USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 502 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 108 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.453) 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= -0.325 X(o=-0.32,f=-0.089) USER MOD Single : A 127 LYS NZ :NH3+ -146:sc= 0.0436 (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=0.32) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 158 SER OG : rot 180:sc= -0.0211 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+ -172:sc= 0 (180deg=-0.0136) USER MOD ----------------------------------------------------------------- ATOM 199 N ILE A 106 -5.697 -1.956 -14.871 1.00 0.00 N ATOM 200 CA ILE A 106 -4.634 -2.056 -13.810 1.00 0.00 C ATOM 201 C ILE A 106 -3.161 -1.977 -14.352 1.00 0.00 C ATOM 202 O ILE A 106 -2.348 -1.309 -13.701 1.00 0.00 O ATOM 203 CB ILE A 106 -4.817 -3.275 -12.822 1.00 0.00 C ATOM 204 CG1 ILE A 106 -5.130 -4.648 -13.489 1.00 0.00 C ATOM 205 CG2 ILE A 106 -5.839 -2.938 -11.708 1.00 0.00 C ATOM 206 CD1 ILE A 106 -5.112 -5.879 -12.565 1.00 0.00 C ATOM 0 HA ILE A 106 -4.793 -1.151 -13.224 1.00 0.00 H new ATOM 0 HB ILE A 106 -3.831 -3.418 -12.380 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -6.114 -4.585 -13.955 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.408 -4.811 -14.289 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -5.946 -3.794 -11.042 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -5.487 -2.077 -11.139 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.804 -2.705 -12.158 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.344 -6.772 -13.145 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -4.124 -5.984 -12.117 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -5.855 -5.754 -11.778 1.00 0.00 H new ATOM 218 N LEU A 107 -2.804 -2.575 -15.517 1.00 0.00 N ATOM 219 CA LEU A 107 -1.477 -2.318 -16.160 1.00 0.00 C ATOM 220 C LEU A 107 -1.326 -0.858 -16.706 1.00 0.00 C ATOM 221 O LEU A 107 -0.239 -0.304 -16.565 1.00 0.00 O ATOM 222 CB LEU A 107 -1.093 -3.344 -17.262 1.00 0.00 C ATOM 223 CG LEU A 107 0.441 -3.364 -17.561 1.00 0.00 C ATOM 224 CD1 LEU A 107 1.232 -4.263 -16.594 1.00 0.00 C ATOM 225 CD2 LEU A 107 0.760 -3.725 -19.013 1.00 0.00 C ATOM 0 H LEU A 107 -3.399 -3.227 -16.027 1.00 0.00 H new ATOM 0 HA LEU A 107 -0.769 -2.449 -15.341 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.411 -4.339 -16.952 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.634 -3.107 -18.178 1.00 0.00 H new ATOM 0 HG LEU A 107 0.770 -2.338 -17.396 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.290 -4.234 -16.854 1.00 0.00 H new ATOM 0 HD12 LEU A 107 1.099 -3.905 -15.573 1.00 0.00 H new ATOM 0 HD13 LEU A 107 0.868 -5.288 -16.669 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.840 -3.723 -19.160 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.366 -4.716 -19.237 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.302 -2.994 -19.679 1.00 0.00 H new ATOM 237 N LYS A 108 -2.368 -0.230 -17.292 1.00 0.00 N ATOM 238 CA LYS A 108 -2.376 1.231 -17.618 1.00 0.00 C ATOM 239 C LYS A 108 -2.011 2.180 -16.427 1.00 0.00 C ATOM 240 O LYS A 108 -1.220 3.110 -16.601 1.00 0.00 O ATOM 241 CB LYS A 108 -3.758 1.534 -18.239 1.00 0.00 C ATOM 242 CG LYS A 108 -3.786 2.639 -19.316 1.00 0.00 C ATOM 243 CD LYS A 108 -3.580 4.104 -18.874 1.00 0.00 C ATOM 244 CE LYS A 108 -4.697 4.675 -17.978 1.00 0.00 C ATOM 245 NZ LYS A 108 -4.447 6.079 -17.614 1.00 0.00 N ATOM 0 H LYS A 108 -3.228 -0.710 -17.555 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.573 1.444 -18.324 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -4.146 0.615 -18.679 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.440 1.817 -17.438 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.018 2.404 -20.052 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -4.747 2.579 -19.828 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.633 4.177 -18.340 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -3.493 4.728 -19.764 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -5.653 4.599 -18.497 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -4.778 4.074 -17.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -4.431 6.172 -16.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -3.531 6.380 -18.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -5.202 6.678 -18.004 1.00 0.00 H new ATOM 259 N ALA A 109 -2.543 1.895 -15.227 1.00 0.00 N ATOM 260 CA ALA A 109 -2.124 2.533 -13.953 1.00 0.00 C ATOM 261 C ALA A 109 -0.632 2.276 -13.534 1.00 0.00 C ATOM 262 O ALA A 109 0.056 3.215 -13.117 1.00 0.00 O ATOM 263 CB ALA A 109 -3.137 2.058 -12.909 1.00 0.00 C ATOM 0 H ALA A 109 -3.286 1.207 -15.105 1.00 0.00 H new ATOM 0 HA ALA A 109 -2.131 3.617 -14.062 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.890 2.491 -11.939 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -4.138 2.374 -13.203 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.105 0.971 -12.840 1.00 0.00 H new ATOM 269 N PHE A 110 -0.120 1.024 -13.657 1.00 0.00 N ATOM 270 CA PHE A 110 1.347 0.717 -13.580 1.00 0.00 C ATOM 271 C PHE A 110 2.161 1.517 -14.684 1.00 0.00 C ATOM 272 O PHE A 110 3.309 1.874 -14.438 1.00 0.00 O ATOM 273 CB PHE A 110 1.533 -0.830 -13.641 1.00 0.00 C ATOM 274 CG PHE A 110 2.990 -1.331 -13.519 1.00 0.00 C ATOM 275 CD1 PHE A 110 3.531 -1.615 -12.263 1.00 0.00 C ATOM 276 CD2 PHE A 110 3.830 -1.341 -14.639 1.00 0.00 C ATOM 277 CE1 PHE A 110 4.913 -1.740 -12.106 1.00 0.00 C ATOM 278 CE2 PHE A 110 5.208 -1.496 -14.483 1.00 0.00 C ATOM 279 CZ PHE A 110 5.750 -1.673 -13.216 1.00 0.00 C ATOM 0 H PHE A 110 -0.701 0.200 -13.811 1.00 0.00 H new ATOM 0 HA PHE A 110 1.764 1.059 -12.633 1.00 0.00 H new ATOM 0 HB2 PHE A 110 0.944 -1.281 -12.842 1.00 0.00 H new ATOM 0 HB3 PHE A 110 1.121 -1.191 -14.583 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.879 -1.738 -11.411 1.00 0.00 H new ATOM 0 HD2 PHE A 110 3.410 -1.228 -15.628 1.00 0.00 H new ATOM 0 HE1 PHE A 110 5.333 -1.889 -11.122 1.00 0.00 H new ATOM 0 HE2 PHE A 110 5.854 -1.478 -15.348 1.00 0.00 H new ATOM 0 HZ PHE A 110 6.820 -1.758 -13.093 1.00 0.00 H new ATOM 289 N LYS A 111 1.601 1.809 -15.883 1.00 0.00 N ATOM 290 CA LYS A 111 2.175 2.794 -16.842 1.00 0.00 C ATOM 291 C LYS A 111 2.144 4.272 -16.328 1.00 0.00 C ATOM 292 O LYS A 111 3.072 5.016 -16.654 1.00 0.00 O ATOM 293 CB LYS A 111 1.423 2.712 -18.173 1.00 0.00 C ATOM 294 CG LYS A 111 1.657 1.371 -18.892 1.00 0.00 C ATOM 295 CD LYS A 111 0.887 1.266 -20.221 1.00 0.00 C ATOM 296 CE LYS A 111 0.986 -0.118 -20.888 1.00 0.00 C ATOM 297 NZ LYS A 111 0.270 -0.155 -22.176 1.00 0.00 N ATOM 0 H LYS A 111 0.741 1.372 -16.215 1.00 0.00 H new ATOM 0 HA LYS A 111 3.224 2.525 -16.962 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.356 2.845 -17.994 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.742 3.529 -18.820 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.723 1.248 -19.084 1.00 0.00 H new ATOM 0 HG3 LYS A 111 1.355 0.554 -18.236 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -0.163 1.498 -20.041 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.267 2.020 -20.911 1.00 0.00 H new ATOM 0 HE2 LYS A 111 2.034 -0.371 -21.047 1.00 0.00 H new ATOM 0 HE3 LYS A 111 0.573 -0.874 -20.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 0.359 -1.103 -22.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -0.735 0.062 -22.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 0.681 0.549 -22.822 1.00 0.00 H new ATOM 311 N LEU A 112 1.128 4.701 -15.524 1.00 0.00 N ATOM 312 CA LEU A 112 1.166 6.002 -14.772 1.00 0.00 C ATOM 313 C LEU A 112 2.367 6.096 -13.785 1.00 0.00 C ATOM 314 O LEU A 112 2.950 7.180 -13.682 1.00 0.00 O ATOM 315 CB LEU A 112 -0.158 6.401 -14.047 1.00 0.00 C ATOM 316 CG LEU A 112 -1.430 6.477 -14.938 1.00 0.00 C ATOM 317 CD1 LEU A 112 -2.651 6.831 -14.077 1.00 0.00 C ATOM 318 CD2 LEU A 112 -1.313 7.490 -16.100 1.00 0.00 C ATOM 0 H LEU A 112 0.271 4.168 -15.377 1.00 0.00 H new ATOM 0 HA LEU A 112 1.302 6.734 -15.568 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.341 5.683 -13.248 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.011 7.372 -13.575 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.546 5.491 -15.388 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.538 6.883 -14.708 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.792 6.066 -13.314 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.490 7.796 -13.597 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.237 7.489 -16.678 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.139 8.488 -15.697 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.481 7.209 -16.745 1.00 0.00 H new ATOM 330 N PHE A 113 2.770 4.985 -13.117 1.00 0.00 N ATOM 331 CA PHE A 113 4.069 4.915 -12.375 1.00 0.00 C ATOM 332 C PHE A 113 5.291 5.420 -13.237 1.00 0.00 C ATOM 333 O PHE A 113 6.026 6.303 -12.796 1.00 0.00 O ATOM 334 CB PHE A 113 4.449 3.470 -11.882 1.00 0.00 C ATOM 335 CG PHE A 113 3.845 2.715 -10.685 1.00 0.00 C ATOM 336 CD1 PHE A 113 3.574 3.278 -9.430 1.00 0.00 C ATOM 337 CD2 PHE A 113 3.975 1.320 -10.783 1.00 0.00 C ATOM 338 CE1 PHE A 113 3.425 2.443 -8.315 1.00 0.00 C ATOM 339 CE2 PHE A 113 3.872 0.506 -9.664 1.00 0.00 C ATOM 340 CZ PHE A 113 3.547 1.069 -8.453 1.00 0.00 C ATOM 0 H PHE A 113 2.222 4.126 -13.073 1.00 0.00 H new ATOM 0 HA PHE A 113 3.894 5.565 -11.517 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.294 2.820 -12.743 1.00 0.00 H new ATOM 0 HB3 PHE A 113 5.522 3.500 -11.694 1.00 0.00 H new ATOM 0 HD1 PHE A 113 3.481 4.349 -9.323 1.00 0.00 H new ATOM 0 HD2 PHE A 113 4.159 0.872 -11.748 1.00 0.00 H new ATOM 0 HE1 PHE A 113 3.215 2.871 -7.346 1.00 0.00 H new ATOM 0 HE2 PHE A 113 4.045 -0.557 -9.744 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.384 0.432 -7.596 1.00 0.00 H new ATOM 350 N ASP A 114 5.495 4.875 -14.454 1.00 0.00 N ATOM 351 CA ASP A 114 6.700 5.075 -15.269 1.00 0.00 C ATOM 352 C ASP A 114 6.586 6.357 -16.139 1.00 0.00 C ATOM 353 O ASP A 114 6.083 6.338 -17.268 1.00 0.00 O ATOM 354 CB ASP A 114 6.818 3.765 -16.090 1.00 0.00 C ATOM 355 CG ASP A 114 7.496 2.593 -15.364 1.00 0.00 C ATOM 356 OD1 ASP A 114 8.730 2.642 -15.168 1.00 0.00 O ATOM 357 OD2 ASP A 114 6.799 1.625 -14.987 1.00 0.00 O ATOM 0 H ASP A 114 4.807 4.270 -14.903 1.00 0.00 H new ATOM 0 HA ASP A 114 7.601 5.247 -14.680 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.818 3.454 -16.392 1.00 0.00 H new ATOM 0 HB3 ASP A 114 7.375 3.977 -17.003 1.00 0.00 H new ATOM 422 N LYS A 120 9.733 -0.375 -14.594 1.00 0.00 N ATOM 423 CA LYS A 120 10.040 -0.655 -13.168 1.00 0.00 C ATOM 424 C LYS A 120 10.307 0.658 -12.391 1.00 0.00 C ATOM 425 O LYS A 120 10.938 1.571 -12.938 1.00 0.00 O ATOM 426 CB LYS A 120 11.319 -1.497 -13.029 1.00 0.00 C ATOM 427 CG LYS A 120 11.224 -2.949 -13.543 1.00 0.00 C ATOM 428 CD LYS A 120 12.298 -3.871 -12.920 1.00 0.00 C ATOM 429 CE LYS A 120 12.095 -5.380 -13.163 1.00 0.00 C ATOM 430 NZ LYS A 120 12.323 -5.779 -14.566 1.00 0.00 N ATOM 0 HA LYS A 120 9.175 -1.185 -12.769 1.00 0.00 H new ATOM 0 HB2 LYS A 120 12.123 -0.993 -13.565 1.00 0.00 H new ATOM 0 HB3 LYS A 120 11.603 -1.521 -11.977 1.00 0.00 H new ATOM 0 HG2 LYS A 120 10.234 -3.346 -13.318 1.00 0.00 H new ATOM 0 HG3 LYS A 120 11.331 -2.954 -14.628 1.00 0.00 H new ATOM 0 HD2 LYS A 120 13.272 -3.584 -13.315 1.00 0.00 H new ATOM 0 HD3 LYS A 120 12.326 -3.694 -11.845 1.00 0.00 H new ATOM 0 HE2 LYS A 120 12.773 -5.940 -12.518 1.00 0.00 H new ATOM 0 HE3 LYS A 120 11.080 -5.655 -12.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 12.171 -6.803 -14.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 11.660 -5.270 -15.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 13.299 -5.546 -14.839 1.00 0.00 H new ATOM 444 N ILE A 121 9.866 0.750 -11.109 1.00 0.00 N ATOM 445 CA ILE A 121 9.868 2.059 -10.364 1.00 0.00 C ATOM 446 C ILE A 121 10.475 2.098 -8.917 1.00 0.00 C ATOM 447 O ILE A 121 10.789 1.078 -8.301 1.00 0.00 O ATOM 448 CB ILE A 121 8.420 2.678 -10.384 1.00 0.00 C ATOM 449 CG1 ILE A 121 7.243 1.798 -9.899 1.00 0.00 C ATOM 450 CG2 ILE A 121 8.150 3.302 -11.775 1.00 0.00 C ATOM 451 CD1 ILE A 121 7.359 1.273 -8.472 1.00 0.00 C ATOM 0 H ILE A 121 9.510 -0.040 -10.571 1.00 0.00 H new ATOM 0 HA ILE A 121 10.584 2.664 -10.920 1.00 0.00 H new ATOM 0 HB ILE A 121 8.441 3.439 -9.604 1.00 0.00 H new ATOM 0 HG12 ILE A 121 6.322 2.376 -9.981 1.00 0.00 H new ATOM 0 HG13 ILE A 121 7.146 0.947 -10.574 1.00 0.00 H new ATOM 0 HG21 ILE A 121 7.148 3.732 -11.793 1.00 0.00 H new ATOM 0 HG22 ILE A 121 8.884 4.084 -11.972 1.00 0.00 H new ATOM 0 HG23 ILE A 121 8.228 2.531 -12.541 1.00 0.00 H new ATOM 0 HD11 ILE A 121 6.483 0.669 -8.234 1.00 0.00 H new ATOM 0 HD12 ILE A 121 8.257 0.662 -8.381 1.00 0.00 H new ATOM 0 HD13 ILE A 121 7.420 2.112 -7.779 1.00 0.00 H new ATOM 463 N SER A 122 10.591 3.350 -8.405 1.00 0.00 N ATOM 464 CA SER A 122 10.960 3.683 -7.008 1.00 0.00 C ATOM 465 C SER A 122 9.790 4.344 -6.198 1.00 0.00 C ATOM 466 O SER A 122 8.721 4.670 -6.720 1.00 0.00 O ATOM 467 CB SER A 122 12.232 4.569 -7.072 1.00 0.00 C ATOM 468 OG SER A 122 13.335 3.875 -7.650 1.00 0.00 O ATOM 0 H SER A 122 10.425 4.181 -8.973 1.00 0.00 H new ATOM 0 HA SER A 122 11.168 2.769 -6.452 1.00 0.00 H new ATOM 0 HB2 SER A 122 12.021 5.465 -7.655 1.00 0.00 H new ATOM 0 HB3 SER A 122 12.496 4.898 -6.067 1.00 0.00 H new ATOM 0 HG SER A 122 14.117 4.466 -7.675 1.00 0.00 H new ATOM 474 N PHE A 123 10.066 4.530 -4.888 1.00 0.00 N ATOM 475 CA PHE A 123 9.261 5.291 -3.875 1.00 0.00 C ATOM 476 C PHE A 123 8.378 6.494 -4.346 1.00 0.00 C ATOM 477 O PHE A 123 7.169 6.559 -4.070 1.00 0.00 O ATOM 478 CB PHE A 123 10.345 5.696 -2.816 1.00 0.00 C ATOM 479 CG PHE A 123 9.947 6.592 -1.630 1.00 0.00 C ATOM 480 CD1 PHE A 123 9.241 6.068 -0.544 1.00 0.00 C ATOM 481 CD2 PHE A 123 10.319 7.943 -1.620 1.00 0.00 C ATOM 482 CE1 PHE A 123 8.889 6.893 0.521 1.00 0.00 C ATOM 483 CE2 PHE A 123 9.983 8.756 -0.542 1.00 0.00 C ATOM 484 CZ PHE A 123 9.264 8.231 0.527 1.00 0.00 C ATOM 0 H PHE A 123 10.908 4.132 -4.472 1.00 0.00 H new ATOM 0 HA PHE A 123 8.453 4.657 -3.509 1.00 0.00 H new ATOM 0 HB2 PHE A 123 10.760 4.776 -2.405 1.00 0.00 H new ATOM 0 HB3 PHE A 123 11.151 6.199 -3.350 1.00 0.00 H new ATOM 0 HD1 PHE A 123 8.968 5.023 -0.531 1.00 0.00 H new ATOM 0 HD2 PHE A 123 10.869 8.355 -2.453 1.00 0.00 H new ATOM 0 HE1 PHE A 123 8.321 6.491 1.347 1.00 0.00 H new ATOM 0 HE2 PHE A 123 10.280 9.794 -0.535 1.00 0.00 H new ATOM 0 HZ PHE A 123 8.997 8.863 1.361 1.00 0.00 H new ATOM 494 N LYS A 124 9.035 7.447 -5.024 1.00 0.00 N ATOM 495 CA LYS A 124 8.378 8.686 -5.509 1.00 0.00 C ATOM 496 C LYS A 124 7.297 8.498 -6.592 1.00 0.00 C ATOM 497 O LYS A 124 6.286 9.203 -6.551 1.00 0.00 O ATOM 498 CB LYS A 124 9.419 9.664 -6.058 1.00 0.00 C ATOM 499 CG LYS A 124 10.124 10.411 -4.921 1.00 0.00 C ATOM 500 CD LYS A 124 10.996 11.579 -5.415 1.00 0.00 C ATOM 501 CE LYS A 124 11.763 12.224 -4.253 1.00 0.00 C ATOM 502 NZ LYS A 124 12.586 13.362 -4.699 1.00 0.00 N ATOM 0 H LYS A 124 10.027 7.389 -5.254 1.00 0.00 H new ATOM 0 HA LYS A 124 7.870 9.069 -4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 124 10.154 9.122 -6.653 1.00 0.00 H new ATOM 0 HB3 LYS A 124 8.936 10.379 -6.723 1.00 0.00 H new ATOM 0 HG2 LYS A 124 9.376 10.793 -4.226 1.00 0.00 H new ATOM 0 HG3 LYS A 124 10.747 9.710 -4.365 1.00 0.00 H new ATOM 0 HD2 LYS A 124 11.700 11.219 -6.165 1.00 0.00 H new ATOM 0 HD3 LYS A 124 10.368 12.326 -5.900 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.056 12.563 -3.496 1.00 0.00 H new ATOM 0 HE3 LYS A 124 12.402 11.477 -3.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 13.087 13.769 -3.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 13.278 13.035 -5.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 11.974 14.087 -5.126 1.00 0.00 H new ATOM 516 N ASN A 125 7.470 7.543 -7.525 1.00 0.00 N ATOM 517 CA ASN A 125 6.407 7.223 -8.536 1.00 0.00 C ATOM 518 C ASN A 125 5.058 6.749 -7.886 1.00 0.00 C ATOM 519 O ASN A 125 4.014 7.343 -8.220 1.00 0.00 O ATOM 520 CB ASN A 125 6.914 6.270 -9.656 1.00 0.00 C ATOM 521 CG ASN A 125 8.113 6.816 -10.468 1.00 0.00 C ATOM 522 OD1 ASN A 125 7.975 7.736 -11.273 1.00 0.00 O ATOM 523 ND2 ASN A 125 9.309 6.285 -10.265 1.00 0.00 N ATOM 0 H ASN A 125 8.316 6.980 -7.612 1.00 0.00 H new ATOM 0 HA ASN A 125 6.172 8.166 -9.030 1.00 0.00 H new ATOM 0 HB2 ASN A 125 7.199 5.319 -9.205 1.00 0.00 H new ATOM 0 HB3 ASN A 125 6.091 6.064 -10.341 1.00 0.00 H new ATOM 0 HD21 ASN A 125 10.118 6.639 -10.776 1.00 0.00 H new ATOM 0 HD22 ASN A 125 9.422 5.522 -9.597 1.00 0.00 H new ATOM 530 N LEU A 126 5.125 5.795 -6.900 1.00 0.00 N ATOM 531 CA LEU A 126 3.984 5.406 -5.997 1.00 0.00 C ATOM 532 C LEU A 126 3.266 6.682 -5.450 1.00 0.00 C ATOM 533 O LEU A 126 2.157 7.011 -5.886 1.00 0.00 O ATOM 534 CB LEU A 126 4.358 4.512 -4.746 1.00 0.00 C ATOM 535 CG LEU A 126 4.919 3.067 -4.821 1.00 0.00 C ATOM 536 CD1 LEU A 126 6.327 2.960 -5.420 1.00 0.00 C ATOM 537 CD2 LEU A 126 4.950 2.464 -3.397 1.00 0.00 C ATOM 0 H LEU A 126 5.978 5.270 -6.708 1.00 0.00 H new ATOM 0 HA LEU A 126 3.348 4.799 -6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.087 5.087 -4.174 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.454 4.451 -4.140 1.00 0.00 H new ATOM 0 HG LEU A 126 4.253 2.522 -5.490 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.638 1.915 -5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.320 3.350 -6.438 1.00 0.00 H new ATOM 0 HD13 LEU A 126 7.025 3.539 -4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.343 1.448 -3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 126 5.589 3.073 -2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 126 3.940 2.445 -2.988 1.00 0.00 H new ATOM 549 N LYS A 127 3.998 7.433 -4.600 1.00 0.00 N ATOM 550 CA LYS A 127 3.572 8.742 -4.077 1.00 0.00 C ATOM 551 C LYS A 127 3.153 9.864 -5.058 1.00 0.00 C ATOM 552 O LYS A 127 2.530 10.826 -4.615 1.00 0.00 O ATOM 553 CB LYS A 127 4.823 9.308 -3.398 1.00 0.00 C ATOM 554 CG LYS A 127 4.485 10.388 -2.335 1.00 0.00 C ATOM 555 CD LYS A 127 5.673 11.257 -1.862 1.00 0.00 C ATOM 556 CE LYS A 127 6.676 10.577 -0.905 1.00 0.00 C ATOM 557 NZ LYS A 127 7.722 11.522 -0.472 1.00 0.00 N ATOM 0 H LYS A 127 4.912 7.141 -4.255 1.00 0.00 H new ATOM 0 HA LYS A 127 2.678 8.522 -3.493 1.00 0.00 H new ATOM 0 HB2 LYS A 127 5.374 8.496 -2.924 1.00 0.00 H new ATOM 0 HB3 LYS A 127 5.479 9.740 -4.154 1.00 0.00 H new ATOM 0 HG2 LYS A 127 3.717 11.046 -2.743 1.00 0.00 H new ATOM 0 HG3 LYS A 127 4.052 9.893 -1.466 1.00 0.00 H new ATOM 0 HD2 LYS A 127 6.218 11.601 -2.741 1.00 0.00 H new ATOM 0 HD3 LYS A 127 5.274 12.143 -1.368 1.00 0.00 H new ATOM 0 HE2 LYS A 127 6.147 10.191 -0.034 1.00 0.00 H new ATOM 0 HE3 LYS A 127 7.136 9.723 -1.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 8.621 11.013 -0.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 7.839 12.264 -1.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 7.445 11.956 0.432 1.00 0.00 H new ATOM 571 N ARG A 128 3.603 9.836 -6.322 1.00 0.00 N ATOM 572 CA ARG A 128 3.518 11.010 -7.234 1.00 0.00 C ATOM 573 C ARG A 128 2.222 11.060 -8.009 1.00 0.00 C ATOM 574 O ARG A 128 1.442 12.011 -7.880 1.00 0.00 O ATOM 575 CB ARG A 128 4.693 10.984 -8.214 1.00 0.00 C ATOM 576 CG ARG A 128 5.882 11.804 -7.686 1.00 0.00 C ATOM 577 CD ARG A 128 5.772 13.315 -7.991 1.00 0.00 C ATOM 578 NE ARG A 128 6.877 14.092 -7.372 1.00 0.00 N ATOM 579 CZ ARG A 128 6.993 15.433 -7.433 1.00 0.00 C ATOM 580 NH1 ARG A 128 6.128 16.228 -8.061 1.00 0.00 N ATOM 581 NH2 ARG A 128 8.028 15.993 -6.835 1.00 0.00 N ATOM 0 H ARG A 128 4.033 9.014 -6.746 1.00 0.00 H new ATOM 0 HA ARG A 128 3.556 11.902 -6.609 1.00 0.00 H new ATOM 0 HB2 ARG A 128 5.006 9.953 -8.382 1.00 0.00 H new ATOM 0 HB3 ARG A 128 4.374 11.382 -9.178 1.00 0.00 H new ATOM 0 HG2 ARG A 128 5.960 11.664 -6.608 1.00 0.00 H new ATOM 0 HG3 ARG A 128 6.802 11.419 -8.125 1.00 0.00 H new ATOM 0 HD2 ARG A 128 5.782 13.468 -9.070 1.00 0.00 H new ATOM 0 HD3 ARG A 128 4.816 13.690 -7.625 1.00 0.00 H new ATOM 0 HE ARG A 128 7.597 13.575 -6.867 1.00 0.00 H new ATOM 0 HH11 ARG A 128 5.318 15.827 -8.534 1.00 0.00 H new ATOM 0 HH12 ARG A 128 6.276 17.237 -8.069 1.00 0.00 H new ATOM 0 HH21 ARG A 128 8.710 15.413 -6.346 1.00 0.00 H new ATOM 0 HH22 ARG A 128 8.146 17.006 -6.862 1.00 0.00 H new ATOM 595 N VAL A 129 1.995 10.008 -8.795 1.00 0.00 N ATOM 596 CA VAL A 129 0.662 9.782 -9.406 1.00 0.00 C ATOM 597 C VAL A 129 -0.427 9.457 -8.331 1.00 0.00 C ATOM 598 O VAL A 129 -1.561 9.915 -8.508 1.00 0.00 O ATOM 599 CB VAL A 129 0.844 8.782 -10.572 1.00 0.00 C ATOM 600 CG1 VAL A 129 1.287 9.540 -11.813 1.00 0.00 C ATOM 601 CG2 VAL A 129 1.839 7.619 -10.371 1.00 0.00 C ATOM 0 H VAL A 129 2.695 9.304 -9.028 1.00 0.00 H new ATOM 0 HA VAL A 129 0.249 10.687 -9.851 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.136 8.313 -10.653 1.00 0.00 H new ATOM 0 HG11 VAL A 129 1.417 8.841 -12.639 1.00 0.00 H new ATOM 0 HG12 VAL A 129 0.530 10.278 -12.078 1.00 0.00 H new ATOM 0 HG13 VAL A 129 2.232 10.045 -11.613 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.862 7.001 -11.269 1.00 0.00 H new ATOM 0 HG22 VAL A 129 2.834 8.020 -10.181 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.524 7.013 -9.521 1.00 0.00 H new ATOM 611 N ALA A 130 -0.121 8.712 -7.230 1.00 0.00 N ATOM 612 CA ALA A 130 -1.068 8.645 -6.057 1.00 0.00 C ATOM 613 C ALA A 130 -1.199 9.998 -5.280 1.00 0.00 C ATOM 614 O ALA A 130 -2.223 10.275 -4.654 1.00 0.00 O ATOM 615 CB ALA A 130 -0.716 7.531 -5.056 1.00 0.00 C ATOM 0 H ALA A 130 0.735 8.167 -7.122 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.029 8.416 -6.517 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -1.435 7.537 -4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -0.748 6.565 -5.560 1.00 0.00 H new ATOM 0 HB3 ALA A 130 0.286 7.700 -4.661 1.00 0.00 H new ATOM 621 N LYS A 131 -0.146 10.824 -5.381 1.00 0.00 N ATOM 622 CA LYS A 131 -0.146 12.249 -4.922 1.00 0.00 C ATOM 623 C LYS A 131 -1.159 13.195 -5.634 1.00 0.00 C ATOM 624 O LYS A 131 -1.737 14.051 -4.958 1.00 0.00 O ATOM 625 CB LYS A 131 1.267 12.859 -5.003 1.00 0.00 C ATOM 626 CG LYS A 131 1.394 14.066 -4.048 1.00 0.00 C ATOM 627 CD LYS A 131 2.777 14.767 -3.992 1.00 0.00 C ATOM 628 CE LYS A 131 3.092 15.825 -5.080 1.00 0.00 C ATOM 629 NZ LYS A 131 2.264 17.041 -4.970 1.00 0.00 N ATOM 0 H LYS A 131 0.744 10.533 -5.785 1.00 0.00 H new ATOM 0 HA LYS A 131 -0.484 12.184 -3.888 1.00 0.00 H new ATOM 0 HB2 LYS A 131 2.010 12.104 -4.745 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.475 13.174 -6.026 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.648 14.807 -4.335 1.00 0.00 H new ATOM 0 HG3 LYS A 131 1.141 13.732 -3.042 1.00 0.00 H new ATOM 0 HD2 LYS A 131 2.870 15.249 -3.019 1.00 0.00 H new ATOM 0 HD3 LYS A 131 3.546 13.996 -4.041 1.00 0.00 H new ATOM 0 HE2 LYS A 131 4.144 16.103 -5.013 1.00 0.00 H new ATOM 0 HE3 LYS A 131 2.942 15.380 -6.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 2.524 17.707 -5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 1.260 16.787 -5.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 2.424 17.487 -4.044 1.00 0.00 H new ATOM 643 N GLU A 132 -1.380 13.049 -6.961 1.00 0.00 N ATOM 644 CA GLU A 132 -2.492 13.737 -7.705 1.00 0.00 C ATOM 645 C GLU A 132 -3.888 13.653 -7.009 1.00 0.00 C ATOM 646 O GLU A 132 -4.576 14.669 -6.875 1.00 0.00 O ATOM 647 CB GLU A 132 -2.651 13.195 -9.152 1.00 0.00 C ATOM 648 CG GLU A 132 -1.413 13.272 -10.080 1.00 0.00 C ATOM 649 CD GLU A 132 -1.540 12.443 -11.368 1.00 0.00 C ATOM 650 OE1 GLU A 132 -1.848 11.232 -11.292 1.00 0.00 O ATOM 651 OE2 GLU A 132 -1.323 13.001 -12.466 1.00 0.00 O ATOM 0 H GLU A 132 -0.802 12.456 -7.556 1.00 0.00 H new ATOM 0 HA GLU A 132 -2.180 14.781 -7.715 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -2.961 12.152 -9.089 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -3.465 13.741 -9.629 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -1.237 14.314 -10.347 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -0.537 12.933 -9.528 1.00 0.00 H new ATOM 658 N LEU A 133 -4.259 12.444 -6.539 1.00 0.00 N ATOM 659 CA LEU A 133 -5.413 12.230 -5.617 1.00 0.00 C ATOM 660 C LEU A 133 -5.208 12.958 -4.242 1.00 0.00 C ATOM 661 O LEU A 133 -6.046 13.782 -3.865 1.00 0.00 O ATOM 662 CB LEU A 133 -5.643 10.687 -5.490 1.00 0.00 C ATOM 663 CG LEU A 133 -6.552 10.146 -4.348 1.00 0.00 C ATOM 664 CD1 LEU A 133 -8.010 10.632 -4.436 1.00 0.00 C ATOM 665 CD2 LEU A 133 -6.501 8.607 -4.279 1.00 0.00 C ATOM 0 H LEU A 133 -3.771 11.582 -6.784 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.318 12.682 -6.023 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -6.061 10.339 -6.435 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -4.665 10.217 -5.381 1.00 0.00 H new ATOM 0 HG LEU A 133 -6.144 10.560 -3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -8.583 10.215 -3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -8.035 11.720 -4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -8.446 10.305 -5.380 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -7.145 8.257 -3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -6.845 8.189 -5.225 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -5.477 8.285 -4.091 1.00 0.00 H new ATOM 773 N GLU A 141 5.005 5.252 6.342 1.00 0.00 N ATOM 774 CA GLU A 141 4.285 4.003 5.945 1.00 0.00 C ATOM 775 C GLU A 141 4.601 3.478 4.512 1.00 0.00 C ATOM 776 O GLU A 141 4.811 2.275 4.326 1.00 0.00 O ATOM 777 CB GLU A 141 2.754 4.223 6.047 1.00 0.00 C ATOM 778 CG GLU A 141 2.205 4.436 7.477 1.00 0.00 C ATOM 779 CD GLU A 141 0.695 4.697 7.511 1.00 0.00 C ATOM 780 OE1 GLU A 141 0.276 5.861 7.328 1.00 0.00 O ATOM 781 OE2 GLU A 141 -0.079 3.738 7.726 1.00 0.00 O ATOM 0 HA GLU A 141 4.644 3.245 6.641 1.00 0.00 H new ATOM 0 HB2 GLU A 141 2.488 5.090 5.442 1.00 0.00 H new ATOM 0 HB3 GLU A 141 2.251 3.361 5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 141 2.429 3.556 8.080 1.00 0.00 H new ATOM 0 HG3 GLU A 141 2.723 5.278 7.937 1.00 0.00 H new ATOM 788 N LEU A 142 4.647 4.380 3.513 1.00 0.00 N ATOM 789 CA LEU A 142 5.018 4.035 2.114 1.00 0.00 C ATOM 790 C LEU A 142 6.547 3.669 1.932 1.00 0.00 C ATOM 791 O LEU A 142 6.846 2.815 1.091 1.00 0.00 O ATOM 792 CB LEU A 142 4.361 5.112 1.187 1.00 0.00 C ATOM 793 CG LEU A 142 5.217 6.179 0.467 1.00 0.00 C ATOM 794 CD1 LEU A 142 5.830 5.587 -0.809 1.00 0.00 C ATOM 795 CD2 LEU A 142 4.394 7.416 0.059 1.00 0.00 C ATOM 0 H LEU A 142 4.430 5.368 3.645 1.00 0.00 H new ATOM 0 HA LEU A 142 4.606 3.079 1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 142 3.809 4.574 0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 142 3.628 5.647 1.791 1.00 0.00 H new ATOM 0 HG LEU A 142 5.988 6.485 1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 142 6.431 6.346 -1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 142 6.461 4.737 -0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 142 5.034 5.257 -1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 142 5.042 8.135 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 142 3.594 7.114 -0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 142 3.963 7.875 0.948 1.00 0.00 H new ATOM 807 N GLN A 143 7.510 4.226 2.713 1.00 0.00 N ATOM 808 CA GLN A 143 8.913 3.748 2.783 1.00 0.00 C ATOM 809 C GLN A 143 9.058 2.329 3.427 1.00 0.00 C ATOM 810 O GLN A 143 9.849 1.509 2.951 1.00 0.00 O ATOM 811 CB GLN A 143 9.621 4.857 3.594 1.00 0.00 C ATOM 812 CG GLN A 143 11.120 4.718 3.832 1.00 0.00 C ATOM 813 CD GLN A 143 12.025 4.681 2.587 1.00 0.00 C ATOM 814 OE1 GLN A 143 11.759 5.296 1.554 1.00 0.00 O ATOM 815 NE2 GLN A 143 13.137 3.973 2.679 1.00 0.00 N ATOM 0 H GLN A 143 7.330 5.028 3.317 1.00 0.00 H new ATOM 0 HA GLN A 143 9.351 3.600 1.796 1.00 0.00 H new ATOM 0 HB2 GLN A 143 9.450 5.805 3.085 1.00 0.00 H new ATOM 0 HB3 GLN A 143 9.133 4.924 4.566 1.00 0.00 H new ATOM 0 HG2 GLN A 143 11.442 5.549 4.460 1.00 0.00 H new ATOM 0 HG3 GLN A 143 11.289 3.804 4.401 1.00 0.00 H new ATOM 0 HE21 GLN A 143 13.350 3.467 3.539 1.00 0.00 H new ATOM 0 HE22 GLN A 143 13.783 3.933 1.891 1.00 0.00 H new ATOM 824 N GLU A 144 8.283 2.035 4.493 1.00 0.00 N ATOM 825 CA GLU A 144 8.129 0.650 5.022 1.00 0.00 C ATOM 826 C GLU A 144 7.600 -0.366 3.966 1.00 0.00 C ATOM 827 O GLU A 144 8.116 -1.481 3.902 1.00 0.00 O ATOM 828 CB GLU A 144 7.145 0.643 6.225 1.00 0.00 C ATOM 829 CG GLU A 144 7.646 1.206 7.577 1.00 0.00 C ATOM 830 CD GLU A 144 6.510 1.519 8.560 1.00 0.00 C ATOM 831 OE1 GLU A 144 5.943 0.573 9.151 1.00 0.00 O ATOM 832 OE2 GLU A 144 6.183 2.711 8.748 1.00 0.00 O ATOM 0 H GLU A 144 7.751 2.735 5.009 1.00 0.00 H new ATOM 0 HA GLU A 144 9.130 0.336 5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 144 6.259 1.209 5.935 1.00 0.00 H new ATOM 0 HB3 GLU A 144 6.826 -0.386 6.390 1.00 0.00 H new ATOM 0 HG2 GLU A 144 8.325 0.486 8.034 1.00 0.00 H new ATOM 0 HG3 GLU A 144 8.220 2.114 7.395 1.00 0.00 H new ATOM 839 N MET A 145 6.631 0.038 3.122 1.00 0.00 N ATOM 840 CA MET A 145 6.174 -0.753 1.941 1.00 0.00 C ATOM 841 C MET A 145 7.266 -1.054 0.874 1.00 0.00 C ATOM 842 O MET A 145 7.413 -2.227 0.516 1.00 0.00 O ATOM 843 CB MET A 145 4.917 -0.073 1.340 1.00 0.00 C ATOM 844 CG MET A 145 3.668 -0.171 2.230 1.00 0.00 C ATOM 845 SD MET A 145 3.342 -1.907 2.639 1.00 0.00 S ATOM 846 CE MET A 145 3.631 -1.949 4.421 1.00 0.00 C ATOM 0 H MET A 145 6.136 0.923 3.232 1.00 0.00 H new ATOM 0 HA MET A 145 5.921 -1.749 2.304 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.138 0.978 1.156 1.00 0.00 H new ATOM 0 HB3 MET A 145 4.698 -0.526 0.373 1.00 0.00 H new ATOM 0 HG2 MET A 145 3.814 0.406 3.143 1.00 0.00 H new ATOM 0 HG3 MET A 145 2.809 0.259 1.715 1.00 0.00 H new ATOM 0 HE1 MET A 145 3.464 -2.960 4.793 1.00 0.00 H new ATOM 0 HE2 MET A 145 4.658 -1.651 4.630 1.00 0.00 H new ATOM 0 HE3 MET A 145 2.946 -1.262 4.917 1.00 0.00 H new ATOM 856 N ILE A 146 8.059 -0.066 0.407 1.00 0.00 N ATOM 857 CA ILE A 146 9.199 -0.341 -0.531 1.00 0.00 C ATOM 858 C ILE A 146 10.297 -1.321 0.031 1.00 0.00 C ATOM 859 O ILE A 146 10.783 -2.186 -0.701 1.00 0.00 O ATOM 860 CB ILE A 146 9.785 1.000 -1.120 1.00 0.00 C ATOM 861 CG1 ILE A 146 10.421 0.799 -2.526 1.00 0.00 C ATOM 862 CG2 ILE A 146 10.809 1.743 -0.226 1.00 0.00 C ATOM 863 CD1 ILE A 146 9.434 0.503 -3.661 1.00 0.00 C ATOM 0 H ILE A 146 7.945 0.918 0.652 1.00 0.00 H new ATOM 0 HA ILE A 146 8.776 -0.904 -1.363 1.00 0.00 H new ATOM 0 HB ILE A 146 8.900 1.633 -1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 146 10.984 1.696 -2.782 1.00 0.00 H new ATOM 0 HG13 ILE A 146 11.137 -0.021 -2.468 1.00 0.00 H new ATOM 0 HG21 ILE A 146 11.143 2.649 -0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 146 10.340 2.008 0.721 1.00 0.00 H new ATOM 0 HG23 ILE A 146 11.665 1.095 -0.038 1.00 0.00 H new ATOM 0 HD11 ILE A 146 9.981 0.380 -4.596 1.00 0.00 H new ATOM 0 HD12 ILE A 146 8.887 -0.413 -3.438 1.00 0.00 H new ATOM 0 HD13 ILE A 146 8.732 1.331 -3.757 1.00 0.00 H new ATOM 875 N ASP A 147 10.624 -1.195 1.329 1.00 0.00 N ATOM 876 CA ASP A 147 11.469 -2.169 2.081 1.00 0.00 C ATOM 877 C ASP A 147 10.852 -3.600 2.255 1.00 0.00 C ATOM 878 O ASP A 147 11.587 -4.583 2.125 1.00 0.00 O ATOM 879 CB ASP A 147 11.876 -1.580 3.460 1.00 0.00 C ATOM 880 CG ASP A 147 12.740 -0.303 3.444 1.00 0.00 C ATOM 881 OD1 ASP A 147 13.775 -0.276 2.741 1.00 0.00 O ATOM 882 OD2 ASP A 147 12.391 0.671 4.147 1.00 0.00 O ATOM 0 H ASP A 147 10.311 -0.410 1.901 1.00 0.00 H new ATOM 0 HA ASP A 147 12.350 -2.319 1.457 1.00 0.00 H new ATOM 0 HB2 ASP A 147 10.966 -1.367 4.020 1.00 0.00 H new ATOM 0 HB3 ASP A 147 12.417 -2.349 4.011 1.00 0.00 H new ATOM 887 N GLU A 148 9.533 -3.727 2.529 1.00 0.00 N ATOM 888 CA GLU A 148 8.777 -4.999 2.539 1.00 0.00 C ATOM 889 C GLU A 148 8.851 -5.829 1.232 1.00 0.00 C ATOM 890 O GLU A 148 9.177 -7.019 1.290 1.00 0.00 O ATOM 891 CB GLU A 148 7.292 -4.610 2.807 1.00 0.00 C ATOM 892 CG GLU A 148 6.703 -4.850 4.209 1.00 0.00 C ATOM 893 CD GLU A 148 7.287 -4.037 5.370 1.00 0.00 C ATOM 894 OE1 GLU A 148 8.449 -4.286 5.762 1.00 0.00 O ATOM 895 OE2 GLU A 148 6.584 -3.150 5.902 1.00 0.00 O ATOM 0 H GLU A 148 8.949 -2.922 2.756 1.00 0.00 H new ATOM 0 HA GLU A 148 9.219 -5.643 3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 148 7.183 -3.549 2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 148 6.674 -5.154 2.092 1.00 0.00 H new ATOM 0 HG2 GLU A 148 5.633 -4.650 4.163 1.00 0.00 H new ATOM 0 HG3 GLU A 148 6.820 -5.907 4.446 1.00 0.00 H new ATOM 902 N ALA A 149 8.469 -5.221 0.092 1.00 0.00 N ATOM 903 CA ALA A 149 8.354 -5.957 -1.194 1.00 0.00 C ATOM 904 C ALA A 149 9.693 -6.145 -1.962 1.00 0.00 C ATOM 905 O ALA A 149 9.880 -7.210 -2.559 1.00 0.00 O ATOM 906 CB ALA A 149 7.271 -5.297 -2.052 1.00 0.00 C ATOM 0 H ALA A 149 8.235 -4.230 0.029 1.00 0.00 H new ATOM 0 HA ALA A 149 8.061 -6.979 -0.954 1.00 0.00 H new ATOM 0 HB1 ALA A 149 7.180 -5.831 -2.998 1.00 0.00 H new ATOM 0 HB2 ALA A 149 6.318 -5.330 -1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 149 7.543 -4.259 -2.246 1.00 0.00 H new ATOM 1001 N VAL A 157 10.834 -2.067 -8.791 1.00 0.00 N ATOM 1002 CA VAL A 157 9.744 -3.045 -8.739 1.00 0.00 C ATOM 1003 C VAL A 157 9.094 -3.299 -10.133 1.00 0.00 C ATOM 1004 O VAL A 157 9.207 -2.467 -11.040 1.00 0.00 O ATOM 1005 CB VAL A 157 8.763 -2.505 -7.625 1.00 0.00 C ATOM 1006 CG1 VAL A 157 9.235 -1.594 -6.456 1.00 0.00 C ATOM 1007 CG2 VAL A 157 7.318 -2.145 -8.051 1.00 0.00 C ATOM 0 HA VAL A 157 10.091 -4.044 -8.474 1.00 0.00 H new ATOM 0 HB VAL A 157 8.780 -3.487 -7.153 1.00 0.00 H new ATOM 0 HG11 VAL A 157 8.385 -1.351 -5.818 1.00 0.00 H new ATOM 0 HG12 VAL A 157 9.991 -2.117 -5.870 1.00 0.00 H new ATOM 0 HG13 VAL A 157 9.660 -0.675 -6.860 1.00 0.00 H new ATOM 0 HG21 VAL A 157 6.761 -1.789 -7.184 1.00 0.00 H new ATOM 0 HG22 VAL A 157 7.347 -1.363 -8.810 1.00 0.00 H new ATOM 0 HG23 VAL A 157 6.828 -3.029 -8.459 1.00 0.00 H new ATOM 1017 N SER A 158 8.433 -4.467 -10.274 1.00 0.00 N ATOM 1018 CA SER A 158 7.869 -4.954 -11.554 1.00 0.00 C ATOM 1019 C SER A 158 6.338 -4.728 -11.619 1.00 0.00 C ATOM 1020 O SER A 158 5.684 -4.322 -10.650 1.00 0.00 O ATOM 1021 CB SER A 158 8.182 -6.493 -11.671 1.00 0.00 C ATOM 1022 OG SER A 158 7.415 -7.270 -10.755 1.00 0.00 O ATOM 0 H SER A 158 8.273 -5.106 -9.495 1.00 0.00 H new ATOM 0 HA SER A 158 8.319 -4.400 -12.378 1.00 0.00 H new ATOM 0 HB2 SER A 158 7.978 -6.827 -12.688 1.00 0.00 H new ATOM 0 HB3 SER A 158 9.243 -6.661 -11.487 1.00 0.00 H new ATOM 0 HG SER A 158 7.639 -8.218 -10.863 1.00 0.00 H new ATOM 1028 N GLU A 159 5.779 -5.081 -12.792 1.00 0.00 N ATOM 1029 CA GLU A 159 4.300 -5.207 -13.000 1.00 0.00 C ATOM 1030 C GLU A 159 3.541 -5.997 -11.888 1.00 0.00 C ATOM 1031 O GLU A 159 2.449 -5.594 -11.483 1.00 0.00 O ATOM 1032 CB GLU A 159 3.946 -5.770 -14.400 1.00 0.00 C ATOM 1033 CG GLU A 159 4.467 -7.149 -14.871 1.00 0.00 C ATOM 1034 CD GLU A 159 3.873 -7.553 -16.226 1.00 0.00 C ATOM 1035 OE1 GLU A 159 2.780 -8.162 -16.249 1.00 0.00 O ATOM 1036 OE2 GLU A 159 4.494 -7.260 -17.272 1.00 0.00 O ATOM 0 H GLU A 159 6.326 -5.289 -13.627 1.00 0.00 H new ATOM 0 HA GLU A 159 3.944 -4.179 -12.932 1.00 0.00 H new ATOM 0 HB2 GLU A 159 2.858 -5.804 -14.462 1.00 0.00 H new ATOM 0 HB3 GLU A 159 4.285 -5.036 -15.132 1.00 0.00 H new ATOM 0 HG2 GLU A 159 5.554 -7.120 -14.945 1.00 0.00 H new ATOM 0 HG3 GLU A 159 4.218 -7.905 -14.126 1.00 0.00 H new ATOM 1043 N GLN A 160 4.174 -7.069 -11.380 1.00 0.00 N ATOM 1044 CA GLN A 160 3.648 -7.899 -10.262 1.00 0.00 C ATOM 1045 C GLN A 160 3.403 -7.213 -8.878 1.00 0.00 C ATOM 1046 O GLN A 160 2.735 -7.847 -8.060 1.00 0.00 O ATOM 1047 CB GLN A 160 4.579 -9.122 -10.038 1.00 0.00 C ATOM 1048 CG GLN A 160 4.645 -10.146 -11.195 1.00 0.00 C ATOM 1049 CD GLN A 160 5.506 -11.374 -10.856 1.00 0.00 C ATOM 1050 OE1 GLN A 160 6.735 -11.328 -10.913 1.00 0.00 O ATOM 1051 NE2 GLN A 160 4.888 -12.492 -10.503 1.00 0.00 N ATOM 0 H GLN A 160 5.075 -7.394 -11.732 1.00 0.00 H new ATOM 0 HA GLN A 160 2.649 -8.161 -10.611 1.00 0.00 H new ATOM 0 HB2 GLN A 160 5.587 -8.755 -9.846 1.00 0.00 H new ATOM 0 HB3 GLN A 160 4.252 -9.642 -9.137 1.00 0.00 H new ATOM 0 HG2 GLN A 160 3.635 -10.473 -11.442 1.00 0.00 H new ATOM 0 HG3 GLN A 160 5.049 -9.659 -12.083 1.00 0.00 H new ATOM 0 HE21 GLN A 160 3.869 -12.520 -10.459 1.00 0.00 H new ATOM 0 HE22 GLN A 160 5.431 -13.325 -10.275 1.00 0.00 H new ATOM 1060 N GLU A 161 3.902 -5.996 -8.573 1.00 0.00 N ATOM 1061 CA GLU A 161 3.619 -5.336 -7.260 1.00 0.00 C ATOM 1062 C GLU A 161 2.349 -4.446 -7.252 1.00 0.00 C ATOM 1063 O GLU A 161 1.491 -4.690 -6.400 1.00 0.00 O ATOM 1064 CB GLU A 161 4.849 -4.591 -6.714 1.00 0.00 C ATOM 1065 CG GLU A 161 5.981 -5.543 -6.246 1.00 0.00 C ATOM 1066 CD GLU A 161 7.160 -4.913 -5.499 1.00 0.00 C ATOM 1067 OE1 GLU A 161 7.037 -3.794 -4.960 1.00 0.00 O ATOM 1068 OE2 GLU A 161 8.232 -5.556 -5.441 1.00 0.00 O ATOM 0 H GLU A 161 4.494 -5.450 -9.199 1.00 0.00 H new ATOM 0 HA GLU A 161 3.394 -6.153 -6.575 1.00 0.00 H new ATOM 0 HB2 GLU A 161 5.237 -3.928 -7.487 1.00 0.00 H new ATOM 0 HB3 GLU A 161 4.543 -3.962 -5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 161 5.539 -6.302 -5.601 1.00 0.00 H new ATOM 0 HG3 GLU A 161 6.373 -6.059 -7.123 1.00 0.00 H new ATOM 1075 N PHE A 162 2.162 -3.466 -8.168 1.00 0.00 N ATOM 1076 CA PHE A 162 0.809 -2.778 -8.290 1.00 0.00 C ATOM 1077 C PHE A 162 -0.272 -3.794 -8.787 1.00 0.00 C ATOM 1078 O PHE A 162 -1.300 -3.909 -8.114 1.00 0.00 O ATOM 1079 CB PHE A 162 0.806 -1.430 -9.089 1.00 0.00 C ATOM 1080 CG PHE A 162 -0.390 -0.397 -9.097 1.00 0.00 C ATOM 1081 CD1 PHE A 162 -1.668 -0.678 -8.566 1.00 0.00 C ATOM 1082 CD2 PHE A 162 -0.259 0.803 -9.838 1.00 0.00 C ATOM 1083 CE1 PHE A 162 -2.789 0.035 -8.966 1.00 0.00 C ATOM 1084 CE2 PHE A 162 -1.380 1.527 -10.204 1.00 0.00 C ATOM 1085 CZ PHE A 162 -2.644 1.107 -9.826 1.00 0.00 C ATOM 0 H PHE A 162 2.877 -3.131 -8.813 1.00 0.00 H new ATOM 0 HA PHE A 162 0.545 -2.453 -7.283 1.00 0.00 H new ATOM 0 HB2 PHE A 162 1.681 -0.876 -8.750 1.00 0.00 H new ATOM 0 HB3 PHE A 162 0.982 -1.696 -10.131 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -1.775 -1.464 -7.833 1.00 0.00 H new ATOM 0 HD2 PHE A 162 0.722 1.155 -10.119 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -3.768 -0.246 -8.608 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -1.268 2.428 -10.790 1.00 0.00 H new ATOM 0 HZ PHE A 162 -3.518 1.618 -10.204 1.00 0.00 H new ATOM 1095 N LEU A 163 -0.021 -4.593 -9.855 1.00 0.00 N ATOM 1096 CA LEU A 163 -0.942 -5.709 -10.244 1.00 0.00 C ATOM 1097 C LEU A 163 -1.152 -6.802 -9.151 1.00 0.00 C ATOM 1098 O LEU A 163 -2.301 -7.130 -8.843 1.00 0.00 O ATOM 1099 CB LEU A 163 -0.533 -6.486 -11.542 1.00 0.00 C ATOM 1100 CG LEU A 163 -0.348 -5.837 -12.943 1.00 0.00 C ATOM 1101 CD1 LEU A 163 0.205 -6.901 -13.915 1.00 0.00 C ATOM 1102 CD2 LEU A 163 -1.646 -5.260 -13.504 1.00 0.00 C ATOM 0 H LEU A 163 0.796 -4.494 -10.458 1.00 0.00 H new ATOM 0 HA LEU A 163 -1.862 -5.148 -10.408 1.00 0.00 H new ATOM 0 HB2 LEU A 163 0.412 -6.979 -11.312 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -1.279 -7.270 -11.670 1.00 0.00 H new ATOM 0 HG LEU A 163 0.348 -5.006 -12.833 1.00 0.00 H new ATOM 0 HD11 LEU A 163 0.339 -6.458 -14.902 1.00 0.00 H new ATOM 0 HD12 LEU A 163 1.164 -7.266 -13.548 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -0.497 -7.732 -13.983 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -1.456 -4.821 -14.483 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -2.386 -6.055 -13.601 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -2.024 -4.492 -12.829 1.00 0.00 H new ATOM 1114 N ARG A 164 -0.065 -7.397 -8.627 1.00 0.00 N ATOM 1115 CA ARG A 164 -0.145 -8.576 -7.735 1.00 0.00 C ATOM 1116 C ARG A 164 -0.639 -8.308 -6.299 1.00 0.00 C ATOM 1117 O ARG A 164 -1.359 -9.154 -5.761 1.00 0.00 O ATOM 1118 CB ARG A 164 1.248 -9.203 -7.716 1.00 0.00 C ATOM 1119 CG ARG A 164 1.199 -10.661 -7.234 1.00 0.00 C ATOM 1120 CD ARG A 164 2.571 -11.353 -7.328 1.00 0.00 C ATOM 1121 NE ARG A 164 2.500 -12.774 -6.902 1.00 0.00 N ATOM 1122 CZ ARG A 164 3.570 -13.573 -6.727 1.00 0.00 C ATOM 1123 NH1 ARG A 164 4.830 -13.182 -6.911 1.00 0.00 N ATOM 1124 NH2 ARG A 164 3.357 -14.820 -6.349 1.00 0.00 N ATOM 0 H ARG A 164 0.888 -7.080 -8.806 1.00 0.00 H new ATOM 0 HA ARG A 164 -0.910 -9.239 -8.139 1.00 0.00 H new ATOM 0 HB2 ARG A 164 1.681 -9.163 -8.716 1.00 0.00 H new ATOM 0 HB3 ARG A 164 1.901 -8.624 -7.063 1.00 0.00 H new ATOM 0 HG2 ARG A 164 0.850 -10.689 -6.202 1.00 0.00 H new ATOM 0 HG3 ARG A 164 0.474 -11.214 -7.830 1.00 0.00 H new ATOM 0 HD2 ARG A 164 2.937 -11.298 -8.353 1.00 0.00 H new ATOM 0 HD3 ARG A 164 3.290 -10.822 -6.704 1.00 0.00 H new ATOM 0 HE ARG A 164 1.577 -13.172 -6.730 1.00 0.00 H new ATOM 0 HH11 ARG A 164 5.030 -12.225 -7.202 1.00 0.00 H new ATOM 0 HH12 ARG A 164 5.595 -13.840 -6.761 1.00 0.00 H new ATOM 0 HH21 ARG A 164 2.404 -15.152 -6.199 1.00 0.00 H new ATOM 0 HH22 ARG A 164 4.145 -15.452 -6.207 1.00 0.00 H new ATOM 1138 N ILE A 165 -0.284 -7.152 -5.694 1.00 0.00 N ATOM 1139 CA ILE A 165 -0.912 -6.725 -4.409 1.00 0.00 C ATOM 1140 C ILE A 165 -2.392 -6.224 -4.634 1.00 0.00 C ATOM 1141 O ILE A 165 -3.234 -6.572 -3.799 1.00 0.00 O ATOM 1142 CB ILE A 165 -0.051 -5.712 -3.561 1.00 0.00 C ATOM 1143 CG1 ILE A 165 1.489 -5.950 -3.392 1.00 0.00 C ATOM 1144 CG2 ILE A 165 -0.657 -5.619 -2.131 1.00 0.00 C ATOM 1145 CD1 ILE A 165 1.959 -7.356 -2.986 1.00 0.00 C ATOM 0 H ILE A 165 0.417 -6.507 -6.059 1.00 0.00 H new ATOM 0 HA ILE A 165 -0.951 -7.621 -3.790 1.00 0.00 H new ATOM 0 HB ILE A 165 -0.109 -4.806 -4.164 1.00 0.00 H new ATOM 0 HG12 ILE A 165 1.972 -5.695 -4.335 1.00 0.00 H new ATOM 0 HG13 ILE A 165 1.856 -5.246 -2.645 1.00 0.00 H new ATOM 0 HG21 ILE A 165 -0.071 -4.921 -1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 165 -1.687 -5.267 -2.194 1.00 0.00 H new ATOM 0 HG23 ILE A 165 -0.638 -6.603 -1.663 1.00 0.00 H new ATOM 0 HD11 ILE A 165 3.046 -7.368 -2.908 1.00 0.00 H new ATOM 0 HD12 ILE A 165 1.523 -7.621 -2.023 1.00 0.00 H new ATOM 0 HD13 ILE A 165 1.641 -8.077 -3.739 1.00 0.00 H new ATOM 1157 N MET A 166 -2.743 -5.487 -5.725 1.00 0.00 N ATOM 1158 CA MET A 166 -4.176 -5.189 -6.068 1.00 0.00 C ATOM 1159 C MET A 166 -5.116 -6.439 -6.201 1.00 0.00 C ATOM 1160 O MET A 166 -6.216 -6.419 -5.639 1.00 0.00 O ATOM 1161 CB MET A 166 -4.250 -4.303 -7.344 1.00 0.00 C ATOM 1162 CG MET A 166 -5.612 -3.653 -7.655 1.00 0.00 C ATOM 1163 SD MET A 166 -5.986 -2.354 -6.454 1.00 0.00 S ATOM 1164 CE MET A 166 -7.342 -3.068 -5.502 1.00 0.00 C ATOM 0 H MET A 166 -2.068 -5.090 -6.378 1.00 0.00 H new ATOM 0 HA MET A 166 -4.567 -4.648 -5.206 1.00 0.00 H new ATOM 0 HB2 MET A 166 -3.507 -3.510 -7.252 1.00 0.00 H new ATOM 0 HB3 MET A 166 -3.960 -4.913 -8.200 1.00 0.00 H new ATOM 0 HG2 MET A 166 -5.600 -3.233 -8.661 1.00 0.00 H new ATOM 0 HG3 MET A 166 -6.396 -4.410 -7.635 1.00 0.00 H new ATOM 0 HE1 MET A 166 -7.658 -2.363 -4.733 1.00 0.00 H new ATOM 0 HE2 MET A 166 -8.180 -3.281 -6.166 1.00 0.00 H new ATOM 0 HE3 MET A 166 -7.008 -3.993 -5.031 1.00 0.00 H new ATOM 1174 N LYS A 167 -4.696 -7.499 -6.922 1.00 0.00 N ATOM 1175 CA LYS A 167 -5.513 -8.721 -7.127 1.00 0.00 C ATOM 1176 C LYS A 167 -5.685 -9.591 -5.863 1.00 0.00 C ATOM 1177 O LYS A 167 -6.789 -9.661 -5.313 1.00 0.00 O ATOM 1178 CB LYS A 167 -4.841 -9.531 -8.239 1.00 0.00 C ATOM 1179 CG LYS A 167 -5.771 -10.632 -8.773 1.00 0.00 C ATOM 1180 CD LYS A 167 -5.157 -11.430 -9.942 1.00 0.00 C ATOM 1181 CE LYS A 167 -6.111 -12.497 -10.512 1.00 0.00 C ATOM 1182 NZ LYS A 167 -5.490 -13.243 -11.620 1.00 0.00 N ATOM 0 H LYS A 167 -3.785 -7.536 -7.379 1.00 0.00 H new ATOM 0 HA LYS A 167 -6.524 -8.411 -7.392 1.00 0.00 H new ATOM 0 HB2 LYS A 167 -4.557 -8.866 -9.054 1.00 0.00 H new ATOM 0 HB3 LYS A 167 -3.923 -9.980 -7.860 1.00 0.00 H new ATOM 0 HG2 LYS A 167 -6.015 -11.318 -7.962 1.00 0.00 H new ATOM 0 HG3 LYS A 167 -6.707 -10.181 -9.101 1.00 0.00 H new ATOM 0 HD2 LYS A 167 -4.876 -10.740 -10.738 1.00 0.00 H new ATOM 0 HD3 LYS A 167 -4.241 -11.914 -9.602 1.00 0.00 H new ATOM 0 HE2 LYS A 167 -6.397 -13.190 -9.721 1.00 0.00 H new ATOM 0 HE3 LYS A 167 -7.026 -12.018 -10.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 167 -6.160 -13.953 -11.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 167 -5.240 -12.584 -12.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 167 -4.631 -13.720 -11.279 1.00 0.00 H new ATOM 1301 N TRP B 2 0.695 -1.676 0.797 1.00 0.00 N ATOM 1302 CA TRP B 2 0.565 -1.723 -0.693 1.00 0.00 C ATOM 1303 C TRP B 2 -0.887 -2.006 -1.202 1.00 0.00 C ATOM 1304 O TRP B 2 -1.169 -1.619 -2.330 1.00 0.00 O ATOM 1305 CB TRP B 2 1.493 -2.787 -1.322 1.00 0.00 C ATOM 1306 CG TRP B 2 2.940 -2.394 -1.563 1.00 0.00 C ATOM 1307 CD1 TRP B 2 4.001 -2.925 -0.818 1.00 0.00 C ATOM 1308 CD2 TRP B 2 3.523 -1.766 -2.666 1.00 0.00 C ATOM 1309 NE1 TRP B 2 5.227 -2.652 -1.420 1.00 0.00 N ATOM 1310 CE2 TRP B 2 4.925 -1.906 -2.545 1.00 0.00 C ATOM 1311 CE3 TRP B 2 2.966 -1.177 -3.833 1.00 0.00 C ATOM 1312 CZ2 TRP B 2 5.788 -1.413 -3.564 1.00 0.00 C ATOM 1313 CZ3 TRP B 2 3.836 -0.720 -4.830 1.00 0.00 C ATOM 1314 CH2 TRP B 2 5.223 -0.832 -4.700 1.00 0.00 C ATOM 0 HA TRP B 2 0.853 -0.720 -1.008 1.00 0.00 H new ATOM 0 HB2 TRP B 2 1.485 -3.665 -0.677 1.00 0.00 H new ATOM 0 HB3 TRP B 2 1.062 -3.089 -2.277 1.00 0.00 H new ATOM 0 HD1 TRP B 2 3.883 -3.475 0.104 1.00 0.00 H new ATOM 0 HE1 TRP B 2 6.151 -2.941 -1.099 1.00 0.00 H new ATOM 0 HE3 TRP B 2 1.896 -1.084 -3.948 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 6.860 -1.487 -3.460 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 3.425 -0.270 -5.722 1.00 0.00 H new ATOM 0 HH2 TRP B 2 5.865 -0.465 -5.487 1.00 0.00 H new ATOM 1325 N LYS B 3 -1.782 -2.669 -0.435 1.00 0.00 N ATOM 1326 CA LYS B 3 -3.230 -2.777 -0.769 1.00 0.00 C ATOM 1327 C LYS B 3 -4.004 -1.433 -0.691 1.00 0.00 C ATOM 1328 O LYS B 3 -4.718 -1.085 -1.637 1.00 0.00 O ATOM 1329 CB LYS B 3 -3.911 -3.703 0.249 1.00 0.00 C ATOM 1330 CG LYS B 3 -3.388 -5.150 0.240 1.00 0.00 C ATOM 1331 CD LYS B 3 -4.022 -6.018 1.349 1.00 0.00 C ATOM 1332 CE LYS B 3 -3.503 -7.469 1.367 1.00 0.00 C ATOM 1333 NZ LYS B 3 -4.075 -8.225 2.494 1.00 0.00 N ATOM 0 H LYS B 3 -1.527 -3.144 0.431 1.00 0.00 H new ATOM 0 HA LYS B 3 -3.263 -3.144 -1.795 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -3.776 -3.287 1.247 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -4.983 -3.715 0.051 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -3.594 -5.601 -0.731 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -2.305 -5.142 0.365 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -3.824 -5.558 2.317 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -5.104 -6.029 1.217 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -3.758 -7.961 0.429 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -2.415 -7.468 1.441 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -3.708 -9.198 2.481 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -3.810 -7.767 3.389 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -5.111 -8.245 2.409 1.00 0.00 H new ATOM 1347 N LEU B 4 -3.843 -0.679 0.421 1.00 0.00 N ATOM 1348 CA LEU B 4 -4.350 0.725 0.536 1.00 0.00 C ATOM 1349 C LEU B 4 -3.766 1.720 -0.525 1.00 0.00 C ATOM 1350 O LEU B 4 -4.536 2.479 -1.121 1.00 0.00 O ATOM 1351 CB LEU B 4 -4.136 1.281 1.976 1.00 0.00 C ATOM 1352 CG LEU B 4 -4.887 0.576 3.145 1.00 0.00 C ATOM 1353 CD1 LEU B 4 -4.423 1.138 4.504 1.00 0.00 C ATOM 1354 CD2 LEU B 4 -6.423 0.686 3.038 1.00 0.00 C ATOM 0 H LEU B 4 -3.366 -1.013 1.258 1.00 0.00 H new ATOM 0 HA LEU B 4 -5.417 0.657 0.322 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -3.069 1.245 2.194 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -4.427 2.332 1.976 1.00 0.00 H new ATOM 0 HG LEU B 4 -4.634 -0.482 3.072 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -4.958 0.634 5.308 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -3.352 0.971 4.620 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -4.630 2.207 4.545 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -6.884 0.174 3.883 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -6.714 1.736 3.047 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -6.757 0.225 2.108 1.00 0.00 H new ATOM 1366 N LEU B 5 -2.439 1.688 -0.784 1.00 0.00 N ATOM 1367 CA LEU B 5 -1.807 2.425 -1.919 1.00 0.00 C ATOM 1368 C LEU B 5 -2.117 1.840 -3.346 1.00 0.00 C ATOM 1369 O LEU B 5 -1.985 2.571 -4.327 1.00 0.00 O ATOM 1370 CB LEU B 5 -0.268 2.560 -1.679 1.00 0.00 C ATOM 1371 CG LEU B 5 0.340 3.974 -1.932 1.00 0.00 C ATOM 1372 CD1 LEU B 5 1.754 4.074 -1.335 1.00 0.00 C ATOM 1373 CD2 LEU B 5 0.382 4.398 -3.414 1.00 0.00 C ATOM 0 H LEU B 5 -1.774 1.157 -0.221 1.00 0.00 H new ATOM 0 HA LEU B 5 -2.269 3.412 -1.927 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -0.054 2.273 -0.650 1.00 0.00 H new ATOM 0 HB3 LEU B 5 0.245 1.845 -2.323 1.00 0.00 H new ATOM 0 HG LEU B 5 -0.339 4.665 -1.431 1.00 0.00 H new ATOM 0 HD11 LEU B 5 2.159 5.068 -1.523 1.00 0.00 H new ATOM 0 HD12 LEU B 5 1.708 3.898 -0.260 1.00 0.00 H new ATOM 0 HD13 LEU B 5 2.398 3.326 -1.798 1.00 0.00 H new ATOM 0 HD21 LEU B 5 0.819 5.393 -3.496 1.00 0.00 H new ATOM 0 HD22 LEU B 5 0.987 3.688 -3.978 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.631 4.413 -3.817 1.00 0.00 H new ATOM 1385 N ALA B 6 -2.532 0.562 -3.487 1.00 0.00 N ATOM 1386 CA ALA B 6 -3.054 -0.013 -4.748 1.00 0.00 C ATOM 1387 C ALA B 6 -4.464 0.493 -5.125 1.00 0.00 C ATOM 1388 O ALA B 6 -4.668 0.684 -6.315 1.00 0.00 O ATOM 1389 CB ALA B 6 -3.017 -1.549 -4.725 1.00 0.00 C ATOM 0 H ALA B 6 -2.514 -0.109 -2.719 1.00 0.00 H new ATOM 0 HA ALA B 6 -2.382 0.343 -5.529 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -3.407 -1.936 -5.666 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -1.989 -1.886 -4.592 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -3.628 -1.915 -3.900 1.00 0.00 H new ATOM 1395 N LYS B 7 -5.420 0.703 -4.190 1.00 0.00 N ATOM 1396 CA LYS B 7 -6.683 1.446 -4.494 1.00 0.00 C ATOM 1397 C LYS B 7 -6.431 2.964 -4.806 1.00 0.00 C ATOM 1398 O LYS B 7 -6.842 3.510 -5.851 1.00 0.00 O ATOM 1399 CB LYS B 7 -7.615 1.286 -3.290 1.00 0.00 C ATOM 1400 CG LYS B 7 -9.086 1.533 -3.663 1.00 0.00 C ATOM 1401 CD LYS B 7 -9.618 0.517 -4.694 1.00 0.00 C ATOM 1402 CE LYS B 7 -11.108 0.722 -5.029 1.00 0.00 C ATOM 1403 NZ LYS B 7 -11.596 -0.303 -5.970 1.00 0.00 N ATOM 0 H LYS B 7 -5.350 0.376 -3.227 1.00 0.00 H new ATOM 0 HA LYS B 7 -7.134 1.029 -5.395 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -7.509 0.282 -2.880 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -7.318 1.983 -2.506 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -9.698 1.484 -2.762 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -9.190 2.541 -4.065 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -9.031 0.596 -5.609 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -9.474 -0.492 -4.309 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -11.697 0.686 -4.112 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -11.252 1.712 -5.461 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -12.559 -0.060 -6.280 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -10.966 -0.343 -6.797 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -11.608 -1.230 -5.498 1.00 0.00 H new ATOM 1417 N GLY B 8 -5.673 3.600 -3.881 1.00 0.00 N ATOM 1418 CA GLY B 8 -5.094 4.949 -4.072 1.00 0.00 C ATOM 1419 C GLY B 8 -4.418 5.233 -5.434 1.00 0.00 C ATOM 1420 O GLY B 8 -4.616 6.338 -5.944 1.00 0.00 O ATOM 0 H GLY B 8 -5.445 3.188 -2.976 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.887 5.682 -3.927 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.358 5.117 -3.286 1.00 0.00 H new ATOM 1424 N LEU B 9 -3.637 4.278 -6.004 1.00 0.00 N ATOM 1425 CA LEU B 9 -3.179 4.372 -7.418 1.00 0.00 C ATOM 1426 C LEU B 9 -4.066 3.602 -8.469 1.00 0.00 C ATOM 1427 O LEU B 9 -3.844 3.815 -9.664 1.00 0.00 O ATOM 1428 CB LEU B 9 -1.645 4.154 -7.573 1.00 0.00 C ATOM 1429 CG LEU B 9 -0.832 5.292 -8.298 1.00 0.00 C ATOM 1430 CD1 LEU B 9 -0.110 4.817 -9.565 1.00 0.00 C ATOM 1431 CD2 LEU B 9 -1.542 6.499 -8.933 1.00 0.00 C ATOM 0 H LEU B 9 -3.314 3.444 -5.514 1.00 0.00 H new ATOM 0 HA LEU B 9 -3.352 5.412 -7.693 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.220 4.015 -6.579 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.488 3.224 -8.120 1.00 0.00 H new ATOM 0 HG LEU B 9 -0.257 5.572 -7.415 1.00 0.00 H new ATOM 0 HD11 LEU B 9 0.429 5.653 -10.012 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.595 4.027 -9.307 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.840 4.434 -10.278 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -0.802 7.163 -9.379 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.230 6.152 -9.704 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -2.099 7.038 -8.167 1.00 0.00 H new ATOM 1443 N LEU B 10 -5.084 2.790 -8.083 1.00 0.00 N ATOM 1444 CA LEU B 10 -6.197 2.275 -8.973 1.00 0.00 C ATOM 1445 C LEU B 10 -7.039 3.446 -9.589 1.00 0.00 C ATOM 1446 O LEU B 10 -7.694 3.226 -10.611 1.00 0.00 O ATOM 1447 CB LEU B 10 -7.094 1.213 -8.266 1.00 0.00 C ATOM 1448 CG LEU B 10 -8.213 0.504 -9.095 1.00 0.00 C ATOM 1449 CD1 LEU B 10 -8.369 -0.979 -8.702 1.00 0.00 C ATOM 1450 CD2 LEU B 10 -9.591 1.193 -8.958 1.00 0.00 C ATOM 0 H LEU B 10 -5.170 2.458 -7.123 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.714 1.756 -9.801 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -6.438 0.439 -7.867 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -7.571 1.698 -7.414 1.00 0.00 H new ATOM 0 HG LEU B 10 -7.885 0.578 -10.132 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -9.157 -1.434 -9.302 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -7.430 -1.503 -8.879 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -8.630 -1.050 -7.646 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -10.327 0.656 -9.556 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -9.898 1.187 -7.912 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -9.520 2.222 -9.309 1.00 0.00 H new ATOM 1462 N ILE B 11 -6.967 4.657 -8.980 1.00 0.00 N ATOM 1463 CA ILE B 11 -7.334 5.993 -9.562 1.00 0.00 C ATOM 1464 C ILE B 11 -7.174 6.230 -11.117 1.00 0.00 C ATOM 1465 O ILE B 11 -7.644 7.263 -11.598 1.00 0.00 O ATOM 1466 CB ILE B 11 -6.376 7.019 -8.803 1.00 0.00 C ATOM 1467 CG1 ILE B 11 -6.757 8.525 -8.889 1.00 0.00 C ATOM 1468 CG2 ILE B 11 -4.860 6.876 -9.189 1.00 0.00 C ATOM 1469 CD1 ILE B 11 -8.085 8.899 -8.217 1.00 0.00 C ATOM 0 H ILE B 11 -6.635 4.743 -8.019 1.00 0.00 H new ATOM 0 HA ILE B 11 -8.410 6.102 -9.425 1.00 0.00 H new ATOM 0 HB ILE B 11 -6.535 6.708 -7.771 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -5.959 9.112 -8.434 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -6.805 8.812 -9.939 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.272 7.606 -8.633 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -4.516 5.871 -8.945 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -4.739 7.051 -10.258 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -8.262 9.969 -8.331 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -8.898 8.345 -8.685 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -8.039 8.650 -7.157 1.00 0.00 H new ATOM 1481 N ARG B 12 -6.450 5.337 -11.838 1.00 0.00 N ATOM 1482 CA ARG B 12 -6.032 5.491 -13.271 1.00 0.00 C ATOM 1483 C ARG B 12 -6.929 6.273 -14.286 1.00 0.00 C ATOM 1484 O ARG B 12 -6.402 7.034 -15.101 1.00 0.00 O ATOM 1485 CB ARG B 12 -5.687 4.087 -13.831 1.00 0.00 C ATOM 1486 CG ARG B 12 -6.696 2.907 -13.706 1.00 0.00 C ATOM 1487 CD ARG B 12 -7.868 2.765 -14.709 1.00 0.00 C ATOM 1488 NE ARG B 12 -7.467 2.653 -16.139 1.00 0.00 N ATOM 1489 CZ ARG B 12 -8.278 2.901 -17.186 1.00 0.00 C ATOM 1490 NH1 ARG B 12 -9.537 3.320 -17.073 1.00 0.00 N ATOM 1491 NH2 ARG B 12 -7.798 2.713 -18.401 1.00 0.00 N ATOM 0 H ARG B 12 -6.126 4.459 -11.433 1.00 0.00 H new ATOM 0 HA ARG B 12 -5.186 6.174 -13.197 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -5.469 4.210 -14.892 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -4.762 3.769 -13.350 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -6.119 1.984 -13.753 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -7.131 2.960 -12.708 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -8.450 1.883 -14.441 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -8.526 3.627 -14.599 1.00 0.00 H new ATOM 0 HE ARG B 12 -6.509 2.368 -16.340 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -9.943 3.472 -16.150 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -10.095 3.489 -17.910 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -6.839 2.389 -18.526 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -8.386 2.892 -19.215 1.00 0.00 H new