.00 0.00 H new ATOM 0 HA ASP A 114 7.442 5.241 -14.397 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.990 2.694 -14.916 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.676 3.279 -16.538 1.00 0.00 H new ATOM 422 N LYS A 120 10.134 -0.657 -14.547 1.00 0.00 N ATOM 423 CA LYS A 120 10.204 -0.784 -13.064 1.00 0.00 C ATOM 424 C LYS A 120 10.408 0.577 -12.360 1.00 0.00 C ATOM 425 O LYS A 120 11.045 1.475 -12.922 1.00 0.00 O ATOM 426 CB LYS A 120 11.437 -1.634 -12.708 1.00 0.00 C ATOM 427 CG LYS A 120 11.450 -3.072 -13.273 1.00 0.00 C ATOM 428 CD LYS A 120 12.590 -3.927 -12.678 1.00 0.00 C ATOM 429 CE LYS A 120 12.606 -5.372 -13.212 1.00 0.00 C ATOM 430 NZ LYS A 120 13.701 -6.158 -12.616 1.00 0.00 N ATOM 0 HA LYS A 120 9.262 -1.224 -12.736 1.00 0.00 H new ATOM 0 HB2 LYS A 120 12.327 -1.116 -13.065 1.00 0.00 H new ATOM 0 HB3 LYS A 120 11.515 -1.690 -11.622 1.00 0.00 H new ATOM 0 HG2 LYS A 120 10.493 -3.550 -13.064 1.00 0.00 H new ATOM 0 HG3 LYS A 120 11.556 -3.033 -14.357 1.00 0.00 H new ATOM 0 HD2 LYS A 120 13.546 -3.453 -12.902 1.00 0.00 H new ATOM 0 HD3 LYS A 120 12.491 -3.948 -11.593 1.00 0.00 H new ATOM 0 HE2 LYS A 120 11.652 -5.852 -12.994 1.00 0.00 H new ATOM 0 HE3 LYS A 120 12.715 -5.359 -14.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 13.682 -7.125 -12.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 14.613 -5.713 -12.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 13.582 -6.191 -11.583 1.00 0.00 H new ATOM 444 N ILE A 121 9.873 0.721 -11.123 1.00 0.00 N ATOM 445 CA ILE A 121 9.788 2.061 -10.449 1.00 0.00 C ATOM 446 C ILE A 121 10.384 2.177 -9.005 1.00 0.00 C ATOM 447 O ILE A 121 10.747 1.194 -8.354 1.00 0.00 O ATOM 448 CB ILE A 121 8.309 2.600 -10.523 1.00 0.00 C ATOM 449 CG1 ILE A 121 7.157 1.714 -9.994 1.00 0.00 C ATOM 450 CG2 ILE A 121 8.009 3.095 -11.958 1.00 0.00 C ATOM 451 CD1 ILE A 121 7.244 1.317 -8.529 1.00 0.00 C ATOM 0 H ILE A 121 9.498 -0.051 -10.572 1.00 0.00 H new ATOM 0 HA ILE A 121 10.461 2.700 -11.021 1.00 0.00 H new ATOM 0 HB ILE A 121 8.309 3.408 -9.792 1.00 0.00 H new ATOM 0 HG12 ILE A 121 6.216 2.242 -10.152 1.00 0.00 H new ATOM 0 HG13 ILE A 121 7.118 0.805 -10.595 1.00 0.00 H new ATOM 0 HG21 ILE A 121 6.986 3.468 -12.008 1.00 0.00 H new ATOM 0 HG22 ILE A 121 8.700 3.897 -12.218 1.00 0.00 H new ATOM 0 HG23 ILE A 121 8.129 2.270 -12.660 1.00 0.00 H new ATOM 0 HD11 ILE A 121 6.386 0.698 -8.268 1.00 0.00 H new ATOM 0 HD12 ILE A 121 8.162 0.755 -8.358 1.00 0.00 H new ATOM 0 HD13 ILE A 121 7.247 2.213 -7.909 1.00 0.00 H new ATOM 463 N SER A 122 10.453 3.448 -8.539 1.00 0.00 N ATOM 464 CA SER A 122 10.903 3.843 -7.182 1.00 0.00 C ATOM 465 C SER A 122 9.766 4.513 -6.336 1.00 0.00 C ATOM 466 O SER A 122 8.657 4.777 -6.810 1.00 0.00 O ATOM 467 CB SER A 122 12.151 4.746 -7.357 1.00 0.00 C ATOM 468 OG SER A 122 13.231 4.049 -7.974 1.00 0.00 O ATOM 0 H SER A 122 10.190 4.249 -9.113 1.00 0.00 H new ATOM 0 HA SER A 122 11.169 2.959 -6.602 1.00 0.00 H new ATOM 0 HB2 SER A 122 11.888 5.615 -7.960 1.00 0.00 H new ATOM 0 HB3 SER A 122 12.469 5.118 -6.383 1.00 0.00 H new ATOM 0 HG SER A 122 13.998 4.652 -8.068 1.00 0.00 H new ATOM 474 N PHE A 123 10.103 4.773 -5.053 1.00 0.00 N ATOM 475 CA PHE A 123 9.283 5.500 -4.028 1.00 0.00 C ATOM 476 C PHE A 123 8.367 6.688 -4.494 1.00 0.00 C ATOM 477 O PHE A 123 7.180 6.777 -4.142 1.00 0.00 O ATOM 478 CB PHE A 123 10.328 5.864 -2.912 1.00 0.00 C ATOM 479 CG PHE A 123 9.863 6.741 -1.740 1.00 0.00 C ATOM 480 CD1 PHE A 123 9.747 8.126 -1.917 1.00 0.00 C ATOM 481 CD2 PHE A 123 9.464 6.170 -0.528 1.00 0.00 C ATOM 482 CE1 PHE A 123 9.111 8.904 -0.959 1.00 0.00 C ATOM 483 CE2 PHE A 123 8.873 6.964 0.451 1.00 0.00 C ATOM 484 CZ PHE A 123 8.634 8.315 0.207 1.00 0.00 C ATOM 0 H PHE A 123 11.000 4.470 -4.673 1.00 0.00 H new ATOM 0 HA PHE A 123 8.476 4.854 -3.682 1.00 0.00 H new ATOM 0 HB2 PHE A 123 10.711 4.931 -2.498 1.00 0.00 H new ATOM 0 HB3 PHE A 123 11.166 6.368 -3.393 1.00 0.00 H new ATOM 0 HD1 PHE A 123 10.154 8.591 -2.803 1.00 0.00 H new ATOM 0 HD2 PHE A 123 9.614 5.115 -0.351 1.00 0.00 H new ATOM 0 HE1 PHE A 123 8.987 9.965 -1.119 1.00 0.00 H new ATOM 0 HE2 PHE A 123 8.599 6.532 1.402 1.00 0.00 H new ATOM 0 HZ PHE A 123 8.079 8.904 0.922 1.00 0.00 H new ATOM 494 N LYS A 124 8.975 7.620 -5.236 1.00 0.00 N ATOM 495 CA LYS A 124 8.288 8.837 -5.735 1.00 0.00 C ATOM 496 C LYS A 124 7.187 8.602 -6.788 1.00 0.00 C ATOM 497 O LYS A 124 6.179 9.311 -6.771 1.00 0.00 O ATOM 498 CB LYS A 124 9.300 9.810 -6.343 1.00 0.00 C ATOM 499 CG LYS A 124 10.055 10.579 -5.254 1.00 0.00 C ATOM 500 CD LYS A 124 10.888 11.745 -5.817 1.00 0.00 C ATOM 501 CE LYS A 124 11.690 12.440 -4.709 1.00 0.00 C ATOM 502 NZ LYS A 124 12.462 13.586 -5.224 1.00 0.00 N ATOM 0 H LYS A 124 9.955 7.561 -5.512 1.00 0.00 H new ATOM 0 HA LYS A 124 7.799 9.238 -4.847 1.00 0.00 H new ATOM 0 HB2 LYS A 124 10.010 9.261 -6.962 1.00 0.00 H new ATOM 0 HB3 LYS A 124 8.784 10.513 -6.997 1.00 0.00 H new ATOM 0 HG2 LYS A 124 9.341 10.966 -4.527 1.00 0.00 H new ATOM 0 HG3 LYS A 124 10.713 9.893 -4.720 1.00 0.00 H new ATOM 0 HD2 LYS A 124 11.568 11.373 -6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 124 10.229 12.467 -6.300 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.010 12.782 -3.929 1.00 0.00 H new ATOM 0 HE3 LYS A 124 12.369 11.723 -4.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 12.990 14.028 -4.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 13.129 13.257 -5.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 11.812 14.283 -5.641 1.00 0.00 H new ATOM 516 N ASN A 125 7.350 7.608 -7.680 1.00 0.00 N ATOM 517 CA ASN A 125 6.277 7.219 -8.650 1.00 0.00 C ATOM 518 C ASN A 125 4.943 6.758 -7.955 1.00 0.00 C ATOM 519 O ASN A 125 3.871 7.285 -8.318 1.00 0.00 O ATOM 520 CB ASN A 125 6.794 6.207 -9.713 1.00 0.00 C ATOM 521 CG ASN A 125 8.117 6.563 -10.437 1.00 0.00 C ATOM 522 OD1 ASN A 125 9.156 5.947 -10.204 1.00 0.00 O ATOM 523 ND2 ASN A 125 8.126 7.574 -11.291 1.00 0.00 N ATOM 0 H ASN A 125 8.203 7.055 -7.759 1.00 0.00 H new ATOM 0 HA ASN A 125 6.010 8.128 -9.190 1.00 0.00 H new ATOM 0 HB2 ASN A 125 6.924 5.241 -9.226 1.00 0.00 H new ATOM 0 HB3 ASN A 125 6.018 6.082 -10.468 1.00 0.00 H new ATOM 0 HD21 ASN A 125 8.994 7.842 -11.755 1.00 0.00 H new ATOM 0 HD22 ASN A 125 7.265 8.085 -11.485 1.00 0.00 H new ATOM 530 N LEU A 126 5.061 5.878 -6.907 1.00 0.00 N ATOM 531 CA LEU A 126 3.964 5.515 -5.953 1.00 0.00 C ATOM 532 C LEU A 126 3.257 6.807 -5.436 1.00 0.00 C ATOM 533 O LEU A 126 2.113 7.067 -5.824 1.00 0.00 O ATOM 534 CB LEU A 126 4.457 4.716 -4.688 1.00 0.00 C ATOM 535 CG LEU A 126 4.952 3.249 -4.725 1.00 0.00 C ATOM 536 CD1 LEU A 126 6.278 3.053 -5.472 1.00 0.00 C ATOM 537 CD2 LEU A 126 5.116 2.738 -3.275 1.00 0.00 C ATOM 0 H LEU A 126 5.936 5.396 -6.701 1.00 0.00 H new ATOM 0 HA LEU A 126 3.289 4.874 -6.520 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.271 5.300 -4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.634 4.741 -3.973 1.00 0.00 H new ATOM 0 HG LEU A 126 4.199 2.683 -5.274 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.555 1.999 -5.452 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.165 3.379 -6.506 1.00 0.00 H new ATOM 0 HD13 LEU A 126 7.058 3.642 -4.989 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.464 1.705 -3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 126 5.843 3.358 -2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.157 2.790 -2.760 1.00 0.00 H new ATOM 549 N LYS A 127 3.996 7.643 -4.664 1.00 0.00 N ATOM 550 CA LYS A 127 3.501 8.953 -4.195 1.00 0.00 C ATOM 551 C LYS A 127 3.062 10.014 -5.234 1.00 0.00 C ATOM 552 O LYS A 127 2.433 10.996 -4.851 1.00 0.00 O ATOM 553 CB LYS A 127 4.680 9.634 -3.507 1.00 0.00 C ATOM 554 CG LYS A 127 4.191 10.691 -2.476 1.00 0.00 C ATOM 555 CD LYS A 127 5.261 11.674 -1.945 1.00 0.00 C ATOM 556 CE LYS A 127 6.089 11.163 -0.748 1.00 0.00 C ATOM 557 NZ LYS A 127 7.096 12.150 -0.319 1.00 0.00 N ATOM 0 H LYS A 127 4.943 7.427 -4.354 1.00 0.00 H new ATOM 0 HA LYS A 127 2.615 8.690 -3.617 1.00 0.00 H new ATOM 0 HB2 LYS A 127 5.293 8.886 -3.003 1.00 0.00 H new ATOM 0 HB3 LYS A 127 5.313 10.115 -4.253 1.00 0.00 H new ATOM 0 HG2 LYS A 127 3.390 11.271 -2.934 1.00 0.00 H new ATOM 0 HG3 LYS A 127 3.757 10.165 -1.626 1.00 0.00 H new ATOM 0 HD2 LYS A 127 5.943 11.918 -2.760 1.00 0.00 H new ATOM 0 HD3 LYS A 127 4.767 12.601 -1.655 1.00 0.00 H new ATOM 0 HE2 LYS A 127 5.423 10.937 0.085 1.00 0.00 H new ATOM 0 HE3 LYS A 127 6.586 10.232 -1.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 7.632 11.771 0.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 7.747 12.347 -1.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 6.620 13.030 -0.035 1.00 0.00 H new ATOM 571 N ARG A 128 3.480 9.900 -6.499 1.00 0.00 N ATOM 572 CA ARG A 128 3.386 10.968 -7.484 1.00 0.00 C ATOM 573 C ARG A 128 2.036 10.971 -8.175 1.00 0.00 C ATOM 574 O ARG A 128 1.256 11.917 -8.016 1.00 0.00 O ATOM 575 CB ARG A 128 4.534 10.541 -8.386 1.00 0.00 C ATOM 576 CG ARG A 128 4.958 11.670 -9.304 1.00 0.00 C ATOM 577 CD ARG A 128 6.022 12.631 -8.740 1.00 0.00 C ATOM 578 NE ARG A 128 6.333 13.718 -9.707 1.00 0.00 N ATOM 579 CZ ARG A 128 7.243 14.689 -9.492 1.00 0.00 C ATOM 580 NH1 ARG A 128 7.980 14.787 -8.387 1.00 0.00 N ATOM 581 NH2 ARG A 128 7.415 15.598 -10.435 1.00 0.00 N ATOM 0 H ARG A 128 3.899 9.046 -6.867 1.00 0.00 H new ATOM 0 HA ARG A 128 3.458 11.989 -7.109 1.00 0.00 H new ATOM 0 HB2 ARG A 128 5.381 10.226 -7.777 1.00 0.00 H new ATOM 0 HB3 ARG A 128 4.232 9.679 -8.981 1.00 0.00 H new ATOM 0 HG2 ARG A 128 5.341 11.237 -10.228 1.00 0.00 H new ATOM 0 HG3 ARG A 128 4.074 12.251 -9.566 1.00 0.00 H new ATOM 0 HD2 ARG A 128 5.666 13.064 -7.805 1.00 0.00 H new ATOM 0 HD3 ARG A 128 6.931 12.076 -8.509 1.00 0.00 H new ATOM 0 HE ARG A 128 5.824 13.729 -10.591 1.00 0.00 H new ATOM 0 HH11 ARG A 128 7.873 14.101 -7.640 1.00 0.00 H new ATOM 0 HH12 ARG A 128 8.652 15.548 -8.288 1.00 0.00 H new ATOM 0 HH21 ARG A 128 6.867 15.552 -11.294 1.00 0.00 H new ATOM 0 HH22 ARG A 128 8.096 16.346 -10.304 1.00 0.00 H new ATOM 595 N VAL A 129 1.746 9.870 -8.884 1.00 0.00 N ATOM 596 CA VAL A 129 0.377 9.638 -9.403 1.00 0.00 C ATOM 597 C VAL A 129 -0.651 9.292 -8.278 1.00 0.00 C ATOM 598 O VAL A 129 -1.793 9.750 -8.395 1.00 0.00 O ATOM 599 CB VAL A 129 0.469 8.635 -10.577 1.00 0.00 C ATOM 600 CG1 VAL A 129 0.836 9.383 -11.850 1.00 0.00 C ATOM 601 CG2 VAL A 129 1.440 7.452 -10.417 1.00 0.00 C ATOM 0 H VAL A 129 2.419 9.138 -9.111 1.00 0.00 H new ATOM 0 HA VAL A 129 -0.043 10.560 -9.805 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.522 8.182 -10.609 1.00 0.00 H new ATOM 0 HG11 VAL A 129 0.902 8.679 -12.680 1.00 0.00 H new ATOM 0 HG12 VAL A 129 0.071 10.129 -12.067 1.00 0.00 H new ATOM 0 HG13 VAL A 129 1.798 9.878 -11.717 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.405 6.829 -11.311 1.00 0.00 H new ATOM 0 HG22 VAL A 129 2.453 7.829 -10.277 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.151 6.859 -9.550 1.00 0.00 H new ATOM 611 N ALA A 130 -0.296 8.526 -7.207 1.00 0.00 N ATOM 612 CA ALA A 130 -1.202 8.421 -6.004 1.00 0.00 C ATOM 613 C ALA A 130 -1.360 9.766 -5.227 1.00 0.00 C ATOM 614 O ALA A 130 -2.409 10.040 -4.638 1.00 0.00 O ATOM 615 CB ALA A 130 -0.773 7.344 -4.986 1.00 0.00 C ATOM 0 H ALA A 130 0.570 7.990 -7.141 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.156 8.135 -6.447 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -1.475 7.332 -4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -0.768 6.367 -5.470 1.00 0.00 H new ATOM 0 HB3 ALA A 130 0.227 7.571 -4.616 1.00 0.00 H new ATOM 621 N LYS A 131 -0.300 10.587 -5.281 1.00 0.00 N ATOM 622 CA LYS A 131 -0.317 11.998 -4.800 1.00 0.00 C ATOM 623 C LYS A 131 -1.278 12.980 -5.523 1.00 0.00 C ATOM 624 O LYS A 131 -1.822 13.869 -4.862 1.00 0.00 O ATOM 625 CB LYS A 131 1.116 12.534 -4.875 1.00 0.00 C ATOM 626 CG LYS A 131 1.266 13.812 -4.036 1.00 0.00 C ATOM 627 CD LYS A 131 2.701 14.381 -4.037 1.00 0.00 C ATOM 628 CE LYS A 131 2.860 15.633 -3.150 1.00 0.00 C ATOM 629 NZ LYS A 131 4.240 16.149 -3.185 1.00 0.00 N ATOM 0 H LYS A 131 0.603 10.300 -5.659 1.00 0.00 H new ATOM 0 HA LYS A 131 -0.714 11.954 -3.786 1.00 0.00 H new ATOM 0 HB2 LYS A 131 1.812 11.775 -4.517 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.377 12.742 -5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.582 14.570 -4.417 1.00 0.00 H new ATOM 0 HG3 LYS A 131 0.968 13.601 -3.009 1.00 0.00 H new ATOM 0 HD2 LYS A 131 3.391 13.610 -3.693 1.00 0.00 H new ATOM 0 HD3 LYS A 131 2.985 14.630 -5.059 1.00 0.00 H new ATOM 0 HE2 LYS A 131 2.172 16.408 -3.487 1.00 0.00 H new ATOM 0 HE3 LYS A 131 2.588 15.389 -2.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 4.311 16.990 -2.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 4.893 15.417 -2.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 4.491 16.404 -4.162 1.00 0.00 H new ATOM 643 N GLU A 132 -1.496 12.815 -6.847 1.00 0.00 N ATOM 644 CA GLU A 132 -2.578 13.524 -7.609 1.00 0.00 C ATOM 645 C GLU A 132 -3.989 13.459 -6.930 1.00 0.00 C ATOM 646 O GLU A 132 -4.658 14.489 -6.807 1.00 0.00 O ATOM 647 CB GLU A 132 -2.724 13.021 -9.070 1.00 0.00 C ATOM 648 CG GLU A 132 -1.515 13.248 -10.018 1.00 0.00 C ATOM 649 CD GLU A 132 -1.910 13.580 -11.461 1.00 0.00 C ATOM 650 OE1 GLU A 132 -2.131 12.644 -12.261 1.00 0.00 O ATOM 651 OE2 GLU A 132 -2.003 14.782 -11.801 1.00 0.00 O ATOM 0 H GLU A 132 -0.935 12.191 -7.427 1.00 0.00 H new ATOM 0 HA GLU A 132 -2.240 14.560 -7.608 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -2.935 11.952 -9.041 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -3.595 13.506 -9.510 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -0.904 14.060 -9.623 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -0.894 12.353 -10.019 1.00 0.00 H new ATOM 658 N LEU A 133 -4.399 12.260 -6.463 1.00 0.00 N ATOM 659 CA LEU A 133 -5.583 12.066 -5.574 1.00 0.00 C ATOM 660 C LEU A 133 -5.460 12.810 -4.202 1.00 0.00 C ATOM 661 O LEU A 133 -6.358 13.573 -3.836 1.00 0.00 O ATOM 662 CB LEU A 133 -5.845 10.519 -5.457 1.00 0.00 C ATOM 663 CG LEU A 133 -6.514 9.905 -4.185 1.00 0.00 C ATOM 664 CD1 LEU A 133 -7.988 10.285 -3.974 1.00 0.00 C ATOM 665 CD2 LEU A 133 -6.360 8.376 -4.168 1.00 0.00 C ATOM 0 H LEU A 133 -3.920 11.389 -6.689 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.461 12.537 -6.017 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -6.462 10.235 -6.310 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -4.882 10.023 -5.581 1.00 0.00 H new ATOM 0 HG LEU A 133 -5.973 10.350 -3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -8.360 9.810 -3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -8.075 11.367 -3.878 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -8.576 9.948 -4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -6.834 7.973 -3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -6.836 7.953 -5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -5.301 8.117 -4.166 1.00 0.00 H new ATOM 773 N GLU A 141 5.171 5.158 6.615 1.00 0.00 N ATOM 774 CA GLU A 141 4.399 4.048 5.981 1.00 0.00 C ATOM 775 C GLU A 141 4.866 3.715 4.533 1.00 0.00 C ATOM 776 O GLU A 141 5.187 2.564 4.247 1.00 0.00 O ATOM 777 CB GLU A 141 2.891 4.402 5.945 1.00 0.00 C ATOM 778 CG GLU A 141 2.181 4.417 7.319 1.00 0.00 C ATOM 779 CD GLU A 141 0.723 4.883 7.239 1.00 0.00 C ATOM 780 OE1 GLU A 141 -0.160 4.055 6.923 1.00 0.00 O ATOM 781 OE2 GLU A 141 0.453 6.079 7.492 1.00 0.00 O ATOM 0 HA GLU A 141 4.581 3.166 6.596 1.00 0.00 H new ATOM 0 HB2 GLU A 141 2.776 5.383 5.485 1.00 0.00 H new ATOM 0 HB3 GLU A 141 2.382 3.686 5.300 1.00 0.00 H new ATOM 0 HG2 GLU A 141 2.213 3.416 7.748 1.00 0.00 H new ATOM 0 HG3 GLU A 141 2.729 5.072 7.997 1.00 0.00 H new ATOM 788 N LEU A 142 4.932 4.735 3.661 1.00 0.00 N ATOM 789 CA LEU A 142 5.520 4.684 2.287 1.00 0.00 C ATOM 790 C LEU A 142 6.948 4.022 2.147 1.00 0.00 C ATOM 791 O LEU A 142 7.176 3.177 1.269 1.00 0.00 O ATOM 792 CB LEU A 142 5.441 6.165 1.762 1.00 0.00 C ATOM 793 CG LEU A 142 4.855 6.387 0.348 1.00 0.00 C ATOM 794 CD1 LEU A 142 4.487 7.859 0.087 1.00 0.00 C ATOM 795 CD2 LEU A 142 5.777 5.929 -0.781 1.00 0.00 C ATOM 0 H LEU A 142 4.566 5.659 3.891 1.00 0.00 H new ATOM 0 HA LEU A 142 4.948 3.992 1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 142 4.844 6.742 2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 142 6.448 6.583 1.779 1.00 0.00 H new ATOM 0 HG LEU A 142 3.958 5.768 0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 142 4.080 7.959 -0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 142 3.741 8.182 0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 142 5.378 8.479 0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 142 5.297 6.117 -1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 142 6.716 6.480 -0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 142 5.976 4.862 -0.678 1.00 0.00 H new ATOM 807 N GLN A 143 7.882 4.386 3.052 1.00 0.00 N ATOM 808 CA GLN A 143 9.211 3.721 3.215 1.00 0.00 C ATOM 809 C GLN A 143 9.113 2.223 3.643 1.00 0.00 C ATOM 810 O GLN A 143 9.841 1.388 3.100 1.00 0.00 O ATOM 811 CB GLN A 143 10.081 4.515 4.235 1.00 0.00 C ATOM 812 CG GLN A 143 10.698 5.839 3.723 1.00 0.00 C ATOM 813 CD GLN A 143 11.345 6.692 4.826 1.00 0.00 C ATOM 814 OE1 GLN A 143 12.041 6.202 5.716 1.00 0.00 O ATOM 815 NE2 GLN A 143 11.156 8.000 4.768 1.00 0.00 N ATOM 0 H GLN A 143 7.741 5.159 3.702 1.00 0.00 H new ATOM 0 HA GLN A 143 9.683 3.727 2.232 1.00 0.00 H new ATOM 0 HB2 GLN A 143 9.467 4.738 5.108 1.00 0.00 H new ATOM 0 HB3 GLN A 143 10.891 3.867 4.572 1.00 0.00 H new ATOM 0 HG2 GLN A 143 11.449 5.610 2.967 1.00 0.00 H new ATOM 0 HG3 GLN A 143 9.921 6.425 3.233 1.00 0.00 H new ATOM 0 HE21 GLN A 143 10.578 8.400 4.028 1.00 0.00 H new ATOM 0 HE22 GLN A 143 11.588 8.609 5.463 1.00 0.00 H new ATOM 824 N GLU A 144 8.205 1.885 4.581 1.00 0.00 N ATOM 825 CA GLU A 144 7.840 0.500 4.932 1.00 0.00 C ATOM 826 C GLU A 144 7.302 -0.380 3.772 1.00 0.00 C ATOM 827 O GLU A 144 7.703 -1.541 3.692 1.00 0.00 O ATOM 828 CB GLU A 144 6.756 0.632 6.045 1.00 0.00 C ATOM 829 CG GLU A 144 6.685 -0.506 7.075 1.00 0.00 C ATOM 830 CD GLU A 144 5.441 -0.459 7.972 1.00 0.00 C ATOM 831 OE1 GLU A 144 4.405 -1.053 7.598 1.00 0.00 O ATOM 832 OE2 GLU A 144 5.493 0.172 9.052 1.00 0.00 O ATOM 0 H GLU A 144 7.696 2.581 5.125 1.00 0.00 H new ATOM 0 HA GLU A 144 8.746 -0.021 5.242 1.00 0.00 H new ATOM 0 HB2 GLU A 144 6.929 1.566 6.580 1.00 0.00 H new ATOM 0 HB3 GLU A 144 5.782 0.717 5.563 1.00 0.00 H new ATOM 0 HG2 GLU A 144 6.705 -1.460 6.549 1.00 0.00 H new ATOM 0 HG3 GLU A 144 7.575 -0.470 7.703 1.00 0.00 H new ATOM 839 N MET A 145 6.449 0.172 2.876 1.00 0.00 N ATOM 840 CA MET A 145 6.052 -0.506 1.612 1.00 0.00 C ATOM 841 C MET A 145 7.265 -0.854 0.708 1.00 0.00 C ATOM 842 O MET A 145 7.448 -2.032 0.393 1.00 0.00 O ATOM 843 CB MET A 145 5.002 0.323 0.815 1.00 0.00 C ATOM 844 CG MET A 145 3.562 0.287 1.346 1.00 0.00 C ATOM 845 SD MET A 145 3.232 1.682 2.438 1.00 0.00 S ATOM 846 CE MET A 145 2.324 2.802 1.353 1.00 0.00 C ATOM 0 H MET A 145 6.020 1.088 3.004 1.00 0.00 H new ATOM 0 HA MET A 145 5.591 -1.447 1.914 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.332 1.362 0.792 1.00 0.00 H new ATOM 0 HB3 MET A 145 4.996 -0.033 -0.215 1.00 0.00 H new ATOM 0 HG2 MET A 145 2.863 0.304 0.510 1.00 0.00 H new ATOM 0 HG3 MET A 145 3.393 -0.646 1.883 1.00 0.00 H new ATOM 0 HE1 MET A 145 2.275 3.791 1.809 1.00 0.00 H new ATOM 0 HE2 MET A 145 2.834 2.871 0.392 1.00 0.00 H new ATOM 0 HE3 MET A 145 1.314 2.422 1.201 1.00 0.00 H new ATOM 856 N ILE A 146 8.102 0.133 0.327 1.00 0.00 N ATOM 857 CA ILE A 146 9.258 -0.136 -0.589 1.00 0.00 C ATOM 858 C ILE A 146 10.359 -1.112 -0.038 1.00 0.00 C ATOM 859 O ILE A 146 10.891 -1.930 -0.795 1.00 0.00 O ATOM 860 CB ILE A 146 9.822 1.207 -1.168 1.00 0.00 C ATOM 861 CG1 ILE A 146 10.497 0.997 -2.554 1.00 0.00 C ATOM 862 CG2 ILE A 146 10.783 1.972 -0.224 1.00 0.00 C ATOM 863 CD1 ILE A 146 9.578 0.576 -3.714 1.00 0.00 C ATOM 0 H ILE A 146 8.014 1.105 0.624 1.00 0.00 H new ATOM 0 HA ILE A 146 8.853 -0.717 -1.418 1.00 0.00 H new ATOM 0 HB ILE A 146 8.941 1.839 -1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 146 10.995 1.925 -2.834 1.00 0.00 H new ATOM 0 HG13 ILE A 146 11.273 0.240 -2.443 1.00 0.00 H new ATOM 0 HG21 ILE A 146 11.120 2.887 -0.712 1.00 0.00 H new ATOM 0 HG22 ILE A 146 10.262 2.224 0.699 1.00 0.00 H new ATOM 0 HG23 ILE A 146 11.644 1.344 0.005 1.00 0.00 H new ATOM 0 HD11 ILE A 146 10.168 0.463 -4.623 1.00 0.00 H new ATOM 0 HD12 ILE A 146 9.098 -0.372 -3.472 1.00 0.00 H new ATOM 0 HD13 ILE A 146 8.815 1.339 -3.869 1.00 0.00 H new ATOM 875 N ASP A 147 10.643 -1.033 1.273 1.00 0.00 N ATOM 876 CA ASP A 147 11.480 -2.045 1.998 1.00 0.00 C ATOM 877 C ASP A 147 10.865 -3.486 1.997 1.00 0.00 C ATOM 878 O ASP A 147 11.603 -4.448 1.770 1.00 0.00 O ATOM 879 CB ASP A 147 11.836 -1.576 3.439 1.00 0.00 C ATOM 880 CG ASP A 147 12.922 -2.402 4.147 1.00 0.00 C ATOM 881 OD1 ASP A 147 14.124 -2.178 3.882 1.00 0.00 O ATOM 882 OD2 ASP A 147 12.575 -3.281 4.967 1.00 0.00 O ATOM 0 H ASP A 147 10.308 -0.277 1.870 1.00 0.00 H new ATOM 0 HA ASP A 147 12.408 -2.117 1.430 1.00 0.00 H new ATOM 0 HB2 ASP A 147 12.163 -0.537 3.395 1.00 0.00 H new ATOM 0 HB3 ASP A 147 10.931 -1.600 4.046 1.00 0.00 H new ATOM 887 N GLU A 148 9.540 -3.630 2.216 1.00 0.00 N ATOM 888 CA GLU A 148 8.790 -4.892 2.036 1.00 0.00 C ATOM 889 C GLU A 148 8.951 -5.604 0.660 1.00 0.00 C ATOM 890 O GLU A 148 9.335 -6.777 0.623 1.00 0.00 O ATOM 891 CB GLU A 148 7.295 -4.532 2.276 1.00 0.00 C ATOM 892 CG GLU A 148 6.647 -5.172 3.517 1.00 0.00 C ATOM 893 CD GLU A 148 7.036 -4.523 4.854 1.00 0.00 C ATOM 894 OE1 GLU A 148 8.109 -4.859 5.402 1.00 0.00 O ATOM 895 OE2 GLU A 148 6.268 -3.675 5.361 1.00 0.00 O ATOM 0 H GLU A 148 8.951 -2.858 2.529 1.00 0.00 H new ATOM 0 HA GLU A 148 9.196 -5.619 2.740 1.00 0.00 H new ATOM 0 HB2 GLU A 148 7.210 -3.449 2.362 1.00 0.00 H new ATOM 0 HB3 GLU A 148 6.723 -4.828 1.396 1.00 0.00 H new ATOM 0 HG2 GLU A 148 5.563 -5.126 3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 148 6.919 -6.227 3.548 1.00 0.00 H new ATOM 902 N ALA A 149 8.635 -4.894 -0.444 1.00 0.00 N ATOM 903 CA ALA A 149 8.737 -5.438 -1.826 1.00 0.00 C ATOM 904 C ALA A 149 10.130 -5.958 -2.265 1.00 0.00 C ATOM 905 O ALA A 149 10.213 -7.069 -2.798 1.00 0.00 O ATOM 906 CB ALA A 149 8.270 -4.358 -2.815 1.00 0.00 C ATOM 0 H ALA A 149 8.303 -3.930 -0.409 1.00 0.00 H new ATOM 0 HA ALA A 149 8.101 -6.323 -1.828 1.00 0.00 H new ATOM 0 HB1 ALA A 149 8.339 -4.742 -3.833 1.00 0.00 H new ATOM 0 HB2 ALA A 149 7.236 -4.089 -2.598 1.00 0.00 H new ATOM 0 HB3 ALA A 149 8.903 -3.476 -2.716 1.00 0.00 H new ATOM 1001 N VAL A 157 10.899 -1.903 -8.549 1.00 0.00 N ATOM 1002 CA VAL A 157 9.695 -2.784 -8.436 1.00 0.00 C ATOM 1003 C VAL A 157 9.124 -3.140 -9.844 1.00 0.00 C ATOM 1004 O VAL A 157 9.408 -2.489 -10.856 1.00 0.00 O ATOM 1005 CB VAL A 157 8.686 -2.077 -7.454 1.00 0.00 C ATOM 1006 CG1 VAL A 157 7.180 -2.079 -7.813 1.00 0.00 C ATOM 1007 CG2 VAL A 157 8.851 -2.588 -6.015 1.00 0.00 C ATOM 0 HA VAL A 157 9.937 -3.757 -8.010 1.00 0.00 H new ATOM 0 HB VAL A 157 8.985 -1.035 -7.563 1.00 0.00 H new ATOM 0 HG11 VAL A 157 6.621 -1.554 -7.039 1.00 0.00 H new ATOM 0 HG12 VAL A 157 7.033 -1.578 -8.770 1.00 0.00 H new ATOM 0 HG13 VAL A 157 6.824 -3.107 -7.884 1.00 0.00 H new ATOM 0 HG21 VAL A 157 8.140 -2.079 -5.364 1.00 0.00 H new ATOM 0 HG22 VAL A 157 8.665 -3.662 -5.987 1.00 0.00 H new ATOM 0 HG23 VAL A 157 9.866 -2.386 -5.671 1.00 0.00 H new ATOM 1017 N SER A 158 8.350 -4.241 -9.853 1.00 0.00 N ATOM 1018 CA SER A 158 7.890 -4.950 -11.078 1.00 0.00 C ATOM 1019 C SER A 158 6.327 -4.916 -11.153 1.00 0.00 C ATOM 1020 O SER A 158 5.634 -4.550 -10.197 1.00 0.00 O ATOM 1021 CB SER A 158 8.464 -6.423 -11.019 1.00 0.00 C ATOM 1022 OG SER A 158 9.789 -6.504 -10.492 1.00 0.00 O ATOM 0 H SER A 158 8.016 -4.678 -8.994 1.00 0.00 H new ATOM 0 HA SER A 158 8.255 -4.467 -11.985 1.00 0.00 H new ATOM 0 HB2 SER A 158 7.802 -7.037 -10.408 1.00 0.00 H new ATOM 0 HB3 SER A 158 8.456 -6.847 -12.023 1.00 0.00 H new ATOM 0 HG SER A 158 10.081 -7.440 -10.482 1.00 0.00 H new ATOM 1028 N GLU A 159 5.778 -5.318 -12.317 1.00 0.00 N ATOM 1029 CA GLU A 159 4.297 -5.460 -12.582 1.00 0.00 C ATOM 1030 C GLU A 159 3.443 -6.130 -11.461 1.00 0.00 C ATOM 1031 O GLU A 159 2.377 -5.631 -11.090 1.00 0.00 O ATOM 1032 CB GLU A 159 4.000 -6.142 -13.950 1.00 0.00 C ATOM 1033 CG GLU A 159 4.742 -7.428 -14.392 1.00 0.00 C ATOM 1034 CD GLU A 159 4.189 -7.993 -15.708 1.00 0.00 C ATOM 1035 OE1 GLU A 159 4.665 -7.583 -16.791 1.00 0.00 O ATOM 1036 OE2 GLU A 159 3.276 -8.847 -15.665 1.00 0.00 O ATOM 0 H GLU A 159 6.347 -5.562 -13.127 1.00 0.00 H new ATOM 0 HA GLU A 159 3.972 -4.420 -12.602 1.00 0.00 H new ATOM 0 HB2 GLU A 159 2.934 -6.370 -13.965 1.00 0.00 H new ATOM 0 HB3 GLU A 159 4.177 -5.393 -14.722 1.00 0.00 H new ATOM 0 HG2 GLU A 159 5.804 -7.211 -14.509 1.00 0.00 H new ATOM 0 HG3 GLU A 159 4.656 -8.182 -13.610 1.00 0.00 H new ATOM 1043 N GLN A 160 3.992 -7.214 -10.902 1.00 0.00 N ATOM 1044 CA GLN A 160 3.495 -7.913 -9.691 1.00 0.00 C ATOM 1045 C GLN A 160 3.192 -7.079 -8.406 1.00 0.00 C ATOM 1046 O GLN A 160 2.438 -7.597 -7.581 1.00 0.00 O ATOM 1047 CB GLN A 160 4.522 -9.022 -9.323 1.00 0.00 C ATOM 1048 CG GLN A 160 4.640 -10.191 -10.333 1.00 0.00 C ATOM 1049 CD GLN A 160 5.593 -11.310 -9.880 1.00 0.00 C ATOM 1050 OE1 GLN A 160 5.171 -12.336 -9.348 1.00 0.00 O ATOM 1051 NE2 GLN A 160 6.892 -11.149 -10.096 1.00 0.00 N ATOM 0 H GLN A 160 4.828 -7.653 -11.289 1.00 0.00 H new ATOM 0 HA GLN A 160 2.510 -8.272 -9.990 1.00 0.00 H new ATOM 0 HB2 GLN A 160 5.503 -8.561 -9.213 1.00 0.00 H new ATOM 0 HB3 GLN A 160 4.252 -9.433 -8.350 1.00 0.00 H new ATOM 0 HG2 GLN A 160 3.650 -10.615 -10.500 1.00 0.00 H new ATOM 0 HG3 GLN A 160 4.984 -9.799 -11.290 1.00 0.00 H new ATOM 0 HE21 GLN A 160 7.234 -10.295 -10.538 1.00 0.00 H new ATOM 0 HE22 GLN A 160 7.549 -11.879 -9.820 1.00 0.00 H new ATOM 1060 N GLU A 161 3.732 -5.861 -8.184 1.00 0.00 N ATOM 1061 CA GLU A 161 3.385 -5.073 -6.963 1.00 0.00 C ATOM 1062 C GLU A 161 2.064 -4.278 -7.062 1.00 0.00 C ATOM 1063 O GLU A 161 1.176 -4.555 -6.249 1.00 0.00 O ATOM 1064 CB GLU A 161 4.551 -4.179 -6.502 1.00 0.00 C ATOM 1065 CG GLU A 161 5.743 -4.928 -5.860 1.00 0.00 C ATOM 1066 CD GLU A 161 5.468 -5.580 -4.494 1.00 0.00 C ATOM 1067 OE1 GLU A 161 4.853 -4.938 -3.616 1.00 0.00 O ATOM 1068 OE2 GLU A 161 5.876 -6.746 -4.295 1.00 0.00 O ATOM 0 H GLU A 161 4.394 -5.404 -8.811 1.00 0.00 H new ATOM 0 HA GLU A 161 3.207 -5.824 -6.193 1.00 0.00 H new ATOM 0 HB2 GLU A 161 4.917 -3.615 -7.360 1.00 0.00 H new ATOM 0 HB3 GLU A 161 4.169 -3.454 -5.784 1.00 0.00 H new ATOM 0 HG2 GLU A 161 6.075 -5.703 -6.551 1.00 0.00 H new ATOM 0 HG3 GLU A 161 6.570 -4.227 -5.747 1.00 0.00 H new ATOM 1075 N PHE A 162 1.870 -3.345 -8.026 1.00 0.00 N ATOM 1076 CA PHE A 162 0.501 -2.724 -8.219 1.00 0.00 C ATOM 1077 C PHE A 162 -0.540 -3.813 -8.631 1.00 0.00 C ATOM 1078 O PHE A 162 -1.562 -3.934 -7.947 1.00 0.00 O ATOM 1079 CB PHE A 162 0.494 -1.460 -9.141 1.00 0.00 C ATOM 1080 CG PHE A 162 -0.704 -0.447 -9.234 1.00 0.00 C ATOM 1081 CD1 PHE A 162 -2.013 -0.729 -8.784 1.00 0.00 C ATOM 1082 CD2 PHE A 162 -0.522 0.741 -9.977 1.00 0.00 C ATOM 1083 CE1 PHE A 162 -3.103 -0.006 -9.252 1.00 0.00 C ATOM 1084 CE2 PHE A 162 -1.614 1.471 -10.418 1.00 0.00 C ATOM 1085 CZ PHE A 162 -2.899 1.061 -10.109 1.00 0.00 C ATOM 0 H PHE A 162 2.593 -3.007 -8.662 1.00 0.00 H new ATOM 0 HA PHE A 162 0.192 -2.326 -7.253 1.00 0.00 H new ATOM 0 HB2 PHE A 162 1.368 -0.873 -8.859 1.00 0.00 H new ATOM 0 HB3 PHE A 162 0.666 -1.822 -10.155 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -2.169 -1.519 -8.065 1.00 0.00 H new ATOM 0 HD2 PHE A 162 0.477 1.083 -10.203 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -4.104 -0.275 -8.949 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -1.462 2.364 -11.006 1.00 0.00 H new ATOM 0 HZ PHE A 162 -3.746 1.576 -10.538 1.00 0.00 H new ATOM 1095 N LEU A 163 -0.258 -4.655 -9.650 1.00 0.00 N ATOM 1096 CA LEU A 163 -1.216 -5.710 -10.091 1.00 0.00 C ATOM 1097 C LEU A 163 -1.363 -6.899 -9.098 1.00 0.00 C ATOM 1098 O LEU A 163 -2.496 -7.273 -8.776 1.00 0.00 O ATOM 1099 CB LEU A 163 -0.880 -6.246 -11.513 1.00 0.00 C ATOM 1100 CG LEU A 163 -1.066 -5.320 -12.745 1.00 0.00 C ATOM 1101 CD1 LEU A 163 -0.197 -4.049 -12.776 1.00 0.00 C ATOM 1102 CD2 LEU A 163 -0.818 -6.121 -14.036 1.00 0.00 C ATOM 0 H LEU A 163 0.613 -4.631 -10.181 1.00 0.00 H new ATOM 0 HA LEU A 163 -2.181 -5.203 -10.116 1.00 0.00 H new ATOM 0 HB2 LEU A 163 0.161 -6.569 -11.502 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -1.488 -7.135 -11.679 1.00 0.00 H new ATOM 0 HG LEU A 163 -2.094 -4.966 -12.666 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -0.413 -3.482 -13.682 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -0.418 -3.436 -11.903 1.00 0.00 H new ATOM 0 HD13 LEU A 163 0.857 -4.328 -12.766 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -0.949 -5.469 -14.900 1.00 0.00 H new ATOM 0 HD22 LEU A 163 0.198 -6.515 -14.030 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -1.527 -6.947 -14.094 1.00 0.00 H new ATOM 1114 N ARG A 164 -0.247 -7.502 -8.647 1.00 0.00 N ATOM 1115 CA ARG A 164 -0.287 -8.676 -7.746 1.00 0.00 C ATOM 1116 C ARG A 164 -0.682 -8.393 -6.280 1.00 0.00 C ATOM 1117 O ARG A 164 -1.374 -9.239 -5.704 1.00 0.00 O ATOM 1118 CB ARG A 164 1.102 -9.310 -7.792 1.00 0.00 C ATOM 1119 CG ARG A 164 1.089 -10.739 -7.228 1.00 0.00 C ATOM 1120 CD ARG A 164 2.479 -11.394 -7.288 1.00 0.00 C ATOM 1121 NE ARG A 164 2.451 -12.807 -6.826 1.00 0.00 N ATOM 1122 CZ ARG A 164 3.518 -13.485 -6.360 1.00 0.00 C ATOM 1123 NH1 ARG A 164 4.739 -12.965 -6.235 1.00 0.00 N ATOM 1124 NH2 ARG A 164 3.343 -14.743 -6.003 1.00 0.00 N ATOM 0 H ARG A 164 0.696 -7.197 -8.890 1.00 0.00 H new ATOM 0 HA ARG A 164 -1.080 -9.330 -8.108 1.00 0.00 H new ATOM 0 HB2 ARG A 164 1.461 -9.327 -8.821 1.00 0.00 H new ATOM 0 HB3 ARG A 164 1.801 -8.699 -7.221 1.00 0.00 H new ATOM 0 HG2 ARG A 164 0.742 -10.718 -6.195 1.00 0.00 H new ATOM 0 HG3 ARG A 164 0.378 -11.344 -7.790 1.00 0.00 H new ATOM 0 HD2 ARG A 164 2.854 -11.355 -8.311 1.00 0.00 H new ATOM 0 HD3 ARG A 164 3.175 -10.825 -6.671 1.00 0.00 H new ATOM 0 HE ARG A 164 1.558 -13.299 -6.865 1.00 0.00 H new ATOM 0 HH11 ARG A 164 4.910 -11.995 -6.500 1.00 0.00 H new ATOM 0 HH12 ARG A 164 5.502 -13.537 -5.874 1.00 0.00 H new ATOM 0 HH21 ARG A 164 2.421 -15.173 -6.084 1.00 0.00 H new ATOM 0 HH22 ARG A 164 4.129 -15.286 -5.646 1.00 0.00 H new ATOM 1138 N ILE A 165 -0.280 -7.247 -5.673 1.00 0.00 N ATOM 1139 CA ILE A 165 -0.803 -6.861 -4.328 1.00 0.00 C ATOM 1140 C ILE A 165 -2.305 -6.370 -4.437 1.00 0.00 C ATOM 1141 O ILE A 165 -3.064 -6.705 -3.521 1.00 0.00 O ATOM 1142 CB ILE A 165 0.129 -5.887 -3.498 1.00 0.00 C ATOM 1143 CG1 ILE A 165 1.692 -6.115 -3.444 1.00 0.00 C ATOM 1144 CG2 ILE A 165 -0.382 -5.837 -2.032 1.00 0.00 C ATOM 1145 CD1 ILE A 165 2.291 -7.513 -3.604 1.00 0.00 C ATOM 0 H ILE A 165 0.386 -6.588 -6.076 1.00 0.00 H new ATOM 0 HA ILE A 165 -0.790 -7.768 -3.723 1.00 0.00 H new ATOM 0 HB ILE A 165 0.039 -4.965 -4.073 1.00 0.00 H new ATOM 0 HG12 ILE A 165 2.133 -5.488 -4.219 1.00 0.00 H new ATOM 0 HG13 ILE A 165 2.038 -5.727 -2.486 1.00 0.00 H new ATOM 0 HG21 ILE A 165 0.252 -5.169 -1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 165 -1.408 -5.469 -2.017 1.00 0.00 H new ATOM 0 HG23 ILE A 165 -0.349 -6.837 -1.601 1.00 0.00 H new ATOM 0 HD11 ILE A 165 3.377 -7.453 -3.536 1.00 0.00 H new ATOM 0 HD12 ILE A 165 1.913 -8.163 -2.815 1.00 0.00 H new ATOM 0 HD13 ILE A 165 2.010 -7.920 -4.575 1.00 0.00 H new ATOM 1157 N MET A 166 -2.779 -5.668 -5.511 1.00 0.00 N ATOM 1158 CA MET A 166 -4.242 -5.413 -5.726 1.00 0.00 C ATOM 1159 C MET A 166 -5.136 -6.702 -5.765 1.00 0.00 C ATOM 1160 O MET A 166 -6.171 -6.724 -5.091 1.00 0.00 O ATOM 1161 CB MET A 166 -4.457 -4.548 -6.999 1.00 0.00 C ATOM 1162 CG MET A 166 -5.867 -3.959 -7.188 1.00 0.00 C ATOM 1163 SD MET A 166 -6.228 -2.778 -5.867 1.00 0.00 S ATOM 1164 CE MET A 166 -7.810 -3.380 -5.243 1.00 0.00 C ATOM 0 H MET A 166 -2.178 -5.272 -6.234 1.00 0.00 H new ATOM 0 HA MET A 166 -4.578 -4.866 -4.845 1.00 0.00 H new ATOM 0 HB2 MET A 166 -3.742 -3.726 -6.980 1.00 0.00 H new ATOM 0 HB3 MET A 166 -4.220 -5.157 -7.871 1.00 0.00 H new ATOM 0 HG2 MET A 166 -5.937 -3.465 -8.157 1.00 0.00 H new ATOM 0 HG3 MET A 166 -6.607 -4.759 -7.184 1.00 0.00 H new ATOM 0 HE1 MET A 166 -8.146 -2.742 -4.426 1.00 0.00 H new ATOM 0 HE2 MET A 166 -8.548 -3.361 -6.045 1.00 0.00 H new ATOM 0 HE3 MET A 166 -7.693 -4.401 -4.881 1.00 0.00 H new ATOM 1174 N LYS A 167 -4.741 -7.753 -6.519 1.00 0.00 N ATOM 1175 CA LYS A 167 -5.488 -9.035 -6.576 1.00 0.00 C ATOM 1176 C LYS A 167 -5.479 -9.841 -5.256 1.00 0.00 C ATOM 1177 O LYS A 167 -6.511 -9.930 -4.585 1.00 0.00 O ATOM 1178 CB LYS A 167 -4.868 -9.858 -7.707 1.00 0.00 C ATOM 1179 CG LYS A 167 -5.756 -11.051 -8.090 1.00 0.00 C ATOM 1180 CD LYS A 167 -5.204 -11.855 -9.286 1.00 0.00 C ATOM 1181 CE LYS A 167 -6.125 -13.015 -9.712 1.00 0.00 C ATOM 1182 NZ LYS A 167 -5.566 -13.753 -10.858 1.00 0.00 N ATOM 0 H LYS A 167 -3.903 -7.740 -7.101 1.00 0.00 H new ATOM 0 HA LYS A 167 -6.540 -8.810 -6.752 1.00 0.00 H new ATOM 0 HB2 LYS A 167 -4.716 -9.222 -8.579 1.00 0.00 H new ATOM 0 HB3 LYS A 167 -3.886 -10.218 -7.400 1.00 0.00 H new ATOM 0 HG2 LYS A 167 -5.856 -11.713 -7.230 1.00 0.00 H new ATOM 0 HG3 LYS A 167 -6.755 -10.690 -8.333 1.00 0.00 H new ATOM 0 HD2 LYS A 167 -5.061 -11.183 -10.132 1.00 0.00 H new ATOM 0 HD3 LYS A 167 -4.224 -12.254 -9.026 1.00 0.00 H new ATOM 0 HE2 LYS A 167 -6.266 -13.696 -8.873 1.00 0.00 H new ATOM 0 HE3 LYS A 167 -7.108 -12.624 -9.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 167 -6.210 -14.527 -11.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 167 -5.454 -13.107 -11.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 167 -4.639 -14.147 -10.599 1.00 0.00 H new ATOM 1301 N TRP B 2 0.799 -1.679 0.898 1.00 0.00 N ATOM 1302 CA TRP B 2 0.642 -1.677 -0.587 1.00 0.00 C ATOM 1303 C TRP B 2 -0.811 -1.962 -1.087 1.00 0.00 C ATOM 1304 O TRP B 2 -1.096 -1.552 -2.207 1.00 0.00 O ATOM 1305 CB TRP B 2 1.564 -2.705 -1.279 1.00 0.00 C ATOM 1306 CG TRP B 2 3.014 -2.322 -1.535 1.00 0.00 C ATOM 1307 CD1 TRP B 2 4.081 -2.912 -0.845 1.00 0.00 C ATOM 1308 CD2 TRP B 2 3.590 -1.655 -2.619 1.00 0.00 C ATOM 1309 NE1 TRP B 2 5.302 -2.652 -1.467 1.00 0.00 N ATOM 1310 CE2 TRP B 2 4.993 -1.839 -2.540 1.00 0.00 C ATOM 1311 CE3 TRP B 2 3.025 -0.976 -3.730 1.00 0.00 C ATOM 1312 CZ2 TRP B 2 5.848 -1.300 -3.542 1.00 0.00 C ATOM 1313 CZ3 TRP B 2 3.887 -0.467 -4.708 1.00 0.00 C ATOM 1314 CH2 TRP B 2 5.271 -0.625 -4.618 1.00 0.00 C ATOM 0 HA TRP B 2 0.915 -0.657 -0.859 1.00 0.00 H new ATOM 0 HB2 TRP B 2 1.562 -3.612 -0.674 1.00 0.00 H new ATOM 0 HB3 TRP B 2 1.114 -2.961 -2.238 1.00 0.00 H new ATOM 0 HD1 TRP B 2 3.972 -3.496 0.057 1.00 0.00 H new ATOM 0 HE1 TRP B 2 6.224 -2.989 -1.190 1.00 0.00 H new ATOM 0 HE3 TRP B 2 1.955 -0.855 -3.819 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 6.920 -1.411 -3.471 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 3.471 0.061 -5.553 1.00 0.00 H new ATOM 0 HH2 TRP B 2 5.904 -0.219 -5.393 1.00 0.00 H new ATOM 1325 N LYS B 3 -1.699 -2.662 -0.342 1.00 0.00 N ATOM 1326 CA LYS B 3 -3.145 -2.757 -0.686 1.00 0.00 C ATOM 1327 C LYS B 3 -3.913 -1.405 -0.578 1.00 0.00 C ATOM 1328 O LYS B 3 -4.680 -1.080 -1.488 1.00 0.00 O ATOM 1329 CB LYS B 3 -3.777 -3.805 0.234 1.00 0.00 C ATOM 1330 CG LYS B 3 -5.242 -4.078 -0.143 1.00 0.00 C ATOM 1331 CD LYS B 3 -5.869 -5.260 0.632 1.00 0.00 C ATOM 1332 CE LYS B 3 -7.373 -5.495 0.377 1.00 0.00 C ATOM 1333 NZ LYS B 3 -7.677 -5.932 -1.000 1.00 0.00 N ATOM 0 H LYS B 3 -1.442 -3.172 0.504 1.00 0.00 H new ATOM 0 HA LYS B 3 -3.221 -3.044 -1.735 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -3.207 -4.732 0.176 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -3.724 -3.462 1.267 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -5.830 -3.179 0.043 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -5.302 -4.282 -1.212 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -5.327 -6.170 0.374 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -5.720 -5.093 1.699 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -7.739 -6.246 1.077 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -7.917 -4.574 0.585 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -8.703 -6.071 -1.102 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -7.358 -5.206 -1.673 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -7.185 -6.827 -1.197 1.00 0.00 H new ATOM 1347 N LEU B 4 -3.697 -0.620 0.503 1.00 0.00 N ATOM 1348 CA LEU B 4 -4.189 0.790 0.602 1.00 0.00 C ATOM 1349 C LEU B 4 -3.631 1.739 -0.517 1.00 0.00 C ATOM 1350 O LEU B 4 -4.412 2.474 -1.127 1.00 0.00 O ATOM 1351 CB LEU B 4 -3.906 1.313 2.042 1.00 0.00 C ATOM 1352 CG LEU B 4 -4.487 2.707 2.422 1.00 0.00 C ATOM 1353 CD1 LEU B 4 -6.030 2.747 2.412 1.00 0.00 C ATOM 1354 CD2 LEU B 4 -3.958 3.158 3.799 1.00 0.00 C ATOM 0 H LEU B 4 -3.184 -0.934 1.327 1.00 0.00 H new ATOM 0 HA LEU B 4 -5.264 0.792 0.422 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -4.295 0.581 2.749 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -2.826 1.348 2.182 1.00 0.00 H new ATOM 0 HG LEU B 4 -4.147 3.399 1.652 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -6.370 3.746 2.685 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -6.394 2.500 1.415 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -6.417 2.023 3.129 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -4.375 4.134 4.047 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -4.254 2.433 4.558 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -2.871 3.226 3.767 1.00 0.00 H new ATOM 1366 N LEU B 5 -2.310 1.690 -0.801 1.00 0.00 N ATOM 1367 CA LEU B 5 -1.688 2.352 -1.988 1.00 0.00 C ATOM 1368 C LEU B 5 -2.176 1.785 -3.365 1.00 0.00 C ATOM 1369 O LEU B 5 -2.230 2.549 -4.325 1.00 0.00 O ATOM 1370 CB LEU B 5 -0.133 2.266 -1.833 1.00 0.00 C ATOM 1371 CG LEU B 5 0.813 3.203 -2.648 1.00 0.00 C ATOM 1372 CD1 LEU B 5 0.922 2.905 -4.158 1.00 0.00 C ATOM 1373 CD2 LEU B 5 0.551 4.702 -2.410 1.00 0.00 C ATOM 0 H LEU B 5 -1.638 1.192 -0.218 1.00 0.00 H new ATOM 0 HA LEU B 5 -2.010 3.393 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU B 5 0.091 2.426 -0.778 1.00 0.00 H new ATOM 0 HB3 LEU B 5 0.154 1.241 -2.068 1.00 0.00 H new ATOM 0 HG LEU B 5 1.789 2.954 -2.230 1.00 0.00 H new ATOM 0 HD11 LEU B 5 1.605 3.617 -4.621 1.00 0.00 H new ATOM 0 HD12 LEU B 5 1.300 1.893 -4.303 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -0.062 2.994 -4.618 1.00 0.00 H new ATOM 0 HD21 LEU B 5 1.245 5.292 -3.009 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -0.472 4.943 -2.698 1.00 0.00 H new ATOM 0 HD23 LEU B 5 0.695 4.933 -1.355 1.00 0.00 H new ATOM 1385 N ALA B 6 -2.543 0.490 -3.473 1.00 0.00 N ATOM 1386 CA ALA B 6 -3.116 -0.123 -4.694 1.00 0.00 C ATOM 1387 C ALA B 6 -4.551 0.338 -5.042 1.00 0.00 C ATOM 1388 O ALA B 6 -4.814 0.457 -6.233 1.00 0.00 O ATOM 1389 CB ALA B 6 -3.043 -1.656 -4.618 1.00 0.00 C ATOM 0 H ALA B 6 -2.448 -0.171 -2.702 1.00 0.00 H new ATOM 0 HA ALA B 6 -2.493 0.238 -5.513 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -3.469 -2.086 -5.525 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -2.002 -1.966 -4.523 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -3.606 -2.005 -3.752 1.00 0.00 H new ATOM 1395 N LYS B 7 -5.464 0.575 -4.072 1.00 0.00 N ATOM 1396 CA LYS B 7 -6.757 1.276 -4.337 1.00 0.00 C ATOM 1397 C LYS B 7 -6.561 2.786 -4.691 1.00 0.00 C ATOM 1398 O LYS B 7 -7.014 3.284 -5.742 1.00 0.00 O ATOM 1399 CB LYS B 7 -7.615 1.134 -3.079 1.00 0.00 C ATOM 1400 CG LYS B 7 -9.057 1.598 -3.327 1.00 0.00 C ATOM 1401 CD LYS B 7 -9.981 1.370 -2.114 1.00 0.00 C ATOM 1402 CE LYS B 7 -11.432 1.816 -2.376 1.00 0.00 C ATOM 1403 NZ LYS B 7 -12.292 1.578 -1.203 1.00 0.00 N ATOM 0 H LYS B 7 -5.337 0.295 -3.100 1.00 0.00 H new ATOM 0 HA LYS B 7 -7.238 0.823 -5.204 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -7.617 0.094 -2.754 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -7.177 1.719 -2.271 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -9.053 2.658 -3.579 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -9.461 1.067 -4.189 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -9.973 0.312 -1.851 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -9.588 1.915 -1.256 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -11.447 2.876 -2.630 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -11.830 1.276 -3.235 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -13.261 1.890 -1.414 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -12.296 0.563 -0.976 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -11.926 2.113 -0.390 1.00 0.00 H new ATOM 1417 N GLY B 8 -5.807 3.478 -3.803 1.00 0.00 N ATOM 1418 CA GLY B 8 -5.285 4.839 -4.056 1.00 0.00 C ATOM 1419 C GLY B 8 -4.649 5.097 -5.443 1.00 0.00 C ATOM 1420 O GLY B 8 -4.865 6.184 -5.977 1.00 0.00 O ATOM 0 H GLY B 8 -5.544 3.106 -2.890 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -6.103 5.547 -3.921 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.539 5.064 -3.293 1.00 0.00 H new ATOM 1424 N LEU B 9 -3.884 4.128 -6.008 1.00 0.00 N ATOM 1425 CA LEU B 9 -3.465 4.171 -7.435 1.00 0.00 C ATOM 1426 C LEU B 9 -4.388 3.401 -8.444 1.00 0.00 C ATOM 1427 O LEU B 9 -4.249 3.641 -9.645 1.00 0.00 O ATOM 1428 CB LEU B 9 -1.959 3.884 -7.637 1.00 0.00 C ATOM 1429 CG LEU B 9 -1.111 5.069 -8.214 1.00 0.00 C ATOM 1430 CD1 LEU B 9 -0.184 4.639 -9.359 1.00 0.00 C ATOM 1431 CD2 LEU B 9 -1.753 6.300 -8.887 1.00 0.00 C ATOM 0 H LEU B 9 -3.546 3.310 -5.501 1.00 0.00 H new ATOM 0 HA LEU B 9 -3.619 5.215 -7.710 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.533 3.590 -6.678 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.858 3.030 -8.306 1.00 0.00 H new ATOM 0 HG LEU B 9 -0.692 5.352 -7.248 1.00 0.00 H new ATOM 0 HD11 LEU B 9 0.377 5.502 -9.717 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.510 3.879 -9.000 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.779 4.230 -10.175 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -0.971 6.988 -9.208 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.333 5.980 -9.753 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -2.409 6.802 -8.176 1.00 0.00 H new ATOM 1443 N LEU B 10 -5.351 2.559 -8.010 1.00 0.00 N ATOM 1444 CA LEU B 10 -6.501 2.050 -8.849 1.00 0.00 C ATOM 1445 C LEU B 10 -7.372 3.231 -9.420 1.00 0.00 C ATOM 1446 O LEU B 10 -8.097 3.027 -10.393 1.00 0.00 O ATOM 1447 CB LEU B 10 -7.355 0.969 -8.126 1.00 0.00 C ATOM 1448 CG LEU B 10 -8.427 0.218 -8.983 1.00 0.00 C ATOM 1449 CD1 LEU B 10 -8.453 -1.294 -8.685 1.00 0.00 C ATOM 1450 CD2 LEU B 10 -9.847 0.796 -8.796 1.00 0.00 C ATOM 0 H LEU B 10 -5.368 2.198 -7.056 1.00 0.00 H new ATOM 0 HA LEU B 10 -6.057 1.540 -9.704 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -6.676 0.226 -7.706 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -7.864 1.445 -7.288 1.00 0.00 H new ATOM 0 HG LEU B 10 -8.125 0.370 -10.019 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -9.212 -1.774 -9.303 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -7.477 -1.726 -8.908 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -8.688 -1.453 -7.633 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -10.551 0.238 -9.413 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -10.138 0.714 -7.749 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -9.855 1.845 -9.094 1.00 0.00 H new ATOM 1462 N ILE B 11 -7.242 4.451 -8.850 1.00 0.00 N ATOM 1463 CA ILE B 11 -7.627 5.770 -9.467 1.00 0.00 C ATOM 1464 C ILE B 11 -7.381 5.981 -11.024 1.00 0.00 C ATOM 1465 O ILE B 11 -7.784 7.020 -11.553 1.00 0.00 O ATOM 1466 CB ILE B 11 -6.692 6.824 -8.708 1.00 0.00 C ATOM 1467 CG1 ILE B 11 -7.124 8.317 -8.798 1.00 0.00 C ATOM 1468 CG2 ILE B 11 -5.168 6.729 -9.102 1.00 0.00 C ATOM 1469 CD1 ILE B 11 -8.496 8.644 -8.190 1.00 0.00 C ATOM 0 H ILE B 11 -6.853 4.563 -7.914 1.00 0.00 H new ATOM 0 HA ILE B 11 -8.708 5.862 -9.364 1.00 0.00 H new ATOM 0 HB ILE B 11 -6.830 6.507 -7.674 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -6.370 8.926 -8.300 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -7.131 8.613 -9.847 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.601 7.475 -8.545 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -4.792 5.734 -8.863 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -5.056 6.912 -10.171 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -8.701 9.708 -8.305 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -9.267 8.069 -8.702 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -8.495 8.387 -7.131 1.00 0.00 H new ATOM 1481 N ARG B 12 -6.643 5.057 -11.691 1.00 0.00 N ATOM 1482 CA ARG B 12 -6.076 5.202 -13.070 1.00 0.00 C ATOM 1483 C ARG B 12 -6.895 5.976 -14.157 1.00 0.00 C ATOM 1484 O ARG B 12 -6.341 6.817 -14.871 1.00 0.00 O ATOM 1485 CB ARG B 12 -5.615 3.801 -13.583 1.00 0.00 C ATOM 1486 CG ARG B 12 -6.580 2.804 -14.288 1.00 0.00 C ATOM 1487 CD ARG B 12 -7.592 2.003 -13.439 1.00 0.00 C ATOM 1488 NE ARG B 12 -8.902 2.682 -13.244 1.00 0.00 N ATOM 1489 CZ ARG B 12 -10.014 2.079 -12.780 1.00 0.00 C ATOM 1490 NH1 ARG B 12 -10.087 0.784 -12.478 1.00 0.00 N ATOM 1491 NH2 ARG B 12 -11.096 2.815 -12.611 1.00 0.00 N ATOM 0 H ARG B 12 -6.414 4.155 -11.274 1.00 0.00 H new ATOM 0 HA ARG B 12 -5.242 5.889 -12.929 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -4.792 3.979 -14.275 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -5.200 3.276 -12.723 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -7.147 3.366 -15.030 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -5.968 2.085 -14.833 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -7.764 1.038 -13.915 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -7.151 1.803 -12.462 1.00 0.00 H new ATOM 0 HE ARG B 12 -8.962 3.673 -13.478 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -9.269 0.186 -12.594 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -10.961 0.390 -12.130 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -11.075 3.811 -12.830 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -11.954 2.388 -12.261 1.00 0.00 H new