USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=9 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 Set 1.1: C 348 MET CE :methyl -163:sc=-0.00888 (180deg=-0.353) USER MOD Set 1.2: C 361 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-2.4) USER MOD Single : C 330 THR OG1 : rot 180:sc= 0.0147 USER MOD Single : C 337 ASN : amide:sc= -0.195 X(o=-0.2,f=-0.2) USER MOD Single : C 338 ASN : amide:sc= -1.26 K(o=-1.3,f=-3.7!) USER MOD Single : C 347 SER OG : rot -170:sc= 0.436 USER MOD Single : C 349 GLN : amide:sc= -1.66 K(o=-1.7,f=-4.2!) USER MOD Single : C 353 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 358 HIS : no HD1:sc= -0.0965 K(o=-0.096,f=-0.77) USER MOD Single : C 362 ASN : amide:sc= 0 X(o=0,f=-0.098) 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=-0.27) USER MOD Single : C 373 THR OG1 : rot -103:sc= -0.539! USER MOD Single : C 374 SER OG : rot -47:sc= 0.148 USER MOD Single : C 377 THR OG1 : rot 180:sc= 0 USER MOD Single : C 380 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 381 SER OG : rot 39:sc= 0.163 USER MOD Single : C 383 ASN : amide:sc= -0.0396 K(o=-0.04,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA C 327 16.007 0.869 -16.683 1.00 0.00 N ATOM 2 CA ALA C 327 17.117 0.016 -17.187 1.00 0.00 C ATOM 3 C ALA C 327 17.250 -1.215 -16.296 1.00 0.00 C ATOM 4 O ALA C 327 17.814 -1.142 -15.205 1.00 0.00 O ATOM 5 CB ALA C 327 18.424 0.811 -17.167 1.00 0.00 C ATOM 0 HA ALA C 327 16.904 -0.296 -18.209 1.00 0.00 H new ATOM 0 HB1 ALA C 327 19.236 0.185 -17.536 1.00 0.00 H new ATOM 0 HB2 ALA C 327 18.325 1.690 -17.804 1.00 0.00 H new ATOM 0 HB3 ALA C 327 18.643 1.125 -16.147 1.00 0.00 H new ATOM 11 N VAL C 328 16.728 -2.345 -16.770 1.00 0.00 N ATOM 12 CA VAL C 328 16.793 -3.597 -16.011 1.00 0.00 C ATOM 13 C VAL C 328 17.810 -4.543 -16.637 1.00 0.00 C ATOM 14 O VAL C 328 17.592 -5.075 -17.726 1.00 0.00 O ATOM 15 CB VAL C 328 15.417 -4.267 -15.991 1.00 0.00 C ATOM 16 CG1 VAL C 328 15.518 -5.627 -15.288 1.00 0.00 C ATOM 17 CG2 VAL C 328 14.426 -3.367 -15.241 1.00 0.00 C ATOM 0 H VAL C 328 16.257 -2.422 -17.672 1.00 0.00 H new ATOM 0 HA VAL C 328 17.100 -3.369 -14.990 1.00 0.00 H new ATOM 0 HB VAL C 328 15.068 -4.418 -17.013 1.00 0.00 H new ATOM 0 HG11 VAL C 328 14.538 -6.103 -15.274 1.00 0.00 H new ATOM 0 HG12 VAL C 328 16.223 -6.262 -15.824 1.00 0.00 H new ATOM 0 HG13 VAL C 328 15.866 -5.483 -14.265 1.00 0.00 H new ATOM 0 HG21 VAL C 328 13.445 -3.841 -15.225 1.00 0.00 H new ATOM 0 HG22 VAL C 328 14.773 -3.216 -14.219 1.00 0.00 H new ATOM 0 HG23 VAL C 328 14.355 -2.404 -15.746 1.00 0.00 H new ATOM 27 N ALA C 329 18.921 -4.754 -15.935 1.00 0.00 N ATOM 28 CA ALA C 329 19.969 -5.647 -16.421 1.00 0.00 C ATOM 29 C ALA C 329 19.776 -7.041 -15.846 1.00 0.00 C ATOM 30 O ALA C 329 20.352 -8.010 -16.337 1.00 0.00 O ATOM 31 CB ALA C 329 21.343 -5.113 -16.007 1.00 0.00 C ATOM 0 H ALA C 329 19.118 -4.321 -15.033 1.00 0.00 H new ATOM 0 HA ALA C 329 19.911 -5.695 -17.508 1.00 0.00 H new ATOM 0 HB1 ALA C 329 22.120 -5.784 -16.373 1.00 0.00 H new ATOM 0 HB2 ALA C 329 21.491 -4.121 -16.433 1.00 0.00 H new ATOM 0 HB3 ALA C 329 21.398 -5.053 -14.920 1.00 0.00 H new ATOM 37 N THR C 330 18.966 -7.138 -14.796 1.00 0.00 N ATOM 38 CA THR C 330 18.712 -8.428 -14.159 1.00 0.00 C ATOM 39 C THR C 330 17.576 -9.172 -14.872 1.00 0.00 C ATOM 40 O THR C 330 16.629 -8.548 -15.349 1.00 0.00 O ATOM 41 CB THR C 330 18.344 -8.229 -12.688 1.00 0.00 C ATOM 42 OG1 THR C 330 17.329 -7.242 -12.579 1.00 0.00 O ATOM 43 CG2 THR C 330 19.581 -7.784 -11.909 1.00 0.00 C ATOM 0 H THR C 330 18.479 -6.349 -14.371 1.00 0.00 H new ATOM 0 HA THR C 330 19.622 -9.023 -14.228 1.00 0.00 H new ATOM 0 HB THR C 330 17.976 -9.169 -12.276 1.00 0.00 H new ATOM 0 HG1 THR C 330 17.094 -7.118 -11.636 1.00 0.00 H new ATOM 0 HG21 THR C 330 19.319 -7.642 -10.860 1.00 0.00 H new ATOM 0 HG22 THR C 330 20.356 -8.547 -11.990 1.00 0.00 H new ATOM 0 HG23 THR C 330 19.952 -6.845 -12.321 1.00 0.00 H new ATOM 51 N PRO C 331 17.640 -10.486 -14.942 1.00 0.00 N ATOM 52 CA PRO C 331 16.579 -11.308 -15.603 1.00 0.00 C ATOM 53 C PRO C 331 15.300 -11.386 -14.771 1.00 0.00 C ATOM 54 O PRO C 331 15.329 -11.219 -13.550 1.00 0.00 O ATOM 55 CB PRO C 331 17.235 -12.690 -15.734 1.00 0.00 C ATOM 56 CG PRO C 331 18.168 -12.761 -14.572 1.00 0.00 C ATOM 57 CD PRO C 331 18.720 -11.343 -14.403 1.00 0.00 C ATOM 0 HA PRO C 331 16.263 -10.883 -16.556 1.00 0.00 H new ATOM 0 HB2 PRO C 331 16.494 -13.488 -15.699 1.00 0.00 H new ATOM 0 HB3 PRO C 331 17.768 -12.791 -16.680 1.00 0.00 H new ATOM 0 HG2 PRO C 331 17.649 -13.090 -13.672 1.00 0.00 H new ATOM 0 HG3 PRO C 331 18.971 -13.475 -14.756 1.00 0.00 H new ATOM 0 HD2 PRO C 331 18.929 -11.116 -13.358 1.00 0.00 H new ATOM 0 HD3 PRO C 331 19.652 -11.207 -14.952 1.00 0.00 H new ATOM 65 N GLU C 332 14.186 -11.660 -15.439 1.00 0.00 N ATOM 66 CA GLU C 332 12.908 -11.779 -14.755 1.00 0.00 C ATOM 67 C GLU C 332 12.984 -12.879 -13.703 1.00 0.00 C ATOM 68 O GLU C 332 12.169 -12.930 -12.781 1.00 0.00 O ATOM 69 CB GLU C 332 11.804 -12.102 -15.761 1.00 0.00 C ATOM 70 CG GLU C 332 12.232 -13.293 -16.620 1.00 0.00 C ATOM 71 CD GLU C 332 11.142 -13.622 -17.633 1.00 0.00 C ATOM 72 OE1 GLU C 332 10.076 -13.040 -17.537 1.00 0.00 O ATOM 73 OE2 GLU C 332 11.395 -14.448 -18.497 1.00 0.00 O ATOM 0 H GLU C 332 14.143 -11.803 -16.448 1.00 0.00 H new ATOM 0 HA GLU C 332 12.679 -10.832 -14.267 1.00 0.00 H new ATOM 0 HB2 GLU C 332 10.876 -12.332 -15.238 1.00 0.00 H new ATOM 0 HB3 GLU C 332 11.608 -11.236 -16.393 1.00 0.00 H new ATOM 0 HG2 GLU C 332 13.163 -13.063 -17.137 1.00 0.00 H new ATOM 0 HG3 GLU C 332 12.425 -14.159 -15.986 1.00 0.00 H new ATOM 80 N GLU C 333 13.973 -13.758 -13.849 1.00 0.00 N ATOM 81 CA GLU C 333 14.157 -14.854 -12.909 1.00 0.00 C ATOM 82 C GLU C 333 14.231 -14.329 -11.482 1.00 0.00 C ATOM 83 O GLU C 333 13.542 -14.823 -10.592 1.00 0.00 O ATOM 84 CB GLU C 333 15.447 -15.610 -13.250 1.00 0.00 C ATOM 85 CG GLU C 333 15.229 -16.453 -14.507 1.00 0.00 C ATOM 86 CD GLU C 333 16.516 -17.184 -14.870 1.00 0.00 C ATOM 87 OE1 GLU C 333 17.463 -17.093 -14.106 1.00 0.00 O ATOM 88 OE2 GLU C 333 16.539 -17.821 -15.910 1.00 0.00 O ATOM 0 H GLU C 333 14.655 -13.731 -14.607 1.00 0.00 H new ATOM 0 HA GLU C 333 13.305 -15.529 -12.986 1.00 0.00 H new ATOM 0 HB2 GLU C 333 16.263 -14.905 -13.410 1.00 0.00 H new ATOM 0 HB3 GLU C 333 15.737 -16.250 -12.416 1.00 0.00 H new ATOM 0 HG2 GLU C 333 14.427 -17.172 -14.339 1.00 0.00 H new ATOM 0 HG3 GLU C 333 14.917 -15.815 -15.334 1.00 0.00 H new ATOM 95 N LEU C 334 15.067 -13.321 -11.272 1.00 0.00 N ATOM 96 CA LEU C 334 15.212 -12.736 -9.948 1.00 0.00 C ATOM 97 C LEU C 334 13.923 -12.058 -9.502 1.00 0.00 C ATOM 98 O LEU C 334 13.505 -12.193 -8.353 1.00 0.00 O ATOM 99 CB LEU C 334 16.358 -11.717 -9.948 1.00 0.00 C ATOM 100 CG LEU C 334 16.436 -10.999 -8.590 1.00 0.00 C ATOM 101 CD1 LEU C 334 16.580 -12.029 -7.459 1.00 0.00 C ATOM 102 CD2 LEU C 334 17.642 -10.052 -8.586 1.00 0.00 C ATOM 0 H LEU C 334 15.649 -12.896 -11.994 1.00 0.00 H new ATOM 0 HA LEU C 334 15.438 -13.540 -9.247 1.00 0.00 H new ATOM 0 HB2 LEU C 334 17.302 -12.221 -10.155 1.00 0.00 H new ATOM 0 HB3 LEU C 334 16.205 -10.988 -10.744 1.00 0.00 H new ATOM 0 HG LEU C 334 15.522 -10.427 -8.431 1.00 0.00 H new ATOM 0 HD11 LEU C 334 16.635 -11.512 -6.501 1.00 0.00 H new ATOM 0 HD12 LEU C 334 15.718 -12.696 -7.463 1.00 0.00 H new ATOM 0 HD13 LEU C 334 17.490 -12.610 -7.610 1.00 0.00 H new ATOM 0 HD21 LEU C 334 17.700 -9.541 -7.625 1.00 0.00 H new ATOM 0 HD22 LEU C 334 18.555 -10.625 -8.749 1.00 0.00 H new ATOM 0 HD23 LEU C 334 17.529 -9.316 -9.382 1.00 0.00 H new ATOM 114 N ALA C 335 13.306 -11.319 -10.413 1.00 0.00 N ATOM 115 CA ALA C 335 12.080 -10.610 -10.088 1.00 0.00 C ATOM 116 C ALA C 335 10.985 -11.589 -9.691 1.00 0.00 C ATOM 117 O ALA C 335 10.313 -11.406 -8.675 1.00 0.00 O ATOM 118 CB ALA C 335 11.630 -9.781 -11.289 1.00 0.00 C ATOM 0 H ALA C 335 13.631 -11.196 -11.372 1.00 0.00 H new ATOM 0 HA ALA C 335 12.272 -9.947 -9.244 1.00 0.00 H new ATOM 0 HB1 ALA C 335 10.710 -9.251 -11.041 1.00 0.00 H new ATOM 0 HB2 ALA C 335 12.407 -9.060 -11.545 1.00 0.00 H new ATOM 0 HB3 ALA C 335 11.451 -10.439 -12.139 1.00 0.00 H new ATOM 124 N VAL C 336 10.820 -12.634 -10.489 1.00 0.00 N ATOM 125 CA VAL C 336 9.805 -13.637 -10.209 1.00 0.00 C ATOM 126 C VAL C 336 10.104 -14.337 -8.890 1.00 0.00 C ATOM 127 O VAL C 336 9.211 -14.538 -8.065 1.00 0.00 O ATOM 128 CB VAL C 336 9.763 -14.665 -11.346 1.00 0.00 C ATOM 129 CG1 VAL C 336 8.820 -15.812 -10.972 1.00 0.00 C ATOM 130 CG2 VAL C 336 9.261 -13.991 -12.625 1.00 0.00 C ATOM 0 H VAL C 336 11.372 -12.808 -11.329 1.00 0.00 H new ATOM 0 HA VAL C 336 8.836 -13.145 -10.133 1.00 0.00 H new ATOM 0 HB VAL C 336 10.765 -15.061 -11.510 1.00 0.00 H new ATOM 0 HG11 VAL C 336 8.793 -16.540 -11.783 1.00 0.00 H new ATOM 0 HG12 VAL C 336 9.177 -16.295 -10.062 1.00 0.00 H new ATOM 0 HG13 VAL C 336 7.817 -15.419 -10.804 1.00 0.00 H new ATOM 0 HG21 VAL C 336 9.231 -14.721 -13.434 1.00 0.00 H new ATOM 0 HG22 VAL C 336 8.260 -13.593 -12.458 1.00 0.00 H new ATOM 0 HG23 VAL C 336 9.934 -13.177 -12.896 1.00 0.00 H new ATOM 140 N ASN C 337 11.364 -14.704 -8.696 1.00 0.00 N ATOM 141 CA ASN C 337 11.771 -15.381 -7.472 1.00 0.00 C ATOM 142 C ASN C 337 11.873 -14.389 -6.323 1.00 0.00 C ATOM 143 O ASN C 337 11.962 -14.782 -5.159 1.00 0.00 O ATOM 144 CB ASN C 337 13.121 -16.071 -7.677 1.00 0.00 C ATOM 145 CG ASN C 337 13.475 -16.896 -6.442 1.00 0.00 C ATOM 146 OD1 ASN C 337 14.328 -16.493 -5.651 1.00 0.00 O ATOM 147 ND2 ASN C 337 12.869 -18.032 -6.229 1.00 0.00 N ATOM 0 H ASN C 337 12.117 -14.546 -9.365 1.00 0.00 H new ATOM 0 HA ASN C 337 11.018 -16.129 -7.226 1.00 0.00 H new ATOM 0 HB2 ASN C 337 13.081 -16.715 -8.556 1.00 0.00 H new ATOM 0 HB3 ASN C 337 13.895 -15.327 -7.862 1.00 0.00 H new ATOM 0 HD21 ASN C 337 13.102 -18.588 -5.406 1.00 0.00 H new ATOM 0 HD22 ASN C 337 12.163 -18.364 -6.886 1.00 0.00 H new ATOM 154 N ASN C 338 11.869 -13.098 -6.653 1.00 0.00 N ATOM 155 CA ASN C 338 11.968 -12.055 -5.633 1.00 0.00 C ATOM 156 C ASN C 338 11.157 -10.828 -6.040 1.00 0.00 C ATOM 157 O ASN C 338 11.693 -9.724 -6.146 1.00 0.00 O ATOM 158 CB ASN C 338 13.434 -11.659 -5.444 1.00 0.00 C ATOM 159 CG ASN C 338 13.602 -10.872 -4.148 1.00 0.00 C ATOM 160 OD1 ASN C 338 12.628 -10.349 -3.609 1.00 0.00 O ATOM 161 ND2 ASN C 338 14.786 -10.758 -3.613 1.00 0.00 N ATOM 0 H ASN C 338 11.799 -12.751 -7.610 1.00 0.00 H new ATOM 0 HA ASN C 338 11.568 -12.444 -4.697 1.00 0.00 H new ATOM 0 HB2 ASN C 338 14.060 -12.551 -5.420 1.00 0.00 H new ATOM 0 HB3 ASN C 338 13.768 -11.058 -6.290 1.00 0.00 H new ATOM 0 HD21 ASN C 338 14.906 -10.234 -2.746 1.00 0.00 H new ATOM 0 HD22 ASN C 338 15.592 -11.193 -4.062 1.00 0.00 H new ATOM 168 N ASP C 339 9.863 -11.030 -6.262 1.00 0.00 N ATOM 169 CA ASP C 339 8.985 -9.933 -6.650 1.00 0.00 C ATOM 170 C ASP C 339 8.668 -9.067 -5.439 1.00 0.00 C ATOM 171 O ASP C 339 9.550 -8.770 -4.635 1.00 0.00 O ATOM 172 CB ASP C 339 7.690 -10.491 -7.243 1.00 0.00 C ATOM 173 CG ASP C 339 6.907 -11.242 -6.174 1.00 0.00 C ATOM 174 OD1 ASP C 339 7.413 -11.357 -5.069 1.00 0.00 O ATOM 175 OD2 ASP C 339 5.818 -11.700 -6.476 1.00 0.00 O ATOM 0 H ASP C 339 9.402 -11.936 -6.181 1.00 0.00 H new ATOM 0 HA ASP C 339 9.488 -9.323 -7.400 1.00 0.00 H new ATOM 0 HB2 ASP C 339 7.085 -9.678 -7.645 1.00 0.00 H new ATOM 0 HB3 ASP C 339 7.919 -11.159 -8.074 1.00 0.00 H new ATOM 180 N ASP C 340 7.407 -8.665 -5.318 1.00 0.00 N ATOM 181 CA ASP C 340 6.978 -7.829 -4.202 1.00 0.00 C ATOM 182 C ASP C 340 7.782 -6.530 -4.174 1.00 0.00 C ATOM 183 O ASP C 340 9.010 -6.544 -4.246 1.00 0.00 O ATOM 184 CB ASP C 340 7.158 -8.575 -2.879 1.00 0.00 C ATOM 185 CG ASP C 340 6.605 -7.740 -1.729 1.00 0.00 C ATOM 186 OD1 ASP C 340 6.208 -6.613 -1.980 1.00 0.00 O ATOM 187 OD2 ASP C 340 6.589 -8.238 -0.615 1.00 0.00 O ATOM 0 H ASP C 340 6.666 -8.904 -5.977 1.00 0.00 H new ATOM 0 HA ASP C 340 5.922 -7.592 -4.335 1.00 0.00 H new ATOM 0 HB2 ASP C 340 6.645 -9.536 -2.921 1.00 0.00 H new ATOM 0 HB3 ASP C 340 8.214 -8.785 -2.711 1.00 0.00 H new ATOM 192 N CYS C 341 7.080 -5.405 -4.069 1.00 0.00 N ATOM 193 CA CYS C 341 7.738 -4.097 -4.035 1.00 0.00 C ATOM 194 C CYS C 341 7.778 -3.553 -2.611 1.00 0.00 C ATOM 195 O CYS C 341 6.875 -3.797 -1.817 1.00 0.00 O ATOM 196 CB CYS C 341 6.993 -3.110 -4.947 1.00 0.00 C ATOM 197 SG CYS C 341 8.150 -1.856 -5.553 1.00 0.00 S ATOM 0 H CYS C 341 6.063 -5.369 -4.006 1.00 0.00 H new ATOM 0 HA CYS C 341 8.761 -4.216 -4.392 1.00 0.00 H new ATOM 0 HB2 CYS C 341 6.544 -3.642 -5.786 1.00 0.00 H new ATOM 0 HB3 CYS C 341 6.180 -2.635 -4.399 1.00 0.00 H new ATOM 202 N ALA C 342 8.837 -2.822 -2.291 1.00 0.00 N ATOM 203 CA ALA C 342 8.976 -2.246 -0.960 1.00 0.00 C ATOM 204 C ALA C 342 8.370 -0.843 -0.932 1.00 0.00 C ATOM 205 O ALA C 342 7.914 -0.371 0.110 1.00 0.00 O ATOM 206 CB ALA C 342 10.453 -2.181 -0.572 1.00 0.00 C ATOM 0 H ALA C 342 9.606 -2.615 -2.928 1.00 0.00 H new ATOM 0 HA ALA C 342 8.447 -2.876 -0.245 1.00 0.00 H new ATOM 0 HB1 ALA C 342 10.549 -1.749 0.424 1.00 0.00 H new ATOM 0 HB2 ALA C 342 10.874 -3.186 -0.574 1.00 0.00 H new ATOM 0 HB3 ALA C 342 10.991 -1.561 -1.289 1.00 0.00 H new ATOM 212 N ILE C 343 8.385 -0.175 -2.088 1.00 0.00 N ATOM 213 CA ILE C 343 7.847 1.184 -2.197 1.00 0.00 C ATOM 214 C ILE C 343 6.387 1.187 -2.645 1.00 0.00 C ATOM 215 O ILE C 343 5.506 1.645 -1.919 1.00 0.00 O ATOM 216 CB ILE C 343 8.675 1.984 -3.198 1.00 0.00 C ATOM 217 CG1 ILE C 343 10.137 1.986 -2.751 1.00 0.00 C ATOM 218 CG2 ILE C 343 8.155 3.421 -3.243 1.00 0.00 C ATOM 219 CD1 ILE C 343 11.014 2.584 -3.853 1.00 0.00 C ATOM 0 H ILE C 343 8.762 -0.550 -2.958 1.00 0.00 H new ATOM 0 HA ILE C 343 7.899 1.637 -1.207 1.00 0.00 H new ATOM 0 HB ILE C 343 8.596 1.535 -4.188 1.00 0.00 H new ATOM 0 HG12 ILE C 343 10.246 2.564 -1.833 1.00 0.00 H new ATOM 0 HG13 ILE C 343 10.460 0.969 -2.528 1.00 0.00 H new ATOM 0 HG21 ILE C 343 8.743 3.998 -3.957 1.00 0.00 H new ATOM 0 HG22 ILE C 343 7.109 3.420 -3.551 1.00 0.00 H new ATOM 0 HG23 ILE C 343 8.242 3.871 -2.254 1.00 0.00 H new ATOM 0 HD11 ILE C 343 12.055 2.583 -3.530 1.00 0.00 H new ATOM 0 HD12 ILE C 343 10.915 1.988 -4.760 1.00 0.00 H new ATOM 0 HD13 ILE C 343 10.697 3.607 -4.055 1.00 0.00 H new ATOM 231 N CYS C 344 6.143 0.692 -3.857 1.00 0.00 N ATOM 232 CA CYS C 344 4.792 0.657 -4.410 1.00 0.00 C ATOM 233 C CYS C 344 4.014 -0.546 -3.894 1.00 0.00 C ATOM 234 O CYS C 344 2.866 -0.764 -4.283 1.00 0.00 O ATOM 235 CB CYS C 344 4.864 0.604 -5.939 1.00 0.00 C ATOM 236 SG CYS C 344 5.356 -1.059 -6.470 1.00 0.00 S ATOM 0 H CYS C 344 6.861 0.311 -4.473 1.00 0.00 H new ATOM 0 HA CYS C 344 4.271 1.561 -4.093 1.00 0.00 H new ATOM 0 HB2 CYS C 344 3.895 0.861 -6.368 1.00 0.00 H new ATOM 0 HB3 CYS C 344 5.580 1.340 -6.305 1.00 0.00 H new ATOM 241 N TRP C 345 4.639 -1.326 -3.019 1.00 0.00 N ATOM 242 CA TRP C 345 3.984 -2.508 -2.463 1.00 0.00 C ATOM 243 C TRP C 345 3.190 -3.248 -3.537 1.00 0.00 C ATOM 244 O TRP C 345 1.960 -3.254 -3.520 1.00 0.00 O ATOM 245 CB TRP C 345 3.051 -2.094 -1.326 1.00 0.00 C ATOM 246 CG TRP C 345 2.531 -3.318 -0.648 1.00 0.00 C ATOM 247 CD1 TRP C 345 1.307 -3.854 -0.850 1.00 0.00 C ATOM 248 CD2 TRP C 345 3.194 -4.168 0.334 1.00 0.00 C ATOM 249 NE1 TRP C 345 1.174 -4.979 -0.055 1.00 0.00 N ATOM 250 CE2 TRP C 345 2.309 -5.213 0.694 1.00 0.00 C ATOM 251 CE3 TRP C 345 4.461 -4.135 0.944 1.00 0.00 C ATOM 252 CZ2 TRP C 345 2.670 -6.189 1.622 1.00 0.00 C ATOM 253 CZ3 TRP C 345 4.828 -5.115 1.881 1.00 0.00 C ATOM 254 CH2 TRP C 345 3.932 -6.141 2.220 1.00 0.00 C ATOM 0 H TRP C 345 5.588 -1.165 -2.681 1.00 0.00 H new ATOM 0 HA TRP C 345 4.753 -3.179 -2.080 1.00 0.00 H new ATOM 0 HB2 TRP C 345 3.585 -1.467 -0.612 1.00 0.00 H new ATOM 0 HB3 TRP C 345 2.224 -1.500 -1.716 1.00 0.00 H new ATOM 0 HD1 TRP C 345 0.555 -3.467 -1.522 1.00 0.00 H new ATOM 0 HE1 TRP C 345 0.339 -5.564 -0.026 1.00 0.00 H new ATOM 0 HE3 TRP C 345 5.157 -3.350 0.690 1.00 0.00 H new ATOM 0 HZ2 TRP C 345 1.978 -6.978 1.877 1.00 0.00 H new ATOM 0 HZ3 TRP C 345 5.804 -5.079 2.343 1.00 0.00 H new ATOM 0 HH2 TRP C 345 4.218 -6.892 2.942 1.00 0.00 H new ATOM 265 N ASP C 346 3.905 -3.864 -4.470 1.00 0.00 N ATOM 266 CA ASP C 346 3.260 -4.597 -5.551 1.00 0.00 C ATOM 267 C ASP C 346 4.245 -5.561 -6.204 1.00 0.00 C ATOM 268 O ASP C 346 5.374 -5.717 -5.740 1.00 0.00 O ATOM 269 CB ASP C 346 2.728 -3.615 -6.598 1.00 0.00 C ATOM 270 CG ASP C 346 1.777 -4.332 -7.552 1.00 0.00 C ATOM 271 OD1 ASP C 346 1.349 -5.424 -7.220 1.00 0.00 O ATOM 272 OD2 ASP C 346 1.496 -3.779 -8.601 1.00 0.00 O ATOM 0 H ASP C 346 4.925 -3.871 -4.500 1.00 0.00 H new ATOM 0 HA ASP C 346 2.431 -5.171 -5.137 1.00 0.00 H new ATOM 0 HB2 ASP C 346 2.210 -2.792 -6.106 1.00 0.00 H new ATOM 0 HB3 ASP C 346 3.558 -3.181 -7.156 1.00 0.00 H new ATOM 277 N SER C 347 3.814 -6.212 -7.283 1.00 0.00 N ATOM 278 CA SER C 347 4.667 -7.163 -7.997 1.00 0.00 C ATOM 279 C SER C 347 4.524 -6.977 -9.504 1.00 0.00 C ATOM 280 O SER C 347 3.414 -7.001 -10.037 1.00 0.00 O ATOM 281 CB SER C 347 4.277 -8.589 -7.621 1.00 0.00 C ATOM 282 OG SER C 347 4.657 -8.835 -6.274 1.00 0.00 O ATOM 0 H SER C 347 2.882 -6.100 -7.682 1.00 0.00 H new ATOM 0 HA SER C 347 5.704 -6.982 -7.715 1.00 0.00 H new ATOM 0 HB2 SER C 347 3.203 -8.729 -7.740 1.00 0.00 H new ATOM 0 HB3 SER C 347 4.767 -9.301 -8.286 1.00 0.00 H new ATOM 0 HG SER C 347 4.556 -9.789 -6.075 1.00 0.00 H new ATOM 288 N MET C 348 5.652 -6.791 -10.187 1.00 0.00 N ATOM 289 CA MET C 348 5.642 -6.600 -11.638 1.00 0.00 C ATOM 290 C MET C 348 6.897 -7.199 -12.256 1.00 0.00 C ATOM 291 O MET C 348 7.824 -7.592 -11.547 1.00 0.00 O ATOM 292 CB MET C 348 5.569 -5.111 -11.981 1.00 0.00 C ATOM 293 CG MET C 348 4.245 -4.534 -11.472 1.00 0.00 C ATOM 294 SD MET C 348 4.069 -2.820 -12.036 1.00 0.00 S ATOM 295 CE MET C 348 5.266 -2.063 -10.907 1.00 0.00 C ATOM 0 H MET C 348 6.580 -6.768 -9.763 1.00 0.00 H new ATOM 0 HA MET C 348 4.764 -7.103 -12.043 1.00 0.00 H new ATOM 0 HB2 MET C 348 6.407 -4.581 -11.528 1.00 0.00 H new ATOM 0 HB3 MET C 348 5.648 -4.971 -13.059 1.00 0.00 H new ATOM 0 HG2 MET C 348 3.411 -5.134 -11.836 1.00 0.00 H new ATOM 0 HG3 MET C 348 4.214 -4.574 -10.383 1.00 0.00 H new ATOM 0 HE1 MET C 348 5.102 -0.986 -10.872 1.00 0.00 H new ATOM 0 HE2 MET C 348 5.140 -2.482 -9.909 1.00 0.00 H new ATOM 0 HE3 MET C 348 6.277 -2.265 -11.260 1.00 0.00 H new ATOM 305 N GLN C 349 6.921 -7.269 -13.581 1.00 0.00 N ATOM 306 CA GLN C 349 8.068 -7.823 -14.283 1.00 0.00 C ATOM 307 C GLN C 349 9.283 -6.913 -14.144 1.00 0.00 C ATOM 308 O GLN C 349 10.413 -7.387 -14.025 1.00 0.00 O ATOM 309 CB GLN C 349 7.730 -8.003 -15.764 1.00 0.00 C ATOM 310 CG GLN C 349 8.862 -8.747 -16.475 1.00 0.00 C ATOM 311 CD GLN C 349 8.938 -10.186 -15.976 1.00 0.00 C ATOM 312 OE1 GLN C 349 9.539 -10.454 -14.935 1.00 0.00 O ATOM 313 NE2 GLN C 349 8.358 -11.133 -16.659 1.00 0.00 N ATOM 0 H GLN C 349 6.164 -6.951 -14.186 1.00 0.00 H new ATOM 0 HA GLN C 349 8.307 -8.790 -13.840 1.00 0.00 H new ATOM 0 HB2 GLN C 349 6.798 -8.559 -15.867 1.00 0.00 H new ATOM 0 HB3 GLN C 349 7.575 -7.030 -16.230 1.00 0.00 H new ATOM 0 HG2 GLN C 349 8.695 -8.736 -17.552 1.00 0.00 H new ATOM 0 HG3 GLN C 349 9.810 -8.241 -16.294 1.00 0.00 H new ATOM 0 HE21 GLN C 349 7.861 -10.909 -17.521 1.00 0.00 H new ATOM 0 HE22 GLN C 349 8.401 -12.098 -16.331 1.00 0.00 H new ATOM 322 N ALA C 350 9.049 -5.605 -14.173 1.00 0.00 N ATOM 323 CA ALA C 350 10.142 -4.649 -14.064 1.00 0.00 C ATOM 324 C ALA C 350 10.821 -4.764 -12.706 1.00 0.00 C ATOM 325 O ALA C 350 10.177 -4.623 -11.666 1.00 0.00 O ATOM 326 CB ALA C 350 9.610 -3.230 -14.250 1.00 0.00 C ATOM 0 H ALA C 350 8.123 -5.188 -14.270 1.00 0.00 H new ATOM 0 HA ALA C 350 10.873 -4.870 -14.842 1.00 0.00 H new ATOM 0 HB1 ALA C 350 10.432 -2.519 -14.167 1.00 0.00 H new ATOM 0 HB2 ALA C 350 9.150 -3.140 -15.234 1.00 0.00 H new ATOM 0 HB3 ALA C 350 8.867 -3.016 -13.481 1.00 0.00 H new ATOM 332 N ALA C 351 12.125 -5.019 -12.724 1.00 0.00 N ATOM 333 CA ALA C 351 12.898 -5.154 -11.493 1.00 0.00 C ATOM 334 C ALA C 351 14.259 -4.488 -11.643 1.00 0.00 C ATOM 335 O ALA C 351 14.948 -4.682 -12.638 1.00 0.00 O ATOM 336 CB ALA C 351 13.082 -6.629 -11.157 1.00 0.00 C ATOM 0 H ALA C 351 12.670 -5.137 -13.578 1.00 0.00 H new ATOM 0 HA ALA C 351 12.355 -4.663 -10.685 1.00 0.00 H new ATOM 0 HB1 ALA C 351 13.660 -6.723 -10.237 1.00 0.00 H new ATOM 0 HB2 ALA C 351 12.106 -7.096 -11.022 1.00 0.00 H new ATOM 0 HB3 ALA C 351 13.612 -7.124 -11.971 1.00 0.00 H new ATOM 342 N ARG C 352 14.638 -3.694 -10.647 1.00 0.00 N ATOM 343 CA ARG C 352 15.914 -2.992 -10.669 1.00 0.00 C ATOM 344 C ARG C 352 16.614 -3.140 -9.324 1.00 0.00 C ATOM 345 O ARG C 352 15.966 -3.134 -8.284 1.00 0.00 O ATOM 346 CB ARG C 352 15.664 -1.498 -10.980 1.00 0.00 C ATOM 347 CG ARG C 352 16.524 -1.030 -12.146 1.00 0.00 C ATOM 348 CD ARG C 352 17.974 -0.963 -11.695 1.00 0.00 C ATOM 349 NE ARG C 352 18.815 -0.469 -12.779 1.00 0.00 N ATOM 350 CZ ARG C 352 18.972 0.832 -12.985 1.00 0.00 C ATOM 351 NH1 ARG C 352 18.374 1.689 -12.204 1.00 0.00 N ATOM 352 NH2 ARG C 352 19.721 1.253 -13.967 1.00 0.00 N ATOM 0 H ARG C 352 14.077 -3.521 -9.813 1.00 0.00 H new ATOM 0 HA ARG C 352 16.554 -3.420 -11.440 1.00 0.00 H new ATOM 0 HB2 ARG C 352 14.611 -1.344 -11.216 1.00 0.00 H new ATOM 0 HB3 ARG C 352 15.885 -0.898 -10.097 1.00 0.00 H new ATOM 0 HG2 ARG C 352 16.423 -1.715 -12.988 1.00 0.00 H new ATOM 0 HG3 ARG C 352 16.191 -0.051 -12.490 1.00 0.00 H new ATOM 0 HD2 ARG C 352 18.063 -0.308 -10.828 1.00 0.00 H new ATOM 0 HD3 ARG C 352 18.312 -1.951 -11.384 1.00 0.00 H new ATOM 0 HE ARG C 352 19.290 -1.135 -13.389 1.00 0.00 H new ATOM 0 HH11 ARG C 352 17.788 1.358 -11.438 1.00 0.00 H new ATOM 0 HH12 ARG C 352 18.493 2.690 -12.360 1.00 0.00 H new ATOM 0 HH21 ARG C 352 20.187 0.581 -14.577 1.00 0.00 H new ATOM 0 HH22 ARG C 352 19.841 2.254 -14.124 1.00 0.00 H new ATOM 366 N LYS C 353 17.935 -3.262 -9.357 1.00 0.00 N ATOM 367 CA LYS C 353 18.724 -3.404 -8.138 1.00 0.00 C ATOM 368 C LYS C 353 19.522 -2.136 -7.871 1.00 0.00 C ATOM 369 O LYS C 353 20.232 -1.640 -8.746 1.00 0.00 O ATOM 370 CB LYS C 353 19.682 -4.581 -8.292 1.00 0.00 C ATOM 371 CG LYS C 353 20.497 -4.749 -7.011 1.00 0.00 C ATOM 372 CD LYS C 353 21.378 -5.990 -7.128 1.00 0.00 C ATOM 373 CE LYS C 353 22.178 -6.165 -5.837 1.00 0.00 C ATOM 374 NZ LYS C 353 23.035 -7.377 -5.945 1.00 0.00 N ATOM 0 H LYS C 353 18.484 -3.266 -10.216 1.00 0.00 H new ATOM 0 HA LYS C 353 18.050 -3.579 -7.299 1.00 0.00 H new ATOM 0 HB2 LYS C 353 19.123 -5.493 -8.502 1.00 0.00 H new ATOM 0 HB3 LYS C 353 20.347 -4.413 -9.139 1.00 0.00 H new ATOM 0 HG2 LYS C 353 21.114 -3.867 -6.841 1.00 0.00 H new ATOM 0 HG3 LYS C 353 19.831 -4.842 -6.153 1.00 0.00 H new ATOM 0 HD2 LYS C 353 20.763 -6.871 -7.310 1.00 0.00 H new ATOM 0 HD3 LYS C 353 22.054 -5.892 -7.978 1.00 0.00 H new ATOM 0 HE2 LYS C 353 22.795 -5.285 -5.657 1.00 0.00 H new ATOM 0 HE3 LYS C 353 21.502 -6.259 -4.987 1.00 0.00 H new ATOM 0 HZ1 LYS C 353 23.579 -7.497 -5.067 1.00 0.00 H new ATOM 0 HZ2 LYS C 353 22.436 -8.213 -6.097 1.00 0.00 H new ATOM 0 HZ3 LYS C 353 23.689 -7.269 -6.746 1.00 0.00 H new ATOM 388 N LEU C 354 19.395 -1.615 -6.655 1.00 0.00 N ATOM 389 CA LEU C 354 20.104 -0.391 -6.278 1.00 0.00 C ATOM 390 C LEU C 354 21.528 -0.716 -5.842 1.00 0.00 C ATOM 391 O LEU C 354 21.825 -1.843 -5.441 1.00 0.00 O ATOM 392 CB LEU C 354 19.354 0.323 -5.123 1.00 0.00 C ATOM 393 CG LEU C 354 18.311 1.300 -5.684 1.00 0.00 C ATOM 394 CD1 LEU C 354 17.138 0.503 -6.233 1.00 0.00 C ATOM 395 CD2 LEU C 354 17.819 2.214 -4.560 1.00 0.00 C ATOM 0 H LEU C 354 18.814 -2.014 -5.918 1.00 0.00 H new ATOM 0 HA LEU C 354 20.142 0.269 -7.144 1.00 0.00 H new ATOM 0 HB2 LEU C 354 18.865 -0.415 -4.488 1.00 0.00 H new ATOM 0 HB3 LEU C 354 20.066 0.861 -4.497 1.00 0.00 H new ATOM 0 HG LEU C 354 18.754 1.903 -6.476 1.00 0.00 H new ATOM 0 HD11 LEU C 354 16.390 1.186 -6.635 1.00 0.00 H new ATOM 0 HD12 LEU C 354 17.487 -0.159 -7.025 1.00 0.00 H new ATOM 0 HD13 LEU C 354 16.695 -0.090 -5.433 1.00 0.00 H new ATOM 0 HD21 LEU C 354 17.078 2.909 -4.954 1.00 0.00 H new ATOM 0 HD22 LEU C 354 17.368 1.611 -3.772 1.00 0.00 H new ATOM 0 HD23 LEU C 354 18.660 2.774 -4.151 1.00 0.00 H new ATOM 407 N PRO C 355 22.406 0.254 -5.901 1.00 0.00 N ATOM 408 CA PRO C 355 23.828 0.079 -5.488 1.00 0.00 C ATOM 409 C PRO C 355 23.946 -0.299 -4.005 1.00 0.00 C ATOM 410 O PRO C 355 24.942 -0.883 -3.580 1.00 0.00 O ATOM 411 CB PRO C 355 24.461 1.461 -5.774 1.00 0.00 C ATOM 412 CG PRO C 355 23.308 2.413 -5.794 1.00 0.00 C ATOM 413 CD PRO C 355 22.148 1.628 -6.375 1.00 0.00 C ATOM 0 HA PRO C 355 24.324 -0.731 -6.022 1.00 0.00 H new ATOM 0 HB2 PRO C 355 25.184 1.732 -5.005 1.00 0.00 H new ATOM 0 HB3 PRO C 355 24.992 1.463 -6.726 1.00 0.00 H new ATOM 0 HG2 PRO C 355 23.077 2.771 -4.791 1.00 0.00 H new ATOM 0 HG3 PRO C 355 23.533 3.290 -6.402 1.00 0.00 H new ATOM 0 HD2 PRO C 355 21.188 2.004 -6.020 1.00 0.00 H new ATOM 0 HD3 PRO C 355 22.129 1.682 -7.463 1.00 0.00 H new ATOM 421 N CYS C 356 22.920 0.039 -3.230 1.00 0.00 N ATOM 422 CA CYS C 356 22.920 -0.269 -1.802 1.00 0.00 C ATOM 423 C CYS C 356 22.695 -1.766 -1.572 1.00 0.00 C ATOM 424 O CYS C 356 23.555 -2.454 -1.020 1.00 0.00 O ATOM 425 CB CYS C 356 21.830 0.552 -1.100 1.00 0.00 C ATOM 426 SG CYS C 356 21.462 -0.153 0.526 1.00 0.00 S ATOM 0 H CYS C 356 22.085 0.522 -3.562 1.00 0.00 H new ATOM 0 HA CYS C 356 23.891 -0.006 -1.383 1.00 0.00 H new ATOM 0 HB2 CYS C 356 22.158 1.586 -0.990 1.00 0.00 H new ATOM 0 HB3 CYS C 356 20.927 0.567 -1.710 1.00 0.00 H new ATOM 431 N GLY C 357 21.532 -2.260 -1.991 1.00 0.00 N ATOM 432 CA GLY C 357 21.194 -3.676 -1.820 1.00 0.00 C ATOM 433 C GLY C 357 19.686 -3.849 -1.698 1.00 0.00 C ATOM 434 O GLY C 357 19.195 -4.466 -0.751 1.00 0.00 O ATOM 0 H GLY C 357 20.809 -1.706 -2.450 1.00 0.00 H new ATOM 0 HA2 GLY C 357 21.565 -4.250 -2.669 1.00 0.00 H new ATOM 0 HA3 GLY C 357 21.685 -4.069 -0.930 1.00 0.00 H new ATOM 438 N HIS C 358 18.953 -3.335 -2.684 1.00 0.00 N ATOM 439 CA HIS C 358 17.496 -3.446 -2.690 1.00 0.00 C ATOM 440 C HIS C 358 16.980 -3.607 -4.116 1.00 0.00 C ATOM 441 O HIS C 358 17.565 -3.072 -5.057 1.00 0.00 O ATOM 442 CB HIS C 358 16.889 -2.188 -2.057 1.00 0.00 C ATOM 443 CG HIS C 358 17.008 -2.269 -0.556 1.00 0.00 C ATOM 444 ND1 HIS C 358 18.096 -1.756 0.151 1.00 0.00 N ATOM 445 CD2 HIS C 358 16.184 -2.834 0.384 1.00 0.00 C ATOM 446 CE1 HIS C 358 17.891 -2.035 1.450 1.00 0.00 C ATOM 447 NE2 HIS C 358 16.743 -2.685 1.648 1.00 0.00 N ATOM 0 H HIS C 358 19.342 -2.839 -3.486 1.00 0.00 H new ATOM 0 HA HIS C 358 17.204 -4.324 -2.114 1.00 0.00 H new ATOM 0 HB2 HIS C 358 17.402 -1.300 -2.425 1.00 0.00 H new ATOM 0 HB3 HIS C 358 15.842 -2.093 -2.344 1.00 0.00 H new ATOM 0 HD2 HIS C 358 15.243 -3.321 0.174 1.00 0.00 H new ATOM 0 HE1 HIS C 358 18.575 -1.765 2.241 1.00 0.00 H new ATOM 0 HE2 HIS C 358 16.358 -3.004 2.537 1.00 0.00 H new ATOM 455 N LEU C 359 15.885 -4.355 -4.275 1.00 0.00 N ATOM 456 CA LEU C 359 15.306 -4.584 -5.604 1.00 0.00 C ATOM 457 C LEU C 359 14.050 -3.742 -5.808 1.00 0.00 C ATOM 458 O LEU C 359 13.030 -3.995 -5.170 1.00 0.00 O ATOM 459 CB LEU C 359 14.918 -6.056 -5.728 1.00 0.00 C ATOM 460 CG LEU C 359 16.131 -6.940 -5.431 1.00 0.00 C ATOM 461 CD1 LEU C 359 15.691 -8.404 -5.397 1.00 0.00 C ATOM 462 CD2 LEU C 359 17.200 -6.750 -6.517 1.00 0.00 C ATOM 0 H LEU C 359 15.385 -4.808 -3.510 1.00 0.00 H new ATOM 0 HA LEU C 359 16.047 -4.306 -6.354 1.00 0.00 H new ATOM 0 HB2 LEU C 359 14.109 -6.288 -5.035 1.00 0.00 H new ATOM 0 HB3 LEU C 359 14.545 -6.260 -6.732 1.00 0.00 H new ATOM 0 HG LEU C 359 16.553 -6.659 -4.466 1.00 0.00 H new ATOM 0 HD11 LEU C 359 16.552 -9.038 -5.186 1.00 0.00 H new ATOM 0 HD12 LEU C 359 14.940 -8.540 -4.619 1.00 0.00 H new ATOM 0 HD13 LEU C 359 15.266 -8.679 -6.363 1.00 0.00 H new ATOM 0 HD21 LEU C 359 18.059 -7.383 -6.297 1.00 0.00 H new ATOM 0 HD22 LEU C 359 16.786 -7.025 -7.487 1.00 0.00 H new ATOM 0 HD23 LEU C 359 17.515 -5.707 -6.539 1.00 0.00 H new ATOM 474 N PHE C 360 14.139 -2.747 -6.698 1.00 0.00 N ATOM 475 CA PHE C 360 13.025 -1.828 -6.989 1.00 0.00 C ATOM 476 C PHE C 360 12.691 -1.873 -8.464 1.00 0.00 C ATOM 477 O PHE C 360 13.560 -2.059 -9.309 1.00 0.00 O ATOM 478 CB PHE C 360 13.469 -0.409 -6.587 1.00 0.00 C ATOM 479 CG PHE C 360 13.589 -0.256 -5.066 1.00 0.00 C ATOM 480 CD1 PHE C 360 13.082 -1.212 -4.152 1.00 0.00 C ATOM 481 CD2 PHE C 360 14.346 0.807 -4.567 1.00 0.00 C ATOM 482 CE1 PHE C 360 13.326 -1.079 -2.786 1.00 0.00 C ATOM 483 CE2 PHE C 360 14.578 0.938 -3.204 1.00 0.00 C ATOM 484 CZ PHE C 360 14.072 -0.002 -2.311 1.00 0.00 C ATOM 0 H PHE C 360 14.983 -2.554 -7.238 1.00 0.00 H new ATOM 0 HA PHE C 360 12.135 -2.117 -6.431 1.00 0.00 H new ATOM 0 HB2 PHE C 360 14.429 -0.184 -7.051 1.00 0.00 H new ATOM 0 HB3 PHE C 360 12.752 0.318 -6.969 1.00 0.00 H new ATOM 0 HD1 PHE C 360 12.503 -2.048 -4.515 1.00 0.00 H new ATOM 0 HD2 PHE C 360 14.756 1.536 -5.250 1.00 0.00 H new ATOM 0 HE1 PHE C 360 12.936 -1.812 -2.095 1.00 0.00 H new ATOM 0 HE2 PHE C 360 15.154 1.774 -2.835 1.00 0.00 H new ATOM 0 HZ PHE C 360 14.257 0.103 -1.252 1.00 0.00 H new ATOM 494 N HIS C 361 11.413 -1.709 -8.749 1.00 0.00 N ATOM 495 CA HIS C 361 10.934 -1.751 -10.116 1.00 0.00 C ATOM 496 C HIS C 361 11.384 -0.513 -10.871 1.00 0.00 C ATOM 497 O HIS C 361 11.777 0.485 -10.270 1.00 0.00 O ATOM 498 CB HIS C 361 9.407 -1.856 -10.135 1.00 0.00 C ATOM 499 CG HIS C 361 8.974 -3.049 -9.324 1.00 0.00 C ATOM 500 ND1 HIS C 361 7.669 -3.205 -8.880 1.00 0.00 N ATOM 501 CD2 HIS C 361 9.653 -4.163 -8.895 1.00 0.00 C ATOM 502 CE1 HIS C 361 7.605 -4.379 -8.222 1.00 0.00 C ATOM 503 NE2 HIS C 361 8.786 -5.001 -8.200 1.00 0.00 N ATOM 0 H HIS C 361 10.688 -1.545 -8.051 1.00 0.00 H new ATOM 0 HA HIS C 361 11.354 -2.629 -10.607 1.00 0.00 H new ATOM 0 HB2 HIS C 361 8.965 -0.947 -9.728 1.00 0.00 H new ATOM 0 HB3 HIS C 361 9.051 -1.952 -11.161 1.00 0.00 H new ATOM 0 HD2 HIS C 361 10.701 -4.359 -9.070 1.00 0.00 H new ATOM 0 HE1 HIS C 361 6.707 -4.770 -7.767 1.00 0.00 H new ATOM 0 HE2 HIS C 361 9.006 -5.898 -7.767 1.00 0.00 H new ATOM 511 N ASN C 362 11.337 -0.588 -12.194 1.00 0.00 N ATOM 512 CA ASN C 362 11.754 0.536 -13.017 1.00 0.00 C ATOM 513 C ASN C 362 10.872 1.757 -12.756 1.00 0.00 C ATOM 514 O ASN C 362 11.373 2.852 -12.506 1.00 0.00 O ATOM 515 CB ASN C 362 11.669 0.149 -14.494 1.00 0.00 C ATOM 516 CG ASN C 362 11.998 1.352 -15.370 1.00 0.00 C ATOM 517 OD1 ASN C 362 12.996 2.034 -15.139 1.00 0.00 O ATOM 518 ND2 ASN C 362 11.214 1.656 -16.369 1.00 0.00 N ATOM 0 H ASN C 362 11.018 -1.405 -12.714 1.00 0.00 H new ATOM 0 HA ASN C 362 12.782 0.790 -12.761 1.00 0.00 H new ATOM 0 HB2 ASN C 362 12.362 -0.665 -14.705 1.00 0.00 H new ATOM 0 HB3 ASN C 362 10.668 -0.216 -14.725 1.00 0.00 H new ATOM 0 HD21 ASN C 362 11.428 2.460 -16.959 1.00 0.00 H new ATOM 0 HD22 ASN C 362 10.387 1.090 -16.559 1.00 0.00 H new ATOM 525 N SER C 363 9.560 1.560 -12.809 1.00 0.00 N ATOM 526 CA SER C 363 8.626 2.652 -12.572 1.00 0.00 C ATOM 527 C SER C 363 8.733 3.154 -11.134 1.00 0.00 C ATOM 528 O SER C 363 8.740 4.362 -10.877 1.00 0.00 O ATOM 529 CB SER C 363 7.199 2.179 -12.851 1.00 0.00 C ATOM 530 OG SER C 363 7.054 1.927 -14.243 1.00 0.00 O ATOM 0 H SER C 363 9.122 0.661 -13.012 1.00 0.00 H new ATOM 0 HA SER C 363 8.876 3.474 -13.243 1.00 0.00 H new ATOM 0 HB2 SER C 363 6.985 1.275 -12.281 1.00 0.00 H new ATOM 0 HB3 SER C 363 6.483 2.935 -12.530 1.00 0.00 H new ATOM 0 HG SER C 363 6.141 1.622 -14.427 1.00 0.00 H new ATOM 536 N CYS C 364 8.827 2.213 -10.201 1.00 0.00 N ATOM 537 CA CYS C 364 8.936 2.558 -8.788 1.00 0.00 C ATOM 538 C CYS C 364 10.262 3.238 -8.508 1.00 0.00 C ATOM 539 O CYS C 364 10.321 4.248 -7.805 1.00 0.00 O ATOM 540 CB CYS C 364 8.823 1.303 -7.928 1.00 0.00 C ATOM 541 SG CYS C 364 7.236 0.503 -8.257 1.00 0.00 S ATOM 0 H CYS C 364 8.830 1.212 -10.395 1.00 0.00 H new ATOM 0 HA CYS C 364 8.124 3.242 -8.541 1.00 0.00 H new ATOM 0 HB2 CYS C 364 9.642 0.619 -8.151 1.00 0.00 H new ATOM 0 HB3 CYS C 364 8.902 1.562 -6.872 1.00 0.00 H new ATOM 546 N LEU C 365 11.330 2.677 -9.055 1.00 0.00 N ATOM 547 CA LEU C 365 12.648 3.242 -8.845 1.00 0.00 C ATOM 548 C LEU C 365 12.772 4.595 -9.524 1.00 0.00 C ATOM 549 O LEU C 365 12.971 5.613 -8.868 1.00 0.00 O ATOM 550 CB LEU C 365 13.726 2.293 -9.405 1.00 0.00 C ATOM 551 CG LEU C 365 15.117 2.942 -9.296 1.00 0.00 C ATOM 552 CD1 LEU C 365 15.399 3.309 -7.832 1.00 0.00 C ATOM 553 CD2 LEU C 365 16.181 1.954 -9.801 1.00 0.00 C ATOM 0 H LEU C 365 11.308 1.842 -9.640 1.00 0.00 H new ATOM 0 HA LEU C 365 12.792 3.371 -7.772 1.00 0.00 H new ATOM 0 HB2 LEU C 365 13.712 1.352 -8.856 1.00 0.00 H new ATOM 0 HB3 LEU C 365 13.508 2.058 -10.447 1.00 0.00 H new ATOM 0 HG LEU C 365 15.148 3.847 -9.903 1.00 0.00 H new ATOM 0 HD11 LEU C 365 16.384 3.769 -7.755 1.00 0.00 H new ATOM 0 HD12 LEU C 365 14.643 4.011 -7.481 1.00 0.00 H new ATOM 0 HD13 LEU C 365 15.370 2.408 -7.219 1.00 0.00 H new ATOM 0 HD21 LEU C 365 17.167 2.411 -9.725 1.00 0.00 H new ATOM 0 HD22 LEU C 365 16.153 1.048 -9.195 1.00 0.00 H new ATOM 0 HD23 LEU C 365 15.978 1.701 -10.842 1.00 0.00 H new ATOM 565 N ARG C 366 12.646 4.597 -10.847 1.00 0.00 N ATOM 566 CA ARG C 366 12.771 5.831 -11.612 1.00 0.00 C ATOM 567 C ARG C 366 12.010 6.950 -10.919 1.00 0.00 C ATOM 568 O ARG C 366 12.541 8.042 -10.714 1.00 0.00 O ATOM 569 CB ARG C 366 12.241 5.618 -13.031 1.00 0.00 C ATOM 570 CG ARG C 366 12.711 6.763 -13.928 1.00 0.00 C ATOM 571 CD ARG C 366 12.261 6.491 -15.368 1.00 0.00 C ATOM 572 NE ARG C 366 10.802 6.516 -15.456 1.00 0.00 N ATOM 573 CZ ARG C 366 10.138 7.653 -15.666 1.00 0.00 C ATOM 574 NH1 ARG C 366 10.790 8.775 -15.798 1.00 0.00 N ATOM 575 NH2 ARG C 366 8.833 7.645 -15.739 1.00 0.00 N ATOM 0 H ARG C 366 12.459 3.765 -11.407 1.00 0.00 H new ATOM 0 HA ARG C 366 13.822 6.113 -11.672 1.00 0.00 H new ATOM 0 HB2 ARG C 366 12.596 4.665 -13.424 1.00 0.00 H new ATOM 0 HB3 ARG C 366 11.152 5.573 -13.021 1.00 0.00 H new ATOM 0 HG2 ARG C 366 12.298 7.709 -13.578 1.00 0.00 H new ATOM 0 HG3 ARG C 366 13.796 6.853 -13.884 1.00 0.00 H new ATOM 0 HD2 ARG C 366 12.685 7.240 -16.037 1.00 0.00 H new ATOM 0 HD3 ARG C 366 12.636 5.522 -15.696 1.00 0.00 H new ATOM 0 HE ARG C 366 10.281 5.645 -15.355 1.00 0.00 H new ATOM 0 HH11 ARG C 366 11.808 8.783 -15.741 1.00 0.00 H new ATOM 0 HH12 ARG C 366 10.281 9.644 -15.959 1.00 0.00 H new ATOM 0 HH21 ARG C 366 8.322 6.768 -15.635 1.00 0.00 H new ATOM 0 HH22 ARG C 366 8.326 8.515 -15.900 1.00 0.00 H new ATOM 589 N SER C 367 10.771 6.669 -10.548 1.00 0.00 N ATOM 590 CA SER C 367 9.959 7.660 -9.863 1.00 0.00 C ATOM 591 C SER C 367 10.654 8.107 -8.579 1.00 0.00 C ATOM 592 O SER C 367 10.670 9.294 -8.252 1.00 0.00 O ATOM 593 CB SER C 367 8.588 7.076 -9.531 1.00 0.00 C ATOM 594 OG SER C 367 7.937 7.911 -8.583 1.00 0.00 O ATOM 0 H SER C 367 10.310 5.773 -10.708 1.00 0.00 H new ATOM 0 HA SER C 367 9.829 8.522 -10.518 1.00 0.00 H new ATOM 0 HB2 SER C 367 7.986 6.996 -10.436 1.00 0.00 H new ATOM 0 HB3 SER C 367 8.697 6.068 -9.130 1.00 0.00 H new ATOM 0 HG SER C 367 7.056 7.539 -8.370 1.00 0.00 H new ATOM 600 N TRP C 368 11.230 7.149 -7.858 1.00 0.00 N ATOM 601 CA TRP C 368 11.926 7.458 -6.611 1.00 0.00 C ATOM 602 C TRP C 368 13.149 8.333 -6.878 1.00 0.00 C ATOM 603 O TRP C 368 13.419 9.287 -6.146 1.00 0.00 O ATOM 604 CB TRP C 368 12.367 6.162 -5.929 1.00 0.00 C ATOM 605 CG TRP C 368 12.868 6.468 -4.554 1.00 0.00 C ATOM 606 CD1 TRP C 368 14.169 6.490 -4.183 1.00 0.00 C ATOM 607 CD2 TRP C 368 12.098 6.792 -3.360 1.00 0.00 C ATOM 608 NE1 TRP C 368 14.246 6.810 -2.840 1.00 0.00 N ATOM 609 CE2 TRP C 368 12.995 7.005 -2.289 1.00 0.00 C ATOM 610 CE3 TRP C 368 10.720 6.922 -3.108 1.00 0.00 C ATOM 611 CZ2 TRP C 368 12.543 7.334 -1.010 1.00 0.00 C ATOM 612 CZ3 TRP C 368 10.261 7.254 -1.822 1.00 0.00 C ATOM 613 CH2 TRP C 368 11.171 7.461 -0.776 1.00 0.00 C ATOM 0 H TRP C 368 11.230 6.161 -8.112 1.00 0.00 H new ATOM 0 HA TRP C 368 11.241 8.001 -5.960 1.00 0.00 H new ATOM 0 HB2 TRP C 368 11.532 5.464 -5.876 1.00 0.00 H new ATOM 0 HB3 TRP C 368 13.150 5.679 -6.514 1.00 0.00 H new ATOM 0 HD1 TRP C 368 15.010 6.290 -4.830 1.00 0.00 H new ATOM 0 HE1 TRP C 368 15.120 6.892 -2.320 1.00 0.00 H new ATOM 0 HE3 TRP C 368 10.011 6.766 -3.907 1.00 0.00 H new ATOM 0 HZ2 TRP C 368 13.248 7.489 -0.207 1.00 0.00 H new ATOM 0 HZ3 TRP C 368 9.201 7.350 -1.638 1.00 0.00 H new ATOM 0 HH2 TRP C 368 10.812 7.718 0.210 1.00 0.00 H new ATOM 624 N LEU C 369 13.882 7.995 -7.932 1.00 0.00 N ATOM 625 CA LEU C 369 15.084 8.748 -8.297 1.00 0.00 C ATOM 626 C LEU C 369 14.711 10.172 -8.684 1.00 0.00 C ATOM 627 O LEU C 369 15.469 11.114 -8.443 1.00 0.00 O ATOM 628 CB LEU C 369 15.819 8.067 -9.463 1.00 0.00 C ATOM 629 CG LEU C 369 16.070 6.582 -9.146 1.00 0.00 C ATOM 630 CD1 LEU C 369 16.766 5.905 -10.333 1.00 0.00 C ATOM 631 CD2 LEU C 369 16.921 6.435 -7.870 1.00 0.00 C ATOM 0 H LEU C 369 13.670 7.210 -8.548 1.00 0.00 H new ATOM 0 HA LEU C 369 15.749 8.772 -7.433 1.00 0.00 H new ATOM 0 HB2 LEU C 369 15.228 8.156 -10.375 1.00 0.00 H new ATOM 0 HB3 LEU C 369 16.768 8.571 -9.647 1.00 0.00 H new ATOM 0 HG LEU C 369 15.110 6.095 -8.973 1.00 0.00 H new ATOM 0 HD11 LEU C 369 16.940 4.854 -10.101 1.00 0.00 H new ATOM 0 HD12 LEU C 369 16.134 5.982 -11.218 1.00 0.00 H new ATOM 0 HD13 LEU C 369 17.719 6.397 -10.525 1.00 0.00 H new ATOM 0 HD21 LEU C 369 17.087 5.378 -7.663 1.00 0.00 H new ATOM 0 HD22 LEU C 369 17.881 6.932 -8.013 1.00 0.00 H new ATOM 0 HD23 LEU C 369 16.398 6.891 -7.029 1.00 0.00 H new ATOM 643 N GLU C 370 13.538 10.322 -9.279 1.00 0.00 N ATOM 644 CA GLU C 370 13.068 11.636 -9.689 1.00 0.00 C ATOM 645 C GLU C 370 12.717 12.485 -8.468 1.00 0.00 C ATOM 646 O GLU C 370 13.031 13.675 -8.418 1.00 0.00 O ATOM 647 CB GLU C 370 11.837 11.497 -10.584 1.00 0.00 C ATOM 648 CG GLU C 370 11.457 12.868 -11.147 1.00 0.00 C ATOM 649 CD GLU C 370 10.235 12.738 -12.049 1.00 0.00 C ATOM 650 OE1 GLU C 370 9.132 12.842 -11.537 1.00 0.00 O ATOM 651 OE2 GLU C 370 10.418 12.540 -13.239 1.00 0.00 O ATOM 0 H GLU C 370 12.898 9.556 -9.488 1.00 0.00 H new ATOM 0 HA GLU C 370 13.866 12.128 -10.244 1.00 0.00 H new ATOM 0 HB2 GLU C 370 12.043 10.802 -11.398 1.00 0.00 H new ATOM 0 HB3 GLU C 370 11.005 11.083 -10.014 1.00 0.00 H new ATOM 0 HG2 GLU C 370 11.246 13.560 -10.332 1.00 0.00 H new ATOM 0 HG3 GLU C 370 12.293 13.284 -11.710 1.00 0.00 H new ATOM 658 N GLN C 371 12.057 11.869 -7.488 1.00 0.00 N ATOM 659 CA GLN C 371 11.663 12.586 -6.274 1.00 0.00 C ATOM 660 C GLN C 371 12.790 12.576 -5.247 1.00 0.00 C ATOM 661 O GLN C 371 13.284 13.628 -4.844 1.00 0.00 O ATOM 662 CB GLN C 371 10.423 11.930 -5.663 1.00 0.00 C ATOM 663 CG GLN C 371 9.968 12.733 -4.441 1.00 0.00 C ATOM 664 CD GLN C 371 8.668 12.159 -3.894 1.00 0.00 C ATOM 665 OE1 GLN C 371 8.522 10.942 -3.788 1.00 0.00 O ATOM 666 NE2 GLN C 371 7.710 12.968 -3.535 1.00 0.00 N ATOM 0 H GLN C 371 11.786 10.886 -7.509 1.00 0.00 H new ATOM 0 HA GLN C 371 11.442 13.618 -6.546 1.00 0.00 H new ATOM 0 HB2 GLN C 371 9.622 11.885 -6.401 1.00 0.00 H new ATOM 0 HB3 GLN C 371 10.647 10.903 -5.373 1.00 0.00 H new ATOM 0 HG2 GLN C 371 10.739 12.707 -3.671 1.00 0.00 H new ATOM 0 HG3 GLN C 371 9.827 13.778 -4.715 1.00 0.00 H new ATOM 0 HE21 GLN C 371 7.834 13.977 -3.624 1.00 0.00 H new ATOM 0 HE22 GLN C 371 6.837 12.592 -3.165 1.00 0.00 H new ATOM 675 N ASP C 372 13.190 11.377 -4.826 1.00 0.00 N ATOM 676 CA ASP C 372 14.263 11.232 -3.843 1.00 0.00 C ATOM 677 C ASP C 372 15.580 10.949 -4.547 1.00 0.00 C ATOM 678 O ASP C 372 15.935 11.647 -5.489 1.00 0.00 O ATOM 679 CB ASP C 372 13.942 10.099 -2.869 1.00 0.00 C ATOM 680 CG ASP C 372 14.934 10.129 -1.710 1.00 0.00 C ATOM 681 OD1 ASP C 372 15.881 10.895 -1.789 1.00 0.00 O ATOM 682 OD2 ASP C 372 14.732 9.389 -0.763 1.00 0.00 O ATOM 0 H ASP C 372 12.790 10.496 -5.148 1.00 0.00 H new ATOM 0 HA ASP C 372 14.350 12.163 -3.283 1.00 0.00 H new ATOM 0 HB2 ASP C 372 12.924 10.205 -2.494 1.00 0.00 H new ATOM 0 HB3 ASP C 372 13.994 9.138 -3.382 1.00 0.00 H new ATOM 687 N THR C 373 16.289 9.917 -4.086 1.00 0.00 N ATOM 688 CA THR C 373 17.574 9.527 -4.679 1.00 0.00 C ATOM 689 C THR C 373 18.387 8.695 -3.691 1.00 0.00 C ATOM 690 O THR C 373 19.364 8.052 -4.065 1.00 0.00 O ATOM 691 CB THR C 373 18.392 10.777 -5.106 1.00 0.00 C ATOM 692 OG1 THR C 373 17.964 11.893 -4.334 1.00 0.00 O ATOM 693 CG2 THR C 373 18.216 11.093 -6.613 1.00 0.00 C ATOM 0 H THR C 373 15.996 9.334 -3.302 1.00 0.00 H new ATOM 0 HA THR C 373 17.364 8.928 -5.565 1.00 0.00 H new ATOM 0 HB THR C 373 19.448 10.571 -4.932 1.00 0.00 H new ATOM 0 HG1 THR C 373 17.377 12.460 -4.876 1.00 0.00 H new ATOM 0 HG21 THR C 373 18.804 11.974 -6.871 1.00 0.00 H new ATOM 0 HG22 THR C 373 18.556 10.243 -7.205 1.00 0.00 H new ATOM 0 HG23 THR C 373 17.164 11.284 -6.824 1.00 0.00 H new ATOM 701 N SER C 374 17.990 8.725 -2.433 1.00 0.00 N ATOM 702 CA SER C 374 18.699 7.980 -1.393 1.00 0.00 C ATOM 703 C SER C 374 18.069 6.620 -1.183 1.00 0.00 C ATOM 704 O SER C 374 17.132 6.249 -1.885 1.00 0.00 O ATOM 705 CB SER C 374 18.681 8.762 -0.083 1.00 0.00 C ATOM 706 OG SER C 374 17.361 8.771 0.440 1.00 0.00 O ATOM 0 H SER C 374 17.184 9.254 -2.100 1.00 0.00 H new ATOM 0 HA SER C 374 19.731 7.841 -1.717 1.00 0.00 H new ATOM 0 HB2 SER C 374 19.365 8.309 0.634 1.00 0.00 H new ATOM 0 HB3 SER C 374 19.025 9.783 -0.251 1.00 0.00 H new ATOM 0 HG SER C 374 16.728 9.001 -0.272 1.00 0.00 H new ATOM 712 N CYS C 375 18.592 5.873 -0.216 1.00 0.00 N ATOM 713 CA CYS C 375 18.065 4.547 0.067 1.00 0.00 C ATOM 714 C CYS C 375 16.806 4.633 0.964 1.00 0.00 C ATOM 715 O CYS C 375 16.900 5.054 2.110 1.00 0.00 O ATOM 716 CB CYS C 375 19.122 3.708 0.768 1.00 0.00 C ATOM 717 SG CYS C 375 18.485 2.031 0.953 1.00 0.00 S ATOM 0 H CYS C 375 19.371 6.160 0.377 1.00 0.00 H new ATOM 0 HA CYS C 375 17.792 4.082 -0.880 1.00 0.00 H new ATOM 0 HB2 CYS C 375 20.046 3.701 0.190 1.00 0.00 H new ATOM 0 HB3 CYS C 375 19.359 4.134 1.743 1.00 0.00 H new ATOM 722 N PRO C 376 15.644 4.245 0.489 1.00 0.00 N ATOM 723 CA PRO C 376 14.382 4.302 1.300 1.00 0.00 C ATOM 724 C PRO C 376 14.520 3.624 2.666 1.00 0.00 C ATOM 725 O PRO C 376 13.806 3.961 3.611 1.00 0.00 O ATOM 726 CB PRO C 376 13.356 3.547 0.434 1.00 0.00 C ATOM 727 CG PRO C 376 13.869 3.648 -0.961 1.00 0.00 C ATOM 728 CD PRO C 376 15.391 3.709 -0.854 1.00 0.00 C ATOM 0 HA PRO C 376 14.101 5.331 1.523 1.00 0.00 H new ATOM 0 HB2 PRO C 376 13.268 2.506 0.746 1.00 0.00 H new ATOM 0 HB3 PRO C 376 12.365 3.991 0.522 1.00 0.00 H new ATOM 0 HG2 PRO C 376 13.555 2.789 -1.554 1.00 0.00 H new ATOM 0 HG3 PRO C 376 13.478 4.537 -1.456 1.00 0.00 H new ATOM 0 HD2 PRO C 376 15.837 2.722 -0.978 1.00 0.00 H new ATOM 0 HD3 PRO C 376 15.818 4.351 -1.625 1.00 0.00 H new ATOM 736 N THR C 377 15.430 2.658 2.756 1.00 0.00 N ATOM 737 CA THR C 377 15.647 1.923 4.004 1.00 0.00 C ATOM 738 C THR C 377 16.900 2.407 4.716 1.00 0.00 C ATOM 739 O THR C 377 16.830 2.938 5.825 1.00 0.00 O ATOM 740 CB THR C 377 15.774 0.428 3.702 1.00 0.00 C ATOM 741 OG1 THR C 377 14.551 -0.044 3.152 1.00 0.00 O ATOM 742 CG2 THR C 377 16.085 -0.333 4.990 1.00 0.00 C ATOM 0 H THR C 377 16.028 2.365 1.984 1.00 0.00 H new ATOM 0 HA THR C 377 14.793 2.099 4.658 1.00 0.00 H new ATOM 0 HB THR C 377 16.582 0.268 2.988 1.00 0.00 H new ATOM 0 HG1 THR C 377 14.628 -1.001 2.955 1.00 0.00 H new ATOM 0 HG21 THR C 377 16.175 -1.397 4.771 1.00 0.00 H new ATOM 0 HG22 THR C 377 17.022 0.031 5.411 1.00 0.00 H new ATOM 0 HG23 THR C 377 15.280 -0.177 5.708 1.00 0.00 H new ATOM 750 N CYS C 378 18.049 2.213 4.083 1.00 0.00 N ATOM 751 CA CYS C 378 19.306 2.628 4.682 1.00 0.00 C ATOM 752 C CYS C 378 19.373 4.148 4.821 1.00 0.00 C ATOM 753 O CYS C 378 20.054 4.667 5.704 1.00 0.00 O ATOM 754 CB CYS C 378 20.483 2.121 3.837 1.00 0.00 C ATOM 755 SG CYS C 378 20.028 0.547 3.080 1.00 0.00 S ATOM 0 H CYS C 378 18.135 1.776 3.165 1.00 0.00 H new ATOM 0 HA CYS C 378 19.368 2.194 5.680 1.00 0.00 H new ATOM 0 HB2 CYS C 378 20.735 2.850 3.067 1.00 0.00 H new ATOM 0 HB3 CYS C 378 21.368 1.997 4.461 1.00 0.00 H new ATOM 760 N ARG C 379 18.669 4.853 3.941 1.00 0.00 N ATOM 761 CA ARG C 379 18.666 6.312 3.978 1.00 0.00 C ATOM 762 C ARG C 379 20.036 6.855 3.596 1.00 0.00 C ATOM 763 O ARG C 379 20.404 7.964 3.977 1.00 0.00 O ATOM 764 CB ARG C 379 18.281 6.801 5.381 1.00 0.00 C ATOM 765 CG ARG C 379 17.693 8.214 5.289 1.00 0.00 C ATOM 766 CD ARG C 379 17.383 8.726 6.691 1.00 0.00 C ATOM 767 NE ARG C 379 18.617 8.924 7.437 1.00 0.00 N ATOM 768 CZ ARG C 379 18.595 9.280 8.715 1.00 0.00 C ATOM 769 NH1 ARG C 379 17.453 9.448 9.323 1.00 0.00 N ATOM 770 NH2 ARG C 379 19.713 9.459 9.363 1.00 0.00 N ATOM 0 H ARG C 379 18.099 4.444 3.201 1.00 0.00 H new ATOM 0 HA ARG C 379 17.932 6.677 3.259 1.00 0.00 H new ATOM 0 HB2 ARG C 379 17.554 6.122 5.827 1.00 0.00 H new ATOM 0 HB3 ARG C 379 19.157 6.802 6.030 1.00 0.00 H new ATOM 0 HG2 ARG C 379 18.398 8.882 4.794 1.00 0.00 H new ATOM 0 HG3 ARG C 379 16.786 8.204 4.685 1.00 0.00 H new ATOM 0 HD2 ARG C 379 16.832 9.664 6.630 1.00 0.00 H new ATOM 0 HD3 ARG C 379 16.744 8.014 7.213 1.00 0.00 H new ATOM 0 HE ARG C 379 19.513 8.787 6.970 1.00 0.00 H new ATOM 0 HH11 ARG C 379 16.579 9.306 8.816 1.00 0.00 H new ATOM 0 HH12 ARG C 379 17.434 9.722 10.305 1.00 0.00 H new ATOM 0 HH21 ARG C 379 20.605 9.325 8.887 1.00 0.00 H new ATOM 0 HH22 ARG C 379 19.695 9.733 10.345 1.00 0.00 H new ATOM 784 N MET C 380 20.791 6.064 2.837 1.00 0.00 N ATOM 785 CA MET C 380 22.123 6.476 2.404 1.00 0.00 C ATOM 786 C MET C 380 22.087 6.975 0.964 1.00 0.00 C ATOM 787 O MET C 380 21.574 6.300 0.068 1.00 0.00 O ATOM 788 CB MET C 380 23.096 5.299 2.513 1.00 0.00 C ATOM 789 CG MET C 380 24.531 5.797 2.300 1.00 0.00 C ATOM 790 SD MET C 380 25.055 6.760 3.741 1.00 0.00 S ATOM 791 CE MET C 380 25.873 5.416 4.635 1.00 0.00 C ATOM 0 H MET C 380 20.505 5.141 2.511 1.00 0.00 H new ATOM 0 HA MET C 380 22.460 7.287 3.050 1.00 0.00 H new ATOM 0 HB2 MET C 380 23.005 4.828 3.492 1.00 0.00 H new ATOM 0 HB3 MET C 380 22.850 4.540 1.770 1.00 0.00 H new ATOM 0 HG2 MET C 380 25.202 4.951 2.150 1.00 0.00 H new ATOM 0 HG3 MET C 380 24.585 6.410 1.400 1.00 0.00 H new ATOM 0 HE1 MET C 380 26.277 5.796 5.573 1.00 0.00 H new ATOM 0 HE2 MET C 380 25.152 4.626 4.844 1.00 0.00 H new ATOM 0 HE3 MET C 380 26.684 5.015 4.027 1.00 0.00 H new ATOM 801 N SER C 381 22.644 8.162 0.751 1.00 0.00 N ATOM 802 CA SER C 381 22.688 8.748 -0.582 1.00 0.00 C ATOM 803 C SER C 381 23.546 7.887 -1.498 1.00 0.00 C ATOM 804 O SER C 381 24.704 7.606 -1.192 1.00 0.00 O ATOM 805 CB SER C 381 23.267 10.163 -0.520 1.00 0.00 C ATOM 806 OG SER C 381 24.452 10.151 0.264 1.00 0.00 O ATOM 0 H SER C 381 23.069 8.734 1.481 1.00 0.00 H new ATOM 0 HA SER C 381 21.673 8.796 -0.976 1.00 0.00 H new ATOM 0 HB2 SER C 381 23.486 10.523 -1.525 1.00 0.00 H new ATOM 0 HB3 SER C 381 22.538 10.848 -0.088 1.00 0.00 H new ATOM 0 HG SER C 381 24.957 9.331 0.081 1.00 0.00 H new ATOM 812 N LEU C 382 22.974 7.468 -2.623 1.00 0.00 N ATOM 813 CA LEU C 382 23.698 6.634 -3.580 1.00 0.00 C ATOM 814 C LEU C 382 24.263 7.490 -4.706 1.00 0.00 C ATOM 815 O LEU C 382 23.552 8.303 -5.296 1.00 0.00 O ATOM 816 CB LEU C 382 22.755 5.582 -4.177 1.00 0.00 C ATOM 817 CG LEU C 382 21.545 6.274 -4.869 1.00 0.00 C ATOM 818 CD1 LEU C 382 21.681 6.170 -6.394 1.00 0.00 C ATOM 819 CD2 LEU C 382 20.227 5.604 -4.439 1.00 0.00 C ATOM 0 H LEU C 382 22.016 7.690 -2.894 1.00 0.00 H new ATOM 0 HA LEU C 382 24.516 6.140 -3.056 1.00 0.00 H new ATOM 0 HB2 LEU C 382 23.294 4.968 -4.899 1.00 0.00 H new ATOM 0 HB3 LEU C 382 22.401 4.914 -3.392 1.00 0.00 H new ATOM 0 HG LEU C 382 21.534 7.322 -4.570 1.00 0.00 H new ATOM 0 HD11 LEU C 382 20.830 6.657 -6.869 1.00 0.00 H new ATOM 0 HD12 LEU C 382 22.602 6.659 -6.711 1.00 0.00 H new ATOM 0 HD13 LEU C 382 21.708 5.120 -6.686 1.00 0.00 H new ATOM 0 HD21 LEU C 382 19.390 6.099 -4.931 1.00 0.00 H new ATOM 0 HD22 LEU C 382 20.244 4.552 -4.723 1.00 0.00 H new ATOM 0 HD23 LEU C 382 20.113 5.686 -3.358 1.00 0.00 H new ATOM 831 N ASN C 383 25.545 7.302 -5.000 1.00 0.00 N ATOM 832 CA ASN C 383 26.195 8.062 -6.063 1.00 0.00 C ATOM 833 C ASN C 383 25.915 9.553 -5.904 1.00 0.00 C ATOM 834 O ASN C 383 25.223 10.155 -6.725 1.00 0.00 O ATOM 835 CB ASN C 383 25.699 7.589 -7.430 1.00 0.00 C ATOM 836 CG ASN C 383 26.175 6.165 -7.691 1.00 0.00 C ATOM 837 OD1 ASN C 383 27.252 5.776 -7.240 1.00 0.00 O ATOM 838 ND2 ASN C 383 25.429 5.357 -8.394 1.00 0.00 N ATOM 0 H ASN C 383 26.151 6.635 -4.522 1.00 0.00 H new ATOM 0 HA ASN C 383 27.270 7.896 -5.994 1.00 0.00 H new ATOM 0 HB2 ASN C 383 24.610 7.630 -7.466 1.00 0.00 H new ATOM 0 HB3 ASN C 383 26.069 8.254 -8.211 1.00 0.00 H new ATOM 0 HD21 ASN C 383 25.738 4.401 -8.570 1.00 0.00 H new ATOM 0 HD22 ASN C 383 24.537 5.681 -8.767 1.00 0.00 H new ATOM 845 N ILE C 384 26.453 10.143 -4.841 1.00 0.00 N ATOM 846 CA ILE C 384 26.251 11.567 -4.585 1.00 0.00 C ATOM 847 C ILE C 384 26.417 12.375 -5.872 1.00 0.00 C ATOM 848 O ILE C 384 25.481 13.066 -6.237 1.00 0.00 O ATOM 849 CB ILE C 384 27.257 12.056 -3.540 1.00 0.00 C ATOM 850 CG1 ILE C 384 26.994 11.345 -2.210 1.00 0.00 C ATOM 851 CG2 ILE C 384 27.100 13.568 -3.350 1.00 0.00 C ATOM 852 CD1 ILE C 384 28.149 11.624 -1.247 1.00 0.00 C ATOM 0 H ILE C 384 27.027 9.663 -4.148 1.00 0.00 H new ATOM 0 HA ILE C 384 25.237 11.709 -4.210 1.00 0.00 H new ATOM 0 HB ILE C 384 28.270 11.835 -3.877 1.00 0.00 H new ATOM 0 HG12 ILE C 384 26.055 11.692 -1.779 1.00 0.00 H new ATOM 0 HG13 ILE C 384 26.893 10.272 -2.373 1.00 0.00 H new ATOM 0 HG21 ILE C 384 27.816 13.917 -2.606 1.00 0.00 H new ATOM 0 HG22 ILE C 384 27.284 14.075 -4.297 1.00 0.00 H new ATOM 0 HG23 ILE C 384 26.088 13.789 -3.011 1.00 0.00 H new ATOM 0 HD11 ILE C 384 27.963 11.118 -0.300 1.00 0.00 H new ATOM 0 HD12 ILE C 384 29.080 11.255 -1.678 1.00 0.00 H new ATOM 0 HD13 ILE C 384 28.229 12.698 -1.076 1.00 0.00 H new TER 864 ILE C 384 HETATM 865 ZN ZN C 900 7.378 -1.582 -7.593 1.00 0.00 ZN HETATM 866 ZN ZN C 901 19.156 0.002 0.977 1.00 0.00 ZN