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= -0.244 X(o=-0.24,f=-0.45) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 145 MET CE :methyl -178:sc= 0 (180deg=-0.00223) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 160 GLN : amide:sc= 0 K(o=0,f=-0.54) 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 -5.598 -2.135 -15.447 1.00 0.00 N ATOM 200 CA ILE A 106 -4.597 -2.517 -14.391 1.00 0.00 C ATOM 201 C ILE A 106 -3.097 -2.317 -14.819 1.00 0.00 C ATOM 202 O ILE A 106 -2.352 -1.625 -14.112 1.00 0.00 O ATOM 203 CB ILE A 106 -4.823 -3.957 -13.778 1.00 0.00 C ATOM 204 CG1 ILE A 106 -5.084 -5.126 -14.787 1.00 0.00 C ATOM 205 CG2 ILE A 106 -5.922 -3.967 -12.691 1.00 0.00 C ATOM 206 CD1 ILE A 106 -4.270 -6.400 -14.533 1.00 0.00 C ATOM 0 HA ILE A 106 -4.794 -1.799 -13.595 1.00 0.00 H new ATOM 0 HB ILE A 106 -3.847 -4.167 -13.341 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -6.144 -5.379 -14.759 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.868 -4.770 -15.794 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -6.039 -4.978 -12.301 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -5.638 -3.296 -11.880 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.865 -3.633 -13.124 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.522 -7.149 -15.284 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.206 -6.170 -14.593 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.502 -6.788 -13.541 1.00 0.00 H new ATOM 218 N LEU A 107 -2.670 -2.880 -15.969 1.00 0.00 N ATOM 219 CA LEU A 107 -1.296 -2.679 -16.528 1.00 0.00 C ATOM 220 C LEU A 107 -0.962 -1.198 -16.893 1.00 0.00 C ATOM 221 O LEU A 107 0.134 -0.738 -16.568 1.00 0.00 O ATOM 222 CB LEU A 107 -1.093 -3.676 -17.710 1.00 0.00 C ATOM 223 CG LEU A 107 0.335 -3.962 -18.263 1.00 0.00 C ATOM 224 CD1 LEU A 107 0.938 -2.825 -19.109 1.00 0.00 C ATOM 225 CD2 LEU A 107 1.340 -4.458 -17.201 1.00 0.00 C ATOM 0 H LEU A 107 -3.257 -3.486 -16.542 1.00 0.00 H new ATOM 0 HA LEU A 107 -0.570 -2.900 -15.746 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.517 -4.632 -17.402 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.695 -3.314 -18.544 1.00 0.00 H new ATOM 0 HG LEU A 107 0.161 -4.793 -18.946 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.932 -3.113 -19.450 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.299 -2.635 -19.971 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.010 -1.921 -18.505 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.308 -4.633 -17.670 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.446 -3.705 -16.420 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.976 -5.387 -16.762 1.00 0.00 H new ATOM 237 N LYS A 108 -1.901 -0.456 -17.514 1.00 0.00 N ATOM 238 CA LYS A 108 -1.788 1.007 -17.716 1.00 0.00 C ATOM 239 C LYS A 108 -1.701 1.906 -16.453 1.00 0.00 C ATOM 240 O LYS A 108 -1.023 2.933 -16.508 1.00 0.00 O ATOM 241 CB LYS A 108 -3.009 1.382 -18.553 1.00 0.00 C ATOM 242 CG LYS A 108 -2.844 2.756 -19.208 1.00 0.00 C ATOM 243 CD LYS A 108 -4.015 3.106 -20.149 1.00 0.00 C ATOM 244 CE LYS A 108 -3.797 4.446 -20.869 1.00 0.00 C ATOM 245 NZ LYS A 108 -4.922 4.775 -21.762 1.00 0.00 N ATOM 0 H LYS A 108 -2.762 -0.853 -17.891 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.824 1.199 -18.188 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.168 0.628 -19.324 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -3.897 1.384 -17.921 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.765 3.518 -18.432 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.911 2.777 -19.771 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -4.135 2.313 -20.888 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.940 3.150 -19.575 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -3.674 5.239 -20.132 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -2.874 4.402 -21.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -4.739 5.686 -22.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -5.024 4.030 -22.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -5.798 4.842 -21.206 1.00 0.00 H new ATOM 259 N ALA A 109 -2.348 1.527 -15.333 1.00 0.00 N ATOM 260 CA ALA A 109 -2.154 2.179 -14.009 1.00 0.00 C ATOM 261 C ALA A 109 -0.727 1.957 -13.391 1.00 0.00 C ATOM 262 O ALA A 109 -0.130 2.911 -12.870 1.00 0.00 O ATOM 263 CB ALA A 109 -3.327 1.749 -13.121 1.00 0.00 C ATOM 0 H ALA A 109 -3.021 0.761 -15.314 1.00 0.00 H new ATOM 0 HA ALA A 109 -2.170 3.264 -14.114 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.225 2.206 -12.137 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -4.264 2.071 -13.575 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.327 0.664 -13.019 1.00 0.00 H new ATOM 269 N PHE A 110 -0.146 0.728 -13.468 1.00 0.00 N ATOM 270 CA PHE A 110 1.316 0.508 -13.201 1.00 0.00 C ATOM 271 C PHE A 110 2.203 1.402 -14.164 1.00 0.00 C ATOM 272 O PHE A 110 3.236 1.903 -13.723 1.00 0.00 O ATOM 273 CB PHE A 110 1.611 -1.018 -13.260 1.00 0.00 C ATOM 274 CG PHE A 110 3.095 -1.444 -13.151 1.00 0.00 C ATOM 275 CD1 PHE A 110 3.919 -1.415 -14.282 1.00 0.00 C ATOM 276 CD2 PHE A 110 3.664 -1.723 -11.909 1.00 0.00 C ATOM 277 CE1 PHE A 110 5.305 -1.513 -14.151 1.00 0.00 C ATOM 278 CE2 PHE A 110 5.053 -1.781 -11.770 1.00 0.00 C ATOM 279 CZ PHE A 110 5.877 -1.665 -12.889 1.00 0.00 C ATOM 0 H PHE A 110 -0.656 -0.122 -13.710 1.00 0.00 H new ATOM 0 HA PHE A 110 1.589 0.838 -12.199 1.00 0.00 H new ATOM 0 HB2 PHE A 110 1.058 -1.503 -12.456 1.00 0.00 H new ATOM 0 HB3 PHE A 110 1.214 -1.405 -14.198 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.479 -1.316 -15.263 1.00 0.00 H new ATOM 0 HD2 PHE A 110 3.029 -1.895 -11.052 1.00 0.00 H new ATOM 0 HE1 PHE A 110 5.934 -1.471 -15.028 1.00 0.00 H new ATOM 0 HE2 PHE A 110 5.490 -1.916 -10.792 1.00 0.00 H new ATOM 0 HZ PHE A 110 6.951 -1.693 -12.779 1.00 0.00 H new ATOM 289 N LYS A 111 1.808 1.615 -15.448 1.00 0.00 N ATOM 290 CA LYS A 111 2.397 2.657 -16.329 1.00 0.00 C ATOM 291 C LYS A 111 2.203 4.127 -15.837 1.00 0.00 C ATOM 292 O LYS A 111 3.079 4.947 -16.122 1.00 0.00 O ATOM 293 CB LYS A 111 1.800 2.530 -17.727 1.00 0.00 C ATOM 294 CG LYS A 111 2.652 1.580 -18.581 1.00 0.00 C ATOM 295 CD LYS A 111 2.159 1.493 -20.045 1.00 0.00 C ATOM 296 CE LYS A 111 3.082 0.747 -21.035 1.00 0.00 C ATOM 297 NZ LYS A 111 2.859 -0.712 -21.105 1.00 0.00 N ATOM 0 H LYS A 111 1.074 1.070 -15.899 1.00 0.00 H new ATOM 0 HA LYS A 111 3.471 2.473 -16.319 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.778 2.155 -17.662 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.750 3.511 -18.200 1.00 0.00 H new ATOM 0 HG2 LYS A 111 3.688 1.918 -18.570 1.00 0.00 H new ATOM 0 HG3 LYS A 111 2.636 0.585 -18.136 1.00 0.00 H new ATOM 0 HD2 LYS A 111 1.185 1.003 -20.050 1.00 0.00 H new ATOM 0 HD3 LYS A 111 2.008 2.507 -20.416 1.00 0.00 H new ATOM 0 HE2 LYS A 111 2.943 1.170 -22.030 1.00 0.00 H new ATOM 0 HE3 LYS A 111 4.119 0.930 -20.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.519 -1.131 -21.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 3.020 -1.133 -20.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 1.881 -0.900 -21.406 1.00 0.00 H new ATOM 311 N LEU A 112 1.108 4.472 -15.100 1.00 0.00 N ATOM 312 CA LEU A 112 1.002 5.770 -14.357 1.00 0.00 C ATOM 313 C LEU A 112 2.148 5.904 -13.311 1.00 0.00 C ATOM 314 O LEU A 112 2.718 6.997 -13.234 1.00 0.00 O ATOM 315 CB LEU A 112 -0.375 6.085 -13.701 1.00 0.00 C ATOM 316 CG LEU A 112 -1.598 6.100 -14.657 1.00 0.00 C ATOM 317 CD1 LEU A 112 -2.895 6.226 -13.845 1.00 0.00 C ATOM 318 CD2 LEU A 112 -1.540 7.213 -15.725 1.00 0.00 C ATOM 0 H LEU A 112 0.288 3.874 -15.003 1.00 0.00 H new ATOM 0 HA LEU A 112 1.103 6.524 -15.137 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.559 5.348 -12.919 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.309 7.058 -13.213 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.575 5.154 -15.197 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.749 6.236 -14.522 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.982 5.379 -13.164 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.876 7.153 -13.271 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.428 7.160 -16.355 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.501 8.186 -15.235 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.650 7.081 -16.340 1.00 0.00 H new ATOM 330 N PHE A 113 2.537 4.828 -12.564 1.00 0.00 N ATOM 331 CA PHE A 113 3.821 4.842 -11.800 1.00 0.00 C ATOM 332 C PHE A 113 5.043 5.181 -12.751 1.00 0.00 C ATOM 333 O PHE A 113 5.725 6.176 -12.522 1.00 0.00 O ATOM 334 CB PHE A 113 4.225 3.514 -11.081 1.00 0.00 C ATOM 335 CG PHE A 113 3.451 2.654 -10.054 1.00 0.00 C ATOM 336 CD1 PHE A 113 3.276 3.079 -8.728 1.00 0.00 C ATOM 337 CD2 PHE A 113 3.469 1.275 -10.315 1.00 0.00 C ATOM 338 CE1 PHE A 113 3.168 2.134 -7.696 1.00 0.00 C ATOM 339 CE2 PHE A 113 3.436 0.349 -9.279 1.00 0.00 C ATOM 340 CZ PHE A 113 3.237 0.780 -7.989 1.00 0.00 C ATOM 0 H PHE A 113 1.999 3.966 -12.476 1.00 0.00 H new ATOM 0 HA PHE A 113 3.622 5.596 -11.038 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.457 2.825 -11.893 1.00 0.00 H new ATOM 0 HB3 PHE A 113 5.166 3.749 -10.584 1.00 0.00 H new ATOM 0 HD1 PHE A 113 3.224 4.134 -8.502 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.509 0.928 -11.337 1.00 0.00 H new ATOM 0 HE1 PHE A 113 3.031 2.460 -6.676 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.566 -0.703 -9.486 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.133 0.056 -7.194 1.00 0.00 H new ATOM 350 N ASP A 114 5.249 4.390 -13.830 1.00 0.00 N ATOM 351 CA ASP A 114 6.480 4.390 -14.661 1.00 0.00 C ATOM 352 C ASP A 114 6.677 5.544 -15.703 1.00 0.00 C ATOM 353 O ASP A 114 6.951 5.267 -16.874 1.00 0.00 O ATOM 354 CB ASP A 114 6.473 2.959 -15.288 1.00 0.00 C ATOM 355 CG ASP A 114 7.802 2.471 -15.865 1.00 0.00 C ATOM 356 OD1 ASP A 114 8.680 2.038 -15.087 1.00 0.00 O ATOM 357 OD2 ASP A 114 7.967 2.507 -17.104 1.00 0.00 O ATOM 0 H ASP A 114 4.552 3.720 -14.155 1.00 0.00 H new ATOM 0 HA ASP A 114 7.348 4.610 -14.040 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.150 2.251 -14.524 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.725 2.935 -16.081 1.00 0.00 H new ATOM 422 N LYS A 120 10.412 -0.880 -14.416 1.00 0.00 N ATOM 423 CA LYS A 120 10.681 -0.974 -12.955 1.00 0.00 C ATOM 424 C LYS A 120 10.513 0.428 -12.304 1.00 0.00 C ATOM 425 O LYS A 120 10.800 1.457 -12.928 1.00 0.00 O ATOM 426 CB LYS A 120 12.106 -1.506 -12.733 1.00 0.00 C ATOM 427 CG LYS A 120 12.347 -2.930 -13.287 1.00 0.00 C ATOM 428 CD LYS A 120 11.877 -4.124 -12.424 1.00 0.00 C ATOM 429 CE LYS A 120 12.626 -4.363 -11.092 1.00 0.00 C ATOM 430 NZ LYS A 120 14.013 -4.830 -11.278 1.00 0.00 N ATOM 0 HA LYS A 120 9.973 -1.660 -12.491 1.00 0.00 H new ATOM 0 HB2 LYS A 120 12.814 -0.822 -13.201 1.00 0.00 H new ATOM 0 HB3 LYS A 120 12.320 -1.504 -11.664 1.00 0.00 H new ATOM 0 HG2 LYS A 120 11.853 -3.001 -14.256 1.00 0.00 H new ATOM 0 HG3 LYS A 120 13.416 -3.045 -13.465 1.00 0.00 H new ATOM 0 HD2 LYS A 120 10.820 -3.984 -12.198 1.00 0.00 H new ATOM 0 HD3 LYS A 120 11.957 -5.030 -13.025 1.00 0.00 H new ATOM 0 HE2 LYS A 120 12.636 -3.437 -10.518 1.00 0.00 H new ATOM 0 HE3 LYS A 120 12.078 -5.098 -10.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 14.459 -4.971 -10.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 14.009 -5.729 -11.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 14.549 -4.119 -11.815 1.00 0.00 H new ATOM 444 N ILE A 121 10.036 0.464 -11.040 1.00 0.00 N ATOM 445 CA ILE A 121 9.569 1.739 -10.381 1.00 0.00 C ATOM 446 C ILE A 121 10.093 1.973 -8.920 1.00 0.00 C ATOM 447 O ILE A 121 10.672 1.086 -8.286 1.00 0.00 O ATOM 448 CB ILE A 121 8.001 1.902 -10.531 1.00 0.00 C ATOM 449 CG1 ILE A 121 7.057 0.844 -9.891 1.00 0.00 C ATOM 450 CG2 ILE A 121 7.626 2.079 -12.020 1.00 0.00 C ATOM 451 CD1 ILE A 121 6.853 1.034 -8.395 1.00 0.00 C ATOM 0 H ILE A 121 9.958 -0.361 -10.446 1.00 0.00 H new ATOM 0 HA ILE A 121 10.045 2.552 -10.929 1.00 0.00 H new ATOM 0 HB ILE A 121 7.814 2.788 -9.925 1.00 0.00 H new ATOM 0 HG12 ILE A 121 6.088 0.885 -10.389 1.00 0.00 H new ATOM 0 HG13 ILE A 121 7.466 -0.151 -10.070 1.00 0.00 H new ATOM 0 HG21 ILE A 121 6.546 2.190 -12.112 1.00 0.00 H new ATOM 0 HG22 ILE A 121 8.117 2.968 -12.416 1.00 0.00 H new ATOM 0 HG23 ILE A 121 7.950 1.204 -12.583 1.00 0.00 H new ATOM 0 HD11 ILE A 121 6.184 0.261 -8.018 1.00 0.00 H new ATOM 0 HD12 ILE A 121 7.814 0.963 -7.885 1.00 0.00 H new ATOM 0 HD13 ILE A 121 6.415 2.015 -8.209 1.00 0.00 H new ATOM 463 N SER A 122 9.899 3.221 -8.421 1.00 0.00 N ATOM 464 CA SER A 122 10.504 3.736 -7.158 1.00 0.00 C ATOM 465 C SER A 122 9.498 4.492 -6.222 1.00 0.00 C ATOM 466 O SER A 122 8.368 4.806 -6.605 1.00 0.00 O ATOM 467 CB SER A 122 11.715 4.622 -7.552 1.00 0.00 C ATOM 468 OG SER A 122 12.730 3.871 -8.215 1.00 0.00 O ATOM 0 H SER A 122 9.310 3.910 -8.889 1.00 0.00 H new ATOM 0 HA SER A 122 10.823 2.887 -6.554 1.00 0.00 H new ATOM 0 HB2 SER A 122 11.378 5.429 -8.202 1.00 0.00 H new ATOM 0 HB3 SER A 122 12.132 5.085 -6.658 1.00 0.00 H new ATOM 0 HG SER A 122 13.475 4.463 -8.449 1.00 0.00 H new ATOM 474 N PHE A 123 9.967 4.796 -4.984 1.00 0.00 N ATOM 475 CA PHE A 123 9.296 5.664 -3.954 1.00 0.00 C ATOM 476 C PHE A 123 8.405 6.840 -4.469 1.00 0.00 C ATOM 477 O PHE A 123 7.213 6.928 -4.139 1.00 0.00 O ATOM 478 CB PHE A 123 10.431 6.144 -2.977 1.00 0.00 C ATOM 479 CG PHE A 123 10.079 7.214 -1.916 1.00 0.00 C ATOM 480 CD1 PHE A 123 9.433 6.862 -0.729 1.00 0.00 C ATOM 481 CD2 PHE A 123 10.318 8.569 -2.188 1.00 0.00 C ATOM 482 CE1 PHE A 123 8.990 7.853 0.147 1.00 0.00 C ATOM 483 CE2 PHE A 123 9.865 9.556 -1.316 1.00 0.00 C ATOM 484 CZ PHE A 123 9.194 9.195 -0.151 1.00 0.00 C ATOM 0 H PHE A 123 10.860 4.432 -4.652 1.00 0.00 H new ATOM 0 HA PHE A 123 8.540 5.056 -3.457 1.00 0.00 H new ATOM 0 HB2 PHE A 123 10.811 5.267 -2.452 1.00 0.00 H new ATOM 0 HB3 PHE A 123 11.249 6.533 -3.583 1.00 0.00 H new ATOM 0 HD1 PHE A 123 9.276 5.821 -0.489 1.00 0.00 H new ATOM 0 HD2 PHE A 123 10.858 8.849 -3.081 1.00 0.00 H new ATOM 0 HE1 PHE A 123 8.486 7.576 1.061 1.00 0.00 H new ATOM 0 HE2 PHE A 123 10.034 10.598 -1.543 1.00 0.00 H new ATOM 0 HZ PHE A 123 8.832 9.958 0.522 1.00 0.00 H new ATOM 494 N LYS A 124 9.032 7.740 -5.245 1.00 0.00 N ATOM 495 CA LYS A 124 8.331 8.943 -5.778 1.00 0.00 C ATOM 496 C LYS A 124 7.202 8.637 -6.774 1.00 0.00 C ATOM 497 O LYS A 124 6.140 9.247 -6.668 1.00 0.00 O ATOM 498 CB LYS A 124 9.212 9.997 -6.462 1.00 0.00 C ATOM 499 CG LYS A 124 10.046 10.759 -5.432 1.00 0.00 C ATOM 500 CD LYS A 124 10.677 12.036 -6.013 1.00 0.00 C ATOM 501 CE LYS A 124 11.490 12.782 -4.949 1.00 0.00 C ATOM 502 NZ LYS A 124 12.068 14.032 -5.473 1.00 0.00 N ATOM 0 H LYS A 124 10.011 7.668 -5.520 1.00 0.00 H new ATOM 0 HA LYS A 124 7.939 9.347 -4.845 1.00 0.00 H new ATOM 0 HB2 LYS A 124 9.870 9.514 -7.184 1.00 0.00 H new ATOM 0 HB3 LYS A 124 8.586 10.695 -7.018 1.00 0.00 H new ATOM 0 HG2 LYS A 124 9.416 11.023 -4.583 1.00 0.00 H new ATOM 0 HG3 LYS A 124 10.834 10.108 -5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 124 11.322 11.777 -6.853 1.00 0.00 H new ATOM 0 HD3 LYS A 124 9.895 12.688 -6.401 1.00 0.00 H new ATOM 0 HE2 LYS A 124 10.850 13.008 -4.096 1.00 0.00 H new ATOM 0 HE3 LYS A 124 12.290 12.137 -4.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 12.610 14.506 -4.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 12.699 13.815 -6.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 11.304 14.659 -5.796 1.00 0.00 H new ATOM 516 N ASN A 125 7.399 7.684 -7.700 1.00 0.00 N ATOM 517 CA ASN A 125 6.328 7.228 -8.633 1.00 0.00 C ATOM 518 C ASN A 125 4.990 6.802 -7.901 1.00 0.00 C ATOM 519 O ASN A 125 3.928 7.380 -8.233 1.00 0.00 O ATOM 520 CB ASN A 125 6.968 6.148 -9.580 1.00 0.00 C ATOM 521 CG ASN A 125 7.961 6.666 -10.657 1.00 0.00 C ATOM 522 OD1 ASN A 125 8.137 7.864 -10.881 1.00 0.00 O ATOM 523 ND2 ASN A 125 8.613 5.756 -11.368 1.00 0.00 N ATOM 0 H ASN A 125 8.291 7.206 -7.831 1.00 0.00 H new ATOM 0 HA ASN A 125 5.972 8.054 -9.249 1.00 0.00 H new ATOM 0 HB2 ASN A 125 7.488 5.417 -8.961 1.00 0.00 H new ATOM 0 HB3 ASN A 125 6.161 5.619 -10.087 1.00 0.00 H new ATOM 0 HD21 ASN A 125 9.260 6.048 -12.100 1.00 0.00 H new ATOM 0 HD22 ASN A 125 8.467 4.764 -11.183 1.00 0.00 H new ATOM 530 N LEU A 126 5.107 5.937 -6.831 1.00 0.00 N ATOM 531 CA LEU A 126 4.004 5.596 -5.871 1.00 0.00 C ATOM 532 C LEU A 126 3.300 6.894 -5.362 1.00 0.00 C ATOM 533 O LEU A 126 2.142 7.136 -5.713 1.00 0.00 O ATOM 534 CB LEU A 126 4.334 4.677 -4.611 1.00 0.00 C ATOM 535 CG LEU A 126 5.567 3.738 -4.371 1.00 0.00 C ATOM 536 CD1 LEU A 126 5.329 2.849 -3.130 1.00 0.00 C ATOM 537 CD2 LEU A 126 5.920 2.839 -5.547 1.00 0.00 C ATOM 0 H LEU A 126 5.980 5.456 -6.615 1.00 0.00 H new ATOM 0 HA LEU A 126 3.365 4.969 -6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 126 4.332 5.358 -3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.464 4.029 -4.502 1.00 0.00 H new ATOM 0 HG LEU A 126 6.410 4.413 -4.225 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.192 2.202 -2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 126 5.186 3.480 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.441 2.237 -3.286 1.00 0.00 H new ATOM 0 HD21 LEU A 126 6.784 2.226 -5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 126 5.073 2.193 -5.778 1.00 0.00 H new ATOM 0 HD23 LEU A 126 6.156 3.453 -6.416 1.00 0.00 H new ATOM 549 N LYS A 127 4.044 7.743 -4.617 1.00 0.00 N ATOM 550 CA LYS A 127 3.554 9.030 -4.107 1.00 0.00 C ATOM 551 C LYS A 127 3.082 10.115 -5.104 1.00 0.00 C ATOM 552 O LYS A 127 2.465 11.081 -4.667 1.00 0.00 O ATOM 553 CB LYS A 127 4.781 9.636 -3.441 1.00 0.00 C ATOM 554 CG LYS A 127 4.406 10.609 -2.297 1.00 0.00 C ATOM 555 CD LYS A 127 5.643 11.297 -1.680 1.00 0.00 C ATOM 556 CE LYS A 127 5.308 12.161 -0.448 1.00 0.00 C ATOM 557 NZ LYS A 127 6.512 12.806 0.104 1.00 0.00 N ATOM 0 H LYS A 127 5.010 7.546 -4.354 1.00 0.00 H new ATOM 0 HA LYS A 127 2.668 8.793 -3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 127 5.409 8.838 -3.045 1.00 0.00 H new ATOM 0 HB3 LYS A 127 5.372 10.166 -4.187 1.00 0.00 H new ATOM 0 HG2 LYS A 127 3.724 11.369 -2.679 1.00 0.00 H new ATOM 0 HG3 LYS A 127 3.872 10.063 -1.520 1.00 0.00 H new ATOM 0 HD2 LYS A 127 6.369 10.536 -1.395 1.00 0.00 H new ATOM 0 HD3 LYS A 127 6.117 11.923 -2.436 1.00 0.00 H new ATOM 0 HE2 LYS A 127 4.580 12.924 -0.725 1.00 0.00 H new ATOM 0 HE3 LYS A 127 4.844 11.540 0.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 6.250 13.379 0.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 7.196 12.077 0.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 6.941 13.418 -0.619 1.00 0.00 H new ATOM 571 N ARG A 128 3.491 10.050 -6.380 1.00 0.00 N ATOM 572 CA ARG A 128 3.327 11.171 -7.336 1.00 0.00 C ATOM 573 C ARG A 128 1.985 11.102 -8.026 1.00 0.00 C ATOM 574 O ARG A 128 1.166 12.016 -7.874 1.00 0.00 O ATOM 575 CB ARG A 128 4.441 11.198 -8.381 1.00 0.00 C ATOM 576 CG ARG A 128 5.590 12.074 -7.839 1.00 0.00 C ATOM 577 CD ARG A 128 6.687 12.516 -8.840 1.00 0.00 C ATOM 578 NE ARG A 128 7.677 13.414 -8.189 1.00 0.00 N ATOM 579 CZ ARG A 128 8.659 14.068 -8.843 1.00 0.00 C ATOM 580 NH1 ARG A 128 8.881 13.961 -10.152 1.00 0.00 N ATOM 581 NH2 ARG A 128 9.449 14.862 -8.145 1.00 0.00 N ATOM 0 H ARG A 128 3.942 9.228 -6.782 1.00 0.00 H new ATOM 0 HA ARG A 128 3.384 12.091 -6.754 1.00 0.00 H new ATOM 0 HB2 ARG A 128 4.796 10.188 -8.584 1.00 0.00 H new ATOM 0 HB3 ARG A 128 4.069 11.600 -9.323 1.00 0.00 H new ATOM 0 HG2 ARG A 128 5.151 12.972 -7.403 1.00 0.00 H new ATOM 0 HG3 ARG A 128 6.074 11.530 -7.028 1.00 0.00 H new ATOM 0 HD2 ARG A 128 7.195 11.638 -9.238 1.00 0.00 H new ATOM 0 HD3 ARG A 128 6.227 13.029 -9.685 1.00 0.00 H new ATOM 0 HE ARG A 128 7.609 13.544 -7.180 1.00 0.00 H new ATOM 0 HH11 ARG A 128 8.290 13.356 -10.722 1.00 0.00 H new ATOM 0 HH12 ARG A 128 9.642 14.484 -10.585 1.00 0.00 H new ATOM 0 HH21 ARG A 128 9.308 14.967 -7.140 1.00 0.00 H new ATOM 0 HH22 ARG A 128 10.201 15.371 -8.610 1.00 0.00 H new ATOM 595 N VAL A 129 1.746 9.991 -8.736 1.00 0.00 N ATOM 596 CA VAL A 129 0.381 9.713 -9.250 1.00 0.00 C ATOM 597 C VAL A 129 -0.639 9.351 -8.125 1.00 0.00 C ATOM 598 O VAL A 129 -1.792 9.781 -8.243 1.00 0.00 O ATOM 599 CB VAL A 129 0.493 8.703 -10.410 1.00 0.00 C ATOM 600 CG1 VAL A 129 0.914 9.432 -11.677 1.00 0.00 C ATOM 601 CG2 VAL A 129 1.443 7.517 -10.199 1.00 0.00 C ATOM 0 H VAL A 129 2.447 9.287 -8.966 1.00 0.00 H new ATOM 0 HA VAL A 129 -0.059 10.622 -9.659 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.503 8.266 -10.479 1.00 0.00 H new ATOM 0 HG11 VAL A 129 0.994 8.719 -12.498 1.00 0.00 H new ATOM 0 HG12 VAL A 129 0.170 10.189 -11.925 1.00 0.00 H new ATOM 0 HG13 VAL A 129 1.880 9.911 -11.517 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.433 6.881 -11.084 1.00 0.00 H new ATOM 0 HG22 VAL A 129 2.454 7.887 -10.029 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.118 6.940 -9.334 1.00 0.00 H new ATOM 611 N ALA A 130 -0.261 8.603 -7.053 1.00 0.00 N ATOM 612 CA ALA A 130 -1.156 8.484 -5.845 1.00 0.00 C ATOM 613 C ALA A 130 -1.325 9.828 -5.071 1.00 0.00 C ATOM 614 O ALA A 130 -2.375 10.087 -4.477 1.00 0.00 O ATOM 615 CB ALA A 130 -0.712 7.414 -4.826 1.00 0.00 C ATOM 0 H ALA A 130 0.618 8.089 -6.989 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.107 8.180 -6.283 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -1.411 7.396 -3.990 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -0.697 6.436 -5.308 1.00 0.00 H new ATOM 0 HB3 ALA A 130 0.286 7.653 -4.459 1.00 0.00 H new ATOM 621 N LYS A 131 -0.277 10.663 -5.133 1.00 0.00 N ATOM 622 CA LYS A 131 -0.310 12.066 -4.625 1.00 0.00 C ATOM 623 C LYS A 131 -1.269 13.062 -5.332 1.00 0.00 C ATOM 624 O LYS A 131 -1.778 13.960 -4.656 1.00 0.00 O ATOM 625 CB LYS A 131 1.116 12.623 -4.633 1.00 0.00 C ATOM 626 CG LYS A 131 1.233 13.797 -3.647 1.00 0.00 C ATOM 627 CD LYS A 131 2.654 14.401 -3.555 1.00 0.00 C ATOM 628 CE LYS A 131 2.839 15.502 -2.487 1.00 0.00 C ATOM 629 NZ LYS A 131 2.138 16.758 -2.818 1.00 0.00 N ATOM 0 H LYS A 131 0.622 10.397 -5.534 1.00 0.00 H new ATOM 0 HA LYS A 131 -0.731 11.984 -3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 131 1.822 11.838 -4.361 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.379 12.955 -5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.535 14.580 -3.945 1.00 0.00 H new ATOM 0 HG3 LYS A 131 0.928 13.458 -2.657 1.00 0.00 H new ATOM 0 HD2 LYS A 131 3.360 13.596 -3.349 1.00 0.00 H new ATOM 0 HD3 LYS A 131 2.918 14.815 -4.528 1.00 0.00 H new ATOM 0 HE2 LYS A 131 2.476 15.133 -1.528 1.00 0.00 H new ATOM 0 HE3 LYS A 131 3.903 15.708 -2.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 2.301 17.456 -2.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 2.500 17.131 -3.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 1.118 16.574 -2.905 1.00 0.00 H new ATOM 643 N GLU A 132 -1.540 12.908 -6.650 1.00 0.00 N ATOM 644 CA GLU A 132 -2.633 13.654 -7.363 1.00 0.00 C ATOM 645 C GLU A 132 -4.029 13.546 -6.664 1.00 0.00 C ATOM 646 O GLU A 132 -4.688 14.569 -6.455 1.00 0.00 O ATOM 647 CB GLU A 132 -2.780 13.244 -8.851 1.00 0.00 C ATOM 648 CG GLU A 132 -1.580 13.577 -9.777 1.00 0.00 C ATOM 649 CD GLU A 132 -1.982 14.082 -11.169 1.00 0.00 C ATOM 650 OE1 GLU A 132 -2.238 13.249 -12.066 1.00 0.00 O ATOM 651 OE2 GLU A 132 -2.046 15.315 -11.368 1.00 0.00 O ATOM 0 H GLU A 132 -1.019 12.272 -7.254 1.00 0.00 H new ATOM 0 HA GLU A 132 -2.308 14.693 -7.314 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -2.958 12.169 -8.894 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -3.668 13.730 -9.254 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -0.961 14.333 -9.293 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -0.964 12.685 -9.890 1.00 0.00 H new ATOM 658 N LEU A 133 -4.443 12.319 -6.279 1.00 0.00 N ATOM 659 CA LEU A 133 -5.604 12.080 -5.368 1.00 0.00 C ATOM 660 C LEU A 133 -5.412 12.723 -3.955 1.00 0.00 C ATOM 661 O LEU A 133 -6.277 13.479 -3.503 1.00 0.00 O ATOM 662 CB LEU A 133 -5.873 10.538 -5.322 1.00 0.00 C ATOM 663 CG LEU A 133 -6.699 9.938 -4.146 1.00 0.00 C ATOM 664 CD1 LEU A 133 -8.149 10.443 -4.049 1.00 0.00 C ATOM 665 CD2 LEU A 133 -6.663 8.402 -4.174 1.00 0.00 C ATOM 0 H LEU A 133 -3.987 11.460 -6.587 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.488 12.583 -5.761 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -6.380 10.267 -6.248 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -4.905 10.037 -5.330 1.00 0.00 H new ATOM 0 HG LEU A 133 -6.206 10.301 -3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -8.643 9.969 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -8.149 11.524 -3.912 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -8.683 10.194 -4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -7.248 8.009 -3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -7.084 8.045 -5.114 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -5.632 8.061 -4.086 1.00 0.00 H new ATOM 773 N GLU A 141 5.386 5.410 6.207 1.00 0.00 N ATOM 774 CA GLU A 141 4.580 4.232 5.765 1.00 0.00 C ATOM 775 C GLU A 141 4.913 3.726 4.332 1.00 0.00 C ATOM 776 O GLU A 141 5.142 2.531 4.134 1.00 0.00 O ATOM 777 CB GLU A 141 3.070 4.582 5.803 1.00 0.00 C ATOM 778 CG GLU A 141 2.458 4.743 7.212 1.00 0.00 C ATOM 779 CD GLU A 141 0.991 5.192 7.183 1.00 0.00 C ATOM 780 OE1 GLU A 141 0.103 4.344 6.949 1.00 0.00 O ATOM 781 OE2 GLU A 141 0.720 6.394 7.400 1.00 0.00 O ATOM 0 HA GLU A 141 4.836 3.433 6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 141 2.916 5.509 5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 141 2.521 3.802 5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 141 2.531 3.794 7.744 1.00 0.00 H new ATOM 0 HG3 GLU A 141 3.043 5.470 7.775 1.00 0.00 H new ATOM 788 N LEU A 142 4.951 4.647 3.355 1.00 0.00 N ATOM 789 CA LEU A 142 5.318 4.343 1.944 1.00 0.00 C ATOM 790 C LEU A 142 6.840 3.933 1.749 1.00 0.00 C ATOM 791 O LEU A 142 7.119 3.093 0.885 1.00 0.00 O ATOM 792 CB LEU A 142 4.678 5.490 1.089 1.00 0.00 C ATOM 793 CG LEU A 142 5.564 6.567 0.429 1.00 0.00 C ATOM 794 CD1 LEU A 142 6.123 6.029 -0.893 1.00 0.00 C ATOM 795 CD2 LEU A 142 4.791 7.867 0.131 1.00 0.00 C ATOM 0 H LEU A 142 4.729 5.630 3.513 1.00 0.00 H new ATOM 0 HA LEU A 142 4.901 3.412 1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 142 4.104 5.015 0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 142 3.966 6.009 1.730 1.00 0.00 H new ATOM 0 HG LEU A 142 6.362 6.798 1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 142 6.749 6.790 -1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 142 6.719 5.137 -0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 142 5.299 5.777 -1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 142 5.461 8.591 -0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 142 3.965 7.652 -0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 142 4.400 8.279 1.061 1.00 0.00 H new ATOM 807 N GLN A 143 7.803 4.444 2.562 1.00 0.00 N ATOM 808 CA GLN A 143 9.203 3.906 2.637 1.00 0.00 C ATOM 809 C GLN A 143 9.262 2.443 3.196 1.00 0.00 C ATOM 810 O GLN A 143 10.003 1.613 2.662 1.00 0.00 O ATOM 811 CB GLN A 143 10.139 4.784 3.526 1.00 0.00 C ATOM 812 CG GLN A 143 10.720 6.075 2.913 1.00 0.00 C ATOM 813 CD GLN A 143 11.768 5.906 1.790 1.00 0.00 C ATOM 814 OE1 GLN A 143 12.025 4.822 1.265 1.00 0.00 O ATOM 815 NE2 GLN A 143 12.399 7.001 1.395 1.00 0.00 N ATOM 0 H GLN A 143 7.640 5.236 3.183 1.00 0.00 H new ATOM 0 HA GLN A 143 9.551 3.921 1.604 1.00 0.00 H new ATOM 0 HB2 GLN A 143 9.584 5.061 4.423 1.00 0.00 H new ATOM 0 HB3 GLN A 143 10.974 4.162 3.847 1.00 0.00 H new ATOM 0 HG2 GLN A 143 9.893 6.665 2.519 1.00 0.00 H new ATOM 0 HG3 GLN A 143 11.173 6.657 3.715 1.00 0.00 H new ATOM 0 HE21 GLN A 143 12.185 7.898 1.831 1.00 0.00 H new ATOM 0 HE22 GLN A 143 13.099 6.947 0.655 1.00 0.00 H new ATOM 824 N GLU A 144 8.484 2.128 4.255 1.00 0.00 N ATOM 825 CA GLU A 144 8.277 0.731 4.730 1.00 0.00 C ATOM 826 C GLU A 144 7.682 -0.245 3.679 1.00 0.00 C ATOM 827 O GLU A 144 8.123 -1.393 3.623 1.00 0.00 O ATOM 828 CB GLU A 144 7.333 0.716 5.964 1.00 0.00 C ATOM 829 CG GLU A 144 7.901 1.206 7.316 1.00 0.00 C ATOM 830 CD GLU A 144 6.811 1.498 8.355 1.00 0.00 C ATOM 831 OE1 GLU A 144 6.344 0.552 9.025 1.00 0.00 O ATOM 832 OE2 GLU A 144 6.419 2.677 8.507 1.00 0.00 O ATOM 0 H GLU A 144 7.983 2.825 4.805 1.00 0.00 H new ATOM 0 HA GLU A 144 9.281 0.378 4.967 1.00 0.00 H new ATOM 0 HB2 GLU A 144 6.462 1.327 5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 144 6.978 -0.305 6.101 1.00 0.00 H new ATOM 0 HG2 GLU A 144 8.580 0.452 7.713 1.00 0.00 H new ATOM 0 HG3 GLU A 144 8.489 2.109 7.151 1.00 0.00 H new ATOM 839 N MET A 145 6.730 0.220 2.847 1.00 0.00 N ATOM 840 CA MET A 145 6.237 -0.537 1.658 1.00 0.00 C ATOM 841 C MET A 145 7.360 -0.892 0.640 1.00 0.00 C ATOM 842 O MET A 145 7.536 -2.078 0.351 1.00 0.00 O ATOM 843 CB MET A 145 5.064 0.227 0.985 1.00 0.00 C ATOM 844 CG MET A 145 3.790 0.323 1.835 1.00 0.00 C ATOM 845 SD MET A 145 2.562 1.316 0.958 1.00 0.00 S ATOM 846 CE MET A 145 1.894 2.344 2.285 1.00 0.00 C ATOM 0 H MET A 145 6.277 1.125 2.971 1.00 0.00 H new ATOM 0 HA MET A 145 5.868 -1.497 2.020 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.398 1.235 0.740 1.00 0.00 H new ATOM 0 HB3 MET A 145 4.820 -0.265 0.044 1.00 0.00 H new ATOM 0 HG2 MET A 145 3.395 -0.673 2.033 1.00 0.00 H new ATOM 0 HG3 MET A 145 4.017 0.774 2.801 1.00 0.00 H new ATOM 0 HE1 MET A 145 1.101 2.979 1.889 1.00 0.00 H new ATOM 0 HE2 MET A 145 1.490 1.706 3.071 1.00 0.00 H new ATOM 0 HE3 MET A 145 2.687 2.968 2.696 1.00 0.00 H new ATOM 856 N ILE A 146 8.145 0.089 0.146 1.00 0.00 N ATOM 857 CA ILE A 146 9.245 -0.180 -0.836 1.00 0.00 C ATOM 858 C ILE A 146 10.381 -1.137 -0.334 1.00 0.00 C ATOM 859 O ILE A 146 10.811 -2.016 -1.087 1.00 0.00 O ATOM 860 CB ILE A 146 9.766 1.165 -1.471 1.00 0.00 C ATOM 861 CG1 ILE A 146 10.312 0.959 -2.913 1.00 0.00 C ATOM 862 CG2 ILE A 146 10.826 1.929 -0.639 1.00 0.00 C ATOM 863 CD1 ILE A 146 9.280 0.561 -3.978 1.00 0.00 C ATOM 0 H ILE A 146 8.048 1.072 0.402 1.00 0.00 H new ATOM 0 HA ILE A 146 8.796 -0.770 -1.635 1.00 0.00 H new ATOM 0 HB ILE A 146 8.873 1.789 -1.488 1.00 0.00 H new ATOM 0 HG12 ILE A 146 10.795 1.883 -3.232 1.00 0.00 H new ATOM 0 HG13 ILE A 146 11.084 0.191 -2.880 1.00 0.00 H new ATOM 0 HG21 ILE A 146 11.116 2.838 -1.166 1.00 0.00 H new ATOM 0 HG22 ILE A 146 10.407 2.190 0.333 1.00 0.00 H new ATOM 0 HG23 ILE A 146 11.702 1.297 -0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 146 9.777 0.446 -4.941 1.00 0.00 H new ATOM 0 HD12 ILE A 146 8.812 -0.382 -3.696 1.00 0.00 H new ATOM 0 HD13 ILE A 146 8.517 1.336 -4.053 1.00 0.00 H new ATOM 875 N ASP A 147 10.808 -0.989 0.932 1.00 0.00 N ATOM 876 CA ASP A 147 11.709 -1.962 1.619 1.00 0.00 C ATOM 877 C ASP A 147 11.108 -3.401 1.773 1.00 0.00 C ATOM 878 O ASP A 147 11.835 -4.366 1.529 1.00 0.00 O ATOM 879 CB ASP A 147 12.192 -1.408 2.986 1.00 0.00 C ATOM 880 CG ASP A 147 13.100 -0.166 2.922 1.00 0.00 C ATOM 881 OD1 ASP A 147 14.217 -0.263 2.366 1.00 0.00 O ATOM 882 OD2 ASP A 147 12.705 0.903 3.434 1.00 0.00 O ATOM 0 H ASP A 147 10.545 -0.196 1.517 1.00 0.00 H new ATOM 0 HA ASP A 147 12.569 -2.077 0.959 1.00 0.00 H new ATOM 0 HB2 ASP A 147 11.317 -1.164 3.588 1.00 0.00 H new ATOM 0 HB3 ASP A 147 12.728 -2.200 3.509 1.00 0.00 H new ATOM 887 N GLU A 148 9.810 -3.555 2.120 1.00 0.00 N ATOM 888 CA GLU A 148 9.075 -4.839 2.087 1.00 0.00 C ATOM 889 C GLU A 148 9.058 -5.616 0.740 1.00 0.00 C ATOM 890 O GLU A 148 9.294 -6.827 0.739 1.00 0.00 O ATOM 891 CB GLU A 148 7.610 -4.493 2.477 1.00 0.00 C ATOM 892 CG GLU A 148 7.147 -5.011 3.851 1.00 0.00 C ATOM 893 CD GLU A 148 7.708 -4.241 5.056 1.00 0.00 C ATOM 894 OE1 GLU A 148 8.898 -4.427 5.396 1.00 0.00 O ATOM 895 OE2 GLU A 148 6.963 -3.442 5.664 1.00 0.00 O ATOM 0 H GLU A 148 9.234 -2.775 2.437 1.00 0.00 H new ATOM 0 HA GLU A 148 9.597 -5.514 2.765 1.00 0.00 H new ATOM 0 HB2 GLU A 148 7.495 -3.409 2.460 1.00 0.00 H new ATOM 0 HB3 GLU A 148 6.945 -4.897 1.714 1.00 0.00 H new ATOM 0 HG2 GLU A 148 6.058 -4.973 3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 148 7.433 -6.059 3.943 1.00 0.00 H new ATOM 902 N ALA A 149 8.721 -4.924 -0.369 1.00 0.00 N ATOM 903 CA ALA A 149 8.610 -5.536 -1.723 1.00 0.00 C ATOM 904 C ALA A 149 9.807 -6.399 -2.217 1.00 0.00 C ATOM 905 O ALA A 149 9.588 -7.472 -2.786 1.00 0.00 O ATOM 906 CB ALA A 149 8.341 -4.415 -2.744 1.00 0.00 C ATOM 0 H ALA A 149 8.517 -3.925 -0.358 1.00 0.00 H new ATOM 0 HA ALA A 149 7.792 -6.251 -1.635 1.00 0.00 H new ATOM 0 HB1 ALA A 149 8.257 -4.845 -3.742 1.00 0.00 H new ATOM 0 HB2 ALA A 149 7.412 -3.905 -2.489 1.00 0.00 H new ATOM 0 HB3 ALA A 149 9.164 -3.700 -2.725 1.00 0.00 H new ATOM 1001 N VAL A 157 10.735 -2.096 -8.027 1.00 0.00 N ATOM 1002 CA VAL A 157 9.520 -2.951 -8.143 1.00 0.00 C ATOM 1003 C VAL A 157 9.163 -3.280 -9.623 1.00 0.00 C ATOM 1004 O VAL A 157 9.595 -2.616 -10.568 1.00 0.00 O ATOM 1005 CB VAL A 157 8.410 -2.178 -7.343 1.00 0.00 C ATOM 1006 CG1 VAL A 157 6.935 -2.375 -7.749 1.00 0.00 C ATOM 1007 CG2 VAL A 157 8.539 -2.427 -5.829 1.00 0.00 C ATOM 0 HA VAL A 157 9.660 -3.946 -7.720 1.00 0.00 H new ATOM 0 HB VAL A 157 8.629 -1.147 -7.621 1.00 0.00 H new ATOM 0 HG11 VAL A 157 6.296 -1.774 -7.102 1.00 0.00 H new ATOM 0 HG12 VAL A 157 6.798 -2.063 -8.784 1.00 0.00 H new ATOM 0 HG13 VAL A 157 6.667 -3.427 -7.648 1.00 0.00 H new ATOM 0 HG21 VAL A 157 7.758 -1.879 -5.302 1.00 0.00 H new ATOM 0 HG22 VAL A 157 8.435 -3.493 -5.625 1.00 0.00 H new ATOM 0 HG23 VAL A 157 9.516 -2.086 -5.486 1.00 0.00 H new ATOM 1017 N SER A 158 8.366 -4.353 -9.777 1.00 0.00 N ATOM 1018 CA SER A 158 7.948 -4.922 -11.083 1.00 0.00 C ATOM 1019 C SER A 158 6.379 -4.852 -11.170 1.00 0.00 C ATOM 1020 O SER A 158 5.683 -4.513 -10.204 1.00 0.00 O ATOM 1021 CB SER A 158 8.518 -6.395 -11.157 1.00 0.00 C ATOM 1022 OG SER A 158 9.828 -6.535 -10.608 1.00 0.00 O ATOM 0 H SER A 158 7.983 -4.864 -8.982 1.00 0.00 H new ATOM 0 HA SER A 158 8.338 -4.369 -11.937 1.00 0.00 H new ATOM 0 HB2 SER A 158 7.839 -7.064 -10.628 1.00 0.00 H new ATOM 0 HB3 SER A 158 8.535 -6.716 -12.199 1.00 0.00 H new ATOM 0 HG SER A 158 10.117 -7.468 -10.685 1.00 0.00 H new ATOM 1028 N GLU A 159 5.818 -5.178 -12.351 1.00 0.00 N ATOM 1029 CA GLU A 159 4.332 -5.261 -12.614 1.00 0.00 C ATOM 1030 C GLU A 159 3.460 -5.964 -11.520 1.00 0.00 C ATOM 1031 O GLU A 159 2.408 -5.458 -11.120 1.00 0.00 O ATOM 1032 CB GLU A 159 4.005 -5.858 -14.013 1.00 0.00 C ATOM 1033 CG GLU A 159 4.662 -7.169 -14.510 1.00 0.00 C ATOM 1034 CD GLU A 159 4.080 -7.632 -15.852 1.00 0.00 C ATOM 1035 OE1 GLU A 159 3.089 -8.396 -15.850 1.00 0.00 O ATOM 1036 OE2 GLU A 159 4.607 -7.230 -16.913 1.00 0.00 O ATOM 0 H GLU A 159 6.377 -5.398 -13.175 1.00 0.00 H new ATOM 0 HA GLU A 159 4.040 -4.211 -12.578 1.00 0.00 H new ATOM 0 HB2 GLU A 159 2.927 -6.012 -14.047 1.00 0.00 H new ATOM 0 HB3 GLU A 159 4.240 -5.088 -14.748 1.00 0.00 H new ATOM 0 HG2 GLU A 159 5.737 -7.019 -14.614 1.00 0.00 H new ATOM 0 HG3 GLU A 159 4.520 -7.951 -13.764 1.00 0.00 H new ATOM 1043 N GLN A 160 3.988 -7.086 -11.020 1.00 0.00 N ATOM 1044 CA GLN A 160 3.463 -7.858 -9.867 1.00 0.00 C ATOM 1045 C GLN A 160 3.197 -7.129 -8.513 1.00 0.00 C ATOM 1046 O GLN A 160 2.499 -7.736 -7.699 1.00 0.00 O ATOM 1047 CB GLN A 160 4.447 -9.033 -9.600 1.00 0.00 C ATOM 1048 CG GLN A 160 4.477 -10.145 -10.678 1.00 0.00 C ATOM 1049 CD GLN A 160 5.403 -11.321 -10.328 1.00 0.00 C ATOM 1050 OE1 GLN A 160 4.966 -12.349 -9.811 1.00 0.00 O ATOM 1051 NE2 GLN A 160 6.692 -11.207 -10.612 1.00 0.00 N ATOM 0 H GLN A 160 4.828 -7.506 -11.418 1.00 0.00 H new ATOM 0 HA GLN A 160 2.461 -8.143 -10.189 1.00 0.00 H new ATOM 0 HB2 GLN A 160 5.452 -8.624 -9.499 1.00 0.00 H new ATOM 0 HB3 GLN A 160 4.190 -9.487 -8.643 1.00 0.00 H new ATOM 0 HG2 GLN A 160 3.465 -10.523 -10.826 1.00 0.00 H new ATOM 0 HG3 GLN A 160 4.797 -9.712 -11.625 1.00 0.00 H new ATOM 0 HE21 GLN A 160 7.046 -10.352 -11.040 1.00 0.00 H new ATOM 0 HE22 GLN A 160 7.330 -11.974 -10.402 1.00 0.00 H new ATOM 1060 N GLU A 161 3.691 -5.905 -8.221 1.00 0.00 N ATOM 1061 CA GLU A 161 3.321 -5.216 -6.944 1.00 0.00 C ATOM 1062 C GLU A 161 2.012 -4.389 -6.990 1.00 0.00 C ATOM 1063 O GLU A 161 1.149 -4.649 -6.147 1.00 0.00 O ATOM 1064 CB GLU A 161 4.469 -4.365 -6.390 1.00 0.00 C ATOM 1065 CG GLU A 161 5.673 -5.157 -5.822 1.00 0.00 C ATOM 1066 CD GLU A 161 5.438 -5.848 -4.468 1.00 0.00 C ATOM 1067 OE1 GLU A 161 5.048 -5.169 -3.492 1.00 0.00 O ATOM 1068 OE2 GLU A 161 5.653 -7.076 -4.377 1.00 0.00 O ATOM 0 H GLU A 161 4.326 -5.381 -8.823 1.00 0.00 H new ATOM 0 HA GLU A 161 3.123 -6.041 -6.260 1.00 0.00 H new ATOM 0 HB2 GLU A 161 4.829 -3.711 -7.184 1.00 0.00 H new ATOM 0 HB3 GLU A 161 4.075 -3.723 -5.602 1.00 0.00 H new ATOM 0 HG2 GLU A 161 5.962 -5.915 -6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 161 6.517 -4.475 -5.719 1.00 0.00 H new ATOM 1075 N PHE A 162 1.808 -3.428 -7.923 1.00 0.00 N ATOM 1076 CA PHE A 162 0.433 -2.807 -8.087 1.00 0.00 C ATOM 1077 C PHE A 162 -0.594 -3.888 -8.547 1.00 0.00 C ATOM 1078 O PHE A 162 -1.619 -4.048 -7.878 1.00 0.00 O ATOM 1079 CB PHE A 162 0.404 -1.506 -8.955 1.00 0.00 C ATOM 1080 CG PHE A 162 -0.810 -0.511 -9.029 1.00 0.00 C ATOM 1081 CD1 PHE A 162 -2.093 -0.795 -8.516 1.00 0.00 C ATOM 1082 CD2 PHE A 162 -0.667 0.675 -9.785 1.00 0.00 C ATOM 1083 CE1 PHE A 162 -3.207 -0.080 -8.935 1.00 0.00 C ATOM 1084 CE2 PHE A 162 -1.782 1.394 -10.182 1.00 0.00 C ATOM 1085 CZ PHE A 162 -3.050 0.979 -9.811 1.00 0.00 C ATOM 0 H PHE A 162 2.525 -3.068 -8.553 1.00 0.00 H new ATOM 0 HA PHE A 162 0.129 -2.449 -7.104 1.00 0.00 H new ATOM 0 HB2 PHE A 162 1.261 -0.913 -8.638 1.00 0.00 H new ATOM 0 HB3 PHE A 162 0.597 -1.823 -9.980 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -2.211 -1.582 -7.785 1.00 0.00 H new ATOM 0 HD2 PHE A 162 0.319 1.023 -10.055 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -4.190 -0.349 -8.579 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -1.662 2.283 -10.784 1.00 0.00 H new ATOM 0 HZ PHE A 162 -3.919 1.484 -10.207 1.00 0.00 H new ATOM 1095 N LEU A 163 -0.279 -4.692 -9.588 1.00 0.00 N ATOM 1096 CA LEU A 163 -1.193 -5.774 -10.053 1.00 0.00 C ATOM 1097 C LEU A 163 -1.344 -6.973 -9.075 1.00 0.00 C ATOM 1098 O LEU A 163 -2.477 -7.375 -8.789 1.00 0.00 O ATOM 1099 CB LEU A 163 -0.792 -6.287 -11.468 1.00 0.00 C ATOM 1100 CG LEU A 163 -0.981 -5.381 -12.717 1.00 0.00 C ATOM 1101 CD1 LEU A 163 -0.314 -3.992 -12.667 1.00 0.00 C ATOM 1102 CD2 LEU A 163 -0.494 -6.122 -13.981 1.00 0.00 C ATOM 0 H LEU A 163 0.588 -4.618 -10.120 1.00 0.00 H new ATOM 0 HA LEU A 163 -2.173 -5.299 -10.094 1.00 0.00 H new ATOM 0 HB2 LEU A 163 0.262 -6.560 -11.425 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -1.352 -7.205 -11.648 1.00 0.00 H new ATOM 0 HG LEU A 163 -2.052 -5.182 -12.738 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -0.518 -3.457 -13.594 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -0.715 -3.426 -11.826 1.00 0.00 H new ATOM 0 HD13 LEU A 163 0.763 -4.110 -12.545 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -0.629 -5.482 -14.853 1.00 0.00 H new ATOM 0 HD22 LEU A 163 0.562 -6.370 -13.873 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -1.071 -7.038 -14.111 1.00 0.00 H new ATOM 1114 N ARG A 164 -0.231 -7.552 -8.594 1.00 0.00 N ATOM 1115 CA ARG A 164 -0.262 -8.738 -7.711 1.00 0.00 C ATOM 1116 C ARG A 164 -0.632 -8.481 -6.232 1.00 0.00 C ATOM 1117 O ARG A 164 -1.318 -9.334 -5.660 1.00 0.00 O ATOM 1118 CB ARG A 164 1.128 -9.363 -7.796 1.00 0.00 C ATOM 1119 CG ARG A 164 1.136 -10.810 -7.282 1.00 0.00 C ATOM 1120 CD ARG A 164 2.527 -11.454 -7.408 1.00 0.00 C ATOM 1121 NE ARG A 164 2.526 -12.874 -6.970 1.00 0.00 N ATOM 1122 CZ ARG A 164 3.628 -13.574 -6.637 1.00 0.00 C ATOM 1123 NH1 ARG A 164 4.863 -13.076 -6.651 1.00 0.00 N ATOM 1124 NH2 ARG A 164 3.473 -14.834 -6.272 1.00 0.00 N ATOM 0 H ARG A 164 0.710 -7.217 -8.802 1.00 0.00 H new ATOM 0 HA ARG A 164 -1.065 -9.386 -8.063 1.00 0.00 H new ATOM 0 HB2 ARG A 164 1.473 -9.343 -8.830 1.00 0.00 H new ATOM 0 HB3 ARG A 164 1.831 -8.767 -7.214 1.00 0.00 H new ATOM 0 HG2 ARG A 164 0.821 -10.827 -6.239 1.00 0.00 H new ATOM 0 HG3 ARG A 164 0.411 -11.399 -7.843 1.00 0.00 H new ATOM 0 HD2 ARG A 164 2.861 -11.395 -8.444 1.00 0.00 H new ATOM 0 HD3 ARG A 164 3.243 -10.891 -6.809 1.00 0.00 H new ATOM 0 HE ARG A 164 1.627 -13.353 -6.918 1.00 0.00 H new ATOM 0 HH11 ARG A 164 5.019 -12.106 -6.927 1.00 0.00 H new ATOM 0 HH12 ARG A 164 5.653 -13.664 -6.386 1.00 0.00 H new ATOM 0 HH21 ARG A 164 2.541 -15.247 -6.249 1.00 0.00 H new ATOM 0 HH22 ARG A 164 4.286 -15.394 -6.013 1.00 0.00 H new ATOM 1138 N ILE A 165 -0.213 -7.348 -5.614 1.00 0.00 N ATOM 1139 CA ILE A 165 -0.715 -6.980 -4.255 1.00 0.00 C ATOM 1140 C ILE A 165 -2.216 -6.483 -4.325 1.00 0.00 C ATOM 1141 O ILE A 165 -2.954 -6.845 -3.403 1.00 0.00 O ATOM 1142 CB ILE A 165 0.224 -6.016 -3.416 1.00 0.00 C ATOM 1143 CG1 ILE A 165 1.780 -6.268 -3.373 1.00 0.00 C ATOM 1144 CG2 ILE A 165 -0.284 -5.984 -1.947 1.00 0.00 C ATOM 1145 CD1 ILE A 165 2.294 -7.703 -3.225 1.00 0.00 C ATOM 0 H ILE A 165 0.452 -6.687 -6.016 1.00 0.00 H new ATOM 0 HA ILE A 165 -0.687 -7.903 -3.675 1.00 0.00 H new ATOM 0 HB ILE A 165 0.139 -5.081 -3.970 1.00 0.00 H new ATOM 0 HG12 ILE A 165 2.205 -5.859 -4.289 1.00 0.00 H new ATOM 0 HG13 ILE A 165 2.185 -5.686 -2.545 1.00 0.00 H new ATOM 0 HG21 ILE A 165 0.352 -5.325 -1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 165 -1.309 -5.615 -1.925 1.00 0.00 H new ATOM 0 HG23 ILE A 165 -0.251 -6.990 -1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 165 3.384 -7.700 -3.213 1.00 0.00 H new ATOM 0 HD12 ILE A 165 1.922 -8.128 -2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 165 1.942 -8.304 -4.064 1.00 0.00 H new ATOM 1157 N MET A 166 -2.715 -5.751 -5.365 1.00 0.00 N ATOM 1158 CA MET A 166 -4.184 -5.490 -5.515 1.00 0.00 C ATOM 1159 C MET A 166 -5.072 -6.771 -5.679 1.00 0.00 C ATOM 1160 O MET A 166 -6.116 -6.851 -5.025 1.00 0.00 O ATOM 1161 CB MET A 166 -4.431 -4.472 -6.662 1.00 0.00 C ATOM 1162 CG MET A 166 -5.830 -3.829 -6.686 1.00 0.00 C ATOM 1163 SD MET A 166 -7.048 -4.961 -7.393 1.00 0.00 S ATOM 1164 CE MET A 166 -8.587 -4.145 -6.932 1.00 0.00 C ATOM 0 H MET A 166 -2.138 -5.338 -6.098 1.00 0.00 H new ATOM 0 HA MET A 166 -4.508 -5.061 -4.567 1.00 0.00 H new ATOM 0 HB2 MET A 166 -3.687 -3.679 -6.587 1.00 0.00 H new ATOM 0 HB3 MET A 166 -4.265 -4.976 -7.614 1.00 0.00 H new ATOM 0 HG2 MET A 166 -6.126 -3.556 -5.673 1.00 0.00 H new ATOM 0 HG3 MET A 166 -5.802 -2.909 -7.269 1.00 0.00 H new ATOM 0 HE1 MET A 166 -9.432 -4.727 -7.300 1.00 0.00 H new ATOM 0 HE2 MET A 166 -8.646 -4.066 -5.846 1.00 0.00 H new ATOM 0 HE3 MET A 166 -8.615 -3.147 -7.370 1.00 0.00 H new ATOM 1174 N LYS A 167 -4.678 -7.743 -6.531 1.00 0.00 N ATOM 1175 CA LYS A 167 -5.490 -8.951 -6.819 1.00 0.00 C ATOM 1176 C LYS A 167 -5.674 -9.923 -5.632 1.00 0.00 C ATOM 1177 O LYS A 167 -6.784 -10.035 -5.103 1.00 0.00 O ATOM 1178 CB LYS A 167 -4.820 -9.669 -7.992 1.00 0.00 C ATOM 1179 CG LYS A 167 -5.758 -10.711 -8.622 1.00 0.00 C ATOM 1180 CD LYS A 167 -5.164 -11.377 -9.880 1.00 0.00 C ATOM 1181 CE LYS A 167 -6.134 -12.370 -10.549 1.00 0.00 C ATOM 1182 NZ LYS A 167 -5.538 -12.978 -11.753 1.00 0.00 N ATOM 0 H LYS A 167 -3.793 -7.715 -7.037 1.00 0.00 H new ATOM 0 HA LYS A 167 -6.503 -8.619 -7.048 1.00 0.00 H new ATOM 0 HB2 LYS A 167 -4.525 -8.940 -8.746 1.00 0.00 H new ATOM 0 HB3 LYS A 167 -3.909 -10.158 -7.648 1.00 0.00 H new ATOM 0 HG2 LYS A 167 -5.985 -11.480 -7.884 1.00 0.00 H new ATOM 0 HG3 LYS A 167 -6.701 -10.231 -8.883 1.00 0.00 H new ATOM 0 HD2 LYS A 167 -4.890 -10.605 -10.599 1.00 0.00 H new ATOM 0 HD3 LYS A 167 -4.247 -11.900 -9.609 1.00 0.00 H new ATOM 0 HE2 LYS A 167 -6.402 -13.153 -9.839 1.00 0.00 H new ATOM 0 HE3 LYS A 167 -7.056 -11.855 -10.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 167 -6.216 -13.641 -12.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 167 -5.305 -12.232 -12.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 167 -4.672 -13.490 -11.491 1.00 0.00 H new ATOM 1301 N TRP B 2 0.796 -1.970 1.358 1.00 0.00 N ATOM 1302 CA TRP B 2 0.713 -1.894 -0.132 1.00 0.00 C ATOM 1303 C TRP B 2 -0.726 -2.036 -0.717 1.00 0.00 C ATOM 1304 O TRP B 2 -0.952 -1.462 -1.777 1.00 0.00 O ATOM 1305 CB TRP B 2 1.586 -2.980 -0.801 1.00 0.00 C ATOM 1306 CG TRP B 2 3.005 -2.588 -1.188 1.00 0.00 C ATOM 1307 CD1 TRP B 2 4.144 -3.181 -0.627 1.00 0.00 C ATOM 1308 CD2 TRP B 2 3.461 -1.863 -2.290 1.00 0.00 C ATOM 1309 NE1 TRP B 2 5.300 -2.857 -1.341 1.00 0.00 N ATOM 1310 CE2 TRP B 2 4.871 -2.004 -2.345 1.00 0.00 C ATOM 1311 CE3 TRP B 2 2.778 -1.161 -3.320 1.00 0.00 C ATOM 1312 CZ2 TRP B 2 5.614 -1.396 -3.395 1.00 0.00 C ATOM 1313 CZ3 TRP B 2 3.531 -0.587 -4.348 1.00 0.00 C ATOM 1314 CH2 TRP B 2 4.922 -0.709 -4.393 1.00 0.00 C ATOM 0 HA TRP B 2 1.072 -0.890 -0.357 1.00 0.00 H new ATOM 0 HB2 TRP B 2 1.643 -3.832 -0.124 1.00 0.00 H new ATOM 0 HB3 TRP B 2 1.072 -3.321 -1.700 1.00 0.00 H new ATOM 0 HD1 TRP B 2 4.130 -3.811 0.250 1.00 0.00 H new ATOM 0 HE1 TRP B 2 6.252 -3.178 -1.162 1.00 0.00 H new ATOM 0 HE3 TRP B 2 1.702 -1.073 -3.309 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 6.692 -1.465 -3.419 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 3.025 -0.036 -5.127 1.00 0.00 H new ATOM 0 HH2 TRP B 2 5.469 -0.265 -5.212 1.00 0.00 H new ATOM 1325 N LYS B 3 -1.662 -2.797 -0.101 1.00 0.00 N ATOM 1326 CA LYS B 3 -3.088 -2.825 -0.527 1.00 0.00 C ATOM 1327 C LYS B 3 -3.841 -1.469 -0.382 1.00 0.00 C ATOM 1328 O LYS B 3 -4.558 -1.085 -1.307 1.00 0.00 O ATOM 1329 CB LYS B 3 -3.804 -3.885 0.319 1.00 0.00 C ATOM 1330 CG LYS B 3 -5.218 -4.181 -0.210 1.00 0.00 C ATOM 1331 CD LYS B 3 -6.035 -5.122 0.701 1.00 0.00 C ATOM 1332 CE LYS B 3 -7.454 -5.396 0.163 1.00 0.00 C ATOM 1333 NZ LYS B 3 -8.245 -6.204 1.107 1.00 0.00 N ATOM 0 H LYS B 3 -1.458 -3.402 0.694 1.00 0.00 H new ATOM 0 HA LYS B 3 -3.097 -3.052 -1.593 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -3.218 -4.804 0.322 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -3.867 -3.543 1.352 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -5.758 -3.241 -0.325 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -5.140 -4.627 -1.202 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -5.504 -6.068 0.808 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -6.108 -4.683 1.696 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -7.963 -4.450 -0.022 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -7.387 -5.914 -0.794 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -9.193 -6.369 0.713 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -7.772 -7.117 1.264 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -8.329 -5.698 2.011 1.00 0.00 H new ATOM 1347 N LEU B 4 -3.668 -0.749 0.748 1.00 0.00 N ATOM 1348 CA LEU B 4 -4.169 0.650 0.919 1.00 0.00 C ATOM 1349 C LEU B 4 -3.599 1.681 -0.119 1.00 0.00 C ATOM 1350 O LEU B 4 -4.382 2.447 -0.689 1.00 0.00 O ATOM 1351 CB LEU B 4 -3.937 1.065 2.402 1.00 0.00 C ATOM 1352 CG LEU B 4 -4.523 2.424 2.878 1.00 0.00 C ATOM 1353 CD1 LEU B 4 -6.051 2.542 2.702 1.00 0.00 C ATOM 1354 CD2 LEU B 4 -4.148 2.683 4.351 1.00 0.00 C ATOM 0 H LEU B 4 -3.181 -1.111 1.568 1.00 0.00 H new ATOM 0 HA LEU B 4 -5.236 0.665 0.696 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -4.351 0.282 3.037 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -2.862 1.084 2.579 1.00 0.00 H new ATOM 0 HG LEU B 4 -4.077 3.182 2.234 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -6.384 3.517 3.057 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -6.305 2.433 1.648 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -6.545 1.759 3.277 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -4.565 3.638 4.670 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -4.550 1.885 4.975 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -3.063 2.710 4.451 1.00 0.00 H new ATOM 1366 N LEU B 5 -2.273 1.672 -0.387 1.00 0.00 N ATOM 1367 CA LEU B 5 -1.664 2.435 -1.519 1.00 0.00 C ATOM 1368 C LEU B 5 -2.089 1.901 -2.931 1.00 0.00 C ATOM 1369 O LEU B 5 -2.240 2.711 -3.840 1.00 0.00 O ATOM 1370 CB LEU B 5 -0.112 2.489 -1.358 1.00 0.00 C ATOM 1371 CG LEU B 5 0.624 3.751 -1.909 1.00 0.00 C ATOM 1372 CD1 LEU B 5 2.064 3.813 -1.364 1.00 0.00 C ATOM 1373 CD2 LEU B 5 0.673 3.880 -3.445 1.00 0.00 C ATOM 0 H LEU B 5 -1.596 1.145 0.164 1.00 0.00 H new ATOM 0 HA LEU B 5 -2.057 3.451 -1.469 1.00 0.00 H new ATOM 0 HB2 LEU B 5 0.120 2.400 -0.297 1.00 0.00 H new ATOM 0 HB3 LEU B 5 0.308 1.612 -1.850 1.00 0.00 H new ATOM 0 HG LEU B 5 0.020 4.587 -1.556 1.00 0.00 H new ATOM 0 HD11 LEU B 5 2.564 4.698 -1.757 1.00 0.00 H new ATOM 0 HD12 LEU B 5 2.039 3.864 -0.275 1.00 0.00 H new ATOM 0 HD13 LEU B 5 2.609 2.921 -1.673 1.00 0.00 H new ATOM 0 HD21 LEU B 5 1.206 4.791 -3.717 1.00 0.00 H new ATOM 0 HD22 LEU B 5 1.190 3.018 -3.866 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.342 3.923 -3.839 1.00 0.00 H new ATOM 1385 N ALA B 6 -2.328 0.584 -3.122 1.00 0.00 N ATOM 1386 CA ALA B 6 -2.921 0.020 -4.360 1.00 0.00 C ATOM 1387 C ALA B 6 -4.365 0.491 -4.687 1.00 0.00 C ATOM 1388 O ALA B 6 -4.655 0.578 -5.874 1.00 0.00 O ATOM 1389 CB ALA B 6 -2.833 -1.516 -4.351 1.00 0.00 C ATOM 0 H ALA B 6 -2.114 -0.123 -2.419 1.00 0.00 H new ATOM 0 HA ALA B 6 -2.313 0.425 -5.169 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -3.273 -1.911 -5.267 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -1.788 -1.820 -4.290 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -3.376 -1.906 -3.490 1.00 0.00 H new ATOM 1395 N LYS B 7 -5.239 0.773 -3.696 1.00 0.00 N ATOM 1396 CA LYS B 7 -6.539 1.492 -3.897 1.00 0.00 C ATOM 1397 C LYS B 7 -6.331 2.990 -4.290 1.00 0.00 C ATOM 1398 O LYS B 7 -6.838 3.490 -5.317 1.00 0.00 O ATOM 1399 CB LYS B 7 -7.304 1.497 -2.568 1.00 0.00 C ATOM 1400 CG LYS B 7 -7.722 0.094 -2.085 1.00 0.00 C ATOM 1401 CD LYS B 7 -8.341 0.108 -0.671 1.00 0.00 C ATOM 1402 CE LYS B 7 -8.642 -1.300 -0.123 1.00 0.00 C ATOM 1403 NZ LYS B 7 -9.250 -1.240 1.218 1.00 0.00 N ATOM 0 H LYS B 7 -5.071 0.511 -2.725 1.00 0.00 H new ATOM 0 HA LYS B 7 -7.074 0.978 -4.696 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -6.683 1.964 -1.804 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -8.196 2.115 -2.675 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -8.441 -0.328 -2.787 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -6.851 -0.561 -2.089 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -7.660 0.618 0.011 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -9.264 0.687 -0.692 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -9.314 -1.821 -0.805 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -7.720 -1.879 -0.080 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -9.440 -2.205 1.557 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -8.598 -0.765 1.874 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -10.142 -0.708 1.171 1.00 0.00 H new ATOM 1417 N GLY B 8 -5.514 3.674 -3.446 1.00 0.00 N ATOM 1418 CA GLY B 8 -4.960 5.015 -3.744 1.00 0.00 C ATOM 1419 C GLY B 8 -4.422 5.223 -5.181 1.00 0.00 C ATOM 1420 O GLY B 8 -4.699 6.277 -5.755 1.00 0.00 O ATOM 0 H GLY B 8 -5.223 3.308 -2.540 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.736 5.757 -3.557 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.151 5.216 -3.042 1.00 0.00 H new ATOM 1424 N LEU B 9 -3.689 4.233 -5.753 1.00 0.00 N ATOM 1425 CA LEU B 9 -3.370 4.217 -7.205 1.00 0.00 C ATOM 1426 C LEU B 9 -4.363 3.428 -8.133 1.00 0.00 C ATOM 1427 O LEU B 9 -4.275 3.606 -9.349 1.00 0.00 O ATOM 1428 CB LEU B 9 -1.883 3.903 -7.485 1.00 0.00 C ATOM 1429 CG LEU B 9 -1.032 5.097 -8.035 1.00 0.00 C ATOM 1430 CD1 LEU B 9 -0.110 4.680 -9.188 1.00 0.00 C ATOM 1431 CD2 LEU B 9 -1.681 6.325 -8.699 1.00 0.00 C ATOM 0 H LEU B 9 -3.310 3.440 -5.235 1.00 0.00 H new ATOM 0 HA LEU B 9 -3.542 5.249 -7.510 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.425 3.548 -6.562 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.832 3.083 -8.201 1.00 0.00 H new ATOM 0 HG LEU B 9 -0.609 5.372 -7.069 1.00 0.00 H new ATOM 0 HD11 LEU B 9 0.457 5.545 -9.532 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.579 3.909 -8.843 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.710 4.289 -10.010 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -0.905 7.026 -9.004 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.248 6.008 -9.574 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -2.350 6.811 -7.989 1.00 0.00 H new ATOM 1443 N LEU B 10 -5.334 2.651 -7.612 1.00 0.00 N ATOM 1444 CA LEU B 10 -6.541 2.128 -8.366 1.00 0.00 C ATOM 1445 C LEU B 10 -7.394 3.299 -8.982 1.00 0.00 C ATOM 1446 O LEU B 10 -8.148 3.068 -9.927 1.00 0.00 O ATOM 1447 CB LEU B 10 -7.424 1.151 -7.527 1.00 0.00 C ATOM 1448 CG LEU B 10 -8.271 0.042 -8.222 1.00 0.00 C ATOM 1449 CD1 LEU B 10 -9.564 0.521 -8.909 1.00 0.00 C ATOM 1450 CD2 LEU B 10 -7.457 -0.870 -9.161 1.00 0.00 C ATOM 0 H LEU B 10 -5.321 2.351 -6.637 1.00 0.00 H new ATOM 0 HA LEU B 10 -6.143 1.535 -9.189 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -6.764 0.652 -6.818 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -8.113 1.763 -6.945 1.00 0.00 H new ATOM 0 HG LEU B 10 -8.595 -0.559 -7.372 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -10.074 -0.331 -9.359 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -10.217 0.986 -8.171 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -9.317 1.247 -9.684 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -8.116 -1.615 -9.606 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -7.004 -0.269 -9.950 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -6.674 -1.372 -8.592 1.00 0.00 H new ATOM 1462 N ILE B 11 -7.205 4.548 -8.475 1.00 0.00 N ATOM 1463 CA ILE B 11 -7.562 5.851 -9.158 1.00 0.00 C ATOM 1464 C ILE B 11 -7.377 5.963 -10.737 1.00 0.00 C ATOM 1465 O ILE B 11 -7.744 6.986 -11.319 1.00 0.00 O ATOM 1466 CB ILE B 11 -6.583 6.923 -8.496 1.00 0.00 C ATOM 1467 CG1 ILE B 11 -6.967 8.420 -8.683 1.00 0.00 C ATOM 1468 CG2 ILE B 11 -5.078 6.749 -8.920 1.00 0.00 C ATOM 1469 CD1 ILE B 11 -8.341 8.826 -8.128 1.00 0.00 C ATOM 0 H ILE B 11 -6.789 4.695 -7.555 1.00 0.00 H new ATOM 0 HA ILE B 11 -8.635 5.983 -9.019 1.00 0.00 H new ATOM 0 HB ILE B 11 -6.710 6.688 -7.439 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -6.205 9.035 -8.204 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -6.941 8.653 -9.747 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.472 7.512 -8.432 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -4.728 5.761 -8.621 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -4.990 6.853 -10.001 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -8.508 9.888 -8.311 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -9.119 8.246 -8.623 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -8.372 8.633 -7.056 1.00 0.00 H new ATOM 1481 N ARG B 12 -6.698 4.969 -11.352 1.00 0.00 N ATOM 1482 CA ARG B 12 -6.221 4.910 -12.767 1.00 0.00 C ATOM 1483 C ARG B 12 -6.989 5.670 -13.889 1.00 0.00 C ATOM 1484 O ARG B 12 -6.369 6.325 -14.730 1.00 0.00 O ATOM 1485 CB ARG B 12 -6.173 3.398 -13.109 1.00 0.00 C ATOM 1486 CG ARG B 12 -7.552 2.691 -13.168 1.00 0.00 C ATOM 1487 CD ARG B 12 -7.503 1.157 -13.010 1.00 0.00 C ATOM 1488 NE ARG B 12 -8.867 0.557 -13.008 1.00 0.00 N ATOM 1489 CZ ARG B 12 -9.130 -0.747 -12.816 1.00 0.00 C ATOM 1490 NH1 ARG B 12 -8.194 -1.676 -12.645 1.00 0.00 N ATOM 1491 NH2 ARG B 12 -10.394 -1.129 -12.798 1.00 0.00 N ATOM 0 H ARG B 12 -6.447 4.122 -10.842 1.00 0.00 H new ATOM 0 HA ARG B 12 -5.275 5.452 -12.774 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -5.678 3.275 -14.072 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -5.555 2.893 -12.366 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -8.189 3.102 -12.385 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -8.025 2.929 -14.121 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -6.918 0.726 -13.823 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -6.993 0.903 -12.081 1.00 0.00 H new ATOM 0 HE ARG B 12 -9.659 1.181 -13.164 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -7.208 -1.415 -12.655 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -8.462 -2.650 -12.504 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -11.136 -0.442 -12.928 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -10.628 -2.111 -12.655 1.00 0.00 H new