USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 417 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 : C 330 THR OG1 : rot -139:sc= -1.06 USER MOD Single : C 337 ASN : amide:sc= -0.0301 K(o=-0.03,f=-1.1) USER MOD Single : C 338 ASN : amide:sc= -2.85 K(o=-2.8,f=-12!) USER MOD Single : C 347 SER OG : rot -99:sc= 0.993 USER MOD Single : C 348 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 349 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.39) USER MOD Single : C 353 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 358 HIS : no HE2:sc= -0.43 K(o=-0.43,f=-9.9!) USER MOD Single : C 361 HIS : no HD1:sc= -2.45 K(o=-2.4,f=-1.2) USER MOD Single : C 362 ASN : amide:sc= -3.32! C(o=-3.3!,f=-16!) USER MOD Single : C 363 SER OG : rot 180:sc= 0 USER MOD Single : C 367 SER OG : rot 180:sc= 0 USER MOD Single : C 371 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 373 THR OG1 : rot 180:sc= 0.0277 USER MOD Single : C 374 SER OG : rot -117:sc= 0.0266 USER MOD Single : C 377 THR OG1 : rot 180:sc= 0 USER MOD Single : C 380 MET CE :methyl -176:sc= 0 (180deg=-0.00745) USER MOD Single : C 381 SER OG : rot 180:sc= 0 USER MOD Single : C 383 ASN : amide:sc= -0.195 K(o=-0.19,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA C 327 16.308 0.391 -17.138 1.00 0.00 N ATOM 2 CA ALA C 327 17.626 -0.258 -17.380 1.00 0.00 C ATOM 3 C ALA C 327 17.860 -1.336 -16.328 1.00 0.00 C ATOM 4 O ALA C 327 18.495 -1.086 -15.303 1.00 0.00 O ATOM 5 CB ALA C 327 18.733 0.796 -17.302 1.00 0.00 C ATOM 0 HA ALA C 327 17.635 -0.715 -18.370 1.00 0.00 H new ATOM 0 HB1 ALA C 327 19.699 0.323 -17.479 1.00 0.00 H new ATOM 0 HB2 ALA C 327 18.560 1.562 -18.058 1.00 0.00 H new ATOM 0 HB3 ALA C 327 18.729 1.255 -16.313 1.00 0.00 H new ATOM 11 N VAL C 328 17.338 -2.536 -16.581 1.00 0.00 N ATOM 12 CA VAL C 328 17.494 -3.651 -15.647 1.00 0.00 C ATOM 13 C VAL C 328 18.492 -4.664 -16.197 1.00 0.00 C ATOM 14 O VAL C 328 18.215 -5.358 -17.176 1.00 0.00 O ATOM 15 CB VAL C 328 16.143 -4.331 -15.429 1.00 0.00 C ATOM 16 CG1 VAL C 328 16.291 -5.425 -14.369 1.00 0.00 C ATOM 17 CG2 VAL C 328 15.117 -3.290 -14.962 1.00 0.00 C ATOM 0 H VAL C 328 16.805 -2.761 -17.421 1.00 0.00 H new ATOM 0 HA VAL C 328 17.867 -3.266 -14.698 1.00 0.00 H new ATOM 0 HB VAL C 328 15.802 -4.778 -16.363 1.00 0.00 H new ATOM 0 HG11 VAL C 328 15.328 -5.912 -14.212 1.00 0.00 H new ATOM 0 HG12 VAL C 328 17.020 -6.162 -14.706 1.00 0.00 H new ATOM 0 HG13 VAL C 328 16.631 -4.981 -13.433 1.00 0.00 H new ATOM 0 HG21 VAL C 328 14.153 -3.774 -14.806 1.00 0.00 H new ATOM 0 HG22 VAL C 328 15.453 -2.842 -14.027 1.00 0.00 H new ATOM 0 HG23 VAL C 328 15.015 -2.514 -15.721 1.00 0.00 H new ATOM 27 N ALA C 329 19.652 -4.745 -15.556 1.00 0.00 N ATOM 28 CA ALA C 329 20.690 -5.677 -15.981 1.00 0.00 C ATOM 29 C ALA C 329 20.405 -7.066 -15.431 1.00 0.00 C ATOM 30 O ALA C 329 21.045 -8.040 -15.822 1.00 0.00 O ATOM 31 CB ALA C 329 22.055 -5.207 -15.482 1.00 0.00 C ATOM 0 H ALA C 329 19.897 -4.179 -14.743 1.00 0.00 H new ATOM 0 HA ALA C 329 20.696 -5.714 -17.070 1.00 0.00 H new ATOM 0 HB1 ALA C 329 22.822 -5.910 -15.805 1.00 0.00 H new ATOM 0 HB2 ALA C 329 22.272 -4.220 -15.891 1.00 0.00 H new ATOM 0 HB3 ALA C 329 22.046 -5.155 -14.393 1.00 0.00 H new ATOM 37 N THR C 330 19.449 -7.152 -14.511 1.00 0.00 N ATOM 38 CA THR C 330 19.100 -8.437 -13.911 1.00 0.00 C ATOM 39 C THR C 330 18.100 -9.198 -14.790 1.00 0.00 C ATOM 40 O THR C 330 17.246 -8.586 -15.427 1.00 0.00 O ATOM 41 CB THR C 330 18.491 -8.221 -12.525 1.00 0.00 C ATOM 42 OG1 THR C 330 17.394 -7.322 -12.622 1.00 0.00 O ATOM 43 CG2 THR C 330 19.553 -7.644 -11.589 1.00 0.00 C ATOM 0 H THR C 330 18.908 -6.359 -14.168 1.00 0.00 H new ATOM 0 HA THR C 330 20.012 -9.027 -13.824 1.00 0.00 H new ATOM 0 HB THR C 330 18.139 -9.173 -12.128 1.00 0.00 H new ATOM 0 HG1 THR C 330 17.412 -6.701 -11.864 1.00 0.00 H new ATOM 0 HG21 THR C 330 19.121 -7.489 -10.600 1.00 0.00 H new ATOM 0 HG22 THR C 330 20.389 -8.339 -11.515 1.00 0.00 H new ATOM 0 HG23 THR C 330 19.907 -6.692 -11.984 1.00 0.00 H new ATOM 51 N PRO C 331 18.181 -10.514 -14.830 1.00 0.00 N ATOM 52 CA PRO C 331 17.248 -11.354 -15.647 1.00 0.00 C ATOM 53 C PRO C 331 15.844 -11.410 -15.050 1.00 0.00 C ATOM 54 O PRO C 331 15.649 -11.141 -13.866 1.00 0.00 O ATOM 55 CB PRO C 331 17.910 -12.736 -15.627 1.00 0.00 C ATOM 56 CG PRO C 331 18.633 -12.777 -14.324 1.00 0.00 C ATOM 57 CD PRO C 331 19.162 -11.354 -14.108 1.00 0.00 C ATOM 0 HA PRO C 331 17.105 -10.955 -16.651 1.00 0.00 H new ATOM 0 HB2 PRO C 331 17.170 -13.533 -15.697 1.00 0.00 H new ATOM 0 HB3 PRO C 331 18.594 -12.862 -16.466 1.00 0.00 H new ATOM 0 HG2 PRO C 331 17.967 -13.076 -13.514 1.00 0.00 H new ATOM 0 HG3 PRO C 331 19.448 -13.500 -14.350 1.00 0.00 H new ATOM 0 HD2 PRO C 331 19.209 -11.098 -13.049 1.00 0.00 H new ATOM 0 HD3 PRO C 331 20.168 -11.233 -14.510 1.00 0.00 H new ATOM 65 N GLU C 332 14.872 -11.774 -15.880 1.00 0.00 N ATOM 66 CA GLU C 332 13.497 -11.878 -15.421 1.00 0.00 C ATOM 67 C GLU C 332 13.420 -12.820 -14.226 1.00 0.00 C ATOM 68 O GLU C 332 12.506 -12.729 -13.406 1.00 0.00 O ATOM 69 CB GLU C 332 12.611 -12.396 -16.557 1.00 0.00 C ATOM 70 CG GLU C 332 13.114 -13.766 -17.013 1.00 0.00 C ATOM 71 CD GLU C 332 12.308 -14.242 -18.218 1.00 0.00 C ATOM 72 OE1 GLU C 332 12.004 -13.418 -19.065 1.00 0.00 O ATOM 73 OE2 GLU C 332 12.011 -15.423 -18.278 1.00 0.00 O ATOM 0 H GLU C 332 15.011 -12.000 -16.865 1.00 0.00 H new ATOM 0 HA GLU C 332 13.144 -10.893 -15.116 1.00 0.00 H new ATOM 0 HB2 GLU C 332 11.577 -12.470 -16.221 1.00 0.00 H new ATOM 0 HB3 GLU C 332 12.625 -11.695 -17.392 1.00 0.00 H new ATOM 0 HG2 GLU C 332 14.171 -13.707 -17.272 1.00 0.00 H new ATOM 0 HG3 GLU C 332 13.025 -14.485 -16.199 1.00 0.00 H new ATOM 80 N GLU C 333 14.396 -13.721 -14.131 1.00 0.00 N ATOM 81 CA GLU C 333 14.443 -14.673 -13.032 1.00 0.00 C ATOM 82 C GLU C 333 14.387 -13.945 -11.697 1.00 0.00 C ATOM 83 O GLU C 333 13.660 -14.351 -10.790 1.00 0.00 O ATOM 84 CB GLU C 333 15.737 -15.491 -13.118 1.00 0.00 C ATOM 85 CG GLU C 333 15.656 -16.458 -14.297 1.00 0.00 C ATOM 86 CD GLU C 333 16.954 -17.250 -14.409 1.00 0.00 C ATOM 87 OE1 GLU C 333 17.831 -17.032 -13.588 1.00 0.00 O ATOM 88 OE2 GLU C 333 17.052 -18.066 -15.310 1.00 0.00 O ATOM 0 H GLU C 333 15.160 -13.809 -14.801 1.00 0.00 H new ATOM 0 HA GLU C 333 13.583 -15.338 -13.105 1.00 0.00 H new ATOM 0 HB2 GLU C 333 16.592 -14.826 -13.239 1.00 0.00 H new ATOM 0 HB3 GLU C 333 15.892 -16.044 -12.191 1.00 0.00 H new ATOM 0 HG2 GLU C 333 14.815 -17.138 -14.163 1.00 0.00 H new ATOM 0 HG3 GLU C 333 15.476 -15.906 -15.220 1.00 0.00 H new ATOM 95 N LEU C 334 15.145 -12.867 -11.588 1.00 0.00 N ATOM 96 CA LEU C 334 15.162 -12.091 -10.357 1.00 0.00 C ATOM 97 C LEU C 334 13.784 -11.516 -10.067 1.00 0.00 C ATOM 98 O LEU C 334 13.310 -11.565 -8.933 1.00 0.00 O ATOM 99 CB LEU C 334 16.186 -10.953 -10.465 1.00 0.00 C ATOM 100 CG LEU C 334 16.106 -10.038 -9.227 1.00 0.00 C ATOM 101 CD1 LEU C 334 16.264 -10.863 -7.945 1.00 0.00 C ATOM 102 CD2 LEU C 334 17.224 -8.987 -9.306 1.00 0.00 C ATOM 0 H LEU C 334 15.751 -12.511 -12.327 1.00 0.00 H new ATOM 0 HA LEU C 334 15.445 -12.753 -9.538 1.00 0.00 H new ATOM 0 HB2 LEU C 334 17.190 -11.367 -10.555 1.00 0.00 H new ATOM 0 HB3 LEU C 334 15.999 -10.371 -11.368 1.00 0.00 H new ATOM 0 HG LEU C 334 15.134 -9.545 -9.207 1.00 0.00 H new ATOM 0 HD11 LEU C 334 16.206 -10.204 -7.079 1.00 0.00 H new ATOM 0 HD12 LEU C 334 15.468 -11.606 -7.890 1.00 0.00 H new ATOM 0 HD13 LEU C 334 17.231 -11.367 -7.953 1.00 0.00 H new ATOM 0 HD21 LEU C 334 17.174 -8.336 -8.433 1.00 0.00 H new ATOM 0 HD22 LEU C 334 18.192 -9.487 -9.330 1.00 0.00 H new ATOM 0 HD23 LEU C 334 17.100 -8.391 -10.211 1.00 0.00 H new ATOM 114 N ALA C 335 13.148 -10.966 -11.092 1.00 0.00 N ATOM 115 CA ALA C 335 11.831 -10.377 -10.918 1.00 0.00 C ATOM 116 C ALA C 335 10.855 -11.409 -10.368 1.00 0.00 C ATOM 117 O ALA C 335 10.120 -11.137 -9.417 1.00 0.00 O ATOM 118 CB ALA C 335 11.328 -9.836 -12.260 1.00 0.00 C ATOM 0 H ALA C 335 13.518 -10.916 -12.041 1.00 0.00 H new ATOM 0 HA ALA C 335 11.902 -9.556 -10.204 1.00 0.00 H new ATOM 0 HB1 ALA C 335 10.340 -9.395 -12.127 1.00 0.00 H new ATOM 0 HB2 ALA C 335 12.018 -9.077 -12.628 1.00 0.00 H new ATOM 0 HB3 ALA C 335 11.267 -10.651 -12.981 1.00 0.00 H new ATOM 124 N VAL C 336 10.861 -12.593 -10.961 1.00 0.00 N ATOM 125 CA VAL C 336 9.970 -13.655 -10.516 1.00 0.00 C ATOM 126 C VAL C 336 10.268 -14.013 -9.067 1.00 0.00 C ATOM 127 O VAL C 336 9.358 -14.155 -8.252 1.00 0.00 O ATOM 128 CB VAL C 336 10.155 -14.885 -11.408 1.00 0.00 C ATOM 129 CG1 VAL C 336 9.291 -16.036 -10.891 1.00 0.00 C ATOM 130 CG2 VAL C 336 9.747 -14.545 -12.846 1.00 0.00 C ATOM 0 H VAL C 336 11.466 -12.842 -11.744 1.00 0.00 H new ATOM 0 HA VAL C 336 8.938 -13.311 -10.587 1.00 0.00 H new ATOM 0 HB VAL C 336 11.203 -15.185 -11.389 1.00 0.00 H new ATOM 0 HG11 VAL C 336 9.427 -16.909 -11.530 1.00 0.00 H new ATOM 0 HG12 VAL C 336 9.587 -16.283 -9.871 1.00 0.00 H new ATOM 0 HG13 VAL C 336 8.243 -15.738 -10.903 1.00 0.00 H new ATOM 0 HG21 VAL C 336 9.880 -15.422 -13.479 1.00 0.00 H new ATOM 0 HG22 VAL C 336 8.701 -14.239 -12.865 1.00 0.00 H new ATOM 0 HG23 VAL C 336 10.370 -13.732 -13.218 1.00 0.00 H new ATOM 140 N ASN C 337 11.549 -14.151 -8.750 1.00 0.00 N ATOM 141 CA ASN C 337 11.946 -14.490 -7.394 1.00 0.00 C ATOM 142 C ASN C 337 11.408 -13.447 -6.426 1.00 0.00 C ATOM 143 O ASN C 337 10.966 -13.779 -5.324 1.00 0.00 O ATOM 144 CB ASN C 337 13.472 -14.559 -7.288 1.00 0.00 C ATOM 145 CG ASN C 337 13.887 -14.865 -5.853 1.00 0.00 C ATOM 146 OD1 ASN C 337 13.153 -15.527 -5.119 1.00 0.00 O ATOM 147 ND2 ASN C 337 15.030 -14.417 -5.405 1.00 0.00 N ATOM 0 H ASN C 337 12.321 -14.035 -9.406 1.00 0.00 H new ATOM 0 HA ASN C 337 11.533 -15.466 -7.140 1.00 0.00 H new ATOM 0 HB2 ASN C 337 13.856 -15.329 -7.957 1.00 0.00 H new ATOM 0 HB3 ASN C 337 13.909 -13.613 -7.607 1.00 0.00 H new ATOM 0 HD21 ASN C 337 15.315 -14.616 -4.446 1.00 0.00 H new ATOM 0 HD22 ASN C 337 15.637 -13.869 -6.014 1.00 0.00 H new ATOM 154 N ASN C 338 11.436 -12.185 -6.853 1.00 0.00 N ATOM 155 CA ASN C 338 10.927 -11.097 -6.024 1.00 0.00 C ATOM 156 C ASN C 338 9.441 -10.911 -6.306 1.00 0.00 C ATOM 157 O ASN C 338 8.617 -11.619 -5.740 1.00 0.00 O ATOM 158 CB ASN C 338 11.697 -9.808 -6.309 1.00 0.00 C ATOM 159 CG ASN C 338 11.272 -8.727 -5.325 1.00 0.00 C ATOM 160 OD1 ASN C 338 10.139 -8.726 -4.847 1.00 0.00 O ATOM 161 ND2 ASN C 338 12.132 -7.813 -4.979 1.00 0.00 N ATOM 0 H ASN C 338 11.802 -11.894 -7.759 1.00 0.00 H new ATOM 0 HA ASN C 338 11.064 -11.344 -4.971 1.00 0.00 H new ATOM 0 HB2 ASN C 338 12.769 -9.988 -6.226 1.00 0.00 H new ATOM 0 HB3 ASN C 338 11.507 -9.478 -7.330 1.00 0.00 H new ATOM 0 HD21 ASN C 338 11.867 -7.091 -4.308 1.00 0.00 H new ATOM 0 HD22 ASN C 338 13.070 -7.818 -5.378 1.00 0.00 H new ATOM 168 N ASP C 339 9.104 -9.968 -7.191 1.00 0.00 N ATOM 169 CA ASP C 339 7.703 -9.703 -7.548 1.00 0.00 C ATOM 170 C ASP C 339 6.997 -8.916 -6.445 1.00 0.00 C ATOM 171 O ASP C 339 5.770 -8.870 -6.396 1.00 0.00 O ATOM 172 CB ASP C 339 6.955 -11.039 -7.846 1.00 0.00 C ATOM 173 CG ASP C 339 5.997 -11.448 -6.710 1.00 0.00 C ATOM 174 OD1 ASP C 339 6.375 -11.337 -5.559 1.00 0.00 O ATOM 175 OD2 ASP C 339 4.885 -11.846 -7.015 1.00 0.00 O ATOM 0 H ASP C 339 9.779 -9.375 -7.674 1.00 0.00 H new ATOM 0 HA ASP C 339 7.690 -9.094 -8.452 1.00 0.00 H new ATOM 0 HB2 ASP C 339 6.391 -10.936 -8.773 1.00 0.00 H new ATOM 0 HB3 ASP C 339 7.685 -11.833 -8.004 1.00 0.00 H new ATOM 180 N ASP C 340 7.773 -8.303 -5.559 1.00 0.00 N ATOM 181 CA ASP C 340 7.207 -7.538 -4.454 1.00 0.00 C ATOM 182 C ASP C 340 7.940 -6.217 -4.300 1.00 0.00 C ATOM 183 O ASP C 340 9.166 -6.182 -4.193 1.00 0.00 O ATOM 184 CB ASP C 340 7.323 -8.347 -3.161 1.00 0.00 C ATOM 185 CG ASP C 340 6.684 -7.586 -2.008 1.00 0.00 C ATOM 186 OD1 ASP C 340 6.276 -6.459 -2.224 1.00 0.00 O ATOM 187 OD2 ASP C 340 6.615 -8.142 -0.922 1.00 0.00 O ATOM 0 H ASP C 340 8.793 -8.320 -5.584 1.00 0.00 H new ATOM 0 HA ASP C 340 6.157 -7.334 -4.664 1.00 0.00 H new ATOM 0 HB2 ASP C 340 6.835 -9.314 -3.283 1.00 0.00 H new ATOM 0 HB3 ASP C 340 8.372 -8.545 -2.939 1.00 0.00 H new ATOM 192 N CYS C 341 7.175 -5.135 -4.291 1.00 0.00 N ATOM 193 CA CYS C 341 7.742 -3.796 -4.157 1.00 0.00 C ATOM 194 C CYS C 341 7.526 -3.248 -2.756 1.00 0.00 C ATOM 195 O CYS C 341 6.418 -3.265 -2.241 1.00 0.00 O ATOM 196 CB CYS C 341 7.089 -2.859 -5.173 1.00 0.00 C ATOM 197 SG CYS C 341 8.205 -1.472 -5.509 1.00 0.00 S ATOM 0 H CYS C 341 6.159 -5.156 -4.375 1.00 0.00 H new ATOM 0 HA CYS C 341 8.814 -3.859 -4.342 1.00 0.00 H new ATOM 0 HB2 CYS C 341 6.872 -3.398 -6.095 1.00 0.00 H new ATOM 0 HB3 CYS C 341 6.138 -2.491 -4.787 1.00 0.00 H new ATOM 202 N ALA C 342 8.585 -2.757 -2.141 1.00 0.00 N ATOM 203 CA ALA C 342 8.467 -2.194 -0.803 1.00 0.00 C ATOM 204 C ALA C 342 7.989 -0.745 -0.883 1.00 0.00 C ATOM 205 O ALA C 342 7.564 -0.166 0.118 1.00 0.00 O ATOM 206 CB ALA C 342 9.817 -2.254 -0.095 1.00 0.00 C ATOM 0 H ALA C 342 9.525 -2.735 -2.536 1.00 0.00 H new ATOM 0 HA ALA C 342 7.739 -2.776 -0.238 1.00 0.00 H new ATOM 0 HB1 ALA C 342 9.722 -1.831 0.905 1.00 0.00 H new ATOM 0 HB2 ALA C 342 10.143 -3.291 -0.021 1.00 0.00 H new ATOM 0 HB3 ALA C 342 10.551 -1.682 -0.662 1.00 0.00 H new ATOM 212 N ILE C 343 8.072 -0.167 -2.084 1.00 0.00 N ATOM 213 CA ILE C 343 7.658 1.221 -2.301 1.00 0.00 C ATOM 214 C ILE C 343 6.207 1.314 -2.770 1.00 0.00 C ATOM 215 O ILE C 343 5.333 1.771 -2.033 1.00 0.00 O ATOM 216 CB ILE C 343 8.567 1.876 -3.343 1.00 0.00 C ATOM 217 CG1 ILE C 343 9.988 1.955 -2.785 1.00 0.00 C ATOM 218 CG2 ILE C 343 8.061 3.291 -3.654 1.00 0.00 C ATOM 219 CD1 ILE C 343 10.954 2.314 -3.912 1.00 0.00 C ATOM 0 H ILE C 343 8.421 -0.637 -2.919 1.00 0.00 H new ATOM 0 HA ILE C 343 7.741 1.742 -1.347 1.00 0.00 H new ATOM 0 HB ILE C 343 8.561 1.284 -4.258 1.00 0.00 H new ATOM 0 HG12 ILE C 343 10.039 2.704 -1.994 1.00 0.00 H new ATOM 0 HG13 ILE C 343 10.270 1.001 -2.339 1.00 0.00 H new ATOM 0 HG21 ILE C 343 8.711 3.755 -4.396 1.00 0.00 H new ATOM 0 HG22 ILE C 343 7.045 3.236 -4.044 1.00 0.00 H new ATOM 0 HG23 ILE C 343 8.068 3.888 -2.742 1.00 0.00 H new ATOM 0 HD11 ILE C 343 11.968 2.371 -3.517 1.00 0.00 H new ATOM 0 HD12 ILE C 343 10.909 1.549 -4.687 1.00 0.00 H new ATOM 0 HD13 ILE C 343 10.675 3.278 -4.337 1.00 0.00 H new ATOM 231 N CYS C 344 5.962 0.904 -4.015 1.00 0.00 N ATOM 232 CA CYS C 344 4.618 0.972 -4.588 1.00 0.00 C ATOM 233 C CYS C 344 3.738 -0.150 -4.045 1.00 0.00 C ATOM 234 O CYS C 344 2.540 -0.197 -4.314 1.00 0.00 O ATOM 235 CB CYS C 344 4.701 0.876 -6.116 1.00 0.00 C ATOM 236 SG CYS C 344 5.223 -0.790 -6.608 1.00 0.00 S ATOM 0 H CYS C 344 6.671 0.524 -4.642 1.00 0.00 H new ATOM 0 HA CYS C 344 4.171 1.925 -4.307 1.00 0.00 H new ATOM 0 HB2 CYS C 344 3.731 1.106 -6.556 1.00 0.00 H new ATOM 0 HB3 CYS C 344 5.407 1.614 -6.497 1.00 0.00 H new ATOM 241 N TRP C 345 4.338 -1.054 -3.278 1.00 0.00 N ATOM 242 CA TRP C 345 3.583 -2.165 -2.710 1.00 0.00 C ATOM 243 C TRP C 345 2.753 -2.851 -3.786 1.00 0.00 C ATOM 244 O TRP C 345 1.527 -2.771 -3.785 1.00 0.00 O ATOM 245 CB TRP C 345 2.670 -1.656 -1.595 1.00 0.00 C ATOM 246 CG TRP C 345 3.506 -1.175 -0.449 1.00 0.00 C ATOM 247 CD1 TRP C 345 3.696 0.123 -0.118 1.00 0.00 C ATOM 248 CD2 TRP C 345 4.272 -1.960 0.517 1.00 0.00 C ATOM 249 NE1 TRP C 345 4.520 0.186 0.993 1.00 0.00 N ATOM 250 CE2 TRP C 345 4.903 -1.070 1.420 1.00 0.00 C ATOM 251 CE3 TRP C 345 4.476 -3.340 0.695 1.00 0.00 C ATOM 252 CZ2 TRP C 345 5.706 -1.534 2.462 1.00 0.00 C ATOM 253 CZ3 TRP C 345 5.286 -3.809 1.745 1.00 0.00 C ATOM 254 CH2 TRP C 345 5.897 -2.906 2.627 1.00 0.00 C ATOM 0 H TRP C 345 5.329 -1.041 -3.038 1.00 0.00 H new ATOM 0 HA TRP C 345 4.286 -2.889 -2.298 1.00 0.00 H new ATOM 0 HB2 TRP C 345 2.041 -0.847 -1.966 1.00 0.00 H new ATOM 0 HB3 TRP C 345 2.003 -2.452 -1.264 1.00 0.00 H new ATOM 0 HD1 TRP C 345 3.274 0.972 -0.636 1.00 0.00 H new ATOM 0 HE1 TRP C 345 4.809 1.055 1.442 1.00 0.00 H new ATOM 0 HE3 TRP C 345 4.008 -4.043 0.022 1.00 0.00 H new ATOM 0 HZ2 TRP C 345 6.177 -0.835 3.137 1.00 0.00 H new ATOM 0 HZ3 TRP C 345 5.438 -4.871 1.873 1.00 0.00 H new ATOM 0 HH2 TRP C 345 6.515 -3.272 3.433 1.00 0.00 H new ATOM 265 N ASP C 346 3.436 -3.529 -4.704 1.00 0.00 N ATOM 266 CA ASP C 346 2.753 -4.230 -5.782 1.00 0.00 C ATOM 267 C ASP C 346 3.697 -5.231 -6.447 1.00 0.00 C ATOM 268 O ASP C 346 4.775 -5.519 -5.932 1.00 0.00 O ATOM 269 CB ASP C 346 2.247 -3.223 -6.818 1.00 0.00 C ATOM 270 CG ASP C 346 1.203 -3.871 -7.722 1.00 0.00 C ATOM 271 OD1 ASP C 346 0.566 -4.815 -7.284 1.00 0.00 O ATOM 272 OD2 ASP C 346 1.059 -3.416 -8.846 1.00 0.00 O ATOM 0 H ASP C 346 4.453 -3.607 -4.722 1.00 0.00 H new ATOM 0 HA ASP C 346 1.905 -4.773 -5.365 1.00 0.00 H new ATOM 0 HB2 ASP C 346 1.815 -2.359 -6.314 1.00 0.00 H new ATOM 0 HB3 ASP C 346 3.081 -2.858 -7.418 1.00 0.00 H new ATOM 277 N SER C 347 3.279 -5.762 -7.598 1.00 0.00 N ATOM 278 CA SER C 347 4.092 -6.731 -8.333 1.00 0.00 C ATOM 279 C SER C 347 4.039 -6.432 -9.830 1.00 0.00 C ATOM 280 O SER C 347 3.054 -5.887 -10.328 1.00 0.00 O ATOM 281 CB SER C 347 3.572 -8.145 -8.079 1.00 0.00 C ATOM 282 OG SER C 347 3.434 -8.343 -6.679 1.00 0.00 O ATOM 0 H SER C 347 2.387 -5.538 -8.039 1.00 0.00 H new ATOM 0 HA SER C 347 5.123 -6.656 -7.988 1.00 0.00 H new ATOM 0 HB2 SER C 347 2.612 -8.288 -8.576 1.00 0.00 H new ATOM 0 HB3 SER C 347 4.260 -8.880 -8.497 1.00 0.00 H new ATOM 0 HG SER C 347 4.210 -8.837 -6.341 1.00 0.00 H new ATOM 288 N MET C 348 5.098 -6.799 -10.543 1.00 0.00 N ATOM 289 CA MET C 348 5.155 -6.573 -11.983 1.00 0.00 C ATOM 290 C MET C 348 6.183 -7.505 -12.620 1.00 0.00 C ATOM 291 O MET C 348 6.197 -8.707 -12.351 1.00 0.00 O ATOM 292 CB MET C 348 5.519 -5.106 -12.274 1.00 0.00 C ATOM 293 CG MET C 348 5.089 -4.733 -13.697 1.00 0.00 C ATOM 294 SD MET C 348 3.293 -4.523 -13.738 1.00 0.00 S ATOM 295 CE MET C 348 3.245 -3.317 -15.084 1.00 0.00 C ATOM 0 H MET C 348 5.924 -7.251 -10.151 1.00 0.00 H new ATOM 0 HA MET C 348 4.175 -6.784 -12.412 1.00 0.00 H new ATOM 0 HB2 MET C 348 5.029 -4.451 -11.554 1.00 0.00 H new ATOM 0 HB3 MET C 348 6.593 -4.959 -12.159 1.00 0.00 H new ATOM 0 HG2 MET C 348 5.582 -3.813 -14.010 1.00 0.00 H new ATOM 0 HG3 MET C 348 5.393 -5.511 -14.397 1.00 0.00 H new ATOM 0 HE1 MET C 348 2.211 -3.037 -15.285 1.00 0.00 H new ATOM 0 HE2 MET C 348 3.812 -2.431 -14.799 1.00 0.00 H new ATOM 0 HE3 MET C 348 3.684 -3.755 -15.981 1.00 0.00 H new ATOM 305 N GLN C 349 7.043 -6.944 -13.473 1.00 0.00 N ATOM 306 CA GLN C 349 8.074 -7.721 -14.158 1.00 0.00 C ATOM 307 C GLN C 349 9.424 -7.012 -14.080 1.00 0.00 C ATOM 308 O GLN C 349 10.467 -7.656 -13.967 1.00 0.00 O ATOM 309 CB GLN C 349 7.682 -7.909 -15.627 1.00 0.00 C ATOM 310 CG GLN C 349 6.451 -8.817 -15.719 1.00 0.00 C ATOM 311 CD GLN C 349 6.813 -10.233 -15.278 1.00 0.00 C ATOM 312 OE1 GLN C 349 7.788 -10.803 -15.766 1.00 0.00 O ATOM 313 NE2 GLN C 349 6.083 -10.834 -14.380 1.00 0.00 N ATOM 0 H GLN C 349 7.044 -5.951 -13.705 1.00 0.00 H new ATOM 0 HA GLN C 349 8.160 -8.692 -13.670 1.00 0.00 H new ATOM 0 HB2 GLN C 349 7.468 -6.942 -16.083 1.00 0.00 H new ATOM 0 HB3 GLN C 349 8.512 -8.347 -16.182 1.00 0.00 H new ATOM 0 HG2 GLN C 349 5.652 -8.425 -15.090 1.00 0.00 H new ATOM 0 HG3 GLN C 349 6.075 -8.831 -16.742 1.00 0.00 H new ATOM 0 HE21 GLN C 349 5.275 -10.358 -13.978 1.00 0.00 H new ATOM 0 HE22 GLN C 349 6.320 -11.780 -14.080 1.00 0.00 H new ATOM 322 N ALA C 350 9.403 -5.685 -14.140 1.00 0.00 N ATOM 323 CA ALA C 350 10.639 -4.916 -14.072 1.00 0.00 C ATOM 324 C ALA C 350 11.144 -4.840 -12.633 1.00 0.00 C ATOM 325 O ALA C 350 10.376 -4.564 -11.711 1.00 0.00 O ATOM 326 CB ALA C 350 10.404 -3.504 -14.610 1.00 0.00 C ATOM 0 H ALA C 350 8.555 -5.126 -14.234 1.00 0.00 H new ATOM 0 HA ALA C 350 11.392 -5.416 -14.682 1.00 0.00 H new ATOM 0 HB1 ALA C 350 11.332 -2.935 -14.556 1.00 0.00 H new ATOM 0 HB2 ALA C 350 10.073 -3.560 -15.647 1.00 0.00 H new ATOM 0 HB3 ALA C 350 9.640 -3.009 -14.011 1.00 0.00 H new ATOM 332 N ALA C 351 12.437 -5.097 -12.448 1.00 0.00 N ATOM 333 CA ALA C 351 13.039 -5.068 -11.121 1.00 0.00 C ATOM 334 C ALA C 351 14.534 -4.794 -11.204 1.00 0.00 C ATOM 335 O ALA C 351 15.299 -5.605 -11.720 1.00 0.00 O ATOM 336 CB ALA C 351 12.800 -6.391 -10.417 1.00 0.00 C ATOM 0 H ALA C 351 13.086 -5.327 -13.201 1.00 0.00 H new ATOM 0 HA ALA C 351 12.573 -4.262 -10.554 1.00 0.00 H new ATOM 0 HB1 ALA C 351 13.253 -6.363 -9.426 1.00 0.00 H new ATOM 0 HB2 ALA C 351 11.728 -6.564 -10.322 1.00 0.00 H new ATOM 0 HB3 ALA C 351 13.248 -7.198 -10.997 1.00 0.00 H new ATOM 342 N ARG C 352 14.937 -3.635 -10.689 1.00 0.00 N ATOM 343 CA ARG C 352 16.340 -3.237 -10.696 1.00 0.00 C ATOM 344 C ARG C 352 16.903 -3.322 -9.292 1.00 0.00 C ATOM 345 O ARG C 352 16.168 -3.198 -8.314 1.00 0.00 O ATOM 346 CB ARG C 352 16.488 -1.808 -11.219 1.00 0.00 C ATOM 347 CG ARG C 352 17.981 -1.495 -11.394 1.00 0.00 C ATOM 348 CD ARG C 352 18.151 -0.248 -12.260 1.00 0.00 C ATOM 349 NE ARG C 352 19.562 -0.022 -12.551 1.00 0.00 N ATOM 350 CZ ARG C 352 19.947 1.003 -13.302 1.00 0.00 C ATOM 351 NH1 ARG C 352 19.055 1.818 -13.797 1.00 0.00 N ATOM 352 NH2 ARG C 352 21.213 1.195 -13.543 1.00 0.00 N ATOM 0 H ARG C 352 14.309 -2.954 -10.261 1.00 0.00 H new ATOM 0 HA ARG C 352 16.890 -3.912 -11.352 1.00 0.00 H new ATOM 0 HB2 ARG C 352 15.966 -1.698 -12.170 1.00 0.00 H new ATOM 0 HB3 ARG C 352 16.034 -1.103 -10.523 1.00 0.00 H new ATOM 0 HG2 ARG C 352 18.446 -1.339 -10.420 1.00 0.00 H new ATOM 0 HG3 ARG C 352 18.488 -2.342 -11.857 1.00 0.00 H new ATOM 0 HD2 ARG C 352 17.595 -0.365 -13.190 1.00 0.00 H new ATOM 0 HD3 ARG C 352 17.735 0.619 -11.747 1.00 0.00 H new ATOM 0 HE ARG C 352 20.262 -0.660 -12.173 1.00 0.00 H new ATOM 0 HH11 ARG C 352 18.064 1.667 -13.606 1.00 0.00 H new ATOM 0 HH12 ARG C 352 19.349 2.606 -14.374 1.00 0.00 H new ATOM 0 HH21 ARG C 352 21.908 0.558 -13.155 1.00 0.00 H new ATOM 0 HH22 ARG C 352 21.509 1.982 -14.120 1.00 0.00 H new ATOM 366 N LYS C 353 18.213 -3.543 -9.186 1.00 0.00 N ATOM 367 CA LYS C 353 18.860 -3.650 -7.886 1.00 0.00 C ATOM 368 C LYS C 353 19.700 -2.419 -7.589 1.00 0.00 C ATOM 369 O LYS C 353 20.657 -2.116 -8.305 1.00 0.00 O ATOM 370 CB LYS C 353 19.761 -4.887 -7.867 1.00 0.00 C ATOM 371 CG LYS C 353 20.539 -4.967 -6.540 1.00 0.00 C ATOM 372 CD LYS C 353 21.432 -6.212 -6.527 1.00 0.00 C ATOM 373 CE LYS C 353 20.606 -7.467 -6.227 1.00 0.00 C ATOM 374 NZ LYS C 353 21.529 -8.609 -5.985 1.00 0.00 N ATOM 0 H LYS C 353 18.841 -3.650 -9.982 1.00 0.00 H new ATOM 0 HA LYS C 353 18.085 -3.734 -7.124 1.00 0.00 H new ATOM 0 HB2 LYS C 353 19.158 -5.786 -7.997 1.00 0.00 H new ATOM 0 HB3 LYS C 353 20.459 -4.849 -8.703 1.00 0.00 H new ATOM 0 HG2 LYS C 353 21.148 -4.072 -6.412 1.00 0.00 H new ATOM 0 HG3 LYS C 353 19.842 -5.001 -5.702 1.00 0.00 H new ATOM 0 HD2 LYS C 353 21.929 -6.319 -7.491 1.00 0.00 H new ATOM 0 HD3 LYS C 353 22.214 -6.097 -5.776 1.00 0.00 H new ATOM 0 HE2 LYS C 353 19.974 -7.302 -5.354 1.00 0.00 H new ATOM 0 HE3 LYS C 353 19.943 -7.690 -7.063 1.00 0.00 H new ATOM 0 HZ1 LYS C 353 20.976 -9.465 -5.780 1.00 0.00 H new ATOM 0 HZ2 LYS C 353 22.113 -8.768 -6.830 1.00 0.00 H new ATOM 0 HZ3 LYS C 353 22.144 -8.393 -5.175 1.00 0.00 H new ATOM 388 N LEU C 354 19.356 -1.719 -6.519 1.00 0.00 N ATOM 389 CA LEU C 354 20.102 -0.531 -6.130 1.00 0.00 C ATOM 390 C LEU C 354 21.531 -0.907 -5.718 1.00 0.00 C ATOM 391 O LEU C 354 21.790 -2.042 -5.315 1.00 0.00 O ATOM 392 CB LEU C 354 19.375 0.146 -4.955 1.00 0.00 C ATOM 393 CG LEU C 354 18.243 1.054 -5.458 1.00 0.00 C ATOM 394 CD1 LEU C 354 17.236 1.252 -4.324 1.00 0.00 C ATOM 395 CD2 LEU C 354 18.779 2.425 -5.896 1.00 0.00 C ATOM 0 H LEU C 354 18.572 -1.950 -5.909 1.00 0.00 H new ATOM 0 HA LEU C 354 20.161 0.155 -6.975 1.00 0.00 H new ATOM 0 HB2 LEU C 354 18.967 -0.614 -4.288 1.00 0.00 H new ATOM 0 HB3 LEU C 354 20.085 0.733 -4.373 1.00 0.00 H new ATOM 0 HG LEU C 354 17.773 0.580 -6.320 1.00 0.00 H new ATOM 0 HD11 LEU C 354 16.425 1.895 -4.666 1.00 0.00 H new ATOM 0 HD12 LEU C 354 16.831 0.286 -4.024 1.00 0.00 H new ATOM 0 HD13 LEU C 354 17.733 1.717 -3.473 1.00 0.00 H new ATOM 0 HD21 LEU C 354 17.953 3.044 -6.247 1.00 0.00 H new ATOM 0 HD22 LEU C 354 19.264 2.913 -5.051 1.00 0.00 H new ATOM 0 HD23 LEU C 354 19.501 2.293 -6.702 1.00 0.00 H new ATOM 407 N PRO C 355 22.455 0.023 -5.799 1.00 0.00 N ATOM 408 CA PRO C 355 23.879 -0.217 -5.415 1.00 0.00 C ATOM 409 C PRO C 355 24.005 -0.585 -3.930 1.00 0.00 C ATOM 410 O PRO C 355 24.959 -1.254 -3.526 1.00 0.00 O ATOM 411 CB PRO C 355 24.577 1.129 -5.731 1.00 0.00 C ATOM 412 CG PRO C 355 23.475 2.144 -5.758 1.00 0.00 C ATOM 413 CD PRO C 355 22.253 1.401 -6.279 1.00 0.00 C ATOM 0 HA PRO C 355 24.325 -1.055 -5.952 1.00 0.00 H new ATOM 0 HB2 PRO C 355 25.321 1.375 -4.973 1.00 0.00 H new ATOM 0 HB3 PRO C 355 25.098 1.088 -6.687 1.00 0.00 H new ATOM 0 HG2 PRO C 355 23.292 2.552 -4.764 1.00 0.00 H new ATOM 0 HG3 PRO C 355 23.730 2.983 -6.405 1.00 0.00 H new ATOM 0 HD2 PRO C 355 21.328 1.829 -5.892 1.00 0.00 H new ATOM 0 HD3 PRO C 355 22.192 1.442 -7.367 1.00 0.00 H new ATOM 421 N CYS C 356 23.035 -0.151 -3.126 1.00 0.00 N ATOM 422 CA CYS C 356 23.055 -0.446 -1.697 1.00 0.00 C ATOM 423 C CYS C 356 22.701 -1.909 -1.436 1.00 0.00 C ATOM 424 O CYS C 356 23.357 -2.581 -0.638 1.00 0.00 O ATOM 425 CB CYS C 356 22.082 0.481 -0.957 1.00 0.00 C ATOM 426 SG CYS C 356 20.386 -0.130 -1.129 1.00 0.00 S ATOM 0 H CYS C 356 22.235 0.400 -3.437 1.00 0.00 H new ATOM 0 HA CYS C 356 24.064 -0.272 -1.323 1.00 0.00 H new ATOM 0 HB2 CYS C 356 22.351 0.536 0.098 1.00 0.00 H new ATOM 0 HB3 CYS C 356 22.155 1.492 -1.358 1.00 0.00 H new ATOM 431 N GLY C 357 21.656 -2.394 -2.111 1.00 0.00 N ATOM 432 CA GLY C 357 21.210 -3.782 -1.951 1.00 0.00 C ATOM 433 C GLY C 357 19.693 -3.849 -1.784 1.00 0.00 C ATOM 434 O GLY C 357 19.193 -4.375 -0.788 1.00 0.00 O ATOM 0 H GLY C 357 21.103 -1.848 -2.772 1.00 0.00 H new ATOM 0 HA2 GLY C 357 21.511 -4.368 -2.820 1.00 0.00 H new ATOM 0 HA3 GLY C 357 21.696 -4.227 -1.083 1.00 0.00 H new ATOM 438 N HIS C 358 18.961 -3.349 -2.777 1.00 0.00 N ATOM 439 CA HIS C 358 17.500 -3.374 -2.733 1.00 0.00 C ATOM 440 C HIS C 358 16.948 -3.579 -4.139 1.00 0.00 C ATOM 441 O HIS C 358 17.500 -3.054 -5.096 1.00 0.00 O ATOM 442 CB HIS C 358 16.980 -2.050 -2.155 1.00 0.00 C ATOM 443 CG HIS C 358 17.088 -2.081 -0.657 1.00 0.00 C ATOM 444 ND1 HIS C 358 18.107 -1.435 0.039 1.00 0.00 N ATOM 445 CD2 HIS C 358 16.322 -2.704 0.289 1.00 0.00 C ATOM 446 CE1 HIS C 358 17.917 -1.694 1.345 1.00 0.00 C ATOM 447 NE2 HIS C 358 16.845 -2.461 1.552 1.00 0.00 N ATOM 0 H HIS C 358 19.352 -2.924 -3.618 1.00 0.00 H new ATOM 0 HA HIS C 358 17.171 -4.196 -2.097 1.00 0.00 H new ATOM 0 HB2 HIS C 358 17.556 -1.215 -2.555 1.00 0.00 H new ATOM 0 HB3 HIS C 358 15.943 -1.893 -2.452 1.00 0.00 H new ATOM 0 HD1 HIS C 358 18.855 -0.872 -0.365 1.00 0.00 H new ATOM 0 HD2 HIS C 358 15.442 -3.296 0.084 1.00 0.00 H new ATOM 0 HE1 HIS C 358 18.557 -1.325 2.133 1.00 0.00 H new ATOM 455 N LEU C 359 15.857 -4.344 -4.255 1.00 0.00 N ATOM 456 CA LEU C 359 15.243 -4.622 -5.563 1.00 0.00 C ATOM 457 C LEU C 359 14.014 -3.752 -5.784 1.00 0.00 C ATOM 458 O LEU C 359 13.009 -3.922 -5.096 1.00 0.00 O ATOM 459 CB LEU C 359 14.806 -6.076 -5.612 1.00 0.00 C ATOM 460 CG LEU C 359 15.965 -6.971 -5.187 1.00 0.00 C ATOM 461 CD1 LEU C 359 15.522 -8.435 -5.232 1.00 0.00 C ATOM 462 CD2 LEU C 359 17.158 -6.749 -6.128 1.00 0.00 C ATOM 0 H LEU C 359 15.381 -4.781 -3.465 1.00 0.00 H new ATOM 0 HA LEU C 359 15.980 -4.408 -6.337 1.00 0.00 H new ATOM 0 HB2 LEU C 359 13.952 -6.232 -4.953 1.00 0.00 H new ATOM 0 HB3 LEU C 359 14.483 -6.336 -6.620 1.00 0.00 H new ATOM 0 HG LEU C 359 16.266 -6.722 -4.169 1.00 0.00 H new ATOM 0 HD11 LEU C 359 16.350 -9.075 -4.928 1.00 0.00 H new ATOM 0 HD12 LEU C 359 14.682 -8.582 -4.553 1.00 0.00 H new ATOM 0 HD13 LEU C 359 15.218 -8.692 -6.247 1.00 0.00 H new ATOM 0 HD21 LEU C 359 17.986 -7.389 -5.823 1.00 0.00 H new ATOM 0 HD22 LEU C 359 16.866 -6.994 -7.149 1.00 0.00 H new ATOM 0 HD23 LEU C 359 17.470 -5.706 -6.080 1.00 0.00 H new ATOM 474 N PHE C 360 14.108 -2.823 -6.744 1.00 0.00 N ATOM 475 CA PHE C 360 13.007 -1.893 -7.051 1.00 0.00 C ATOM 476 C PHE C 360 12.646 -1.935 -8.528 1.00 0.00 C ATOM 477 O PHE C 360 13.493 -2.125 -9.397 1.00 0.00 O ATOM 478 CB PHE C 360 13.466 -0.481 -6.656 1.00 0.00 C ATOM 479 CG PHE C 360 13.427 -0.250 -5.139 1.00 0.00 C ATOM 480 CD1 PHE C 360 12.824 -1.149 -4.225 1.00 0.00 C ATOM 481 CD2 PHE C 360 14.132 0.842 -4.632 1.00 0.00 C ATOM 482 CE1 PHE C 360 12.932 -0.928 -2.843 1.00 0.00 C ATOM 483 CE2 PHE C 360 14.222 1.061 -3.255 1.00 0.00 C ATOM 484 CZ PHE C 360 13.628 0.180 -2.362 1.00 0.00 C ATOM 0 H PHE C 360 14.937 -2.693 -7.324 1.00 0.00 H new ATOM 0 HA PHE C 360 12.115 -2.180 -6.494 1.00 0.00 H new ATOM 0 HB2 PHE C 360 14.481 -0.318 -7.018 1.00 0.00 H new ATOM 0 HB3 PHE C 360 12.830 0.255 -7.148 1.00 0.00 H new ATOM 0 HD1 PHE C 360 12.280 -2.006 -4.592 1.00 0.00 H new ATOM 0 HD2 PHE C 360 14.615 1.527 -5.313 1.00 0.00 H new ATOM 0 HE1 PHE C 360 12.474 -1.619 -2.150 1.00 0.00 H new ATOM 0 HE2 PHE C 360 14.758 1.922 -2.883 1.00 0.00 H new ATOM 0 HZ PHE C 360 13.705 0.352 -1.299 1.00 0.00 H new ATOM 494 N HIS C 361 11.365 -1.747 -8.784 1.00 0.00 N ATOM 495 CA HIS C 361 10.854 -1.767 -10.135 1.00 0.00 C ATOM 496 C HIS C 361 11.315 -0.532 -10.889 1.00 0.00 C ATOM 497 O HIS C 361 11.737 0.453 -10.287 1.00 0.00 O ATOM 498 CB HIS C 361 9.323 -1.838 -10.112 1.00 0.00 C ATOM 499 CG HIS C 361 8.883 -3.086 -9.390 1.00 0.00 C ATOM 500 ND1 HIS C 361 7.599 -3.234 -8.880 1.00 0.00 N ATOM 501 CD2 HIS C 361 9.533 -4.268 -9.116 1.00 0.00 C ATOM 502 CE1 HIS C 361 7.522 -4.471 -8.337 1.00 0.00 C ATOM 503 NE2 HIS C 361 8.672 -5.137 -8.454 1.00 0.00 N ATOM 0 H HIS C 361 10.659 -1.578 -8.068 1.00 0.00 H new ATOM 0 HA HIS C 361 11.240 -2.648 -10.647 1.00 0.00 H new ATOM 0 HB2 HIS C 361 8.916 -0.957 -9.616 1.00 0.00 H new ATOM 0 HB3 HIS C 361 8.934 -1.839 -11.130 1.00 0.00 H new ATOM 0 HD2 HIS C 361 10.558 -4.488 -9.376 1.00 0.00 H new ATOM 0 HE1 HIS C 361 6.636 -4.871 -7.866 1.00 0.00 H new ATOM 0 HE2 HIS C 361 8.876 -6.082 -8.128 1.00 0.00 H new ATOM 511 N ASN C 362 11.247 -0.596 -12.208 1.00 0.00 N ATOM 512 CA ASN C 362 11.678 0.519 -13.031 1.00 0.00 C ATOM 513 C ASN C 362 10.842 1.762 -12.742 1.00 0.00 C ATOM 514 O ASN C 362 11.382 2.829 -12.447 1.00 0.00 O ATOM 515 CB ASN C 362 11.543 0.141 -14.503 1.00 0.00 C ATOM 516 CG ASN C 362 10.177 -0.492 -14.754 1.00 0.00 C ATOM 517 OD1 ASN C 362 9.418 -0.732 -13.813 1.00 0.00 O ATOM 518 ND2 ASN C 362 9.815 -0.779 -15.976 1.00 0.00 N ATOM 0 H ASN C 362 10.900 -1.402 -12.728 1.00 0.00 H new ATOM 0 HA ASN C 362 12.719 0.743 -12.799 1.00 0.00 H new ATOM 0 HB2 ASN C 362 11.663 1.026 -15.127 1.00 0.00 H new ATOM 0 HB3 ASN C 362 12.333 -0.556 -14.782 1.00 0.00 H new ATOM 0 HD21 ASN C 362 8.904 -1.202 -16.152 1.00 0.00 H new ATOM 0 HD22 ASN C 362 10.444 -0.580 -16.754 1.00 0.00 H new ATOM 525 N SER C 363 9.524 1.622 -12.828 1.00 0.00 N ATOM 526 CA SER C 363 8.629 2.744 -12.574 1.00 0.00 C ATOM 527 C SER C 363 8.778 3.244 -11.141 1.00 0.00 C ATOM 528 O SER C 363 8.781 4.451 -10.891 1.00 0.00 O ATOM 529 CB SER C 363 7.184 2.315 -12.820 1.00 0.00 C ATOM 530 OG SER C 363 6.988 2.108 -14.213 1.00 0.00 O ATOM 0 H SER C 363 9.054 0.749 -13.070 1.00 0.00 H new ATOM 0 HA SER C 363 8.892 3.556 -13.252 1.00 0.00 H new ATOM 0 HB2 SER C 363 6.965 1.400 -12.270 1.00 0.00 H new ATOM 0 HB3 SER C 363 6.498 3.079 -12.454 1.00 0.00 H new ATOM 0 HG SER C 363 6.062 1.831 -14.375 1.00 0.00 H new ATOM 536 N CYS C 364 8.896 2.310 -10.207 1.00 0.00 N ATOM 537 CA CYS C 364 9.040 2.666 -8.799 1.00 0.00 C ATOM 538 C CYS C 364 10.393 3.301 -8.532 1.00 0.00 C ATOM 539 O CYS C 364 10.485 4.329 -7.866 1.00 0.00 O ATOM 540 CB CYS C 364 8.895 1.420 -7.932 1.00 0.00 C ATOM 541 SG CYS C 364 7.282 0.673 -8.247 1.00 0.00 S ATOM 0 H CYS C 364 8.895 1.307 -10.395 1.00 0.00 H new ATOM 0 HA CYS C 364 8.259 3.386 -8.552 1.00 0.00 H new ATOM 0 HB2 CYS C 364 9.690 0.709 -8.157 1.00 0.00 H new ATOM 0 HB3 CYS C 364 8.990 1.681 -6.878 1.00 0.00 H new ATOM 546 N LEU C 365 11.443 2.678 -9.047 1.00 0.00 N ATOM 547 CA LEU C 365 12.787 3.196 -8.841 1.00 0.00 C ATOM 548 C LEU C 365 12.943 4.567 -9.479 1.00 0.00 C ATOM 549 O LEU C 365 13.459 5.493 -8.858 1.00 0.00 O ATOM 550 CB LEU C 365 13.818 2.228 -9.439 1.00 0.00 C ATOM 551 CG LEU C 365 15.229 2.834 -9.391 1.00 0.00 C ATOM 552 CD1 LEU C 365 15.574 3.260 -7.966 1.00 0.00 C ATOM 553 CD2 LEU C 365 16.248 1.792 -9.871 1.00 0.00 C ATOM 0 H LEU C 365 11.392 1.825 -9.603 1.00 0.00 H new ATOM 0 HA LEU C 365 12.956 3.291 -7.768 1.00 0.00 H new ATOM 0 HB2 LEU C 365 13.803 1.288 -8.888 1.00 0.00 H new ATOM 0 HB3 LEU C 365 13.551 1.998 -10.470 1.00 0.00 H new ATOM 0 HG LEU C 365 15.260 3.709 -10.040 1.00 0.00 H new ATOM 0 HD11 LEU C 365 16.576 3.688 -7.947 1.00 0.00 H new ATOM 0 HD12 LEU C 365 14.855 4.005 -7.625 1.00 0.00 H new ATOM 0 HD13 LEU C 365 15.537 2.392 -7.308 1.00 0.00 H new ATOM 0 HD21 LEU C 365 17.250 2.220 -9.838 1.00 0.00 H new ATOM 0 HD22 LEU C 365 16.206 0.917 -9.223 1.00 0.00 H new ATOM 0 HD23 LEU C 365 16.013 1.498 -10.894 1.00 0.00 H new ATOM 565 N ARG C 366 12.514 4.685 -10.723 1.00 0.00 N ATOM 566 CA ARG C 366 12.640 5.944 -11.433 1.00 0.00 C ATOM 567 C ARG C 366 11.878 7.036 -10.700 1.00 0.00 C ATOM 568 O ARG C 366 12.384 8.140 -10.505 1.00 0.00 O ATOM 569 CB ARG C 366 12.121 5.786 -12.860 1.00 0.00 C ATOM 570 CG ARG C 366 12.487 7.021 -13.677 1.00 0.00 C ATOM 571 CD ARG C 366 12.179 6.760 -15.154 1.00 0.00 C ATOM 572 NE ARG C 366 13.094 5.755 -15.689 1.00 0.00 N ATOM 573 CZ ARG C 366 12.907 5.223 -16.893 1.00 0.00 C ATOM 574 NH1 ARG C 366 11.890 5.594 -17.620 1.00 0.00 N ATOM 575 NH2 ARG C 366 13.744 4.329 -17.347 1.00 0.00 N ATOM 0 H ARG C 366 12.080 3.933 -11.257 1.00 0.00 H new ATOM 0 HA ARG C 366 13.691 6.230 -11.475 1.00 0.00 H new ATOM 0 HB2 ARG C 366 12.550 4.895 -13.317 1.00 0.00 H new ATOM 0 HB3 ARG C 366 11.039 5.650 -12.852 1.00 0.00 H new ATOM 0 HG2 ARG C 366 11.924 7.885 -13.323 1.00 0.00 H new ATOM 0 HG3 ARG C 366 13.544 7.255 -13.550 1.00 0.00 H new ATOM 0 HD2 ARG C 366 11.149 6.420 -15.264 1.00 0.00 H new ATOM 0 HD3 ARG C 366 12.272 7.686 -15.722 1.00 0.00 H new ATOM 0 HE ARG C 366 13.892 5.456 -15.128 1.00 0.00 H new ATOM 0 HH11 ARG C 366 11.237 6.293 -17.265 1.00 0.00 H new ATOM 0 HH12 ARG C 366 11.747 5.185 -18.544 1.00 0.00 H new ATOM 0 HH21 ARG C 366 14.540 4.040 -16.778 1.00 0.00 H new ATOM 0 HH22 ARG C 366 13.602 3.920 -18.270 1.00 0.00 H new ATOM 589 N SER C 367 10.658 6.715 -10.303 1.00 0.00 N ATOM 590 CA SER C 367 9.828 7.680 -9.598 1.00 0.00 C ATOM 591 C SER C 367 10.547 8.169 -8.347 1.00 0.00 C ATOM 592 O SER C 367 10.560 9.365 -8.049 1.00 0.00 O ATOM 593 CB SER C 367 8.496 7.035 -9.210 1.00 0.00 C ATOM 594 OG SER C 367 7.690 7.992 -8.536 1.00 0.00 O ATOM 0 H SER C 367 10.223 5.805 -10.454 1.00 0.00 H new ATOM 0 HA SER C 367 9.637 8.529 -10.254 1.00 0.00 H new ATOM 0 HB2 SER C 367 7.982 6.671 -10.100 1.00 0.00 H new ATOM 0 HB3 SER C 367 8.670 6.172 -8.567 1.00 0.00 H new ATOM 0 HG SER C 367 6.835 7.583 -8.287 1.00 0.00 H new ATOM 600 N TRP C 368 11.154 7.235 -7.625 1.00 0.00 N ATOM 601 CA TRP C 368 11.882 7.581 -6.413 1.00 0.00 C ATOM 602 C TRP C 368 13.074 8.472 -6.744 1.00 0.00 C ATOM 603 O TRP C 368 13.335 9.453 -6.055 1.00 0.00 O ATOM 604 CB TRP C 368 12.371 6.312 -5.714 1.00 0.00 C ATOM 605 CG TRP C 368 12.860 6.656 -4.343 1.00 0.00 C ATOM 606 CD1 TRP C 368 14.159 6.716 -3.971 1.00 0.00 C ATOM 607 CD2 TRP C 368 12.079 6.993 -3.161 1.00 0.00 C ATOM 608 NE1 TRP C 368 14.223 7.058 -2.632 1.00 0.00 N ATOM 609 CE2 TRP C 368 12.968 7.242 -2.091 1.00 0.00 C ATOM 610 CE3 TRP C 368 10.698 7.103 -2.915 1.00 0.00 C ATOM 611 CZ2 TRP C 368 12.506 7.587 -0.820 1.00 0.00 C ATOM 612 CZ3 TRP C 368 10.230 7.453 -1.638 1.00 0.00 C ATOM 613 CH2 TRP C 368 11.134 7.693 -0.592 1.00 0.00 C ATOM 0 H TRP C 368 11.157 6.241 -7.856 1.00 0.00 H new ATOM 0 HA TRP C 368 11.208 8.122 -5.749 1.00 0.00 H new ATOM 0 HB2 TRP C 368 11.562 5.584 -5.651 1.00 0.00 H new ATOM 0 HB3 TRP C 368 13.172 5.851 -6.292 1.00 0.00 H new ATOM 0 HD1 TRP C 368 15.007 6.528 -4.613 1.00 0.00 H new ATOM 0 HE1 TRP C 368 15.092 7.161 -2.109 1.00 0.00 H new ATOM 0 HE3 TRP C 368 9.994 6.917 -3.713 1.00 0.00 H new ATOM 0 HZ2 TRP C 368 13.206 7.771 -0.018 1.00 0.00 H new ATOM 0 HZ3 TRP C 368 9.168 7.538 -1.460 1.00 0.00 H new ATOM 0 HH2 TRP C 368 10.768 7.959 0.388 1.00 0.00 H new ATOM 624 N LEU C 369 13.799 8.117 -7.799 1.00 0.00 N ATOM 625 CA LEU C 369 14.968 8.896 -8.199 1.00 0.00 C ATOM 626 C LEU C 369 14.557 10.315 -8.565 1.00 0.00 C ATOM 627 O LEU C 369 15.269 11.277 -8.273 1.00 0.00 O ATOM 628 CB LEU C 369 15.667 8.229 -9.388 1.00 0.00 C ATOM 629 CG LEU C 369 16.299 6.902 -8.946 1.00 0.00 C ATOM 630 CD1 LEU C 369 16.710 6.106 -10.189 1.00 0.00 C ATOM 631 CD2 LEU C 369 17.541 7.135 -8.061 1.00 0.00 C ATOM 0 H LEU C 369 13.603 7.307 -8.386 1.00 0.00 H new ATOM 0 HA LEU C 369 15.662 8.937 -7.360 1.00 0.00 H new ATOM 0 HB2 LEU C 369 14.950 8.051 -10.189 1.00 0.00 H new ATOM 0 HB3 LEU C 369 16.434 8.892 -9.788 1.00 0.00 H new ATOM 0 HG LEU C 369 15.563 6.350 -8.361 1.00 0.00 H new ATOM 0 HD11 LEU C 369 17.160 5.161 -9.884 1.00 0.00 H new ATOM 0 HD12 LEU C 369 15.830 5.908 -10.801 1.00 0.00 H new ATOM 0 HD13 LEU C 369 17.432 6.682 -10.767 1.00 0.00 H new ATOM 0 HD21 LEU C 369 17.963 6.174 -7.766 1.00 0.00 H new ATOM 0 HD22 LEU C 369 18.285 7.702 -8.620 1.00 0.00 H new ATOM 0 HD23 LEU C 369 17.253 7.694 -7.170 1.00 0.00 H new ATOM 643 N GLU C 370 13.400 10.440 -9.196 1.00 0.00 N ATOM 644 CA GLU C 370 12.900 11.747 -9.583 1.00 0.00 C ATOM 645 C GLU C 370 12.587 12.583 -8.346 1.00 0.00 C ATOM 646 O GLU C 370 12.809 13.794 -8.332 1.00 0.00 O ATOM 647 CB GLU C 370 11.640 11.591 -10.431 1.00 0.00 C ATOM 648 CG GLU C 370 11.211 12.958 -10.965 1.00 0.00 C ATOM 649 CD GLU C 370 9.969 12.809 -11.837 1.00 0.00 C ATOM 650 OE1 GLU C 370 9.363 11.751 -11.794 1.00 0.00 O ATOM 651 OE2 GLU C 370 9.647 13.752 -12.539 1.00 0.00 O ATOM 0 H GLU C 370 12.795 9.659 -9.449 1.00 0.00 H new ATOM 0 HA GLU C 370 13.667 12.255 -10.167 1.00 0.00 H new ATOM 0 HB2 GLU C 370 11.829 10.908 -11.259 1.00 0.00 H new ATOM 0 HB3 GLU C 370 10.839 11.154 -9.834 1.00 0.00 H new ATOM 0 HG2 GLU C 370 11.004 13.634 -10.135 1.00 0.00 H new ATOM 0 HG3 GLU C 370 12.021 13.402 -11.544 1.00 0.00 H new ATOM 658 N GLN C 371 12.068 11.931 -7.305 1.00 0.00 N ATOM 659 CA GLN C 371 11.730 12.634 -6.065 1.00 0.00 C ATOM 660 C GLN C 371 12.958 12.771 -5.168 1.00 0.00 C ATOM 661 O GLN C 371 13.328 13.876 -4.767 1.00 0.00 O ATOM 662 CB GLN C 371 10.628 11.872 -5.317 1.00 0.00 C ATOM 663 CG GLN C 371 10.215 12.654 -4.063 1.00 0.00 C ATOM 664 CD GLN C 371 9.130 11.893 -3.309 1.00 0.00 C ATOM 665 OE1 GLN C 371 9.340 10.752 -2.901 1.00 0.00 O ATOM 666 NE2 GLN C 371 7.980 12.469 -3.088 1.00 0.00 N ATOM 0 H GLN C 371 11.874 10.930 -7.294 1.00 0.00 H new ATOM 0 HA GLN C 371 11.374 13.632 -6.322 1.00 0.00 H new ATOM 0 HB2 GLN C 371 9.766 11.729 -5.968 1.00 0.00 H new ATOM 0 HB3 GLN C 371 10.984 10.880 -5.038 1.00 0.00 H new ATOM 0 HG2 GLN C 371 11.080 12.806 -3.417 1.00 0.00 H new ATOM 0 HG3 GLN C 371 9.850 13.642 -4.344 1.00 0.00 H new ATOM 0 HE21 GLN C 371 7.810 13.415 -3.428 1.00 0.00 H new ATOM 0 HE22 GLN C 371 7.251 11.973 -2.575 1.00 0.00 H new ATOM 675 N ASP C 372 13.578 11.637 -4.851 1.00 0.00 N ATOM 676 CA ASP C 372 14.762 11.619 -3.995 1.00 0.00 C ATOM 677 C ASP C 372 15.709 10.492 -4.409 1.00 0.00 C ATOM 678 O ASP C 372 15.273 9.383 -4.715 1.00 0.00 O ATOM 679 CB ASP C 372 14.348 11.415 -2.537 1.00 0.00 C ATOM 680 CG ASP C 372 15.524 11.716 -1.615 1.00 0.00 C ATOM 681 OD1 ASP C 372 16.641 11.748 -2.105 1.00 0.00 O ATOM 682 OD2 ASP C 372 15.293 11.909 -0.434 1.00 0.00 O ATOM 0 H ASP C 372 13.280 10.717 -5.175 1.00 0.00 H new ATOM 0 HA ASP C 372 15.276 12.574 -4.103 1.00 0.00 H new ATOM 0 HB2 ASP C 372 13.509 12.066 -2.294 1.00 0.00 H new ATOM 0 HB3 ASP C 372 14.010 10.390 -2.386 1.00 0.00 H new ATOM 687 N THR C 373 17.007 10.791 -4.412 1.00 0.00 N ATOM 688 CA THR C 373 18.026 9.809 -4.784 1.00 0.00 C ATOM 689 C THR C 373 18.570 9.114 -3.541 1.00 0.00 C ATOM 690 O THR C 373 19.653 8.532 -3.568 1.00 0.00 O ATOM 691 CB THR C 373 19.174 10.508 -5.516 1.00 0.00 C ATOM 692 OG1 THR C 373 19.569 11.660 -4.787 1.00 0.00 O ATOM 693 CG2 THR C 373 18.714 10.918 -6.916 1.00 0.00 C ATOM 0 H THR C 373 17.379 11.707 -4.161 1.00 0.00 H new ATOM 0 HA THR C 373 17.572 9.065 -5.439 1.00 0.00 H new ATOM 0 HB THR C 373 20.020 9.826 -5.600 1.00 0.00 H new ATOM 0 HG1 THR C 373 20.305 12.107 -5.255 1.00 0.00 H new ATOM 0 HG21 THR C 373 19.532 11.416 -7.437 1.00 0.00 H new ATOM 0 HG22 THR C 373 18.414 10.031 -7.475 1.00 0.00 H new ATOM 0 HG23 THR C 373 17.867 11.600 -6.836 1.00 0.00 H new ATOM 701 N SER C 374 17.806 9.175 -2.449 1.00 0.00 N ATOM 702 CA SER C 374 18.219 8.541 -1.199 1.00 0.00 C ATOM 703 C SER C 374 17.665 7.129 -1.111 1.00 0.00 C ATOM 704 O SER C 374 16.662 6.808 -1.740 1.00 0.00 O ATOM 705 CB SER C 374 17.743 9.361 0.000 1.00 0.00 C ATOM 706 OG SER C 374 16.410 8.987 0.335 1.00 0.00 O ATOM 0 H SER C 374 16.906 9.653 -2.406 1.00 0.00 H new ATOM 0 HA SER C 374 19.308 8.494 -1.184 1.00 0.00 H new ATOM 0 HB2 SER C 374 18.403 9.196 0.852 1.00 0.00 H new ATOM 0 HB3 SER C 374 17.785 10.425 -0.234 1.00 0.00 H new ATOM 0 HG SER C 374 15.815 9.756 0.217 1.00 0.00 H new ATOM 712 N CYS C 375 18.324 6.290 -0.320 1.00 0.00 N ATOM 713 CA CYS C 375 17.877 4.912 -0.160 1.00 0.00 C ATOM 714 C CYS C 375 16.718 4.838 0.862 1.00 0.00 C ATOM 715 O CYS C 375 16.916 5.133 2.031 1.00 0.00 O ATOM 716 CB CYS C 375 19.031 4.034 0.308 1.00 0.00 C ATOM 717 SG CYS C 375 18.383 2.390 0.695 1.00 0.00 S ATOM 0 H CYS C 375 19.158 6.535 0.214 1.00 0.00 H new ATOM 0 HA CYS C 375 17.523 4.550 -1.125 1.00 0.00 H new ATOM 0 HB2 CYS C 375 19.794 3.967 -0.467 1.00 0.00 H new ATOM 0 HB3 CYS C 375 19.506 4.470 1.187 1.00 0.00 H new ATOM 722 N PRO C 376 15.517 4.458 0.463 1.00 0.00 N ATOM 723 CA PRO C 376 14.350 4.373 1.404 1.00 0.00 C ATOM 724 C PRO C 376 14.655 3.594 2.685 1.00 0.00 C ATOM 725 O PRO C 376 14.028 3.817 3.722 1.00 0.00 O ATOM 726 CB PRO C 376 13.265 3.654 0.586 1.00 0.00 C ATOM 727 CG PRO C 376 13.613 3.897 -0.846 1.00 0.00 C ATOM 728 CD PRO C 376 15.135 4.063 -0.903 1.00 0.00 C ATOM 0 HA PRO C 376 14.058 5.364 1.750 1.00 0.00 H new ATOM 0 HB2 PRO C 376 13.248 2.587 0.810 1.00 0.00 H new ATOM 0 HB3 PRO C 376 12.275 4.044 0.820 1.00 0.00 H new ATOM 0 HG2 PRO C 376 13.290 3.064 -1.470 1.00 0.00 H new ATOM 0 HG3 PRO C 376 13.111 4.789 -1.221 1.00 0.00 H new ATOM 0 HD2 PRO C 376 15.624 3.135 -1.199 1.00 0.00 H new ATOM 0 HD3 PRO C 376 15.424 4.821 -1.630 1.00 0.00 H new ATOM 736 N THR C 377 15.611 2.676 2.608 1.00 0.00 N ATOM 737 CA THR C 377 15.984 1.856 3.762 1.00 0.00 C ATOM 738 C THR C 377 17.323 2.298 4.332 1.00 0.00 C ATOM 739 O THR C 377 17.394 2.807 5.453 1.00 0.00 O ATOM 740 CB THR C 377 16.054 0.388 3.338 1.00 0.00 C ATOM 741 OG1 THR C 377 14.747 -0.064 3.009 1.00 0.00 O ATOM 742 CG2 THR C 377 16.616 -0.460 4.481 1.00 0.00 C ATOM 0 H THR C 377 16.144 2.478 1.761 1.00 0.00 H new ATOM 0 HA THR C 377 15.229 1.979 4.539 1.00 0.00 H new ATOM 0 HB THR C 377 16.708 0.292 2.471 1.00 0.00 H new ATOM 0 HG1 THR C 377 14.785 -1.004 2.735 1.00 0.00 H new ATOM 0 HG21 THR C 377 16.662 -1.504 4.171 1.00 0.00 H new ATOM 0 HG22 THR C 377 17.617 -0.112 4.734 1.00 0.00 H new ATOM 0 HG23 THR C 377 15.969 -0.369 5.354 1.00 0.00 H new ATOM 750 N CYS C 378 18.381 2.092 3.567 1.00 0.00 N ATOM 751 CA CYS C 378 19.712 2.464 4.024 1.00 0.00 C ATOM 752 C CYS C 378 19.787 3.963 4.308 1.00 0.00 C ATOM 753 O CYS C 378 20.621 4.411 5.090 1.00 0.00 O ATOM 754 CB CYS C 378 20.764 2.089 2.976 1.00 0.00 C ATOM 755 SG CYS C 378 20.603 0.338 2.545 1.00 0.00 S ATOM 0 H CYS C 378 18.348 1.674 2.637 1.00 0.00 H new ATOM 0 HA CYS C 378 19.914 1.918 4.946 1.00 0.00 H new ATOM 0 HB2 CYS C 378 20.639 2.705 2.086 1.00 0.00 H new ATOM 0 HB3 CYS C 378 21.763 2.287 3.363 1.00 0.00 H new ATOM 760 N ARG C 379 18.910 4.733 3.668 1.00 0.00 N ATOM 761 CA ARG C 379 18.895 6.181 3.860 1.00 0.00 C ATOM 762 C ARG C 379 20.197 6.796 3.355 1.00 0.00 C ATOM 763 O ARG C 379 20.550 7.919 3.714 1.00 0.00 O ATOM 764 CB ARG C 379 18.700 6.514 5.347 1.00 0.00 C ATOM 765 CG ARG C 379 18.109 7.922 5.487 1.00 0.00 C ATOM 766 CD ARG C 379 18.015 8.293 6.964 1.00 0.00 C ATOM 767 NE ARG C 379 19.353 8.402 7.536 1.00 0.00 N ATOM 768 CZ ARG C 379 20.050 9.532 7.457 1.00 0.00 C ATOM 769 NH1 ARG C 379 19.543 10.572 6.851 1.00 0.00 N ATOM 770 NH2 ARG C 379 21.243 9.601 7.981 1.00 0.00 N ATOM 0 H ARG C 379 18.207 4.383 3.018 1.00 0.00 H new ATOM 0 HA ARG C 379 18.065 6.599 3.290 1.00 0.00 H new ATOM 0 HB2 ARG C 379 18.037 5.783 5.810 1.00 0.00 H new ATOM 0 HB3 ARG C 379 19.654 6.456 5.871 1.00 0.00 H new ATOM 0 HG2 ARG C 379 18.733 8.643 4.959 1.00 0.00 H new ATOM 0 HG3 ARG C 379 17.121 7.960 5.029 1.00 0.00 H new ATOM 0 HD2 ARG C 379 17.484 9.238 7.077 1.00 0.00 H new ATOM 0 HD3 ARG C 379 17.441 7.538 7.501 1.00 0.00 H new ATOM 0 HE ARG C 379 19.762 7.595 8.006 1.00 0.00 H new ATOM 0 HH11 ARG C 379 18.612 10.518 6.438 1.00 0.00 H new ATOM 0 HH12 ARG C 379 20.078 11.438 6.791 1.00 0.00 H new ATOM 0 HH21 ARG C 379 21.641 8.788 8.451 1.00 0.00 H new ATOM 0 HH22 ARG C 379 21.777 10.468 7.920 1.00 0.00 H new ATOM 784 N MET C 380 20.908 6.052 2.521 1.00 0.00 N ATOM 785 CA MET C 380 22.172 6.516 1.964 1.00 0.00 C ATOM 786 C MET C 380 22.006 6.942 0.506 1.00 0.00 C ATOM 787 O MET C 380 21.373 6.246 -0.292 1.00 0.00 O ATOM 788 CB MET C 380 23.207 5.392 2.056 1.00 0.00 C ATOM 789 CG MET C 380 23.680 5.238 3.507 1.00 0.00 C ATOM 790 SD MET C 380 24.683 6.672 3.987 1.00 0.00 S ATOM 791 CE MET C 380 26.268 6.087 3.329 1.00 0.00 C ATOM 0 H MET C 380 20.630 5.120 2.213 1.00 0.00 H new ATOM 0 HA MET C 380 22.507 7.381 2.536 1.00 0.00 H new ATOM 0 HB2 MET C 380 22.773 4.456 1.704 1.00 0.00 H new ATOM 0 HB3 MET C 380 24.056 5.613 1.409 1.00 0.00 H new ATOM 0 HG2 MET C 380 22.820 5.146 4.171 1.00 0.00 H new ATOM 0 HG3 MET C 380 24.264 4.324 3.613 1.00 0.00 H new ATOM 0 HE1 MET C 380 27.053 6.800 3.583 1.00 0.00 H new ATOM 0 HE2 MET C 380 26.506 5.116 3.763 1.00 0.00 H new ATOM 0 HE3 MET C 380 26.200 5.994 2.245 1.00 0.00 H new ATOM 801 N SER C 381 22.595 8.087 0.174 1.00 0.00 N ATOM 802 CA SER C 381 22.537 8.604 -1.187 1.00 0.00 C ATOM 803 C SER C 381 23.381 7.733 -2.110 1.00 0.00 C ATOM 804 O SER C 381 24.494 7.343 -1.762 1.00 0.00 O ATOM 805 CB SER C 381 23.050 10.043 -1.227 1.00 0.00 C ATOM 806 OG SER C 381 22.216 10.865 -0.421 1.00 0.00 O ATOM 0 H SER C 381 23.116 8.672 0.827 1.00 0.00 H new ATOM 0 HA SER C 381 21.501 8.587 -1.524 1.00 0.00 H new ATOM 0 HB2 SER C 381 24.078 10.084 -0.866 1.00 0.00 H new ATOM 0 HB3 SER C 381 23.058 10.410 -2.254 1.00 0.00 H new ATOM 0 HG SER C 381 22.545 11.788 -0.445 1.00 0.00 H new ATOM 812 N LEU C 382 22.837 7.423 -3.288 1.00 0.00 N ATOM 813 CA LEU C 382 23.535 6.587 -4.266 1.00 0.00 C ATOM 814 C LEU C 382 24.117 7.462 -5.374 1.00 0.00 C ATOM 815 O LEU C 382 24.352 6.999 -6.490 1.00 0.00 O ATOM 816 CB LEU C 382 22.553 5.555 -4.869 1.00 0.00 C ATOM 817 CG LEU C 382 21.126 6.155 -4.949 1.00 0.00 C ATOM 818 CD1 LEU C 382 20.388 5.588 -6.170 1.00 0.00 C ATOM 819 CD2 LEU C 382 20.328 5.807 -3.678 1.00 0.00 C ATOM 0 H LEU C 382 21.915 7.739 -3.588 1.00 0.00 H new ATOM 0 HA LEU C 382 24.347 6.057 -3.769 1.00 0.00 H new ATOM 0 HB2 LEU C 382 22.888 5.262 -5.864 1.00 0.00 H new ATOM 0 HB3 LEU C 382 22.542 4.653 -4.258 1.00 0.00 H new ATOM 0 HG LEU C 382 21.212 7.238 -5.039 1.00 0.00 H new ATOM 0 HD11 LEU C 382 19.386 6.014 -6.220 1.00 0.00 H new ATOM 0 HD12 LEU C 382 20.936 5.843 -7.077 1.00 0.00 H new ATOM 0 HD13 LEU C 382 20.317 4.504 -6.081 1.00 0.00 H new ATOM 0 HD21 LEU C 382 19.328 6.235 -3.748 1.00 0.00 H new ATOM 0 HD22 LEU C 382 20.254 4.724 -3.580 1.00 0.00 H new ATOM 0 HD23 LEU C 382 20.837 6.216 -2.805 1.00 0.00 H new ATOM 831 N ASN C 383 24.341 8.733 -5.062 1.00 0.00 N ATOM 832 CA ASN C 383 24.888 9.658 -6.047 1.00 0.00 C ATOM 833 C ASN C 383 26.398 9.509 -6.131 1.00 0.00 C ATOM 834 O ASN C 383 27.123 9.894 -5.214 1.00 0.00 O ATOM 835 CB ASN C 383 24.537 11.095 -5.666 1.00 0.00 C ATOM 836 CG ASN C 383 25.008 12.050 -6.755 1.00 0.00 C ATOM 837 OD1 ASN C 383 25.398 11.614 -7.839 1.00 0.00 O ATOM 838 ND2 ASN C 383 24.997 13.336 -6.533 1.00 0.00 N ATOM 0 H ASN C 383 24.155 9.143 -4.147 1.00 0.00 H new ATOM 0 HA ASN C 383 24.454 9.425 -7.019 1.00 0.00 H new ATOM 0 HB2 ASN C 383 23.460 11.191 -5.527 1.00 0.00 H new ATOM 0 HB3 ASN C 383 25.005 11.353 -4.716 1.00 0.00 H new ATOM 0 HD21 ASN C 383 25.312 13.981 -7.258 1.00 0.00 H new ATOM 0 HD22 ASN C 383 24.674 13.696 -5.635 1.00 0.00 H new ATOM 845 N ILE C 384 26.868 8.945 -7.238 1.00 0.00 N ATOM 846 CA ILE C 384 28.299 8.746 -7.430 1.00 0.00 C ATOM 847 C ILE C 384 29.010 10.089 -7.570 1.00 0.00 C ATOM 848 O ILE C 384 28.440 10.978 -8.180 1.00 0.00 O ATOM 849 CB ILE C 384 28.544 7.891 -8.676 1.00 0.00 C ATOM 850 CG1 ILE C 384 30.037 7.523 -8.771 1.00 0.00 C ATOM 851 CG2 ILE C 384 28.130 8.677 -9.926 1.00 0.00 C ATOM 852 CD1 ILE C 384 30.453 6.608 -7.605 1.00 0.00 C ATOM 0 H ILE C 384 26.285 8.620 -8.009 1.00 0.00 H new ATOM 0 HA ILE C 384 28.700 8.230 -6.558 1.00 0.00 H new ATOM 0 HB ILE C 384 27.953 6.978 -8.607 1.00 0.00 H new ATOM 0 HG12 ILE C 384 30.232 7.022 -9.719 1.00 0.00 H new ATOM 0 HG13 ILE C 384 30.641 8.430 -8.760 1.00 0.00 H new ATOM 0 HG21 ILE C 384 28.305 8.068 -10.813 1.00 0.00 H new ATOM 0 HG22 ILE C 384 27.072 8.931 -9.862 1.00 0.00 H new ATOM 0 HG23 ILE C 384 28.719 9.592 -9.992 1.00 0.00 H new ATOM 0 HD11 ILE C 384 31.511 6.362 -7.695 1.00 0.00 H new ATOM 0 HD12 ILE C 384 30.279 7.121 -6.659 1.00 0.00 H new ATOM 0 HD13 ILE C 384 29.864 5.691 -7.634 1.00 0.00 H new TER 864 ILE C 384 HETATM 865 ZN ZN C 900 7.232 -1.573 -7.642 1.00 0.00 ZN HETATM 866 ZN ZN C 901 19.111 0.293 0.698 1.00 0.00 ZN