USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 443 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: A 44 CYS SG : rot 142:sc= 0.761 USER MOD Set 1.2: A 47 CYS SG : rot -48:sc= 0.438 USER MOD Set 1.3: A 71 CYS SG : rot -135:sc= 0.629 USER MOD Set 1.4: A 74 CYS SG : rot 105:sc= 0.0457 USER MOD Set 2.1: A 29 CYS SG : rot 165:sc= 0.659 USER MOD Set 2.2: A 32 CYS SG : rot -60:sc= 0.732 USER MOD Set 2.3: A 52 HIS : no HD1:sc= -1.38 X(o=0.42,f=0.38) USER MOD Set 2.4: A 55 CYS SG : rot 50:sc= 0.414 USER MOD Set 3.1: A 13 CYS SG : rot 171:sc= 0.683 USER MOD Set 3.2: A 16 CYS SG : rot -52:sc= 0.909 USER MOD Set 3.3: A 24 CYS SG : rot 127:sc= -0.271 USER MOD Set 3.4: A 27 CYS SG : rot 139:sc= 0.676 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -1.35 K(o=-1.4,f=-3.4!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 105:sc= 0.885 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.281 K(o=-0.28,f=-0.91) USER MOD Single : A 39 ASN : amide:sc= -0.653 K(o=-0.65,f=-3.2!) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.287 K(o=-0.29,f=-1.6) USER MOD Single : A 48 ASN : amide:sc= -0.0591 X(o=-0.059,f=-0.059) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.734 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0797 K(o=-0.08,f=-0.6) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= -0.477 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 13 -9.948 11.824 10.797 1.00 0.00 N ATOM 146 CA CYS A 13 -9.286 11.052 11.842 1.00 0.00 C ATOM 147 C CYS A 13 -9.314 11.799 13.172 1.00 0.00 C ATOM 148 O CYS A 13 -8.861 12.940 13.264 1.00 0.00 O ATOM 149 CB CYS A 13 -7.840 10.751 11.443 1.00 0.00 C ATOM 150 SG CYS A 13 -7.035 9.478 12.469 1.00 0.00 S ATOM 0 HA CYS A 13 -9.826 10.113 11.963 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.821 10.429 10.402 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.259 11.671 11.502 1.00 0.00 H new ATOM 0 HG CYS A 13 -5.893 9.153 11.940 1.00 0.00 H new ATOM 155 N ASP A 14 -9.849 11.148 14.198 1.00 0.00 N ATOM 156 CA ASP A 14 -9.935 11.749 15.524 1.00 0.00 C ATOM 157 C ASP A 14 -8.684 11.445 16.342 1.00 0.00 C ATOM 158 O ASP A 14 -8.316 12.204 17.239 1.00 0.00 O ATOM 159 CB ASP A 14 -11.176 11.239 16.259 1.00 0.00 C ATOM 160 CG ASP A 14 -12.403 11.207 15.370 1.00 0.00 C ATOM 161 OD1 ASP A 14 -12.868 12.291 14.961 1.00 0.00 O ATOM 162 OD2 ASP A 14 -12.900 10.097 15.083 1.00 0.00 O ATOM 0 H ASP A 14 -10.230 10.204 14.138 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.013 12.829 15.401 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.982 10.237 16.642 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.372 11.877 17.121 1.00 0.00 H new ATOM 167 N LEU A 15 -8.034 10.330 16.026 1.00 0.00 N ATOM 168 CA LEU A 15 -6.823 9.924 16.731 1.00 0.00 C ATOM 169 C LEU A 15 -5.782 11.038 16.711 1.00 0.00 C ATOM 170 O LEU A 15 -5.027 11.215 17.668 1.00 0.00 O ATOM 171 CB LEU A 15 -6.243 8.657 16.102 1.00 0.00 C ATOM 172 CG LEU A 15 -7.063 7.379 16.287 1.00 0.00 C ATOM 173 CD1 LEU A 15 -7.625 6.908 14.954 1.00 0.00 C ATOM 174 CD2 LEU A 15 -6.215 6.289 16.925 1.00 0.00 C ATOM 0 H LEU A 15 -8.325 9.691 15.286 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.088 9.718 17.768 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.116 8.831 15.034 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.250 8.491 16.519 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.898 7.599 16.953 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.205 5.998 15.105 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.267 7.683 14.536 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.805 6.705 14.265 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.815 5.387 17.049 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.360 6.071 16.285 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.862 6.626 17.899 1.00 0.00 H new ATOM 186 N CYS A 16 -5.748 11.790 15.616 1.00 0.00 N ATOM 187 CA CYS A 16 -4.801 12.889 15.471 1.00 0.00 C ATOM 188 C CYS A 16 -5.528 14.198 15.179 1.00 0.00 C ATOM 189 O CYS A 16 -5.124 15.262 15.647 1.00 0.00 O ATOM 190 CB CYS A 16 -3.804 12.586 14.350 1.00 0.00 C ATOM 191 SG CYS A 16 -4.581 12.165 12.757 1.00 0.00 S ATOM 0 H CYS A 16 -6.366 11.658 14.815 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.260 12.996 16.411 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.158 13.452 14.209 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.165 11.759 14.660 1.00 0.00 H new ATOM 0 HG CYS A 16 -5.457 11.221 12.937 1.00 0.00 H new ATOM 196 N GLY A 17 -6.604 14.112 14.403 1.00 0.00 N ATOM 197 CA GLY A 17 -7.370 15.296 14.062 1.00 0.00 C ATOM 198 C GLY A 17 -7.204 15.696 12.610 1.00 0.00 C ATOM 199 O GLY A 17 -8.083 16.332 12.029 1.00 0.00 O ATOM 0 H GLY A 17 -6.959 13.243 14.004 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.425 15.114 14.267 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.059 16.122 14.701 1.00 0.00 H new ATOM 203 N GLY A 18 -6.072 15.324 12.020 1.00 0.00 N ATOM 204 CA GLY A 18 -5.814 15.658 10.632 1.00 0.00 C ATOM 205 C GLY A 18 -4.698 16.672 10.478 1.00 0.00 C ATOM 206 O GLY A 18 -4.870 17.701 9.824 1.00 0.00 O ATOM 0 H GLY A 18 -5.329 14.797 12.479 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.555 14.751 10.085 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.724 16.053 10.181 1.00 0.00 H new ATOM 210 N ASP A 19 -3.551 16.384 11.083 1.00 0.00 N ATOM 211 CA ASP A 19 -2.402 17.279 11.011 1.00 0.00 C ATOM 212 C ASP A 19 -1.096 16.489 11.020 1.00 0.00 C ATOM 213 O ASP A 19 -1.026 15.365 11.517 1.00 0.00 O ATOM 214 CB ASP A 19 -2.423 18.266 12.179 1.00 0.00 C ATOM 215 CG ASP A 19 -2.777 19.674 11.741 1.00 0.00 C ATOM 216 OD1 ASP A 19 -3.863 19.856 11.150 1.00 0.00 O ATOM 217 OD2 ASP A 19 -1.969 20.593 11.989 1.00 0.00 O ATOM 0 H ASP A 19 -3.392 15.537 11.629 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.464 17.834 10.075 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.144 17.928 12.923 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.446 18.274 12.662 1.00 0.00 H new ATOM 222 N PRO A 20 -0.037 17.090 10.457 1.00 0.00 N ATOM 223 CA PRO A 20 1.285 16.460 10.387 1.00 0.00 C ATOM 224 C PRO A 20 1.949 16.354 11.755 1.00 0.00 C ATOM 225 O PRO A 20 2.456 15.296 12.128 1.00 0.00 O ATOM 226 CB PRO A 20 2.079 17.403 9.479 1.00 0.00 C ATOM 227 CG PRO A 20 1.409 18.725 9.628 1.00 0.00 C ATOM 228 CD PRO A 20 -0.049 18.429 9.846 1.00 0.00 C ATOM 0 HA PRO A 20 1.230 15.436 10.018 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.126 17.454 9.779 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.060 17.064 8.443 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.824 19.280 10.469 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.554 19.338 8.739 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.515 19.165 10.501 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.606 18.438 8.909 1.00 0.00 H new ATOM 236 N GLU A 21 1.942 17.455 12.499 1.00 0.00 N ATOM 237 CA GLU A 21 2.545 17.484 13.827 1.00 0.00 C ATOM 238 C GLU A 21 1.928 16.418 14.727 1.00 0.00 C ATOM 239 O GLU A 21 2.629 15.554 15.256 1.00 0.00 O ATOM 240 CB GLU A 21 2.370 18.866 14.460 1.00 0.00 C ATOM 241 CG GLU A 21 3.273 19.930 13.859 1.00 0.00 C ATOM 242 CD GLU A 21 3.542 21.075 14.815 1.00 0.00 C ATOM 243 OE1 GLU A 21 4.139 20.827 15.884 1.00 0.00 O ATOM 244 OE2 GLU A 21 3.157 22.219 14.495 1.00 0.00 O ATOM 0 H GLU A 21 1.526 18.339 12.205 1.00 0.00 H new ATOM 0 HA GLU A 21 3.609 17.273 13.720 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.332 19.178 14.349 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.569 18.794 15.529 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.220 19.475 13.567 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.814 20.320 12.951 1.00 0.00 H new ATOM 251 N LYS A 22 0.612 16.485 14.898 1.00 0.00 N ATOM 252 CA LYS A 22 -0.101 15.526 15.734 1.00 0.00 C ATOM 253 C LYS A 22 0.186 14.096 15.288 1.00 0.00 C ATOM 254 O LYS A 22 -0.365 13.621 14.295 1.00 0.00 O ATOM 255 CB LYS A 22 -1.607 15.795 15.682 1.00 0.00 C ATOM 256 CG LYS A 22 -1.981 17.228 16.017 1.00 0.00 C ATOM 257 CD LYS A 22 -3.010 17.290 17.132 1.00 0.00 C ATOM 258 CE LYS A 22 -2.907 18.591 17.914 1.00 0.00 C ATOM 259 NZ LYS A 22 -3.975 19.555 17.529 1.00 0.00 N ATOM 0 H LYS A 22 0.017 17.194 14.469 1.00 0.00 H new ATOM 0 HA LYS A 22 0.249 15.645 16.760 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.976 15.556 14.685 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.112 15.125 16.378 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.088 17.778 16.314 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.377 17.719 15.128 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.011 17.196 16.711 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.868 16.446 17.807 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.976 18.380 18.981 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.930 19.043 17.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.871 20.429 18.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.894 19.776 16.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.907 19.134 17.718 1.00 0.00 H new ATOM 273 N LYS A 23 1.052 13.413 16.029 1.00 0.00 N ATOM 274 CA LYS A 23 1.411 12.035 15.712 1.00 0.00 C ATOM 275 C LYS A 23 0.189 11.126 15.776 1.00 0.00 C ATOM 276 O LYS A 23 -0.735 11.364 16.555 1.00 0.00 O ATOM 277 CB LYS A 23 2.486 11.532 16.678 1.00 0.00 C ATOM 278 CG LYS A 23 3.471 10.566 16.043 1.00 0.00 C ATOM 279 CD LYS A 23 4.632 10.260 16.974 1.00 0.00 C ATOM 280 CE LYS A 23 5.874 11.052 16.596 1.00 0.00 C ATOM 281 NZ LYS A 23 6.635 11.496 17.796 1.00 0.00 N ATOM 0 H LYS A 23 1.519 13.791 16.854 1.00 0.00 H new ATOM 0 HA LYS A 23 1.805 12.013 14.696 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.033 12.386 17.076 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.003 11.042 17.523 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.958 9.640 15.784 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.851 10.991 15.114 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.348 10.494 18.000 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.855 9.194 16.941 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.517 10.439 15.964 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.584 11.922 16.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.474 12.032 17.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.030 12.102 18.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.934 10.665 18.345 1.00 0.00 H new ATOM 295 N CYS A 24 0.190 10.082 14.953 1.00 0.00 N ATOM 296 CA CYS A 24 -0.919 9.136 14.916 1.00 0.00 C ATOM 297 C CYS A 24 -0.407 7.705 14.777 1.00 0.00 C ATOM 298 O CYS A 24 0.715 7.476 14.327 1.00 0.00 O ATOM 299 CB CYS A 24 -1.861 9.467 13.758 1.00 0.00 C ATOM 300 SG CYS A 24 -3.551 8.817 13.965 1.00 0.00 S ATOM 0 H CYS A 24 0.947 9.870 14.303 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.467 9.219 15.855 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.911 10.550 13.643 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.440 9.067 12.835 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.409 9.782 13.814 1.00 0.00 H new ATOM 305 N HIS A 25 -1.240 6.744 15.168 1.00 0.00 N ATOM 306 CA HIS A 25 -0.873 5.335 15.087 1.00 0.00 C ATOM 307 C HIS A 25 -1.514 4.676 13.869 1.00 0.00 C ATOM 308 O HIS A 25 -0.982 3.711 13.321 1.00 0.00 O ATOM 309 CB HIS A 25 -1.295 4.602 16.360 1.00 0.00 C ATOM 310 CG HIS A 25 -0.148 4.250 17.257 1.00 0.00 C ATOM 311 ND1 HIS A 25 0.994 3.621 16.807 1.00 0.00 N ATOM 312 CD2 HIS A 25 0.029 4.443 18.585 1.00 0.00 C ATOM 313 CE1 HIS A 25 1.823 3.441 17.819 1.00 0.00 C ATOM 314 NE2 HIS A 25 1.261 3.932 18.910 1.00 0.00 N ATOM 0 H HIS A 25 -2.173 6.916 15.544 1.00 0.00 H new ATOM 0 HA HIS A 25 0.210 5.272 14.984 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.999 5.225 16.912 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.824 3.689 16.085 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.669 4.912 19.263 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.795 2.972 17.765 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.675 3.931 19.842 1.00 0.00 H new ATOM 322 N SER A 26 -2.661 5.204 13.452 1.00 0.00 N ATOM 323 CA SER A 26 -3.377 4.664 12.303 1.00 0.00 C ATOM 324 C SER A 26 -2.831 5.243 11.001 1.00 0.00 C ATOM 325 O SER A 26 -2.380 4.508 10.122 1.00 0.00 O ATOM 326 CB SER A 26 -4.873 4.965 12.420 1.00 0.00 C ATOM 327 OG SER A 26 -5.571 4.540 11.262 1.00 0.00 O ATOM 0 H SER A 26 -3.114 6.005 13.893 1.00 0.00 H new ATOM 0 HA SER A 26 -3.230 3.584 12.290 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.280 4.464 13.298 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.022 6.035 12.566 1.00 0.00 H new ATOM 0 HG SER A 26 -6.525 4.742 11.362 1.00 0.00 H new ATOM 333 N CYS A 27 -2.875 6.566 10.885 1.00 0.00 N ATOM 334 CA CYS A 27 -2.386 7.246 9.692 1.00 0.00 C ATOM 335 C CYS A 27 -0.944 6.848 9.392 1.00 0.00 C ATOM 336 O CYS A 27 -0.507 6.881 8.241 1.00 0.00 O ATOM 337 CB CYS A 27 -2.481 8.763 9.869 1.00 0.00 C ATOM 338 SG CYS A 27 -4.166 9.368 10.207 1.00 0.00 S ATOM 0 H CYS A 27 -3.245 7.189 11.603 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.011 6.945 8.851 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.827 9.064 10.688 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.107 9.247 8.967 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.119 10.299 11.113 1.00 0.00 H new ATOM 343 N SER A 28 -0.210 6.471 10.434 1.00 0.00 N ATOM 344 CA SER A 28 1.183 6.070 10.283 1.00 0.00 C ATOM 345 C SER A 28 1.409 4.668 10.843 1.00 0.00 C ATOM 346 O SER A 28 0.458 3.958 11.171 1.00 0.00 O ATOM 347 CB SER A 28 2.103 7.067 10.989 1.00 0.00 C ATOM 348 OG SER A 28 2.250 6.742 12.361 1.00 0.00 O ATOM 0 H SER A 28 -0.557 6.435 11.392 1.00 0.00 H new ATOM 0 HA SER A 28 1.418 6.060 9.219 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.080 7.070 10.506 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.696 8.074 10.892 1.00 0.00 H new ATOM 0 HG SER A 28 3.131 6.339 12.509 1.00 0.00 H new ATOM 354 N CYS A 29 2.674 4.277 10.949 1.00 0.00 N ATOM 355 CA CYS A 29 3.027 2.961 11.468 1.00 0.00 C ATOM 356 C CYS A 29 2.394 2.729 12.837 1.00 0.00 C ATOM 357 O CYS A 29 2.538 3.546 13.746 1.00 0.00 O ATOM 358 CB CYS A 29 4.547 2.820 11.567 1.00 0.00 C ATOM 359 SG CYS A 29 5.120 1.112 11.836 1.00 0.00 S ATOM 0 H CYS A 29 3.472 4.853 10.682 1.00 0.00 H new ATOM 0 HA CYS A 29 2.643 2.210 10.777 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.997 3.203 10.651 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.907 3.445 12.384 1.00 0.00 H new ATOM 0 HG CYS A 29 6.393 1.036 11.583 1.00 0.00 H new ATOM 364 N ARG A 30 1.693 1.608 12.975 1.00 0.00 N ATOM 365 CA ARG A 30 1.036 1.268 14.232 1.00 0.00 C ATOM 366 C ARG A 30 1.932 0.379 15.089 1.00 0.00 C ATOM 367 O ARG A 30 1.727 0.254 16.297 1.00 0.00 O ATOM 368 CB ARG A 30 -0.294 0.562 13.962 1.00 0.00 C ATOM 369 CG ARG A 30 -1.355 0.841 15.013 1.00 0.00 C ATOM 370 CD ARG A 30 -2.682 1.225 14.377 1.00 0.00 C ATOM 371 NE ARG A 30 -3.805 0.512 14.978 1.00 0.00 N ATOM 372 CZ ARG A 30 -4.224 0.716 16.222 1.00 0.00 C ATOM 373 NH1 ARG A 30 -3.617 1.609 16.991 1.00 0.00 N ATOM 374 NH2 ARG A 30 -5.254 0.028 16.698 1.00 0.00 N ATOM 0 H ARG A 30 1.565 0.920 12.233 1.00 0.00 H new ATOM 0 HA ARG A 30 0.844 2.193 14.776 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.670 0.873 12.987 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.121 -0.513 13.909 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.491 -0.042 15.637 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.018 1.645 15.667 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.837 2.299 14.482 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.647 1.011 13.309 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.295 -0.181 14.412 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.826 2.141 16.628 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.941 1.764 17.946 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.725 -0.658 16.109 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.575 0.186 17.653 1.00 0.00 H new ATOM 388 N VAL A 31 2.926 -0.237 14.457 1.00 0.00 N ATOM 389 CA VAL A 31 3.853 -1.114 15.162 1.00 0.00 C ATOM 390 C VAL A 31 4.790 -0.315 16.060 1.00 0.00 C ATOM 391 O VAL A 31 4.650 -0.320 17.283 1.00 0.00 O ATOM 392 CB VAL A 31 4.692 -1.951 14.178 1.00 0.00 C ATOM 393 CG1 VAL A 31 5.689 -2.820 14.930 1.00 0.00 C ATOM 394 CG2 VAL A 31 3.789 -2.801 13.297 1.00 0.00 C ATOM 0 H VAL A 31 3.110 -0.145 13.458 1.00 0.00 H new ATOM 0 HA VAL A 31 3.251 -1.784 15.775 1.00 0.00 H new ATOM 0 HB VAL A 31 5.252 -1.271 13.536 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.272 -3.404 14.218 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.357 -2.186 15.513 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.153 -3.494 15.598 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.399 -3.386 12.608 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.200 -3.474 13.921 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.120 -2.154 12.730 1.00 0.00 H new ATOM 404 N CYS A 32 5.747 0.373 15.445 1.00 0.00 N ATOM 405 CA CYS A 32 6.709 1.178 16.188 1.00 0.00 C ATOM 406 C CYS A 32 6.095 2.512 16.604 1.00 0.00 C ATOM 407 O CYS A 32 6.515 3.120 17.588 1.00 0.00 O ATOM 408 CB CYS A 32 7.961 1.422 15.344 1.00 0.00 C ATOM 409 SG CYS A 32 7.708 2.570 13.952 1.00 0.00 S ATOM 0 H CYS A 32 5.877 0.389 14.433 1.00 0.00 H new ATOM 0 HA CYS A 32 6.987 0.629 17.088 1.00 0.00 H new ATOM 0 HB2 CYS A 32 8.748 1.815 15.987 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.315 0.468 14.954 1.00 0.00 H new ATOM 0 HG CYS A 32 6.792 2.097 13.160 1.00 0.00 H new ATOM 414 N GLY A 33 5.097 2.960 15.848 1.00 0.00 N ATOM 415 CA GLY A 33 4.442 4.218 16.153 1.00 0.00 C ATOM 416 C GLY A 33 5.178 5.411 15.575 1.00 0.00 C ATOM 417 O GLY A 33 5.251 6.467 16.202 1.00 0.00 O ATOM 0 H GLY A 33 4.731 2.474 15.030 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.425 4.198 15.762 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.366 4.331 17.234 1.00 0.00 H new ATOM 421 N GLY A 34 5.726 5.241 14.376 1.00 0.00 N ATOM 422 CA GLY A 34 6.455 6.320 13.735 1.00 0.00 C ATOM 423 C GLY A 34 5.646 7.000 12.648 1.00 0.00 C ATOM 424 O GLY A 34 4.800 6.373 12.008 1.00 0.00 O ATOM 0 H GLY A 34 5.678 4.376 13.837 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.742 7.057 14.485 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.377 5.927 13.306 1.00 0.00 H new ATOM 428 N LYS A 35 5.903 8.286 12.438 1.00 0.00 N ATOM 429 CA LYS A 35 5.193 9.053 11.421 1.00 0.00 C ATOM 430 C LYS A 35 6.164 9.628 10.395 1.00 0.00 C ATOM 431 O LYS A 35 6.044 10.785 9.991 1.00 0.00 O ATOM 432 CB LYS A 35 4.394 10.185 12.072 1.00 0.00 C ATOM 433 CG LYS A 35 3.267 10.713 11.201 1.00 0.00 C ATOM 434 CD LYS A 35 2.517 11.844 11.885 1.00 0.00 C ATOM 435 CE LYS A 35 1.012 11.632 11.824 1.00 0.00 C ATOM 436 NZ LYS A 35 0.468 11.905 10.465 1.00 0.00 N ATOM 0 H LYS A 35 6.599 8.820 12.959 1.00 0.00 H new ATOM 0 HA LYS A 35 4.507 8.379 10.908 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.977 9.829 13.014 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.071 11.005 12.312 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.673 11.066 10.253 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.575 9.903 10.970 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.834 11.915 12.926 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.772 12.791 11.409 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.778 10.606 12.110 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.524 12.284 12.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.560 11.749 10.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.669 12.891 10.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.915 11.266 9.777 1.00 0.00 H new ATOM 450 N HIS A 36 7.126 8.811 9.976 1.00 0.00 N ATOM 451 CA HIS A 36 8.117 9.238 8.994 1.00 0.00 C ATOM 452 C HIS A 36 8.244 8.215 7.870 1.00 0.00 C ATOM 453 O HIS A 36 7.672 7.127 7.941 1.00 0.00 O ATOM 454 CB HIS A 36 9.474 9.445 9.667 1.00 0.00 C ATOM 455 CG HIS A 36 9.931 8.267 10.470 1.00 0.00 C ATOM 456 ND1 HIS A 36 9.366 7.915 11.678 1.00 0.00 N ATOM 457 CD2 HIS A 36 10.904 7.357 10.232 1.00 0.00 C ATOM 458 CE1 HIS A 36 9.973 6.840 12.148 1.00 0.00 C ATOM 459 NE2 HIS A 36 10.910 6.481 11.290 1.00 0.00 N ATOM 0 H HIS A 36 7.240 7.851 10.301 1.00 0.00 H new ATOM 0 HA HIS A 36 7.784 10.183 8.565 1.00 0.00 H new ATOM 0 HB2 HIS A 36 10.220 9.664 8.903 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.418 10.318 10.317 1.00 0.00 H new ATOM 0 HD2 HIS A 36 11.555 7.325 9.371 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.742 6.340 13.077 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.536 5.683 11.396 1.00 0.00 H new ATOM 467 N GLU A 37 8.996 8.572 6.833 1.00 0.00 N ATOM 468 CA GLU A 37 9.196 7.684 5.694 1.00 0.00 C ATOM 469 C GLU A 37 7.858 7.245 5.105 1.00 0.00 C ATOM 470 O GLU A 37 7.494 6.069 5.135 1.00 0.00 O ATOM 471 CB GLU A 37 10.009 6.457 6.111 1.00 0.00 C ATOM 472 CG GLU A 37 11.462 6.769 6.428 1.00 0.00 C ATOM 473 CD GLU A 37 12.429 5.986 5.562 1.00 0.00 C ATOM 474 OE1 GLU A 37 12.105 4.834 5.203 1.00 0.00 O ATOM 475 OE2 GLU A 37 13.510 6.524 5.242 1.00 0.00 O ATOM 0 H GLU A 37 9.476 9.469 6.759 1.00 0.00 H new ATOM 0 HA GLU A 37 9.747 8.233 4.931 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.544 6.004 6.987 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.971 5.717 5.311 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.639 7.836 6.291 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.657 6.546 7.477 1.00 0.00 H new ATOM 482 N PRO A 38 7.107 8.212 4.557 1.00 0.00 N ATOM 483 CA PRO A 38 5.798 7.950 3.951 1.00 0.00 C ATOM 484 C PRO A 38 5.909 7.163 2.650 1.00 0.00 C ATOM 485 O PRO A 38 4.968 6.484 2.243 1.00 0.00 O ATOM 486 CB PRO A 38 5.245 9.352 3.683 1.00 0.00 C ATOM 487 CG PRO A 38 6.451 10.217 3.556 1.00 0.00 C ATOM 488 CD PRO A 38 7.478 9.635 4.487 1.00 0.00 C ATOM 0 HA PRO A 38 5.164 7.343 4.597 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.645 9.374 2.773 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.602 9.686 4.497 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.817 10.228 2.529 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.221 11.248 3.824 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.490 9.768 4.103 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.445 10.108 5.469 1.00 0.00 H new ATOM 496 N ASN A 39 7.065 7.260 2.002 1.00 0.00 N ATOM 497 CA ASN A 39 7.298 6.556 0.746 1.00 0.00 C ATOM 498 C ASN A 39 7.458 5.058 0.983 1.00 0.00 C ATOM 499 O ASN A 39 7.076 4.242 0.145 1.00 0.00 O ATOM 500 CB ASN A 39 8.544 7.110 0.051 1.00 0.00 C ATOM 501 CG ASN A 39 9.827 6.674 0.731 1.00 0.00 C ATOM 502 OD1 ASN A 39 9.971 6.797 1.947 1.00 0.00 O ATOM 503 ND2 ASN A 39 10.768 6.161 -0.054 1.00 0.00 N ATOM 0 H ASN A 39 7.855 7.819 2.325 1.00 0.00 H new ATOM 0 HA ASN A 39 6.431 6.713 0.104 1.00 0.00 H new ATOM 0 HB2 ASN A 39 8.555 6.778 -0.987 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.495 8.199 0.037 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.653 5.850 0.347 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.605 6.078 -1.058 1.00 0.00 H new ATOM 510 N MET A 40 8.025 4.703 2.132 1.00 0.00 N ATOM 511 CA MET A 40 8.234 3.303 2.480 1.00 0.00 C ATOM 512 C MET A 40 7.102 2.788 3.363 1.00 0.00 C ATOM 513 O MET A 40 7.287 1.853 4.142 1.00 0.00 O ATOM 514 CB MET A 40 9.575 3.128 3.196 1.00 0.00 C ATOM 515 CG MET A 40 10.770 3.558 2.362 1.00 0.00 C ATOM 516 SD MET A 40 11.727 2.159 1.746 1.00 0.00 S ATOM 517 CE MET A 40 12.851 1.890 3.114 1.00 0.00 C ATOM 0 H MET A 40 8.348 5.366 2.837 1.00 0.00 H new ATOM 0 HA MET A 40 8.245 2.723 1.557 1.00 0.00 H new ATOM 0 HB2 MET A 40 9.562 3.705 4.121 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.695 2.081 3.475 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.423 4.156 1.519 1.00 0.00 H new ATOM 0 HG3 MET A 40 11.416 4.199 2.963 1.00 0.00 H new ATOM 0 HE1 MET A 40 13.511 1.053 2.884 1.00 0.00 H new ATOM 0 HE2 MET A 40 13.447 2.788 3.277 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.280 1.665 4.015 1.00 0.00 H new ATOM 527 N GLN A 41 5.931 3.404 3.236 1.00 0.00 N ATOM 528 CA GLN A 41 4.770 3.007 4.024 1.00 0.00 C ATOM 529 C GLN A 41 3.769 2.238 3.168 1.00 0.00 C ATOM 530 O GLN A 41 3.387 2.687 2.086 1.00 0.00 O ATOM 531 CB GLN A 41 4.097 4.237 4.635 1.00 0.00 C ATOM 532 CG GLN A 41 4.610 4.584 6.023 1.00 0.00 C ATOM 533 CD GLN A 41 3.887 5.768 6.634 1.00 0.00 C ATOM 534 OE1 GLN A 41 3.317 6.596 5.923 1.00 0.00 O ATOM 535 NE2 GLN A 41 3.906 5.855 7.959 1.00 0.00 N ATOM 0 H GLN A 41 5.761 4.179 2.595 1.00 0.00 H new ATOM 0 HA GLN A 41 5.113 2.353 4.826 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.252 5.091 3.975 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.022 4.065 4.687 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.496 3.718 6.675 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.676 4.804 5.968 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.391 5.146 8.510 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.436 6.631 8.426 1.00 0.00 H new ATOM 544 N LEU A 42 3.347 1.077 3.658 1.00 0.00 N ATOM 545 CA LEU A 42 2.390 0.245 2.938 1.00 0.00 C ATOM 546 C LEU A 42 0.981 0.432 3.492 1.00 0.00 C ATOM 547 O LEU A 42 0.742 0.250 4.686 1.00 0.00 O ATOM 548 CB LEU A 42 2.795 -1.228 3.030 1.00 0.00 C ATOM 549 CG LEU A 42 4.292 -1.520 2.927 1.00 0.00 C ATOM 550 CD1 LEU A 42 4.560 -3.005 3.117 1.00 0.00 C ATOM 551 CD2 LEU A 42 4.838 -1.044 1.589 1.00 0.00 C ATOM 0 H LEU A 42 3.653 0.691 4.551 1.00 0.00 H new ATOM 0 HA LEU A 42 2.393 0.552 1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.432 -1.625 3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.283 -1.775 2.238 1.00 0.00 H new ATOM 0 HG LEU A 42 4.804 -0.975 3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.631 -3.194 3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.206 -3.316 4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.036 -3.571 2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.905 -1.260 1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.321 -1.560 0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.680 0.030 1.493 1.00 0.00 H new ATOM 563 N LEU A 43 0.050 0.795 2.616 1.00 0.00 N ATOM 564 CA LEU A 43 -1.337 1.004 3.016 1.00 0.00 C ATOM 565 C LEU A 43 -2.173 -0.245 2.757 1.00 0.00 C ATOM 566 O LEU A 43 -1.985 -0.935 1.755 1.00 0.00 O ATOM 567 CB LEU A 43 -1.931 2.195 2.262 1.00 0.00 C ATOM 568 CG LEU A 43 -2.569 3.285 3.124 1.00 0.00 C ATOM 569 CD1 LEU A 43 -3.704 2.710 3.957 1.00 0.00 C ATOM 570 CD2 LEU A 43 -1.525 3.936 4.019 1.00 0.00 C ATOM 0 H LEU A 43 0.231 0.951 1.624 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.353 1.214 4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.143 2.649 1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.684 1.821 1.568 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.981 4.049 2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.146 3.500 4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.464 2.291 3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.317 1.926 4.608 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.997 4.709 4.625 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.084 3.182 4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.745 4.384 3.403 1.00 0.00 H new ATOM 582 N CYS A 44 -3.098 -0.530 3.667 1.00 0.00 N ATOM 583 CA CYS A 44 -3.965 -1.695 3.538 1.00 0.00 C ATOM 584 C CYS A 44 -5.183 -1.374 2.675 1.00 0.00 C ATOM 585 O CYS A 44 -5.707 -0.261 2.713 1.00 0.00 O ATOM 586 CB CYS A 44 -4.417 -2.176 4.918 1.00 0.00 C ATOM 587 SG CYS A 44 -5.377 -3.724 4.889 1.00 0.00 S ATOM 0 H CYS A 44 -3.267 0.030 4.502 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.396 -2.488 3.053 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.538 -2.318 5.547 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.020 -1.396 5.383 1.00 0.00 H new ATOM 0 HG CYS A 44 -5.050 -4.457 5.912 1.00 0.00 H new ATOM 592 N ASP A 45 -5.627 -2.357 1.900 1.00 0.00 N ATOM 593 CA ASP A 45 -6.783 -2.180 1.028 1.00 0.00 C ATOM 594 C ASP A 45 -8.053 -2.692 1.701 1.00 0.00 C ATOM 595 O ASP A 45 -8.995 -3.111 1.030 1.00 0.00 O ATOM 596 CB ASP A 45 -6.564 -2.910 -0.298 1.00 0.00 C ATOM 597 CG ASP A 45 -6.704 -1.989 -1.495 1.00 0.00 C ATOM 598 OD1 ASP A 45 -7.783 -1.381 -1.652 1.00 0.00 O ATOM 599 OD2 ASP A 45 -5.735 -1.877 -2.274 1.00 0.00 O ATOM 0 H ASP A 45 -5.205 -3.284 1.857 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.901 -1.114 0.832 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.571 -3.359 -0.303 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.283 -3.725 -0.384 1.00 0.00 H new ATOM 604 N GLU A 46 -8.069 -2.655 3.030 1.00 0.00 N ATOM 605 CA GLU A 46 -9.223 -3.116 3.792 1.00 0.00 C ATOM 606 C GLU A 46 -9.520 -2.173 4.954 1.00 0.00 C ATOM 607 O GLU A 46 -10.622 -1.636 5.067 1.00 0.00 O ATOM 608 CB GLU A 46 -8.981 -4.532 4.319 1.00 0.00 C ATOM 609 CG GLU A 46 -10.231 -5.199 4.868 1.00 0.00 C ATOM 610 CD GLU A 46 -11.315 -5.361 3.820 1.00 0.00 C ATOM 611 OE1 GLU A 46 -10.973 -5.627 2.649 1.00 0.00 O ATOM 612 OE2 GLU A 46 -12.505 -5.221 4.172 1.00 0.00 O ATOM 0 H GLU A 46 -7.297 -2.311 3.600 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.086 -3.126 3.126 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.575 -5.146 3.515 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.225 -4.494 5.103 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.969 -6.178 5.269 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.619 -4.608 5.698 1.00 0.00 H new ATOM 619 N CYS A 47 -8.529 -1.977 5.817 1.00 0.00 N ATOM 620 CA CYS A 47 -8.682 -1.101 6.972 1.00 0.00 C ATOM 621 C CYS A 47 -8.006 0.246 6.727 1.00 0.00 C ATOM 622 O CYS A 47 -8.220 1.203 7.469 1.00 0.00 O ATOM 623 CB CYS A 47 -8.091 -1.760 8.221 1.00 0.00 C ATOM 624 SG CYS A 47 -6.312 -2.131 8.094 1.00 0.00 S ATOM 0 H CYS A 47 -7.611 -2.414 5.738 1.00 0.00 H new ATOM 0 HA CYS A 47 -9.747 -0.931 7.128 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.255 -1.105 9.077 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.631 -2.686 8.421 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.072 -2.726 6.963 1.00 0.00 H new ATOM 629 N ASN A 48 -7.191 0.310 5.679 1.00 0.00 N ATOM 630 CA ASN A 48 -6.484 1.538 5.335 1.00 0.00 C ATOM 631 C ASN A 48 -5.510 1.933 6.441 1.00 0.00 C ATOM 632 O ASN A 48 -5.667 2.974 7.079 1.00 0.00 O ATOM 633 CB ASN A 48 -7.480 2.673 5.088 1.00 0.00 C ATOM 634 CG ASN A 48 -8.631 2.248 4.197 1.00 0.00 C ATOM 635 OD1 ASN A 48 -8.459 2.048 2.994 1.00 0.00 O ATOM 636 ND2 ASN A 48 -9.814 2.109 4.784 1.00 0.00 N ATOM 0 H ASN A 48 -7.004 -0.474 5.054 1.00 0.00 H new ATOM 0 HA ASN A 48 -5.916 1.357 4.422 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.873 3.022 6.043 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -6.961 3.515 4.630 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.626 1.826 4.235 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.911 2.285 5.784 1.00 0.00 H new ATOM 643 N VAL A 49 -4.503 1.094 6.662 1.00 0.00 N ATOM 644 CA VAL A 49 -3.501 1.356 7.689 1.00 0.00 C ATOM 645 C VAL A 49 -2.099 1.398 7.092 1.00 0.00 C ATOM 646 O VAL A 49 -1.738 0.557 6.269 1.00 0.00 O ATOM 647 CB VAL A 49 -3.543 0.288 8.798 1.00 0.00 C ATOM 648 CG1 VAL A 49 -3.092 -1.061 8.258 1.00 0.00 C ATOM 649 CG2 VAL A 49 -2.683 0.713 9.979 1.00 0.00 C ATOM 0 H VAL A 49 -4.359 0.227 6.144 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.737 2.328 8.121 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.572 0.188 9.144 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.128 -1.803 9.056 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.753 -1.368 7.447 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.071 -0.980 7.884 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.724 -0.053 10.753 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.652 0.842 9.650 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.056 1.655 10.380 1.00 0.00 H new ATOM 659 N ALA A 50 -1.313 2.384 7.512 1.00 0.00 N ATOM 660 CA ALA A 50 0.051 2.535 7.020 1.00 0.00 C ATOM 661 C ALA A 50 1.038 1.770 7.895 1.00 0.00 C ATOM 662 O ALA A 50 1.095 1.975 9.108 1.00 0.00 O ATOM 663 CB ALA A 50 0.430 4.007 6.957 1.00 0.00 C ATOM 0 H ALA A 50 -1.597 3.090 8.191 1.00 0.00 H new ATOM 0 HA ALA A 50 0.096 2.116 6.015 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.451 4.104 6.588 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.250 4.529 6.284 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.361 4.443 7.953 1.00 0.00 H new ATOM 669 N TYR A 51 1.812 0.888 7.274 1.00 0.00 N ATOM 670 CA TYR A 51 2.795 0.090 7.997 1.00 0.00 C ATOM 671 C TYR A 51 4.147 0.117 7.290 1.00 0.00 C ATOM 672 O TYR A 51 4.222 0.012 6.065 1.00 0.00 O ATOM 673 CB TYR A 51 2.309 -1.354 8.135 1.00 0.00 C ATOM 674 CG TYR A 51 1.429 -1.584 9.343 1.00 0.00 C ATOM 675 CD1 TYR A 51 1.934 -1.449 10.631 1.00 0.00 C ATOM 676 CD2 TYR A 51 0.093 -1.935 9.197 1.00 0.00 C ATOM 677 CE1 TYR A 51 1.134 -1.659 11.737 1.00 0.00 C ATOM 678 CE2 TYR A 51 -0.715 -2.145 10.298 1.00 0.00 C ATOM 679 CZ TYR A 51 -0.189 -2.006 11.566 1.00 0.00 C ATOM 680 OH TYR A 51 -0.990 -2.215 12.666 1.00 0.00 O ATOM 0 H TYR A 51 1.778 0.707 6.271 1.00 0.00 H new ATOM 0 HA TYR A 51 2.916 0.523 8.990 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.757 -1.630 7.236 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.173 -2.015 8.194 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.970 -1.175 10.769 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.321 -2.046 8.206 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.543 -1.552 12.731 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.752 -2.416 10.167 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.895 -2.451 12.372 1.00 0.00 H new ATOM 690 N HIS A 52 5.213 0.259 8.071 1.00 0.00 N ATOM 691 CA HIS A 52 6.563 0.300 7.521 1.00 0.00 C ATOM 692 C HIS A 52 6.966 -1.064 6.968 1.00 0.00 C ATOM 693 O HIS A 52 6.369 -2.085 7.312 1.00 0.00 O ATOM 694 CB HIS A 52 7.560 0.743 8.592 1.00 0.00 C ATOM 695 CG HIS A 52 7.352 2.151 9.057 1.00 0.00 C ATOM 696 ND1 HIS A 52 7.843 2.629 10.255 1.00 0.00 N ATOM 697 CD2 HIS A 52 6.705 3.189 8.477 1.00 0.00 C ATOM 698 CE1 HIS A 52 7.504 3.898 10.392 1.00 0.00 C ATOM 699 NE2 HIS A 52 6.813 4.263 9.327 1.00 0.00 N ATOM 0 H HIS A 52 5.168 0.348 9.086 1.00 0.00 H new ATOM 0 HA HIS A 52 6.574 1.022 6.704 1.00 0.00 H new ATOM 0 HB2 HIS A 52 7.484 0.072 9.447 1.00 0.00 H new ATOM 0 HB3 HIS A 52 8.572 0.645 8.198 1.00 0.00 H new ATOM 0 HD2 HIS A 52 6.198 3.175 7.523 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.750 4.530 11.232 1.00 0.00 H new ATOM 0 HE2 HIS A 52 6.423 5.191 9.162 1.00 0.00 H new ATOM 707 N ILE A 53 7.980 -1.073 6.110 1.00 0.00 N ATOM 708 CA ILE A 53 8.462 -2.312 5.511 1.00 0.00 C ATOM 709 C ILE A 53 9.370 -3.071 6.472 1.00 0.00 C ATOM 710 O ILE A 53 9.659 -4.250 6.268 1.00 0.00 O ATOM 711 CB ILE A 53 9.228 -2.043 4.202 1.00 0.00 C ATOM 712 CG1 ILE A 53 10.433 -1.138 4.468 1.00 0.00 C ATOM 713 CG2 ILE A 53 8.306 -1.416 3.167 1.00 0.00 C ATOM 714 CD1 ILE A 53 11.702 -1.607 3.792 1.00 0.00 C ATOM 0 H ILE A 53 8.484 -0.237 5.814 1.00 0.00 H new ATOM 0 HA ILE A 53 7.584 -2.919 5.291 1.00 0.00 H new ATOM 0 HB ILE A 53 9.590 -2.993 3.809 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.201 -0.129 4.128 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.604 -1.080 5.543 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.862 -1.232 2.248 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.477 -2.093 2.960 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.917 -0.473 3.550 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.514 -0.918 4.024 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.958 -2.604 4.151 1.00 0.00 H new ATOM 0 HD13 ILE A 53 11.550 -1.637 2.713 1.00 0.00 H new ATOM 726 N TYR A 54 9.815 -2.388 7.520 1.00 0.00 N ATOM 727 CA TYR A 54 10.691 -2.998 8.514 1.00 0.00 C ATOM 728 C TYR A 54 10.002 -3.076 9.873 1.00 0.00 C ATOM 729 O TYR A 54 10.658 -3.105 10.914 1.00 0.00 O ATOM 730 CB TYR A 54 11.992 -2.202 8.635 1.00 0.00 C ATOM 731 CG TYR A 54 11.782 -0.707 8.713 1.00 0.00 C ATOM 732 CD1 TYR A 54 11.480 -0.090 9.921 1.00 0.00 C ATOM 733 CD2 TYR A 54 11.886 0.090 7.579 1.00 0.00 C ATOM 734 CE1 TYR A 54 11.287 1.276 9.997 1.00 0.00 C ATOM 735 CE2 TYR A 54 11.696 1.456 7.646 1.00 0.00 C ATOM 736 CZ TYR A 54 11.396 2.045 8.857 1.00 0.00 C ATOM 737 OH TYR A 54 11.205 3.406 8.929 1.00 0.00 O ATOM 0 H TYR A 54 9.584 -1.412 7.704 1.00 0.00 H new ATOM 0 HA TYR A 54 10.921 -4.011 8.185 1.00 0.00 H new ATOM 0 HB2 TYR A 54 12.529 -2.532 9.525 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.627 -2.427 7.778 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.395 -0.689 10.816 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.120 -0.367 6.629 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.052 1.739 10.944 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.782 2.060 6.755 1.00 0.00 H new ATOM 0 HH TYR A 54 11.318 3.800 8.039 1.00 0.00 H new ATOM 747 N CYS A 55 8.674 -3.112 9.854 1.00 0.00 N ATOM 748 CA CYS A 55 7.893 -3.187 11.083 1.00 0.00 C ATOM 749 C CYS A 55 6.764 -4.205 10.948 1.00 0.00 C ATOM 750 O CYS A 55 5.779 -4.158 11.686 1.00 0.00 O ATOM 751 CB CYS A 55 7.317 -1.813 11.431 1.00 0.00 C ATOM 752 SG CYS A 55 8.568 -0.588 11.932 1.00 0.00 S ATOM 0 H CYS A 55 8.116 -3.090 9.001 1.00 0.00 H new ATOM 0 HA CYS A 55 8.556 -3.509 11.886 1.00 0.00 H new ATOM 0 HB2 CYS A 55 6.774 -1.429 10.567 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.593 -1.928 12.238 1.00 0.00 H new ATOM 0 HG CYS A 55 9.535 -0.575 11.063 1.00 0.00 H new ATOM 757 N LEU A 56 6.914 -5.125 10.001 1.00 0.00 N ATOM 758 CA LEU A 56 5.908 -6.155 9.769 1.00 0.00 C ATOM 759 C LEU A 56 6.217 -7.411 10.577 1.00 0.00 C ATOM 760 O LEU A 56 7.187 -7.450 11.334 1.00 0.00 O ATOM 761 CB LEU A 56 5.835 -6.498 8.280 1.00 0.00 C ATOM 762 CG LEU A 56 5.046 -5.525 7.404 1.00 0.00 C ATOM 763 CD1 LEU A 56 5.151 -5.919 5.939 1.00 0.00 C ATOM 764 CD2 LEU A 56 3.590 -5.473 7.842 1.00 0.00 C ATOM 0 H LEU A 56 7.723 -5.178 9.382 1.00 0.00 H new ATOM 0 HA LEU A 56 4.943 -5.765 10.094 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.852 -6.562 7.892 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.392 -7.489 8.177 1.00 0.00 H new ATOM 0 HG LEU A 56 5.475 -4.530 7.522 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.583 -5.215 5.331 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.197 -5.902 5.632 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.749 -6.923 5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.044 -4.775 7.207 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.148 -6.466 7.754 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.534 -5.141 8.879 1.00 0.00 H new ATOM 776 N ASN A 57 5.387 -8.435 10.410 1.00 0.00 N ATOM 777 CA ASN A 57 5.573 -9.694 11.124 1.00 0.00 C ATOM 778 C ASN A 57 5.086 -10.872 10.285 1.00 0.00 C ATOM 779 O ASN A 57 3.901 -11.207 10.271 1.00 0.00 O ATOM 780 CB ASN A 57 4.829 -9.661 12.460 1.00 0.00 C ATOM 781 CG ASN A 57 5.755 -9.867 13.643 1.00 0.00 C ATOM 782 OD1 ASN A 57 6.719 -10.629 13.566 1.00 0.00 O ATOM 783 ND2 ASN A 57 5.465 -9.186 14.746 1.00 0.00 N ATOM 0 H ASN A 57 4.579 -8.418 9.787 1.00 0.00 H new ATOM 0 HA ASN A 57 6.639 -9.822 11.313 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.318 -8.704 12.565 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.061 -10.435 12.464 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.052 -9.283 15.575 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.656 -8.566 14.764 1.00 0.00 H new ATOM 790 N PRO A 58 6.020 -11.516 9.571 1.00 0.00 N ATOM 791 CA PRO A 58 7.433 -11.126 9.580 1.00 0.00 C ATOM 792 C PRO A 58 7.672 -9.795 8.875 1.00 0.00 C ATOM 793 O PRO A 58 6.796 -9.259 8.196 1.00 0.00 O ATOM 794 CB PRO A 58 8.121 -12.263 8.822 1.00 0.00 C ATOM 795 CG PRO A 58 7.059 -12.827 7.941 1.00 0.00 C ATOM 796 CD PRO A 58 5.769 -12.675 8.698 1.00 0.00 C ATOM 0 HA PRO A 58 7.809 -10.983 10.593 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.966 -11.896 8.239 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.510 -13.017 9.506 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.018 -12.296 6.990 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.257 -13.874 7.713 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.928 -12.498 8.027 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.534 -13.569 9.275 1.00 0.00 H new ATOM 804 N PRO A 59 8.885 -9.247 9.039 1.00 0.00 N ATOM 805 CA PRO A 59 9.267 -7.972 8.425 1.00 0.00 C ATOM 806 C PRO A 59 9.411 -8.078 6.910 1.00 0.00 C ATOM 807 O PRO A 59 9.149 -9.129 6.324 1.00 0.00 O ATOM 808 CB PRO A 59 10.619 -7.658 9.070 1.00 0.00 C ATOM 809 CG PRO A 59 11.166 -8.985 9.467 1.00 0.00 C ATOM 810 CD PRO A 59 9.977 -9.830 9.835 1.00 0.00 C ATOM 0 HA PRO A 59 8.514 -7.201 8.586 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.283 -7.149 8.371 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.503 -7.003 9.934 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.727 -9.436 8.649 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.852 -8.888 10.309 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.138 -10.879 9.588 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.765 -9.782 10.903 1.00 0.00 H new ATOM 818 N LEU A 60 9.829 -6.984 6.282 1.00 0.00 N ATOM 819 CA LEU A 60 10.008 -6.955 4.835 1.00 0.00 C ATOM 820 C LEU A 60 11.342 -6.313 4.465 1.00 0.00 C ATOM 821 O LEU A 60 11.593 -5.151 4.786 1.00 0.00 O ATOM 822 CB LEU A 60 8.860 -6.189 4.174 1.00 0.00 C ATOM 823 CG LEU A 60 7.796 -7.042 3.482 1.00 0.00 C ATOM 824 CD1 LEU A 60 6.671 -6.166 2.954 1.00 0.00 C ATOM 825 CD2 LEU A 60 8.415 -7.855 2.354 1.00 0.00 C ATOM 0 H LEU A 60 10.050 -6.106 6.752 1.00 0.00 H new ATOM 0 HA LEU A 60 10.007 -7.983 4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.371 -5.580 4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.282 -5.504 3.439 1.00 0.00 H new ATOM 0 HG LEU A 60 7.378 -7.733 4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.923 -6.790 2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.209 -5.628 3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.073 -5.451 2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.643 -8.456 1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.860 -7.181 1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.186 -8.511 2.759 1.00 0.00 H new ATOM 837 N ASP A 61 12.191 -7.076 3.786 1.00 0.00 N ATOM 838 CA ASP A 61 13.498 -6.581 3.369 1.00 0.00 C ATOM 839 C ASP A 61 13.361 -5.282 2.582 1.00 0.00 C ATOM 840 O ASP A 61 14.267 -4.448 2.576 1.00 0.00 O ATOM 841 CB ASP A 61 14.218 -7.632 2.522 1.00 0.00 C ATOM 842 CG ASP A 61 15.694 -7.731 2.854 1.00 0.00 C ATOM 843 OD1 ASP A 61 16.415 -6.730 2.658 1.00 0.00 O ATOM 844 OD2 ASP A 61 16.129 -8.809 3.310 1.00 0.00 O ATOM 0 H ASP A 61 11.998 -8.040 3.513 1.00 0.00 H new ATOM 0 HA ASP A 61 14.087 -6.382 4.264 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.748 -8.603 2.676 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.102 -7.386 1.467 1.00 0.00 H new ATOM 849 N LYS A 62 12.222 -5.116 1.918 1.00 0.00 N ATOM 850 CA LYS A 62 11.965 -3.918 1.127 1.00 0.00 C ATOM 851 C LYS A 62 10.481 -3.792 0.797 1.00 0.00 C ATOM 852 O LYS A 62 9.657 -4.559 1.295 1.00 0.00 O ATOM 853 CB LYS A 62 12.785 -3.949 -0.165 1.00 0.00 C ATOM 854 CG LYS A 62 12.450 -5.122 -1.070 1.00 0.00 C ATOM 855 CD LYS A 62 12.600 -4.756 -2.537 1.00 0.00 C ATOM 856 CE LYS A 62 12.015 -5.829 -3.442 1.00 0.00 C ATOM 857 NZ LYS A 62 12.476 -5.678 -4.850 1.00 0.00 N ATOM 0 H LYS A 62 11.462 -5.796 1.912 1.00 0.00 H new ATOM 0 HA LYS A 62 12.263 -3.052 1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.621 -3.021 -0.712 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.845 -3.987 0.088 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.104 -5.962 -0.835 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.428 -5.450 -0.879 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.102 -3.806 -2.729 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.655 -4.616 -2.772 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.300 -6.813 -3.070 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.927 -5.779 -3.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.056 -6.428 -5.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.182 -4.749 -5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.513 -5.751 -4.886 1.00 0.00 H new ATOM 871 N VAL A 63 10.147 -2.821 -0.047 1.00 0.00 N ATOM 872 CA VAL A 63 8.763 -2.597 -0.445 1.00 0.00 C ATOM 873 C VAL A 63 8.343 -3.567 -1.544 1.00 0.00 C ATOM 874 O VAL A 63 9.061 -3.789 -2.519 1.00 0.00 O ATOM 875 CB VAL A 63 8.548 -1.154 -0.940 1.00 0.00 C ATOM 876 CG1 VAL A 63 7.093 -0.933 -1.327 1.00 0.00 C ATOM 877 CG2 VAL A 63 8.983 -0.156 0.122 1.00 0.00 C ATOM 0 H VAL A 63 10.816 -2.177 -0.468 1.00 0.00 H new ATOM 0 HA VAL A 63 8.148 -2.766 0.439 1.00 0.00 H new ATOM 0 HB VAL A 63 9.163 -0.997 -1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.960 0.092 -1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.819 -1.624 -2.124 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.455 -1.108 -0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.824 0.858 -0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.397 -0.310 1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.040 -0.300 0.345 1.00 0.00 H new ATOM 887 N PRO A 64 7.151 -4.161 -1.384 1.00 0.00 N ATOM 888 CA PRO A 64 6.607 -5.118 -2.353 1.00 0.00 C ATOM 889 C PRO A 64 6.209 -4.450 -3.666 1.00 0.00 C ATOM 890 O PRO A 64 6.423 -3.253 -3.853 1.00 0.00 O ATOM 891 CB PRO A 64 5.373 -5.679 -1.643 1.00 0.00 C ATOM 892 CG PRO A 64 4.968 -4.611 -0.686 1.00 0.00 C ATOM 893 CD PRO A 64 6.242 -3.945 -0.246 1.00 0.00 C ATOM 0 HA PRO A 64 7.338 -5.878 -2.630 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.575 -5.899 -2.352 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.604 -6.609 -1.124 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.297 -3.895 -1.161 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.433 -5.032 0.165 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.093 -2.884 -0.047 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.632 -4.389 0.670 1.00 0.00 H new ATOM 901 N GLU A 65 5.629 -5.233 -4.570 1.00 0.00 N ATOM 902 CA GLU A 65 5.201 -4.716 -5.865 1.00 0.00 C ATOM 903 C GLU A 65 4.194 -5.657 -6.521 1.00 0.00 C ATOM 904 O GLU A 65 4.067 -5.690 -7.744 1.00 0.00 O ATOM 905 CB GLU A 65 6.409 -4.522 -6.785 1.00 0.00 C ATOM 906 CG GLU A 65 6.223 -3.413 -7.806 1.00 0.00 C ATOM 907 CD GLU A 65 7.063 -3.620 -9.052 1.00 0.00 C ATOM 908 OE1 GLU A 65 8.306 -3.628 -8.936 1.00 0.00 O ATOM 909 OE2 GLU A 65 6.475 -3.774 -10.143 1.00 0.00 O ATOM 0 H GLU A 65 5.445 -6.226 -4.430 1.00 0.00 H new ATOM 0 HA GLU A 65 4.718 -3.752 -5.702 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.287 -4.302 -6.177 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.610 -5.457 -7.309 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.171 -3.355 -8.087 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.484 -2.458 -7.351 1.00 0.00 H new ATOM 916 N GLU A 66 3.482 -6.419 -5.697 1.00 0.00 N ATOM 917 CA GLU A 66 2.487 -7.361 -6.197 1.00 0.00 C ATOM 918 C GLU A 66 1.180 -6.646 -6.529 1.00 0.00 C ATOM 919 O GLU A 66 1.107 -5.419 -6.498 1.00 0.00 O ATOM 920 CB GLU A 66 2.231 -8.462 -5.166 1.00 0.00 C ATOM 921 CG GLU A 66 2.539 -9.859 -5.678 1.00 0.00 C ATOM 922 CD GLU A 66 1.397 -10.829 -5.449 1.00 0.00 C ATOM 923 OE1 GLU A 66 0.297 -10.589 -5.987 1.00 0.00 O ATOM 924 OE2 GLU A 66 1.604 -11.830 -4.731 1.00 0.00 O ATOM 0 H GLU A 66 3.575 -6.403 -4.681 1.00 0.00 H new ATOM 0 HA GLU A 66 2.877 -7.812 -7.110 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.836 -8.267 -4.281 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.187 -8.420 -4.854 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.761 -9.810 -6.744 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.434 -10.234 -5.183 1.00 0.00 H new ATOM 931 N GLU A 67 0.152 -7.426 -6.849 1.00 0.00 N ATOM 932 CA GLU A 67 -1.152 -6.867 -7.189 1.00 0.00 C ATOM 933 C GLU A 67 -1.627 -5.899 -6.109 1.00 0.00 C ATOM 934 O GLU A 67 -2.119 -4.811 -6.409 1.00 0.00 O ATOM 935 CB GLU A 67 -2.179 -7.987 -7.373 1.00 0.00 C ATOM 936 CG GLU A 67 -3.294 -7.635 -8.343 1.00 0.00 C ATOM 937 CD GLU A 67 -3.986 -8.862 -8.906 1.00 0.00 C ATOM 938 OE1 GLU A 67 -3.290 -9.724 -9.481 1.00 0.00 O ATOM 939 OE2 GLU A 67 -5.224 -8.959 -8.770 1.00 0.00 O ATOM 0 H GLU A 67 0.196 -8.445 -6.880 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.051 -6.318 -8.126 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.669 -8.882 -7.728 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.615 -8.232 -6.404 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.028 -7.009 -7.835 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.885 -7.045 -9.163 1.00 0.00 H new ATOM 946 N TYR A 68 -1.478 -6.304 -4.853 1.00 0.00 N ATOM 947 CA TYR A 68 -1.895 -5.475 -3.728 1.00 0.00 C ATOM 948 C TYR A 68 -1.182 -5.896 -2.447 1.00 0.00 C ATOM 949 O TYR A 68 -0.552 -6.953 -2.393 1.00 0.00 O ATOM 950 CB TYR A 68 -3.409 -5.564 -3.535 1.00 0.00 C ATOM 951 CG TYR A 68 -3.947 -6.975 -3.606 1.00 0.00 C ATOM 952 CD1 TYR A 68 -3.776 -7.859 -2.547 1.00 0.00 C ATOM 953 CD2 TYR A 68 -4.627 -7.425 -4.731 1.00 0.00 C ATOM 954 CE1 TYR A 68 -4.265 -9.149 -2.608 1.00 0.00 C ATOM 955 CE2 TYR A 68 -5.120 -8.714 -4.800 1.00 0.00 C ATOM 956 CZ TYR A 68 -4.936 -9.572 -3.737 1.00 0.00 C ATOM 957 OH TYR A 68 -5.426 -10.856 -3.801 1.00 0.00 O ATOM 0 H TYR A 68 -1.072 -7.201 -4.588 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.624 -4.443 -3.951 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.669 -5.133 -2.568 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.900 -4.958 -4.297 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.252 -7.531 -1.661 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.773 -6.756 -5.566 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -4.123 -9.823 -1.776 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.647 -9.047 -5.682 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.873 -10.993 -4.662 1.00 0.00 H new ATOM 967 N TRP A 69 -1.287 -5.064 -1.418 1.00 0.00 N ATOM 968 CA TRP A 69 -0.654 -5.349 -0.135 1.00 0.00 C ATOM 969 C TRP A 69 -1.646 -5.187 1.010 1.00 0.00 C ATOM 970 O TRP A 69 -2.268 -4.136 1.161 1.00 0.00 O ATOM 971 CB TRP A 69 0.547 -4.427 0.080 1.00 0.00 C ATOM 972 CG TRP A 69 1.245 -4.656 1.386 1.00 0.00 C ATOM 973 CD1 TRP A 69 2.340 -5.444 1.604 1.00 0.00 C ATOM 974 CD2 TRP A 69 0.895 -4.093 2.655 1.00 0.00 C ATOM 975 NE1 TRP A 69 2.691 -5.404 2.932 1.00 0.00 N ATOM 976 CE2 TRP A 69 1.821 -4.582 3.598 1.00 0.00 C ATOM 977 CE3 TRP A 69 -0.109 -3.222 3.086 1.00 0.00 C ATOM 978 CZ2 TRP A 69 1.769 -4.228 4.943 1.00 0.00 C ATOM 979 CZ3 TRP A 69 -0.159 -2.872 4.422 1.00 0.00 C ATOM 980 CH2 TRP A 69 0.775 -3.374 5.338 1.00 0.00 C ATOM 0 H TRP A 69 -1.805 -4.186 -1.446 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.311 -6.384 -0.149 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.257 -4.572 -0.734 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.214 -3.390 0.031 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.854 -6.014 0.844 1.00 0.00 H new ATOM 0 HE1 TRP A 69 3.473 -5.905 3.354 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -0.833 -2.829 2.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.488 -4.614 5.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.931 -2.200 4.766 1.00 0.00 H new ATOM 0 HH2 TRP A 69 0.709 -3.081 6.376 1.00 0.00 H new ATOM 991 N TYR A 70 -1.790 -6.234 1.815 1.00 0.00 N ATOM 992 CA TYR A 70 -2.710 -6.208 2.947 1.00 0.00 C ATOM 993 C TYR A 70 -1.961 -6.404 4.261 1.00 0.00 C ATOM 994 O TYR A 70 -1.177 -7.341 4.409 1.00 0.00 O ATOM 995 CB TYR A 70 -3.777 -7.292 2.788 1.00 0.00 C ATOM 996 CG TYR A 70 -4.877 -6.921 1.819 1.00 0.00 C ATOM 997 CD1 TYR A 70 -4.595 -6.659 0.484 1.00 0.00 C ATOM 998 CD2 TYR A 70 -6.199 -6.832 2.239 1.00 0.00 C ATOM 999 CE1 TYR A 70 -5.596 -6.319 -0.405 1.00 0.00 C ATOM 1000 CE2 TYR A 70 -7.207 -6.494 1.357 1.00 0.00 C ATOM 1001 CZ TYR A 70 -6.901 -6.239 0.036 1.00 0.00 C ATOM 1002 OH TYR A 70 -7.902 -5.901 -0.845 1.00 0.00 O ATOM 0 H TYR A 70 -1.282 -7.111 1.705 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.194 -5.232 2.968 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.301 -8.212 2.449 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.218 -7.502 3.762 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.575 -6.722 0.135 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.442 -7.030 3.272 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.359 -6.117 -1.439 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.229 -6.430 1.700 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.762 -5.890 -0.375 1.00 0.00 H new ATOM 1012 N CYS A 71 -2.210 -5.513 5.215 1.00 0.00 N ATOM 1013 CA CYS A 71 -1.562 -5.585 6.519 1.00 0.00 C ATOM 1014 C CYS A 71 -1.711 -6.978 7.124 1.00 0.00 C ATOM 1015 O CYS A 71 -2.638 -7.724 6.806 1.00 0.00 O ATOM 1016 CB CYS A 71 -2.155 -4.539 7.465 1.00 0.00 C ATOM 1017 SG CYS A 71 -3.806 -4.967 8.106 1.00 0.00 S ATOM 0 H CYS A 71 -2.857 -4.732 5.109 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.500 -5.380 6.382 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -1.476 -4.399 8.306 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.216 -3.585 6.942 1.00 0.00 H new ATOM 0 HG CYS A 71 -4.582 -3.927 8.035 1.00 0.00 H new ATOM 1022 N PRO A 72 -0.778 -7.338 8.017 1.00 0.00 N ATOM 1023 CA PRO A 72 -0.784 -8.642 8.687 1.00 0.00 C ATOM 1024 C PRO A 72 -1.931 -8.777 9.683 1.00 0.00 C ATOM 1025 O PRO A 72 -2.181 -9.859 10.213 1.00 0.00 O ATOM 1026 CB PRO A 72 0.562 -8.674 9.414 1.00 0.00 C ATOM 1027 CG PRO A 72 0.912 -7.242 9.627 1.00 0.00 C ATOM 1028 CD PRO A 72 0.355 -6.499 8.444 1.00 0.00 C ATOM 0 HA PRO A 72 -0.922 -9.462 7.982 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.488 -9.208 10.361 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.321 -9.183 8.820 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.484 -6.870 10.558 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.992 -7.110 9.697 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.031 -5.495 8.717 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.096 -6.391 7.652 1.00 0.00 H new ATOM 1036 N SER A 73 -2.625 -7.671 9.933 1.00 0.00 N ATOM 1037 CA SER A 73 -3.743 -7.665 10.869 1.00 0.00 C ATOM 1038 C SER A 73 -5.045 -8.026 10.160 1.00 0.00 C ATOM 1039 O SER A 73 -6.039 -8.370 10.801 1.00 0.00 O ATOM 1040 CB SER A 73 -3.874 -6.293 11.532 1.00 0.00 C ATOM 1041 OG SER A 73 -3.681 -6.384 12.933 1.00 0.00 O ATOM 0 H SER A 73 -2.433 -6.768 9.500 1.00 0.00 H new ATOM 0 HA SER A 73 -3.547 -8.414 11.637 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.142 -5.608 11.105 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.860 -5.877 11.324 1.00 0.00 H new ATOM 0 HG SER A 73 -3.768 -5.494 13.334 1.00 0.00 H new ATOM 1047 N CYS A 74 -5.033 -7.945 8.834 1.00 0.00 N ATOM 1048 CA CYS A 74 -6.211 -8.262 8.037 1.00 0.00 C ATOM 1049 C CYS A 74 -6.073 -9.635 7.385 1.00 0.00 C ATOM 1050 O CYS A 74 -6.956 -10.485 7.508 1.00 0.00 O ATOM 1051 CB CYS A 74 -6.428 -7.194 6.963 1.00 0.00 C ATOM 1052 SG CYS A 74 -7.321 -5.719 7.550 1.00 0.00 S ATOM 0 H CYS A 74 -4.219 -7.662 8.288 1.00 0.00 H new ATOM 0 HA CYS A 74 -7.075 -8.280 8.701 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -5.459 -6.886 6.571 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -6.982 -7.635 6.134 1.00 0.00 H new ATOM 0 HG CYS A 74 -6.483 -4.737 7.704 1.00 0.00 H new ATOM 1057 N LYS A 75 -4.960 -9.845 6.690 1.00 0.00 N ATOM 1058 CA LYS A 75 -4.704 -11.114 6.019 1.00 0.00 C ATOM 1059 C LYS A 75 -4.887 -12.284 6.981 1.00 0.00 C ATOM 1060 O LYS A 75 -4.083 -12.484 7.892 1.00 0.00 O ATOM 1061 CB LYS A 75 -3.288 -11.131 5.440 1.00 0.00 C ATOM 1062 CG LYS A 75 -2.865 -12.490 4.909 1.00 0.00 C ATOM 1063 CD LYS A 75 -1.691 -12.373 3.951 1.00 0.00 C ATOM 1064 CE LYS A 75 -1.695 -13.495 2.924 1.00 0.00 C ATOM 1065 NZ LYS A 75 -0.531 -14.407 3.094 1.00 0.00 N ATOM 0 H LYS A 75 -4.220 -9.152 6.577 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.423 -11.219 5.206 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.225 -10.400 4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.585 -10.817 6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.593 -13.139 5.742 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.706 -12.961 4.400 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.731 -11.411 3.440 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.758 -12.396 4.513 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.619 -14.066 3.013 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.679 -13.069 1.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.570 -15.158 2.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.351 -13.868 2.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.560 -14.834 4.042 1.00 0.00 H new