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= 0.0563 K(o=0.056,f=-1.4!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.346) USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) 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) 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 -5.378 -2.342 -15.303 1.00 0.00 N ATOM 200 CA ILE A 106 -4.416 -2.423 -14.146 1.00 0.00 C ATOM 201 C ILE A 106 -2.905 -2.326 -14.570 1.00 0.00 C ATOM 202 O ILE A 106 -2.140 -1.676 -13.844 1.00 0.00 O ATOM 203 CB ILE A 106 -4.705 -3.625 -13.170 1.00 0.00 C ATOM 204 CG1 ILE A 106 -4.774 -5.024 -13.846 1.00 0.00 C ATOM 205 CG2 ILE A 106 -5.954 -3.325 -12.294 1.00 0.00 C ATOM 206 CD1 ILE A 106 -5.051 -6.230 -12.931 1.00 0.00 C ATOM 0 HA ILE A 106 -4.610 -1.522 -13.565 1.00 0.00 H new ATOM 0 HB ILE A 106 -3.830 -3.699 -12.524 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -5.551 -4.993 -14.610 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.829 -5.199 -14.360 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -6.140 -4.166 -11.625 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -5.778 -2.425 -11.705 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.821 -3.174 -12.937 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.073 -7.142 -13.528 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -4.264 -6.306 -12.181 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.013 -6.097 -12.435 1.00 0.00 H new ATOM 218 N LEU A 107 -2.461 -2.885 -15.727 1.00 0.00 N ATOM 219 CA LEU A 107 -1.100 -2.586 -16.275 1.00 0.00 C ATOM 220 C LEU A 107 -0.952 -1.101 -16.755 1.00 0.00 C ATOM 221 O LEU A 107 0.098 -0.507 -16.514 1.00 0.00 O ATOM 222 CB LEU A 107 -0.662 -3.563 -17.397 1.00 0.00 C ATOM 223 CG LEU A 107 0.881 -3.549 -17.636 1.00 0.00 C ATOM 224 CD1 LEU A 107 1.623 -4.570 -16.756 1.00 0.00 C ATOM 225 CD2 LEU A 107 1.252 -3.690 -19.116 1.00 0.00 C ATOM 0 H LEU A 107 -3.009 -3.533 -16.293 1.00 0.00 H new ATOM 0 HA LEU A 107 -0.425 -2.735 -15.433 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.977 -4.574 -17.137 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.172 -3.299 -18.323 1.00 0.00 H new ATOM 0 HG LEU A 107 1.222 -2.561 -17.325 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.692 -4.519 -16.962 1.00 0.00 H new ATOM 0 HD12 LEU A 107 1.444 -4.342 -15.705 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.259 -5.573 -16.977 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.337 -3.674 -19.222 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.864 -4.633 -19.500 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.820 -2.863 -19.680 1.00 0.00 H new ATOM 237 N LYS A 108 -1.974 -0.506 -17.412 1.00 0.00 N ATOM 238 CA LYS A 108 -2.041 0.960 -17.675 1.00 0.00 C ATOM 239 C LYS A 108 -1.892 1.869 -16.417 1.00 0.00 C ATOM 240 O LYS A 108 -1.250 2.913 -16.500 1.00 0.00 O ATOM 241 CB LYS A 108 -3.413 1.201 -18.329 1.00 0.00 C ATOM 242 CG LYS A 108 -3.722 2.655 -18.740 1.00 0.00 C ATOM 243 CD LYS A 108 -5.231 2.989 -18.837 1.00 0.00 C ATOM 244 CE LYS A 108 -6.079 2.232 -19.886 1.00 0.00 C ATOM 245 NZ LYS A 108 -5.722 2.574 -21.276 1.00 0.00 N ATOM 0 H LYS A 108 -2.775 -1.022 -17.776 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.194 1.235 -18.304 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.486 0.571 -19.215 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.186 0.868 -17.637 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.259 3.329 -18.019 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.256 2.853 -19.705 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -5.675 2.811 -17.858 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -5.324 4.056 -19.040 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -5.955 1.159 -19.739 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -7.133 2.456 -19.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -6.324 2.036 -21.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -5.866 3.592 -21.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -4.724 2.335 -21.447 1.00 0.00 H new ATOM 259 N ALA A 109 -2.460 1.437 -15.274 1.00 0.00 N ATOM 260 CA ALA A 109 -2.235 2.031 -13.932 1.00 0.00 C ATOM 261 C ALA A 109 -0.746 1.986 -13.433 1.00 0.00 C ATOM 262 O ALA A 109 -0.188 3.003 -12.991 1.00 0.00 O ATOM 263 CB ALA A 109 -3.250 1.344 -13.006 1.00 0.00 C ATOM 0 H ALA A 109 -3.104 0.647 -15.253 1.00 0.00 H new ATOM 0 HA ALA A 109 -2.402 3.108 -13.952 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.142 1.734 -11.994 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -4.260 1.540 -13.364 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.069 0.269 -13.002 1.00 0.00 H new ATOM 269 N PHE A 110 -0.075 0.815 -13.541 1.00 0.00 N ATOM 270 CA PHE A 110 1.415 0.719 -13.390 1.00 0.00 C ATOM 271 C PHE A 110 2.155 1.681 -14.415 1.00 0.00 C ATOM 272 O PHE A 110 3.167 2.273 -14.040 1.00 0.00 O ATOM 273 CB PHE A 110 1.771 -0.787 -13.453 1.00 0.00 C ATOM 274 CG PHE A 110 3.268 -1.164 -13.440 1.00 0.00 C ATOM 275 CD1 PHE A 110 4.039 -1.105 -14.608 1.00 0.00 C ATOM 276 CD2 PHE A 110 3.890 -1.485 -12.232 1.00 0.00 C ATOM 277 CE1 PHE A 110 5.425 -1.260 -14.542 1.00 0.00 C ATOM 278 CE2 PHE A 110 5.282 -1.573 -12.158 1.00 0.00 C ATOM 279 CZ PHE A 110 6.044 -1.474 -13.317 1.00 0.00 C ATOM 0 H PHE A 110 -0.530 -0.078 -13.731 1.00 0.00 H new ATOM 0 HA PHE A 110 1.777 1.088 -12.431 1.00 0.00 H new ATOM 0 HB2 PHE A 110 1.292 -1.282 -12.609 1.00 0.00 H new ATOM 0 HB3 PHE A 110 1.327 -1.200 -14.359 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.560 -0.939 -15.562 1.00 0.00 H new ATOM 0 HD2 PHE A 110 3.292 -1.666 -11.351 1.00 0.00 H new ATOM 0 HE1 PHE A 110 6.017 -1.213 -15.444 1.00 0.00 H new ATOM 0 HE2 PHE A 110 5.765 -1.718 -11.203 1.00 0.00 H new ATOM 0 HZ PHE A 110 7.119 -1.564 -13.265 1.00 0.00 H new ATOM 289 N LYS A 111 1.623 1.882 -15.652 1.00 0.00 N ATOM 290 CA LYS A 111 2.026 2.972 -16.591 1.00 0.00 C ATOM 291 C LYS A 111 1.922 4.413 -15.981 1.00 0.00 C ATOM 292 O LYS A 111 2.847 5.200 -16.191 1.00 0.00 O ATOM 293 CB LYS A 111 1.145 2.918 -17.853 1.00 0.00 C ATOM 294 CG LYS A 111 1.377 1.675 -18.739 1.00 0.00 C ATOM 295 CD LYS A 111 2.715 1.633 -19.512 1.00 0.00 C ATOM 296 CE LYS A 111 2.788 2.575 -20.734 1.00 0.00 C ATOM 297 NZ LYS A 111 4.075 2.445 -21.440 1.00 0.00 N ATOM 0 H LYS A 111 0.890 1.283 -16.033 1.00 0.00 H new ATOM 0 HA LYS A 111 3.077 2.794 -16.820 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.098 2.944 -17.552 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.328 3.813 -18.448 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.317 0.788 -18.109 1.00 0.00 H new ATOM 0 HG3 LYS A 111 0.562 1.610 -19.460 1.00 0.00 H new ATOM 0 HD2 LYS A 111 3.523 1.888 -18.826 1.00 0.00 H new ATOM 0 HD3 LYS A 111 2.892 0.611 -19.848 1.00 0.00 H new ATOM 0 HE2 LYS A 111 1.971 2.348 -21.419 1.00 0.00 H new ATOM 0 HE3 LYS A 111 2.653 3.606 -20.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 4.091 3.091 -22.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 4.852 2.686 -20.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 4.192 1.466 -21.772 1.00 0.00 H new ATOM 311 N LEU A 112 0.844 4.752 -15.214 1.00 0.00 N ATOM 312 CA LEU A 112 0.791 5.988 -14.357 1.00 0.00 C ATOM 313 C LEU A 112 2.002 6.081 -13.386 1.00 0.00 C ATOM 314 O LEU A 112 2.553 7.184 -13.293 1.00 0.00 O ATOM 315 CB LEU A 112 -0.557 6.218 -13.585 1.00 0.00 C ATOM 316 CG LEU A 112 -1.705 6.719 -14.518 1.00 0.00 C ATOM 317 CD1 LEU A 112 -2.776 5.658 -14.801 1.00 0.00 C ATOM 318 CD2 LEU A 112 -2.363 8.011 -13.993 1.00 0.00 C ATOM 0 H LEU A 112 -0.005 4.188 -15.168 1.00 0.00 H new ATOM 0 HA LEU A 112 0.850 6.802 -15.080 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.862 5.287 -13.108 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.396 6.946 -12.790 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.214 6.939 -15.466 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.540 6.078 -15.455 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.316 4.797 -15.286 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -3.234 5.344 -13.863 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.155 8.319 -14.676 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.786 7.828 -13.005 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.614 8.800 -13.926 1.00 0.00 H new ATOM 330 N PHE A 113 2.473 4.984 -12.729 1.00 0.00 N ATOM 331 CA PHE A 113 3.805 5.038 -12.042 1.00 0.00 C ATOM 332 C PHE A 113 4.988 5.438 -13.007 1.00 0.00 C ATOM 333 O PHE A 113 5.780 6.308 -12.654 1.00 0.00 O ATOM 334 CB PHE A 113 4.328 3.770 -11.304 1.00 0.00 C ATOM 335 CG PHE A 113 3.568 2.818 -10.358 1.00 0.00 C ATOM 336 CD1 PHE A 113 3.292 3.196 -9.034 1.00 0.00 C ATOM 337 CD2 PHE A 113 3.768 1.459 -10.644 1.00 0.00 C ATOM 338 CE1 PHE A 113 3.271 2.224 -8.026 1.00 0.00 C ATOM 339 CE2 PHE A 113 3.812 0.515 -9.623 1.00 0.00 C ATOM 340 CZ PHE A 113 3.514 0.895 -8.335 1.00 0.00 C ATOM 0 H PHE A 113 1.983 4.092 -12.658 1.00 0.00 H new ATOM 0 HA PHE A 113 3.557 5.789 -11.292 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.718 3.128 -12.094 1.00 0.00 H new ATOM 0 HB3 PHE A 113 5.183 4.117 -10.724 1.00 0.00 H new ATOM 0 HD1 PHE A 113 3.097 4.231 -8.794 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.889 1.142 -11.669 1.00 0.00 H new ATOM 0 HE1 PHE A 113 3.065 2.511 -7.005 1.00 0.00 H new ATOM 0 HE2 PHE A 113 4.078 -0.509 -9.840 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.469 0.149 -7.555 1.00 0.00 H new ATOM 350 N ASP A 114 5.101 4.808 -14.194 1.00 0.00 N ATOM 351 CA ASP A 114 6.273 4.875 -15.098 1.00 0.00 C ATOM 352 C ASP A 114 6.533 6.200 -15.914 1.00 0.00 C ATOM 353 O ASP A 114 6.898 6.151 -17.092 1.00 0.00 O ATOM 354 CB ASP A 114 6.040 3.587 -15.955 1.00 0.00 C ATOM 355 CG ASP A 114 6.474 2.240 -15.325 1.00 0.00 C ATOM 356 OD1 ASP A 114 5.980 1.888 -14.232 1.00 0.00 O ATOM 357 OD2 ASP A 114 7.305 1.526 -15.928 1.00 0.00 O ATOM 0 H ASP A 114 4.356 4.218 -14.564 1.00 0.00 H new ATOM 0 HA ASP A 114 7.213 4.910 -14.547 1.00 0.00 H new ATOM 0 HB2 ASP A 114 4.978 3.524 -16.192 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.571 3.707 -16.899 1.00 0.00 H new ATOM 422 N LYS A 120 10.326 -0.402 -14.428 1.00 0.00 N ATOM 423 CA LYS A 120 10.374 -0.652 -12.967 1.00 0.00 C ATOM 424 C LYS A 120 10.575 0.681 -12.207 1.00 0.00 C ATOM 425 O LYS A 120 11.395 1.509 -12.620 1.00 0.00 O ATOM 426 CB LYS A 120 11.556 -1.573 -12.623 1.00 0.00 C ATOM 427 CG LYS A 120 11.559 -2.940 -13.340 1.00 0.00 C ATOM 428 CD LYS A 120 12.667 -3.884 -12.818 1.00 0.00 C ATOM 429 CE LYS A 120 12.723 -5.278 -13.480 1.00 0.00 C ATOM 430 NZ LYS A 120 13.184 -5.240 -14.883 1.00 0.00 N ATOM 0 HA LYS A 120 9.434 -1.120 -12.674 1.00 0.00 H new ATOM 0 HB2 LYS A 120 12.483 -1.053 -12.865 1.00 0.00 H new ATOM 0 HB3 LYS A 120 11.559 -1.746 -11.547 1.00 0.00 H new ATOM 0 HG2 LYS A 120 10.588 -3.417 -13.208 1.00 0.00 H new ATOM 0 HG3 LYS A 120 11.694 -2.784 -14.410 1.00 0.00 H new ATOM 0 HD2 LYS A 120 13.631 -3.396 -12.959 1.00 0.00 H new ATOM 0 HD3 LYS A 120 12.531 -4.017 -11.745 1.00 0.00 H new ATOM 0 HE2 LYS A 120 13.389 -5.920 -12.903 1.00 0.00 H new ATOM 0 HE3 LYS A 120 11.732 -5.731 -13.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 13.199 -6.205 -15.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 12.536 -4.652 -15.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 14.141 -4.836 -14.923 1.00 0.00 H new ATOM 444 N ILE A 121 9.850 0.874 -11.083 1.00 0.00 N ATOM 445 CA ILE A 121 9.770 2.208 -10.401 1.00 0.00 C ATOM 446 C ILE A 121 10.401 2.291 -8.970 1.00 0.00 C ATOM 447 O ILE A 121 10.726 1.287 -8.330 1.00 0.00 O ATOM 448 CB ILE A 121 8.291 2.753 -10.438 1.00 0.00 C ATOM 449 CG1 ILE A 121 7.123 1.876 -9.929 1.00 0.00 C ATOM 450 CG2 ILE A 121 7.973 3.290 -11.848 1.00 0.00 C ATOM 451 CD1 ILE A 121 7.236 1.463 -8.474 1.00 0.00 C ATOM 0 H ILE A 121 9.313 0.138 -10.624 1.00 0.00 H new ATOM 0 HA ILE A 121 10.415 2.865 -10.984 1.00 0.00 H new ATOM 0 HB ILE A 121 8.323 3.525 -9.669 1.00 0.00 H new ATOM 0 HG12 ILE A 121 6.189 2.420 -10.068 1.00 0.00 H new ATOM 0 HG13 ILE A 121 7.063 0.979 -10.545 1.00 0.00 H new ATOM 0 HG21 ILE A 121 6.950 3.666 -11.872 1.00 0.00 H new ATOM 0 HG22 ILE A 121 8.663 4.097 -12.094 1.00 0.00 H new ATOM 0 HG23 ILE A 121 8.081 2.486 -12.576 1.00 0.00 H new ATOM 0 HD11 ILE A 121 6.376 0.851 -8.202 1.00 0.00 H new ATOM 0 HD12 ILE A 121 8.151 0.888 -8.329 1.00 0.00 H new ATOM 0 HD13 ILE A 121 7.263 2.352 -7.844 1.00 0.00 H new ATOM 463 N SER A 122 10.536 3.549 -8.495 1.00 0.00 N ATOM 464 CA SER A 122 11.006 3.900 -7.129 1.00 0.00 C ATOM 465 C SER A 122 9.873 4.531 -6.245 1.00 0.00 C ATOM 466 O SER A 122 8.773 4.843 -6.714 1.00 0.00 O ATOM 467 CB SER A 122 12.246 4.813 -7.319 1.00 0.00 C ATOM 468 OG SER A 122 12.933 5.032 -6.093 1.00 0.00 O ATOM 0 H SER A 122 10.317 4.369 -9.060 1.00 0.00 H new ATOM 0 HA SER A 122 11.288 3.011 -6.565 1.00 0.00 H new ATOM 0 HB2 SER A 122 12.925 4.358 -8.040 1.00 0.00 H new ATOM 0 HB3 SER A 122 11.932 5.770 -7.736 1.00 0.00 H new ATOM 0 HG SER A 122 13.709 5.610 -6.251 1.00 0.00 H new ATOM 474 N PHE A 123 10.199 4.718 -4.945 1.00 0.00 N ATOM 475 CA PHE A 123 9.417 5.486 -3.915 1.00 0.00 C ATOM 476 C PHE A 123 8.553 6.702 -4.391 1.00 0.00 C ATOM 477 O PHE A 123 7.352 6.800 -4.096 1.00 0.00 O ATOM 478 CB PHE A 123 10.484 5.874 -2.829 1.00 0.00 C ATOM 479 CG PHE A 123 10.016 6.728 -1.633 1.00 0.00 C ATOM 480 CD1 PHE A 123 9.881 8.117 -1.775 1.00 0.00 C ATOM 481 CD2 PHE A 123 9.628 6.125 -0.433 1.00 0.00 C ATOM 482 CE1 PHE A 123 9.243 8.866 -0.795 1.00 0.00 C ATOM 483 CE2 PHE A 123 9.039 6.889 0.571 1.00 0.00 C ATOM 484 CZ PHE A 123 8.792 8.246 0.365 1.00 0.00 C ATOM 0 H PHE A 123 11.054 4.323 -4.554 1.00 0.00 H new ATOM 0 HA PHE A 123 8.613 4.849 -3.546 1.00 0.00 H new ATOM 0 HB2 PHE A 123 10.911 4.952 -2.435 1.00 0.00 H new ATOM 0 HB3 PHE A 123 11.290 6.411 -3.329 1.00 0.00 H new ATOM 0 HD1 PHE A 123 10.276 8.607 -2.653 1.00 0.00 H new ATOM 0 HD2 PHE A 123 9.785 5.067 -0.285 1.00 0.00 H new ATOM 0 HE1 PHE A 123 9.098 9.927 -0.933 1.00 0.00 H new ATOM 0 HE2 PHE A 123 8.773 6.430 1.511 1.00 0.00 H new ATOM 0 HZ PHE A 123 8.251 8.815 1.106 1.00 0.00 H new ATOM 494 N LYS A 124 9.219 7.639 -5.088 1.00 0.00 N ATOM 495 CA LYS A 124 8.567 8.890 -5.571 1.00 0.00 C ATOM 496 C LYS A 124 7.451 8.670 -6.609 1.00 0.00 C ATOM 497 O LYS A 124 6.422 9.335 -6.504 1.00 0.00 O ATOM 498 CB LYS A 124 9.515 9.946 -6.163 1.00 0.00 C ATOM 499 CG LYS A 124 10.386 10.594 -5.080 1.00 0.00 C ATOM 500 CD LYS A 124 11.181 11.811 -5.591 1.00 0.00 C ATOM 501 CE LYS A 124 12.103 12.375 -4.500 1.00 0.00 C ATOM 502 NZ LYS A 124 12.848 13.557 -4.968 1.00 0.00 N ATOM 0 H LYS A 124 10.206 7.563 -5.334 1.00 0.00 H new ATOM 0 HA LYS A 124 8.149 9.265 -4.637 1.00 0.00 H new ATOM 0 HB2 LYS A 124 10.154 9.482 -6.915 1.00 0.00 H new ATOM 0 HB3 LYS A 124 8.932 10.715 -6.670 1.00 0.00 H new ATOM 0 HG2 LYS A 124 9.752 10.905 -4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 124 11.082 9.851 -4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 124 11.775 11.522 -6.458 1.00 0.00 H new ATOM 0 HD3 LYS A 124 10.490 12.586 -5.922 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.510 12.642 -3.626 1.00 0.00 H new ATOM 0 HE3 LYS A 124 12.806 11.604 -4.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 13.459 13.908 -4.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 13.434 13.296 -5.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 12.178 14.302 -5.245 1.00 0.00 H new ATOM 516 N ASN A 125 7.609 7.730 -7.559 1.00 0.00 N ATOM 517 CA ASN A 125 6.526 7.388 -8.541 1.00 0.00 C ATOM 518 C ASN A 125 5.158 6.968 -7.872 1.00 0.00 C ATOM 519 O ASN A 125 4.114 7.552 -8.236 1.00 0.00 O ATOM 520 CB ASN A 125 7.011 6.365 -9.611 1.00 0.00 C ATOM 521 CG ASN A 125 8.334 6.691 -10.355 1.00 0.00 C ATOM 522 OD1 ASN A 125 9.409 6.251 -9.945 1.00 0.00 O ATOM 523 ND2 ASN A 125 8.301 7.459 -11.437 1.00 0.00 N ATOM 0 H ASN A 125 8.465 7.189 -7.679 1.00 0.00 H new ATOM 0 HA ASN A 125 6.303 8.318 -9.064 1.00 0.00 H new ATOM 0 HB2 ASN A 125 7.127 5.396 -9.125 1.00 0.00 H new ATOM 0 HB3 ASN A 125 6.223 6.256 -10.356 1.00 0.00 H new ATOM 0 HD21 ASN A 125 9.166 7.685 -11.929 1.00 0.00 H new ATOM 0 HD22 ASN A 125 7.411 7.823 -11.777 1.00 0.00 H new ATOM 530 N LEU A 126 5.222 6.053 -6.842 1.00 0.00 N ATOM 531 CA LEU A 126 4.099 5.711 -5.907 1.00 0.00 C ATOM 532 C LEU A 126 3.439 7.026 -5.373 1.00 0.00 C ATOM 533 O LEU A 126 2.309 7.341 -5.755 1.00 0.00 O ATOM 534 CB LEU A 126 4.547 4.875 -4.647 1.00 0.00 C ATOM 535 CG LEU A 126 4.996 3.394 -4.692 1.00 0.00 C ATOM 536 CD1 LEU A 126 6.314 3.159 -5.440 1.00 0.00 C ATOM 537 CD2 LEU A 126 5.142 2.854 -3.251 1.00 0.00 C ATOM 0 H LEU A 126 6.072 5.527 -6.640 1.00 0.00 H new ATOM 0 HA LEU A 126 3.409 5.103 -6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.372 5.427 -4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.714 4.917 -3.945 1.00 0.00 H new ATOM 0 HG LEU A 126 4.221 2.864 -5.245 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.556 2.096 -5.425 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.211 3.493 -6.472 1.00 0.00 H new ATOM 0 HD13 LEU A 126 7.113 3.720 -4.955 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.458 1.811 -3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 126 5.887 3.443 -2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.184 2.927 -2.736 1.00 0.00 H new ATOM 549 N LYS A 127 4.218 7.813 -4.593 1.00 0.00 N ATOM 550 CA LYS A 127 3.832 9.158 -4.130 1.00 0.00 C ATOM 551 C LYS A 127 3.430 10.252 -5.157 1.00 0.00 C ATOM 552 O LYS A 127 2.874 11.272 -4.757 1.00 0.00 O ATOM 553 CB LYS A 127 5.111 9.667 -3.484 1.00 0.00 C ATOM 554 CG LYS A 127 4.829 10.713 -2.380 1.00 0.00 C ATOM 555 CD LYS A 127 6.124 11.224 -1.719 1.00 0.00 C ATOM 556 CE LYS A 127 5.871 12.228 -0.579 1.00 0.00 C ATOM 557 NZ LYS A 127 7.132 12.683 0.030 1.00 0.00 N ATOM 0 H LYS A 127 5.140 7.525 -4.267 1.00 0.00 H new ATOM 0 HA LYS A 127 2.926 9.022 -3.539 1.00 0.00 H new ATOM 0 HB2 LYS A 127 5.659 8.828 -3.056 1.00 0.00 H new ATOM 0 HB3 LYS A 127 5.751 10.110 -4.247 1.00 0.00 H new ATOM 0 HG2 LYS A 127 4.286 11.555 -2.809 1.00 0.00 H new ATOM 0 HG3 LYS A 127 4.184 10.272 -1.620 1.00 0.00 H new ATOM 0 HD2 LYS A 127 6.684 10.374 -1.328 1.00 0.00 H new ATOM 0 HD3 LYS A 127 6.749 11.696 -2.477 1.00 0.00 H new ATOM 0 HE2 LYS A 127 5.321 13.087 -0.965 1.00 0.00 H new ATOM 0 HE3 LYS A 127 5.244 11.764 0.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 6.925 13.358 0.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 7.644 11.866 0.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 7.719 13.147 -0.692 1.00 0.00 H new ATOM 571 N ARG A 128 3.805 10.107 -6.435 1.00 0.00 N ATOM 572 CA ARG A 128 3.720 11.181 -7.449 1.00 0.00 C ATOM 573 C ARG A 128 2.340 11.265 -8.043 1.00 0.00 C ATOM 574 O ARG A 128 1.607 12.236 -7.835 1.00 0.00 O ATOM 575 CB ARG A 128 4.630 10.862 -8.634 1.00 0.00 C ATOM 576 CG ARG A 128 5.909 11.713 -8.557 1.00 0.00 C ATOM 577 CD ARG A 128 6.676 11.940 -9.884 1.00 0.00 C ATOM 578 NE ARG A 128 7.901 12.739 -9.642 1.00 0.00 N ATOM 579 CZ ARG A 128 8.643 13.325 -10.602 1.00 0.00 C ATOM 580 NH1 ARG A 128 8.359 13.271 -11.902 1.00 0.00 N ATOM 581 NH2 ARG A 128 9.718 13.996 -10.232 1.00 0.00 N ATOM 0 H ARG A 128 4.181 9.233 -6.804 1.00 0.00 H new ATOM 0 HA ARG A 128 3.997 12.104 -6.940 1.00 0.00 H new ATOM 0 HB2 ARG A 128 4.887 9.803 -8.631 1.00 0.00 H new ATOM 0 HB3 ARG A 128 4.107 11.061 -9.569 1.00 0.00 H new ATOM 0 HG2 ARG A 128 5.645 12.687 -8.146 1.00 0.00 H new ATOM 0 HG3 ARG A 128 6.589 11.241 -7.848 1.00 0.00 H new ATOM 0 HD2 ARG A 128 6.942 10.980 -10.327 1.00 0.00 H new ATOM 0 HD3 ARG A 128 6.034 12.454 -10.599 1.00 0.00 H new ATOM 0 HE ARG A 128 8.205 12.854 -8.675 1.00 0.00 H new ATOM 0 HH11 ARG A 128 7.535 12.762 -12.223 1.00 0.00 H new ATOM 0 HH12 ARG A 128 8.965 13.738 -12.576 1.00 0.00 H new ATOM 0 HH21 ARG A 128 9.965 14.059 -9.244 1.00 0.00 H new ATOM 0 HH22 ARG A 128 10.302 14.451 -10.934 1.00 0.00 H new ATOM 595 N VAL A 129 2.006 10.191 -8.763 1.00 0.00 N ATOM 596 CA VAL A 129 0.614 9.986 -9.232 1.00 0.00 C ATOM 597 C VAL A 129 -0.403 9.702 -8.081 1.00 0.00 C ATOM 598 O VAL A 129 -1.530 10.198 -8.181 1.00 0.00 O ATOM 599 CB VAL A 129 0.628 8.951 -10.379 1.00 0.00 C ATOM 600 CG1 VAL A 129 0.971 9.653 -11.685 1.00 0.00 C ATOM 601 CG2 VAL A 129 1.555 7.737 -10.204 1.00 0.00 C ATOM 0 H VAL A 129 2.660 9.457 -9.035 1.00 0.00 H new ATOM 0 HA VAL A 129 0.226 10.920 -9.639 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.378 8.532 -10.377 1.00 0.00 H new ATOM 0 HG11 VAL A 129 0.982 8.926 -12.497 1.00 0.00 H new ATOM 0 HG12 VAL A 129 0.224 10.419 -11.894 1.00 0.00 H new ATOM 0 HG13 VAL A 129 1.953 10.118 -11.601 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.473 7.088 -11.076 1.00 0.00 H new ATOM 0 HG22 VAL A 129 2.585 8.078 -10.101 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.265 7.184 -9.311 1.00 0.00 H new ATOM 611 N ALA A 130 -0.046 8.947 -7.007 1.00 0.00 N ATOM 612 CA ALA A 130 -0.919 8.894 -5.777 1.00 0.00 C ATOM 613 C ALA A 130 -1.007 10.258 -5.028 1.00 0.00 C ATOM 614 O ALA A 130 -2.039 10.596 -4.440 1.00 0.00 O ATOM 615 CB ALA A 130 -0.503 7.818 -4.752 1.00 0.00 C ATOM 0 H ALA A 130 0.803 8.384 -6.955 1.00 0.00 H new ATOM 0 HA ALA A 130 -1.895 8.631 -6.184 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -1.181 7.847 -3.899 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -0.548 6.834 -5.219 1.00 0.00 H new ATOM 0 HB3 ALA A 130 0.515 8.012 -4.413 1.00 0.00 H new ATOM 621 N LYS A 131 0.093 11.022 -5.108 1.00 0.00 N ATOM 622 CA LYS A 131 0.150 12.433 -4.628 1.00 0.00 C ATOM 623 C LYS A 131 -0.741 13.480 -5.353 1.00 0.00 C ATOM 624 O LYS A 131 -1.199 14.420 -4.697 1.00 0.00 O ATOM 625 CB LYS A 131 1.611 12.883 -4.675 1.00 0.00 C ATOM 626 CG LYS A 131 1.828 14.099 -3.762 1.00 0.00 C ATOM 627 CD LYS A 131 3.303 14.558 -3.685 1.00 0.00 C ATOM 628 CE LYS A 131 3.587 15.730 -2.721 1.00 0.00 C ATOM 629 NZ LYS A 131 3.426 15.373 -1.298 1.00 0.00 N ATOM 0 H LYS A 131 0.972 10.691 -5.505 1.00 0.00 H new ATOM 0 HA LYS A 131 -0.272 12.406 -3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 131 2.260 12.065 -4.362 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.887 13.135 -5.699 1.00 0.00 H new ATOM 0 HG2 LYS A 131 1.217 14.927 -4.121 1.00 0.00 H new ATOM 0 HG3 LYS A 131 1.478 13.857 -2.758 1.00 0.00 H new ATOM 0 HD2 LYS A 131 3.914 13.707 -3.384 1.00 0.00 H new ATOM 0 HD3 LYS A 131 3.628 14.846 -4.685 1.00 0.00 H new ATOM 0 HE2 LYS A 131 4.604 16.087 -2.885 1.00 0.00 H new ATOM 0 HE3 LYS A 131 2.917 16.556 -2.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 2.937 16.144 -0.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 2.865 14.500 -1.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 4.362 15.223 -0.870 1.00 0.00 H new ATOM 643 N GLU A 132 -1.002 13.318 -6.669 1.00 0.00 N ATOM 644 CA GLU A 132 -2.024 14.115 -7.421 1.00 0.00 C ATOM 645 C GLU A 132 -3.443 14.132 -6.766 1.00 0.00 C ATOM 646 O GLU A 132 -4.033 15.206 -6.618 1.00 0.00 O ATOM 647 CB GLU A 132 -2.170 13.667 -8.900 1.00 0.00 C ATOM 648 CG GLU A 132 -0.926 13.858 -9.809 1.00 0.00 C ATOM 649 CD GLU A 132 -1.256 14.323 -11.233 1.00 0.00 C ATOM 650 OE1 GLU A 132 -1.543 13.466 -12.099 1.00 0.00 O ATOM 651 OE2 GLU A 132 -1.232 15.547 -11.490 1.00 0.00 O ATOM 0 H GLU A 132 -0.516 12.634 -7.249 1.00 0.00 H new ATOM 0 HA GLU A 132 -1.624 15.128 -7.381 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -2.442 12.611 -8.911 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -3.002 14.215 -9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -0.259 14.586 -9.346 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -0.381 12.916 -9.863 1.00 0.00 H new ATOM 658 N LEU A 133 -3.955 12.954 -6.349 1.00 0.00 N ATOM 659 CA LEU A 133 -5.174 12.833 -5.490 1.00 0.00 C ATOM 660 C LEU A 133 -5.051 13.540 -4.099 1.00 0.00 C ATOM 661 O LEU A 133 -5.941 14.302 -3.715 1.00 0.00 O ATOM 662 CB LEU A 133 -5.558 11.309 -5.410 1.00 0.00 C ATOM 663 CG LEU A 133 -6.274 10.708 -4.155 1.00 0.00 C ATOM 664 CD1 LEU A 133 -7.685 11.253 -3.875 1.00 0.00 C ATOM 665 CD2 LEU A 133 -6.319 9.170 -4.222 1.00 0.00 C ATOM 0 H LEU A 133 -3.542 12.054 -6.593 1.00 0.00 H new ATOM 0 HA LEU A 133 -5.994 13.383 -5.951 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -6.195 11.098 -6.269 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -4.637 10.743 -5.550 1.00 0.00 H new ATOM 0 HG LEU A 133 -5.657 11.036 -3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -8.091 10.772 -2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -7.634 12.330 -3.714 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -8.331 11.044 -4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -6.822 8.782 -3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -6.864 8.860 -5.114 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -5.303 8.778 -4.263 1.00 0.00 H new ATOM 773 N GLU A 141 5.219 4.955 6.618 1.00 0.00 N ATOM 774 CA GLU A 141 4.376 3.916 5.948 1.00 0.00 C ATOM 775 C GLU A 141 4.818 3.610 4.488 1.00 0.00 C ATOM 776 O GLU A 141 5.071 2.455 4.154 1.00 0.00 O ATOM 777 CB GLU A 141 2.890 4.353 5.930 1.00 0.00 C ATOM 778 CG GLU A 141 2.178 4.333 7.301 1.00 0.00 C ATOM 779 CD GLU A 141 0.737 4.857 7.234 1.00 0.00 C ATOM 780 OE1 GLU A 141 -0.186 4.054 6.973 1.00 0.00 O ATOM 781 OE2 GLU A 141 0.524 6.072 7.441 1.00 0.00 O ATOM 0 HA GLU A 141 4.506 3.006 6.534 1.00 0.00 H new ATOM 0 HB2 GLU A 141 2.830 5.362 5.523 1.00 0.00 H new ATOM 0 HB3 GLU A 141 2.345 3.701 5.247 1.00 0.00 H new ATOM 0 HG2 GLU A 141 2.171 3.313 7.686 1.00 0.00 H new ATOM 0 HG3 GLU A 141 2.746 4.937 8.009 1.00 0.00 H new ATOM 788 N LEU A 142 4.939 4.662 3.659 1.00 0.00 N ATOM 789 CA LEU A 142 5.544 4.642 2.294 1.00 0.00 C ATOM 790 C LEU A 142 6.935 3.901 2.148 1.00 0.00 C ATOM 791 O LEU A 142 7.107 3.038 1.274 1.00 0.00 O ATOM 792 CB LEU A 142 5.557 6.150 1.841 1.00 0.00 C ATOM 793 CG LEU A 142 4.982 6.467 0.439 1.00 0.00 C ATOM 794 CD1 LEU A 142 4.699 7.972 0.245 1.00 0.00 C ATOM 795 CD2 LEU A 142 5.886 5.988 -0.698 1.00 0.00 C ATOM 0 H LEU A 142 4.608 5.591 3.922 1.00 0.00 H new ATOM 0 HA LEU A 142 4.946 4.018 1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 142 4.998 6.729 2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 142 6.587 6.505 1.873 1.00 0.00 H new ATOM 0 HG LEU A 142 4.043 5.916 0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 142 4.297 8.141 -0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 142 3.975 8.305 0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 142 5.625 8.535 0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 142 5.430 6.239 -1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 142 6.858 6.476 -0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 142 6.016 4.908 -0.629 1.00 0.00 H new ATOM 807 N GLN A 143 7.891 4.210 3.052 1.00 0.00 N ATOM 808 CA GLN A 143 9.178 3.466 3.214 1.00 0.00 C ATOM 809 C GLN A 143 9.007 1.970 3.633 1.00 0.00 C ATOM 810 O GLN A 143 9.759 1.125 3.144 1.00 0.00 O ATOM 811 CB GLN A 143 10.095 4.202 4.236 1.00 0.00 C ATOM 812 CG GLN A 143 10.807 5.472 3.708 1.00 0.00 C ATOM 813 CD GLN A 143 11.543 6.271 4.796 1.00 0.00 C ATOM 814 OE1 GLN A 143 11.033 6.511 5.892 1.00 0.00 O ATOM 815 NE2 GLN A 143 12.740 6.744 4.496 1.00 0.00 N ATOM 0 H GLN A 143 7.798 4.991 3.701 1.00 0.00 H new ATOM 0 HA GLN A 143 9.640 3.451 2.227 1.00 0.00 H new ATOM 0 HB2 GLN A 143 9.494 4.479 5.102 1.00 0.00 H new ATOM 0 HB3 GLN A 143 10.854 3.502 4.585 1.00 0.00 H new ATOM 0 HG2 GLN A 143 11.522 5.182 2.938 1.00 0.00 H new ATOM 0 HG3 GLN A 143 10.070 6.119 3.232 1.00 0.00 H new ATOM 0 HE21 GLN A 143 13.155 6.541 3.587 1.00 0.00 H new ATOM 0 HE22 GLN A 143 13.248 7.312 5.174 1.00 0.00 H new ATOM 824 N GLU A 144 8.029 1.648 4.507 1.00 0.00 N ATOM 825 CA GLU A 144 7.615 0.249 4.797 1.00 0.00 C ATOM 826 C GLU A 144 7.091 -0.542 3.575 1.00 0.00 C ATOM 827 O GLU A 144 7.496 -1.695 3.422 1.00 0.00 O ATOM 828 CB GLU A 144 6.531 0.206 5.907 1.00 0.00 C ATOM 829 CG GLU A 144 7.021 0.363 7.361 1.00 0.00 C ATOM 830 CD GLU A 144 7.801 -0.849 7.889 1.00 0.00 C ATOM 831 OE1 GLU A 144 7.167 -1.846 8.302 1.00 0.00 O ATOM 832 OE2 GLU A 144 9.051 -0.810 7.889 1.00 0.00 O ATOM 0 H GLU A 144 7.502 2.346 5.033 1.00 0.00 H new ATOM 0 HA GLU A 144 8.534 -0.237 5.124 1.00 0.00 H new ATOM 0 HB2 GLU A 144 5.806 0.995 5.705 1.00 0.00 H new ATOM 0 HB3 GLU A 144 6.000 -0.743 5.827 1.00 0.00 H new ATOM 0 HG2 GLU A 144 7.655 1.247 7.427 1.00 0.00 H new ATOM 0 HG3 GLU A 144 6.161 0.539 8.007 1.00 0.00 H new ATOM 839 N MET A 145 6.241 0.049 2.706 1.00 0.00 N ATOM 840 CA MET A 145 5.851 -0.588 1.415 1.00 0.00 C ATOM 841 C MET A 145 7.067 -0.958 0.523 1.00 0.00 C ATOM 842 O MET A 145 7.242 -2.140 0.214 1.00 0.00 O ATOM 843 CB MET A 145 4.825 0.291 0.638 1.00 0.00 C ATOM 844 CG MET A 145 3.370 0.179 1.111 1.00 0.00 C ATOM 845 SD MET A 145 3.124 1.052 2.668 1.00 0.00 S ATOM 846 CE MET A 145 2.147 2.478 2.151 1.00 0.00 C ATOM 0 H MET A 145 5.811 0.960 2.868 1.00 0.00 H new ATOM 0 HA MET A 145 5.368 -1.530 1.675 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.135 1.333 0.714 1.00 0.00 H new ATOM 0 HB3 MET A 145 4.868 0.022 -0.417 1.00 0.00 H new ATOM 0 HG2 MET A 145 2.705 0.590 0.351 1.00 0.00 H new ATOM 0 HG3 MET A 145 3.104 -0.871 1.233 1.00 0.00 H new ATOM 0 HE1 MET A 145 1.926 3.101 3.018 1.00 0.00 H new ATOM 0 HE2 MET A 145 2.710 3.059 1.421 1.00 0.00 H new ATOM 0 HE3 MET A 145 1.214 2.137 1.702 1.00 0.00 H new ATOM 856 N ILE A 146 7.927 0.014 0.168 1.00 0.00 N ATOM 857 CA ILE A 146 9.110 -0.270 -0.707 1.00 0.00 C ATOM 858 C ILE A 146 10.197 -1.240 -0.119 1.00 0.00 C ATOM 859 O ILE A 146 10.790 -2.020 -0.866 1.00 0.00 O ATOM 860 CB ILE A 146 9.698 1.071 -1.271 1.00 0.00 C ATOM 861 CG1 ILE A 146 10.392 0.853 -2.646 1.00 0.00 C ATOM 862 CG2 ILE A 146 10.655 1.820 -0.309 1.00 0.00 C ATOM 863 CD1 ILE A 146 9.479 0.466 -3.822 1.00 0.00 C ATOM 0 H ILE A 146 7.840 0.988 0.459 1.00 0.00 H new ATOM 0 HA ILE A 146 8.725 -0.862 -1.538 1.00 0.00 H new ATOM 0 HB ILE A 146 8.828 1.717 -1.392 1.00 0.00 H new ATOM 0 HG12 ILE A 146 10.920 1.769 -2.911 1.00 0.00 H new ATOM 0 HG13 ILE A 146 11.145 0.074 -2.528 1.00 0.00 H new ATOM 0 HG21 ILE A 146 11.010 2.733 -0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 146 10.124 2.073 0.609 1.00 0.00 H new ATOM 0 HG23 ILE A 146 11.506 1.181 -0.072 1.00 0.00 H new ATOM 0 HD11 ILE A 146 10.079 0.342 -4.723 1.00 0.00 H new ATOM 0 HD12 ILE A 146 8.969 -0.470 -3.594 1.00 0.00 H new ATOM 0 HD13 ILE A 146 8.740 1.251 -3.983 1.00 0.00 H new ATOM 875 N ASP A 147 10.414 -1.189 1.204 1.00 0.00 N ATOM 876 CA ASP A 147 11.236 -2.199 1.950 1.00 0.00 C ATOM 877 C ASP A 147 10.657 -3.654 1.892 1.00 0.00 C ATOM 878 O ASP A 147 11.422 -4.589 1.651 1.00 0.00 O ATOM 879 CB ASP A 147 11.502 -1.746 3.416 1.00 0.00 C ATOM 880 CG ASP A 147 12.528 -2.585 4.194 1.00 0.00 C ATOM 881 OD1 ASP A 147 13.747 -2.350 4.037 1.00 0.00 O ATOM 882 OD2 ASP A 147 12.118 -3.484 4.961 1.00 0.00 O ATOM 0 H ASP A 147 10.033 -0.455 1.801 1.00 0.00 H new ATOM 0 HA ASP A 147 12.192 -2.244 1.428 1.00 0.00 H new ATOM 0 HB2 ASP A 147 11.842 -0.711 3.401 1.00 0.00 H new ATOM 0 HB3 ASP A 147 10.558 -1.764 3.960 1.00 0.00 H new ATOM 887 N GLU A 148 9.337 -3.832 2.098 1.00 0.00 N ATOM 888 CA GLU A 148 8.618 -5.118 1.938 1.00 0.00 C ATOM 889 C GLU A 148 8.715 -5.788 0.539 1.00 0.00 C ATOM 890 O GLU A 148 9.044 -6.974 0.455 1.00 0.00 O ATOM 891 CB GLU A 148 7.141 -4.794 2.282 1.00 0.00 C ATOM 892 CG GLU A 148 6.651 -5.137 3.705 1.00 0.00 C ATOM 893 CD GLU A 148 7.340 -4.434 4.887 1.00 0.00 C ATOM 894 OE1 GLU A 148 8.508 -4.758 5.193 1.00 0.00 O ATOM 895 OE2 GLU A 148 6.705 -3.565 5.527 1.00 0.00 O ATOM 0 H GLU A 148 8.724 -3.070 2.387 1.00 0.00 H new ATOM 0 HA GLU A 148 9.082 -5.857 2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 148 6.983 -3.728 2.119 1.00 0.00 H new ATOM 0 HB3 GLU A 148 6.506 -5.322 1.571 1.00 0.00 H new ATOM 0 HG2 GLU A 148 5.586 -4.913 3.756 1.00 0.00 H new ATOM 0 HG3 GLU A 148 6.757 -6.213 3.846 1.00 0.00 H new ATOM 902 N ALA A 149 8.417 -5.033 -0.535 1.00 0.00 N ATOM 903 CA ALA A 149 8.579 -5.516 -1.931 1.00 0.00 C ATOM 904 C ALA A 149 10.041 -5.743 -2.407 1.00 0.00 C ATOM 905 O ALA A 149 10.305 -6.761 -3.055 1.00 0.00 O ATOM 906 CB ALA A 149 7.870 -4.532 -2.876 1.00 0.00 C ATOM 0 H ALA A 149 8.060 -4.080 -0.468 1.00 0.00 H new ATOM 0 HA ALA A 149 8.130 -6.509 -1.953 1.00 0.00 H new ATOM 0 HB1 ALA A 149 7.980 -4.873 -3.905 1.00 0.00 H new ATOM 0 HB2 ALA A 149 6.811 -4.482 -2.621 1.00 0.00 H new ATOM 0 HB3 ALA A 149 8.315 -3.543 -2.772 1.00 0.00 H new ATOM 1001 N VAL A 157 10.839 -1.797 -8.474 1.00 0.00 N ATOM 1002 CA VAL A 157 9.620 -2.659 -8.429 1.00 0.00 C ATOM 1003 C VAL A 157 9.119 -2.965 -9.873 1.00 0.00 C ATOM 1004 O VAL A 157 9.479 -2.299 -10.849 1.00 0.00 O ATOM 1005 CB VAL A 157 8.569 -1.967 -7.483 1.00 0.00 C ATOM 1006 CG1 VAL A 157 7.085 -1.909 -7.925 1.00 0.00 C ATOM 1007 CG2 VAL A 157 8.629 -2.548 -6.065 1.00 0.00 C ATOM 0 HA VAL A 157 9.827 -3.641 -8.003 1.00 0.00 H new ATOM 0 HB VAL A 157 8.902 -0.930 -7.534 1.00 0.00 H new ATOM 0 HG11 VAL A 157 6.497 -1.400 -7.161 1.00 0.00 H new ATOM 0 HG12 VAL A 157 7.007 -1.364 -8.866 1.00 0.00 H new ATOM 0 HG13 VAL A 157 6.706 -2.922 -8.060 1.00 0.00 H new ATOM 0 HG21 VAL A 157 7.891 -2.049 -5.436 1.00 0.00 H new ATOM 0 HG22 VAL A 157 8.414 -3.616 -6.100 1.00 0.00 H new ATOM 0 HG23 VAL A 157 9.625 -2.392 -5.650 1.00 0.00 H new ATOM 1017 N SER A 158 8.304 -4.030 -9.962 1.00 0.00 N ATOM 1018 CA SER A 158 7.887 -4.669 -11.237 1.00 0.00 C ATOM 1019 C SER A 158 6.328 -4.613 -11.355 1.00 0.00 C ATOM 1020 O SER A 158 5.613 -4.253 -10.413 1.00 0.00 O ATOM 1021 CB SER A 158 8.457 -6.145 -11.234 1.00 0.00 C ATOM 1022 OG SER A 158 9.756 -6.261 -10.650 1.00 0.00 O ATOM 0 H SER A 158 7.906 -4.484 -9.140 1.00 0.00 H new ATOM 0 HA SER A 158 8.283 -4.149 -12.110 1.00 0.00 H new ATOM 0 HB2 SER A 158 7.766 -6.790 -10.691 1.00 0.00 H new ATOM 0 HB3 SER A 158 8.496 -6.511 -12.260 1.00 0.00 H new ATOM 0 HG SER A 158 10.046 -7.197 -10.680 1.00 0.00 H new ATOM 1028 N GLU A 159 5.806 -4.970 -12.546 1.00 0.00 N ATOM 1029 CA GLU A 159 4.335 -5.062 -12.855 1.00 0.00 C ATOM 1030 C GLU A 159 3.437 -5.710 -11.759 1.00 0.00 C ATOM 1031 O GLU A 159 2.423 -5.135 -11.358 1.00 0.00 O ATOM 1032 CB GLU A 159 4.063 -5.715 -14.242 1.00 0.00 C ATOM 1033 CG GLU A 159 4.788 -7.005 -14.698 1.00 0.00 C ATOM 1034 CD GLU A 159 4.242 -7.534 -16.032 1.00 0.00 C ATOM 1035 OE1 GLU A 159 3.277 -8.331 -16.016 1.00 0.00 O ATOM 1036 OE2 GLU A 159 4.772 -7.151 -17.098 1.00 0.00 O ATOM 0 H GLU A 159 6.392 -5.210 -13.345 1.00 0.00 H new ATOM 0 HA GLU A 159 4.030 -4.016 -12.879 1.00 0.00 H new ATOM 0 HB2 GLU A 159 2.994 -5.923 -14.287 1.00 0.00 H new ATOM 0 HB3 GLU A 159 4.272 -4.954 -14.994 1.00 0.00 H new ATOM 0 HG2 GLU A 159 5.855 -6.805 -14.797 1.00 0.00 H new ATOM 0 HG3 GLU A 159 4.678 -7.772 -13.932 1.00 0.00 H new ATOM 1043 N GLN A 160 3.903 -6.854 -11.244 1.00 0.00 N ATOM 1044 CA GLN A 160 3.332 -7.573 -10.078 1.00 0.00 C ATOM 1045 C GLN A 160 3.016 -6.776 -8.777 1.00 0.00 C ATOM 1046 O GLN A 160 2.223 -7.300 -7.993 1.00 0.00 O ATOM 1047 CB GLN A 160 4.293 -8.738 -9.710 1.00 0.00 C ATOM 1048 CG GLN A 160 4.402 -9.878 -10.753 1.00 0.00 C ATOM 1049 CD GLN A 160 5.275 -11.058 -10.288 1.00 0.00 C ATOM 1050 OE1 GLN A 160 6.423 -10.892 -9.876 1.00 0.00 O ATOM 1051 NE2 GLN A 160 4.764 -12.278 -10.370 1.00 0.00 N ATOM 0 H GLN A 160 4.717 -7.329 -11.635 1.00 0.00 H new ATOM 0 HA GLN A 160 2.346 -7.877 -10.430 1.00 0.00 H new ATOM 0 HB2 GLN A 160 5.288 -8.325 -9.546 1.00 0.00 H new ATOM 0 HB3 GLN A 160 3.966 -9.168 -8.763 1.00 0.00 H new ATOM 0 HG2 GLN A 160 3.402 -10.245 -10.983 1.00 0.00 H new ATOM 0 HG3 GLN A 160 4.814 -9.475 -11.678 1.00 0.00 H new ATOM 0 HE21 GLN A 160 3.812 -12.410 -10.712 1.00 0.00 H new ATOM 0 HE22 GLN A 160 5.322 -13.085 -10.091 1.00 0.00 H new ATOM 1060 N GLU A 161 3.582 -5.584 -8.498 1.00 0.00 N ATOM 1061 CA GLU A 161 3.224 -4.837 -7.257 1.00 0.00 C ATOM 1062 C GLU A 161 1.936 -3.992 -7.341 1.00 0.00 C ATOM 1063 O GLU A 161 1.025 -4.271 -6.556 1.00 0.00 O ATOM 1064 CB GLU A 161 4.414 -4.020 -6.729 1.00 0.00 C ATOM 1065 CG GLU A 161 5.515 -4.866 -6.050 1.00 0.00 C ATOM 1066 CD GLU A 161 5.108 -5.551 -4.733 1.00 0.00 C ATOM 1067 OE1 GLU A 161 4.485 -4.901 -3.866 1.00 0.00 O ATOM 1068 OE2 GLU A 161 5.412 -6.753 -4.565 1.00 0.00 O ATOM 0 H GLU A 161 4.271 -5.121 -9.091 1.00 0.00 H new ATOM 0 HA GLU A 161 2.984 -5.613 -6.530 1.00 0.00 H new ATOM 0 HB2 GLU A 161 4.856 -3.467 -7.558 1.00 0.00 H new ATOM 0 HB3 GLU A 161 4.046 -3.284 -6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 161 5.844 -5.633 -6.751 1.00 0.00 H new ATOM 0 HG3 GLU A 161 6.374 -4.224 -5.855 1.00 0.00 H new ATOM 1075 N PHE A 162 1.792 -3.008 -8.256 1.00 0.00 N ATOM 1076 CA PHE A 162 0.441 -2.346 -8.430 1.00 0.00 C ATOM 1077 C PHE A 162 -0.604 -3.370 -8.965 1.00 0.00 C ATOM 1078 O PHE A 162 -1.656 -3.509 -8.337 1.00 0.00 O ATOM 1079 CB PHE A 162 0.449 -1.008 -9.233 1.00 0.00 C ATOM 1080 CG PHE A 162 -0.734 0.019 -9.177 1.00 0.00 C ATOM 1081 CD1 PHE A 162 -1.989 -0.274 -8.603 1.00 0.00 C ATOM 1082 CD2 PHE A 162 -0.613 1.241 -9.878 1.00 0.00 C ATOM 1083 CE1 PHE A 162 -3.111 0.475 -8.914 1.00 0.00 C ATOM 1084 CE2 PHE A 162 -1.735 2.003 -10.157 1.00 0.00 C ATOM 1085 CZ PHE A 162 -2.982 1.581 -9.730 1.00 0.00 C ATOM 0 H PHE A 162 2.534 -2.657 -8.862 1.00 0.00 H new ATOM 0 HA PHE A 162 0.137 -2.028 -7.433 1.00 0.00 H new ATOM 0 HB2 PHE A 162 1.345 -0.467 -8.928 1.00 0.00 H new ATOM 0 HB3 PHE A 162 0.580 -1.275 -10.282 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -2.076 -1.097 -7.909 1.00 0.00 H new ATOM 0 HD2 PHE A 162 0.361 1.582 -10.198 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -4.078 0.197 -8.522 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -1.637 2.927 -10.708 1.00 0.00 H new ATOM 0 HZ PHE A 162 -3.864 2.123 -10.039 1.00 0.00 H new ATOM 1095 N LEU A 163 -0.311 -4.134 -10.039 1.00 0.00 N ATOM 1096 CA LEU A 163 -1.268 -5.141 -10.579 1.00 0.00 C ATOM 1097 C LEU A 163 -1.470 -6.407 -9.704 1.00 0.00 C ATOM 1098 O LEU A 163 -2.620 -6.824 -9.530 1.00 0.00 O ATOM 1099 CB LEU A 163 -0.836 -5.364 -12.059 1.00 0.00 C ATOM 1100 CG LEU A 163 -1.246 -6.593 -12.914 1.00 0.00 C ATOM 1101 CD1 LEU A 163 -0.914 -6.250 -14.376 1.00 0.00 C ATOM 1102 CD2 LEU A 163 -0.511 -7.907 -12.567 1.00 0.00 C ATOM 0 H LEU A 163 0.570 -4.079 -10.550 1.00 0.00 H new ATOM 0 HA LEU A 163 -2.294 -4.773 -10.548 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -1.175 -4.486 -12.609 1.00 0.00 H new ATOM 0 HB3 LEU A 163 0.254 -5.342 -12.063 1.00 0.00 H new ATOM 0 HG LEU A 163 -2.303 -6.775 -12.720 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -1.186 -7.088 -15.017 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -1.474 -5.365 -14.678 1.00 0.00 H new ATOM 0 HD13 LEU A 163 0.154 -6.053 -14.470 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -0.866 -8.706 -13.218 1.00 0.00 H new ATOM 0 HD22 LEU A 163 0.561 -7.773 -12.710 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -0.709 -8.171 -11.528 1.00 0.00 H new ATOM 1114 N ARG A 164 -0.400 -7.005 -9.148 1.00 0.00 N ATOM 1115 CA ARG A 164 -0.526 -8.211 -8.298 1.00 0.00 C ATOM 1116 C ARG A 164 -1.023 -7.979 -6.852 1.00 0.00 C ATOM 1117 O ARG A 164 -1.821 -8.796 -6.382 1.00 0.00 O ATOM 1118 CB ARG A 164 0.836 -8.899 -8.276 1.00 0.00 C ATOM 1119 CG ARG A 164 0.715 -10.351 -7.791 1.00 0.00 C ATOM 1120 CD ARG A 164 2.071 -11.074 -7.797 1.00 0.00 C ATOM 1121 NE ARG A 164 1.948 -12.497 -7.386 1.00 0.00 N ATOM 1122 CZ ARG A 164 2.974 -13.266 -6.972 1.00 0.00 C ATOM 1123 NH1 ARG A 164 4.232 -12.841 -6.868 1.00 0.00 N ATOM 1124 NH2 ARG A 164 2.716 -14.519 -6.647 1.00 0.00 N ATOM 0 H ARG A 164 0.558 -6.677 -9.269 1.00 0.00 H new ATOM 0 HA ARG A 164 -1.309 -8.824 -8.746 1.00 0.00 H new ATOM 0 HB2 ARG A 164 1.272 -8.881 -9.275 1.00 0.00 H new ATOM 0 HB3 ARG A 164 1.514 -8.350 -7.623 1.00 0.00 H new ATOM 0 HG2 ARG A 164 0.302 -10.363 -6.782 1.00 0.00 H new ATOM 0 HG3 ARG A 164 0.014 -10.889 -8.429 1.00 0.00 H new ATOM 0 HD2 ARG A 164 2.505 -11.022 -8.796 1.00 0.00 H new ATOM 0 HD3 ARG A 164 2.758 -10.561 -7.124 1.00 0.00 H new ATOM 0 HE ARG A 164 1.021 -12.922 -7.420 1.00 0.00 H new ATOM 0 HH11 ARG A 164 4.467 -11.878 -7.109 1.00 0.00 H new ATOM 0 HH12 ARG A 164 4.961 -13.478 -6.547 1.00 0.00 H new ATOM 0 HH21 ARG A 164 1.763 -14.877 -6.713 1.00 0.00 H new ATOM 0 HH22 ARG A 164 3.469 -15.129 -6.330 1.00 0.00 H new ATOM 1138 N ILE A 165 -0.586 -6.902 -6.153 1.00 0.00 N ATOM 1139 CA ILE A 165 -1.180 -6.545 -4.826 1.00 0.00 C ATOM 1140 C ILE A 165 -2.658 -6.012 -4.982 1.00 0.00 C ATOM 1141 O ILE A 165 -3.491 -6.403 -4.157 1.00 0.00 O ATOM 1142 CB ILE A 165 -0.297 -5.593 -3.924 1.00 0.00 C ATOM 1143 CG1 ILE A 165 1.244 -5.849 -3.788 1.00 0.00 C ATOM 1144 CG2 ILE A 165 -0.872 -5.573 -2.477 1.00 0.00 C ATOM 1145 CD1 ILE A 165 1.718 -7.276 -3.473 1.00 0.00 C ATOM 0 H ILE A 165 0.155 -6.276 -6.469 1.00 0.00 H new ATOM 0 HA ILE A 165 -1.206 -7.483 -4.271 1.00 0.00 H new ATOM 0 HB ILE A 165 -0.365 -4.657 -4.478 1.00 0.00 H new ATOM 0 HG12 ILE A 165 1.716 -5.539 -4.720 1.00 0.00 H new ATOM 0 HG13 ILE A 165 1.623 -5.192 -3.005 1.00 0.00 H new ATOM 0 HG21 ILE A 165 -0.265 -4.917 -1.853 1.00 0.00 H new ATOM 0 HG22 ILE A 165 -1.898 -5.206 -2.498 1.00 0.00 H new ATOM 0 HG23 ILE A 165 -0.856 -6.582 -2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 165 2.806 -7.292 -3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 165 1.295 -7.598 -2.522 1.00 0.00 H new ATOM 0 HD13 ILE A 165 1.390 -7.951 -4.263 1.00 0.00 H new ATOM 1157 N MET A 166 -3.017 -5.202 -6.015 1.00 0.00 N ATOM 1158 CA MET A 166 -4.448 -4.852 -6.302 1.00 0.00 C ATOM 1159 C MET A 166 -5.399 -6.072 -6.561 1.00 0.00 C ATOM 1160 O MET A 166 -6.481 -6.106 -5.968 1.00 0.00 O ATOM 1161 CB MET A 166 -4.539 -3.826 -7.467 1.00 0.00 C ATOM 1162 CG MET A 166 -5.900 -3.135 -7.682 1.00 0.00 C ATOM 1163 SD MET A 166 -6.240 -1.962 -6.348 1.00 0.00 S ATOM 1164 CE MET A 166 -7.604 -2.749 -5.468 1.00 0.00 C ATOM 0 H MET A 166 -2.348 -4.780 -6.660 1.00 0.00 H new ATOM 0 HA MET A 166 -4.816 -4.404 -5.379 1.00 0.00 H new ATOM 0 HB2 MET A 166 -3.789 -3.053 -7.298 1.00 0.00 H new ATOM 0 HB3 MET A 166 -4.268 -4.337 -8.391 1.00 0.00 H new ATOM 0 HG2 MET A 166 -5.902 -2.615 -8.640 1.00 0.00 H new ATOM 0 HG3 MET A 166 -6.691 -3.884 -7.725 1.00 0.00 H new ATOM 0 HE1 MET A 166 -7.903 -2.124 -4.626 1.00 0.00 H new ATOM 0 HE2 MET A 166 -8.449 -2.875 -6.145 1.00 0.00 H new ATOM 0 HE3 MET A 166 -7.285 -3.724 -5.101 1.00 0.00 H new ATOM 1174 N LYS A 167 -5.031 -7.034 -7.437 1.00 0.00 N ATOM 1175 CA LYS A 167 -5.967 -8.092 -7.892 1.00 0.00 C ATOM 1176 C LYS A 167 -6.226 -9.222 -6.874 1.00 0.00 C ATOM 1177 O LYS A 167 -7.302 -9.268 -6.268 1.00 0.00 O ATOM 1178 CB LYS A 167 -5.374 -8.665 -9.179 1.00 0.00 C ATOM 1179 CG LYS A 167 -6.442 -9.398 -10.003 1.00 0.00 C ATOM 1180 CD LYS A 167 -5.912 -9.902 -11.360 1.00 0.00 C ATOM 1181 CE LYS A 167 -7.009 -10.527 -12.241 1.00 0.00 C ATOM 1182 NZ LYS A 167 -6.467 -10.998 -13.527 1.00 0.00 N ATOM 0 H LYS A 167 -4.097 -7.101 -7.842 1.00 0.00 H new ATOM 0 HA LYS A 167 -6.947 -7.638 -8.035 1.00 0.00 H new ATOM 0 HB2 LYS A 167 -4.941 -7.860 -9.773 1.00 0.00 H new ATOM 0 HB3 LYS A 167 -4.564 -9.352 -8.935 1.00 0.00 H new ATOM 0 HG2 LYS A 167 -6.819 -10.244 -9.429 1.00 0.00 H new ATOM 0 HG3 LYS A 167 -7.285 -8.728 -10.174 1.00 0.00 H new ATOM 0 HD2 LYS A 167 -5.453 -9.071 -11.896 1.00 0.00 H new ATOM 0 HD3 LYS A 167 -5.129 -10.640 -11.186 1.00 0.00 H new ATOM 0 HE2 LYS A 167 -7.470 -11.361 -11.712 1.00 0.00 H new ATOM 0 HE3 LYS A 167 -7.793 -9.792 -12.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 167 -7.233 -11.413 -14.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 167 -6.049 -10.197 -14.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 167 -5.736 -11.717 -13.353 1.00 0.00 H new ATOM 1301 N TRP B 2 0.575 -1.915 0.755 1.00 0.00 N ATOM 1302 CA TRP B 2 0.432 -1.782 -0.727 1.00 0.00 C ATOM 1303 C TRP B 2 -1.019 -1.976 -1.268 1.00 0.00 C ATOM 1304 O TRP B 2 -1.278 -1.467 -2.353 1.00 0.00 O ATOM 1305 CB TRP B 2 1.344 -2.771 -1.490 1.00 0.00 C ATOM 1306 CG TRP B 2 2.794 -2.361 -1.690 1.00 0.00 C ATOM 1307 CD1 TRP B 2 3.847 -2.998 -1.021 1.00 0.00 C ATOM 1308 CD2 TRP B 2 3.385 -1.626 -2.720 1.00 0.00 C ATOM 1309 NE1 TRP B 2 5.071 -2.711 -1.617 1.00 0.00 N ATOM 1310 CE2 TRP B 2 4.782 -1.837 -2.645 1.00 0.00 C ATOM 1311 CE3 TRP B 2 2.840 -0.857 -3.783 1.00 0.00 C ATOM 1312 CZ2 TRP B 2 5.652 -1.267 -3.615 1.00 0.00 C ATOM 1313 CZ3 TRP B 2 3.719 -0.308 -4.725 1.00 0.00 C ATOM 1314 CH2 TRP B 2 5.097 -0.516 -4.651 1.00 0.00 C ATOM 0 HA TRP B 2 0.728 -0.749 -0.910 1.00 0.00 H new ATOM 0 HB2 TRP B 2 1.332 -3.722 -0.958 1.00 0.00 H new ATOM 0 HB3 TRP B 2 0.904 -2.949 -2.471 1.00 0.00 H new ATOM 0 HD1 TRP B 2 3.725 -3.630 -0.154 1.00 0.00 H new ATOM 0 HE1 TRP B 2 5.988 -3.070 -1.351 1.00 0.00 H new ATOM 0 HE3 TRP B 2 1.774 -0.700 -3.863 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 6.720 -1.413 -3.551 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 3.320 0.292 -5.530 1.00 0.00 H new ATOM 0 HH2 TRP B 2 5.742 -0.090 -5.405 1.00 0.00 H new ATOM 1325 N LYS B 3 -1.938 -2.697 -0.587 1.00 0.00 N ATOM 1326 CA LYS B 3 -3.382 -2.726 -0.949 1.00 0.00 C ATOM 1327 C LYS B 3 -4.126 -1.378 -0.728 1.00 0.00 C ATOM 1328 O LYS B 3 -4.851 -0.933 -1.622 1.00 0.00 O ATOM 1329 CB LYS B 3 -4.048 -3.819 -0.104 1.00 0.00 C ATOM 1330 CG LYS B 3 -5.501 -4.072 -0.545 1.00 0.00 C ATOM 1331 CD LYS B 3 -6.317 -5.012 0.369 1.00 0.00 C ATOM 1332 CE LYS B 3 -5.932 -6.504 0.299 1.00 0.00 C ATOM 1333 NZ LYS B 3 -6.780 -7.316 1.190 1.00 0.00 N ATOM 0 H LYS B 3 -1.707 -3.272 0.223 1.00 0.00 H new ATOM 0 HA LYS B 3 -3.447 -2.924 -2.019 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -3.476 -4.743 -0.188 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -4.032 -3.528 0.946 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -6.017 -3.114 -0.605 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -5.490 -4.491 -1.551 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -6.207 -4.674 1.399 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -7.372 -4.914 0.112 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -6.032 -6.860 -0.726 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -4.885 -6.626 0.578 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -6.498 -8.315 1.122 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -6.665 -6.990 2.171 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -7.776 -7.217 0.907 1.00 0.00 H new ATOM 1347 N LEU B 4 -3.929 -0.727 0.441 1.00 0.00 N ATOM 1348 CA LEU B 4 -4.396 0.673 0.690 1.00 0.00 C ATOM 1349 C LEU B 4 -3.821 1.729 -0.318 1.00 0.00 C ATOM 1350 O LEU B 4 -4.594 2.502 -0.894 1.00 0.00 O ATOM 1351 CB LEU B 4 -4.096 1.024 2.179 1.00 0.00 C ATOM 1352 CG LEU B 4 -4.644 2.376 2.720 1.00 0.00 C ATOM 1353 CD1 LEU B 4 -6.186 2.434 2.756 1.00 0.00 C ATOM 1354 CD2 LEU B 4 -4.073 2.672 4.121 1.00 0.00 C ATOM 0 H LEU B 4 -3.447 -1.145 1.237 1.00 0.00 H new ATOM 0 HA LEU B 4 -5.470 0.719 0.510 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -4.498 0.224 2.801 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -3.014 1.020 2.315 1.00 0.00 H new ATOM 0 HG LEU B 4 -4.313 3.142 2.019 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -6.505 3.402 3.143 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -6.579 2.299 1.748 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -6.565 1.642 3.402 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -4.468 3.622 4.482 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -4.361 1.875 4.807 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -2.986 2.729 4.066 1.00 0.00 H new ATOM 1366 N LEU B 5 -2.489 1.716 -0.559 1.00 0.00 N ATOM 1367 CA LEU B 5 -1.847 2.507 -1.651 1.00 0.00 C ATOM 1368 C LEU B 5 -2.264 2.068 -3.099 1.00 0.00 C ATOM 1369 O LEU B 5 -2.269 2.920 -3.984 1.00 0.00 O ATOM 1370 CB LEU B 5 -0.298 2.507 -1.442 1.00 0.00 C ATOM 1371 CG LEU B 5 0.496 3.705 -2.056 1.00 0.00 C ATOM 1372 CD1 LEU B 5 1.750 4.031 -1.216 1.00 0.00 C ATOM 1373 CD2 LEU B 5 0.929 3.513 -3.527 1.00 0.00 C ATOM 0 H LEU B 5 -1.829 1.164 -0.011 1.00 0.00 H new ATOM 0 HA LEU B 5 -2.220 3.529 -1.578 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -0.100 2.482 -0.370 1.00 0.00 H new ATOM 0 HB3 LEU B 5 0.101 1.584 -1.862 1.00 0.00 H new ATOM 0 HG LEU B 5 -0.214 4.531 -2.038 1.00 0.00 H new ATOM 0 HD11 LEU B 5 2.282 4.868 -1.667 1.00 0.00 H new ATOM 0 HD12 LEU B 5 1.450 4.296 -0.202 1.00 0.00 H new ATOM 0 HD13 LEU B 5 2.404 3.160 -1.185 1.00 0.00 H new ATOM 0 HD21 LEU B 5 1.473 4.395 -3.864 1.00 0.00 H new ATOM 0 HD22 LEU B 5 1.574 2.638 -3.605 1.00 0.00 H new ATOM 0 HD23 LEU B 5 0.046 3.370 -4.150 1.00 0.00 H new ATOM 1385 N ALA B 6 -2.645 0.795 -3.344 1.00 0.00 N ATOM 1386 CA ALA B 6 -3.215 0.325 -4.628 1.00 0.00 C ATOM 1387 C ALA B 6 -4.641 0.844 -4.942 1.00 0.00 C ATOM 1388 O ALA B 6 -4.900 1.018 -6.125 1.00 0.00 O ATOM 1389 CB ALA B 6 -3.173 -1.209 -4.734 1.00 0.00 C ATOM 0 H ALA B 6 -2.565 0.055 -2.647 1.00 0.00 H new ATOM 0 HA ALA B 6 -2.567 0.765 -5.387 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -3.599 -1.520 -5.688 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -2.140 -1.550 -4.670 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -3.751 -1.646 -3.919 1.00 0.00 H new ATOM 1395 N LYS B 7 -5.553 1.070 -3.969 1.00 0.00 N ATOM 1396 CA LYS B 7 -6.830 1.824 -4.203 1.00 0.00 C ATOM 1397 C LYS B 7 -6.568 3.348 -4.483 1.00 0.00 C ATOM 1398 O LYS B 7 -6.985 3.923 -5.514 1.00 0.00 O ATOM 1399 CB LYS B 7 -7.713 1.642 -2.952 1.00 0.00 C ATOM 1400 CG LYS B 7 -9.131 2.243 -3.055 1.00 0.00 C ATOM 1401 CD LYS B 7 -10.081 1.602 -4.091 1.00 0.00 C ATOM 1402 CE LYS B 7 -10.590 0.191 -3.725 1.00 0.00 C ATOM 1403 NZ LYS B 7 -11.539 -0.323 -4.728 1.00 0.00 N ATOM 0 H LYS B 7 -5.438 0.745 -3.009 1.00 0.00 H new ATOM 0 HA LYS B 7 -7.329 1.432 -5.089 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -7.802 0.576 -2.742 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -7.205 2.094 -2.100 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -9.601 2.176 -2.074 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -9.035 3.303 -3.291 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -10.941 2.258 -4.228 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -9.565 1.548 -5.050 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -9.744 -0.491 -3.642 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -11.073 0.220 -2.748 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -11.859 -1.272 -4.449 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -12.358 0.315 -4.789 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -11.070 -0.375 -5.655 1.00 0.00 H new ATOM 1417 N GLY B 8 -5.798 3.957 -3.545 1.00 0.00 N ATOM 1418 CA GLY B 8 -5.208 5.305 -3.726 1.00 0.00 C ATOM 1419 C GLY B 8 -4.562 5.589 -5.105 1.00 0.00 C ATOM 1420 O GLY B 8 -4.782 6.679 -5.633 1.00 0.00 O ATOM 0 H GLY B 8 -5.571 3.529 -2.648 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.988 6.046 -3.554 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.451 5.454 -2.956 1.00 0.00 H new ATOM 1424 N LEU B 9 -3.810 4.620 -5.684 1.00 0.00 N ATOM 1425 CA LEU B 9 -3.377 4.691 -7.103 1.00 0.00 C ATOM 1426 C LEU B 9 -4.320 3.996 -8.150 1.00 0.00 C ATOM 1427 O LEU B 9 -4.133 4.250 -9.342 1.00 0.00 O ATOM 1428 CB LEU B 9 -1.881 4.328 -7.292 1.00 0.00 C ATOM 1429 CG LEU B 9 -0.973 5.449 -7.906 1.00 0.00 C ATOM 1430 CD1 LEU B 9 -0.074 4.946 -9.047 1.00 0.00 C ATOM 1431 CD2 LEU B 9 -1.574 6.694 -8.585 1.00 0.00 C ATOM 0 H LEU B 9 -3.492 3.784 -5.193 1.00 0.00 H new ATOM 0 HA LEU B 9 -3.483 5.748 -7.347 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.471 4.047 -6.322 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.819 3.448 -7.932 1.00 0.00 H new ATOM 0 HG LEU B 9 -0.513 5.729 -6.958 1.00 0.00 H new ATOM 0 HD11 LEU B 9 0.528 5.772 -9.427 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.582 4.160 -8.674 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.694 4.549 -9.851 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -0.770 7.339 -8.939 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.190 6.386 -9.430 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -2.188 7.239 -7.868 1.00 0.00 H new ATOM 1443 N LEU B 10 -5.345 3.206 -7.756 1.00 0.00 N ATOM 1444 CA LEU B 10 -6.498 2.758 -8.630 1.00 0.00 C ATOM 1445 C LEU B 10 -7.299 3.972 -9.224 1.00 0.00 C ATOM 1446 O LEU B 10 -8.004 3.805 -10.221 1.00 0.00 O ATOM 1447 CB LEU B 10 -7.444 1.726 -7.947 1.00 0.00 C ATOM 1448 CG LEU B 10 -8.485 0.984 -8.842 1.00 0.00 C ATOM 1449 CD1 LEU B 10 -7.844 0.150 -9.972 1.00 0.00 C ATOM 1450 CD2 LEU B 10 -9.396 0.087 -7.982 1.00 0.00 C ATOM 0 H LEU B 10 -5.412 2.845 -6.805 1.00 0.00 H new ATOM 0 HA LEU B 10 -6.034 2.228 -9.462 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -6.823 0.973 -7.463 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -7.990 2.244 -7.159 1.00 0.00 H new ATOM 0 HG LEU B 10 -9.076 1.763 -9.323 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -8.627 -0.338 -10.553 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -7.263 0.804 -10.622 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -7.189 -0.606 -9.539 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -10.115 -0.422 -8.623 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -8.790 -0.652 -7.459 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -9.929 0.700 -7.255 1.00 0.00 H new ATOM 1462 N ILE B 11 -7.127 5.180 -8.638 1.00 0.00 N ATOM 1463 CA ILE B 11 -7.424 6.515 -9.278 1.00 0.00 C ATOM 1464 C ILE B 11 -7.106 6.699 -10.833 1.00 0.00 C ATOM 1465 O ILE B 11 -7.444 7.741 -11.398 1.00 0.00 O ATOM 1466 CB ILE B 11 -6.486 7.536 -8.483 1.00 0.00 C ATOM 1467 CG1 ILE B 11 -6.833 9.044 -8.631 1.00 0.00 C ATOM 1468 CG2 ILE B 11 -4.952 7.349 -8.787 1.00 0.00 C ATOM 1469 CD1 ILE B 11 -8.230 9.448 -8.134 1.00 0.00 C ATOM 0 H ILE B 11 -6.771 5.273 -7.687 1.00 0.00 H new ATOM 0 HA ILE B 11 -8.503 6.658 -9.221 1.00 0.00 H new ATOM 0 HB ILE B 11 -6.701 7.257 -7.452 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -6.089 9.626 -8.087 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -6.746 9.319 -9.682 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.376 8.075 -8.213 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -4.646 6.341 -8.508 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -4.771 7.501 -9.851 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -8.373 10.518 -8.281 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -8.988 8.900 -8.694 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -8.321 9.212 -7.074 1.00 0.00 H new ATOM 1481 N ARG B 12 -6.358 5.749 -11.447 1.00 0.00 N ATOM 1482 CA ARG B 12 -5.742 5.832 -12.809 1.00 0.00 C ATOM 1483 C ARG B 12 -6.539 6.509 -13.970 1.00 0.00 C ATOM 1484 O ARG B 12 -5.953 7.277 -14.739 1.00 0.00 O ATOM 1485 CB ARG B 12 -5.234 4.416 -13.241 1.00 0.00 C ATOM 1486 CG ARG B 12 -6.074 3.117 -13.047 1.00 0.00 C ATOM 1487 CD ARG B 12 -7.369 2.916 -13.867 1.00 0.00 C ATOM 1488 NE ARG B 12 -8.598 3.268 -13.109 1.00 0.00 N ATOM 1489 CZ ARG B 12 -9.850 3.176 -13.595 1.00 0.00 C ATOM 1490 NH1 ARG B 12 -10.142 2.770 -14.829 1.00 0.00 N ATOM 1491 NH2 ARG B 12 -10.848 3.511 -12.799 1.00 0.00 N ATOM 0 H ARG B 12 -6.154 4.860 -10.991 1.00 0.00 H new ATOM 0 HA ARG B 12 -4.932 6.547 -12.661 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -5.005 4.481 -14.305 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -4.290 4.254 -12.721 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -5.420 2.271 -13.258 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -6.343 3.057 -11.992 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -7.319 3.525 -14.770 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -7.432 1.876 -14.187 1.00 0.00 H new ATOM 0 HE ARG B 12 -8.485 3.603 -12.152 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -9.393 2.506 -15.469 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -11.114 2.723 -15.134 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -10.658 3.828 -11.848 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -11.809 3.453 -13.135 1.00 0.00 H new