USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 475 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 -135:sc= -0.11 USER MOD Set 1.2: A 17 CYS SG : rot -133:sc= -1.01 USER MOD Set 1.3: A 67 CYS SG : rot 120:sc= 0.181 USER MOD Set 1.4: A 69 LYS NZ :NH3+ -171:sc=-6.81e-05 (180deg=-0.0751) USER MOD Set 1.5: A 70 CYS SG : rot -65:sc= 0.92 USER MOD Set 2.1: A 37 SER OG : rot -76:sc= 2.07 USER MOD Set 2.2: A 39 GLN : amide:sc= 1.82 K(o=4.7,f=-3.7!) USER MOD Set 2.3: A 50 GLN : amide:sc= 0.761 K(o=4.7,f=-3.7!) USER MOD Set 3.1: A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 44 GLN : amide:sc= 0.833 K(o=0.83,f=-0.67) USER MOD Set 4.1: A 31 CYS SG : rot 149:sc= 1.07 USER MOD Set 4.2: A 33 THR OG1 : rot 98:sc= 0.762 USER MOD Set 4.3: A 34 CYS SG : rot -45:sc= 0.117 USER MOD Set 4.4: A 53 CYS SG : rot -173:sc= 0.523 USER MOD Set 4.5: A 56 CYS SG : rot -42:sc= 0.558 USER MOD Set 5.1: A 23 LYS NZ :NH3+ 168:sc= 0.991 (180deg=-0.286) USER MOD Set 5.2: A 26 THR OG1 : rot 64:sc= 1.35 USER MOD Single : A 18 HIS : no HE2:sc= 1.23 K(o=1.2,f=-8.9!) USER MOD Single : A 20 SER OG : rot -67:sc= 1.33 USER MOD Single : A 27 GLN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 29 GLN : amide:sc= 1.49 K(o=1.5,f=-5.3!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0894 USER MOD Single : A 35 HIS : no HE2:sc= 1.73 K(o=1.7,f=-8.2!) USER MOD Single : A 41 GLN : amide:sc= 1.73 K(o=1.7,f=-7!) USER MOD Single : A 51 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0224 USER MOD Single : A 55 HIS : no HE2:sc= 0.49 K(o=0.49,f=-3!) USER MOD Single : A 57 GLN : amide:sc= 1.02 K(o=1,f=-4.9!) USER MOD Single : A 61 THR OG1 : rot 42:sc= 0.404 USER MOD Single : A 64 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0441) USER MOD Single : A 68 ASN : amide:sc= 0.122 K(o=0.12,f=-4.8!) USER MOD Single : A 71 HIS : no HE2:sc= 0.868 K(o=0.87,f=-3.6!) USER MOD Single : A 73 HIS : no HE2:sc= 1 K(o=1,f=-3.4!) USER MOD Single : A 79 SER OG : rot -34:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 165 N LEU A 11 6.977 -20.766 -5.150 1.00 10.00 N ATOM 166 CA LEU A 11 6.198 -20.154 -4.087 1.00 10.00 C ATOM 167 C LEU A 11 6.954 -20.359 -2.773 1.00 10.00 C ATOM 168 O LEU A 11 7.321 -21.492 -2.457 1.00 10.00 O ATOM 169 CB LEU A 11 4.805 -20.787 -4.019 1.00 10.00 C ATOM 170 CG LEU A 11 3.995 -20.701 -5.323 1.00 10.00 C ATOM 171 CD1 LEU A 11 2.586 -21.231 -5.046 1.00 10.00 C ATOM 172 CD2 LEU A 11 3.901 -19.274 -5.871 1.00 10.00 C ATOM 0 HA LEU A 11 6.065 -19.089 -4.276 1.00 10.00 H new ATOM 0 HB2 LEU A 11 4.911 -21.836 -3.742 1.00 10.00 H new ATOM 0 HB3 LEU A 11 4.239 -20.302 -3.223 1.00 10.00 H new ATOM 0 HG LEU A 11 4.507 -21.297 -6.078 1.00 10.00 H new ATOM 0 HD11 LEU A 11 1.992 -21.180 -5.958 1.00 10.00 H new ATOM 0 HD12 LEU A 11 2.646 -22.266 -4.710 1.00 10.00 H new ATOM 0 HD13 LEU A 11 2.115 -20.625 -4.272 1.00 10.00 H new ATOM 0 HD21 LEU A 11 3.318 -19.276 -6.792 1.00 10.00 H new ATOM 0 HD22 LEU A 11 3.415 -18.633 -5.135 1.00 10.00 H new ATOM 0 HD23 LEU A 11 4.903 -18.896 -6.076 1.00 10.00 H new ATOM 184 N GLU A 12 7.192 -19.285 -2.017 1.00 10.00 N ATOM 185 CA GLU A 12 7.922 -19.293 -0.755 1.00 10.00 C ATOM 186 C GLU A 12 7.028 -18.776 0.370 1.00 10.00 C ATOM 187 O GLU A 12 6.205 -17.885 0.154 1.00 10.00 O ATOM 188 CB GLU A 12 9.167 -18.404 -0.875 1.00 10.00 C ATOM 189 CG GLU A 12 10.121 -18.836 -2.000 1.00 10.00 C ATOM 190 CD GLU A 12 10.782 -20.196 -1.781 1.00 10.00 C ATOM 191 OE1 GLU A 12 10.781 -20.667 -0.623 1.00 10.00 O ATOM 192 OE2 GLU A 12 11.308 -20.728 -2.783 1.00 10.00 O ATOM 0 H GLU A 12 6.868 -18.354 -2.280 1.00 10.00 H new ATOM 0 HA GLU A 12 8.226 -20.314 -0.526 1.00 10.00 H new ATOM 0 HB2 GLU A 12 8.854 -17.375 -1.050 1.00 10.00 H new ATOM 0 HB3 GLU A 12 9.706 -18.416 0.073 1.00 10.00 H new ATOM 0 HG2 GLU A 12 9.568 -18.862 -2.939 1.00 10.00 H new ATOM 0 HG3 GLU A 12 10.899 -18.081 -2.109 1.00 10.00 H new ATOM 199 N GLU A 13 7.202 -19.334 1.571 1.00 10.00 N ATOM 200 CA GLU A 13 6.449 -18.967 2.759 1.00 10.00 C ATOM 201 C GLU A 13 6.523 -17.469 3.031 1.00 10.00 C ATOM 202 O GLU A 13 7.607 -16.888 3.052 1.00 10.00 O ATOM 203 CB GLU A 13 7.023 -19.668 4.000 1.00 10.00 C ATOM 204 CG GLU A 13 6.649 -21.147 4.116 1.00 10.00 C ATOM 205 CD GLU A 13 7.350 -22.054 3.105 1.00 10.00 C ATOM 206 OE1 GLU A 13 8.387 -21.627 2.551 1.00 10.00 O ATOM 207 OE2 GLU A 13 6.813 -23.159 2.876 1.00 10.00 O ATOM 0 H GLU A 13 7.888 -20.070 1.741 1.00 10.00 H new ATOM 0 HA GLU A 13 5.418 -19.268 2.574 1.00 10.00 H new ATOM 0 HB2 GLU A 13 8.109 -19.580 3.983 1.00 10.00 H new ATOM 0 HB3 GLU A 13 6.675 -19.146 4.891 1.00 10.00 H new ATOM 0 HG2 GLU A 13 6.887 -21.492 5.122 1.00 10.00 H new ATOM 0 HG3 GLU A 13 5.571 -21.248 3.991 1.00 10.00 H new ATOM 214 N CYS A 14 5.378 -16.866 3.341 1.00 10.00 N ATOM 215 CA CYS A 14 5.349 -15.495 3.797 1.00 10.00 C ATOM 216 C CYS A 14 5.791 -15.540 5.259 1.00 10.00 C ATOM 217 O CYS A 14 5.027 -15.954 6.135 1.00 10.00 O ATOM 218 CB CYS A 14 3.938 -14.945 3.642 1.00 10.00 C ATOM 219 SG CYS A 14 3.661 -13.313 4.362 1.00 10.00 S ATOM 0 H CYS A 14 4.463 -17.312 3.282 1.00 10.00 H new ATOM 0 HA CYS A 14 6.005 -14.840 3.224 1.00 10.00 H new ATOM 0 HB2 CYS A 14 3.698 -14.900 2.580 1.00 10.00 H new ATOM 0 HB3 CYS A 14 3.240 -15.648 4.097 1.00 10.00 H new ATOM 0 HG CYS A 14 2.538 -13.313 5.017 1.00 10.00 H new ATOM 224 N ASP A 15 7.038 -15.138 5.510 1.00 10.00 N ATOM 225 CA ASP A 15 7.670 -15.130 6.823 1.00 10.00 C ATOM 226 C ASP A 15 6.748 -14.515 7.874 1.00 10.00 C ATOM 227 O ASP A 15 6.612 -15.050 8.971 1.00 10.00 O ATOM 228 CB ASP A 15 9.020 -14.398 6.763 1.00 10.00 C ATOM 229 CG ASP A 15 8.876 -12.899 6.505 1.00 10.00 C ATOM 230 OD1 ASP A 15 8.272 -12.557 5.464 1.00 10.00 O ATOM 231 OD2 ASP A 15 9.342 -12.123 7.367 1.00 10.00 O ATOM 0 H ASP A 15 7.656 -14.797 4.774 1.00 10.00 H new ATOM 0 HA ASP A 15 7.858 -16.162 7.121 1.00 10.00 H new ATOM 0 HB2 ASP A 15 9.551 -14.550 7.703 1.00 10.00 H new ATOM 0 HB3 ASP A 15 9.632 -14.839 5.976 1.00 10.00 H new ATOM 236 N VAL A 16 6.090 -13.410 7.514 1.00 10.00 N ATOM 237 CA VAL A 16 5.163 -12.687 8.370 1.00 10.00 C ATOM 238 C VAL A 16 4.089 -13.612 8.963 1.00 10.00 C ATOM 239 O VAL A 16 3.756 -13.457 10.135 1.00 10.00 O ATOM 240 CB VAL A 16 4.587 -11.489 7.594 1.00 10.00 C ATOM 241 CG1 VAL A 16 3.569 -10.698 8.416 1.00 10.00 C ATOM 242 CG2 VAL A 16 5.714 -10.527 7.192 1.00 10.00 C ATOM 0 H VAL A 16 6.195 -12.987 6.592 1.00 10.00 H new ATOM 0 HA VAL A 16 5.697 -12.294 9.235 1.00 10.00 H new ATOM 0 HB VAL A 16 4.089 -11.901 6.716 1.00 10.00 H new ATOM 0 HG11 VAL A 16 3.193 -9.864 7.824 1.00 10.00 H new ATOM 0 HG12 VAL A 16 2.740 -11.349 8.693 1.00 10.00 H new ATOM 0 HG13 VAL A 16 4.047 -10.316 9.318 1.00 10.00 H new ATOM 0 HG21 VAL A 16 5.294 -9.684 6.644 1.00 10.00 H new ATOM 0 HG22 VAL A 16 6.218 -10.163 8.087 1.00 10.00 H new ATOM 0 HG23 VAL A 16 6.431 -11.050 6.559 1.00 10.00 H new ATOM 252 N CYS A 17 3.574 -14.587 8.199 1.00 10.00 N ATOM 253 CA CYS A 17 2.600 -15.555 8.707 1.00 10.00 C ATOM 254 C CYS A 17 3.222 -16.933 8.907 1.00 10.00 C ATOM 255 O CYS A 17 2.527 -17.891 9.248 1.00 10.00 O ATOM 256 CB CYS A 17 1.372 -15.629 7.813 1.00 10.00 C ATOM 257 SG CYS A 17 1.657 -16.000 6.089 1.00 10.00 S ATOM 0 H CYS A 17 3.821 -14.723 7.219 1.00 10.00 H new ATOM 0 HA CYS A 17 2.277 -15.201 9.686 1.00 10.00 H new ATOM 0 HB2 CYS A 17 0.701 -16.387 8.218 1.00 10.00 H new ATOM 0 HB3 CYS A 17 0.849 -14.675 7.874 1.00 10.00 H new ATOM 0 HG CYS A 17 0.973 -15.178 5.349 1.00 10.00 H new ATOM 262 N HIS A 18 4.533 -17.051 8.689 1.00 10.00 N ATOM 263 CA HIS A 18 5.282 -18.259 8.941 1.00 10.00 C ATOM 264 C HIS A 18 4.771 -19.362 8.014 1.00 10.00 C ATOM 265 O HIS A 18 4.736 -20.534 8.379 1.00 10.00 O ATOM 266 CB HIS A 18 5.190 -18.608 10.441 1.00 10.00 C ATOM 267 CG HIS A 18 5.019 -17.434 11.393 1.00 10.00 C ATOM 268 ND1 HIS A 18 5.612 -16.194 11.286 1.00 10.00 N ATOM 269 CD2 HIS A 18 4.074 -17.341 12.384 1.00 10.00 C ATOM 270 CE1 HIS A 18 5.045 -15.386 12.198 1.00 10.00 C ATOM 271 NE2 HIS A 18 4.098 -16.036 12.896 1.00 10.00 N ATOM 0 H HIS A 18 5.104 -16.288 8.325 1.00 10.00 H new ATOM 0 HA HIS A 18 6.341 -18.130 8.719 1.00 10.00 H new ATOM 0 HB2 HIS A 18 4.352 -19.290 10.584 1.00 10.00 H new ATOM 0 HB3 HIS A 18 6.093 -19.149 10.723 1.00 10.00 H new ATOM 0 HD1 HIS A 18 6.350 -15.936 10.631 1.00 10.00 H new ATOM 0 HD2 HIS A 18 3.423 -18.137 12.713 1.00 10.00 H new ATOM 0 HE1 HIS A 18 5.315 -14.351 12.350 1.00 10.00 H new ATOM 279 N GLY A 19 4.355 -18.969 6.806 1.00 10.00 N ATOM 280 CA GLY A 19 3.841 -19.899 5.820 1.00 10.00 C ATOM 281 C GLY A 19 2.372 -20.281 6.009 1.00 10.00 C ATOM 282 O GLY A 19 1.809 -20.895 5.107 1.00 10.00 O ATOM 0 H GLY A 19 4.369 -17.998 6.494 1.00 10.00 H new ATOM 0 HA2 GLY A 19 3.964 -19.462 4.829 1.00 10.00 H new ATOM 0 HA3 GLY A 19 4.445 -20.806 5.846 1.00 10.00 H new ATOM 286 N SER A 20 1.734 -19.959 7.146 1.00 10.00 N ATOM 287 CA SER A 20 0.352 -20.389 7.354 1.00 10.00 C ATOM 288 C SER A 20 -0.609 -19.612 6.458 1.00 10.00 C ATOM 289 O SER A 20 -1.200 -20.152 5.529 1.00 10.00 O ATOM 290 CB SER A 20 -0.064 -20.274 8.830 1.00 10.00 C ATOM 291 OG SER A 20 0.011 -18.940 9.307 1.00 10.00 O ATOM 0 H SER A 20 2.141 -19.420 7.910 1.00 10.00 H new ATOM 0 HA SER A 20 0.298 -21.442 7.077 1.00 10.00 H new ATOM 0 HB2 SER A 20 -1.083 -20.643 8.948 1.00 10.00 H new ATOM 0 HB3 SER A 20 0.579 -20.912 9.437 1.00 10.00 H new ATOM 0 HG SER A 20 0.948 -18.655 9.335 1.00 10.00 H new ATOM 297 N GLY A 21 -0.787 -18.341 6.808 1.00 10.00 N ATOM 298 CA GLY A 21 -1.707 -17.394 6.206 1.00 10.00 C ATOM 299 C GLY A 21 -2.285 -16.487 7.290 1.00 10.00 C ATOM 300 O GLY A 21 -2.692 -15.369 6.993 1.00 10.00 O ATOM 0 H GLY A 21 -0.255 -17.923 7.571 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -1.191 -16.797 5.454 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -2.510 -17.925 5.695 1.00 10.00 H new ATOM 304 N ALA A 22 -2.313 -16.954 8.543 1.00 10.00 N ATOM 305 CA ALA A 22 -2.806 -16.186 9.676 1.00 10.00 C ATOM 306 C ALA A 22 -1.809 -15.087 10.036 1.00 10.00 C ATOM 307 O ALA A 22 -0.615 -15.238 9.801 1.00 10.00 O ATOM 308 CB ALA A 22 -3.048 -17.142 10.841 1.00 10.00 C ATOM 0 H ALA A 22 -1.989 -17.888 8.795 1.00 10.00 H new ATOM 0 HA ALA A 22 -3.747 -15.695 9.427 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -3.418 -16.582 11.700 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.785 -17.890 10.550 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.114 -17.637 11.106 1.00 10.00 H new ATOM 314 N LYS A 23 -2.288 -13.967 10.577 1.00 10.00 N ATOM 315 CA LYS A 23 -1.415 -12.847 10.922 1.00 10.00 C ATOM 316 C LYS A 23 -0.314 -13.284 11.926 1.00 10.00 C ATOM 317 O LYS A 23 -0.417 -14.362 12.516 1.00 10.00 O ATOM 318 CB LYS A 23 -2.294 -11.660 11.356 1.00 10.00 C ATOM 319 CG LYS A 23 -2.847 -11.864 12.764 1.00 10.00 C ATOM 320 CD LYS A 23 -3.872 -10.793 13.150 1.00 10.00 C ATOM 321 CE LYS A 23 -4.359 -10.902 14.601 1.00 10.00 C ATOM 322 NZ LYS A 23 -3.249 -10.980 15.568 1.00 10.00 N ATOM 0 H LYS A 23 -3.274 -13.812 10.785 1.00 10.00 H new ATOM 0 HA LYS A 23 -0.843 -12.503 10.060 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.709 -10.741 11.322 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -3.118 -11.539 10.653 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -3.311 -12.848 12.830 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -2.025 -11.851 13.480 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -3.431 -9.808 12.997 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -4.730 -10.865 12.481 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -4.981 -10.039 14.837 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -4.988 -11.786 14.704 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -3.618 -10.848 16.531 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -2.792 -11.911 15.497 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -2.553 -10.236 15.359 1.00 10.00 H new ATOM 336 N PRO A 24 0.751 -12.487 12.127 1.00 10.00 N ATOM 337 CA PRO A 24 1.874 -12.832 12.992 1.00 10.00 C ATOM 338 C PRO A 24 1.491 -13.521 14.303 1.00 10.00 C ATOM 339 O PRO A 24 0.639 -13.025 15.042 1.00 10.00 O ATOM 340 CB PRO A 24 2.619 -11.521 13.238 1.00 10.00 C ATOM 341 CG PRO A 24 2.423 -10.802 11.906 1.00 10.00 C ATOM 342 CD PRO A 24 0.994 -11.187 11.518 1.00 10.00 C ATOM 0 HA PRO A 24 2.493 -13.581 12.498 1.00 10.00 H new ATOM 0 HB2 PRO A 24 2.197 -10.960 14.072 1.00 10.00 H new ATOM 0 HB3 PRO A 24 3.673 -11.685 13.464 1.00 10.00 H new ATOM 0 HG2 PRO A 24 2.537 -9.723 12.009 1.00 10.00 H new ATOM 0 HG3 PRO A 24 3.147 -11.130 11.160 1.00 10.00 H new ATOM 0 HD2 PRO A 24 0.279 -10.447 11.878 1.00 10.00 H new ATOM 0 HD3 PRO A 24 0.883 -11.236 10.435 1.00 10.00 H new ATOM 350 N GLY A 25 2.117 -14.673 14.576 1.00 10.00 N ATOM 351 CA GLY A 25 1.915 -15.467 15.780 1.00 10.00 C ATOM 352 C GLY A 25 0.453 -15.793 16.096 1.00 10.00 C ATOM 353 O GLY A 25 0.142 -16.130 17.237 1.00 10.00 O ATOM 0 H GLY A 25 2.799 -15.086 13.940 1.00 10.00 H new ATOM 0 HA2 GLY A 25 2.467 -16.401 15.679 1.00 10.00 H new ATOM 0 HA3 GLY A 25 2.345 -14.933 16.627 1.00 10.00 H new ATOM 357 N THR A 26 -0.444 -15.708 15.111 1.00 10.00 N ATOM 358 CA THR A 26 -1.862 -15.986 15.273 1.00 10.00 C ATOM 359 C THR A 26 -2.131 -17.309 14.562 1.00 10.00 C ATOM 360 O THR A 26 -1.628 -17.522 13.463 1.00 10.00 O ATOM 361 CB THR A 26 -2.642 -14.813 14.669 1.00 10.00 C ATOM 362 OG1 THR A 26 -2.140 -13.601 15.209 1.00 10.00 O ATOM 363 CG2 THR A 26 -4.145 -14.862 14.944 1.00 10.00 C ATOM 0 H THR A 26 -0.193 -15.438 14.160 1.00 10.00 H new ATOM 0 HA THR A 26 -2.173 -16.082 16.313 1.00 10.00 H new ATOM 0 HB THR A 26 -2.506 -14.877 13.589 1.00 10.00 H new ATOM 0 HG1 THR A 26 -1.207 -13.482 14.934 1.00 10.00 H new ATOM 0 HG21 THR A 26 -4.627 -13.999 14.485 1.00 10.00 H new ATOM 0 HG22 THR A 26 -4.562 -15.777 14.524 1.00 10.00 H new ATOM 0 HG23 THR A 26 -4.319 -14.845 16.020 1.00 10.00 H new ATOM 371 N GLN A 27 -2.886 -18.221 15.179 1.00 10.00 N ATOM 372 CA GLN A 27 -3.155 -19.511 14.561 1.00 10.00 C ATOM 373 C GLN A 27 -4.269 -19.401 13.512 1.00 10.00 C ATOM 374 O GLN A 27 -5.210 -18.624 13.697 1.00 10.00 O ATOM 375 CB GLN A 27 -3.517 -20.557 15.627 1.00 10.00 C ATOM 376 CG GLN A 27 -4.737 -20.186 16.487 1.00 10.00 C ATOM 377 CD GLN A 27 -5.466 -21.431 16.982 1.00 10.00 C ATOM 378 OE1 GLN A 27 -5.406 -21.769 18.158 1.00 10.00 O ATOM 379 NE2 GLN A 27 -6.163 -22.124 16.086 1.00 10.00 N ATOM 0 H GLN A 27 -3.315 -18.088 16.095 1.00 10.00 H new ATOM 0 HA GLN A 27 -2.247 -19.835 14.053 1.00 10.00 H new ATOM 0 HB2 GLN A 27 -3.711 -21.510 15.134 1.00 10.00 H new ATOM 0 HB3 GLN A 27 -2.658 -20.705 16.281 1.00 10.00 H new ATOM 0 HG2 GLN A 27 -4.415 -19.588 17.339 1.00 10.00 H new ATOM 0 HG3 GLN A 27 -5.421 -19.569 15.904 1.00 10.00 H new ATOM 0 HE21 GLN A 27 -6.193 -21.816 15.114 1.00 10.00 H new ATOM 0 HE22 GLN A 27 -6.668 -22.963 16.371 1.00 10.00 H new ATOM 388 N PRO A 28 -4.220 -20.206 12.437 1.00 10.00 N ATOM 389 CA PRO A 28 -5.314 -20.274 11.493 1.00 10.00 C ATOM 390 C PRO A 28 -6.439 -21.076 12.161 1.00 10.00 C ATOM 391 O PRO A 28 -6.352 -21.420 13.343 1.00 10.00 O ATOM 392 CB PRO A 28 -4.740 -20.994 10.280 1.00 10.00 C ATOM 393 CG PRO A 28 -3.741 -21.967 10.902 1.00 10.00 C ATOM 394 CD PRO A 28 -3.192 -21.176 12.091 1.00 10.00 C ATOM 0 HA PRO A 28 -5.722 -19.308 11.196 1.00 10.00 H new ATOM 0 HB2 PRO A 28 -5.514 -21.515 9.716 1.00 10.00 H new ATOM 0 HB3 PRO A 28 -4.255 -20.302 9.592 1.00 10.00 H new ATOM 0 HG2 PRO A 28 -4.222 -22.892 11.219 1.00 10.00 H new ATOM 0 HG3 PRO A 28 -2.953 -22.241 10.200 1.00 10.00 H new ATOM 0 HD2 PRO A 28 -2.978 -21.835 12.933 1.00 10.00 H new ATOM 0 HD3 PRO A 28 -2.258 -20.678 11.831 1.00 10.00 H new ATOM 402 N GLN A 29 -7.499 -21.380 11.415 1.00 10.00 N ATOM 403 CA GLN A 29 -8.634 -22.133 11.917 1.00 10.00 C ATOM 404 C GLN A 29 -8.859 -23.323 10.983 1.00 10.00 C ATOM 405 O GLN A 29 -9.000 -23.131 9.781 1.00 10.00 O ATOM 406 CB GLN A 29 -9.843 -21.194 12.003 1.00 10.00 C ATOM 407 CG GLN A 29 -9.543 -19.953 12.872 1.00 10.00 C ATOM 408 CD GLN A 29 -8.933 -18.784 12.088 1.00 10.00 C ATOM 409 OE1 GLN A 29 -9.511 -18.340 11.102 1.00 10.00 O ATOM 410 NE2 GLN A 29 -7.776 -18.257 12.489 1.00 10.00 N ATOM 0 H GLN A 29 -7.590 -21.106 10.437 1.00 10.00 H new ATOM 0 HA GLN A 29 -8.463 -22.526 12.919 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -10.128 -20.876 11.000 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -10.693 -21.733 12.420 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -10.467 -19.619 13.344 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -8.860 -20.237 13.673 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -7.302 -18.633 13.310 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -7.365 -17.478 11.974 1.00 10.00 H new ATOM 419 N THR A 30 -8.844 -24.551 11.508 1.00 10.00 N ATOM 420 CA THR A 30 -8.999 -25.782 10.747 1.00 10.00 C ATOM 421 C THR A 30 -10.151 -25.692 9.743 1.00 10.00 C ATOM 422 O THR A 30 -11.280 -25.414 10.142 1.00 10.00 O ATOM 423 CB THR A 30 -9.283 -26.906 11.754 1.00 10.00 C ATOM 424 OG1 THR A 30 -8.465 -26.709 12.894 1.00 10.00 O ATOM 425 CG2 THR A 30 -9.015 -28.288 11.151 1.00 10.00 C ATOM 0 H THR A 30 -8.719 -24.715 12.507 1.00 10.00 H new ATOM 0 HA THR A 30 -8.090 -25.971 10.175 1.00 10.00 H new ATOM 0 HB THR A 30 -10.337 -26.871 12.029 1.00 10.00 H new ATOM 0 HG1 THR A 30 -8.637 -27.419 13.547 1.00 10.00 H new ATOM 0 HG21 THR A 30 -9.227 -29.057 11.894 1.00 10.00 H new ATOM 0 HG22 THR A 30 -9.656 -28.436 10.282 1.00 10.00 H new ATOM 0 HG23 THR A 30 -7.970 -28.356 10.847 1.00 10.00 H new ATOM 433 N CYS A 31 -9.897 -25.946 8.455 1.00 10.00 N ATOM 434 CA CYS A 31 -10.960 -25.924 7.462 1.00 10.00 C ATOM 435 C CYS A 31 -11.891 -27.114 7.717 1.00 10.00 C ATOM 436 O CYS A 31 -11.439 -28.258 7.619 1.00 10.00 O ATOM 437 CB CYS A 31 -10.382 -25.990 6.047 1.00 10.00 C ATOM 438 SG CYS A 31 -11.639 -25.883 4.740 1.00 10.00 S ATOM 0 H CYS A 31 -8.972 -26.166 8.085 1.00 10.00 H new ATOM 0 HA CYS A 31 -11.519 -24.992 7.547 1.00 10.00 H new ATOM 0 HB2 CYS A 31 -9.666 -25.178 5.918 1.00 10.00 H new ATOM 0 HB3 CYS A 31 -9.830 -26.923 5.933 1.00 10.00 H new ATOM 0 HG CYS A 31 -11.129 -25.304 3.694 1.00 10.00 H new ATOM 443 N PRO A 32 -13.175 -26.887 8.038 1.00 10.00 N ATOM 444 CA PRO A 32 -14.092 -27.971 8.333 1.00 10.00 C ATOM 445 C PRO A 32 -14.419 -28.763 7.068 1.00 10.00 C ATOM 446 O PRO A 32 -14.547 -29.982 7.134 1.00 10.00 O ATOM 447 CB PRO A 32 -15.311 -27.304 8.968 1.00 10.00 C ATOM 448 CG PRO A 32 -15.334 -25.920 8.320 1.00 10.00 C ATOM 449 CD PRO A 32 -13.848 -25.600 8.157 1.00 10.00 C ATOM 0 HA PRO A 32 -13.671 -28.709 9.016 1.00 10.00 H new ATOM 0 HB2 PRO A 32 -16.226 -27.859 8.762 1.00 10.00 H new ATOM 0 HB3 PRO A 32 -15.215 -27.239 10.052 1.00 10.00 H new ATOM 0 HG2 PRO A 32 -15.853 -25.930 7.362 1.00 10.00 H new ATOM 0 HG3 PRO A 32 -15.839 -25.187 8.949 1.00 10.00 H new ATOM 0 HD2 PRO A 32 -13.675 -24.985 7.274 1.00 10.00 H new ATOM 0 HD3 PRO A 32 -13.472 -25.040 9.013 1.00 10.00 H new ATOM 457 N THR A 33 -14.534 -28.090 5.918 1.00 10.00 N ATOM 458 CA THR A 33 -14.844 -28.673 4.621 1.00 10.00 C ATOM 459 C THR A 33 -14.009 -29.927 4.330 1.00 10.00 C ATOM 460 O THR A 33 -14.550 -30.946 3.908 1.00 10.00 O ATOM 461 CB THR A 33 -14.633 -27.588 3.551 1.00 10.00 C ATOM 462 OG1 THR A 33 -14.876 -26.315 4.130 1.00 10.00 O ATOM 463 CG2 THR A 33 -15.560 -27.788 2.351 1.00 10.00 C ATOM 0 H THR A 33 -14.407 -27.079 5.871 1.00 10.00 H new ATOM 0 HA THR A 33 -15.881 -29.008 4.614 1.00 10.00 H new ATOM 0 HB THR A 33 -13.606 -27.656 3.193 1.00 10.00 H new ATOM 0 HG1 THR A 33 -14.024 -25.902 4.382 1.00 10.00 H new ATOM 0 HG21 THR A 33 -15.381 -27.002 1.618 1.00 10.00 H new ATOM 0 HG22 THR A 33 -15.363 -28.759 1.897 1.00 10.00 H new ATOM 0 HG23 THR A 33 -16.598 -27.746 2.682 1.00 10.00 H new ATOM 471 N CYS A 34 -12.696 -29.850 4.576 1.00 10.00 N ATOM 472 CA CYS A 34 -11.768 -30.965 4.395 1.00 10.00 C ATOM 473 C CYS A 34 -11.343 -31.569 5.736 1.00 10.00 C ATOM 474 O CYS A 34 -10.365 -32.312 5.791 1.00 10.00 O ATOM 475 CB CYS A 34 -10.547 -30.525 3.577 1.00 10.00 C ATOM 476 SG CYS A 34 -9.718 -28.981 4.026 1.00 10.00 S ATOM 0 H CYS A 34 -12.245 -28.999 4.911 1.00 10.00 H new ATOM 0 HA CYS A 34 -12.290 -31.744 3.840 1.00 10.00 H new ATOM 0 HB2 CYS A 34 -9.808 -31.325 3.628 1.00 10.00 H new ATOM 0 HB3 CYS A 34 -10.858 -30.444 2.535 1.00 10.00 H new ATOM 0 HG CYS A 34 -10.607 -28.058 4.243 1.00 10.00 H new ATOM 481 N HIS A 35 -12.053 -31.255 6.821 1.00 10.00 N ATOM 482 CA HIS A 35 -11.760 -31.755 8.159 1.00 10.00 C ATOM 483 C HIS A 35 -10.272 -31.569 8.494 1.00 10.00 C ATOM 484 O HIS A 35 -9.639 -32.449 9.071 1.00 10.00 O ATOM 485 CB HIS A 35 -12.193 -33.227 8.274 1.00 10.00 C ATOM 486 CG HIS A 35 -13.539 -33.557 7.666 1.00 10.00 C ATOM 487 ND1 HIS A 35 -14.600 -32.695 7.500 1.00 10.00 N ATOM 488 CD2 HIS A 35 -13.884 -34.743 7.070 1.00 10.00 C ATOM 489 CE1 HIS A 35 -15.557 -33.349 6.823 1.00 10.00 C ATOM 490 NE2 HIS A 35 -15.169 -34.603 6.534 1.00 10.00 N ATOM 0 H HIS A 35 -12.862 -30.634 6.790 1.00 10.00 H new ATOM 0 HA HIS A 35 -12.328 -31.179 8.889 1.00 10.00 H new ATOM 0 HB2 HIS A 35 -11.436 -33.849 7.797 1.00 10.00 H new ATOM 0 HB3 HIS A 35 -12.213 -33.501 9.329 1.00 10.00 H new ATOM 0 HD1 HIS A 35 -14.650 -31.732 7.832 1.00 10.00 H new ATOM 0 HD2 HIS A 35 -13.271 -35.631 7.023 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -16.511 -32.924 6.547 1.00 10.00 H new ATOM 498 N GLY A 36 -9.699 -30.425 8.106 1.00 10.00 N ATOM 499 CA GLY A 36 -8.294 -30.117 8.331 1.00 10.00 C ATOM 500 C GLY A 36 -7.299 -30.931 7.493 1.00 10.00 C ATOM 501 O GLY A 36 -6.105 -30.654 7.557 1.00 10.00 O ATOM 0 H GLY A 36 -10.207 -29.684 7.623 1.00 10.00 H new ATOM 0 HA2 GLY A 36 -8.134 -29.058 8.126 1.00 10.00 H new ATOM 0 HA3 GLY A 36 -8.069 -30.275 9.386 1.00 10.00 H new ATOM 505 N SER A 37 -7.737 -31.924 6.707 1.00 10.00 N ATOM 506 CA SER A 37 -6.819 -32.753 5.926 1.00 10.00 C ATOM 507 C SER A 37 -6.163 -31.989 4.777 1.00 10.00 C ATOM 508 O SER A 37 -5.103 -32.380 4.298 1.00 10.00 O ATOM 509 CB SER A 37 -7.554 -33.970 5.352 1.00 10.00 C ATOM 510 OG SER A 37 -8.453 -33.576 4.330 1.00 10.00 O ATOM 0 H SER A 37 -8.721 -32.170 6.598 1.00 10.00 H new ATOM 0 HA SER A 37 -6.034 -33.069 6.613 1.00 10.00 H new ATOM 0 HB2 SER A 37 -6.832 -34.682 4.953 1.00 10.00 H new ATOM 0 HB3 SER A 37 -8.099 -34.480 6.146 1.00 10.00 H new ATOM 0 HG SER A 37 -9.248 -33.169 4.733 1.00 10.00 H new ATOM 516 N GLY A 38 -6.843 -30.950 4.285 1.00 10.00 N ATOM 517 CA GLY A 38 -6.423 -30.204 3.110 1.00 10.00 C ATOM 518 C GLY A 38 -7.084 -30.761 1.849 1.00 10.00 C ATOM 519 O GLY A 38 -6.901 -30.203 0.769 1.00 10.00 O ATOM 0 H GLY A 38 -7.708 -30.605 4.700 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -6.684 -29.152 3.229 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -5.339 -30.254 3.010 1.00 10.00 H new ATOM 523 N GLN A 39 -7.878 -31.833 1.965 1.00 10.00 N ATOM 524 CA GLN A 39 -8.556 -32.447 0.839 1.00 10.00 C ATOM 525 C GLN A 39 -10.001 -32.794 1.208 1.00 10.00 C ATOM 526 O GLN A 39 -10.273 -33.344 2.270 1.00 10.00 O ATOM 527 CB GLN A 39 -7.717 -33.604 0.267 1.00 10.00 C ATOM 528 CG GLN A 39 -7.039 -34.544 1.282 1.00 10.00 C ATOM 529 CD GLN A 39 -7.857 -35.796 1.556 1.00 10.00 C ATOM 530 OE1 GLN A 39 -7.559 -36.854 1.013 1.00 10.00 O ATOM 531 NE2 GLN A 39 -8.885 -35.699 2.388 1.00 10.00 N ATOM 0 H GLN A 39 -8.063 -32.295 2.855 1.00 10.00 H new ATOM 0 HA GLN A 39 -8.644 -31.739 0.015 1.00 10.00 H new ATOM 0 HB2 GLN A 39 -8.362 -34.206 -0.374 1.00 10.00 H new ATOM 0 HB3 GLN A 39 -6.942 -33.178 -0.370 1.00 10.00 H new ATOM 0 HG2 GLN A 39 -6.057 -34.831 0.906 1.00 10.00 H new ATOM 0 HG3 GLN A 39 -6.878 -34.008 2.217 1.00 10.00 H new ATOM 0 HE21 GLN A 39 -9.106 -34.803 2.823 1.00 10.00 H new ATOM 0 HE22 GLN A 39 -9.455 -36.520 2.593 1.00 10.00 H new ATOM 540 N VAL A 40 -10.930 -32.440 0.323 1.00 10.00 N ATOM 541 CA VAL A 40 -12.354 -32.693 0.455 1.00 10.00 C ATOM 542 C VAL A 40 -12.642 -34.070 -0.123 1.00 10.00 C ATOM 543 O VAL A 40 -11.898 -34.526 -0.990 1.00 10.00 O ATOM 544 CB VAL A 40 -13.161 -31.647 -0.341 1.00 10.00 C ATOM 545 CG1 VAL A 40 -13.173 -30.285 0.345 1.00 10.00 C ATOM 546 CG2 VAL A 40 -12.658 -31.452 -1.779 1.00 10.00 C ATOM 0 H VAL A 40 -10.696 -31.949 -0.540 1.00 10.00 H new ATOM 0 HA VAL A 40 -12.639 -32.637 1.506 1.00 10.00 H new ATOM 0 HB VAL A 40 -14.171 -32.056 -0.376 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -13.753 -29.582 -0.253 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -13.623 -30.379 1.333 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -12.151 -29.919 0.445 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -13.271 -30.703 -2.280 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -11.621 -31.118 -1.759 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -12.725 -32.396 -2.319 1.00 10.00 H new ATOM 556 N GLN A 41 -13.749 -34.695 0.287 1.00 10.00 N ATOM 557 CA GLN A 41 -14.212 -35.933 -0.311 1.00 10.00 C ATOM 558 C GLN A 41 -15.459 -35.596 -1.122 1.00 10.00 C ATOM 559 O GLN A 41 -16.473 -35.174 -0.571 1.00 10.00 O ATOM 560 CB GLN A 41 -14.463 -37.027 0.732 1.00 10.00 C ATOM 561 CG GLN A 41 -14.777 -38.370 0.040 1.00 10.00 C ATOM 562 CD GLN A 41 -15.176 -39.467 1.025 1.00 10.00 C ATOM 563 OE1 GLN A 41 -15.714 -39.195 2.094 1.00 10.00 O ATOM 564 NE2 GLN A 41 -14.951 -40.726 0.668 1.00 10.00 N ATOM 0 H GLN A 41 -14.343 -34.351 1.042 1.00 10.00 H new ATOM 0 HA GLN A 41 -13.444 -36.351 -0.962 1.00 10.00 H new ATOM 0 HB2 GLN A 41 -13.587 -37.136 1.371 1.00 10.00 H new ATOM 0 HB3 GLN A 41 -15.294 -36.740 1.376 1.00 10.00 H new ATOM 0 HG2 GLN A 41 -15.583 -38.223 -0.678 1.00 10.00 H new ATOM 0 HG3 GLN A 41 -13.903 -38.695 -0.524 1.00 10.00 H new ATOM 0 HE21 GLN A 41 -14.502 -40.931 -0.225 1.00 10.00 H new ATOM 0 HE22 GLN A 41 -15.227 -41.489 1.287 1.00 10.00 H new ATOM 573 N MET A 42 -15.394 -35.812 -2.433 1.00 10.00 N ATOM 574 CA MET A 42 -16.531 -35.663 -3.317 1.00 10.00 C ATOM 575 C MET A 42 -17.373 -36.906 -3.036 1.00 10.00 C ATOM 576 O MET A 42 -17.099 -37.958 -3.603 1.00 10.00 O ATOM 577 CB MET A 42 -16.023 -35.595 -4.765 1.00 10.00 C ATOM 578 CG MET A 42 -17.151 -35.531 -5.800 1.00 10.00 C ATOM 579 SD MET A 42 -18.300 -34.145 -5.625 1.00 10.00 S ATOM 580 CE MET A 42 -19.383 -34.464 -7.033 1.00 10.00 C ATOM 0 H MET A 42 -14.539 -36.098 -2.910 1.00 10.00 H new ATOM 0 HA MET A 42 -17.117 -34.757 -3.163 1.00 10.00 H new ATOM 0 HB2 MET A 42 -15.385 -34.718 -4.878 1.00 10.00 H new ATOM 0 HB3 MET A 42 -15.403 -36.469 -4.967 1.00 10.00 H new ATOM 0 HG2 MET A 42 -16.705 -35.486 -6.794 1.00 10.00 H new ATOM 0 HG3 MET A 42 -17.720 -36.459 -5.748 1.00 10.00 H new ATOM 0 HE1 MET A 42 -20.157 -33.698 -7.077 1.00 10.00 H new ATOM 0 HE2 MET A 42 -18.799 -34.444 -7.953 1.00 10.00 H new ATOM 0 HE3 MET A 42 -19.848 -35.443 -6.920 1.00 10.00 H new ATOM 590 N ARG A 43 -18.329 -36.813 -2.105 1.00 10.00 N ATOM 591 CA ARG A 43 -19.129 -37.927 -1.591 1.00 10.00 C ATOM 592 C ARG A 43 -20.079 -38.593 -2.612 1.00 10.00 C ATOM 593 O ARG A 43 -21.197 -38.967 -2.258 1.00 10.00 O ATOM 594 CB ARG A 43 -19.965 -37.470 -0.369 1.00 10.00 C ATOM 595 CG ARG A 43 -19.361 -36.470 0.631 1.00 10.00 C ATOM 596 CD ARG A 43 -18.194 -36.994 1.472 1.00 10.00 C ATOM 597 NE ARG A 43 -17.708 -35.914 2.346 1.00 10.00 N ATOM 598 CZ ARG A 43 -16.952 -36.040 3.447 1.00 10.00 C ATOM 599 NH1 ARG A 43 -16.445 -37.221 3.809 1.00 10.00 N ATOM 600 NH2 ARG A 43 -16.692 -34.956 4.183 1.00 10.00 N ATOM 0 H ARG A 43 -18.575 -35.923 -1.672 1.00 10.00 H new ATOM 0 HA ARG A 43 -18.392 -38.684 -1.321 1.00 10.00 H new ATOM 0 HB2 ARG A 43 -20.888 -37.034 -0.750 1.00 10.00 H new ATOM 0 HB3 ARG A 43 -20.242 -38.364 0.190 1.00 10.00 H new ATOM 0 HG2 ARG A 43 -19.022 -35.593 0.080 1.00 10.00 H new ATOM 0 HG3 ARG A 43 -20.150 -36.137 1.305 1.00 10.00 H new ATOM 0 HD2 ARG A 43 -18.515 -37.847 2.071 1.00 10.00 H new ATOM 0 HD3 ARG A 43 -17.390 -37.344 0.824 1.00 10.00 H new ATOM 0 HE ARG A 43 -17.976 -34.965 2.086 1.00 10.00 H new ATOM 0 HH11 ARG A 43 -16.630 -38.050 3.244 1.00 10.00 H new ATOM 0 HH12 ARG A 43 -15.873 -37.294 4.650 1.00 10.00 H new ATOM 0 HH21 ARG A 43 -17.067 -34.049 3.905 1.00 10.00 H new ATOM 0 HH22 ARG A 43 -16.119 -35.035 5.023 1.00 10.00 H new ATOM 614 N GLN A 44 -19.669 -38.791 -3.865 1.00 10.00 N ATOM 615 CA GLN A 44 -20.473 -39.417 -4.912 1.00 10.00 C ATOM 616 C GLN A 44 -20.484 -40.949 -4.759 1.00 10.00 C ATOM 617 O GLN A 44 -20.139 -41.677 -5.689 1.00 10.00 O ATOM 618 CB GLN A 44 -19.986 -38.917 -6.284 1.00 10.00 C ATOM 619 CG GLN A 44 -18.544 -39.346 -6.591 1.00 10.00 C ATOM 620 CD GLN A 44 -17.870 -38.568 -7.712 1.00 10.00 C ATOM 621 OE1 GLN A 44 -18.449 -37.675 -8.321 1.00 10.00 O ATOM 622 NE2 GLN A 44 -16.614 -38.911 -7.971 1.00 10.00 N ATOM 0 H GLN A 44 -18.742 -38.512 -4.187 1.00 10.00 H new ATOM 0 HA GLN A 44 -21.519 -39.123 -4.820 1.00 10.00 H new ATOM 0 HB2 GLN A 44 -20.648 -39.298 -7.061 1.00 10.00 H new ATOM 0 HB3 GLN A 44 -20.052 -37.829 -6.315 1.00 10.00 H new ATOM 0 HG2 GLN A 44 -17.948 -39.240 -5.685 1.00 10.00 H new ATOM 0 HG3 GLN A 44 -18.543 -40.405 -6.851 1.00 10.00 H new ATOM 0 HE21 GLN A 44 -16.170 -39.660 -7.440 1.00 10.00 H new ATOM 0 HE22 GLN A 44 -16.093 -38.425 -8.701 1.00 10.00 H new ATOM 631 N GLY A 45 -20.895 -41.417 -3.572 1.00 10.00 N ATOM 632 CA GLY A 45 -21.013 -42.809 -3.145 1.00 10.00 C ATOM 633 C GLY A 45 -20.075 -43.768 -3.879 1.00 10.00 C ATOM 634 O GLY A 45 -18.929 -43.955 -3.469 1.00 10.00 O ATOM 0 H GLY A 45 -21.175 -40.776 -2.830 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -20.812 -42.868 -2.075 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -22.041 -43.138 -3.294 1.00 10.00 H new ATOM 638 N PHE A 46 -20.584 -44.355 -4.969 1.00 10.00 N ATOM 639 CA PHE A 46 -19.898 -45.290 -5.854 1.00 10.00 C ATOM 640 C PHE A 46 -18.424 -44.944 -6.047 1.00 10.00 C ATOM 641 O PHE A 46 -17.575 -45.831 -5.986 1.00 10.00 O ATOM 642 CB PHE A 46 -20.594 -45.308 -7.222 1.00 10.00 C ATOM 643 CG PHE A 46 -22.102 -45.455 -7.157 1.00 10.00 C ATOM 644 CD1 PHE A 46 -22.674 -46.699 -6.838 1.00 10.00 C ATOM 645 CD2 PHE A 46 -22.929 -44.330 -7.340 1.00 10.00 C ATOM 646 CE1 PHE A 46 -24.068 -46.823 -6.713 1.00 10.00 C ATOM 647 CE2 PHE A 46 -24.324 -44.454 -7.213 1.00 10.00 C ATOM 648 CZ PHE A 46 -24.894 -45.701 -6.901 1.00 10.00 C ATOM 0 H PHE A 46 -21.542 -44.176 -5.270 1.00 10.00 H new ATOM 0 HA PHE A 46 -19.946 -46.272 -5.383 1.00 10.00 H new ATOM 0 HB2 PHE A 46 -20.354 -44.385 -7.750 1.00 10.00 H new ATOM 0 HB3 PHE A 46 -20.186 -46.129 -7.812 1.00 10.00 H new ATOM 0 HD1 PHE A 46 -22.041 -47.561 -6.689 1.00 10.00 H new ATOM 0 HD2 PHE A 46 -22.492 -43.372 -7.578 1.00 10.00 H new ATOM 0 HE1 PHE A 46 -24.505 -47.781 -6.472 1.00 10.00 H new ATOM 0 HE2 PHE A 46 -24.958 -43.591 -7.355 1.00 10.00 H new ATOM 0 HZ PHE A 46 -25.966 -45.797 -6.806 1.00 10.00 H new ATOM 658 N PHE A 47 -18.129 -43.659 -6.276 1.00 10.00 N ATOM 659 CA PHE A 47 -16.767 -43.193 -6.478 1.00 10.00 C ATOM 660 C PHE A 47 -16.507 -42.001 -5.560 1.00 10.00 C ATOM 661 O PHE A 47 -16.129 -40.927 -6.031 1.00 10.00 O ATOM 662 CB PHE A 47 -16.577 -42.834 -7.962 1.00 10.00 C ATOM 663 CG PHE A 47 -17.121 -43.872 -8.930 1.00 10.00 C ATOM 664 CD1 PHE A 47 -16.585 -45.172 -8.938 1.00 10.00 C ATOM 665 CD2 PHE A 47 -18.251 -43.579 -9.718 1.00 10.00 C ATOM 666 CE1 PHE A 47 -17.181 -46.178 -9.720 1.00 10.00 C ATOM 667 CE2 PHE A 47 -18.841 -44.582 -10.507 1.00 10.00 C ATOM 668 CZ PHE A 47 -18.308 -45.882 -10.506 1.00 10.00 C ATOM 0 H PHE A 47 -18.831 -42.921 -6.325 1.00 10.00 H new ATOM 0 HA PHE A 47 -16.046 -43.971 -6.226 1.00 10.00 H new ATOM 0 HB2 PHE A 47 -17.065 -41.880 -8.158 1.00 10.00 H new ATOM 0 HB3 PHE A 47 -15.514 -42.694 -8.157 1.00 10.00 H new ATOM 0 HD1 PHE A 47 -15.713 -45.399 -8.342 1.00 10.00 H new ATOM 0 HD2 PHE A 47 -18.665 -42.582 -9.716 1.00 10.00 H new ATOM 0 HE1 PHE A 47 -16.773 -47.178 -9.716 1.00 10.00 H new ATOM 0 HE2 PHE A 47 -19.704 -44.353 -11.114 1.00 10.00 H new ATOM 0 HZ PHE A 47 -18.764 -46.653 -11.109 1.00 10.00 H new ATOM 678 N ALA A 48 -16.701 -42.200 -4.251 1.00 10.00 N ATOM 679 CA ALA A 48 -16.501 -41.179 -3.228 1.00 10.00 C ATOM 680 C ALA A 48 -15.011 -40.851 -3.048 1.00 10.00 C ATOM 681 O ALA A 48 -14.407 -41.184 -2.028 1.00 10.00 O ATOM 682 CB ALA A 48 -17.158 -41.625 -1.919 1.00 10.00 C ATOM 0 H ALA A 48 -17.008 -43.095 -3.870 1.00 10.00 H new ATOM 0 HA ALA A 48 -16.981 -40.255 -3.550 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -17.007 -40.860 -1.157 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -18.226 -41.771 -2.079 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -16.709 -42.561 -1.587 1.00 10.00 H new ATOM 688 N VAL A 49 -14.412 -40.214 -4.053 1.00 10.00 N ATOM 689 CA VAL A 49 -12.992 -39.877 -4.092 1.00 10.00 C ATOM 690 C VAL A 49 -12.688 -38.551 -3.403 1.00 10.00 C ATOM 691 O VAL A 49 -13.594 -37.795 -3.056 1.00 10.00 O ATOM 692 CB VAL A 49 -12.457 -39.899 -5.534 1.00 10.00 C ATOM 693 CG1 VAL A 49 -12.547 -41.324 -6.084 1.00 10.00 C ATOM 694 CG2 VAL A 49 -13.170 -38.903 -6.457 1.00 10.00 C ATOM 0 H VAL A 49 -14.917 -39.910 -4.886 1.00 10.00 H new ATOM 0 HA VAL A 49 -12.467 -40.647 -3.526 1.00 10.00 H new ATOM 0 HB VAL A 49 -11.415 -39.579 -5.506 1.00 10.00 H new ATOM 0 HG11 VAL A 49 -12.169 -41.344 -7.106 1.00 10.00 H new ATOM 0 HG12 VAL A 49 -11.950 -41.992 -5.463 1.00 10.00 H new ATOM 0 HG13 VAL A 49 -13.586 -41.652 -6.075 1.00 10.00 H new ATOM 0 HG21 VAL A 49 -12.746 -38.968 -7.459 1.00 10.00 H new ATOM 0 HG22 VAL A 49 -14.233 -39.140 -6.496 1.00 10.00 H new ATOM 0 HG23 VAL A 49 -13.038 -37.892 -6.072 1.00 10.00 H new ATOM 704 N GLN A 50 -11.394 -38.280 -3.212 1.00 10.00 N ATOM 705 CA GLN A 50 -10.892 -37.086 -2.554 1.00 10.00 C ATOM 706 C GLN A 50 -10.218 -36.141 -3.550 1.00 10.00 C ATOM 707 O GLN A 50 -9.685 -36.589 -4.564 1.00 10.00 O ATOM 708 CB GLN A 50 -9.990 -37.496 -1.384 1.00 10.00 C ATOM 709 CG GLN A 50 -10.843 -38.167 -0.295 1.00 10.00 C ATOM 710 CD GLN A 50 -10.036 -38.606 0.920 1.00 10.00 C ATOM 711 OE1 GLN A 50 -10.247 -38.112 2.025 1.00 10.00 O ATOM 712 NE2 GLN A 50 -9.122 -39.554 0.739 1.00 10.00 N ATOM 0 H GLN A 50 -10.652 -38.907 -3.522 1.00 10.00 H new ATOM 0 HA GLN A 50 -11.722 -36.514 -2.140 1.00 10.00 H new ATOM 0 HB2 GLN A 50 -9.216 -38.181 -1.729 1.00 10.00 H new ATOM 0 HB3 GLN A 50 -9.483 -36.621 -0.977 1.00 10.00 H new ATOM 0 HG2 GLN A 50 -11.621 -37.474 0.026 1.00 10.00 H new ATOM 0 HG3 GLN A 50 -11.346 -39.035 -0.721 1.00 10.00 H new ATOM 0 HE21 GLN A 50 -8.970 -39.945 -0.191 1.00 10.00 H new ATOM 0 HE22 GLN A 50 -8.573 -39.891 1.530 1.00 10.00 H new ATOM 721 N GLN A 51 -10.277 -34.835 -3.267 1.00 10.00 N ATOM 722 CA GLN A 51 -9.739 -33.763 -4.095 1.00 10.00 C ATOM 723 C GLN A 51 -9.138 -32.706 -3.169 1.00 10.00 C ATOM 724 O GLN A 51 -9.626 -32.535 -2.055 1.00 10.00 O ATOM 725 CB GLN A 51 -10.867 -33.075 -4.885 1.00 10.00 C ATOM 726 CG GLN A 51 -11.964 -33.984 -5.461 1.00 10.00 C ATOM 727 CD GLN A 51 -13.160 -33.147 -5.907 1.00 10.00 C ATOM 728 OE1 GLN A 51 -13.838 -32.514 -4.950 1.00 10.00 O flip ATOM 729 NE2 GLN A 51 -13.472 -33.067 -7.090 1.00 10.00 N flip ATOM 0 H GLN A 51 -10.721 -34.487 -2.417 1.00 10.00 H new ATOM 0 HA GLN A 51 -9.003 -34.182 -4.781 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -11.341 -32.342 -4.232 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -10.416 -32.522 -5.709 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -11.571 -34.550 -6.306 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -12.278 -34.709 -4.710 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -12.930 -33.566 -7.795 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -14.274 -32.502 -7.369 1.00 10.00 H new ATOM 738 N THR A 52 -8.128 -31.961 -3.614 1.00 10.00 N ATOM 739 CA THR A 52 -7.557 -30.874 -2.833 1.00 10.00 C ATOM 740 C THR A 52 -8.643 -29.844 -2.497 1.00 10.00 C ATOM 741 O THR A 52 -9.446 -29.509 -3.366 1.00 10.00 O ATOM 742 CB THR A 52 -6.459 -30.216 -3.674 1.00 10.00 C ATOM 743 OG1 THR A 52 -5.638 -31.222 -4.234 1.00 10.00 O ATOM 744 CG2 THR A 52 -5.618 -29.261 -2.827 1.00 10.00 C ATOM 0 H THR A 52 -7.686 -32.096 -4.523 1.00 10.00 H new ATOM 0 HA THR A 52 -7.144 -31.255 -1.899 1.00 10.00 H new ATOM 0 HB THR A 52 -6.925 -29.635 -4.470 1.00 10.00 H new ATOM 0 HG1 THR A 52 -4.934 -30.806 -4.775 1.00 10.00 H new ATOM 0 HG21 THR A 52 -4.846 -28.807 -3.448 1.00 10.00 H new ATOM 0 HG22 THR A 52 -6.258 -28.480 -2.415 1.00 10.00 H new ATOM 0 HG23 THR A 52 -5.150 -29.813 -2.012 1.00 10.00 H new ATOM 752 N CYS A 53 -8.676 -29.318 -1.268 1.00 10.00 N ATOM 753 CA CYS A 53 -9.662 -28.309 -0.908 1.00 10.00 C ATOM 754 C CYS A 53 -9.277 -26.979 -1.564 1.00 10.00 C ATOM 755 O CYS A 53 -8.211 -26.445 -1.248 1.00 10.00 O ATOM 756 CB CYS A 53 -9.736 -28.138 0.609 1.00 10.00 C ATOM 757 SG CYS A 53 -11.095 -27.056 1.144 1.00 10.00 S ATOM 0 H CYS A 53 -8.036 -29.575 -0.517 1.00 10.00 H new ATOM 0 HA CYS A 53 -10.642 -28.629 -1.261 1.00 10.00 H new ATOM 0 HB2 CYS A 53 -9.856 -29.117 1.073 1.00 10.00 H new ATOM 0 HB3 CYS A 53 -8.792 -27.729 0.968 1.00 10.00 H new ATOM 0 HG CYS A 53 -11.003 -26.844 2.423 1.00 10.00 H new ATOM 762 N PRO A 54 -10.107 -26.418 -2.458 1.00 10.00 N ATOM 763 CA PRO A 54 -9.780 -25.174 -3.129 1.00 10.00 C ATOM 764 C PRO A 54 -9.828 -23.994 -2.158 1.00 10.00 C ATOM 765 O PRO A 54 -8.963 -23.123 -2.214 1.00 10.00 O ATOM 766 CB PRO A 54 -10.806 -25.043 -4.258 1.00 10.00 C ATOM 767 CG PRO A 54 -12.025 -25.803 -3.733 1.00 10.00 C ATOM 768 CD PRO A 54 -11.398 -26.926 -2.904 1.00 10.00 C ATOM 0 HA PRO A 54 -8.764 -25.174 -3.524 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -11.043 -23.999 -4.464 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -10.435 -25.475 -5.188 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -12.669 -25.165 -3.127 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -12.638 -26.194 -4.545 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -12.031 -27.185 -2.055 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -11.277 -27.831 -3.500 1.00 10.00 H new ATOM 776 N HIS A 55 -10.836 -23.960 -1.278 1.00 10.00 N ATOM 777 CA HIS A 55 -11.077 -22.879 -0.326 1.00 10.00 C ATOM 778 C HIS A 55 -9.823 -22.451 0.445 1.00 10.00 C ATOM 779 O HIS A 55 -9.612 -21.251 0.635 1.00 10.00 O ATOM 780 CB HIS A 55 -12.213 -23.271 0.629 1.00 10.00 C ATOM 781 CG HIS A 55 -12.776 -22.120 1.429 1.00 10.00 C ATOM 782 ND1 HIS A 55 -12.183 -20.891 1.637 1.00 10.00 N ATOM 783 CD2 HIS A 55 -13.990 -22.101 2.063 1.00 10.00 C ATOM 784 CE1 HIS A 55 -13.028 -20.154 2.378 1.00 10.00 C ATOM 785 NE2 HIS A 55 -14.139 -20.850 2.667 1.00 10.00 N ATOM 0 H HIS A 55 -11.525 -24.709 -1.210 1.00 10.00 H new ATOM 0 HA HIS A 55 -11.374 -22.004 -0.904 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -13.018 -23.725 0.051 1.00 10.00 H new ATOM 0 HB3 HIS A 55 -11.847 -24.032 1.318 1.00 10.00 H new ATOM 0 HD1 HIS A 55 -11.270 -20.596 1.291 1.00 10.00 H new ATOM 0 HD2 HIS A 55 -14.705 -22.910 2.091 1.00 10.00 H new ATOM 0 HE1 HIS A 55 -12.839 -19.140 2.697 1.00 10.00 H new ATOM 793 N CYS A 56 -9.011 -23.417 0.886 1.00 10.00 N ATOM 794 CA CYS A 56 -7.768 -23.162 1.612 1.00 10.00 C ATOM 795 C CYS A 56 -6.544 -23.584 0.793 1.00 10.00 C ATOM 796 O CYS A 56 -5.475 -23.805 1.358 1.00 10.00 O ATOM 797 CB CYS A 56 -7.810 -23.820 2.998 1.00 10.00 C ATOM 798 SG CYS A 56 -8.329 -25.551 3.097 1.00 10.00 S ATOM 0 H CYS A 56 -9.203 -24.409 0.746 1.00 10.00 H new ATOM 0 HA CYS A 56 -7.672 -22.088 1.769 1.00 10.00 H new ATOM 0 HB2 CYS A 56 -6.814 -23.744 3.435 1.00 10.00 H new ATOM 0 HB3 CYS A 56 -8.480 -23.233 3.627 1.00 10.00 H new ATOM 0 HG CYS A 56 -9.339 -25.747 2.302 1.00 10.00 H new ATOM 803 N GLN A 57 -6.683 -23.682 -0.534 1.00 10.00 N ATOM 804 CA GLN A 57 -5.606 -24.020 -1.457 1.00 10.00 C ATOM 805 C GLN A 57 -4.790 -25.217 -0.950 1.00 10.00 C ATOM 806 O GLN A 57 -3.562 -25.192 -0.944 1.00 10.00 O ATOM 807 CB GLN A 57 -4.723 -22.785 -1.721 1.00 10.00 C ATOM 808 CG GLN A 57 -5.486 -21.573 -2.282 1.00 10.00 C ATOM 809 CD GLN A 57 -6.304 -20.844 -1.218 1.00 10.00 C ATOM 810 OE1 GLN A 57 -5.753 -20.190 -0.340 1.00 10.00 O ATOM 811 NE2 GLN A 57 -7.627 -20.965 -1.259 1.00 10.00 N ATOM 0 H GLN A 57 -7.575 -23.523 -1.003 1.00 10.00 H new ATOM 0 HA GLN A 57 -6.045 -24.324 -2.407 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -4.236 -22.495 -0.790 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -3.934 -23.059 -2.421 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -4.776 -20.877 -2.728 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -6.150 -21.905 -3.080 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -8.066 -21.514 -1.998 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -8.203 -20.509 -0.551 1.00 10.00 H new ATOM 820 N GLY A 58 -5.480 -26.272 -0.513 1.00 10.00 N ATOM 821 CA GLY A 58 -4.848 -27.488 -0.019 1.00 10.00 C ATOM 822 C GLY A 58 -4.173 -27.375 1.354 1.00 10.00 C ATOM 823 O GLY A 58 -3.738 -28.391 1.886 1.00 10.00 O ATOM 0 H GLY A 58 -6.499 -26.303 -0.493 1.00 10.00 H new ATOM 0 HA2 GLY A 58 -5.602 -28.273 0.031 1.00 10.00 H new ATOM 0 HA3 GLY A 58 -4.101 -27.809 -0.745 1.00 10.00 H new ATOM 827 N ARG A 59 -4.073 -26.182 1.951 1.00 10.00 N ATOM 828 CA ARG A 59 -3.408 -26.005 3.240 1.00 10.00 C ATOM 829 C ARG A 59 -4.174 -26.662 4.395 1.00 10.00 C ATOM 830 O ARG A 59 -3.591 -26.983 5.425 1.00 10.00 O ATOM 831 CB ARG A 59 -3.220 -24.510 3.529 1.00 10.00 C ATOM 832 CG ARG A 59 -2.317 -23.817 2.501 1.00 10.00 C ATOM 833 CD ARG A 59 -2.234 -22.317 2.805 1.00 10.00 C ATOM 834 NE ARG A 59 -3.470 -21.620 2.419 1.00 10.00 N ATOM 835 CZ ARG A 59 -3.717 -20.332 2.702 1.00 10.00 C ATOM 836 NH1 ARG A 59 -2.973 -19.660 3.579 1.00 10.00 N ATOM 837 NH2 ARG A 59 -4.709 -19.670 2.105 1.00 10.00 N ATOM 0 H ARG A 59 -4.449 -25.320 1.555 1.00 10.00 H new ATOM 0 HA ARG A 59 -2.439 -26.500 3.171 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -4.194 -24.021 3.539 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -2.792 -24.388 4.524 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -1.320 -24.257 2.525 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -2.710 -23.972 1.496 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -2.049 -22.170 3.869 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -1.388 -21.883 2.272 1.00 10.00 H new ATOM 0 HE ARG A 59 -4.179 -22.145 1.907 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -2.197 -20.124 4.051 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -3.179 -18.681 3.779 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -5.297 -20.143 1.419 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -4.880 -18.691 2.335 1.00 10.00 H new ATOM 851 N GLY A 60 -5.492 -26.822 4.245 1.00 10.00 N ATOM 852 CA GLY A 60 -6.357 -27.383 5.281 1.00 10.00 C ATOM 853 C GLY A 60 -6.719 -26.362 6.361 1.00 10.00 C ATOM 854 O GLY A 60 -7.420 -26.693 7.318 1.00 10.00 O ATOM 0 H GLY A 60 -5.990 -26.563 3.394 1.00 10.00 H new ATOM 0 HA2 GLY A 60 -7.271 -27.760 4.821 1.00 10.00 H new ATOM 0 HA3 GLY A 60 -5.858 -28.235 5.744 1.00 10.00 H new ATOM 858 N THR A 61 -6.250 -25.124 6.221 1.00 10.00 N ATOM 859 CA THR A 61 -6.430 -24.045 7.170 1.00 10.00 C ATOM 860 C THR A 61 -7.206 -22.891 6.554 1.00 10.00 C ATOM 861 O THR A 61 -6.761 -22.325 5.558 1.00 10.00 O ATOM 862 CB THR A 61 -5.032 -23.546 7.533 1.00 10.00 C ATOM 863 OG1 THR A 61 -4.266 -23.394 6.353 1.00 10.00 O ATOM 864 CG2 THR A 61 -4.349 -24.523 8.491 1.00 10.00 C ATOM 0 H THR A 61 -5.711 -24.840 5.403 1.00 10.00 H new ATOM 0 HA THR A 61 -6.987 -24.403 8.036 1.00 10.00 H new ATOM 0 HB THR A 61 -5.114 -22.581 8.033 1.00 10.00 H new ATOM 0 HG1 THR A 61 -4.818 -22.983 5.655 1.00 10.00 H new ATOM 0 HG21 THR A 61 -3.354 -24.153 8.740 1.00 10.00 H new ATOM 0 HG22 THR A 61 -4.941 -24.613 9.402 1.00 10.00 H new ATOM 0 HG23 THR A 61 -4.264 -25.500 8.015 1.00 10.00 H new ATOM 872 N LEU A 62 -8.292 -22.489 7.207 1.00 10.00 N ATOM 873 CA LEU A 62 -9.023 -21.280 6.884 1.00 10.00 C ATOM 874 C LEU A 62 -8.365 -20.180 7.699 1.00 10.00 C ATOM 875 O LEU A 62 -7.792 -20.436 8.762 1.00 10.00 O ATOM 876 CB LEU A 62 -10.503 -21.357 7.274 1.00 10.00 C ATOM 877 CG LEU A 62 -11.369 -22.190 6.325 1.00 10.00 C ATOM 878 CD1 LEU A 62 -12.826 -22.068 6.785 1.00 10.00 C ATOM 879 CD2 LEU A 62 -11.253 -21.712 4.876 1.00 10.00 C ATOM 0 H LEU A 62 -8.692 -23.008 7.989 1.00 10.00 H new ATOM 0 HA LEU A 62 -8.993 -21.110 5.808 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -10.580 -21.776 8.277 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -10.906 -20.345 7.320 1.00 10.00 H new ATOM 0 HG LEU A 62 -11.027 -23.225 6.355 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -13.466 -22.653 6.125 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -12.918 -22.442 7.805 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -13.131 -21.022 6.753 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -11.883 -22.331 4.237 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -11.576 -20.673 4.809 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -10.216 -21.791 4.549 1.00 10.00 H new ATOM 891 N ILE A 63 -8.433 -18.957 7.181 1.00 10.00 N ATOM 892 CA ILE A 63 -7.817 -17.817 7.811 1.00 10.00 C ATOM 893 C ILE A 63 -8.815 -16.664 7.838 1.00 10.00 C ATOM 894 O ILE A 63 -8.866 -15.850 6.920 1.00 10.00 O ATOM 895 CB ILE A 63 -6.504 -17.460 7.098 1.00 10.00 C ATOM 896 CG1 ILE A 63 -5.546 -18.649 6.900 1.00 10.00 C ATOM 897 CG2 ILE A 63 -5.808 -16.463 8.013 1.00 10.00 C ATOM 898 CD1 ILE A 63 -5.728 -19.334 5.543 1.00 10.00 C ATOM 0 H ILE A 63 -8.920 -18.739 6.311 1.00 10.00 H new ATOM 0 HA ILE A 63 -7.552 -18.047 8.843 1.00 10.00 H new ATOM 0 HB ILE A 63 -6.743 -17.088 6.102 1.00 10.00 H new ATOM 0 HG12 ILE A 63 -4.517 -18.301 6.992 1.00 10.00 H new ATOM 0 HG13 ILE A 63 -5.708 -19.377 7.695 1.00 10.00 H new ATOM 0 HG21 ILE A 63 -4.860 -16.161 7.568 1.00 10.00 H new ATOM 0 HG22 ILE A 63 -6.442 -15.586 8.145 1.00 10.00 H new ATOM 0 HG23 ILE A 63 -5.623 -16.926 8.982 1.00 10.00 H new ATOM 0 HD11 ILE A 63 -5.027 -20.165 5.458 1.00 10.00 H new ATOM 0 HD12 ILE A 63 -6.748 -19.709 5.459 1.00 10.00 H new ATOM 0 HD13 ILE A 63 -5.539 -18.616 4.745 1.00 10.00 H new ATOM 910 N LYS A 64 -9.589 -16.580 8.919 1.00 10.00 N ATOM 911 CA LYS A 64 -10.531 -15.496 9.140 1.00 10.00 C ATOM 912 C LYS A 64 -9.758 -14.172 9.298 1.00 10.00 C ATOM 913 O LYS A 64 -10.285 -13.102 9.007 1.00 10.00 O ATOM 914 CB LYS A 64 -11.363 -15.813 10.391 1.00 10.00 C ATOM 915 CG LYS A 64 -12.499 -14.805 10.606 1.00 10.00 C ATOM 916 CD LYS A 64 -13.443 -15.229 11.742 1.00 10.00 C ATOM 917 CE LYS A 64 -12.741 -15.416 13.094 1.00 10.00 C ATOM 918 NZ LYS A 64 -11.994 -14.213 13.502 1.00 10.00 N ATOM 0 H LYS A 64 -9.576 -17.271 9.669 1.00 10.00 H new ATOM 0 HA LYS A 64 -11.206 -15.392 8.290 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -11.782 -16.815 10.302 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -10.713 -15.816 11.266 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -12.076 -13.826 10.833 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -13.069 -14.699 9.683 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -14.226 -14.478 11.850 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -13.933 -16.163 11.465 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -13.482 -15.658 13.856 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -12.058 -16.263 13.033 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -11.635 -14.339 14.470 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -11.195 -14.064 12.853 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -12.624 -13.386 13.471 1.00 10.00 H new ATOM 932 N ASP A 65 -8.506 -14.259 9.772 1.00 10.00 N ATOM 933 CA ASP A 65 -7.556 -13.173 10.006 1.00 10.00 C ATOM 934 C ASP A 65 -6.452 -13.202 8.930 1.00 10.00 C ATOM 935 O ASP A 65 -5.314 -13.563 9.231 1.00 10.00 O ATOM 936 CB ASP A 65 -6.967 -13.367 11.419 1.00 10.00 C ATOM 937 CG ASP A 65 -6.210 -14.692 11.597 1.00 10.00 C ATOM 938 OD1 ASP A 65 -6.852 -15.755 11.423 1.00 10.00 O ATOM 939 OD2 ASP A 65 -4.998 -14.616 11.895 1.00 10.00 O ATOM 0 H ASP A 65 -8.105 -15.164 10.019 1.00 10.00 H new ATOM 0 HA ASP A 65 -8.046 -12.201 9.943 1.00 10.00 H new ATOM 0 HB2 ASP A 65 -6.291 -12.540 11.638 1.00 10.00 H new ATOM 0 HB3 ASP A 65 -7.775 -13.320 12.149 1.00 10.00 H new ATOM 944 N PRO A 66 -6.749 -12.879 7.661 1.00 10.00 N ATOM 945 CA PRO A 66 -5.786 -13.019 6.580 1.00 10.00 C ATOM 946 C PRO A 66 -4.567 -12.108 6.729 1.00 10.00 C ATOM 947 O PRO A 66 -4.699 -10.897 6.894 1.00 10.00 O ATOM 948 CB PRO A 66 -6.559 -12.715 5.292 1.00 10.00 C ATOM 949 CG PRO A 66 -7.698 -11.817 5.770 1.00 10.00 C ATOM 950 CD PRO A 66 -8.022 -12.415 7.137 1.00 10.00 C ATOM 0 HA PRO A 66 -5.368 -14.026 6.580 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -5.932 -12.212 4.556 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -6.934 -13.625 4.823 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -7.391 -10.774 5.843 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -8.554 -11.851 5.097 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -8.471 -11.672 7.795 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -8.734 -13.235 7.049 1.00 10.00 H new ATOM 958 N CYS A 67 -3.370 -12.695 6.628 1.00 10.00 N ATOM 959 CA CYS A 67 -2.111 -11.974 6.638 1.00 10.00 C ATOM 960 C CYS A 67 -2.053 -11.119 5.365 1.00 10.00 C ATOM 961 O CYS A 67 -1.633 -11.599 4.308 1.00 10.00 O ATOM 962 CB CYS A 67 -0.958 -12.980 6.658 1.00 10.00 C ATOM 963 SG CYS A 67 0.703 -12.289 6.441 1.00 10.00 S ATOM 0 H CYS A 67 -3.256 -13.704 6.536 1.00 10.00 H new ATOM 0 HA CYS A 67 -2.029 -11.336 7.518 1.00 10.00 H new ATOM 0 HB2 CYS A 67 -0.986 -13.516 7.607 1.00 10.00 H new ATOM 0 HB3 CYS A 67 -1.130 -13.715 5.872 1.00 10.00 H new ATOM 0 HG CYS A 67 1.427 -12.564 7.485 1.00 10.00 H new ATOM 968 N ASN A 68 -2.522 -9.874 5.474 1.00 10.00 N ATOM 969 CA ASN A 68 -2.614 -8.873 4.414 1.00 10.00 C ATOM 970 C ASN A 68 -1.488 -8.960 3.379 1.00 10.00 C ATOM 971 O ASN A 68 -1.773 -9.018 2.184 1.00 10.00 O ATOM 972 CB ASN A 68 -2.736 -7.459 5.009 1.00 10.00 C ATOM 973 CG ASN A 68 -1.486 -6.973 5.746 1.00 10.00 C ATOM 974 OD1 ASN A 68 -0.681 -7.765 6.230 1.00 10.00 O ATOM 975 ND2 ASN A 68 -1.304 -5.660 5.837 1.00 10.00 N ATOM 0 H ASN A 68 -2.870 -9.517 6.364 1.00 10.00 H new ATOM 0 HA ASN A 68 -3.526 -9.097 3.860 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -2.965 -6.759 4.206 1.00 10.00 H new ATOM 0 HB3 ASN A 68 -3.580 -7.440 5.699 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -0.483 -5.291 6.316 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -1.986 -5.021 5.428 1.00 10.00 H new ATOM 982 N LYS A 69 -0.228 -8.982 3.826 1.00 10.00 N ATOM 983 CA LYS A 69 0.962 -9.055 2.984 1.00 10.00 C ATOM 984 C LYS A 69 0.828 -10.090 1.863 1.00 10.00 C ATOM 985 O LYS A 69 1.164 -9.796 0.718 1.00 10.00 O ATOM 986 CB LYS A 69 2.189 -9.343 3.861 1.00 10.00 C ATOM 987 CG LYS A 69 3.484 -9.402 3.037 1.00 10.00 C ATOM 988 CD LYS A 69 4.693 -9.560 3.965 1.00 10.00 C ATOM 989 CE LYS A 69 6.009 -9.706 3.190 1.00 10.00 C ATOM 990 NZ LYS A 69 6.059 -10.956 2.410 1.00 10.00 N ATOM 0 H LYS A 69 -0.005 -8.948 4.821 1.00 10.00 H new ATOM 0 HA LYS A 69 1.085 -8.091 2.491 1.00 10.00 H new ATOM 0 HB2 LYS A 69 2.279 -8.569 4.623 1.00 10.00 H new ATOM 0 HB3 LYS A 69 2.048 -10.290 4.383 1.00 10.00 H new ATOM 0 HG2 LYS A 69 3.441 -10.237 2.338 1.00 10.00 H new ATOM 0 HG3 LYS A 69 3.588 -8.494 2.443 1.00 10.00 H new ATOM 0 HD2 LYS A 69 4.757 -8.695 4.625 1.00 10.00 H new ATOM 0 HD3 LYS A 69 4.549 -10.435 4.599 1.00 10.00 H new ATOM 0 HE2 LYS A 69 6.130 -8.856 2.519 1.00 10.00 H new ATOM 0 HE3 LYS A 69 6.845 -9.682 3.889 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 7.017 -11.088 2.027 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 5.819 -11.759 3.025 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 5.377 -10.904 1.627 1.00 10.00 H new ATOM 1004 N CYS A 70 0.336 -11.290 2.185 1.00 10.00 N ATOM 1005 CA CYS A 70 0.131 -12.357 1.208 1.00 10.00 C ATOM 1006 C CYS A 70 -1.359 -12.613 1.003 1.00 10.00 C ATOM 1007 O CYS A 70 -1.727 -13.666 0.494 1.00 10.00 O ATOM 1008 CB CYS A 70 0.818 -13.640 1.684 1.00 10.00 C ATOM 1009 SG CYS A 70 0.204 -14.268 3.262 1.00 10.00 S ATOM 0 H CYS A 70 0.068 -11.547 3.135 1.00 10.00 H new ATOM 0 HA CYS A 70 0.567 -12.047 0.258 1.00 10.00 H new ATOM 0 HB2 CYS A 70 0.689 -14.411 0.924 1.00 10.00 H new ATOM 0 HB3 CYS A 70 1.889 -13.454 1.772 1.00 10.00 H new ATOM 0 HG CYS A 70 0.491 -13.423 4.207 1.00 10.00 H new ATOM 1014 N HIS A 71 -2.226 -11.692 1.433 1.00 10.00 N ATOM 1015 CA HIS A 71 -3.674 -11.827 1.348 1.00 10.00 C ATOM 1016 C HIS A 71 -4.128 -13.136 2.006 1.00 10.00 C ATOM 1017 O HIS A 71 -5.074 -13.776 1.556 1.00 10.00 O ATOM 1018 CB HIS A 71 -4.111 -11.762 -0.121 1.00 10.00 C ATOM 1019 CG HIS A 71 -3.649 -10.536 -0.876 1.00 10.00 C ATOM 1020 ND1 HIS A 71 -2.948 -9.460 -0.368 1.00 10.00 N ATOM 1021 CD2 HIS A 71 -3.836 -10.307 -2.213 1.00 10.00 C ATOM 1022 CE1 HIS A 71 -2.719 -8.611 -1.384 1.00 10.00 C ATOM 1023 NE2 HIS A 71 -3.244 -9.080 -2.527 1.00 10.00 N ATOM 0 H HIS A 71 -1.929 -10.814 1.859 1.00 10.00 H new ATOM 0 HA HIS A 71 -4.147 -11.005 1.886 1.00 10.00 H new ATOM 0 HB2 HIS A 71 -3.737 -12.648 -0.634 1.00 10.00 H new ATOM 0 HB3 HIS A 71 -5.199 -11.806 -0.162 1.00 10.00 H new ATOM 0 HD1 HIS A 71 -2.657 -9.333 0.601 1.00 10.00 H new ATOM 0 HD2 HIS A 71 -4.350 -10.959 -2.903 1.00 10.00 H new ATOM 0 HE1 HIS A 71 -2.184 -7.677 -1.293 1.00 10.00 H new ATOM 1031 N GLY A 72 -3.435 -13.553 3.068 1.00 10.00 N ATOM 1032 CA GLY A 72 -3.732 -14.804 3.747 1.00 10.00 C ATOM 1033 C GLY A 72 -3.485 -16.052 2.889 1.00 10.00 C ATOM 1034 O GLY A 72 -3.925 -17.137 3.262 1.00 10.00 O ATOM 0 H GLY A 72 -2.658 -13.033 3.475 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -3.124 -14.869 4.649 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -4.774 -14.795 4.065 1.00 10.00 H new ATOM 1038 N HIS A 73 -2.757 -15.938 1.769 1.00 10.00 N ATOM 1039 CA HIS A 73 -2.422 -17.063 0.895 1.00 10.00 C ATOM 1040 C HIS A 73 -1.285 -17.918 1.477 1.00 10.00 C ATOM 1041 O HIS A 73 -0.905 -18.938 0.908 1.00 10.00 O ATOM 1042 CB HIS A 73 -2.065 -16.533 -0.500 1.00 10.00 C ATOM 1043 CG HIS A 73 -1.883 -17.616 -1.533 1.00 10.00 C ATOM 1044 ND1 HIS A 73 -0.680 -18.031 -2.056 1.00 10.00 N ATOM 1045 CD2 HIS A 73 -2.863 -18.418 -2.053 1.00 10.00 C ATOM 1046 CE1 HIS A 73 -0.936 -19.060 -2.882 1.00 10.00 C ATOM 1047 NE2 HIS A 73 -2.252 -19.330 -2.920 1.00 10.00 N ATOM 0 H HIS A 73 -2.381 -15.048 1.443 1.00 10.00 H new ATOM 0 HA HIS A 73 -3.292 -17.716 0.817 1.00 10.00 H new ATOM 0 HB2 HIS A 73 -2.850 -15.854 -0.833 1.00 10.00 H new ATOM 0 HB3 HIS A 73 -1.147 -15.949 -0.433 1.00 10.00 H new ATOM 0 HD1 HIS A 73 0.237 -17.632 -1.854 1.00 10.00 H new ATOM 0 HD2 HIS A 73 -3.919 -18.357 -1.833 1.00 10.00 H new ATOM 0 HE1 HIS A 73 -0.184 -19.598 -3.441 1.00 10.00 H new ATOM 1055 N GLY A 74 -0.704 -17.502 2.605 1.00 10.00 N ATOM 1056 CA GLY A 74 0.350 -18.249 3.287 1.00 10.00 C ATOM 1057 C GLY A 74 1.728 -18.122 2.640 1.00 10.00 C ATOM 1058 O GLY A 74 2.726 -17.957 3.342 1.00 10.00 O ATOM 0 H GLY A 74 -0.955 -16.631 3.072 1.00 10.00 H new ATOM 0 HA2 GLY A 74 0.413 -17.906 4.320 1.00 10.00 H new ATOM 0 HA3 GLY A 74 0.071 -19.302 3.318 1.00 10.00 H new ATOM 1062 N ARG A 75 1.797 -18.206 1.313 1.00 10.00 N ATOM 1063 CA ARG A 75 3.036 -18.151 0.555 1.00 10.00 C ATOM 1064 C ARG A 75 2.881 -17.218 -0.643 1.00 10.00 C ATOM 1065 O ARG A 75 1.760 -16.989 -1.101 1.00 10.00 O ATOM 1066 CB ARG A 75 3.455 -19.574 0.172 1.00 10.00 C ATOM 1067 CG ARG A 75 2.457 -20.312 -0.732 1.00 10.00 C ATOM 1068 CD ARG A 75 2.794 -21.807 -0.824 1.00 10.00 C ATOM 1069 NE ARG A 75 4.246 -22.053 -0.902 1.00 10.00 N ATOM 1070 CZ ARG A 75 5.046 -22.463 0.097 1.00 10.00 C ATOM 1071 NH1 ARG A 75 4.560 -22.748 1.310 1.00 10.00 N ATOM 1072 NH2 ARG A 75 6.358 -22.584 -0.121 1.00 10.00 N ATOM 0 H ARG A 75 0.971 -18.317 0.725 1.00 10.00 H new ATOM 0 HA ARG A 75 3.839 -17.732 1.161 1.00 10.00 H new ATOM 0 HB2 ARG A 75 4.420 -19.531 -0.333 1.00 10.00 H new ATOM 0 HB3 ARG A 75 3.598 -20.155 1.083 1.00 10.00 H new ATOM 0 HG2 ARG A 75 1.447 -20.187 -0.341 1.00 10.00 H new ATOM 0 HG3 ARG A 75 2.470 -19.871 -1.729 1.00 10.00 H new ATOM 0 HD2 ARG A 75 2.387 -22.322 0.046 1.00 10.00 H new ATOM 0 HD3 ARG A 75 2.309 -22.233 -1.702 1.00 10.00 H new ATOM 0 HE ARG A 75 4.689 -21.896 -1.807 1.00 10.00 H new ATOM 0 HH11 ARG A 75 3.561 -22.656 1.494 1.00 10.00 H new ATOM 0 HH12 ARG A 75 5.188 -23.057 2.051 1.00 10.00 H new ATOM 0 HH21 ARG A 75 6.745 -22.366 -1.039 1.00 10.00 H new ATOM 0 HH22 ARG A 75 6.973 -22.894 0.631 1.00 10.00 H new ATOM 1086 N VAL A 76 3.998 -16.671 -1.128 1.00 10.00 N ATOM 1087 CA VAL A 76 4.046 -15.719 -2.232 1.00 10.00 C ATOM 1088 C VAL A 76 5.073 -16.173 -3.266 1.00 10.00 C ATOM 1089 O VAL A 76 5.977 -16.945 -2.951 1.00 10.00 O ATOM 1090 CB VAL A 76 4.374 -14.309 -1.705 1.00 10.00 C ATOM 1091 CG1 VAL A 76 3.257 -13.806 -0.784 1.00 10.00 C ATOM 1092 CG2 VAL A 76 5.712 -14.253 -0.954 1.00 10.00 C ATOM 0 H VAL A 76 4.920 -16.887 -0.749 1.00 10.00 H new ATOM 0 HA VAL A 76 3.070 -15.679 -2.715 1.00 10.00 H new ATOM 0 HB VAL A 76 4.456 -13.665 -2.580 1.00 10.00 H new ATOM 0 HG11 VAL A 76 3.506 -12.809 -0.421 1.00 10.00 H new ATOM 0 HG12 VAL A 76 2.319 -13.767 -1.338 1.00 10.00 H new ATOM 0 HG13 VAL A 76 3.151 -14.484 0.063 1.00 10.00 H new ATOM 0 HG21 VAL A 76 5.891 -13.236 -0.605 1.00 10.00 H new ATOM 0 HG22 VAL A 76 5.678 -14.929 -0.099 1.00 10.00 H new ATOM 0 HG23 VAL A 76 6.518 -14.555 -1.623 1.00 10.00 H new ATOM 1102 N GLU A 77 4.939 -15.693 -4.504 1.00 10.00 N ATOM 1103 CA GLU A 77 5.854 -16.034 -5.582 1.00 10.00 C ATOM 1104 C GLU A 77 7.216 -15.386 -5.318 1.00 10.00 C ATOM 1105 O GLU A 77 7.289 -14.240 -4.879 1.00 10.00 O ATOM 1106 CB GLU A 77 5.227 -15.612 -6.922 1.00 10.00 C ATOM 1107 CG GLU A 77 5.859 -16.289 -8.148 1.00 10.00 C ATOM 1108 CD GLU A 77 7.206 -15.691 -8.539 1.00 10.00 C ATOM 1109 OE1 GLU A 77 7.210 -14.496 -8.903 1.00 10.00 O ATOM 1110 OE2 GLU A 77 8.205 -16.438 -8.467 1.00 10.00 O ATOM 0 H GLU A 77 4.191 -15.057 -4.782 1.00 10.00 H new ATOM 0 HA GLU A 77 6.024 -17.110 -5.631 1.00 10.00 H new ATOM 0 HB2 GLU A 77 4.162 -15.842 -6.901 1.00 10.00 H new ATOM 0 HB3 GLU A 77 5.318 -14.531 -7.030 1.00 10.00 H new ATOM 0 HG2 GLU A 77 5.987 -17.352 -7.942 1.00 10.00 H new ATOM 0 HG3 GLU A 77 5.174 -16.208 -8.992 1.00 10.00 H new ATOM 1117 N ARG A 78 8.297 -16.119 -5.591 1.00 10.00 N ATOM 1118 CA ARG A 78 9.677 -15.687 -5.422 1.00 10.00 C ATOM 1119 C ARG A 78 10.069 -14.686 -6.519 1.00 10.00 C ATOM 1120 O ARG A 78 11.036 -14.888 -7.250 1.00 10.00 O ATOM 1121 CB ARG A 78 10.555 -16.948 -5.437 1.00 10.00 C ATOM 1122 CG ARG A 78 11.974 -16.736 -4.898 1.00 10.00 C ATOM 1123 CD ARG A 78 12.674 -18.096 -4.807 1.00 10.00 C ATOM 1124 NE ARG A 78 14.006 -17.973 -4.202 1.00 10.00 N ATOM 1125 CZ ARG A 78 14.639 -18.920 -3.490 1.00 10.00 C ATOM 1126 NH1 ARG A 78 14.043 -20.076 -3.171 1.00 10.00 N ATOM 1127 NH2 ARG A 78 15.895 -18.696 -3.091 1.00 10.00 N ATOM 0 H ARG A 78 8.226 -17.071 -5.951 1.00 10.00 H new ATOM 0 HA ARG A 78 9.814 -15.163 -4.476 1.00 10.00 H new ATOM 0 HB2 ARG A 78 10.067 -17.723 -4.846 1.00 10.00 H new ATOM 0 HB3 ARG A 78 10.619 -17.319 -6.460 1.00 10.00 H new ATOM 0 HG2 ARG A 78 12.531 -16.067 -5.554 1.00 10.00 H new ATOM 0 HG3 ARG A 78 11.939 -16.263 -3.917 1.00 10.00 H new ATOM 0 HD2 ARG A 78 12.066 -18.781 -4.216 1.00 10.00 H new ATOM 0 HD3 ARG A 78 12.764 -18.528 -5.804 1.00 10.00 H new ATOM 0 HE ARG A 78 14.495 -17.088 -4.334 1.00 10.00 H new ATOM 0 HH11 ARG A 78 13.084 -20.255 -3.470 1.00 10.00 H new ATOM 0 HH12 ARG A 78 14.548 -20.778 -2.629 1.00 10.00 H new ATOM 0 HH21 ARG A 78 16.356 -17.818 -3.328 1.00 10.00 H new ATOM 0 HH22 ARG A 78 16.392 -19.403 -2.549 1.00 10.00 H new ATOM 1141 N SER A 79 9.318 -13.592 -6.651 1.00 10.00 N ATOM 1142 CA SER A 79 9.554 -12.581 -7.667 1.00 10.00 C ATOM 1143 C SER A 79 10.952 -11.975 -7.521 1.00 10.00 C ATOM 1144 O SER A 79 11.097 -10.765 -7.358 1.00 10.00 O ATOM 1145 CB SER A 79 8.446 -11.526 -7.570 1.00 10.00 C ATOM 1146 OG SER A 79 7.189 -12.171 -7.480 1.00 10.00 O ATOM 0 H SER A 79 8.522 -13.386 -6.047 1.00 10.00 H new ATOM 0 HA SER A 79 9.521 -13.030 -8.660 1.00 10.00 H new ATOM 0 HB2 SER A 79 8.606 -10.894 -6.697 1.00 10.00 H new ATOM 0 HB3 SER A 79 8.471 -10.875 -8.444 1.00 10.00 H new ATOM 0 HG SER A 79 7.206 -12.995 -8.010 1.00 10.00 H new