USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 408 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 14 CYS SG : rot -96:sc= -15.8! USER MOD Set 1.2: A 64 CYS SG : rot -32:sc= -19.7! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -15:sc= -0.485 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 150:sc= -0.833 USER MOD Single : A 32 TYR OH : rot 108:sc= 1.06 USER MOD Single : A 33 ASN : amide:sc= -1.16! C(o=-1.2!,f=-8!) USER MOD Single : A 34 ASN : amide:sc= -1.49 K(o=-1.5,f=-4.3!) USER MOD Single : A 35 GLN : amide:sc= -0.0158 X(o=-0.016,f=-0.0022) USER MOD Single : A 36 THR OG1 : rot -86:sc= 0.579 USER MOD Single : A 37 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.19) USER MOD Single : A 38 GLN : amide:sc= -1.23! K(o=-1.2!,f=-2.1) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -10! C(o=-10!,f=-16!) USER MOD Single : A 51 MET CE :methyl 175:sc= -5.88! (180deg=-6.43!) USER MOD Single : A 52 ASN : amide:sc= -1.1! C(o=-1.1!,f=-11!) USER MOD Single : A 53 ASN : amide:sc= -4.19! C(o=-4.2!,f=-6.4!) USER MOD Single : A 56 THR OG1 : rot -172:sc= -1.94 USER MOD Single : A 61 LYS NZ :NH3+ 172:sc= 0.0817 (180deg=-0.0649) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 145 N LYS A 10 15.500 8.891 -5.973 1.00 1.00 N ATOM 146 CA LYS A 10 14.225 9.586 -6.028 1.00 1.00 C ATOM 147 C LYS A 10 13.668 9.733 -4.610 1.00 1.00 C ATOM 148 O LYS A 10 13.782 8.776 -3.830 1.00 1.00 O ATOM 149 CB LYS A 10 13.271 8.880 -6.993 1.00 1.00 C ATOM 150 CG LYS A 10 13.057 9.711 -8.259 1.00 1.00 C ATOM 151 CD LYS A 10 11.651 10.315 -8.287 1.00 1.00 C ATOM 152 CE LYS A 10 10.976 10.070 -9.638 1.00 1.00 C ATOM 153 NZ LYS A 10 10.420 8.708 -9.696 1.00 1.00 N ATOM 0 HA LYS A 10 14.356 10.592 -6.426 1.00 1.00 H new ATOM 0 HB2 LYS A 10 13.674 7.903 -7.259 1.00 1.00 H new ATOM 0 HB3 LYS A 10 12.314 8.706 -6.502 1.00 1.00 H new ATOM 0 HG2 LYS A 10 13.800 10.507 -8.306 1.00 1.00 H new ATOM 0 HG3 LYS A 10 13.205 9.085 -9.139 1.00 1.00 H new ATOM 0 HD2 LYS A 10 11.048 9.879 -7.491 1.00 1.00 H new ATOM 0 HD3 LYS A 10 11.708 11.386 -8.094 1.00 1.00 H new ATOM 0 HE2 LYS A 10 10.182 10.800 -9.792 1.00 1.00 H new ATOM 0 HE3 LYS A 10 11.698 10.209 -10.443 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 9.965 8.558 -10.619 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 11.185 8.015 -9.570 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 9.716 8.588 -8.940 1.00 1.00 H new ATOM 167 N PRO A 11 13.086 10.908 -4.311 1.00 1.00 N ATOM 168 CA PRO A 11 12.509 11.209 -3.012 1.00 1.00 C ATOM 169 C PRO A 11 11.258 10.364 -2.759 1.00 1.00 C ATOM 170 O PRO A 11 10.217 10.655 -3.366 1.00 1.00 O ATOM 171 CB PRO A 11 12.221 12.701 -3.045 1.00 1.00 C ATOM 172 CG PRO A 11 12.214 13.091 -4.514 1.00 1.00 C ATOM 173 CD PRO A 11 12.831 11.948 -5.303 1.00 1.00 C ATOM 0 HA PRO A 11 13.179 10.965 -2.187 1.00 1.00 H new ATOM 0 HB2 PRO A 11 11.262 12.924 -2.577 1.00 1.00 H new ATOM 0 HB3 PRO A 11 12.981 13.258 -2.497 1.00 1.00 H new ATOM 0 HG2 PRO A 11 11.196 13.283 -4.853 1.00 1.00 H new ATOM 0 HG3 PRO A 11 12.780 14.010 -4.668 1.00 1.00 H new ATOM 0 HD2 PRO A 11 12.156 11.595 -6.082 1.00 1.00 H new ATOM 0 HD3 PRO A 11 13.752 12.259 -5.796 1.00 1.00 H new ATOM 181 N ASP A 12 11.383 9.351 -1.883 1.00 1.00 N ATOM 182 CA ASP A 12 10.271 8.475 -1.555 1.00 1.00 C ATOM 183 C ASP A 12 9.158 9.295 -0.898 1.00 1.00 C ATOM 184 O ASP A 12 7.984 8.933 -1.063 1.00 1.00 O ATOM 185 CB ASP A 12 10.700 7.385 -0.571 1.00 1.00 C ATOM 186 CG ASP A 12 9.569 6.485 -0.070 1.00 1.00 C ATOM 187 OD1 ASP A 12 8.478 6.547 -0.756 1.00 1.00 O ATOM 188 OD2 ASP A 12 9.722 5.760 0.924 1.00 1.00 O ATOM 0 H ASP A 12 12.250 9.128 -1.394 1.00 1.00 H new ATOM 0 HA ASP A 12 9.924 8.011 -2.478 1.00 1.00 H new ATOM 0 HB2 ASP A 12 11.455 6.762 -1.049 1.00 1.00 H new ATOM 0 HB3 ASP A 12 11.175 7.859 0.288 1.00 1.00 H new ATOM 193 N PHE A 13 9.542 10.363 -0.178 1.00 1.00 N ATOM 194 CA PHE A 13 8.584 11.223 0.495 1.00 1.00 C ATOM 195 C PHE A 13 7.552 11.722 -0.518 1.00 1.00 C ATOM 196 O PHE A 13 6.429 12.047 -0.106 1.00 1.00 O ATOM 197 CB PHE A 13 9.330 12.405 1.144 1.00 1.00 C ATOM 198 CG PHE A 13 9.837 13.452 0.161 1.00 1.00 C ATOM 199 CD1 PHE A 13 8.926 14.277 -0.539 1.00 1.00 C ATOM 200 CD2 PHE A 13 11.226 13.599 -0.063 1.00 1.00 C ATOM 201 CE1 PHE A 13 9.399 15.243 -1.452 1.00 1.00 C ATOM 202 CE2 PHE A 13 11.698 14.566 -0.977 1.00 1.00 C ATOM 203 CZ PHE A 13 10.786 15.387 -1.671 1.00 1.00 C ATOM 0 H PHE A 13 10.515 10.643 -0.054 1.00 1.00 H new ATOM 0 HA PHE A 13 8.064 10.668 1.276 1.00 1.00 H new ATOM 0 HB2 PHE A 13 8.665 12.889 1.859 1.00 1.00 H new ATOM 0 HB3 PHE A 13 10.177 12.016 1.710 1.00 1.00 H new ATOM 0 HD1 PHE A 13 7.864 14.167 -0.374 1.00 1.00 H new ATOM 0 HD2 PHE A 13 11.927 12.970 0.466 1.00 1.00 H new ATOM 0 HE1 PHE A 13 8.700 15.872 -1.983 1.00 1.00 H new ATOM 0 HE2 PHE A 13 12.759 14.677 -1.145 1.00 1.00 H new ATOM 0 HZ PHE A 13 11.149 16.126 -2.370 1.00 1.00 H new ATOM 213 N CYS A 14 7.947 11.773 -1.803 1.00 1.00 N ATOM 214 CA CYS A 14 7.063 12.228 -2.863 1.00 1.00 C ATOM 215 C CYS A 14 5.892 11.253 -2.999 1.00 1.00 C ATOM 216 O CYS A 14 4.757 11.716 -3.181 1.00 1.00 O ATOM 217 CB CYS A 14 7.822 12.396 -4.181 1.00 1.00 C ATOM 218 SG CYS A 14 8.831 13.903 -4.292 1.00 1.00 S ATOM 0 H CYS A 14 8.877 11.502 -2.121 1.00 1.00 H new ATOM 0 HA CYS A 14 6.667 13.210 -2.605 1.00 1.00 H new ATOM 0 HB2 CYS A 14 8.469 11.531 -4.324 1.00 1.00 H new ATOM 0 HB3 CYS A 14 7.103 12.396 -5.001 1.00 1.00 H new ATOM 0 HG CYS A 14 8.161 14.829 -4.912 1.00 1.00 H new ATOM 224 N PHE A 15 6.186 9.943 -2.909 1.00 1.00 N ATOM 225 CA PHE A 15 5.165 8.916 -3.021 1.00 1.00 C ATOM 226 C PHE A 15 4.468 8.745 -1.669 1.00 1.00 C ATOM 227 O PHE A 15 3.619 7.850 -1.552 1.00 1.00 O ATOM 228 CB PHE A 15 5.821 7.595 -3.468 1.00 1.00 C ATOM 229 CG PHE A 15 6.969 7.759 -4.455 1.00 1.00 C ATOM 230 CD1 PHE A 15 6.745 8.347 -5.721 1.00 1.00 C ATOM 231 CD2 PHE A 15 8.267 7.315 -4.110 1.00 1.00 C ATOM 232 CE1 PHE A 15 7.811 8.493 -6.634 1.00 1.00 C ATOM 233 CE2 PHE A 15 9.333 7.462 -5.024 1.00 1.00 C ATOM 234 CZ PHE A 15 9.105 8.051 -6.286 1.00 1.00 C ATOM 0 H PHE A 15 7.128 9.582 -2.759 1.00 1.00 H new ATOM 0 HA PHE A 15 4.420 9.206 -3.762 1.00 1.00 H new ATOM 0 HB2 PHE A 15 6.190 7.071 -2.586 1.00 1.00 H new ATOM 0 HB3 PHE A 15 5.058 6.961 -3.920 1.00 1.00 H new ATOM 0 HD1 PHE A 15 5.755 8.685 -5.990 1.00 1.00 H new ATOM 0 HD2 PHE A 15 8.443 6.863 -3.145 1.00 1.00 H new ATOM 0 HE1 PHE A 15 7.636 8.943 -7.600 1.00 1.00 H new ATOM 0 HE2 PHE A 15 10.323 7.124 -4.757 1.00 1.00 H new ATOM 0 HZ PHE A 15 9.921 8.163 -6.985 1.00 1.00 H new ATOM 244 N LEU A 16 4.834 9.594 -0.692 1.00 1.00 N ATOM 245 CA LEU A 16 4.248 9.537 0.637 1.00 1.00 C ATOM 246 C LEU A 16 2.876 10.214 0.613 1.00 1.00 C ATOM 247 O LEU A 16 2.809 11.400 0.259 1.00 1.00 O ATOM 248 CB LEU A 16 5.208 10.129 1.671 1.00 1.00 C ATOM 249 CG LEU A 16 5.073 9.590 3.097 1.00 1.00 C ATOM 250 CD1 LEU A 16 4.351 10.595 3.996 1.00 1.00 C ATOM 251 CD2 LEU A 16 4.390 8.222 3.103 1.00 1.00 C ATOM 0 H LEU A 16 5.535 10.325 -0.810 1.00 1.00 H new ATOM 0 HA LEU A 16 4.088 8.502 0.940 1.00 1.00 H new ATOM 0 HB2 LEU A 16 6.229 9.953 1.332 1.00 1.00 H new ATOM 0 HB3 LEU A 16 5.062 11.209 1.697 1.00 1.00 H new ATOM 0 HG LEU A 16 6.074 9.452 3.507 1.00 1.00 H new ATOM 0 HD11 LEU A 16 4.268 10.188 5.004 1.00 1.00 H new ATOM 0 HD12 LEU A 16 4.915 11.527 4.027 1.00 1.00 H new ATOM 0 HD13 LEU A 16 3.354 10.787 3.599 1.00 1.00 H new ATOM 0 HD21 LEU A 16 4.306 7.862 4.128 1.00 1.00 H new ATOM 0 HD22 LEU A 16 3.395 8.310 2.667 1.00 1.00 H new ATOM 0 HD23 LEU A 16 4.981 7.518 2.518 1.00 1.00 H new ATOM 263 N GLU A 17 1.827 9.459 0.985 1.00 1.00 N ATOM 264 CA GLU A 17 0.471 9.982 1.007 1.00 1.00 C ATOM 265 C GLU A 17 0.491 11.414 1.546 1.00 1.00 C ATOM 266 O GLU A 17 1.393 11.736 2.333 1.00 1.00 O ATOM 267 CB GLU A 17 -0.460 9.096 1.837 1.00 1.00 C ATOM 268 CG GLU A 17 -1.192 8.087 0.950 1.00 1.00 C ATOM 269 CD GLU A 17 -2.653 7.941 1.378 1.00 1.00 C ATOM 270 OE1 GLU A 17 -3.208 9.024 1.804 1.00 1.00 O ATOM 271 OE2 GLU A 17 -3.214 6.838 1.300 1.00 1.00 O ATOM 0 H GLU A 17 1.904 8.484 1.273 1.00 1.00 H new ATOM 0 HA GLU A 17 0.081 9.986 -0.011 1.00 1.00 H new ATOM 0 HB2 GLU A 17 0.117 8.567 2.596 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -1.185 9.717 2.363 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -1.144 8.410 -0.090 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -0.694 7.119 1.007 1.00 1.00 H new ATOM 278 N GLU A 18 -0.489 12.231 1.119 1.00 1.00 N ATOM 279 CA GLU A 18 -0.583 13.614 1.556 1.00 1.00 C ATOM 280 C GLU A 18 -0.885 13.651 3.055 1.00 1.00 C ATOM 281 O GLU A 18 -1.703 12.840 3.512 1.00 1.00 O ATOM 282 CB GLU A 18 -1.643 14.382 0.764 1.00 1.00 C ATOM 283 CG GLU A 18 -3.018 14.257 1.423 1.00 1.00 C ATOM 284 CD GLU A 18 -4.135 14.343 0.381 1.00 1.00 C ATOM 285 OE1 GLU A 18 -3.928 14.904 -0.706 1.00 1.00 O ATOM 286 OE2 GLU A 18 -5.251 13.800 0.732 1.00 1.00 O ATOM 0 H GLU A 18 -1.223 11.946 0.471 1.00 1.00 H new ATOM 0 HA GLU A 18 0.372 14.106 1.369 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -1.362 15.433 0.698 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -1.688 13.999 -0.256 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -3.085 13.308 1.956 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -3.144 15.048 2.163 1.00 1.00 H new ATOM 293 N ASP A 19 -0.230 14.576 3.779 1.00 1.00 N ATOM 294 CA ASP A 19 -0.427 14.715 5.212 1.00 1.00 C ATOM 295 C ASP A 19 -0.618 16.194 5.555 1.00 1.00 C ATOM 296 O ASP A 19 0.390 16.905 5.682 1.00 1.00 O ATOM 297 CB ASP A 19 0.788 14.203 5.987 1.00 1.00 C ATOM 298 CG ASP A 19 0.523 13.869 7.457 1.00 1.00 C ATOM 299 OD1 ASP A 19 -0.717 13.903 7.809 1.00 1.00 O ATOM 300 OD2 ASP A 19 1.455 13.590 8.226 1.00 1.00 O ATOM 0 H ASP A 19 0.440 15.235 3.383 1.00 1.00 H new ATOM 0 HA ASP A 19 -1.304 14.131 5.490 1.00 1.00 H new ATOM 0 HB2 ASP A 19 1.168 13.310 5.490 1.00 1.00 H new ATOM 0 HB3 ASP A 19 1.575 14.955 5.937 1.00 1.00 H new ATOM 305 N PRO A 20 -1.886 16.621 5.696 1.00 1.00 N ATOM 306 CA PRO A 20 -2.239 17.992 6.021 1.00 1.00 C ATOM 307 C PRO A 20 -1.927 18.306 7.485 1.00 1.00 C ATOM 308 O PRO A 20 -1.854 19.495 7.830 1.00 1.00 O ATOM 309 CB PRO A 20 -3.719 18.106 5.691 1.00 1.00 C ATOM 310 CG PRO A 20 -4.244 16.680 5.636 1.00 1.00 C ATOM 311 CD PRO A 20 -3.048 15.744 5.579 1.00 1.00 C ATOM 0 HA PRO A 20 -1.661 18.721 5.454 1.00 1.00 H new ATOM 0 HB2 PRO A 20 -4.245 18.687 6.449 1.00 1.00 H new ATOM 0 HB3 PRO A 20 -3.869 18.615 4.739 1.00 1.00 H new ATOM 0 HG2 PRO A 20 -4.856 16.465 6.512 1.00 1.00 H new ATOM 0 HG3 PRO A 20 -4.880 16.541 4.761 1.00 1.00 H new ATOM 0 HD2 PRO A 20 -3.077 15.015 6.388 1.00 1.00 H new ATOM 0 HD3 PRO A 20 -3.028 15.183 4.645 1.00 1.00 H new ATOM 319 N GLY A 21 -1.754 17.253 8.304 1.00 1.00 N ATOM 320 CA GLY A 21 -1.453 17.417 9.716 1.00 1.00 C ATOM 321 C GLY A 21 -2.642 16.928 10.546 1.00 1.00 C ATOM 322 O GLY A 21 -3.304 15.971 10.120 1.00 1.00 O ATOM 0 H GLY A 21 -1.820 16.282 8.000 1.00 1.00 H new ATOM 0 HA2 GLY A 21 -0.557 16.854 9.976 1.00 1.00 H new ATOM 0 HA3 GLY A 21 -1.247 18.464 9.937 1.00 1.00 H new ATOM 326 N ILE A 22 -2.885 17.585 11.694 1.00 1.00 N ATOM 327 CA ILE A 22 -3.983 17.220 12.572 1.00 1.00 C ATOM 328 C ILE A 22 -5.037 18.329 12.552 1.00 1.00 C ATOM 329 O ILE A 22 -6.234 18.006 12.581 1.00 1.00 O ATOM 330 CB ILE A 22 -3.463 16.892 13.973 1.00 1.00 C ATOM 331 CG1 ILE A 22 -2.062 16.280 13.909 1.00 1.00 C ATOM 332 CG2 ILE A 22 -4.446 15.995 14.728 1.00 1.00 C ATOM 333 CD1 ILE A 22 -1.763 15.463 15.167 1.00 1.00 C ATOM 0 H ILE A 22 -2.327 18.372 12.026 1.00 1.00 H new ATOM 0 HA ILE A 22 -4.469 16.311 12.216 1.00 1.00 H new ATOM 0 HB ILE A 22 -3.382 17.824 14.533 1.00 1.00 H new ATOM 0 HG12 ILE A 22 -1.980 15.642 13.029 1.00 1.00 H new ATOM 0 HG13 ILE A 22 -1.320 17.071 13.800 1.00 1.00 H new ATOM 0 HG21 ILE A 22 -4.051 15.777 15.721 1.00 1.00 H new ATOM 0 HG22 ILE A 22 -5.405 16.505 14.822 1.00 1.00 H new ATOM 0 HG23 ILE A 22 -4.583 15.063 14.180 1.00 1.00 H new ATOM 0 HD11 ILE A 22 -0.761 15.039 15.096 1.00 1.00 H new ATOM 0 HD12 ILE A 22 -1.822 16.109 16.043 1.00 1.00 H new ATOM 0 HD13 ILE A 22 -2.492 14.658 15.260 1.00 1.00 H new ATOM 345 N CYS A 23 -4.580 19.593 12.502 1.00 1.00 N ATOM 346 CA CYS A 23 -5.478 20.736 12.477 1.00 1.00 C ATOM 347 C CYS A 23 -6.360 20.659 11.230 1.00 1.00 C ATOM 348 O CYS A 23 -7.077 19.659 11.075 1.00 1.00 O ATOM 349 CB CYS A 23 -4.699 22.051 12.545 1.00 1.00 C ATOM 350 SG CYS A 23 -3.676 22.255 14.033 1.00 1.00 S ATOM 0 H CYS A 23 -3.590 19.837 12.478 1.00 1.00 H new ATOM 0 HA CYS A 23 -6.120 20.709 13.357 1.00 1.00 H new ATOM 0 HB2 CYS A 23 -4.057 22.122 11.667 1.00 1.00 H new ATOM 0 HB3 CYS A 23 -5.406 22.879 12.491 1.00 1.00 H new ATOM 0 HG CYS A 23 -3.061 23.399 13.983 1.00 1.00 H new ATOM 356 N ARG A 24 -6.292 21.698 10.379 1.00 1.00 N ATOM 357 CA ARG A 24 -7.079 21.747 9.158 1.00 1.00 C ATOM 358 C ARG A 24 -6.545 22.861 8.256 1.00 1.00 C ATOM 359 O ARG A 24 -6.232 22.576 7.091 1.00 1.00 O ATOM 360 CB ARG A 24 -8.559 22.003 9.452 1.00 1.00 C ATOM 361 CG ARG A 24 -9.444 21.448 8.334 1.00 1.00 C ATOM 362 CD ARG A 24 -10.799 20.997 8.881 1.00 1.00 C ATOM 363 NE ARG A 24 -11.892 21.568 8.062 1.00 1.00 N ATOM 364 CZ ARG A 24 -12.277 22.861 8.111 1.00 1.00 C ATOM 365 NH1 ARG A 24 -11.645 23.696 8.946 1.00 1.00 N ATOM 366 NH2 ARG A 24 -13.277 23.302 7.336 1.00 1.00 N ATOM 0 H ARG A 24 -5.695 22.512 10.525 1.00 1.00 H new ATOM 0 HA ARG A 24 -6.993 20.780 8.662 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -8.831 21.539 10.400 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -8.732 23.074 9.560 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -9.592 22.211 7.570 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -8.944 20.607 7.853 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -10.859 19.909 8.874 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -10.906 21.316 9.918 1.00 1.00 H new ATOM 0 HE ARG A 24 -12.385 20.946 7.421 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -10.885 23.352 9.533 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -11.924 24.676 8.995 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -13.753 22.659 6.703 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -13.562 24.280 7.379 1.00 1.00 H new ATOM 380 N GLY A 25 -6.452 24.086 8.802 1.00 1.00 N ATOM 381 CA GLY A 25 -5.960 25.229 8.052 1.00 1.00 C ATOM 382 C GLY A 25 -5.549 24.774 6.650 1.00 1.00 C ATOM 383 O GLY A 25 -4.429 24.264 6.501 1.00 1.00 O ATOM 0 H GLY A 25 -6.715 24.299 9.764 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -6.732 25.995 7.986 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -5.109 25.677 8.566 1.00 1.00 H new ATOM 387 N TYR A 26 -6.447 24.964 5.667 1.00 1.00 N ATOM 388 CA TYR A 26 -6.119 24.549 4.314 1.00 1.00 C ATOM 389 C TYR A 26 -5.357 25.674 3.611 1.00 1.00 C ATOM 390 O TYR A 26 -5.556 26.838 3.990 1.00 1.00 O ATOM 391 CB TYR A 26 -7.406 24.169 3.558 1.00 1.00 C ATOM 392 CG TYR A 26 -8.226 23.071 4.220 1.00 1.00 C ATOM 393 CD1 TYR A 26 -7.580 22.059 4.967 1.00 1.00 C ATOM 394 CD2 TYR A 26 -9.635 23.058 4.099 1.00 1.00 C ATOM 395 CE1 TYR A 26 -8.336 21.041 5.585 1.00 1.00 C ATOM 396 CE2 TYR A 26 -10.391 22.040 4.718 1.00 1.00 C ATOM 397 CZ TYR A 26 -9.742 21.030 5.461 1.00 1.00 C ATOM 398 OH TYR A 26 -10.470 20.041 6.060 1.00 1.00 O ATOM 0 H TYR A 26 -7.368 25.386 5.786 1.00 1.00 H new ATOM 0 HA TYR A 26 -5.478 23.668 4.336 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -8.028 25.058 3.456 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -7.140 23.849 2.551 1.00 1.00 H new ATOM 0 HD1 TYR A 26 -6.504 22.065 5.065 1.00 1.00 H new ATOM 0 HD2 TYR A 26 -10.134 23.829 3.531 1.00 1.00 H new ATOM 0 HE1 TYR A 26 -7.839 20.269 6.154 1.00 1.00 H new ATOM 0 HE2 TYR A 26 -11.467 22.033 4.623 1.00 1.00 H new ATOM 0 HH TYR A 26 -9.874 19.308 6.320 1.00 1.00 H new ATOM 408 N ILE A 27 -4.509 25.317 2.630 1.00 1.00 N ATOM 409 CA ILE A 27 -3.722 26.294 1.898 1.00 1.00 C ATOM 410 C ILE A 27 -3.613 25.862 0.434 1.00 1.00 C ATOM 411 O ILE A 27 -2.691 26.329 -0.251 1.00 1.00 O ATOM 412 CB ILE A 27 -2.369 26.510 2.578 1.00 1.00 C ATOM 413 CG1 ILE A 27 -2.516 26.524 4.101 1.00 1.00 C ATOM 414 CG2 ILE A 27 -1.689 27.778 2.057 1.00 1.00 C ATOM 415 CD1 ILE A 27 -1.148 26.504 4.785 1.00 1.00 C ATOM 0 H ILE A 27 -4.359 24.353 2.334 1.00 1.00 H new ATOM 0 HA ILE A 27 -4.216 27.265 1.908 1.00 1.00 H new ATOM 0 HB ILE A 27 -1.722 25.670 2.324 1.00 1.00 H new ATOM 0 HG12 ILE A 27 -3.067 27.413 4.408 1.00 1.00 H new ATOM 0 HG13 ILE A 27 -3.099 25.661 4.421 1.00 1.00 H new ATOM 0 HG21 ILE A 27 -0.729 27.908 2.557 1.00 1.00 H new ATOM 0 HG22 ILE A 27 -1.529 27.690 0.982 1.00 1.00 H new ATOM 0 HG23 ILE A 27 -2.323 28.641 2.260 1.00 1.00 H new ATOM 0 HD11 ILE A 27 -1.282 26.515 5.867 1.00 1.00 H new ATOM 0 HD12 ILE A 27 -0.609 25.602 4.495 1.00 1.00 H new ATOM 0 HD13 ILE A 27 -0.577 27.381 4.482 1.00 1.00 H new ATOM 427 N THR A 28 -4.540 24.993 -0.008 1.00 1.00 N ATOM 428 CA THR A 28 -4.546 24.506 -1.377 1.00 1.00 C ATOM 429 C THR A 28 -3.110 24.222 -1.820 1.00 1.00 C ATOM 430 O THR A 28 -2.648 24.868 -2.772 1.00 1.00 O ATOM 431 CB THR A 28 -5.263 25.531 -2.257 1.00 1.00 C ATOM 432 OG1 THR A 28 -6.627 25.444 -1.853 1.00 1.00 O ATOM 433 CG2 THR A 28 -5.285 25.123 -3.732 1.00 1.00 C ATOM 0 H THR A 28 -5.291 24.620 0.573 1.00 1.00 H new ATOM 0 HA THR A 28 -5.090 23.566 -1.465 1.00 1.00 H new ATOM 0 HB THR A 28 -4.775 26.500 -2.155 1.00 1.00 H new ATOM 0 HG1 THR A 28 -7.163 26.078 -2.373 1.00 1.00 H new ATOM 0 HG21 THR A 28 -5.805 25.885 -4.312 1.00 1.00 H new ATOM 0 HG22 THR A 28 -4.263 25.024 -4.097 1.00 1.00 H new ATOM 0 HG23 THR A 28 -5.802 24.169 -3.838 1.00 1.00 H new ATOM 441 N ARG A 29 -2.442 23.278 -1.132 1.00 1.00 N ATOM 442 CA ARG A 29 -1.072 22.916 -1.453 1.00 1.00 C ATOM 443 C ARG A 29 -1.077 21.781 -2.479 1.00 1.00 C ATOM 444 O ARG A 29 -2.168 21.377 -2.908 1.00 1.00 O ATOM 445 CB ARG A 29 -0.302 22.467 -0.210 1.00 1.00 C ATOM 446 CG ARG A 29 -0.040 23.647 0.728 1.00 1.00 C ATOM 447 CD ARG A 29 1.269 24.353 0.369 1.00 1.00 C ATOM 448 NE ARG A 29 2.133 24.457 1.566 1.00 1.00 N ATOM 449 CZ ARG A 29 2.030 25.436 2.491 1.00 1.00 C ATOM 450 NH1 ARG A 29 1.094 26.382 2.334 1.00 1.00 N ATOM 451 NH2 ARG A 29 2.851 25.461 3.549 1.00 1.00 N ATOM 0 H ARG A 29 -2.840 22.758 -0.350 1.00 1.00 H new ATOM 0 HA ARG A 29 -0.576 23.797 -1.860 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -0.869 21.699 0.316 1.00 1.00 H new ATOM 0 HB3 ARG A 29 0.645 22.017 -0.507 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -0.867 24.354 0.668 1.00 1.00 H new ATOM 0 HG3 ARG A 29 0.004 23.294 1.758 1.00 1.00 H new ATOM 0 HD2 ARG A 29 1.786 23.801 -0.416 1.00 1.00 H new ATOM 0 HD3 ARG A 29 1.059 25.347 -0.026 1.00 1.00 H new ATOM 0 HE ARG A 29 2.851 23.745 1.701 1.00 1.00 H new ATOM 0 HH11 ARG A 29 0.473 26.356 1.525 1.00 1.00 H new ATOM 0 HH12 ARG A 29 1.003 27.128 3.023 1.00 1.00 H new ATOM 0 HH21 ARG A 29 3.561 24.737 3.661 1.00 1.00 H new ATOM 0 HH22 ARG A 29 2.766 26.204 4.243 1.00 1.00 H new ATOM 465 N TYR A 30 0.123 21.296 -2.846 1.00 1.00 N ATOM 466 CA TYR A 30 0.187 20.220 -3.820 1.00 1.00 C ATOM 467 C TYR A 30 1.076 19.099 -3.278 1.00 1.00 C ATOM 468 O TYR A 30 1.932 19.392 -2.431 1.00 1.00 O ATOM 469 CB TYR A 30 0.706 20.763 -5.164 1.00 1.00 C ATOM 470 CG TYR A 30 -0.161 21.852 -5.782 1.00 1.00 C ATOM 471 CD1 TYR A 30 -0.281 23.113 -5.155 1.00 1.00 C ATOM 472 CD2 TYR A 30 -0.857 21.602 -6.987 1.00 1.00 C ATOM 473 CE1 TYR A 30 -1.088 24.118 -5.729 1.00 1.00 C ATOM 474 CE2 TYR A 30 -1.664 22.607 -7.562 1.00 1.00 C ATOM 475 CZ TYR A 30 -1.780 23.866 -6.935 1.00 1.00 C ATOM 476 OH TYR A 30 -2.562 24.836 -7.495 1.00 1.00 O ATOM 0 H TYR A 30 1.022 21.624 -2.493 1.00 1.00 H new ATOM 0 HA TYR A 30 -0.808 19.810 -3.993 1.00 1.00 H new ATOM 0 HB2 TYR A 30 1.712 21.156 -5.018 1.00 1.00 H new ATOM 0 HB3 TYR A 30 0.786 19.936 -5.869 1.00 1.00 H new ATOM 0 HD1 TYR A 30 0.247 23.308 -4.233 1.00 1.00 H new ATOM 0 HD2 TYR A 30 -0.771 20.639 -7.469 1.00 1.00 H new ATOM 0 HE1 TYR A 30 -1.177 25.080 -5.247 1.00 1.00 H new ATOM 0 HE2 TYR A 30 -2.193 22.412 -8.483 1.00 1.00 H new ATOM 0 HH TYR A 30 -2.573 24.726 -8.469 1.00 1.00 H new ATOM 486 N PHE A 31 0.857 17.861 -3.756 1.00 1.00 N ATOM 487 CA PHE A 31 1.630 16.715 -3.309 1.00 1.00 C ATOM 488 C PHE A 31 1.662 15.662 -4.419 1.00 1.00 C ATOM 489 O PHE A 31 0.698 15.595 -5.196 1.00 1.00 O ATOM 490 CB PHE A 31 0.992 16.141 -2.029 1.00 1.00 C ATOM 491 CG PHE A 31 -0.225 15.256 -2.268 1.00 1.00 C ATOM 492 CD1 PHE A 31 -1.446 15.829 -2.689 1.00 1.00 C ATOM 493 CD2 PHE A 31 -0.139 13.857 -2.077 1.00 1.00 C ATOM 494 CE1 PHE A 31 -2.574 15.011 -2.915 1.00 1.00 C ATOM 495 CE2 PHE A 31 -1.267 13.039 -2.303 1.00 1.00 C ATOM 496 CZ PHE A 31 -2.484 13.616 -2.722 1.00 1.00 C ATOM 0 H PHE A 31 0.146 17.640 -4.454 1.00 1.00 H new ATOM 0 HA PHE A 31 2.654 17.016 -3.085 1.00 1.00 H new ATOM 0 HB2 PHE A 31 1.744 15.564 -1.491 1.00 1.00 H new ATOM 0 HB3 PHE A 31 0.702 16.968 -1.381 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -1.516 16.896 -2.838 1.00 1.00 H new ATOM 0 HD2 PHE A 31 0.792 13.413 -1.757 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -3.506 15.453 -3.236 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -1.198 11.971 -2.155 1.00 1.00 H new ATOM 0 HZ PHE A 31 -3.347 12.990 -2.895 1.00 1.00 H new ATOM 506 N TYR A 32 2.750 14.874 -4.470 1.00 1.00 N ATOM 507 CA TYR A 32 2.844 13.857 -5.504 1.00 1.00 C ATOM 508 C TYR A 32 2.094 12.604 -5.049 1.00 1.00 C ATOM 509 O TYR A 32 2.592 11.924 -4.140 1.00 1.00 O ATOM 510 CB TYR A 32 4.323 13.560 -5.811 1.00 1.00 C ATOM 511 CG TYR A 32 4.556 12.773 -7.093 1.00 1.00 C ATOM 512 CD1 TYR A 32 4.506 11.360 -7.074 1.00 1.00 C ATOM 513 CD2 TYR A 32 4.817 13.445 -8.309 1.00 1.00 C ATOM 514 CE1 TYR A 32 4.718 10.625 -8.259 1.00 1.00 C ATOM 515 CE2 TYR A 32 5.029 12.711 -9.495 1.00 1.00 C ATOM 516 CZ TYR A 32 4.980 11.299 -9.471 1.00 1.00 C ATOM 517 OH TYR A 32 5.186 10.585 -10.617 1.00 1.00 O ATOM 0 H TYR A 32 3.542 14.924 -3.830 1.00 1.00 H new ATOM 0 HA TYR A 32 2.382 14.212 -6.425 1.00 1.00 H new ATOM 0 HB2 TYR A 32 4.864 14.504 -5.876 1.00 1.00 H new ATOM 0 HB3 TYR A 32 4.750 13.004 -4.976 1.00 1.00 H new ATOM 0 HD1 TYR A 32 4.305 10.841 -6.148 1.00 1.00 H new ATOM 0 HD2 TYR A 32 4.854 14.524 -8.330 1.00 1.00 H new ATOM 0 HE1 TYR A 32 4.680 9.546 -8.239 1.00 1.00 H new ATOM 0 HE2 TYR A 32 5.229 13.229 -10.422 1.00 1.00 H new ATOM 0 HH TYR A 32 4.409 10.682 -11.207 1.00 1.00 H new ATOM 527 N ASN A 33 0.931 12.330 -5.668 1.00 1.00 N ATOM 528 CA ASN A 33 0.124 11.175 -5.316 1.00 1.00 C ATOM 529 C ASN A 33 0.426 10.032 -6.288 1.00 1.00 C ATOM 530 O ASN A 33 0.405 10.271 -7.504 1.00 1.00 O ATOM 531 CB ASN A 33 -1.368 11.495 -5.411 1.00 1.00 C ATOM 532 CG ASN A 33 -2.207 10.410 -4.733 1.00 1.00 C ATOM 533 OD1 ASN A 33 -1.721 9.354 -4.364 1.00 1.00 O ATOM 534 ND2 ASN A 33 -3.490 10.728 -4.590 1.00 1.00 N ATOM 0 H ASN A 33 0.539 12.902 -6.415 1.00 1.00 H new ATOM 0 HA ASN A 33 0.367 10.894 -4.291 1.00 1.00 H new ATOM 0 HB2 ASN A 33 -1.567 12.459 -4.943 1.00 1.00 H new ATOM 0 HB3 ASN A 33 -1.659 11.583 -6.458 1.00 1.00 H new ATOM 0 HD21 ASN A 33 -4.132 10.070 -4.149 1.00 1.00 H new ATOM 0 HD22 ASN A 33 -3.832 11.630 -4.922 1.00 1.00 H new ATOM 541 N ASN A 34 0.695 8.833 -5.742 1.00 1.00 N ATOM 542 CA ASN A 34 0.997 7.667 -6.555 1.00 1.00 C ATOM 543 C ASN A 34 -0.262 7.238 -7.311 1.00 1.00 C ATOM 544 O ASN A 34 -0.130 6.691 -8.416 1.00 1.00 O ATOM 545 CB ASN A 34 1.451 6.492 -5.687 1.00 1.00 C ATOM 546 CG ASN A 34 1.433 5.184 -6.481 1.00 1.00 C ATOM 547 OD1 ASN A 34 1.573 5.162 -7.693 1.00 1.00 O ATOM 548 ND2 ASN A 34 1.254 4.100 -5.733 1.00 1.00 N ATOM 0 H ASN A 34 0.707 8.657 -4.737 1.00 1.00 H new ATOM 0 HA ASN A 34 1.797 7.935 -7.245 1.00 1.00 H new ATOM 0 HB2 ASN A 34 2.457 6.680 -5.312 1.00 1.00 H new ATOM 0 HB3 ASN A 34 0.798 6.403 -4.819 1.00 1.00 H new ATOM 0 HD21 ASN A 34 1.227 3.178 -6.169 1.00 1.00 H new ATOM 0 HD22 ASN A 34 1.143 4.190 -4.723 1.00 1.00 H new ATOM 555 N GLN A 35 -1.440 7.489 -6.711 1.00 1.00 N ATOM 556 CA GLN A 35 -2.708 7.131 -7.323 1.00 1.00 C ATOM 557 C GLN A 35 -2.775 7.724 -8.731 1.00 1.00 C ATOM 558 O GLN A 35 -3.442 7.129 -9.591 1.00 1.00 O ATOM 559 CB GLN A 35 -3.893 7.597 -6.474 1.00 1.00 C ATOM 560 CG GLN A 35 -4.990 6.531 -6.433 1.00 1.00 C ATOM 561 CD GLN A 35 -5.831 6.560 -7.711 1.00 1.00 C ATOM 562 OE1 GLN A 35 -5.783 5.663 -8.537 1.00 1.00 O ATOM 563 NE2 GLN A 35 -6.601 7.638 -7.828 1.00 1.00 N ATOM 0 H GLN A 35 -1.527 7.940 -5.800 1.00 1.00 H new ATOM 0 HA GLN A 35 -2.771 6.045 -7.387 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -3.556 7.816 -5.461 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -4.296 8.523 -6.883 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -4.540 5.546 -6.312 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -5.631 6.697 -5.567 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -6.593 8.352 -7.099 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -7.199 7.751 -8.646 1.00 1.00 H new ATOM 572 N THR A 36 -2.095 8.866 -8.937 1.00 1.00 N ATOM 573 CA THR A 36 -2.078 9.530 -10.229 1.00 1.00 C ATOM 574 C THR A 36 -0.628 9.731 -10.676 1.00 1.00 C ATOM 575 O THR A 36 -0.393 10.571 -11.557 1.00 1.00 O ATOM 576 CB THR A 36 -2.865 10.837 -10.117 1.00 1.00 C ATOM 577 OG1 THR A 36 -2.444 11.391 -8.873 1.00 1.00 O ATOM 578 CG2 THR A 36 -4.365 10.603 -9.931 1.00 1.00 C ATOM 0 H THR A 36 -1.552 9.340 -8.215 1.00 1.00 H new ATOM 0 HA THR A 36 -2.560 8.925 -10.997 1.00 1.00 H new ATOM 0 HB THR A 36 -2.699 11.438 -11.011 1.00 1.00 H new ATOM 0 HG1 THR A 36 -2.990 11.021 -8.148 1.00 1.00 H new ATOM 0 HG21 THR A 36 -4.877 11.563 -9.857 1.00 1.00 H new ATOM 0 HG22 THR A 36 -4.755 10.049 -10.784 1.00 1.00 H new ATOM 0 HG23 THR A 36 -4.534 10.031 -9.019 1.00 1.00 H new ATOM 586 N LYS A 37 0.300 8.969 -10.069 1.00 1.00 N ATOM 587 CA LYS A 37 1.711 9.062 -10.403 1.00 1.00 C ATOM 588 C LYS A 37 2.030 10.489 -10.856 1.00 1.00 C ATOM 589 O LYS A 37 2.774 10.644 -11.835 1.00 1.00 O ATOM 590 CB LYS A 37 2.091 7.992 -11.427 1.00 1.00 C ATOM 591 CG LYS A 37 1.864 6.588 -10.864 1.00 1.00 C ATOM 592 CD LYS A 37 2.878 5.596 -11.438 1.00 1.00 C ATOM 593 CE LYS A 37 2.709 5.453 -12.951 1.00 1.00 C ATOM 594 NZ LYS A 37 1.429 4.797 -13.267 1.00 1.00 N ATOM 0 H LYS A 37 0.085 8.284 -9.344 1.00 1.00 H new ATOM 0 HA LYS A 37 2.325 8.861 -9.525 1.00 1.00 H new ATOM 0 HB2 LYS A 37 1.499 8.124 -12.333 1.00 1.00 H new ATOM 0 HB3 LYS A 37 3.137 8.109 -11.710 1.00 1.00 H new ATOM 0 HG2 LYS A 37 1.947 6.610 -9.777 1.00 1.00 H new ATOM 0 HG3 LYS A 37 0.853 6.257 -11.100 1.00 1.00 H new ATOM 0 HD2 LYS A 37 3.890 5.933 -11.212 1.00 1.00 H new ATOM 0 HD3 LYS A 37 2.751 4.624 -10.961 1.00 1.00 H new ATOM 0 HE2 LYS A 37 2.747 6.435 -13.422 1.00 1.00 H new ATOM 0 HE3 LYS A 37 3.534 4.871 -13.362 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 1.424 4.509 -14.266 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 1.311 3.958 -12.664 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 0.647 5.460 -13.094 1.00 1.00 H new ATOM 608 N GLN A 38 1.469 11.485 -10.147 1.00 1.00 N ATOM 609 CA GLN A 38 1.693 12.883 -10.475 1.00 1.00 C ATOM 610 C GLN A 38 1.465 13.738 -9.226 1.00 1.00 C ATOM 611 O GLN A 38 1.540 13.191 -8.116 1.00 1.00 O ATOM 612 CB GLN A 38 0.793 13.341 -11.625 1.00 1.00 C ATOM 613 CG GLN A 38 -0.624 13.634 -11.129 1.00 1.00 C ATOM 614 CD GLN A 38 -1.642 13.494 -12.263 1.00 1.00 C ATOM 615 OE1 GLN A 38 -2.392 14.404 -12.574 1.00 1.00 O ATOM 616 NE2 GLN A 38 -1.625 12.307 -12.861 1.00 1.00 N ATOM 0 H GLN A 38 0.858 11.335 -9.344 1.00 1.00 H new ATOM 0 HA GLN A 38 2.723 13.003 -10.810 1.00 1.00 H new ATOM 0 HB2 GLN A 38 1.213 14.235 -12.086 1.00 1.00 H new ATOM 0 HB3 GLN A 38 0.760 12.570 -12.395 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -0.879 12.949 -10.320 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -0.668 14.643 -10.718 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -0.971 11.589 -12.550 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -2.266 12.114 -13.630 1.00 1.00 H new ATOM 625 N CYS A 39 1.195 15.040 -9.429 1.00 1.00 N ATOM 626 CA CYS A 39 0.960 15.957 -8.327 1.00 1.00 C ATOM 627 C CYS A 39 -0.534 16.280 -8.249 1.00 1.00 C ATOM 628 O CYS A 39 -1.106 16.678 -9.274 1.00 1.00 O ATOM 629 CB CYS A 39 1.810 17.222 -8.470 1.00 1.00 C ATOM 630 SG CYS A 39 3.587 16.982 -8.179 1.00 1.00 S ATOM 0 H CYS A 39 1.137 15.470 -10.352 1.00 1.00 H new ATOM 0 HA CYS A 39 1.262 15.483 -7.393 1.00 1.00 H new ATOM 0 HB2 CYS A 39 1.671 17.624 -9.473 1.00 1.00 H new ATOM 0 HB3 CYS A 39 1.440 17.973 -7.772 1.00 1.00 H new ATOM 636 N GLU A 40 -1.126 16.105 -7.054 1.00 1.00 N ATOM 637 CA GLU A 40 -2.539 16.376 -6.847 1.00 1.00 C ATOM 638 C GLU A 40 -2.692 17.551 -5.880 1.00 1.00 C ATOM 639 O GLU A 40 -1.871 17.667 -4.958 1.00 1.00 O ATOM 640 CB GLU A 40 -3.278 15.140 -6.330 1.00 1.00 C ATOM 641 CG GLU A 40 -2.960 13.912 -7.187 1.00 1.00 C ATOM 642 CD GLU A 40 -4.077 12.872 -7.089 1.00 1.00 C ATOM 643 OE1 GLU A 40 -5.271 13.337 -7.241 1.00 1.00 O ATOM 644 OE2 GLU A 40 -3.799 11.682 -6.877 1.00 1.00 O ATOM 0 H GLU A 40 -0.637 15.776 -6.222 1.00 1.00 H new ATOM 0 HA GLU A 40 -2.989 16.637 -7.805 1.00 1.00 H new ATOM 0 HB2 GLU A 40 -2.994 14.949 -5.295 1.00 1.00 H new ATOM 0 HB3 GLU A 40 -4.352 15.325 -6.337 1.00 1.00 H new ATOM 0 HG2 GLU A 40 -2.829 14.213 -8.226 1.00 1.00 H new ATOM 0 HG3 GLU A 40 -2.018 13.471 -6.862 1.00 1.00 H new ATOM 651 N ARG A 41 -3.723 18.385 -6.104 1.00 1.00 N ATOM 652 CA ARG A 41 -3.978 19.539 -5.259 1.00 1.00 C ATOM 653 C ARG A 41 -4.650 19.077 -3.964 1.00 1.00 C ATOM 654 O ARG A 41 -5.783 18.577 -4.033 1.00 1.00 O ATOM 655 CB ARG A 41 -4.878 20.561 -5.956 1.00 1.00 C ATOM 656 CG ARG A 41 -4.176 21.914 -6.081 1.00 1.00 C ATOM 657 CD ARG A 41 -4.737 22.716 -7.258 1.00 1.00 C ATOM 658 NE ARG A 41 -5.627 23.789 -6.761 1.00 1.00 N ATOM 659 CZ ARG A 41 -6.911 23.597 -6.391 1.00 1.00 C ATOM 660 NH1 ARG A 41 -7.432 22.365 -6.470 1.00 1.00 N ATOM 661 NH2 ARG A 41 -7.653 24.622 -5.951 1.00 1.00 N ATOM 0 H ARG A 41 -4.388 18.271 -6.869 1.00 1.00 H new ATOM 0 HA ARG A 41 -3.023 20.019 -5.045 1.00 1.00 H new ATOM 0 HB2 ARG A 41 -5.150 20.196 -6.946 1.00 1.00 H new ATOM 0 HB3 ARG A 41 -5.804 20.678 -5.394 1.00 1.00 H new ATOM 0 HG2 ARG A 41 -4.302 22.480 -5.158 1.00 1.00 H new ATOM 0 HG3 ARG A 41 -3.105 21.761 -6.218 1.00 1.00 H new ATOM 0 HD2 ARG A 41 -3.920 23.148 -7.836 1.00 1.00 H new ATOM 0 HD3 ARG A 41 -5.288 22.056 -7.928 1.00 1.00 H new ATOM 0 HE ARG A 41 -5.246 24.733 -6.694 1.00 1.00 H new ATOM 0 HH11 ARG A 41 -6.860 21.590 -6.806 1.00 1.00 H new ATOM 0 HH12 ARG A 41 -8.400 22.202 -6.194 1.00 1.00 H new ATOM 0 HH21 ARG A 41 -7.249 25.557 -5.894 1.00 1.00 H new ATOM 0 HH22 ARG A 41 -8.622 24.468 -5.674 1.00 1.00 H new ATOM 675 N PHE A 42 -3.952 19.252 -2.827 1.00 1.00 N ATOM 676 CA PHE A 42 -4.478 18.856 -1.532 1.00 1.00 C ATOM 677 C PHE A 42 -4.372 20.035 -0.562 1.00 1.00 C ATOM 678 O PHE A 42 -3.800 21.065 -0.946 1.00 1.00 O ATOM 679 CB PHE A 42 -3.682 17.644 -1.010 1.00 1.00 C ATOM 680 CG PHE A 42 -2.423 18.000 -0.230 1.00 1.00 C ATOM 681 CD1 PHE A 42 -1.319 18.583 -0.895 1.00 1.00 C ATOM 682 CD2 PHE A 42 -2.351 17.757 1.161 1.00 1.00 C ATOM 683 CE1 PHE A 42 -0.153 18.918 -0.174 1.00 1.00 C ATOM 684 CE2 PHE A 42 -1.184 18.092 1.881 1.00 1.00 C ATOM 685 CZ PHE A 42 -0.085 18.672 1.213 1.00 1.00 C ATOM 0 H PHE A 42 -3.021 19.667 -2.792 1.00 1.00 H new ATOM 0 HA PHE A 42 -5.527 18.572 -1.622 1.00 1.00 H new ATOM 0 HB2 PHE A 42 -4.333 17.047 -0.371 1.00 1.00 H new ATOM 0 HB3 PHE A 42 -3.404 17.017 -1.857 1.00 1.00 H new ATOM 0 HD1 PHE A 42 -1.369 18.772 -1.957 1.00 1.00 H new ATOM 0 HD2 PHE A 42 -3.192 17.314 1.674 1.00 1.00 H new ATOM 0 HE1 PHE A 42 0.688 19.363 -0.685 1.00 1.00 H new ATOM 0 HE2 PHE A 42 -1.132 17.904 2.943 1.00 1.00 H new ATOM 0 HZ PHE A 42 0.808 18.928 1.764 1.00 1.00 H new ATOM 695 N LYS A 43 -4.917 19.863 0.656 1.00 1.00 N ATOM 696 CA LYS A 43 -4.884 20.904 1.668 1.00 1.00 C ATOM 697 C LYS A 43 -3.750 20.616 2.654 1.00 1.00 C ATOM 698 O LYS A 43 -3.366 19.445 2.785 1.00 1.00 O ATOM 699 CB LYS A 43 -6.254 21.049 2.333 1.00 1.00 C ATOM 700 CG LYS A 43 -7.141 19.840 2.027 1.00 1.00 C ATOM 701 CD LYS A 43 -7.572 19.833 0.559 1.00 1.00 C ATOM 702 CE LYS A 43 -9.097 19.877 0.435 1.00 1.00 C ATOM 703 NZ LYS A 43 -9.505 19.687 -0.967 1.00 1.00 N ATOM 0 H LYS A 43 -5.384 19.006 0.952 1.00 1.00 H new ATOM 0 HA LYS A 43 -4.673 21.871 1.212 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -6.130 21.151 3.411 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -6.739 21.959 1.981 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -6.601 18.921 2.255 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -8.022 19.859 2.668 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -7.137 20.690 0.044 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -7.189 18.938 0.068 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -9.541 19.101 1.058 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -9.470 20.833 0.802 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -10.542 19.719 -1.034 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -9.096 20.443 -1.553 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -9.165 18.764 -1.306 1.00 1.00 H new ATOM 717 N TYR A 44 -3.244 21.672 3.316 1.00 1.00 N ATOM 718 CA TYR A 44 -2.162 21.466 4.263 1.00 1.00 C ATOM 719 C TYR A 44 -2.536 22.100 5.604 1.00 1.00 C ATOM 720 O TYR A 44 -2.382 23.323 5.734 1.00 1.00 O ATOM 721 CB TYR A 44 -0.855 22.052 3.697 1.00 1.00 C ATOM 722 CG TYR A 44 0.336 21.969 4.643 1.00 1.00 C ATOM 723 CD1 TYR A 44 0.498 20.839 5.478 1.00 1.00 C ATOM 724 CD2 TYR A 44 1.287 23.013 4.688 1.00 1.00 C ATOM 725 CE1 TYR A 44 1.601 20.756 6.354 1.00 1.00 C ATOM 726 CE2 TYR A 44 2.391 22.930 5.564 1.00 1.00 C ATOM 727 CZ TYR A 44 2.548 21.802 6.398 1.00 1.00 C ATOM 728 OH TYR A 44 3.614 21.718 7.248 1.00 1.00 O ATOM 0 H TYR A 44 -3.559 22.636 3.212 1.00 1.00 H new ATOM 0 HA TYR A 44 -2.002 20.400 4.426 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -0.607 21.528 2.774 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -1.023 23.097 3.436 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -0.225 20.037 5.445 1.00 1.00 H new ATOM 0 HD2 TYR A 44 1.169 23.877 4.051 1.00 1.00 H new ATOM 0 HE1 TYR A 44 1.721 19.892 6.991 1.00 1.00 H new ATOM 0 HE2 TYR A 44 3.116 23.730 5.596 1.00 1.00 H new ATOM 0 HH TYR A 44 4.171 22.519 7.154 1.00 1.00 H new ATOM 789 N ASN A 50 3.437 16.044 6.848 1.00 1.00 N ATOM 790 CA ASN A 50 4.671 15.349 6.522 1.00 1.00 C ATOM 791 C ASN A 50 5.418 16.128 5.437 1.00 1.00 C ATOM 792 O ASN A 50 5.146 17.328 5.280 1.00 1.00 O ATOM 793 CB ASN A 50 4.387 13.945 5.985 1.00 1.00 C ATOM 794 CG ASN A 50 3.793 14.006 4.576 1.00 1.00 C ATOM 795 OD1 ASN A 50 4.010 14.941 3.823 1.00 1.00 O ATOM 796 ND2 ASN A 50 3.033 12.961 4.264 1.00 1.00 N ATOM 0 HA ASN A 50 5.266 15.273 7.432 1.00 1.00 H new ATOM 0 HB2 ASN A 50 5.309 13.364 5.970 1.00 1.00 H new ATOM 0 HB3 ASN A 50 3.697 13.429 6.652 1.00 1.00 H new ATOM 0 HD21 ASN A 50 2.590 12.908 3.347 1.00 1.00 H new ATOM 0 HD22 ASN A 50 2.893 12.212 4.942 1.00 1.00 H new ATOM 803 N MET A 51 6.328 15.443 4.723 1.00 1.00 N ATOM 804 CA MET A 51 7.105 16.067 3.665 1.00 1.00 C ATOM 805 C MET A 51 6.175 16.439 2.508 1.00 1.00 C ATOM 806 O MET A 51 5.766 17.607 2.433 1.00 1.00 O ATOM 807 CB MET A 51 8.186 15.108 3.163 1.00 1.00 C ATOM 808 CG MET A 51 9.400 15.115 4.094 1.00 1.00 C ATOM 809 SD MET A 51 10.801 14.277 3.296 1.00 1.00 S ATOM 810 CE MET A 51 11.277 15.544 2.084 1.00 1.00 C ATOM 0 H MET A 51 6.536 14.455 4.868 1.00 1.00 H new ATOM 0 HA MET A 51 7.585 16.963 4.058 1.00 1.00 H new ATOM 0 HB2 MET A 51 7.780 14.099 3.097 1.00 1.00 H new ATOM 0 HB3 MET A 51 8.493 15.395 2.157 1.00 1.00 H new ATOM 0 HG2 MET A 51 9.673 16.141 4.342 1.00 1.00 H new ATOM 0 HG3 MET A 51 9.153 14.616 5.031 1.00 1.00 H new ATOM 0 HE1 MET A 51 12.182 15.229 1.565 1.00 1.00 H new ATOM 0 HE2 MET A 51 10.472 15.677 1.361 1.00 1.00 H new ATOM 0 HE3 MET A 51 11.463 16.487 2.598 1.00 1.00 H new ATOM 820 N ASN A 52 5.867 15.457 1.643 1.00 1.00 N ATOM 821 CA ASN A 52 4.995 15.680 0.503 1.00 1.00 C ATOM 822 C ASN A 52 3.983 16.775 0.847 1.00 1.00 C ATOM 823 O ASN A 52 2.960 16.459 1.470 1.00 1.00 O ATOM 824 CB ASN A 52 4.216 14.412 0.148 1.00 1.00 C ATOM 825 CG ASN A 52 3.805 14.415 -1.326 1.00 1.00 C ATOM 826 OD1 ASN A 52 4.122 15.317 -2.083 1.00 1.00 O ATOM 827 ND2 ASN A 52 3.084 13.358 -1.689 1.00 1.00 N ATOM 0 H ASN A 52 6.216 14.502 1.722 1.00 1.00 H new ATOM 0 HA ASN A 52 5.616 15.971 -0.344 1.00 1.00 H new ATOM 0 HB2 ASN A 52 4.828 13.535 0.357 1.00 1.00 H new ATOM 0 HB3 ASN A 52 3.328 14.338 0.776 1.00 1.00 H new ATOM 0 HD21 ASN A 52 2.761 13.267 -2.652 1.00 1.00 H new ATOM 0 HD22 ASN A 52 2.854 12.638 -1.004 1.00 1.00 H new ATOM 834 N ASN A 53 4.284 18.022 0.440 1.00 1.00 N ATOM 835 CA ASN A 53 3.407 19.150 0.703 1.00 1.00 C ATOM 836 C ASN A 53 3.975 20.400 0.027 1.00 1.00 C ATOM 837 O ASN A 53 4.423 21.307 0.744 1.00 1.00 O ATOM 838 CB ASN A 53 3.304 19.430 2.204 1.00 1.00 C ATOM 839 CG ASN A 53 2.668 20.796 2.464 1.00 1.00 C ATOM 840 OD1 ASN A 53 1.514 21.043 2.152 1.00 1.00 O ATOM 841 ND2 ASN A 53 3.481 21.669 3.053 1.00 1.00 N ATOM 0 H ASN A 53 5.133 18.262 -0.073 1.00 1.00 H new ATOM 0 HA ASN A 53 2.419 18.907 0.313 1.00 1.00 H new ATOM 0 HB2 ASN A 53 2.710 18.651 2.683 1.00 1.00 H new ATOM 0 HB3 ASN A 53 4.297 19.396 2.653 1.00 1.00 H new ATOM 0 HD21 ASN A 53 3.149 22.609 3.270 1.00 1.00 H new ATOM 0 HD22 ASN A 53 4.436 21.398 3.288 1.00 1.00 H new ATOM 848 N PHE A 54 3.945 20.423 -1.317 1.00 1.00 N ATOM 849 CA PHE A 54 4.453 21.552 -2.079 1.00 1.00 C ATOM 850 C PHE A 54 3.387 22.647 -2.132 1.00 1.00 C ATOM 851 O PHE A 54 2.222 22.352 -1.827 1.00 1.00 O ATOM 852 CB PHE A 54 4.823 21.080 -3.499 1.00 1.00 C ATOM 853 CG PHE A 54 5.771 19.889 -3.546 1.00 1.00 C ATOM 854 CD1 PHE A 54 5.263 18.570 -3.514 1.00 1.00 C ATOM 855 CD2 PHE A 54 7.168 20.098 -3.615 1.00 1.00 C ATOM 856 CE1 PHE A 54 6.146 17.469 -3.553 1.00 1.00 C ATOM 857 CE2 PHE A 54 8.049 18.997 -3.655 1.00 1.00 C ATOM 858 CZ PHE A 54 7.538 17.682 -3.624 1.00 1.00 C ATOM 0 H PHE A 54 3.571 19.666 -1.889 1.00 1.00 H new ATOM 0 HA PHE A 54 5.345 21.958 -1.602 1.00 1.00 H new ATOM 0 HB2 PHE A 54 3.908 20.820 -4.031 1.00 1.00 H new ATOM 0 HB3 PHE A 54 5.279 21.912 -4.037 1.00 1.00 H new ATOM 0 HD1 PHE A 54 4.197 18.404 -3.460 1.00 1.00 H new ATOM 0 HD2 PHE A 54 7.562 21.104 -3.637 1.00 1.00 H new ATOM 0 HE1 PHE A 54 5.755 16.463 -3.528 1.00 1.00 H new ATOM 0 HE2 PHE A 54 9.115 19.161 -3.709 1.00 1.00 H new ATOM 0 HZ PHE A 54 8.213 16.839 -3.655 1.00 1.00 H new ATOM 868 N GLU A 55 3.799 23.871 -2.510 1.00 1.00 N ATOM 869 CA GLU A 55 2.885 24.997 -2.600 1.00 1.00 C ATOM 870 C GLU A 55 2.418 25.155 -4.049 1.00 1.00 C ATOM 871 O GLU A 55 1.329 25.707 -4.260 1.00 1.00 O ATOM 872 CB GLU A 55 3.530 26.286 -2.088 1.00 1.00 C ATOM 873 CG GLU A 55 3.853 26.183 -0.596 1.00 1.00 C ATOM 874 CD GLU A 55 3.305 27.389 0.169 1.00 1.00 C ATOM 875 OE1 GLU A 55 2.182 27.848 -0.269 1.00 1.00 O ATOM 876 OE2 GLU A 55 3.936 27.851 1.131 1.00 1.00 O ATOM 0 H GLU A 55 4.763 24.094 -2.756 1.00 1.00 H new ATOM 0 HA GLU A 55 2.022 24.799 -1.964 1.00 1.00 H new ATOM 0 HB2 GLU A 55 4.443 26.487 -2.648 1.00 1.00 H new ATOM 0 HB3 GLU A 55 2.858 27.127 -2.261 1.00 1.00 H new ATOM 0 HG2 GLU A 55 3.426 25.266 -0.190 1.00 1.00 H new ATOM 0 HG3 GLU A 55 4.932 26.120 -0.458 1.00 1.00 H new ATOM 883 N THR A 56 3.238 24.675 -5.001 1.00 1.00 N ATOM 884 CA THR A 56 2.911 24.763 -6.414 1.00 1.00 C ATOM 885 C THR A 56 3.032 23.376 -7.048 1.00 1.00 C ATOM 886 O THR A 56 3.921 22.615 -6.638 1.00 1.00 O ATOM 887 CB THR A 56 3.820 25.809 -7.062 1.00 1.00 C ATOM 888 OG1 THR A 56 5.110 25.528 -6.524 1.00 1.00 O ATOM 889 CG2 THR A 56 3.516 27.228 -6.580 1.00 1.00 C ATOM 0 H THR A 56 4.131 24.223 -4.805 1.00 1.00 H new ATOM 0 HA THR A 56 1.882 25.088 -6.568 1.00 1.00 H new ATOM 0 HB THR A 56 3.711 25.763 -8.146 1.00 1.00 H new ATOM 0 HG1 THR A 56 5.736 26.233 -6.790 1.00 1.00 H new ATOM 0 HG21 THR A 56 4.189 27.931 -7.071 1.00 1.00 H new ATOM 0 HG22 THR A 56 2.485 27.482 -6.825 1.00 1.00 H new ATOM 0 HG23 THR A 56 3.657 27.284 -5.501 1.00 1.00 H new ATOM 897 N LEU A 57 2.150 23.079 -8.020 1.00 1.00 N ATOM 898 CA LEU A 57 2.159 21.795 -8.701 1.00 1.00 C ATOM 899 C LEU A 57 3.530 21.574 -9.344 1.00 1.00 C ATOM 900 O LEU A 57 4.130 20.516 -9.104 1.00 1.00 O ATOM 901 CB LEU A 57 0.994 21.706 -9.690 1.00 1.00 C ATOM 902 CG LEU A 57 0.790 20.348 -10.364 1.00 1.00 C ATOM 903 CD1 LEU A 57 -0.186 19.481 -9.567 1.00 1.00 C ATOM 904 CD2 LEU A 57 0.347 20.519 -11.819 1.00 1.00 C ATOM 0 H LEU A 57 1.425 23.720 -8.344 1.00 1.00 H new ATOM 0 HA LEU A 57 2.006 20.984 -7.989 1.00 1.00 H new ATOM 0 HB2 LEU A 57 0.076 21.970 -9.165 1.00 1.00 H new ATOM 0 HB3 LEU A 57 1.144 22.456 -10.467 1.00 1.00 H new ATOM 0 HG LEU A 57 1.747 19.827 -10.377 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -0.313 18.521 -10.068 1.00 1.00 H new ATOM 0 HD12 LEU A 57 0.208 19.317 -8.564 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -1.150 19.986 -9.500 1.00 1.00 H new ATOM 0 HD21 LEU A 57 0.209 19.539 -12.275 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -0.593 21.069 -11.851 1.00 1.00 H new ATOM 0 HD23 LEU A 57 1.109 21.071 -12.369 1.00 1.00 H new ATOM 916 N GLU A 58 3.990 22.559 -10.136 1.00 1.00 N ATOM 917 CA GLU A 58 5.277 22.471 -10.806 1.00 1.00 C ATOM 918 C GLU A 58 6.361 22.145 -9.776 1.00 1.00 C ATOM 919 O GLU A 58 7.136 21.208 -10.014 1.00 1.00 O ATOM 920 CB GLU A 58 5.607 23.761 -11.560 1.00 1.00 C ATOM 921 CG GLU A 58 6.310 23.457 -12.884 1.00 1.00 C ATOM 922 CD GLU A 58 6.652 24.747 -13.632 1.00 1.00 C ATOM 923 OE1 GLU A 58 6.273 25.833 -13.048 1.00 1.00 O ATOM 924 OE2 GLU A 58 7.250 24.695 -14.717 1.00 1.00 O ATOM 0 H GLU A 58 3.480 23.423 -10.321 1.00 1.00 H new ATOM 0 HA GLU A 58 5.232 21.673 -11.547 1.00 1.00 H new ATOM 0 HB2 GLU A 58 4.691 24.320 -11.751 1.00 1.00 H new ATOM 0 HB3 GLU A 58 6.244 24.394 -10.943 1.00 1.00 H new ATOM 0 HG2 GLU A 58 7.221 22.890 -12.694 1.00 1.00 H new ATOM 0 HG3 GLU A 58 5.669 22.831 -13.505 1.00 1.00 H new ATOM 931 N GLU A 59 6.393 22.912 -8.672 1.00 1.00 N ATOM 932 CA GLU A 59 7.373 22.705 -7.619 1.00 1.00 C ATOM 933 C GLU A 59 7.330 21.244 -7.168 1.00 1.00 C ATOM 934 O GLU A 59 8.403 20.659 -6.960 1.00 1.00 O ATOM 935 CB GLU A 59 7.137 23.650 -6.439 1.00 1.00 C ATOM 936 CG GLU A 59 8.158 23.402 -5.326 1.00 1.00 C ATOM 937 CD GLU A 59 8.744 24.720 -4.816 1.00 1.00 C ATOM 938 OE1 GLU A 59 8.703 25.734 -5.529 1.00 1.00 O ATOM 939 OE2 GLU A 59 9.257 24.667 -3.634 1.00 1.00 O ATOM 0 H GLU A 59 5.745 23.680 -8.496 1.00 1.00 H new ATOM 0 HA GLU A 59 8.364 22.931 -8.014 1.00 1.00 H new ATOM 0 HB2 GLU A 59 7.206 24.684 -6.777 1.00 1.00 H new ATOM 0 HB3 GLU A 59 6.128 23.508 -6.051 1.00 1.00 H new ATOM 0 HG2 GLU A 59 7.682 22.869 -4.503 1.00 1.00 H new ATOM 0 HG3 GLU A 59 8.959 22.764 -5.698 1.00 1.00 H new ATOM 946 N CYS A 60 6.111 20.692 -7.028 1.00 1.00 N ATOM 947 CA CYS A 60 5.935 19.313 -6.607 1.00 1.00 C ATOM 948 C CYS A 60 6.455 18.378 -7.701 1.00 1.00 C ATOM 949 O CYS A 60 6.892 17.267 -7.368 1.00 1.00 O ATOM 950 CB CYS A 60 4.473 19.025 -6.258 1.00 1.00 C ATOM 951 SG CYS A 60 4.094 17.276 -5.946 1.00 1.00 S ATOM 0 H CYS A 60 5.239 21.191 -7.204 1.00 1.00 H new ATOM 0 HA CYS A 60 6.513 19.138 -5.699 1.00 1.00 H new ATOM 0 HB2 CYS A 60 4.204 19.604 -5.374 1.00 1.00 H new ATOM 0 HB3 CYS A 60 3.843 19.379 -7.074 1.00 1.00 H new ATOM 957 N LYS A 61 6.399 18.840 -8.963 1.00 1.00 N ATOM 958 CA LYS A 61 6.861 18.050 -10.092 1.00 1.00 C ATOM 959 C LYS A 61 8.388 18.121 -10.167 1.00 1.00 C ATOM 960 O LYS A 61 9.023 17.060 -10.258 1.00 1.00 O ATOM 961 CB LYS A 61 6.161 18.495 -11.378 1.00 1.00 C ATOM 962 CG LYS A 61 4.685 18.804 -11.120 1.00 1.00 C ATOM 963 CD LYS A 61 3.796 18.170 -12.192 1.00 1.00 C ATOM 964 CE LYS A 61 3.420 16.736 -11.813 1.00 1.00 C ATOM 965 NZ LYS A 61 3.230 15.917 -13.022 1.00 1.00 N ATOM 0 H LYS A 61 6.036 19.759 -9.215 1.00 1.00 H new ATOM 0 HA LYS A 61 6.596 17.001 -9.958 1.00 1.00 H new ATOM 0 HB2 LYS A 61 6.657 19.379 -11.779 1.00 1.00 H new ATOM 0 HB3 LYS A 61 6.246 17.713 -12.132 1.00 1.00 H new ATOM 0 HG2 LYS A 61 4.398 18.430 -10.137 1.00 1.00 H new ATOM 0 HG3 LYS A 61 4.533 19.883 -11.108 1.00 1.00 H new ATOM 0 HD2 LYS A 61 2.892 18.766 -12.319 1.00 1.00 H new ATOM 0 HD3 LYS A 61 4.317 18.173 -13.150 1.00 1.00 H new ATOM 0 HE2 LYS A 61 4.202 16.301 -11.191 1.00 1.00 H new ATOM 0 HE3 LYS A 61 2.505 16.738 -11.220 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 3.109 14.920 -12.751 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 2.384 16.242 -13.532 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 4.062 16.010 -13.638 1.00 1.00 H new ATOM 979 N ASN A 62 8.937 19.348 -10.129 1.00 1.00 N ATOM 980 CA ASN A 62 10.374 19.551 -10.192 1.00 1.00 C ATOM 981 C ASN A 62 11.057 18.665 -9.148 1.00 1.00 C ATOM 982 O ASN A 62 12.011 17.960 -9.506 1.00 1.00 O ATOM 983 CB ASN A 62 10.739 21.006 -9.890 1.00 1.00 C ATOM 984 CG ASN A 62 11.950 21.450 -10.712 1.00 1.00 C ATOM 985 OD1 ASN A 62 12.844 20.677 -11.015 1.00 1.00 O ATOM 986 ND2 ASN A 62 11.929 22.734 -11.056 1.00 1.00 N ATOM 0 H ASN A 62 8.395 20.209 -10.055 1.00 1.00 H new ATOM 0 HA ASN A 62 10.706 19.298 -11.199 1.00 1.00 H new ATOM 0 HB2 ASN A 62 9.889 21.651 -10.111 1.00 1.00 H new ATOM 0 HB3 ASN A 62 10.956 21.117 -8.828 1.00 1.00 H new ATOM 0 HD21 ASN A 62 12.692 23.127 -11.607 1.00 1.00 H new ATOM 0 HD22 ASN A 62 11.150 23.326 -10.769 1.00 1.00 H new ATOM 993 N ILE A 63 10.562 18.718 -7.898 1.00 1.00 N ATOM 994 CA ILE A 63 11.120 17.926 -6.815 1.00 1.00 C ATOM 995 C ILE A 63 10.786 16.451 -7.043 1.00 1.00 C ATOM 996 O ILE A 63 11.717 15.632 -7.066 1.00 1.00 O ATOM 997 CB ILE A 63 10.649 18.462 -5.462 1.00 1.00 C ATOM 998 CG1 ILE A 63 11.406 19.737 -5.083 1.00 1.00 C ATOM 999 CG2 ILE A 63 10.758 17.387 -4.378 1.00 1.00 C ATOM 1000 CD1 ILE A 63 10.651 20.982 -5.552 1.00 1.00 C ATOM 0 H ILE A 63 9.775 19.306 -7.624 1.00 1.00 H new ATOM 0 HA ILE A 63 12.207 18.008 -6.803 1.00 1.00 H new ATOM 0 HB ILE A 63 9.595 18.727 -5.548 1.00 1.00 H new ATOM 0 HG12 ILE A 63 11.543 19.776 -4.002 1.00 1.00 H new ATOM 0 HG13 ILE A 63 12.400 19.720 -5.529 1.00 1.00 H new ATOM 0 HG21 ILE A 63 10.417 17.794 -3.426 1.00 1.00 H new ATOM 0 HG22 ILE A 63 10.139 16.532 -4.650 1.00 1.00 H new ATOM 0 HG23 ILE A 63 11.796 17.068 -4.285 1.00 1.00 H new ATOM 0 HD11 ILE A 63 11.210 21.874 -5.270 1.00 1.00 H new ATOM 0 HD12 ILE A 63 10.538 20.952 -6.636 1.00 1.00 H new ATOM 0 HD13 ILE A 63 9.667 21.008 -5.085 1.00 1.00 H new ATOM 1012 N CYS A 64 9.486 16.146 -7.204 1.00 1.00 N ATOM 1013 CA CYS A 64 9.037 14.782 -7.428 1.00 1.00 C ATOM 1014 C CYS A 64 9.301 14.395 -8.884 1.00 1.00 C ATOM 1015 O CYS A 64 10.364 13.820 -9.159 1.00 1.00 O ATOM 1016 CB CYS A 64 7.563 14.618 -7.051 1.00 1.00 C ATOM 1017 SG CYS A 64 7.143 15.150 -5.366 1.00 1.00 S ATOM 0 H CYS A 64 8.735 16.836 -7.181 1.00 1.00 H new ATOM 0 HA CYS A 64 9.600 14.106 -6.784 1.00 1.00 H new ATOM 0 HB2 CYS A 64 6.957 15.185 -7.757 1.00 1.00 H new ATOM 0 HB3 CYS A 64 7.288 13.569 -7.165 1.00 1.00 H new ATOM 0 HG CYS A 64 8.154 14.934 -4.578 1.00 1.00 H new ATOM 1023 N GLU A 65 8.344 14.714 -9.775 1.00 1.00 N ATOM 1024 CA GLU A 65 8.472 14.401 -11.188 1.00 1.00 C ATOM 1025 C GLU A 65 9.951 14.437 -11.581 1.00 1.00 C ATOM 1026 O GLU A 65 10.365 13.599 -12.395 1.00 1.00 O ATOM 1027 CB GLU A 65 7.652 15.361 -12.052 1.00 1.00 C ATOM 1028 CG GLU A 65 6.376 14.686 -12.560 1.00 1.00 C ATOM 1029 CD GLU A 65 6.353 14.638 -14.089 1.00 1.00 C ATOM 1030 OE1 GLU A 65 7.053 13.691 -14.616 1.00 1.00 O ATOM 1031 OE2 GLU A 65 5.694 15.474 -14.726 1.00 1.00 O ATOM 0 H GLU A 65 7.476 15.189 -9.529 1.00 1.00 H new ATOM 0 HA GLU A 65 8.077 13.400 -11.362 1.00 1.00 H new ATOM 0 HB2 GLU A 65 7.393 16.247 -11.472 1.00 1.00 H new ATOM 0 HB3 GLU A 65 8.252 15.697 -12.898 1.00 1.00 H new ATOM 0 HG2 GLU A 65 6.311 13.674 -12.160 1.00 1.00 H new ATOM 0 HG3 GLU A 65 5.504 15.229 -12.196 1.00 1.00 H new ATOM 1038 N ASP A 66 10.704 15.392 -11.006 1.00 1.00 N ATOM 1039 CA ASP A 66 12.121 15.532 -11.295 1.00 1.00 C ATOM 1040 C ASP A 66 12.336 15.485 -12.809 1.00 1.00 C ATOM 1041 O ASP A 66 12.422 14.377 -13.358 1.00 1.00 O ATOM 1042 CB ASP A 66 12.927 14.393 -10.667 1.00 1.00 C ATOM 1043 CG ASP A 66 12.560 12.993 -11.161 1.00 1.00 C ATOM 1044 OD1 ASP A 66 11.592 12.380 -10.685 1.00 1.00 O ATOM 1045 OD2 ASP A 66 13.325 12.524 -12.088 1.00 1.00 O ATOM 0 H ASP A 66 10.343 16.074 -10.339 1.00 1.00 H new ATOM 0 HA ASP A 66 12.457 16.482 -10.880 1.00 1.00 H new ATOM 0 HB2 ASP A 66 13.985 14.565 -10.863 1.00 1.00 H new ATOM 0 HB3 ASP A 66 12.794 14.427 -9.586 1.00 1.00 H new