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= -0.36 X(o=-0.36,f=-0.66) 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=-0.0037) USER MOD Single : A 145 MET CE :methyl -170:sc= 0 (180deg=-0.041) 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 -5.535 -1.956 -15.536 1.00 0.00 N ATOM 200 CA ILE A 106 -4.537 -2.026 -14.407 1.00 0.00 C ATOM 201 C ILE A 106 -3.033 -1.990 -14.873 1.00 0.00 C ATOM 202 O ILE A 106 -2.221 -1.348 -14.201 1.00 0.00 O ATOM 203 CB ILE A 106 -4.799 -3.198 -13.388 1.00 0.00 C ATOM 204 CG1 ILE A 106 -4.925 -4.609 -14.033 1.00 0.00 C ATOM 205 CG2 ILE A 106 -5.995 -2.877 -12.453 1.00 0.00 C ATOM 206 CD1 ILE A 106 -4.921 -5.811 -13.073 1.00 0.00 C ATOM 0 HA ILE A 106 -4.711 -1.099 -13.861 1.00 0.00 H new ATOM 0 HB ILE A 106 -3.895 -3.257 -12.783 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -5.849 -4.638 -14.610 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.104 -4.735 -14.739 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -6.149 -3.706 -11.762 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -5.782 -1.969 -11.889 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.895 -2.730 -13.050 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.015 -6.734 -13.645 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.987 -5.825 -12.512 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -5.759 -5.727 -12.381 1.00 0.00 H new ATOM 218 N LEU A 107 -2.670 -2.619 -16.015 1.00 0.00 N ATOM 219 CA LEU A 107 -1.336 -2.443 -16.671 1.00 0.00 C ATOM 220 C LEU A 107 -1.033 -0.965 -17.087 1.00 0.00 C ATOM 221 O LEU A 107 0.072 -0.483 -16.829 1.00 0.00 O ATOM 222 CB LEU A 107 -1.218 -3.455 -17.852 1.00 0.00 C ATOM 223 CG LEU A 107 0.181 -3.767 -18.461 1.00 0.00 C ATOM 224 CD1 LEU A 107 0.824 -2.597 -19.229 1.00 0.00 C ATOM 225 CD2 LEU A 107 1.183 -4.361 -17.448 1.00 0.00 C ATOM 0 H LEU A 107 -3.285 -3.262 -16.513 1.00 0.00 H new ATOM 0 HA LEU A 107 -0.559 -2.665 -15.940 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.645 -4.400 -17.516 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.851 -3.088 -18.660 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.045 -4.539 -19.197 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.795 -2.906 -19.617 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.178 -2.307 -20.057 1.00 0.00 H new ATOM 0 HD13 LEU A 107 0.955 -1.749 -18.557 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.134 -4.552 -17.946 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.336 -3.656 -16.631 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.788 -5.296 -17.051 1.00 0.00 H new ATOM 237 N LYS A 108 -2.014 -0.254 -17.681 1.00 0.00 N ATOM 238 CA LYS A 108 -1.939 1.221 -17.911 1.00 0.00 C ATOM 239 C LYS A 108 -1.741 2.104 -16.645 1.00 0.00 C ATOM 240 O LYS A 108 -1.037 3.111 -16.717 1.00 0.00 O ATOM 241 CB LYS A 108 -3.234 1.724 -18.590 1.00 0.00 C ATOM 242 CG LYS A 108 -3.155 2.039 -20.105 1.00 0.00 C ATOM 243 CD LYS A 108 -4.414 2.725 -20.683 1.00 0.00 C ATOM 244 CE LYS A 108 -5.665 1.823 -20.774 1.00 0.00 C ATOM 245 NZ LYS A 108 -6.792 2.520 -21.417 1.00 0.00 N ATOM 0 H LYS A 108 -2.880 -0.675 -18.017 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.048 1.331 -18.530 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -4.009 0.973 -18.440 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -3.560 2.626 -18.073 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.292 2.680 -20.286 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -2.981 1.110 -20.648 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -4.653 3.591 -20.066 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.181 3.099 -21.680 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -5.424 0.922 -21.338 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -5.957 1.504 -19.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -7.614 1.884 -21.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -7.038 3.366 -20.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -6.521 2.803 -22.381 1.00 0.00 H new ATOM 259 N ALA A 109 -2.339 1.710 -15.509 1.00 0.00 N ATOM 260 CA ALA A 109 -2.080 2.309 -14.173 1.00 0.00 C ATOM 261 C ALA A 109 -0.619 2.135 -13.623 1.00 0.00 C ATOM 262 O ALA A 109 -0.035 3.113 -13.140 1.00 0.00 O ATOM 263 CB ALA A 109 -3.166 1.767 -13.240 1.00 0.00 C ATOM 0 H ALA A 109 -3.027 0.957 -15.484 1.00 0.00 H new ATOM 0 HA ALA A 109 -2.138 3.395 -14.249 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.024 2.176 -12.240 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -4.147 2.059 -13.615 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.102 0.680 -13.200 1.00 0.00 H new ATOM 269 N PHE A 110 -0.008 0.923 -13.701 1.00 0.00 N ATOM 270 CA PHE A 110 1.467 0.730 -13.487 1.00 0.00 C ATOM 271 C PHE A 110 2.310 1.561 -14.550 1.00 0.00 C ATOM 272 O PHE A 110 3.442 1.938 -14.256 1.00 0.00 O ATOM 273 CB PHE A 110 1.732 -0.802 -13.467 1.00 0.00 C ATOM 274 CG PHE A 110 3.198 -1.282 -13.362 1.00 0.00 C ATOM 275 CD1 PHE A 110 4.015 -1.273 -14.497 1.00 0.00 C ATOM 276 CD2 PHE A 110 3.762 -1.611 -12.125 1.00 0.00 C ATOM 277 CE1 PHE A 110 5.396 -1.431 -14.374 1.00 0.00 C ATOM 278 CE2 PHE A 110 5.152 -1.713 -11.992 1.00 0.00 C ATOM 279 CZ PHE A 110 5.964 -1.627 -13.123 1.00 0.00 C ATOM 0 H PHE A 110 -0.508 0.059 -13.910 1.00 0.00 H new ATOM 0 HA PHE A 110 1.804 1.131 -12.531 1.00 0.00 H new ATOM 0 HB2 PHE A 110 1.181 -1.226 -12.628 1.00 0.00 H new ATOM 0 HB3 PHE A 110 1.305 -1.227 -14.376 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.575 -1.143 -15.474 1.00 0.00 H new ATOM 0 HD2 PHE A 110 3.124 -1.787 -11.271 1.00 0.00 H new ATOM 0 HE1 PHE A 110 6.023 -1.401 -15.253 1.00 0.00 H new ATOM 0 HE2 PHE A 110 5.594 -1.858 -11.017 1.00 0.00 H new ATOM 0 HZ PHE A 110 7.036 -1.713 -13.025 1.00 0.00 H new ATOM 289 N LYS A 111 1.796 1.845 -15.772 1.00 0.00 N ATOM 290 CA LYS A 111 2.371 2.864 -16.694 1.00 0.00 C ATOM 291 C LYS A 111 2.247 4.330 -16.162 1.00 0.00 C ATOM 292 O LYS A 111 3.163 5.116 -16.415 1.00 0.00 O ATOM 293 CB LYS A 111 1.680 2.759 -18.053 1.00 0.00 C ATOM 294 CG LYS A 111 2.192 1.534 -18.827 1.00 0.00 C ATOM 295 CD LYS A 111 1.501 1.351 -20.198 1.00 0.00 C ATOM 296 CE LYS A 111 2.147 0.317 -21.149 1.00 0.00 C ATOM 297 NZ LYS A 111 3.265 0.859 -21.951 1.00 0.00 N ATOM 0 H LYS A 111 0.972 1.376 -16.149 1.00 0.00 H new ATOM 0 HA LYS A 111 3.437 2.650 -16.775 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.602 2.683 -17.914 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.864 3.664 -18.631 1.00 0.00 H new ATOM 0 HG2 LYS A 111 3.267 1.631 -18.979 1.00 0.00 H new ATOM 0 HG3 LYS A 111 2.034 0.639 -18.225 1.00 0.00 H new ATOM 0 HD2 LYS A 111 0.465 1.059 -20.025 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.479 2.316 -20.704 1.00 0.00 H new ATOM 0 HE2 LYS A 111 2.510 -0.526 -20.561 1.00 0.00 H new ATOM 0 HE3 LYS A 111 1.383 -0.070 -21.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.648 0.111 -22.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 2.921 1.645 -22.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 4.013 1.203 -21.316 1.00 0.00 H new ATOM 311 N LEU A 112 1.163 4.706 -15.420 1.00 0.00 N ATOM 312 CA LEU A 112 1.101 5.990 -14.643 1.00 0.00 C ATOM 313 C LEU A 112 2.247 6.093 -13.588 1.00 0.00 C ATOM 314 O LEU A 112 2.820 7.179 -13.453 1.00 0.00 O ATOM 315 CB LEU A 112 -0.275 6.309 -13.977 1.00 0.00 C ATOM 316 CG LEU A 112 -1.528 6.247 -14.895 1.00 0.00 C ATOM 317 CD1 LEU A 112 -2.811 6.403 -14.064 1.00 0.00 C ATOM 318 CD2 LEU A 112 -1.510 7.284 -16.038 1.00 0.00 C ATOM 0 H LEU A 112 0.318 4.140 -15.342 1.00 0.00 H new ATOM 0 HA LEU A 112 1.239 6.754 -15.408 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.423 5.612 -13.152 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.220 7.308 -13.544 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.507 5.265 -15.367 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.679 6.357 -14.722 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.869 5.599 -13.330 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.796 7.364 -13.549 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.415 7.181 -16.637 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.465 8.289 -15.617 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.637 7.115 -16.668 1.00 0.00 H new ATOM 330 N PHE A 113 2.618 4.981 -12.901 1.00 0.00 N ATOM 331 CA PHE A 113 3.871 4.921 -12.091 1.00 0.00 C ATOM 332 C PHE A 113 5.156 5.357 -12.891 1.00 0.00 C ATOM 333 O PHE A 113 5.881 6.226 -12.419 1.00 0.00 O ATOM 334 CB PHE A 113 4.229 3.491 -11.529 1.00 0.00 C ATOM 335 CG PHE A 113 3.567 2.725 -10.375 1.00 0.00 C ATOM 336 CD1 PHE A 113 3.466 3.239 -9.074 1.00 0.00 C ATOM 337 CD2 PHE A 113 3.590 1.331 -10.548 1.00 0.00 C ATOM 338 CE1 PHE A 113 3.393 2.357 -7.987 1.00 0.00 C ATOM 339 CE2 PHE A 113 3.570 0.469 -9.464 1.00 0.00 C ATOM 340 CZ PHE A 113 3.421 0.988 -8.203 1.00 0.00 C ATOM 0 H PHE A 113 2.074 4.118 -12.889 1.00 0.00 H new ATOM 0 HA PHE A 113 3.633 5.610 -11.280 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.156 2.824 -12.388 1.00 0.00 H new ATOM 0 HB3 PHE A 113 5.284 3.550 -11.260 1.00 0.00 H new ATOM 0 HD1 PHE A 113 3.445 4.306 -8.911 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.624 0.923 -11.547 1.00 0.00 H new ATOM 0 HE1 PHE A 113 3.315 2.744 -6.982 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.670 -0.596 -9.609 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.324 0.317 -7.362 1.00 0.00 H new ATOM 350 N ASP A 114 5.425 4.774 -14.077 1.00 0.00 N ATOM 351 CA ASP A 114 6.740 4.855 -14.759 1.00 0.00 C ATOM 352 C ASP A 114 7.056 6.124 -15.610 1.00 0.00 C ATOM 353 O ASP A 114 7.338 6.001 -16.804 1.00 0.00 O ATOM 354 CB ASP A 114 6.816 3.504 -15.535 1.00 0.00 C ATOM 355 CG ASP A 114 8.222 3.060 -15.927 1.00 0.00 C ATOM 356 OD1 ASP A 114 8.941 2.518 -15.060 1.00 0.00 O ATOM 357 OD2 ASP A 114 8.607 3.242 -17.103 1.00 0.00 O ATOM 0 H ASP A 114 4.734 4.230 -14.594 1.00 0.00 H new ATOM 0 HA ASP A 114 7.537 4.990 -14.027 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.364 2.725 -14.922 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.213 3.588 -16.439 1.00 0.00 H new ATOM 422 N LYS A 120 10.409 -0.499 -14.209 1.00 0.00 N ATOM 423 CA LYS A 120 10.418 -0.825 -12.758 1.00 0.00 C ATOM 424 C LYS A 120 10.595 0.481 -11.952 1.00 0.00 C ATOM 425 O LYS A 120 11.503 1.262 -12.256 1.00 0.00 O ATOM 426 CB LYS A 120 11.581 -1.773 -12.417 1.00 0.00 C ATOM 427 CG LYS A 120 11.600 -3.099 -13.209 1.00 0.00 C ATOM 428 CD LYS A 120 12.642 -4.104 -12.671 1.00 0.00 C ATOM 429 CE LYS A 120 12.720 -5.403 -13.498 1.00 0.00 C ATOM 430 NZ LYS A 120 13.725 -6.334 -12.953 1.00 0.00 N ATOM 0 HA LYS A 120 9.477 -1.313 -12.505 1.00 0.00 H new ATOM 0 HB2 LYS A 120 12.520 -1.249 -12.594 1.00 0.00 H new ATOM 0 HB3 LYS A 120 11.541 -2.004 -11.353 1.00 0.00 H new ATOM 0 HG2 LYS A 120 10.610 -3.554 -13.171 1.00 0.00 H new ATOM 0 HG3 LYS A 120 11.813 -2.888 -14.257 1.00 0.00 H new ATOM 0 HD2 LYS A 120 13.623 -3.629 -12.660 1.00 0.00 H new ATOM 0 HD3 LYS A 120 12.397 -4.353 -11.638 1.00 0.00 H new ATOM 0 HE2 LYS A 120 11.743 -5.887 -13.509 1.00 0.00 H new ATOM 0 HE3 LYS A 120 12.969 -5.163 -14.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 13.750 -7.196 -13.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 14.661 -5.881 -12.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 13.474 -6.583 -11.975 1.00 0.00 H new ATOM 444 N ILE A 121 9.764 0.708 -10.906 1.00 0.00 N ATOM 445 CA ILE A 121 9.666 2.060 -10.252 1.00 0.00 C ATOM 446 C ILE A 121 10.326 2.280 -8.850 1.00 0.00 C ATOM 447 O ILE A 121 10.713 1.349 -8.138 1.00 0.00 O ATOM 448 CB ILE A 121 8.164 2.552 -10.282 1.00 0.00 C ATOM 449 CG1 ILE A 121 7.035 1.655 -9.722 1.00 0.00 C ATOM 450 CG2 ILE A 121 7.833 3.048 -11.714 1.00 0.00 C ATOM 451 CD1 ILE A 121 7.248 1.218 -8.285 1.00 0.00 C ATOM 0 H ILE A 121 9.159 -0.003 -10.495 1.00 0.00 H new ATOM 0 HA ILE A 121 10.313 2.683 -10.869 1.00 0.00 H new ATOM 0 HB ILE A 121 8.154 3.343 -9.532 1.00 0.00 H new ATOM 0 HG12 ILE A 121 6.090 2.193 -9.791 1.00 0.00 H new ATOM 0 HG13 ILE A 121 6.944 0.769 -10.350 1.00 0.00 H new ATOM 0 HG21 ILE A 121 6.799 3.391 -11.750 1.00 0.00 H new ATOM 0 HG22 ILE A 121 8.498 3.871 -11.977 1.00 0.00 H new ATOM 0 HG23 ILE A 121 7.969 2.231 -12.423 1.00 0.00 H new ATOM 0 HD11 ILE A 121 6.414 0.593 -7.967 1.00 0.00 H new ATOM 0 HD12 ILE A 121 8.176 0.650 -8.211 1.00 0.00 H new ATOM 0 HD13 ILE A 121 7.308 2.097 -7.643 1.00 0.00 H new ATOM 463 N SER A 122 10.422 3.592 -8.516 1.00 0.00 N ATOM 464 CA SER A 122 10.997 4.133 -7.261 1.00 0.00 C ATOM 465 C SER A 122 9.926 4.840 -6.359 1.00 0.00 C ATOM 466 O SER A 122 8.785 5.100 -6.755 1.00 0.00 O ATOM 467 CB SER A 122 12.171 5.054 -7.689 1.00 0.00 C ATOM 468 OG SER A 122 12.943 5.481 -6.575 1.00 0.00 O ATOM 0 H SER A 122 10.088 4.328 -9.138 1.00 0.00 H new ATOM 0 HA SER A 122 11.367 3.334 -6.618 1.00 0.00 H new ATOM 0 HB2 SER A 122 12.812 4.522 -8.392 1.00 0.00 H new ATOM 0 HB3 SER A 122 11.777 5.925 -8.213 1.00 0.00 H new ATOM 0 HG SER A 122 13.673 6.057 -6.884 1.00 0.00 H new ATOM 474 N PHE A 123 10.361 5.149 -5.121 1.00 0.00 N ATOM 475 CA PHE A 123 9.609 5.892 -4.062 1.00 0.00 C ATOM 476 C PHE A 123 8.688 7.090 -4.477 1.00 0.00 C ATOM 477 O PHE A 123 7.510 7.164 -4.094 1.00 0.00 O ATOM 478 CB PHE A 123 10.710 6.302 -3.031 1.00 0.00 C ATOM 479 CG PHE A 123 10.202 6.867 -1.701 1.00 0.00 C ATOM 480 CD1 PHE A 123 9.870 8.223 -1.584 1.00 0.00 C ATOM 481 CD2 PHE A 123 10.010 6.013 -0.611 1.00 0.00 C ATOM 482 CE1 PHE A 123 9.302 8.706 -0.410 1.00 0.00 C ATOM 483 CE2 PHE A 123 9.470 6.506 0.569 1.00 0.00 C ATOM 484 CZ PHE A 123 9.098 7.842 0.663 1.00 0.00 C ATOM 0 H PHE A 123 11.293 4.878 -4.806 1.00 0.00 H new ATOM 0 HA PHE A 123 8.836 5.230 -3.671 1.00 0.00 H new ATOM 0 HB2 PHE A 123 11.327 5.429 -2.821 1.00 0.00 H new ATOM 0 HB3 PHE A 123 11.358 7.045 -3.496 1.00 0.00 H new ATOM 0 HD1 PHE A 123 10.056 8.896 -2.408 1.00 0.00 H new ATOM 0 HD2 PHE A 123 10.282 4.970 -0.687 1.00 0.00 H new ATOM 0 HE1 PHE A 123 9.021 9.746 -0.331 1.00 0.00 H new ATOM 0 HE2 PHE A 123 9.339 5.850 1.416 1.00 0.00 H new ATOM 0 HZ PHE A 123 8.649 8.212 1.573 1.00 0.00 H new ATOM 494 N LYS A 124 9.274 8.036 -5.224 1.00 0.00 N ATOM 495 CA LYS A 124 8.537 9.241 -5.711 1.00 0.00 C ATOM 496 C LYS A 124 7.399 8.948 -6.712 1.00 0.00 C ATOM 497 O LYS A 124 6.331 9.554 -6.600 1.00 0.00 O ATOM 498 CB LYS A 124 9.411 10.329 -6.357 1.00 0.00 C ATOM 499 CG LYS A 124 10.307 11.022 -5.325 1.00 0.00 C ATOM 500 CD LYS A 124 11.030 12.260 -5.891 1.00 0.00 C ATOM 501 CE LYS A 124 11.982 12.881 -4.857 1.00 0.00 C ATOM 502 NZ LYS A 124 12.658 14.079 -5.383 1.00 0.00 N ATOM 0 H LYS A 124 10.252 8.003 -5.511 1.00 0.00 H new ATOM 0 HA LYS A 124 8.126 9.607 -4.770 1.00 0.00 H new ATOM 0 HB2 LYS A 124 10.030 9.884 -7.136 1.00 0.00 H new ATOM 0 HB3 LYS A 124 8.773 11.069 -6.841 1.00 0.00 H new ATOM 0 HG2 LYS A 124 9.702 11.321 -4.469 1.00 0.00 H new ATOM 0 HG3 LYS A 124 11.048 10.311 -4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 124 11.592 11.978 -6.781 1.00 0.00 H new ATOM 0 HD3 LYS A 124 10.294 13.002 -6.201 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.422 13.145 -3.960 1.00 0.00 H new ATOM 0 HE3 LYS A 124 12.728 12.143 -4.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 13.291 14.468 -4.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 13.213 13.823 -6.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 11.948 14.793 -5.641 1.00 0.00 H new ATOM 516 N ASN A 125 7.600 8.008 -7.654 1.00 0.00 N ATOM 517 CA ASN A 125 6.521 7.552 -8.583 1.00 0.00 C ATOM 518 C ASN A 125 5.214 7.052 -7.851 1.00 0.00 C ATOM 519 O ASN A 125 4.120 7.563 -8.176 1.00 0.00 O ATOM 520 CB ASN A 125 7.172 6.537 -9.588 1.00 0.00 C ATOM 521 CG ASN A 125 8.040 7.192 -10.701 1.00 0.00 C ATOM 522 OD1 ASN A 125 7.722 8.253 -11.240 1.00 0.00 O ATOM 523 ND2 ASN A 125 9.135 6.557 -11.094 1.00 0.00 N ATOM 0 H ASN A 125 8.496 7.543 -7.801 1.00 0.00 H new ATOM 0 HA ASN A 125 6.126 8.394 -9.152 1.00 0.00 H new ATOM 0 HB2 ASN A 125 7.792 5.838 -9.027 1.00 0.00 H new ATOM 0 HB3 ASN A 125 6.380 5.954 -10.059 1.00 0.00 H new ATOM 0 HD21 ASN A 125 9.711 6.947 -11.840 1.00 0.00 H new ATOM 0 HD22 ASN A 125 9.402 5.678 -10.650 1.00 0.00 H new ATOM 530 N LEU A 126 5.389 6.166 -6.810 1.00 0.00 N ATOM 531 CA LEU A 126 4.345 5.753 -5.812 1.00 0.00 C ATOM 532 C LEU A 126 3.579 7.015 -5.307 1.00 0.00 C ATOM 533 O LEU A 126 2.437 7.245 -5.719 1.00 0.00 O ATOM 534 CB LEU A 126 4.907 5.013 -4.525 1.00 0.00 C ATOM 535 CG LEU A 126 5.387 3.543 -4.426 1.00 0.00 C ATOM 536 CD1 LEU A 126 4.225 2.620 -4.063 1.00 0.00 C ATOM 537 CD2 LEU A 126 6.243 2.914 -5.529 1.00 0.00 C ATOM 0 H LEU A 126 6.286 5.710 -6.642 1.00 0.00 H new ATOM 0 HA LEU A 126 3.709 5.049 -6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.752 5.616 -4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 126 4.127 5.113 -3.771 1.00 0.00 H new ATOM 0 HG LEU A 126 6.129 3.639 -3.633 1.00 0.00 H new ATOM 0 HD11 LEU A 126 4.583 1.592 -3.998 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.809 2.920 -3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.453 2.688 -4.830 1.00 0.00 H new ATOM 0 HD21 LEU A 126 6.471 1.881 -5.268 1.00 0.00 H new ATOM 0 HD22 LEU A 126 5.696 2.937 -6.472 1.00 0.00 H new ATOM 0 HD23 LEU A 126 7.171 3.475 -5.634 1.00 0.00 H new ATOM 549 N LYS A 127 4.275 7.859 -4.511 1.00 0.00 N ATOM 550 CA LYS A 127 3.727 9.120 -3.986 1.00 0.00 C ATOM 551 C LYS A 127 3.229 10.200 -4.985 1.00 0.00 C ATOM 552 O LYS A 127 2.573 11.148 -4.556 1.00 0.00 O ATOM 553 CB LYS A 127 4.929 9.730 -3.268 1.00 0.00 C ATOM 554 CG LYS A 127 4.515 10.800 -2.231 1.00 0.00 C ATOM 555 CD LYS A 127 5.718 11.374 -1.454 1.00 0.00 C ATOM 556 CE LYS A 127 5.310 12.346 -0.330 1.00 0.00 C ATOM 557 NZ LYS A 127 6.486 12.890 0.369 1.00 0.00 N ATOM 0 H LYS A 127 5.235 7.679 -4.217 1.00 0.00 H new ATOM 0 HA LYS A 127 2.831 8.866 -3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 127 5.489 8.940 -2.767 1.00 0.00 H new ATOM 0 HB3 LYS A 127 5.598 10.179 -4.002 1.00 0.00 H new ATOM 0 HG2 LYS A 127 3.996 11.612 -2.740 1.00 0.00 H new ATOM 0 HG3 LYS A 127 3.808 10.362 -1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 127 6.290 10.552 -1.024 1.00 0.00 H new ATOM 0 HD3 LYS A 127 6.378 11.891 -2.150 1.00 0.00 H new ATOM 0 HE2 LYS A 127 4.725 13.164 -0.750 1.00 0.00 H new ATOM 0 HE3 LYS A 127 4.668 11.829 0.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 6.174 13.540 1.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 7.030 12.111 0.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 7.085 13.404 -0.308 1.00 0.00 H new ATOM 571 N ARG A 128 3.635 10.137 -6.265 1.00 0.00 N ATOM 572 CA ARG A 128 3.473 11.259 -7.220 1.00 0.00 C ATOM 573 C ARG A 128 2.121 11.210 -7.877 1.00 0.00 C ATOM 574 O ARG A 128 1.275 12.078 -7.639 1.00 0.00 O ATOM 575 CB ARG A 128 4.537 11.153 -8.316 1.00 0.00 C ATOM 576 CG ARG A 128 5.785 12.002 -8.017 1.00 0.00 C ATOM 577 CD ARG A 128 5.646 13.479 -8.441 1.00 0.00 C ATOM 578 NE ARG A 128 6.879 14.253 -8.149 1.00 0.00 N ATOM 579 CZ ARG A 128 7.056 15.552 -8.460 1.00 0.00 C ATOM 580 NH1 ARG A 128 6.139 16.305 -9.065 1.00 0.00 N ATOM 581 NH2 ARG A 128 8.210 16.113 -8.147 1.00 0.00 N ATOM 0 H ARG A 128 4.083 9.315 -6.670 1.00 0.00 H new ATOM 0 HA ARG A 128 3.576 12.193 -6.667 1.00 0.00 H new ATOM 0 HB2 ARG A 128 4.831 10.110 -8.431 1.00 0.00 H new ATOM 0 HB3 ARG A 128 4.107 11.469 -9.266 1.00 0.00 H new ATOM 0 HG2 ARG A 128 5.996 11.958 -6.949 1.00 0.00 H new ATOM 0 HG3 ARG A 128 6.642 11.565 -8.529 1.00 0.00 H new ATOM 0 HD2 ARG A 128 5.427 13.532 -9.507 1.00 0.00 H new ATOM 0 HD3 ARG A 128 4.802 13.929 -7.919 1.00 0.00 H new ATOM 0 HE ARG A 128 7.645 13.768 -7.681 1.00 0.00 H new ATOM 0 HH11 ARG A 128 5.237 15.903 -9.321 1.00 0.00 H new ATOM 0 HH12 ARG A 128 6.338 17.284 -9.272 1.00 0.00 H new ATOM 0 HH21 ARG A 128 8.935 15.565 -7.684 1.00 0.00 H new ATOM 0 HH22 ARG A 128 8.377 17.095 -8.368 1.00 0.00 H new ATOM 595 N VAL A 129 1.934 10.147 -8.665 1.00 0.00 N ATOM 596 CA VAL A 129 0.587 9.832 -9.193 1.00 0.00 C ATOM 597 C VAL A 129 -0.434 9.391 -8.098 1.00 0.00 C ATOM 598 O VAL A 129 -1.594 9.807 -8.197 1.00 0.00 O ATOM 599 CB VAL A 129 0.711 8.860 -10.390 1.00 0.00 C ATOM 600 CG1 VAL A 129 1.132 9.590 -11.670 1.00 0.00 C ATOM 601 CG2 VAL A 129 1.636 7.640 -10.237 1.00 0.00 C ATOM 0 H VAL A 129 2.670 9.501 -8.950 1.00 0.00 H new ATOM 0 HA VAL A 129 0.144 10.754 -9.569 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.303 8.463 -10.438 1.00 0.00 H new ATOM 0 HG11 VAL A 129 1.209 8.874 -12.489 1.00 0.00 H new ATOM 0 HG12 VAL A 129 0.388 10.347 -11.918 1.00 0.00 H new ATOM 0 HG13 VAL A 129 2.099 10.068 -11.515 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.620 7.053 -11.156 1.00 0.00 H new ATOM 0 HG22 VAL A 129 2.654 7.977 -10.040 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.291 7.024 -9.407 1.00 0.00 H new ATOM 611 N ALA A 130 -0.048 8.589 -7.074 1.00 0.00 N ATOM 612 CA ALA A 130 -0.955 8.344 -5.900 1.00 0.00 C ATOM 613 C ALA A 130 -1.216 9.603 -5.023 1.00 0.00 C ATOM 614 O ALA A 130 -2.308 9.761 -4.470 1.00 0.00 O ATOM 615 CB ALA A 130 -0.470 7.185 -5.008 1.00 0.00 C ATOM 0 H ALA A 130 0.852 8.111 -7.026 1.00 0.00 H new ATOM 0 HA ALA A 130 -1.904 8.066 -6.358 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -1.162 7.052 -4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -0.428 6.267 -5.595 1.00 0.00 H new ATOM 0 HB3 ALA A 130 0.523 7.415 -4.621 1.00 0.00 H new ATOM 621 N LYS A 131 -0.216 10.496 -4.959 1.00 0.00 N ATOM 622 CA LYS A 131 -0.381 11.849 -4.358 1.00 0.00 C ATOM 623 C LYS A 131 -1.329 12.846 -5.090 1.00 0.00 C ATOM 624 O LYS A 131 -1.945 13.664 -4.400 1.00 0.00 O ATOM 625 CB LYS A 131 1.004 12.480 -4.183 1.00 0.00 C ATOM 626 CG LYS A 131 0.935 13.702 -3.250 1.00 0.00 C ATOM 627 CD LYS A 131 2.312 14.302 -2.899 1.00 0.00 C ATOM 628 CE LYS A 131 2.231 15.456 -1.881 1.00 0.00 C ATOM 629 NZ LYS A 131 3.566 15.980 -1.546 1.00 0.00 N ATOM 0 H LYS A 131 0.722 10.314 -5.315 1.00 0.00 H new ATOM 0 HA LYS A 131 -0.889 11.670 -3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 131 1.695 11.743 -3.774 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.397 12.780 -5.154 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.324 14.472 -3.721 1.00 0.00 H new ATOM 0 HG3 LYS A 131 0.430 13.414 -2.328 1.00 0.00 H new ATOM 0 HD2 LYS A 131 2.952 13.516 -2.497 1.00 0.00 H new ATOM 0 HD3 LYS A 131 2.786 14.664 -3.811 1.00 0.00 H new ATOM 0 HE2 LYS A 131 1.617 16.259 -2.289 1.00 0.00 H new ATOM 0 HE3 LYS A 131 1.738 15.107 -0.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 3.472 16.755 -0.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 4.144 15.220 -1.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 4.026 16.336 -2.408 1.00 0.00 H new ATOM 643 N GLU A 132 -1.483 12.780 -6.433 1.00 0.00 N ATOM 644 CA GLU A 132 -2.530 13.547 -7.186 1.00 0.00 C ATOM 645 C GLU A 132 -3.992 13.446 -6.657 1.00 0.00 C ATOM 646 O GLU A 132 -4.702 14.456 -6.663 1.00 0.00 O ATOM 647 CB GLU A 132 -2.617 13.119 -8.677 1.00 0.00 C ATOM 648 CG GLU A 132 -1.374 13.342 -9.568 1.00 0.00 C ATOM 649 CD GLU A 132 -1.441 12.662 -10.946 1.00 0.00 C ATOM 650 OE1 GLU A 132 -1.869 11.488 -11.039 1.00 0.00 O ATOM 651 OE2 GLU A 132 -1.053 13.302 -11.947 1.00 0.00 O ATOM 0 H GLU A 132 -0.894 12.200 -7.031 1.00 0.00 H new ATOM 0 HA GLU A 132 -2.174 14.568 -7.044 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -2.863 12.058 -8.706 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -3.453 13.653 -9.130 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -1.235 14.413 -9.713 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -0.494 12.975 -9.039 1.00 0.00 H new ATOM 658 N LEU A 133 -4.420 12.247 -6.213 1.00 0.00 N ATOM 659 CA LEU A 133 -5.781 12.022 -5.621 1.00 0.00 C ATOM 660 C LEU A 133 -6.185 12.984 -4.447 1.00 0.00 C ATOM 661 O LEU A 133 -7.318 13.476 -4.440 1.00 0.00 O ATOM 662 CB LEU A 133 -5.981 10.494 -5.291 1.00 0.00 C ATOM 663 CG LEU A 133 -6.056 9.976 -3.814 1.00 0.00 C ATOM 664 CD1 LEU A 133 -7.468 10.102 -3.196 1.00 0.00 C ATOM 665 CD2 LEU A 133 -5.586 8.523 -3.673 1.00 0.00 C ATOM 0 H LEU A 133 -3.846 11.404 -6.248 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.497 12.306 -6.392 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -6.902 10.182 -5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -5.165 9.957 -5.774 1.00 0.00 H new ATOM 0 HG LEU A 133 -5.376 10.628 -3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -7.452 9.726 -2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -7.772 11.149 -3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -8.176 9.520 -3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -5.659 8.217 -2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -6.214 7.876 -4.286 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -4.550 8.442 -4.003 1.00 0.00 H new ATOM 773 N GLU A 141 5.318 5.033 6.481 1.00 0.00 N ATOM 774 CA GLU A 141 4.449 4.013 5.808 1.00 0.00 C ATOM 775 C GLU A 141 4.909 3.656 4.360 1.00 0.00 C ATOM 776 O GLU A 141 5.123 2.486 4.039 1.00 0.00 O ATOM 777 CB GLU A 141 2.984 4.515 5.727 1.00 0.00 C ATOM 778 CG GLU A 141 2.234 4.592 7.074 1.00 0.00 C ATOM 779 CD GLU A 141 0.822 5.176 6.935 1.00 0.00 C ATOM 780 OE1 GLU A 141 -0.131 4.401 6.694 1.00 0.00 O ATOM 781 OE2 GLU A 141 0.659 6.409 7.066 1.00 0.00 O ATOM 0 HA GLU A 141 4.530 3.116 6.422 1.00 0.00 H new ATOM 0 HB2 GLU A 141 2.982 5.506 5.273 1.00 0.00 H new ATOM 0 HB3 GLU A 141 2.429 3.857 5.059 1.00 0.00 H new ATOM 0 HG2 GLU A 141 2.168 3.593 7.506 1.00 0.00 H new ATOM 0 HG3 GLU A 141 2.808 5.203 7.770 1.00 0.00 H new ATOM 788 N LEU A 142 5.094 4.699 3.532 1.00 0.00 N ATOM 789 CA LEU A 142 5.731 4.641 2.184 1.00 0.00 C ATOM 790 C LEU A 142 7.107 3.876 2.090 1.00 0.00 C ATOM 791 O LEU A 142 7.291 3.046 1.190 1.00 0.00 O ATOM 792 CB LEU A 142 5.786 6.130 1.684 1.00 0.00 C ATOM 793 CG LEU A 142 5.181 6.408 0.286 1.00 0.00 C ATOM 794 CD1 LEU A 142 4.793 7.885 0.073 1.00 0.00 C ATOM 795 CD2 LEU A 142 6.107 5.974 -0.851 1.00 0.00 C ATOM 0 H LEU A 142 4.798 5.642 3.782 1.00 0.00 H new ATOM 0 HA LEU A 142 5.130 4.014 1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 142 5.267 6.754 2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 142 6.828 6.450 1.675 1.00 0.00 H new ATOM 0 HG LEU A 142 4.273 5.805 0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 142 4.376 8.011 -0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 142 4.051 8.177 0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 142 5.678 8.513 0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 142 5.634 6.192 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 142 7.049 6.517 -0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 142 6.298 4.904 -0.776 1.00 0.00 H new ATOM 807 N GLN A 143 8.031 4.114 3.051 1.00 0.00 N ATOM 808 CA GLN A 143 9.281 3.308 3.234 1.00 0.00 C ATOM 809 C GLN A 143 9.027 1.809 3.586 1.00 0.00 C ATOM 810 O GLN A 143 9.753 0.947 3.083 1.00 0.00 O ATOM 811 CB GLN A 143 10.193 3.931 4.335 1.00 0.00 C ATOM 812 CG GLN A 143 11.006 5.183 3.939 1.00 0.00 C ATOM 813 CD GLN A 143 11.777 5.822 5.106 1.00 0.00 C ATOM 814 OE1 GLN A 143 12.398 5.150 5.930 1.00 0.00 O ATOM 815 NE2 GLN A 143 11.784 7.142 5.176 1.00 0.00 N ATOM 0 H GLN A 143 7.938 4.871 3.728 1.00 0.00 H new ATOM 0 HA GLN A 143 9.775 3.336 2.263 1.00 0.00 H new ATOM 0 HB2 GLN A 143 9.567 4.189 5.189 1.00 0.00 H new ATOM 0 HB3 GLN A 143 10.891 3.165 4.671 1.00 0.00 H new ATOM 0 HG2 GLN A 143 11.713 4.912 3.155 1.00 0.00 H new ATOM 0 HG3 GLN A 143 10.329 5.924 3.515 1.00 0.00 H new ATOM 0 HE21 GLN A 143 11.267 7.692 4.490 1.00 0.00 H new ATOM 0 HE22 GLN A 143 12.306 7.611 5.916 1.00 0.00 H new ATOM 824 N GLU A 144 8.014 1.502 4.422 1.00 0.00 N ATOM 825 CA GLU A 144 7.536 0.112 4.654 1.00 0.00 C ATOM 826 C GLU A 144 7.032 -0.647 3.398 1.00 0.00 C ATOM 827 O GLU A 144 7.342 -1.837 3.276 1.00 0.00 O ATOM 828 CB GLU A 144 6.415 0.085 5.725 1.00 0.00 C ATOM 829 CG GLU A 144 6.835 0.270 7.199 1.00 0.00 C ATOM 830 CD GLU A 144 7.570 -0.932 7.806 1.00 0.00 C ATOM 831 OE1 GLU A 144 6.899 -1.873 8.285 1.00 0.00 O ATOM 832 OE2 GLU A 144 8.821 -0.940 7.805 1.00 0.00 O ATOM 0 H GLU A 144 7.502 2.204 4.956 1.00 0.00 H new ATOM 0 HA GLU A 144 8.429 -0.414 4.992 1.00 0.00 H new ATOM 0 HB2 GLU A 144 5.696 0.866 5.479 1.00 0.00 H new ATOM 0 HB3 GLU A 144 5.892 -0.868 5.641 1.00 0.00 H new ATOM 0 HG2 GLU A 144 7.477 1.148 7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 144 5.945 0.474 7.794 1.00 0.00 H new ATOM 839 N MET A 145 6.289 0.006 2.480 1.00 0.00 N ATOM 840 CA MET A 145 5.925 -0.624 1.179 1.00 0.00 C ATOM 841 C MET A 145 7.149 -0.922 0.267 1.00 0.00 C ATOM 842 O MET A 145 7.332 -2.068 -0.146 1.00 0.00 O ATOM 843 CB MET A 145 4.857 0.212 0.414 1.00 0.00 C ATOM 844 CG MET A 145 3.426 0.094 0.950 1.00 0.00 C ATOM 845 SD MET A 145 3.217 1.087 2.437 1.00 0.00 S ATOM 846 CE MET A 145 2.389 2.548 1.781 1.00 0.00 C ATOM 0 H MET A 145 5.931 0.953 2.605 1.00 0.00 H new ATOM 0 HA MET A 145 5.491 -1.590 1.437 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.152 1.261 0.442 1.00 0.00 H new ATOM 0 HB3 MET A 145 4.862 -0.093 -0.632 1.00 0.00 H new ATOM 0 HG2 MET A 145 2.719 0.420 0.187 1.00 0.00 H new ATOM 0 HG3 MET A 145 3.200 -0.949 1.169 1.00 0.00 H new ATOM 0 HE1 MET A 145 2.355 3.322 2.548 1.00 0.00 H new ATOM 0 HE2 MET A 145 2.937 2.919 0.915 1.00 0.00 H new ATOM 0 HE3 MET A 145 1.373 2.288 1.483 1.00 0.00 H new ATOM 856 N ILE A 146 7.954 0.093 -0.078 1.00 0.00 N ATOM 857 CA ILE A 146 9.070 -0.077 -1.078 1.00 0.00 C ATOM 858 C ILE A 146 10.256 -0.954 -0.546 1.00 0.00 C ATOM 859 O ILE A 146 10.832 -1.722 -1.322 1.00 0.00 O ATOM 860 CB ILE A 146 9.439 1.329 -1.722 1.00 0.00 C ATOM 861 CG1 ILE A 146 8.760 1.610 -3.123 1.00 0.00 C ATOM 862 CG2 ILE A 146 10.952 1.639 -1.885 1.00 0.00 C ATOM 863 CD1 ILE A 146 8.884 0.531 -4.217 1.00 0.00 C ATOM 0 H ILE A 146 7.873 1.036 0.303 1.00 0.00 H new ATOM 0 HA ILE A 146 8.723 -0.688 -1.912 1.00 0.00 H new ATOM 0 HB ILE A 146 9.031 1.991 -0.958 1.00 0.00 H new ATOM 0 HG12 ILE A 146 7.699 1.789 -2.950 1.00 0.00 H new ATOM 0 HG13 ILE A 146 9.179 2.535 -3.518 1.00 0.00 H new ATOM 0 HG21 ILE A 146 11.075 2.624 -2.334 1.00 0.00 H new ATOM 0 HG22 ILE A 146 11.434 1.623 -0.908 1.00 0.00 H new ATOM 0 HG23 ILE A 146 11.410 0.887 -2.528 1.00 0.00 H new ATOM 0 HD11 ILE A 146 8.370 0.866 -5.118 1.00 0.00 H new ATOM 0 HD12 ILE A 146 9.937 0.360 -4.442 1.00 0.00 H new ATOM 0 HD13 ILE A 146 8.433 -0.397 -3.865 1.00 0.00 H new ATOM 875 N ASP A 147 10.581 -0.863 0.756 1.00 0.00 N ATOM 876 CA ASP A 147 11.490 -1.841 1.431 1.00 0.00 C ATOM 877 C ASP A 147 10.856 -3.276 1.530 1.00 0.00 C ATOM 878 O ASP A 147 11.563 -4.257 1.289 1.00 0.00 O ATOM 879 CB ASP A 147 11.973 -1.311 2.810 1.00 0.00 C ATOM 880 CG ASP A 147 13.132 -2.100 3.440 1.00 0.00 C ATOM 881 OD1 ASP A 147 14.306 -1.808 3.123 1.00 0.00 O ATOM 882 OD2 ASP A 147 12.870 -3.016 4.250 1.00 0.00 O ATOM 0 H ASP A 147 10.234 -0.127 1.372 1.00 0.00 H new ATOM 0 HA ASP A 147 12.374 -1.944 0.801 1.00 0.00 H new ATOM 0 HB2 ASP A 147 12.281 -0.272 2.695 1.00 0.00 H new ATOM 0 HB3 ASP A 147 11.130 -1.319 3.501 1.00 0.00 H new ATOM 887 N GLU A 148 9.546 -3.386 1.840 1.00 0.00 N ATOM 888 CA GLU A 148 8.757 -4.644 1.831 1.00 0.00 C ATOM 889 C GLU A 148 8.825 -5.524 0.543 1.00 0.00 C ATOM 890 O GLU A 148 9.033 -6.735 0.653 1.00 0.00 O ATOM 891 CB GLU A 148 7.301 -4.191 2.124 1.00 0.00 C ATOM 892 CG GLU A 148 6.371 -5.228 2.776 1.00 0.00 C ATOM 893 CD GLU A 148 5.911 -6.386 1.879 1.00 0.00 C ATOM 894 OE1 GLU A 148 5.105 -6.150 0.952 1.00 0.00 O ATOM 895 OE2 GLU A 148 6.359 -7.534 2.095 1.00 0.00 O ATOM 0 H GLU A 148 8.987 -2.577 2.113 1.00 0.00 H new ATOM 0 HA GLU A 148 9.184 -5.320 2.572 1.00 0.00 H new ATOM 0 HB2 GLU A 148 7.341 -3.316 2.772 1.00 0.00 H new ATOM 0 HB3 GLU A 148 6.849 -3.872 1.185 1.00 0.00 H new ATOM 0 HG2 GLU A 148 6.881 -5.648 3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 148 5.487 -4.710 3.147 1.00 0.00 H new ATOM 902 N ALA A 149 8.614 -4.932 -0.650 1.00 0.00 N ATOM 903 CA ALA A 149 8.602 -5.682 -1.933 1.00 0.00 C ATOM 904 C ALA A 149 9.989 -6.191 -2.418 1.00 0.00 C ATOM 905 O ALA A 149 10.069 -7.354 -2.826 1.00 0.00 O ATOM 906 CB ALA A 149 7.913 -4.837 -3.017 1.00 0.00 C ATOM 0 H ALA A 149 8.448 -3.931 -0.757 1.00 0.00 H new ATOM 0 HA ALA A 149 8.036 -6.593 -1.740 1.00 0.00 H new ATOM 0 HB1 ALA A 149 7.905 -5.388 -3.957 1.00 0.00 H new ATOM 0 HB2 ALA A 149 6.888 -4.621 -2.714 1.00 0.00 H new ATOM 0 HB3 ALA A 149 8.457 -3.902 -3.149 1.00 0.00 H new ATOM 1001 N VAL A 157 10.815 -1.961 -8.253 1.00 0.00 N ATOM 1002 CA VAL A 157 9.616 -2.851 -8.286 1.00 0.00 C ATOM 1003 C VAL A 157 9.122 -3.140 -9.735 1.00 0.00 C ATOM 1004 O VAL A 157 9.495 -2.466 -10.698 1.00 0.00 O ATOM 1005 CB VAL A 157 8.559 -2.199 -7.317 1.00 0.00 C ATOM 1006 CG1 VAL A 157 7.091 -2.118 -7.790 1.00 0.00 C ATOM 1007 CG2 VAL A 157 8.610 -2.844 -5.927 1.00 0.00 C ATOM 0 HA VAL A 157 9.842 -3.856 -7.929 1.00 0.00 H new ATOM 0 HB VAL A 157 8.886 -1.159 -7.297 1.00 0.00 H new ATOM 0 HG11 VAL A 157 6.485 -1.646 -7.017 1.00 0.00 H new ATOM 0 HG12 VAL A 157 7.036 -1.528 -8.705 1.00 0.00 H new ATOM 0 HG13 VAL A 157 6.715 -3.123 -7.982 1.00 0.00 H new ATOM 0 HG21 VAL A 157 7.869 -2.374 -5.280 1.00 0.00 H new ATOM 0 HG22 VAL A 157 8.393 -3.909 -6.012 1.00 0.00 H new ATOM 0 HG23 VAL A 157 9.603 -2.709 -5.499 1.00 0.00 H new ATOM 1017 N SER A 158 8.293 -4.197 -9.837 1.00 0.00 N ATOM 1018 CA SER A 158 7.815 -4.787 -11.109 1.00 0.00 C ATOM 1019 C SER A 158 6.258 -4.751 -11.200 1.00 0.00 C ATOM 1020 O SER A 158 5.544 -4.407 -10.251 1.00 0.00 O ATOM 1021 CB SER A 158 8.398 -6.220 -11.260 1.00 0.00 C ATOM 1022 OG SER A 158 9.822 -6.208 -11.298 1.00 0.00 O ATOM 0 H SER A 158 7.926 -4.679 -9.017 1.00 0.00 H new ATOM 0 HA SER A 158 8.173 -4.190 -11.948 1.00 0.00 H new ATOM 0 HB2 SER A 158 8.061 -6.839 -10.429 1.00 0.00 H new ATOM 0 HB3 SER A 158 8.013 -6.675 -12.173 1.00 0.00 H new ATOM 0 HG SER A 158 10.154 -7.125 -11.392 1.00 0.00 H new ATOM 1028 N GLU A 159 5.754 -5.107 -12.399 1.00 0.00 N ATOM 1029 CA GLU A 159 4.287 -5.233 -12.735 1.00 0.00 C ATOM 1030 C GLU A 159 3.378 -5.904 -11.652 1.00 0.00 C ATOM 1031 O GLU A 159 2.328 -5.369 -11.277 1.00 0.00 O ATOM 1032 CB GLU A 159 4.054 -5.904 -14.130 1.00 0.00 C ATOM 1033 CG GLU A 159 4.448 -7.381 -14.389 1.00 0.00 C ATOM 1034 CD GLU A 159 5.946 -7.702 -14.335 1.00 0.00 C ATOM 1035 OE1 GLU A 159 6.676 -7.345 -15.285 1.00 0.00 O ATOM 1036 OE2 GLU A 159 6.399 -8.314 -13.342 1.00 0.00 O ATOM 0 H GLU A 159 6.356 -5.324 -13.193 1.00 0.00 H new ATOM 0 HA GLU A 159 3.962 -4.193 -12.766 1.00 0.00 H new ATOM 0 HB2 GLU A 159 2.990 -5.815 -14.352 1.00 0.00 H new ATOM 0 HB3 GLU A 159 4.585 -5.300 -14.866 1.00 0.00 H new ATOM 0 HG2 GLU A 159 3.937 -8.005 -13.656 1.00 0.00 H new ATOM 0 HG3 GLU A 159 4.071 -7.669 -15.370 1.00 0.00 H new ATOM 1043 N GLN A 160 3.869 -7.040 -11.132 1.00 0.00 N ATOM 1044 CA GLN A 160 3.269 -7.808 -10.013 1.00 0.00 C ATOM 1045 C GLN A 160 2.944 -7.058 -8.688 1.00 0.00 C ATOM 1046 O GLN A 160 2.135 -7.584 -7.924 1.00 0.00 O ATOM 1047 CB GLN A 160 4.211 -9.000 -9.688 1.00 0.00 C ATOM 1048 CG GLN A 160 4.294 -10.100 -10.776 1.00 0.00 C ATOM 1049 CD GLN A 160 5.162 -11.305 -10.370 1.00 0.00 C ATOM 1050 OE1 GLN A 160 6.317 -11.165 -9.969 1.00 0.00 O ATOM 1051 NE2 GLN A 160 4.637 -12.514 -10.492 1.00 0.00 N ATOM 0 H GLN A 160 4.724 -7.469 -11.486 1.00 0.00 H new ATOM 0 HA GLN A 160 2.286 -8.092 -10.388 1.00 0.00 H new ATOM 0 HB2 GLN A 160 5.214 -8.611 -9.512 1.00 0.00 H new ATOM 0 HB3 GLN A 160 3.880 -9.459 -8.757 1.00 0.00 H new ATOM 0 HG2 GLN A 160 3.287 -10.449 -11.005 1.00 0.00 H new ATOM 0 HG3 GLN A 160 4.697 -9.665 -11.691 1.00 0.00 H new ATOM 0 HE21 GLN A 160 3.679 -12.623 -10.825 1.00 0.00 H new ATOM 0 HE22 GLN A 160 5.190 -13.337 -10.253 1.00 0.00 H new ATOM 1060 N GLU A 161 3.504 -5.871 -8.394 1.00 0.00 N ATOM 1061 CA GLU A 161 3.193 -5.146 -7.138 1.00 0.00 C ATOM 1062 C GLU A 161 1.915 -4.278 -7.166 1.00 0.00 C ATOM 1063 O GLU A 161 1.018 -4.554 -6.365 1.00 0.00 O ATOM 1064 CB GLU A 161 4.432 -4.359 -6.701 1.00 0.00 C ATOM 1065 CG GLU A 161 5.558 -5.205 -6.075 1.00 0.00 C ATOM 1066 CD GLU A 161 6.302 -6.239 -6.932 1.00 0.00 C ATOM 1067 OE1 GLU A 161 7.316 -5.886 -7.568 1.00 0.00 O ATOM 1068 OE2 GLU A 161 5.885 -7.419 -6.952 1.00 0.00 O ATOM 0 H GLU A 161 4.170 -5.392 -9.000 1.00 0.00 H new ATOM 0 HA GLU A 161 2.946 -5.901 -6.392 1.00 0.00 H new ATOM 0 HB2 GLU A 161 4.833 -3.833 -7.567 1.00 0.00 H new ATOM 0 HB3 GLU A 161 4.126 -3.600 -5.981 1.00 0.00 H new ATOM 0 HG2 GLU A 161 6.303 -4.514 -5.680 1.00 0.00 H new ATOM 0 HG3 GLU A 161 5.131 -5.735 -5.223 1.00 0.00 H new ATOM 1075 N PHE A 162 1.771 -3.276 -8.062 1.00 0.00 N ATOM 1076 CA PHE A 162 0.431 -2.590 -8.226 1.00 0.00 C ATOM 1077 C PHE A 162 -0.632 -3.593 -8.762 1.00 0.00 C ATOM 1078 O PHE A 162 -1.680 -3.723 -8.122 1.00 0.00 O ATOM 1079 CB PHE A 162 0.492 -1.246 -9.019 1.00 0.00 C ATOM 1080 CG PHE A 162 -0.692 -0.214 -9.108 1.00 0.00 C ATOM 1081 CD1 PHE A 162 -1.976 -0.425 -8.558 1.00 0.00 C ATOM 1082 CD2 PHE A 162 -0.517 0.943 -9.904 1.00 0.00 C ATOM 1083 CE1 PHE A 162 -3.067 0.321 -8.981 1.00 0.00 C ATOM 1084 CE2 PHE A 162 -1.608 1.696 -10.300 1.00 0.00 C ATOM 1085 CZ PHE A 162 -2.882 1.350 -9.887 1.00 0.00 C ATOM 0 H PHE A 162 2.515 -2.924 -8.665 1.00 0.00 H new ATOM 0 HA PHE A 162 0.109 -2.274 -7.234 1.00 0.00 H new ATOM 0 HB2 PHE A 162 1.343 -0.696 -8.618 1.00 0.00 H new ATOM 0 HB3 PHE A 162 0.740 -1.512 -10.047 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -2.111 -1.179 -7.796 1.00 0.00 H new ATOM 0 HD2 PHE A 162 0.477 1.241 -10.205 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -4.055 0.100 -8.605 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -1.464 2.558 -10.935 1.00 0.00 H new ATOM 0 HZ PHE A 162 -3.736 1.886 -10.274 1.00 0.00 H new ATOM 1095 N LEU A 163 -0.344 -4.367 -9.834 1.00 0.00 N ATOM 1096 CA LEU A 163 -1.326 -5.356 -10.365 1.00 0.00 C ATOM 1097 C LEU A 163 -1.575 -6.594 -9.460 1.00 0.00 C ATOM 1098 O LEU A 163 -2.736 -6.948 -9.240 1.00 0.00 O ATOM 1099 CB LEU A 163 -0.960 -5.845 -11.795 1.00 0.00 C ATOM 1100 CG LEU A 163 -1.063 -4.867 -12.995 1.00 0.00 C ATOM 1101 CD1 LEU A 163 -0.129 -3.646 -12.939 1.00 0.00 C ATOM 1102 CD2 LEU A 163 -0.798 -5.641 -14.297 1.00 0.00 C ATOM 0 H LEU A 163 0.539 -4.332 -10.343 1.00 0.00 H new ATOM 0 HA LEU A 163 -2.256 -4.788 -10.389 1.00 0.00 H new ATOM 0 HB2 LEU A 163 0.066 -6.210 -11.761 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -1.596 -6.702 -12.018 1.00 0.00 H new ATOM 0 HG LEU A 163 -2.074 -4.461 -12.951 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -0.282 -3.030 -13.825 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -0.349 -3.060 -12.047 1.00 0.00 H new ATOM 0 HD13 LEU A 163 0.907 -3.982 -12.906 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -0.869 -4.961 -15.146 1.00 0.00 H new ATOM 0 HD22 LEU A 163 0.200 -6.078 -14.264 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -1.538 -6.434 -14.406 1.00 0.00 H new ATOM 1114 N ARG A 164 -0.513 -7.260 -8.979 1.00 0.00 N ATOM 1115 CA ARG A 164 -0.642 -8.482 -8.156 1.00 0.00 C ATOM 1116 C ARG A 164 -1.031 -8.265 -6.676 1.00 0.00 C ATOM 1117 O ARG A 164 -1.777 -9.101 -6.157 1.00 0.00 O ATOM 1118 CB ARG A 164 0.704 -9.197 -8.237 1.00 0.00 C ATOM 1119 CG ARG A 164 0.604 -10.654 -7.761 1.00 0.00 C ATOM 1120 CD ARG A 164 1.953 -11.384 -7.866 1.00 0.00 C ATOM 1121 NE ARG A 164 1.843 -12.818 -7.491 1.00 0.00 N ATOM 1122 CZ ARG A 164 2.879 -13.595 -7.118 1.00 0.00 C ATOM 1123 NH1 ARG A 164 4.136 -13.164 -7.014 1.00 0.00 N ATOM 1124 NH2 ARG A 164 2.634 -14.861 -6.835 1.00 0.00 N ATOM 0 H ARG A 164 0.452 -6.974 -9.145 1.00 0.00 H new ATOM 0 HA ARG A 164 -1.474 -9.060 -8.559 1.00 0.00 H new ATOM 0 HB2 ARG A 164 1.067 -9.174 -9.265 1.00 0.00 H new ATOM 0 HB3 ARG A 164 1.436 -8.665 -7.629 1.00 0.00 H new ATOM 0 HG2 ARG A 164 0.259 -10.676 -6.727 1.00 0.00 H new ATOM 0 HG3 ARG A 164 -0.141 -11.181 -8.357 1.00 0.00 H new ATOM 0 HD2 ARG A 164 2.330 -11.304 -8.886 1.00 0.00 H new ATOM 0 HD3 ARG A 164 2.681 -10.895 -7.218 1.00 0.00 H new ATOM 0 HE ARG A 164 0.917 -13.245 -7.518 1.00 0.00 H new ATOM 0 HH11 ARG A 164 4.360 -12.191 -7.223 1.00 0.00 H new ATOM 0 HH12 ARG A 164 4.873 -13.807 -6.726 1.00 0.00 H new ATOM 0 HH21 ARG A 164 1.683 -15.224 -6.902 1.00 0.00 H new ATOM 0 HH22 ARG A 164 3.396 -15.476 -6.549 1.00 0.00 H new ATOM 1138 N ILE A 165 -0.566 -7.183 -5.998 1.00 0.00 N ATOM 1139 CA ILE A 165 -1.076 -6.852 -4.633 1.00 0.00 C ATOM 1140 C ILE A 165 -2.558 -6.291 -4.727 1.00 0.00 C ATOM 1141 O ILE A 165 -3.348 -6.665 -3.852 1.00 0.00 O ATOM 1142 CB ILE A 165 -0.118 -5.962 -3.733 1.00 0.00 C ATOM 1143 CG1 ILE A 165 1.453 -6.175 -3.686 1.00 0.00 C ATOM 1144 CG2 ILE A 165 -0.628 -6.038 -2.268 1.00 0.00 C ATOM 1145 CD1 ILE A 165 2.108 -7.491 -4.104 1.00 0.00 C ATOM 0 H ILE A 165 0.140 -6.540 -6.357 1.00 0.00 H new ATOM 0 HA ILE A 165 -1.091 -7.792 -4.082 1.00 0.00 H new ATOM 0 HB ILE A 165 -0.193 -5.007 -4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 165 1.894 -5.394 -4.306 1.00 0.00 H new ATOM 0 HG13 ILE A 165 1.765 -5.981 -2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 165 0.014 -5.434 -1.627 1.00 0.00 H new ATOM 0 HG22 ILE A 165 -1.649 -5.660 -2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 165 -0.608 -7.074 -1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 165 3.189 -7.411 -3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 165 1.736 -8.299 -3.474 1.00 0.00 H new ATOM 0 HD13 ILE A 165 1.867 -7.703 -5.146 1.00 0.00 H new ATOM 1157 N MET A 166 -2.986 -5.491 -5.750 1.00 0.00 N ATOM 1158 CA MET A 166 -4.435 -5.161 -5.967 1.00 0.00 C ATOM 1159 C MET A 166 -5.365 -6.404 -6.200 1.00 0.00 C ATOM 1160 O MET A 166 -6.417 -6.495 -5.559 1.00 0.00 O ATOM 1161 CB MET A 166 -4.584 -4.148 -7.139 1.00 0.00 C ATOM 1162 CG MET A 166 -5.959 -3.470 -7.290 1.00 0.00 C ATOM 1163 SD MET A 166 -6.249 -2.306 -5.936 1.00 0.00 S ATOM 1164 CE MET A 166 -7.574 -3.107 -5.010 1.00 0.00 C ATOM 0 H MET A 166 -2.358 -5.066 -6.432 1.00 0.00 H new ATOM 0 HA MET A 166 -4.776 -4.716 -5.032 1.00 0.00 H new ATOM 0 HB2 MET A 166 -3.831 -3.369 -7.015 1.00 0.00 H new ATOM 0 HB3 MET A 166 -4.355 -4.667 -8.070 1.00 0.00 H new ATOM 0 HG2 MET A 166 -6.009 -2.945 -8.244 1.00 0.00 H new ATOM 0 HG3 MET A 166 -6.744 -4.226 -7.301 1.00 0.00 H new ATOM 0 HE1 MET A 166 -7.843 -2.490 -4.152 1.00 0.00 H new ATOM 0 HE2 MET A 166 -8.444 -3.232 -5.654 1.00 0.00 H new ATOM 0 HE3 MET A 166 -7.237 -4.084 -4.663 1.00 0.00 H new ATOM 1174 N LYS A 167 -4.991 -7.324 -7.114 1.00 0.00 N ATOM 1175 CA LYS A 167 -5.832 -8.479 -7.520 1.00 0.00 C ATOM 1176 C LYS A 167 -6.138 -9.509 -6.409 1.00 0.00 C ATOM 1177 O LYS A 167 -7.309 -9.712 -6.077 1.00 0.00 O ATOM 1178 CB LYS A 167 -5.112 -9.166 -8.686 1.00 0.00 C ATOM 1179 CG LYS A 167 -6.007 -10.206 -9.384 1.00 0.00 C ATOM 1180 CD LYS A 167 -5.336 -10.973 -10.545 1.00 0.00 C ATOM 1181 CE LYS A 167 -5.093 -10.147 -11.827 1.00 0.00 C ATOM 1182 NZ LYS A 167 -4.445 -10.957 -12.872 1.00 0.00 N ATOM 0 H LYS A 167 -4.093 -7.290 -7.596 1.00 0.00 H new ATOM 0 HA LYS A 167 -6.812 -8.085 -7.791 1.00 0.00 H new ATOM 0 HB2 LYS A 167 -4.796 -8.415 -9.410 1.00 0.00 H new ATOM 0 HB3 LYS A 167 -4.209 -9.653 -8.318 1.00 0.00 H new ATOM 0 HG2 LYS A 167 -6.347 -10.927 -8.641 1.00 0.00 H new ATOM 0 HG3 LYS A 167 -6.894 -9.701 -9.767 1.00 0.00 H new ATOM 0 HD2 LYS A 167 -4.379 -11.363 -10.197 1.00 0.00 H new ATOM 0 HD3 LYS A 167 -5.957 -11.832 -10.798 1.00 0.00 H new ATOM 0 HE2 LYS A 167 -6.042 -9.762 -12.199 1.00 0.00 H new ATOM 0 HE3 LYS A 167 -4.469 -9.285 -11.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 167 -4.295 -10.374 -13.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 167 -3.528 -11.304 -12.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 167 -5.053 -11.766 -13.111 1.00 0.00 H new ATOM 1301 N TRP B 2 0.620 -1.990 1.014 1.00 0.00 N ATOM 1302 CA TRP B 2 0.476 -2.007 -0.475 1.00 0.00 C ATOM 1303 C TRP B 2 -0.981 -2.167 -0.997 1.00 0.00 C ATOM 1304 O TRP B 2 -1.232 -1.667 -2.087 1.00 0.00 O ATOM 1305 CB TRP B 2 1.299 -3.148 -1.114 1.00 0.00 C ATOM 1306 CG TRP B 2 2.731 -2.820 -1.490 1.00 0.00 C ATOM 1307 CD1 TRP B 2 3.842 -3.329 -0.806 1.00 0.00 C ATOM 1308 CD2 TRP B 2 3.235 -2.192 -2.628 1.00 0.00 C ATOM 1309 NE1 TRP B 2 5.029 -3.027 -1.475 1.00 0.00 N ATOM 1310 CE2 TRP B 2 4.643 -2.271 -2.563 1.00 0.00 C ATOM 1311 CE3 TRP B 2 2.607 -1.628 -3.776 1.00 0.00 C ATOM 1312 CZ2 TRP B 2 5.440 -1.682 -3.575 1.00 0.00 C ATOM 1313 CZ3 TRP B 2 3.423 -1.137 -4.804 1.00 0.00 C ATOM 1314 CH2 TRP B 2 4.815 -1.133 -4.693 1.00 0.00 C ATOM 0 HA TRP B 2 0.841 -1.022 -0.767 1.00 0.00 H new ATOM 0 HB2 TRP B 2 1.312 -3.989 -0.421 1.00 0.00 H new ATOM 0 HB3 TRP B 2 0.779 -3.483 -2.011 1.00 0.00 H new ATOM 0 HD1 TRP B 2 3.787 -3.883 0.119 1.00 0.00 H new ATOM 0 HE1 TRP B 2 5.976 -3.305 -1.216 1.00 0.00 H new ATOM 0 HE3 TRP B 2 1.531 -1.580 -3.852 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 6.516 -1.659 -3.482 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 2.965 -0.753 -5.703 1.00 0.00 H new ATOM 0 HH2 TRP B 2 5.413 -0.700 -5.481 1.00 0.00 H new ATOM 1325 N LYS B 3 -1.902 -2.872 -0.307 1.00 0.00 N ATOM 1326 CA LYS B 3 -3.344 -2.899 -0.677 1.00 0.00 C ATOM 1327 C LYS B 3 -4.076 -1.529 -0.533 1.00 0.00 C ATOM 1328 O LYS B 3 -4.816 -1.140 -1.441 1.00 0.00 O ATOM 1329 CB LYS B 3 -4.009 -3.929 0.244 1.00 0.00 C ATOM 1330 CG LYS B 3 -5.464 -4.229 -0.158 1.00 0.00 C ATOM 1331 CD LYS B 3 -6.273 -5.045 0.875 1.00 0.00 C ATOM 1332 CE LYS B 3 -5.873 -6.529 1.020 1.00 0.00 C ATOM 1333 NZ LYS B 3 -6.658 -7.188 2.080 1.00 0.00 N ATOM 0 H LYS B 3 -1.677 -3.434 0.514 1.00 0.00 H new ATOM 0 HA LYS B 3 -3.418 -3.151 -1.735 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -3.432 -4.854 0.225 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -3.988 -3.561 1.270 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -5.978 -3.284 -0.335 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -5.459 -4.771 -1.103 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -6.173 -4.564 1.848 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -7.327 -4.997 0.603 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -6.029 -7.045 0.073 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -4.810 -6.602 1.251 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -6.370 -8.184 2.157 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -6.489 -6.708 2.987 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -7.670 -7.138 1.845 1.00 0.00 H new ATOM 1347 N LEU B 4 -3.851 -0.796 0.581 1.00 0.00 N ATOM 1348 CA LEU B 4 -4.320 0.614 0.744 1.00 0.00 C ATOM 1349 C LEU B 4 -3.714 1.632 -0.281 1.00 0.00 C ATOM 1350 O LEU B 4 -4.467 2.450 -0.820 1.00 0.00 O ATOM 1351 CB LEU B 4 -4.099 1.109 2.205 1.00 0.00 C ATOM 1352 CG LEU B 4 -4.844 0.359 3.349 1.00 0.00 C ATOM 1353 CD1 LEU B 4 -4.402 0.892 4.726 1.00 0.00 C ATOM 1354 CD2 LEU B 4 -6.381 0.434 3.232 1.00 0.00 C ATOM 0 H LEU B 4 -3.344 -1.154 1.390 1.00 0.00 H new ATOM 0 HA LEU B 4 -5.387 0.583 0.523 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -3.031 1.063 2.416 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -4.388 2.159 2.250 1.00 0.00 H new ATOM 0 HG LEU B 4 -4.567 -0.691 3.249 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -4.934 0.355 5.512 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -3.329 0.743 4.847 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -4.630 1.956 4.795 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -6.836 -0.109 4.060 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -6.698 1.476 3.264 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -6.696 -0.012 2.289 1.00 0.00 H new ATOM 1366 N LEU B 5 -2.396 1.570 -0.571 1.00 0.00 N ATOM 1367 CA LEU B 5 -1.759 2.329 -1.689 1.00 0.00 C ATOM 1368 C LEU B 5 -2.151 1.807 -3.117 1.00 0.00 C ATOM 1369 O LEU B 5 -2.184 2.606 -4.049 1.00 0.00 O ATOM 1370 CB LEU B 5 -0.214 2.364 -1.456 1.00 0.00 C ATOM 1371 CG LEU B 5 0.641 3.518 -2.067 1.00 0.00 C ATOM 1372 CD1 LEU B 5 0.794 3.494 -3.599 1.00 0.00 C ATOM 1373 CD2 LEU B 5 0.214 4.924 -1.597 1.00 0.00 C ATOM 0 H LEU B 5 -1.738 0.996 -0.043 1.00 0.00 H new ATOM 0 HA LEU B 5 -2.148 3.347 -1.674 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -0.049 2.373 -0.379 1.00 0.00 H new ATOM 0 HB3 LEU B 5 0.192 1.425 -1.833 1.00 0.00 H new ATOM 0 HG LEU B 5 1.629 3.305 -1.660 1.00 0.00 H new ATOM 0 HD11 LEU B 5 1.405 4.339 -3.917 1.00 0.00 H new ATOM 0 HD12 LEU B 5 1.274 2.564 -3.902 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -0.189 3.563 -4.064 1.00 0.00 H new ATOM 0 HD21 LEU B 5 0.854 5.673 -2.063 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -0.823 5.104 -1.882 1.00 0.00 H new ATOM 0 HD23 LEU B 5 0.309 4.990 -0.513 1.00 0.00 H new ATOM 1385 N ALA B 6 -2.487 0.508 -3.298 1.00 0.00 N ATOM 1386 CA ALA B 6 -3.078 -0.041 -4.542 1.00 0.00 C ATOM 1387 C ALA B 6 -4.474 0.543 -4.878 1.00 0.00 C ATOM 1388 O ALA B 6 -4.701 0.760 -6.061 1.00 0.00 O ATOM 1389 CB ALA B 6 -3.121 -1.575 -4.503 1.00 0.00 C ATOM 0 H ALA B 6 -2.353 -0.198 -2.574 1.00 0.00 H new ATOM 0 HA ALA B 6 -2.417 0.274 -5.350 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -3.559 -1.950 -5.428 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -2.109 -1.965 -4.397 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -3.726 -1.901 -3.657 1.00 0.00 H new ATOM 1395 N LYS B 7 -5.381 0.785 -3.901 1.00 0.00 N ATOM 1396 CA LYS B 7 -6.612 1.607 -4.111 1.00 0.00 C ATOM 1397 C LYS B 7 -6.300 3.112 -4.431 1.00 0.00 C ATOM 1398 O LYS B 7 -6.798 3.705 -5.410 1.00 0.00 O ATOM 1399 CB LYS B 7 -7.433 1.511 -2.824 1.00 0.00 C ATOM 1400 CG LYS B 7 -8.841 2.098 -3.008 1.00 0.00 C ATOM 1401 CD LYS B 7 -9.723 1.961 -1.751 1.00 0.00 C ATOM 1402 CE LYS B 7 -11.145 2.520 -1.953 1.00 0.00 C ATOM 1403 NZ LYS B 7 -11.960 2.377 -0.735 1.00 0.00 N ATOM 0 H LYS B 7 -5.288 0.423 -2.952 1.00 0.00 H new ATOM 0 HA LYS B 7 -7.152 1.222 -4.976 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -7.510 0.468 -2.517 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -6.919 2.042 -2.023 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -8.757 3.152 -3.272 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -9.330 1.598 -3.844 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -9.788 0.909 -1.471 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -9.247 2.483 -0.921 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -11.087 3.572 -2.232 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -11.628 1.998 -2.779 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -12.910 2.763 -0.906 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -12.035 1.371 -0.484 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -11.511 2.896 0.046 1.00 0.00 H new ATOM 1417 N GLY B 8 -5.404 3.681 -3.585 1.00 0.00 N ATOM 1418 CA GLY B 8 -4.751 4.991 -3.807 1.00 0.00 C ATOM 1419 C GLY B 8 -4.305 5.286 -5.253 1.00 0.00 C ATOM 1420 O GLY B 8 -4.680 6.346 -5.758 1.00 0.00 O ATOM 0 H GLY B 8 -5.112 3.233 -2.716 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.439 5.776 -3.493 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.877 5.054 -3.158 1.00 0.00 H new ATOM 1424 N LEU B 9 -3.562 4.363 -5.918 1.00 0.00 N ATOM 1425 CA LEU B 9 -3.345 4.475 -7.391 1.00 0.00 C ATOM 1426 C LEU B 9 -4.394 3.700 -8.288 1.00 0.00 C ATOM 1427 O LEU B 9 -4.421 3.916 -9.501 1.00 0.00 O ATOM 1428 CB LEU B 9 -1.870 4.293 -7.809 1.00 0.00 C ATOM 1429 CG LEU B 9 -1.551 5.028 -9.158 1.00 0.00 C ATOM 1430 CD1 LEU B 9 -1.662 6.565 -9.192 1.00 0.00 C ATOM 1431 CD2 LEU B 9 -0.083 4.868 -9.546 1.00 0.00 C ATOM 0 H LEU B 9 -3.115 3.558 -5.479 1.00 0.00 H new ATOM 0 HA LEU B 9 -3.570 5.517 -7.619 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.220 4.677 -7.023 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.650 3.230 -7.913 1.00 0.00 H new ATOM 0 HG LEU B 9 -2.302 4.564 -9.797 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -1.412 6.926 -10.190 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -2.681 6.862 -8.944 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.972 6.996 -8.467 1.00 0.00 H new ATOM 0 HD21 LEU B 9 0.104 5.389 -10.485 1.00 0.00 H new ATOM 0 HD22 LEU B 9 0.548 5.291 -8.764 1.00 0.00 H new ATOM 0 HD23 LEU B 9 0.148 3.810 -9.666 1.00 0.00 H new ATOM 1443 N LEU B 10 -5.324 2.890 -7.750 1.00 0.00 N ATOM 1444 CA LEU B 10 -6.560 2.388 -8.478 1.00 0.00 C ATOM 1445 C LEU B 10 -7.428 3.570 -9.060 1.00 0.00 C ATOM 1446 O LEU B 10 -8.204 3.353 -9.993 1.00 0.00 O ATOM 1447 CB LEU B 10 -7.440 1.403 -7.659 1.00 0.00 C ATOM 1448 CG LEU B 10 -8.535 0.588 -8.411 1.00 0.00 C ATOM 1449 CD1 LEU B 10 -7.967 -0.348 -9.499 1.00 0.00 C ATOM 1450 CD2 LEU B 10 -9.380 -0.226 -7.411 1.00 0.00 C ATOM 0 H LEU B 10 -5.261 2.548 -6.791 1.00 0.00 H new ATOM 0 HA LEU B 10 -6.164 1.806 -9.310 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -6.775 0.692 -7.169 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -7.933 1.974 -6.872 1.00 0.00 H new ATOM 0 HG LEU B 10 -9.161 1.320 -8.921 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -8.785 -0.884 -9.981 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -7.431 0.242 -10.243 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -7.284 -1.064 -9.042 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -10.140 -0.790 -7.951 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -8.735 -0.916 -6.867 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -9.863 0.451 -6.707 1.00 0.00 H new ATOM 1462 N ILE B 11 -7.219 4.809 -8.541 1.00 0.00 N ATOM 1463 CA ILE B 11 -7.579 6.115 -9.206 1.00 0.00 C ATOM 1464 C ILE B 11 -7.367 6.239 -10.782 1.00 0.00 C ATOM 1465 O ILE B 11 -7.751 7.255 -11.368 1.00 0.00 O ATOM 1466 CB ILE B 11 -6.624 7.191 -8.515 1.00 0.00 C ATOM 1467 CG1 ILE B 11 -7.036 8.683 -8.680 1.00 0.00 C ATOM 1468 CG2 ILE B 11 -5.110 7.057 -8.924 1.00 0.00 C ATOM 1469 CD1 ILE B 11 -8.438 9.045 -8.163 1.00 0.00 C ATOM 0 H ILE B 11 -6.786 4.943 -7.627 1.00 0.00 H new ATOM 0 HA ILE B 11 -8.654 6.241 -9.079 1.00 0.00 H new ATOM 0 HB ILE B 11 -6.754 6.929 -7.465 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -6.305 9.303 -8.160 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -6.980 8.942 -9.737 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.526 7.823 -8.413 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -4.742 6.071 -8.640 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -5.012 7.184 -10.002 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -8.623 10.107 -8.327 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -9.186 8.460 -8.698 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -8.501 8.826 -7.097 1.00 0.00 H new ATOM 1481 N ARG B 12 -6.651 5.267 -11.394 1.00 0.00 N ATOM 1482 CA ARG B 12 -6.132 5.258 -12.791 1.00 0.00 C ATOM 1483 C ARG B 12 -6.940 5.930 -13.936 1.00 0.00 C ATOM 1484 O ARG B 12 -6.359 6.615 -14.780 1.00 0.00 O ATOM 1485 CB ARG B 12 -5.927 3.770 -13.139 1.00 0.00 C ATOM 1486 CG ARG B 12 -7.198 2.886 -13.181 1.00 0.00 C ATOM 1487 CD ARG B 12 -6.888 1.376 -13.320 1.00 0.00 C ATOM 1488 NE ARG B 12 -8.075 0.476 -13.263 1.00 0.00 N ATOM 1489 CZ ARG B 12 -8.875 0.185 -14.308 1.00 0.00 C ATOM 1490 NH1 ARG B 12 -8.735 0.708 -15.525 1.00 0.00 N ATOM 1491 NH2 ARG B 12 -9.862 -0.670 -14.113 1.00 0.00 N ATOM 0 H ARG B 12 -6.402 4.411 -10.898 1.00 0.00 H new ATOM 0 HA ARG B 12 -5.246 5.893 -12.761 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -5.439 3.712 -14.112 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -5.238 3.342 -12.411 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -7.776 3.049 -12.271 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -7.823 3.200 -14.017 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -6.374 1.213 -14.267 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -6.196 1.089 -12.528 1.00 0.00 H new ATOM 0 HE ARG B 12 -8.299 0.048 -12.365 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -7.985 1.374 -15.711 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -9.378 0.443 -16.271 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -10.000 -1.088 -13.193 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -10.486 -0.912 -14.882 1.00 0.00 H new