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 39 GLN : amide:sc= 1.18 K(o=4.3,f=1.8) USER MOD Set 1.2: A 41 GLN : amide:sc= 0.941 K(o=4.3,f=-0.21) USER MOD Set 1.3: A 50 GLN : amide:sc= 2.16 K(o=4.3,f=0.16) USER MOD Set 2.1: A 31 CYS SG : rot -158:sc= 1.58 USER MOD Set 2.2: A 33 THR OG1 : rot 98:sc= 0.863 USER MOD Set 2.3: A 34 CYS SG : rot -37:sc= -0.247 USER MOD Set 2.4: A 53 CYS SG : rot -109:sc= 0.285 USER MOD Set 2.5: A 56 CYS SG : rot -109:sc= 0.345 USER MOD Set 3.1: A 23 LYS NZ :NH3+ -128:sc= 0.0863 (180deg=-0.323) USER MOD Set 3.2: A 26 THR OG1 : rot -18:sc= 0.699 USER MOD Set 4.1: A 14 CYS SG : rot -141:sc= -0.107 USER MOD Set 4.2: A 17 CYS SG : rot -141:sc= -0.917 USER MOD Set 4.3: A 67 CYS SG : rot 120:sc= 0.45 USER MOD Set 4.4: A 70 CYS SG : rot -65:sc= 0.81 USER MOD Single : A 18 HIS : no HE2:sc= 0.974 K(o=0.97,f=-3.6!) USER MOD Single : A 20 SER OG : rot -61:sc= 1.62 USER MOD Single : A 27 GLN : amide:sc= -0.0502 K(o=-0.05,f=-3.7!) USER MOD Single : A 29 GLN : amide:sc= 1.28 K(o=1.3,f=-7!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0867 USER MOD Single : A 35 HIS : no HE2:sc= 1.01 K(o=1,f=-3.7!) USER MOD Single : A 37 SER OG : rot 86:sc= 0.927 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -1.12 X(o=-1.1,f=-0.85) USER MOD Single : A 51 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0211 USER MOD Single : A 55 HIS : no HE2:sc= 0.592 K(o=0.59,f=-2.8!) USER MOD Single : A 57 GLN : amide:sc=-0.00216 K(o=-0.0022,f=-0.58) USER MOD Single : A 61 THR OG1 : rot 29:sc= 0.494 USER MOD Single : A 64 LYS NZ :NH3+ 172:sc=-0.00657 (180deg=-0.0959) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.027) USER MOD Single : A 71 HIS : no HE2:sc= 1.11 K(o=1.1,f=-3.9!) USER MOD Single : A 73 HIS : no HE2:sc= 0.678 K(o=0.68,f=-3.2!) USER MOD Single : A 79 SER OG : rot -63:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 165 N LEU A 11 6.280 -19.090 -6.393 1.00 10.00 N ATOM 166 CA LEU A 11 5.719 -18.809 -5.081 1.00 10.00 C ATOM 167 C LEU A 11 6.709 -19.128 -3.960 1.00 10.00 C ATOM 168 O LEU A 11 7.291 -20.210 -3.937 1.00 10.00 O ATOM 169 CB LEU A 11 4.421 -19.611 -4.894 1.00 10.00 C ATOM 170 CG LEU A 11 3.415 -19.456 -6.048 1.00 10.00 C ATOM 171 CD1 LEU A 11 2.135 -20.236 -5.735 1.00 10.00 C ATOM 172 CD2 LEU A 11 3.071 -17.987 -6.318 1.00 10.00 C ATOM 0 HA LEU A 11 5.501 -17.742 -5.026 1.00 10.00 H new ATOM 0 HB2 LEU A 11 4.671 -20.666 -4.784 1.00 10.00 H new ATOM 0 HB3 LEU A 11 3.944 -19.298 -3.966 1.00 10.00 H new ATOM 0 HG LEU A 11 3.884 -19.858 -6.946 1.00 10.00 H new ATOM 0 HD11 LEU A 11 1.429 -20.121 -6.557 1.00 10.00 H new ATOM 0 HD12 LEU A 11 2.374 -21.292 -5.607 1.00 10.00 H new ATOM 0 HD13 LEU A 11 1.690 -19.851 -4.817 1.00 10.00 H new ATOM 0 HD21 LEU A 11 2.358 -17.925 -7.140 1.00 10.00 H new ATOM 0 HD22 LEU A 11 2.632 -17.546 -5.423 1.00 10.00 H new ATOM 0 HD23 LEU A 11 3.978 -17.444 -6.583 1.00 10.00 H new ATOM 184 N GLU A 12 6.864 -18.197 -3.014 1.00 10.00 N ATOM 185 CA GLU A 12 7.698 -18.319 -1.832 1.00 10.00 C ATOM 186 C GLU A 12 6.769 -18.407 -0.618 1.00 10.00 C ATOM 187 O GLU A 12 5.896 -17.552 -0.443 1.00 10.00 O ATOM 188 CB GLU A 12 8.634 -17.109 -1.701 1.00 10.00 C ATOM 189 CG GLU A 12 9.675 -17.019 -2.827 1.00 10.00 C ATOM 190 CD GLU A 12 9.081 -16.599 -4.170 1.00 10.00 C ATOM 191 OE1 GLU A 12 8.386 -15.561 -4.187 1.00 10.00 O ATOM 192 OE2 GLU A 12 9.352 -17.317 -5.158 1.00 10.00 O ATOM 0 H GLU A 12 6.385 -17.298 -3.061 1.00 10.00 H new ATOM 0 HA GLU A 12 8.323 -19.209 -1.902 1.00 10.00 H new ATOM 0 HB2 GLU A 12 8.038 -16.197 -1.694 1.00 10.00 H new ATOM 0 HB3 GLU A 12 9.150 -17.160 -0.742 1.00 10.00 H new ATOM 0 HG2 GLU A 12 10.448 -16.306 -2.541 1.00 10.00 H new ATOM 0 HG3 GLU A 12 10.161 -17.988 -2.940 1.00 10.00 H new ATOM 199 N GLU A 13 6.962 -19.444 0.203 1.00 10.00 N ATOM 200 CA GLU A 13 6.185 -19.707 1.407 1.00 10.00 C ATOM 201 C GLU A 13 6.268 -18.504 2.351 1.00 10.00 C ATOM 202 O GLU A 13 7.364 -18.058 2.693 1.00 10.00 O ATOM 203 CB GLU A 13 6.735 -20.976 2.082 1.00 10.00 C ATOM 204 CG GLU A 13 5.833 -21.525 3.199 1.00 10.00 C ATOM 205 CD GLU A 13 4.714 -22.413 2.658 1.00 10.00 C ATOM 206 OE1 GLU A 13 3.873 -21.886 1.897 1.00 10.00 O ATOM 207 OE2 GLU A 13 4.704 -23.608 3.029 1.00 10.00 O ATOM 0 H GLU A 13 7.687 -20.142 0.038 1.00 10.00 H new ATOM 0 HA GLU A 13 5.137 -19.864 1.153 1.00 10.00 H new ATOM 0 HB2 GLU A 13 6.872 -21.749 1.325 1.00 10.00 H new ATOM 0 HB3 GLU A 13 7.719 -20.758 2.497 1.00 10.00 H new ATOM 0 HG2 GLU A 13 6.438 -22.096 3.904 1.00 10.00 H new ATOM 0 HG3 GLU A 13 5.398 -20.693 3.753 1.00 10.00 H new ATOM 214 N CYS A 14 5.124 -17.979 2.793 1.00 10.00 N ATOM 215 CA CYS A 14 5.116 -16.833 3.686 1.00 10.00 C ATOM 216 C CYS A 14 5.442 -17.279 5.116 1.00 10.00 C ATOM 217 O CYS A 14 4.548 -17.522 5.931 1.00 10.00 O ATOM 218 CB CYS A 14 3.778 -16.108 3.600 1.00 10.00 C ATOM 219 SG CYS A 14 3.777 -14.505 4.445 1.00 10.00 S ATOM 0 H CYS A 14 4.199 -18.331 2.546 1.00 10.00 H new ATOM 0 HA CYS A 14 5.888 -16.127 3.380 1.00 10.00 H new ATOM 0 HB2 CYS A 14 3.520 -15.959 2.552 1.00 10.00 H new ATOM 0 HB3 CYS A 14 3.002 -16.739 4.032 1.00 10.00 H new ATOM 0 HG CYS A 14 2.636 -14.331 5.044 1.00 10.00 H new ATOM 224 N ASP A 15 6.739 -17.370 5.417 1.00 10.00 N ATOM 225 CA ASP A 15 7.278 -17.743 6.724 1.00 10.00 C ATOM 226 C ASP A 15 6.584 -16.983 7.862 1.00 10.00 C ATOM 227 O ASP A 15 6.300 -17.563 8.909 1.00 10.00 O ATOM 228 CB ASP A 15 8.797 -17.519 6.755 1.00 10.00 C ATOM 229 CG ASP A 15 9.178 -16.039 6.756 1.00 10.00 C ATOM 230 OD1 ASP A 15 8.751 -15.343 5.810 1.00 10.00 O ATOM 231 OD2 ASP A 15 9.864 -15.628 7.715 1.00 10.00 O ATOM 0 H ASP A 15 7.469 -17.179 4.731 1.00 10.00 H new ATOM 0 HA ASP A 15 7.079 -18.803 6.880 1.00 10.00 H new ATOM 0 HB2 ASP A 15 9.212 -17.997 7.642 1.00 10.00 H new ATOM 0 HB3 ASP A 15 9.249 -18.005 5.890 1.00 10.00 H new ATOM 236 N VAL A 16 6.282 -15.702 7.634 1.00 10.00 N ATOM 237 CA VAL A 16 5.585 -14.811 8.558 1.00 10.00 C ATOM 238 C VAL A 16 4.307 -15.456 9.114 1.00 10.00 C ATOM 239 O VAL A 16 4.019 -15.298 10.298 1.00 10.00 O ATOM 240 CB VAL A 16 5.324 -13.473 7.839 1.00 10.00 C ATOM 241 CG1 VAL A 16 4.509 -12.494 8.684 1.00 10.00 C ATOM 242 CG2 VAL A 16 6.648 -12.790 7.466 1.00 10.00 C ATOM 0 H VAL A 16 6.529 -15.239 6.759 1.00 10.00 H new ATOM 0 HA VAL A 16 6.207 -14.619 9.432 1.00 10.00 H new ATOM 0 HB VAL A 16 4.751 -13.723 6.946 1.00 10.00 H new ATOM 0 HG11 VAL A 16 4.357 -11.570 8.126 1.00 10.00 H new ATOM 0 HG12 VAL A 16 3.542 -12.937 8.923 1.00 10.00 H new ATOM 0 HG13 VAL A 16 5.046 -12.276 9.607 1.00 10.00 H new ATOM 0 HG21 VAL A 16 6.441 -11.847 6.959 1.00 10.00 H new ATOM 0 HG22 VAL A 16 7.225 -12.597 8.370 1.00 10.00 H new ATOM 0 HG23 VAL A 16 7.219 -13.440 6.803 1.00 10.00 H new ATOM 252 N CYS A 17 3.564 -16.203 8.289 1.00 10.00 N ATOM 253 CA CYS A 17 2.363 -16.919 8.721 1.00 10.00 C ATOM 254 C CYS A 17 2.584 -18.434 8.650 1.00 10.00 C ATOM 255 O CYS A 17 1.626 -19.204 8.575 1.00 10.00 O ATOM 256 CB CYS A 17 1.175 -16.495 7.864 1.00 10.00 C ATOM 257 SG CYS A 17 1.328 -16.770 6.095 1.00 10.00 S ATOM 0 H CYS A 17 3.781 -16.327 7.300 1.00 10.00 H new ATOM 0 HA CYS A 17 2.149 -16.665 9.759 1.00 10.00 H new ATOM 0 HB2 CYS A 17 0.292 -17.027 8.217 1.00 10.00 H new ATOM 0 HB3 CYS A 17 0.995 -15.433 8.030 1.00 10.00 H new ATOM 0 HG CYS A 17 0.803 -15.769 5.453 1.00 10.00 H new ATOM 262 N HIS A 18 3.847 -18.867 8.623 1.00 10.00 N ATOM 263 CA HIS A 18 4.255 -20.262 8.521 1.00 10.00 C ATOM 264 C HIS A 18 3.551 -20.922 7.332 1.00 10.00 C ATOM 265 O HIS A 18 3.168 -22.091 7.373 1.00 10.00 O ATOM 266 CB HIS A 18 4.009 -20.986 9.851 1.00 10.00 C ATOM 267 CG HIS A 18 4.713 -20.375 11.042 1.00 10.00 C ATOM 268 ND1 HIS A 18 5.577 -19.300 11.037 1.00 10.00 N ATOM 269 CD2 HIS A 18 4.597 -20.801 12.339 1.00 10.00 C ATOM 270 CE1 HIS A 18 5.965 -19.086 12.305 1.00 10.00 C ATOM 271 NE2 HIS A 18 5.399 -19.977 13.135 1.00 10.00 N ATOM 0 H HIS A 18 4.640 -18.228 8.674 1.00 10.00 H new ATOM 0 HA HIS A 18 5.326 -20.327 8.330 1.00 10.00 H new ATOM 0 HB2 HIS A 18 2.937 -21.001 10.048 1.00 10.00 H new ATOM 0 HB3 HIS A 18 4.329 -22.023 9.749 1.00 10.00 H new ATOM 0 HD1 HIS A 18 5.868 -18.765 10.219 1.00 10.00 H new ATOM 0 HD2 HIS A 18 3.993 -21.627 12.685 1.00 10.00 H new ATOM 0 HE1 HIS A 18 6.641 -18.303 12.615 1.00 10.00 H new ATOM 279 N GLY A 19 3.377 -20.144 6.262 1.00 10.00 N ATOM 280 CA GLY A 19 2.737 -20.570 5.036 1.00 10.00 C ATOM 281 C GLY A 19 1.229 -20.818 5.130 1.00 10.00 C ATOM 282 O GLY A 19 0.631 -21.235 4.140 1.00 10.00 O ATOM 0 H GLY A 19 3.690 -19.174 6.233 1.00 10.00 H new ATOM 0 HA2 GLY A 19 2.916 -19.814 4.272 1.00 10.00 H new ATOM 0 HA3 GLY A 19 3.218 -21.487 4.696 1.00 10.00 H new ATOM 286 N SER A 20 0.587 -20.565 6.278 1.00 10.00 N ATOM 287 CA SER A 20 -0.850 -20.783 6.388 1.00 10.00 C ATOM 288 C SER A 20 -1.594 -19.665 5.664 1.00 10.00 C ATOM 289 O SER A 20 -2.294 -19.874 4.680 1.00 10.00 O ATOM 290 CB SER A 20 -1.284 -20.869 7.861 1.00 10.00 C ATOM 291 OG SER A 20 -1.031 -19.671 8.583 1.00 10.00 O ATOM 0 H SER A 20 1.035 -20.216 7.125 1.00 10.00 H new ATOM 0 HA SER A 20 -1.099 -21.735 5.918 1.00 10.00 H new ATOM 0 HB2 SER A 20 -2.349 -21.098 7.908 1.00 10.00 H new ATOM 0 HB3 SER A 20 -0.759 -21.695 8.342 1.00 10.00 H new ATOM 0 HG SER A 20 -0.070 -19.481 8.575 1.00 10.00 H new ATOM 297 N GLY A 21 -1.444 -18.473 6.232 1.00 10.00 N ATOM 298 CA GLY A 21 -2.095 -17.239 5.850 1.00 10.00 C ATOM 299 C GLY A 21 -2.543 -16.479 7.102 1.00 10.00 C ATOM 300 O GLY A 21 -2.957 -15.332 6.979 1.00 10.00 O ATOM 0 H GLY A 21 -0.819 -18.342 7.027 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -1.412 -16.623 5.265 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -2.955 -17.452 5.216 1.00 10.00 H new ATOM 304 N ALA A 22 -2.483 -17.086 8.296 1.00 10.00 N ATOM 305 CA ALA A 22 -2.894 -16.426 9.531 1.00 10.00 C ATOM 306 C ALA A 22 -1.870 -15.372 9.951 1.00 10.00 C ATOM 307 O ALA A 22 -0.670 -15.612 9.856 1.00 10.00 O ATOM 308 CB ALA A 22 -3.049 -17.466 10.641 1.00 10.00 C ATOM 0 H ALA A 22 -2.150 -18.041 8.426 1.00 10.00 H new ATOM 0 HA ALA A 22 -3.848 -15.929 9.358 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -3.356 -16.972 11.563 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.805 -18.197 10.352 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.097 -17.972 10.801 1.00 10.00 H new ATOM 314 N LYS A 23 -2.315 -14.211 10.438 1.00 10.00 N ATOM 315 CA LYS A 23 -1.388 -13.187 10.918 1.00 10.00 C ATOM 316 C LYS A 23 -0.478 -13.790 12.010 1.00 10.00 C ATOM 317 O LYS A 23 -0.946 -14.654 12.752 1.00 10.00 O ATOM 318 CB LYS A 23 -2.149 -11.938 11.399 1.00 10.00 C ATOM 319 CG LYS A 23 -3.086 -12.244 12.574 1.00 10.00 C ATOM 320 CD LYS A 23 -3.841 -11.018 13.102 1.00 10.00 C ATOM 321 CE LYS A 23 -2.961 -10.078 13.936 1.00 10.00 C ATOM 322 NZ LYS A 23 -2.445 -10.742 15.148 1.00 10.00 N ATOM 0 H LYS A 23 -3.301 -13.959 10.510 1.00 10.00 H new ATOM 0 HA LYS A 23 -0.750 -12.856 10.099 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.433 -11.172 11.698 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -2.729 -11.528 10.572 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -3.809 -12.998 12.262 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -2.504 -12.678 13.387 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -4.256 -10.464 12.260 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -4.682 -11.352 13.709 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -2.126 -9.729 13.329 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -3.538 -9.198 14.221 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -2.658 -10.157 15.981 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -2.897 -11.673 15.253 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -1.416 -10.865 15.065 1.00 10.00 H new ATOM 336 N PRO A 24 0.795 -13.363 12.119 1.00 10.00 N ATOM 337 CA PRO A 24 1.779 -13.874 13.069 1.00 10.00 C ATOM 338 C PRO A 24 1.221 -14.332 14.422 1.00 10.00 C ATOM 339 O PRO A 24 1.270 -15.515 14.747 1.00 10.00 O ATOM 340 CB PRO A 24 2.810 -12.752 13.212 1.00 10.00 C ATOM 341 CG PRO A 24 2.866 -12.226 11.782 1.00 10.00 C ATOM 342 CD PRO A 24 1.417 -12.334 11.297 1.00 10.00 C ATOM 0 HA PRO A 24 2.209 -14.799 12.685 1.00 10.00 H new ATOM 0 HB2 PRO A 24 2.492 -11.987 13.921 1.00 10.00 H new ATOM 0 HB3 PRO A 24 3.777 -13.121 13.554 1.00 10.00 H new ATOM 0 HG2 PRO A 24 3.224 -11.197 11.748 1.00 10.00 H new ATOM 0 HG3 PRO A 24 3.540 -12.819 11.164 1.00 10.00 H new ATOM 0 HD2 PRO A 24 0.897 -11.382 11.404 1.00 10.00 H new ATOM 0 HD3 PRO A 24 1.378 -12.601 10.241 1.00 10.00 H new ATOM 350 N GLY A 25 0.693 -13.407 15.227 1.00 10.00 N ATOM 351 CA GLY A 25 0.178 -13.727 16.551 1.00 10.00 C ATOM 352 C GLY A 25 -1.237 -14.304 16.520 1.00 10.00 C ATOM 353 O GLY A 25 -2.078 -13.894 17.321 1.00 10.00 O ATOM 0 H GLY A 25 0.613 -12.421 14.977 1.00 10.00 H new ATOM 0 HA2 GLY A 25 0.845 -14.443 17.031 1.00 10.00 H new ATOM 0 HA3 GLY A 25 0.183 -12.826 17.164 1.00 10.00 H new ATOM 357 N THR A 26 -1.528 -15.238 15.612 1.00 10.00 N ATOM 358 CA THR A 26 -2.834 -15.873 15.476 1.00 10.00 C ATOM 359 C THR A 26 -2.637 -17.209 14.754 1.00 10.00 C ATOM 360 O THR A 26 -1.635 -17.402 14.070 1.00 10.00 O ATOM 361 CB THR A 26 -3.802 -14.942 14.719 1.00 10.00 C ATOM 362 OG1 THR A 26 -3.836 -13.653 15.306 1.00 10.00 O ATOM 363 CG2 THR A 26 -5.249 -15.443 14.703 1.00 10.00 C ATOM 0 H THR A 26 -0.844 -15.579 14.937 1.00 10.00 H new ATOM 0 HA THR A 26 -3.279 -16.060 16.453 1.00 10.00 H new ATOM 0 HB THR A 26 -3.414 -14.918 13.701 1.00 10.00 H new ATOM 0 HG1 THR A 26 -3.477 -13.699 16.217 1.00 10.00 H new ATOM 0 HG21 THR A 26 -5.872 -14.738 14.153 1.00 10.00 H new ATOM 0 HG22 THR A 26 -5.291 -16.418 14.218 1.00 10.00 H new ATOM 0 HG23 THR A 26 -5.615 -15.530 15.726 1.00 10.00 H new ATOM 371 N GLN A 27 -3.591 -18.131 14.909 1.00 10.00 N ATOM 372 CA GLN A 27 -3.589 -19.450 14.292 1.00 10.00 C ATOM 373 C GLN A 27 -4.729 -19.515 13.270 1.00 10.00 C ATOM 374 O GLN A 27 -5.768 -18.887 13.489 1.00 10.00 O ATOM 375 CB GLN A 27 -3.708 -20.550 15.367 1.00 10.00 C ATOM 376 CG GLN A 27 -4.983 -20.506 16.228 1.00 10.00 C ATOM 377 CD GLN A 27 -4.972 -19.364 17.241 1.00 10.00 C ATOM 378 OE1 GLN A 27 -5.467 -18.276 16.962 1.00 10.00 O ATOM 379 NE2 GLN A 27 -4.383 -19.584 18.412 1.00 10.00 N ATOM 0 H GLN A 27 -4.414 -17.968 15.490 1.00 10.00 H new ATOM 0 HA GLN A 27 -2.647 -19.622 13.772 1.00 10.00 H new ATOM 0 HB2 GLN A 27 -3.658 -21.521 14.874 1.00 10.00 H new ATOM 0 HB3 GLN A 27 -2.843 -20.482 16.027 1.00 10.00 H new ATOM 0 HG2 GLN A 27 -5.852 -20.401 15.578 1.00 10.00 H new ATOM 0 HG3 GLN A 27 -5.093 -21.453 16.756 1.00 10.00 H new ATOM 0 HE21 GLN A 27 -3.980 -20.499 18.616 1.00 10.00 H new ATOM 0 HE22 GLN A 27 -4.334 -18.838 19.106 1.00 10.00 H new ATOM 388 N PRO A 28 -4.571 -20.261 12.164 1.00 10.00 N ATOM 389 CA PRO A 28 -5.615 -20.407 11.170 1.00 10.00 C ATOM 390 C PRO A 28 -6.680 -21.343 11.762 1.00 10.00 C ATOM 391 O PRO A 28 -6.415 -22.046 12.738 1.00 10.00 O ATOM 392 CB PRO A 28 -4.881 -20.903 9.929 1.00 10.00 C ATOM 393 CG PRO A 28 -3.838 -21.835 10.542 1.00 10.00 C ATOM 394 CD PRO A 28 -3.422 -21.076 11.798 1.00 10.00 C ATOM 0 HA PRO A 28 -6.164 -19.507 10.892 1.00 10.00 H new ATOM 0 HB2 PRO A 28 -5.545 -21.427 9.242 1.00 10.00 H new ATOM 0 HB3 PRO A 28 -4.423 -20.087 9.370 1.00 10.00 H new ATOM 0 HG2 PRO A 28 -4.256 -22.814 10.778 1.00 10.00 H new ATOM 0 HG3 PRO A 28 -2.996 -22.001 9.870 1.00 10.00 H new ATOM 0 HD2 PRO A 28 -3.158 -21.764 12.601 1.00 10.00 H new ATOM 0 HD3 PRO A 28 -2.546 -20.455 11.608 1.00 10.00 H new ATOM 402 N GLN A 29 -7.903 -21.317 11.230 1.00 10.00 N ATOM 403 CA GLN A 29 -9.041 -22.023 11.815 1.00 10.00 C ATOM 404 C GLN A 29 -9.395 -23.276 11.012 1.00 10.00 C ATOM 405 O GLN A 29 -9.594 -23.166 9.811 1.00 10.00 O ATOM 406 CB GLN A 29 -10.225 -21.048 11.883 1.00 10.00 C ATOM 407 CG GLN A 29 -9.861 -19.722 12.582 1.00 10.00 C ATOM 408 CD GLN A 29 -9.163 -18.710 11.667 1.00 10.00 C ATOM 409 OE1 GLN A 29 -9.645 -18.406 10.581 1.00 10.00 O ATOM 410 NE2 GLN A 29 -8.005 -18.188 12.062 1.00 10.00 N ATOM 0 H GLN A 29 -8.131 -20.804 10.379 1.00 10.00 H new ATOM 0 HA GLN A 29 -8.786 -22.364 12.818 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -10.576 -20.838 10.873 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -11.050 -21.521 12.415 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -10.770 -19.271 12.980 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -9.213 -19.936 13.432 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -7.611 -18.446 12.967 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -7.511 -17.529 11.460 1.00 10.00 H new ATOM 419 N THR A 30 -9.472 -24.457 11.639 1.00 10.00 N ATOM 420 CA THR A 30 -9.777 -25.732 10.990 1.00 10.00 C ATOM 421 C THR A 30 -10.807 -25.602 9.869 1.00 10.00 C ATOM 422 O THR A 30 -11.954 -25.242 10.123 1.00 10.00 O ATOM 423 CB THR A 30 -10.296 -26.720 12.042 1.00 10.00 C ATOM 424 OG1 THR A 30 -9.561 -26.529 13.239 1.00 10.00 O ATOM 425 CG2 THR A 30 -10.130 -28.162 11.544 1.00 10.00 C ATOM 0 H THR A 30 -9.318 -24.551 12.643 1.00 10.00 H new ATOM 0 HA THR A 30 -8.854 -26.091 10.535 1.00 10.00 H new ATOM 0 HB THR A 30 -11.356 -26.543 12.224 1.00 10.00 H new ATOM 0 HG1 THR A 30 -9.882 -27.153 13.923 1.00 10.00 H new ATOM 0 HG21 THR A 30 -10.502 -28.853 12.300 1.00 10.00 H new ATOM 0 HG22 THR A 30 -10.694 -28.295 10.621 1.00 10.00 H new ATOM 0 HG23 THR A 30 -9.075 -28.363 11.357 1.00 10.00 H new ATOM 433 N CYS A 31 -10.413 -25.909 8.632 1.00 10.00 N ATOM 434 CA CYS A 31 -11.317 -25.836 7.502 1.00 10.00 C ATOM 435 C CYS A 31 -12.282 -27.020 7.555 1.00 10.00 C ATOM 436 O CYS A 31 -11.835 -28.163 7.426 1.00 10.00 O ATOM 437 CB CYS A 31 -10.514 -25.851 6.205 1.00 10.00 C ATOM 438 SG CYS A 31 -11.533 -25.622 4.725 1.00 10.00 S ATOM 0 H CYS A 31 -9.468 -26.211 8.395 1.00 10.00 H new ATOM 0 HA CYS A 31 -11.892 -24.911 7.541 1.00 10.00 H new ATOM 0 HB2 CYS A 31 -9.761 -25.064 6.244 1.00 10.00 H new ATOM 0 HB3 CYS A 31 -9.981 -26.799 6.127 1.00 10.00 H new ATOM 0 HG CYS A 31 -10.906 -26.094 3.689 1.00 10.00 H new ATOM 443 N PRO A 32 -13.592 -26.796 7.731 1.00 10.00 N ATOM 444 CA PRO A 32 -14.543 -27.884 7.825 1.00 10.00 C ATOM 445 C PRO A 32 -14.708 -28.573 6.469 1.00 10.00 C ATOM 446 O PRO A 32 -14.918 -29.781 6.431 1.00 10.00 O ATOM 447 CB PRO A 32 -15.822 -27.247 8.365 1.00 10.00 C ATOM 448 CG PRO A 32 -15.766 -25.828 7.804 1.00 10.00 C ATOM 449 CD PRO A 32 -14.271 -25.512 7.854 1.00 10.00 C ATOM 0 HA PRO A 32 -14.221 -28.684 8.491 1.00 10.00 H new ATOM 0 HB2 PRO A 32 -16.711 -27.779 8.027 1.00 10.00 H new ATOM 0 HB3 PRO A 32 -15.844 -27.249 9.455 1.00 10.00 H new ATOM 0 HG2 PRO A 32 -16.158 -25.777 6.788 1.00 10.00 H new ATOM 0 HG3 PRO A 32 -16.349 -25.130 8.406 1.00 10.00 H new ATOM 0 HD2 PRO A 32 -13.986 -24.839 7.045 1.00 10.00 H new ATOM 0 HD3 PRO A 32 -14.006 -25.017 8.788 1.00 10.00 H new ATOM 457 N THR A 33 -14.575 -27.836 5.360 1.00 10.00 N ATOM 458 CA THR A 33 -14.678 -28.344 3.997 1.00 10.00 C ATOM 459 C THR A 33 -13.843 -29.617 3.791 1.00 10.00 C ATOM 460 O THR A 33 -14.318 -30.576 3.190 1.00 10.00 O ATOM 461 CB THR A 33 -14.250 -27.218 3.041 1.00 10.00 C ATOM 462 OG1 THR A 33 -14.585 -25.966 3.616 1.00 10.00 O ATOM 463 CG2 THR A 33 -14.909 -27.325 1.663 1.00 10.00 C ATOM 0 H THR A 33 -14.386 -26.834 5.394 1.00 10.00 H new ATOM 0 HA THR A 33 -15.708 -28.635 3.790 1.00 10.00 H new ATOM 0 HB THR A 33 -13.174 -27.310 2.896 1.00 10.00 H new ATOM 0 HG1 THR A 33 -13.793 -25.581 4.046 1.00 10.00 H new ATOM 0 HG21 THR A 33 -14.569 -26.504 1.032 1.00 10.00 H new ATOM 0 HG22 THR A 33 -14.636 -28.274 1.202 1.00 10.00 H new ATOM 0 HG23 THR A 33 -15.992 -27.274 1.773 1.00 10.00 H new ATOM 471 N CYS A 34 -12.609 -29.630 4.314 1.00 10.00 N ATOM 472 CA CYS A 34 -11.710 -30.783 4.265 1.00 10.00 C ATOM 473 C CYS A 34 -11.565 -31.435 5.646 1.00 10.00 C ATOM 474 O CYS A 34 -10.687 -32.271 5.843 1.00 10.00 O ATOM 475 CB CYS A 34 -10.342 -30.387 3.680 1.00 10.00 C ATOM 476 SG CYS A 34 -9.620 -28.795 4.160 1.00 10.00 S ATOM 0 H CYS A 34 -12.204 -28.824 4.790 1.00 10.00 H new ATOM 0 HA CYS A 34 -12.152 -31.526 3.601 1.00 10.00 H new ATOM 0 HB2 CYS A 34 -9.629 -31.167 3.947 1.00 10.00 H new ATOM 0 HB3 CYS A 34 -10.432 -30.396 2.594 1.00 10.00 H new ATOM 0 HG CYS A 34 -10.563 -27.906 4.269 1.00 10.00 H new ATOM 481 N HIS A 35 -12.404 -31.063 6.616 1.00 10.00 N ATOM 482 CA HIS A 35 -12.357 -31.572 7.984 1.00 10.00 C ATOM 483 C HIS A 35 -10.940 -31.424 8.562 1.00 10.00 C ATOM 484 O HIS A 35 -10.453 -32.307 9.260 1.00 10.00 O ATOM 485 CB HIS A 35 -12.820 -33.040 8.041 1.00 10.00 C ATOM 486 CG HIS A 35 -14.046 -33.396 7.230 1.00 10.00 C ATOM 487 ND1 HIS A 35 -15.008 -32.535 6.751 1.00 10.00 N ATOM 488 CD2 HIS A 35 -14.355 -34.649 6.773 1.00 10.00 C ATOM 489 CE1 HIS A 35 -15.873 -33.257 6.019 1.00 10.00 C ATOM 490 NE2 HIS A 35 -15.520 -34.553 6.005 1.00 10.00 N ATOM 0 H HIS A 35 -13.151 -30.384 6.466 1.00 10.00 H new ATOM 0 HA HIS A 35 -13.041 -30.981 8.593 1.00 10.00 H new ATOM 0 HB2 HIS A 35 -11.996 -33.670 7.707 1.00 10.00 H new ATOM 0 HB3 HIS A 35 -13.015 -33.296 9.083 1.00 10.00 H new ATOM 0 HD1 HIS A 35 -15.055 -31.530 6.921 1.00 10.00 H new ATOM 0 HD2 HIS A 35 -13.797 -35.553 6.971 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -16.735 -32.851 5.511 1.00 10.00 H new ATOM 498 N GLY A 36 -10.256 -30.322 8.242 1.00 10.00 N ATOM 499 CA GLY A 36 -8.886 -30.085 8.678 1.00 10.00 C ATOM 500 C GLY A 36 -7.836 -30.907 7.914 1.00 10.00 C ATOM 501 O GLY A 36 -6.643 -30.677 8.087 1.00 10.00 O ATOM 0 H GLY A 36 -10.642 -29.570 7.671 1.00 10.00 H new ATOM 0 HA2 GLY A 36 -8.657 -29.026 8.563 1.00 10.00 H new ATOM 0 HA3 GLY A 36 -8.809 -30.314 9.741 1.00 10.00 H new ATOM 505 N SER A 37 -8.247 -31.860 7.071 1.00 10.00 N ATOM 506 CA SER A 37 -7.356 -32.759 6.344 1.00 10.00 C ATOM 507 C SER A 37 -6.564 -32.091 5.217 1.00 10.00 C ATOM 508 O SER A 37 -5.714 -32.739 4.615 1.00 10.00 O ATOM 509 CB SER A 37 -8.159 -33.935 5.767 1.00 10.00 C ATOM 510 OG SER A 37 -9.150 -34.370 6.678 1.00 10.00 O ATOM 0 H SER A 37 -9.233 -32.029 6.873 1.00 10.00 H new ATOM 0 HA SER A 37 -6.623 -33.101 7.075 1.00 10.00 H new ATOM 0 HB2 SER A 37 -8.628 -33.634 4.830 1.00 10.00 H new ATOM 0 HB3 SER A 37 -7.486 -34.760 5.536 1.00 10.00 H new ATOM 0 HG SER A 37 -9.960 -33.830 6.563 1.00 10.00 H new ATOM 516 N GLY A 38 -6.861 -30.835 4.871 1.00 10.00 N ATOM 517 CA GLY A 38 -6.166 -30.136 3.793 1.00 10.00 C ATOM 518 C GLY A 38 -6.697 -30.472 2.399 1.00 10.00 C ATOM 519 O GLY A 38 -6.479 -29.709 1.459 1.00 10.00 O ATOM 0 H GLY A 38 -7.585 -30.280 5.328 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -6.251 -29.061 3.955 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -5.105 -30.382 3.837 1.00 10.00 H new ATOM 523 N GLN A 39 -7.417 -31.585 2.249 1.00 10.00 N ATOM 524 CA GLN A 39 -7.961 -32.027 0.982 1.00 10.00 C ATOM 525 C GLN A 39 -9.418 -32.437 1.167 1.00 10.00 C ATOM 526 O GLN A 39 -9.750 -33.173 2.094 1.00 10.00 O ATOM 527 CB GLN A 39 -7.062 -33.099 0.344 1.00 10.00 C ATOM 528 CG GLN A 39 -6.491 -34.168 1.287 1.00 10.00 C ATOM 529 CD GLN A 39 -5.372 -34.947 0.594 1.00 10.00 C ATOM 530 OE1 GLN A 39 -4.434 -34.356 0.070 1.00 10.00 O ATOM 531 NE2 GLN A 39 -5.446 -36.271 0.570 1.00 10.00 N ATOM 0 H GLN A 39 -7.638 -32.210 3.024 1.00 10.00 H new ATOM 0 HA GLN A 39 -7.967 -31.209 0.262 1.00 10.00 H new ATOM 0 HB2 GLN A 39 -7.633 -33.603 -0.436 1.00 10.00 H new ATOM 0 HB3 GLN A 39 -6.228 -32.597 -0.146 1.00 10.00 H new ATOM 0 HG2 GLN A 39 -6.108 -33.697 2.192 1.00 10.00 H new ATOM 0 HG3 GLN A 39 -7.283 -34.852 1.594 1.00 10.00 H new ATOM 0 HE21 GLN A 39 -6.234 -36.746 1.011 1.00 10.00 H new ATOM 0 HE22 GLN A 39 -4.715 -36.814 0.110 1.00 10.00 H new ATOM 540 N VAL A 40 -10.273 -31.932 0.278 1.00 10.00 N ATOM 541 CA VAL A 40 -11.696 -32.211 0.230 1.00 10.00 C ATOM 542 C VAL A 40 -11.862 -33.625 -0.310 1.00 10.00 C ATOM 543 O VAL A 40 -11.023 -34.066 -1.092 1.00 10.00 O ATOM 544 CB VAL A 40 -12.411 -31.206 -0.694 1.00 10.00 C ATOM 545 CG1 VAL A 40 -12.552 -29.837 -0.035 1.00 10.00 C ATOM 546 CG2 VAL A 40 -11.701 -31.010 -2.040 1.00 10.00 C ATOM 0 H VAL A 40 -9.974 -31.291 -0.457 1.00 10.00 H new ATOM 0 HA VAL A 40 -12.136 -32.120 1.223 1.00 10.00 H new ATOM 0 HB VAL A 40 -13.392 -31.644 -0.875 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -13.061 -29.156 -0.717 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -13.133 -29.933 0.882 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -11.563 -29.443 0.201 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -12.256 -30.291 -2.643 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -10.691 -30.637 -1.868 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -11.651 -31.963 -2.567 1.00 10.00 H new ATOM 556 N GLN A 41 -12.933 -34.321 0.081 1.00 10.00 N ATOM 557 CA GLN A 41 -13.215 -35.673 -0.370 1.00 10.00 C ATOM 558 C GLN A 41 -14.530 -35.698 -1.147 1.00 10.00 C ATOM 559 O GLN A 41 -15.604 -35.603 -0.556 1.00 10.00 O ATOM 560 CB GLN A 41 -13.214 -36.625 0.827 1.00 10.00 C ATOM 561 CG GLN A 41 -13.400 -38.078 0.368 1.00 10.00 C ATOM 562 CD GLN A 41 -12.980 -39.058 1.454 1.00 10.00 C ATOM 563 OE1 GLN A 41 -12.018 -39.800 1.287 1.00 10.00 O ATOM 564 NE2 GLN A 41 -13.678 -39.056 2.585 1.00 10.00 N ATOM 0 H GLN A 41 -13.631 -33.952 0.726 1.00 10.00 H new ATOM 0 HA GLN A 41 -12.437 -36.014 -1.053 1.00 10.00 H new ATOM 0 HB2 GLN A 41 -12.276 -36.529 1.373 1.00 10.00 H new ATOM 0 HB3 GLN A 41 -14.013 -36.351 1.516 1.00 10.00 H new ATOM 0 HG2 GLN A 41 -14.444 -38.248 0.106 1.00 10.00 H new ATOM 0 HG3 GLN A 41 -12.812 -38.255 -0.532 1.00 10.00 H new ATOM 0 HE21 GLN A 41 -14.473 -38.426 2.692 1.00 10.00 H new ATOM 0 HE22 GLN A 41 -13.418 -39.684 3.346 1.00 10.00 H new ATOM 573 N MET A 42 -14.441 -35.851 -2.469 1.00 10.00 N ATOM 574 CA MET A 42 -15.592 -35.952 -3.349 1.00 10.00 C ATOM 575 C MET A 42 -16.044 -37.407 -3.380 1.00 10.00 C ATOM 576 O MET A 42 -15.306 -38.270 -3.862 1.00 10.00 O ATOM 577 CB MET A 42 -15.229 -35.447 -4.752 1.00 10.00 C ATOM 578 CG MET A 42 -15.237 -33.917 -4.769 1.00 10.00 C ATOM 579 SD MET A 42 -16.890 -33.194 -4.595 1.00 10.00 S ATOM 580 CE MET A 42 -16.445 -31.506 -4.155 1.00 10.00 C ATOM 0 H MET A 42 -13.549 -35.908 -2.961 1.00 10.00 H new ATOM 0 HA MET A 42 -16.409 -35.331 -2.982 1.00 10.00 H new ATOM 0 HB2 MET A 42 -14.245 -35.818 -5.039 1.00 10.00 H new ATOM 0 HB3 MET A 42 -15.940 -35.832 -5.483 1.00 10.00 H new ATOM 0 HG2 MET A 42 -14.603 -33.550 -3.962 1.00 10.00 H new ATOM 0 HG3 MET A 42 -14.795 -33.571 -5.703 1.00 10.00 H new ATOM 0 HE1 MET A 42 -17.351 -30.917 -4.010 1.00 10.00 H new ATOM 0 HE2 MET A 42 -15.864 -31.512 -3.233 1.00 10.00 H new ATOM 0 HE3 MET A 42 -15.851 -31.066 -4.956 1.00 10.00 H new ATOM 590 N ARG A 43 -17.253 -37.658 -2.866 1.00 10.00 N ATOM 591 CA ARG A 43 -17.871 -38.976 -2.812 1.00 10.00 C ATOM 592 C ARG A 43 -18.840 -39.146 -3.979 1.00 10.00 C ATOM 593 O ARG A 43 -19.652 -38.263 -4.248 1.00 10.00 O ATOM 594 CB ARG A 43 -18.562 -39.191 -1.457 1.00 10.00 C ATOM 595 CG ARG A 43 -19.028 -40.648 -1.304 1.00 10.00 C ATOM 596 CD ARG A 43 -19.554 -40.957 0.104 1.00 10.00 C ATOM 597 NE ARG A 43 -18.583 -40.606 1.150 1.00 10.00 N ATOM 598 CZ ARG A 43 -17.481 -41.300 1.475 1.00 10.00 C ATOM 599 NH1 ARG A 43 -17.165 -42.441 0.854 1.00 10.00 N ATOM 600 NH2 ARG A 43 -16.685 -40.833 2.441 1.00 10.00 N ATOM 0 H ARG A 43 -17.840 -36.926 -2.467 1.00 10.00 H new ATOM 0 HA ARG A 43 -17.099 -39.740 -2.906 1.00 10.00 H new ATOM 0 HB2 ARG A 43 -17.875 -38.938 -0.650 1.00 10.00 H new ATOM 0 HB3 ARG A 43 -19.417 -38.520 -1.370 1.00 10.00 H new ATOM 0 HG2 ARG A 43 -19.812 -40.853 -2.033 1.00 10.00 H new ATOM 0 HG3 ARG A 43 -18.198 -41.316 -1.532 1.00 10.00 H new ATOM 0 HD2 ARG A 43 -20.481 -40.408 0.272 1.00 10.00 H new ATOM 0 HD3 ARG A 43 -19.794 -42.018 0.175 1.00 10.00 H new ATOM 0 HE ARG A 43 -18.764 -39.753 1.680 1.00 10.00 H new ATOM 0 HH11 ARG A 43 -17.767 -42.803 0.115 1.00 10.00 H new ATOM 0 HH12 ARG A 43 -16.322 -42.950 1.120 1.00 10.00 H new ATOM 0 HH21 ARG A 43 -16.919 -39.962 2.918 1.00 10.00 H new ATOM 0 HH22 ARG A 43 -15.843 -41.347 2.701 1.00 10.00 H new ATOM 614 N GLN A 44 -18.753 -40.287 -4.664 1.00 10.00 N ATOM 615 CA GLN A 44 -19.575 -40.663 -5.796 1.00 10.00 C ATOM 616 C GLN A 44 -20.406 -41.877 -5.381 1.00 10.00 C ATOM 617 O GLN A 44 -20.062 -43.024 -5.667 1.00 10.00 O ATOM 618 CB GLN A 44 -18.724 -40.874 -7.066 1.00 10.00 C ATOM 619 CG GLN A 44 -17.430 -41.704 -6.930 1.00 10.00 C ATOM 620 CD GLN A 44 -16.237 -41.011 -6.259 1.00 10.00 C ATOM 621 OE1 GLN A 44 -15.238 -41.662 -5.970 1.00 10.00 O ATOM 622 NE2 GLN A 44 -16.307 -39.706 -6.010 1.00 10.00 N ATOM 0 H GLN A 44 -18.069 -41.005 -4.425 1.00 10.00 H new ATOM 0 HA GLN A 44 -20.261 -39.862 -6.070 1.00 10.00 H new ATOM 0 HB2 GLN A 44 -19.353 -41.353 -7.816 1.00 10.00 H new ATOM 0 HB3 GLN A 44 -18.454 -39.893 -7.456 1.00 10.00 H new ATOM 0 HG2 GLN A 44 -17.662 -42.607 -6.365 1.00 10.00 H new ATOM 0 HG3 GLN A 44 -17.123 -42.022 -7.926 1.00 10.00 H new ATOM 0 HE21 GLN A 44 -17.147 -39.184 -6.258 1.00 10.00 H new ATOM 0 HE22 GLN A 44 -15.520 -39.228 -5.571 1.00 10.00 H new ATOM 631 N GLY A 45 -21.503 -41.613 -4.666 1.00 10.00 N ATOM 632 CA GLY A 45 -22.421 -42.631 -4.179 1.00 10.00 C ATOM 633 C GLY A 45 -21.845 -43.385 -2.982 1.00 10.00 C ATOM 634 O GLY A 45 -22.389 -43.306 -1.884 1.00 10.00 O ATOM 0 H GLY A 45 -21.778 -40.665 -4.408 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -23.365 -42.165 -3.896 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -22.642 -43.335 -4.981 1.00 10.00 H new ATOM 638 N PHE A 46 -20.745 -44.111 -3.198 1.00 10.00 N ATOM 639 CA PHE A 46 -20.064 -44.893 -2.174 1.00 10.00 C ATOM 640 C PHE A 46 -18.579 -44.539 -2.169 1.00 10.00 C ATOM 641 O PHE A 46 -18.086 -43.954 -1.206 1.00 10.00 O ATOM 642 CB PHE A 46 -20.306 -46.389 -2.415 1.00 10.00 C ATOM 643 CG PHE A 46 -19.510 -47.292 -1.493 1.00 10.00 C ATOM 644 CD1 PHE A 46 -19.825 -47.350 -0.123 1.00 10.00 C ATOM 645 CD2 PHE A 46 -18.398 -48.004 -1.985 1.00 10.00 C ATOM 646 CE1 PHE A 46 -19.037 -48.122 0.749 1.00 10.00 C ATOM 647 CE2 PHE A 46 -17.611 -48.773 -1.113 1.00 10.00 C ATOM 648 CZ PHE A 46 -17.930 -48.834 0.255 1.00 10.00 C ATOM 0 H PHE A 46 -20.296 -44.170 -4.112 1.00 10.00 H new ATOM 0 HA PHE A 46 -20.464 -44.655 -1.188 1.00 10.00 H new ATOM 0 HB2 PHE A 46 -21.368 -46.601 -2.289 1.00 10.00 H new ATOM 0 HB3 PHE A 46 -20.054 -46.627 -3.448 1.00 10.00 H new ATOM 0 HD1 PHE A 46 -20.673 -46.801 0.259 1.00 10.00 H new ATOM 0 HD2 PHE A 46 -18.151 -47.958 -3.035 1.00 10.00 H new ATOM 0 HE1 PHE A 46 -19.283 -48.168 1.800 1.00 10.00 H new ATOM 0 HE2 PHE A 46 -16.760 -49.318 -1.493 1.00 10.00 H new ATOM 0 HZ PHE A 46 -17.325 -49.427 0.925 1.00 10.00 H new ATOM 658 N PHE A 47 -17.871 -44.883 -3.249 1.00 10.00 N ATOM 659 CA PHE A 47 -16.449 -44.596 -3.390 1.00 10.00 C ATOM 660 C PHE A 47 -16.218 -43.087 -3.318 1.00 10.00 C ATOM 661 O PHE A 47 -17.124 -42.314 -3.631 1.00 10.00 O ATOM 662 CB PHE A 47 -15.939 -45.148 -4.725 1.00 10.00 C ATOM 663 CG PHE A 47 -16.260 -46.613 -4.951 1.00 10.00 C ATOM 664 CD1 PHE A 47 -15.511 -47.606 -4.290 1.00 10.00 C ATOM 665 CD2 PHE A 47 -17.332 -46.986 -5.786 1.00 10.00 C ATOM 666 CE1 PHE A 47 -15.824 -48.964 -4.473 1.00 10.00 C ATOM 667 CE2 PHE A 47 -17.652 -48.344 -5.956 1.00 10.00 C ATOM 668 CZ PHE A 47 -16.898 -49.332 -5.302 1.00 10.00 C ATOM 0 H PHE A 47 -18.274 -45.370 -4.050 1.00 10.00 H new ATOM 0 HA PHE A 47 -15.901 -45.076 -2.579 1.00 10.00 H new ATOM 0 HB2 PHE A 47 -16.371 -44.563 -5.537 1.00 10.00 H new ATOM 0 HB3 PHE A 47 -14.859 -45.012 -4.774 1.00 10.00 H new ATOM 0 HD1 PHE A 47 -14.695 -47.323 -3.642 1.00 10.00 H new ATOM 0 HD2 PHE A 47 -17.908 -46.228 -6.296 1.00 10.00 H new ATOM 0 HE1 PHE A 47 -15.239 -49.725 -3.977 1.00 10.00 H new ATOM 0 HE2 PHE A 47 -18.479 -48.628 -6.590 1.00 10.00 H new ATOM 0 HZ PHE A 47 -17.143 -50.375 -5.436 1.00 10.00 H new ATOM 678 N ALA A 48 -15.014 -42.665 -2.928 1.00 10.00 N ATOM 679 CA ALA A 48 -14.673 -41.257 -2.843 1.00 10.00 C ATOM 680 C ALA A 48 -13.214 -41.032 -3.201 1.00 10.00 C ATOM 681 O ALA A 48 -12.407 -41.953 -3.082 1.00 10.00 O ATOM 682 CB ALA A 48 -14.965 -40.734 -1.438 1.00 10.00 C ATOM 0 H ALA A 48 -14.255 -43.293 -2.664 1.00 10.00 H new ATOM 0 HA ALA A 48 -15.285 -40.708 -3.559 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -14.706 -39.677 -1.382 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -16.025 -40.861 -1.216 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -14.373 -41.291 -0.712 1.00 10.00 H new ATOM 688 N VAL A 49 -12.886 -39.806 -3.618 1.00 10.00 N ATOM 689 CA VAL A 49 -11.537 -39.392 -3.977 1.00 10.00 C ATOM 690 C VAL A 49 -11.252 -38.027 -3.373 1.00 10.00 C ATOM 691 O VAL A 49 -12.167 -37.225 -3.188 1.00 10.00 O ATOM 692 CB VAL A 49 -11.332 -39.399 -5.497 1.00 10.00 C ATOM 693 CG1 VAL A 49 -11.278 -40.854 -5.960 1.00 10.00 C ATOM 694 CG2 VAL A 49 -12.421 -38.630 -6.259 1.00 10.00 C ATOM 0 H VAL A 49 -13.573 -39.058 -3.716 1.00 10.00 H new ATOM 0 HA VAL A 49 -10.825 -40.109 -3.569 1.00 10.00 H new ATOM 0 HB VAL A 49 -10.398 -38.882 -5.719 1.00 10.00 H new ATOM 0 HG11 VAL A 49 -11.133 -40.887 -7.040 1.00 10.00 H new ATOM 0 HG12 VAL A 49 -10.450 -41.362 -5.467 1.00 10.00 H new ATOM 0 HG13 VAL A 49 -12.213 -41.352 -5.704 1.00 10.00 H new ATOM 0 HG21 VAL A 49 -12.217 -38.674 -7.329 1.00 10.00 H new ATOM 0 HG22 VAL A 49 -13.393 -39.080 -6.057 1.00 10.00 H new ATOM 0 HG23 VAL A 49 -12.427 -37.590 -5.933 1.00 10.00 H new ATOM 704 N GLN A 50 -9.984 -37.789 -3.034 1.00 10.00 N ATOM 705 CA GLN A 50 -9.539 -36.582 -2.363 1.00 10.00 C ATOM 706 C GLN A 50 -8.852 -35.608 -3.322 1.00 10.00 C ATOM 707 O GLN A 50 -8.179 -36.033 -4.258 1.00 10.00 O ATOM 708 CB GLN A 50 -8.673 -36.981 -1.165 1.00 10.00 C ATOM 709 CG GLN A 50 -9.580 -37.570 -0.073 1.00 10.00 C ATOM 710 CD GLN A 50 -8.819 -38.060 1.155 1.00 10.00 C ATOM 711 OE1 GLN A 50 -7.743 -37.563 1.472 1.00 10.00 O ATOM 712 NE2 GLN A 50 -9.366 -39.038 1.870 1.00 10.00 N ATOM 0 H GLN A 50 -9.228 -38.447 -3.225 1.00 10.00 H new ATOM 0 HA GLN A 50 -10.400 -36.028 -1.990 1.00 10.00 H new ATOM 0 HB2 GLN A 50 -7.923 -37.712 -1.468 1.00 10.00 H new ATOM 0 HB3 GLN A 50 -8.136 -36.113 -0.782 1.00 10.00 H new ATOM 0 HG2 GLN A 50 -10.302 -36.813 0.235 1.00 10.00 H new ATOM 0 HG3 GLN A 50 -10.148 -38.400 -0.493 1.00 10.00 H new ATOM 0 HE21 GLN A 50 -10.262 -39.437 1.588 1.00 10.00 H new ATOM 0 HE22 GLN A 50 -8.890 -39.390 2.701 1.00 10.00 H new ATOM 721 N GLN A 51 -9.047 -34.303 -3.092 1.00 10.00 N ATOM 722 CA GLN A 51 -8.501 -33.214 -3.896 1.00 10.00 C ATOM 723 C GLN A 51 -8.061 -32.102 -2.942 1.00 10.00 C ATOM 724 O GLN A 51 -8.738 -31.871 -1.946 1.00 10.00 O ATOM 725 CB GLN A 51 -9.575 -32.636 -4.837 1.00 10.00 C ATOM 726 CG GLN A 51 -10.625 -33.629 -5.365 1.00 10.00 C ATOM 727 CD GLN A 51 -11.772 -32.888 -6.047 1.00 10.00 C ATOM 728 OE1 GLN A 51 -12.492 -32.065 -5.285 1.00 10.00 O flip ATOM 729 NE2 GLN A 51 -12.017 -33.049 -7.237 1.00 10.00 N flip ATOM 0 H GLN A 51 -9.611 -33.970 -2.310 1.00 10.00 H new ATOM 0 HA GLN A 51 -7.671 -33.591 -4.493 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -10.095 -31.835 -4.311 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -9.073 -32.183 -5.692 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -10.160 -34.317 -6.070 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -11.012 -34.229 -4.542 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -11.447 -33.686 -7.793 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -12.791 -32.546 -7.671 1.00 10.00 H new ATOM 738 N THR A 52 -6.967 -31.395 -3.226 1.00 10.00 N ATOM 739 CA THR A 52 -6.503 -30.293 -2.393 1.00 10.00 C ATOM 740 C THR A 52 -7.613 -29.265 -2.153 1.00 10.00 C ATOM 741 O THR A 52 -8.296 -28.875 -3.098 1.00 10.00 O ATOM 742 CB THR A 52 -5.332 -29.618 -3.108 1.00 10.00 C ATOM 743 OG1 THR A 52 -4.426 -30.611 -3.549 1.00 10.00 O ATOM 744 CG2 THR A 52 -4.631 -28.630 -2.175 1.00 10.00 C ATOM 0 H THR A 52 -6.380 -31.573 -4.041 1.00 10.00 H new ATOM 0 HA THR A 52 -6.198 -30.685 -1.423 1.00 10.00 H new ATOM 0 HB THR A 52 -5.705 -29.060 -3.967 1.00 10.00 H new ATOM 0 HG1 THR A 52 -3.673 -30.185 -4.010 1.00 10.00 H new ATOM 0 HG21 THR A 52 -3.800 -28.159 -2.701 1.00 10.00 H new ATOM 0 HG22 THR A 52 -5.339 -27.865 -1.857 1.00 10.00 H new ATOM 0 HG23 THR A 52 -4.253 -29.160 -1.301 1.00 10.00 H new ATOM 752 N CYS A 53 -7.782 -28.792 -0.913 1.00 10.00 N ATOM 753 CA CYS A 53 -8.771 -27.765 -0.623 1.00 10.00 C ATOM 754 C CYS A 53 -8.203 -26.400 -1.031 1.00 10.00 C ATOM 755 O CYS A 53 -7.202 -25.972 -0.449 1.00 10.00 O ATOM 756 CB CYS A 53 -9.126 -27.758 0.863 1.00 10.00 C ATOM 757 SG CYS A 53 -10.467 -26.599 1.253 1.00 10.00 S ATOM 0 H CYS A 53 -7.247 -29.106 -0.103 1.00 10.00 H new ATOM 0 HA CYS A 53 -9.680 -27.975 -1.187 1.00 10.00 H new ATOM 0 HB2 CYS A 53 -9.419 -28.763 1.168 1.00 10.00 H new ATOM 0 HB3 CYS A 53 -8.242 -27.494 1.443 1.00 10.00 H new ATOM 0 HG CYS A 53 -9.988 -25.588 1.914 1.00 10.00 H new ATOM 762 N PRO A 54 -8.806 -25.696 -2.001 1.00 10.00 N ATOM 763 CA PRO A 54 -8.308 -24.404 -2.442 1.00 10.00 C ATOM 764 C PRO A 54 -8.518 -23.336 -1.373 1.00 10.00 C ATOM 765 O PRO A 54 -7.627 -22.529 -1.145 1.00 10.00 O ATOM 766 CB PRO A 54 -9.077 -24.095 -3.729 1.00 10.00 C ATOM 767 CG PRO A 54 -10.405 -24.831 -3.542 1.00 10.00 C ATOM 768 CD PRO A 54 -9.997 -26.073 -2.751 1.00 10.00 C ATOM 0 HA PRO A 54 -7.233 -24.418 -2.621 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -9.228 -23.023 -3.858 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -8.543 -24.450 -4.610 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -11.130 -24.225 -2.998 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -10.861 -25.092 -4.497 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -10.796 -26.389 -2.081 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -9.790 -26.910 -3.418 1.00 10.00 H new ATOM 776 N HIS A 55 -9.682 -23.328 -0.715 1.00 10.00 N ATOM 777 CA HIS A 55 -10.045 -22.325 0.281 1.00 10.00 C ATOM 778 C HIS A 55 -8.945 -22.049 1.318 1.00 10.00 C ATOM 779 O HIS A 55 -8.862 -20.931 1.828 1.00 10.00 O ATOM 780 CB HIS A 55 -11.375 -22.708 0.948 1.00 10.00 C ATOM 781 CG HIS A 55 -12.095 -21.543 1.584 1.00 10.00 C ATOM 782 ND1 HIS A 55 -11.537 -20.339 1.955 1.00 10.00 N ATOM 783 CD2 HIS A 55 -13.439 -21.466 1.838 1.00 10.00 C ATOM 784 CE1 HIS A 55 -12.526 -19.556 2.419 1.00 10.00 C ATOM 785 NE2 HIS A 55 -13.702 -20.203 2.375 1.00 10.00 N ATOM 0 H HIS A 55 -10.406 -24.030 -0.865 1.00 10.00 H new ATOM 0 HA HIS A 55 -10.168 -21.381 -0.251 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -12.027 -23.163 0.202 1.00 10.00 H new ATOM 0 HB3 HIS A 55 -11.185 -23.465 1.709 1.00 10.00 H new ATOM 0 HD1 HIS A 55 -10.551 -20.087 1.889 1.00 10.00 H new ATOM 0 HD2 HIS A 55 -14.166 -22.243 1.656 1.00 10.00 H new ATOM 0 HE1 HIS A 55 -12.393 -18.546 2.778 1.00 10.00 H new ATOM 793 N CYS A 56 -8.112 -23.050 1.626 1.00 10.00 N ATOM 794 CA CYS A 56 -7.004 -22.922 2.564 1.00 10.00 C ATOM 795 C CYS A 56 -5.682 -23.397 1.945 1.00 10.00 C ATOM 796 O CYS A 56 -4.814 -23.879 2.670 1.00 10.00 O ATOM 797 CB CYS A 56 -7.351 -23.658 3.864 1.00 10.00 C ATOM 798 SG CYS A 56 -7.973 -25.355 3.720 1.00 10.00 S ATOM 0 H CYS A 56 -8.195 -23.983 1.222 1.00 10.00 H new ATOM 0 HA CYS A 56 -6.854 -21.869 2.803 1.00 10.00 H new ATOM 0 HB2 CYS A 56 -6.458 -23.678 4.489 1.00 10.00 H new ATOM 0 HB3 CYS A 56 -8.098 -23.069 4.396 1.00 10.00 H new ATOM 0 HG CYS A 56 -9.237 -25.381 4.024 1.00 10.00 H new ATOM 803 N GLN A 57 -5.525 -23.267 0.619 1.00 10.00 N ATOM 804 CA GLN A 57 -4.328 -23.652 -0.132 1.00 10.00 C ATOM 805 C GLN A 57 -3.714 -24.960 0.396 1.00 10.00 C ATOM 806 O GLN A 57 -2.518 -25.040 0.662 1.00 10.00 O ATOM 807 CB GLN A 57 -3.303 -22.498 -0.162 1.00 10.00 C ATOM 808 CG GLN A 57 -3.664 -21.355 -1.128 1.00 10.00 C ATOM 809 CD GLN A 57 -4.921 -20.590 -0.741 1.00 10.00 C ATOM 810 OE1 GLN A 57 -5.824 -20.426 -1.552 1.00 10.00 O ATOM 811 NE2 GLN A 57 -4.971 -20.055 0.472 1.00 10.00 N ATOM 0 H GLN A 57 -6.255 -22.877 0.023 1.00 10.00 H new ATOM 0 HA GLN A 57 -4.630 -23.849 -1.161 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -3.203 -22.090 0.844 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -2.329 -22.900 -0.441 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -2.828 -20.658 -1.178 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -3.796 -21.767 -2.129 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -4.205 -20.207 1.128 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -5.775 -19.492 0.748 1.00 10.00 H new ATOM 820 N GLY A 58 -4.538 -25.997 0.557 1.00 10.00 N ATOM 821 CA GLY A 58 -4.081 -27.303 1.013 1.00 10.00 C ATOM 822 C GLY A 58 -3.670 -27.400 2.489 1.00 10.00 C ATOM 823 O GLY A 58 -3.475 -28.509 2.978 1.00 10.00 O ATOM 0 H GLY A 58 -5.540 -25.951 0.374 1.00 10.00 H new ATOM 0 HA2 GLY A 58 -4.875 -28.027 0.830 1.00 10.00 H new ATOM 0 HA3 GLY A 58 -3.230 -27.602 0.400 1.00 10.00 H new ATOM 827 N ARG A 59 -3.530 -26.289 3.221 1.00 10.00 N ATOM 828 CA ARG A 59 -3.090 -26.314 4.617 1.00 10.00 C ATOM 829 C ARG A 59 -4.164 -26.812 5.589 1.00 10.00 C ATOM 830 O ARG A 59 -3.854 -27.131 6.734 1.00 10.00 O ATOM 831 CB ARG A 59 -2.551 -24.935 5.026 1.00 10.00 C ATOM 832 CG ARG A 59 -1.236 -24.584 4.311 1.00 10.00 C ATOM 833 CD ARG A 59 -0.122 -25.584 4.655 1.00 10.00 C ATOM 834 NE ARG A 59 1.218 -25.004 4.504 1.00 10.00 N ATOM 835 CZ ARG A 59 1.834 -24.261 5.434 1.00 10.00 C ATOM 836 NH1 ARG A 59 1.188 -23.840 6.524 1.00 10.00 N ATOM 837 NH2 ARG A 59 3.114 -23.918 5.291 1.00 10.00 N ATOM 0 H ARG A 59 -3.718 -25.353 2.863 1.00 10.00 H new ATOM 0 HA ARG A 59 -2.284 -27.045 4.682 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -3.298 -24.174 4.800 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -2.392 -24.915 6.104 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -1.398 -24.575 3.233 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -0.924 -23.579 4.594 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -0.252 -25.929 5.681 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -0.211 -26.459 4.010 1.00 10.00 H new ATOM 0 HE ARG A 59 1.715 -25.179 3.631 1.00 10.00 H new ATOM 0 HH11 ARG A 59 0.207 -24.083 6.661 1.00 10.00 H new ATOM 0 HH12 ARG A 59 1.676 -23.275 7.220 1.00 10.00 H new ATOM 0 HH21 ARG A 59 3.634 -24.221 4.468 1.00 10.00 H new ATOM 0 HH22 ARG A 59 3.573 -23.352 6.005 1.00 10.00 H new ATOM 851 N GLY A 60 -5.421 -26.895 5.153 1.00 10.00 N ATOM 852 CA GLY A 60 -6.508 -27.416 5.978 1.00 10.00 C ATOM 853 C GLY A 60 -7.025 -26.437 7.029 1.00 10.00 C ATOM 854 O GLY A 60 -7.855 -26.815 7.854 1.00 10.00 O ATOM 0 H GLY A 60 -5.713 -26.603 4.220 1.00 10.00 H new ATOM 0 HA2 GLY A 60 -7.335 -27.704 5.329 1.00 10.00 H new ATOM 0 HA3 GLY A 60 -6.166 -28.322 6.479 1.00 10.00 H new ATOM 858 N THR A 61 -6.567 -25.187 7.011 1.00 10.00 N ATOM 859 CA THR A 61 -6.970 -24.189 7.983 1.00 10.00 C ATOM 860 C THR A 61 -7.363 -22.888 7.285 1.00 10.00 C ATOM 861 O THR A 61 -6.523 -22.267 6.636 1.00 10.00 O ATOM 862 CB THR A 61 -5.823 -23.971 8.956 1.00 10.00 C ATOM 863 OG1 THR A 61 -4.672 -23.556 8.238 1.00 10.00 O ATOM 864 CG2 THR A 61 -5.487 -25.216 9.775 1.00 10.00 C ATOM 0 H THR A 61 -5.904 -24.843 6.317 1.00 10.00 H new ATOM 0 HA THR A 61 -7.845 -24.535 8.533 1.00 10.00 H new ATOM 0 HB THR A 61 -6.142 -23.203 9.660 1.00 10.00 H new ATOM 0 HG1 THR A 61 -4.947 -23.079 7.427 1.00 10.00 H new ATOM 0 HG21 THR A 61 -4.660 -24.995 10.450 1.00 10.00 H new ATOM 0 HG22 THR A 61 -6.359 -25.516 10.355 1.00 10.00 H new ATOM 0 HG23 THR A 61 -5.201 -26.026 9.104 1.00 10.00 H new ATOM 872 N LEU A 62 -8.615 -22.470 7.457 1.00 10.00 N ATOM 873 CA LEU A 62 -9.156 -21.228 6.939 1.00 10.00 C ATOM 874 C LEU A 62 -8.432 -20.042 7.556 1.00 10.00 C ATOM 875 O LEU A 62 -7.944 -20.099 8.686 1.00 10.00 O ATOM 876 CB LEU A 62 -10.650 -21.098 7.258 1.00 10.00 C ATOM 877 CG LEU A 62 -11.539 -22.053 6.457 1.00 10.00 C ATOM 878 CD1 LEU A 62 -12.982 -21.901 6.951 1.00 10.00 C ATOM 879 CD2 LEU A 62 -11.486 -21.753 4.958 1.00 10.00 C ATOM 0 H LEU A 62 -9.302 -23.012 7.982 1.00 10.00 H new ATOM 0 HA LEU A 62 -9.017 -21.238 5.858 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -10.802 -21.281 8.322 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -10.966 -20.073 7.063 1.00 10.00 H new ATOM 0 HG LEU A 62 -11.178 -23.071 6.606 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -13.631 -22.574 6.391 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -13.031 -22.148 8.012 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -13.311 -20.873 6.802 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -12.130 -22.452 4.424 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -11.829 -20.734 4.779 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -10.461 -21.859 4.602 1.00 10.00 H new ATOM 891 N ILE A 63 -8.375 -18.972 6.767 1.00 10.00 N ATOM 892 CA ILE A 63 -7.699 -17.739 7.076 1.00 10.00 C ATOM 893 C ILE A 63 -8.721 -16.613 7.254 1.00 10.00 C ATOM 894 O ILE A 63 -8.841 -15.735 6.402 1.00 10.00 O ATOM 895 CB ILE A 63 -6.709 -17.450 5.931 1.00 10.00 C ATOM 896 CG1 ILE A 63 -5.883 -18.679 5.499 1.00 10.00 C ATOM 897 CG2 ILE A 63 -5.802 -16.298 6.355 1.00 10.00 C ATOM 898 CD1 ILE A 63 -5.029 -19.251 6.624 1.00 10.00 C ATOM 0 H ILE A 63 -8.825 -18.952 5.852 1.00 10.00 H new ATOM 0 HA ILE A 63 -7.148 -17.813 8.013 1.00 10.00 H new ATOM 0 HB ILE A 63 -7.289 -17.177 5.049 1.00 10.00 H new ATOM 0 HG12 ILE A 63 -6.558 -19.453 5.134 1.00 10.00 H new ATOM 0 HG13 ILE A 63 -5.237 -18.401 4.666 1.00 10.00 H new ATOM 0 HG21 ILE A 63 -5.094 -16.079 5.556 1.00 10.00 H new ATOM 0 HG22 ILE A 63 -6.407 -15.414 6.556 1.00 10.00 H new ATOM 0 HG23 ILE A 63 -5.257 -16.577 7.257 1.00 10.00 H new ATOM 0 HD11 ILE A 63 -4.473 -20.113 6.256 1.00 10.00 H new ATOM 0 HD12 ILE A 63 -4.331 -18.491 6.973 1.00 10.00 H new ATOM 0 HD13 ILE A 63 -5.672 -19.559 7.448 1.00 10.00 H new ATOM 910 N LYS A 64 -9.452 -16.599 8.372 1.00 10.00 N ATOM 911 CA LYS A 64 -10.368 -15.491 8.635 1.00 10.00 C ATOM 912 C LYS A 64 -9.562 -14.207 8.905 1.00 10.00 C ATOM 913 O LYS A 64 -10.065 -13.102 8.720 1.00 10.00 O ATOM 914 CB LYS A 64 -11.292 -15.821 9.816 1.00 10.00 C ATOM 915 CG LYS A 64 -12.218 -17.019 9.551 1.00 10.00 C ATOM 916 CD LYS A 64 -13.375 -16.662 8.605 1.00 10.00 C ATOM 917 CE LYS A 64 -14.253 -17.881 8.296 1.00 10.00 C ATOM 918 NZ LYS A 64 -14.894 -18.426 9.505 1.00 10.00 N ATOM 0 H LYS A 64 -9.429 -17.322 9.091 1.00 10.00 H new ATOM 0 HA LYS A 64 -10.996 -15.331 7.759 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -10.684 -16.029 10.696 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -11.899 -14.946 10.048 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -11.638 -17.836 9.121 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -12.623 -17.379 10.497 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -13.985 -15.879 9.056 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -12.974 -16.258 7.676 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -15.021 -17.600 7.575 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -13.645 -18.656 7.829 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -15.580 -19.159 9.234 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -14.170 -18.842 10.125 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -15.386 -17.662 10.012 1.00 10.00 H new ATOM 932 N ASP A 65 -8.312 -14.367 9.358 1.00 10.00 N ATOM 933 CA ASP A 65 -7.344 -13.332 9.704 1.00 10.00 C ATOM 934 C ASP A 65 -6.230 -13.262 8.638 1.00 10.00 C ATOM 935 O ASP A 65 -5.148 -13.808 8.854 1.00 10.00 O ATOM 936 CB ASP A 65 -6.782 -13.669 11.098 1.00 10.00 C ATOM 937 CG ASP A 65 -6.091 -15.036 11.171 1.00 10.00 C ATOM 938 OD1 ASP A 65 -6.744 -16.043 10.808 1.00 10.00 O ATOM 939 OD2 ASP A 65 -4.913 -15.051 11.583 1.00 10.00 O ATOM 0 H ASP A 65 -7.926 -15.300 9.502 1.00 10.00 H new ATOM 0 HA ASP A 65 -7.815 -12.349 9.729 1.00 10.00 H new ATOM 0 HB2 ASP A 65 -6.071 -12.896 11.390 1.00 10.00 H new ATOM 0 HB3 ASP A 65 -7.595 -13.644 11.823 1.00 10.00 H new ATOM 944 N PRO A 66 -6.461 -12.625 7.479 1.00 10.00 N ATOM 945 CA PRO A 66 -5.504 -12.592 6.379 1.00 10.00 C ATOM 946 C PRO A 66 -4.181 -11.878 6.668 1.00 10.00 C ATOM 947 O PRO A 66 -4.140 -10.667 6.883 1.00 10.00 O ATOM 948 CB PRO A 66 -6.246 -11.949 5.200 1.00 10.00 C ATOM 949 CG PRO A 66 -7.310 -11.092 5.880 1.00 10.00 C ATOM 950 CD PRO A 66 -7.686 -11.943 7.091 1.00 10.00 C ATOM 0 HA PRO A 66 -5.178 -13.612 6.173 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -5.578 -11.347 4.584 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -6.691 -12.700 4.547 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -6.921 -10.117 6.173 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -8.165 -10.912 5.228 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -8.065 -11.324 7.904 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -8.471 -12.657 6.841 1.00 10.00 H new ATOM 958 N CYS A 67 -3.084 -12.635 6.589 1.00 10.00 N ATOM 959 CA CYS A 67 -1.718 -12.150 6.667 1.00 10.00 C ATOM 960 C CYS A 67 -1.497 -11.275 5.432 1.00 10.00 C ATOM 961 O CYS A 67 -1.213 -11.792 4.348 1.00 10.00 O ATOM 962 CB CYS A 67 -0.756 -13.347 6.663 1.00 10.00 C ATOM 963 SG CYS A 67 1.008 -12.969 6.488 1.00 10.00 S ATOM 0 H CYS A 67 -3.134 -13.646 6.463 1.00 10.00 H new ATOM 0 HA CYS A 67 -1.539 -11.579 7.578 1.00 10.00 H new ATOM 0 HB2 CYS A 67 -0.896 -13.899 7.592 1.00 10.00 H new ATOM 0 HB3 CYS A 67 -1.044 -14.013 5.850 1.00 10.00 H new ATOM 0 HG CYS A 67 1.651 -13.406 7.530 1.00 10.00 H new ATOM 968 N ASN A 68 -1.678 -9.961 5.599 1.00 10.00 N ATOM 969 CA ASN A 68 -1.574 -8.945 4.558 1.00 10.00 C ATOM 970 C ASN A 68 -0.433 -9.216 3.579 1.00 10.00 C ATOM 971 O ASN A 68 -0.656 -9.189 2.372 1.00 10.00 O ATOM 972 CB ASN A 68 -1.420 -7.558 5.190 1.00 10.00 C ATOM 973 CG ASN A 68 -1.210 -6.496 4.114 1.00 10.00 C ATOM 974 OD1 ASN A 68 -0.092 -6.045 3.894 1.00 10.00 O ATOM 975 ND2 ASN A 68 -2.276 -6.096 3.427 1.00 10.00 N ATOM 0 H ASN A 68 -1.912 -9.563 6.508 1.00 10.00 H new ATOM 0 HA ASN A 68 -2.498 -8.982 3.980 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -2.308 -7.319 5.776 1.00 10.00 H new ATOM 0 HB3 ASN A 68 -0.575 -7.558 5.878 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -2.176 -5.395 2.693 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -3.194 -6.491 3.634 1.00 10.00 H new ATOM 982 N LYS A 69 0.767 -9.502 4.099 1.00 10.00 N ATOM 983 CA LYS A 69 1.964 -9.798 3.316 1.00 10.00 C ATOM 984 C LYS A 69 1.682 -10.732 2.130 1.00 10.00 C ATOM 985 O LYS A 69 2.235 -10.528 1.054 1.00 10.00 O ATOM 986 CB LYS A 69 3.044 -10.379 4.238 1.00 10.00 C ATOM 987 CG LYS A 69 4.350 -10.660 3.481 1.00 10.00 C ATOM 988 CD LYS A 69 5.453 -11.087 4.457 1.00 10.00 C ATOM 989 CE LYS A 69 6.688 -11.617 3.719 1.00 10.00 C ATOM 990 NZ LYS A 69 7.281 -10.602 2.830 1.00 10.00 N ATOM 0 H LYS A 69 0.932 -9.534 5.105 1.00 10.00 H new ATOM 0 HA LYS A 69 2.320 -8.864 2.882 1.00 10.00 H new ATOM 0 HB2 LYS A 69 3.239 -9.682 5.053 1.00 10.00 H new ATOM 0 HB3 LYS A 69 2.679 -11.302 4.688 1.00 10.00 H new ATOM 0 HG2 LYS A 69 4.187 -11.444 2.741 1.00 10.00 H new ATOM 0 HG3 LYS A 69 4.662 -9.768 2.938 1.00 10.00 H new ATOM 0 HD2 LYS A 69 5.737 -10.238 5.079 1.00 10.00 H new ATOM 0 HD3 LYS A 69 5.069 -11.858 5.125 1.00 10.00 H new ATOM 0 HE2 LYS A 69 7.433 -11.941 4.446 1.00 10.00 H new ATOM 0 HE3 LYS A 69 6.411 -12.494 3.134 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 8.169 -10.967 2.430 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 6.617 -10.385 2.059 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 7.476 -9.737 3.373 1.00 10.00 H new ATOM 1004 N CYS A 70 0.830 -11.744 2.326 1.00 10.00 N ATOM 1005 CA CYS A 70 0.457 -12.698 1.287 1.00 10.00 C ATOM 1006 C CYS A 70 -1.057 -12.720 1.080 1.00 10.00 C ATOM 1007 O CYS A 70 -1.589 -13.702 0.566 1.00 10.00 O ATOM 1008 CB CYS A 70 0.960 -14.087 1.687 1.00 10.00 C ATOM 1009 SG CYS A 70 0.260 -14.714 3.233 1.00 10.00 S ATOM 0 H CYS A 70 0.377 -11.922 3.222 1.00 10.00 H new ATOM 0 HA CYS A 70 0.914 -12.396 0.345 1.00 10.00 H new ATOM 0 HB2 CYS A 70 0.729 -14.789 0.886 1.00 10.00 H new ATOM 0 HB3 CYS A 70 2.046 -14.055 1.780 1.00 10.00 H new ATOM 0 HG CYS A 70 0.648 -13.964 4.221 1.00 10.00 H new ATOM 1014 N HIS A 71 -1.763 -11.671 1.515 1.00 10.00 N ATOM 1015 CA HIS A 71 -3.215 -11.565 1.450 1.00 10.00 C ATOM 1016 C HIS A 71 -3.879 -12.861 1.943 1.00 10.00 C ATOM 1017 O HIS A 71 -4.834 -13.345 1.337 1.00 10.00 O ATOM 1018 CB HIS A 71 -3.660 -11.195 0.023 1.00 10.00 C ATOM 1019 CG HIS A 71 -3.200 -9.849 -0.485 1.00 10.00 C ATOM 1020 ND1 HIS A 71 -2.218 -9.041 0.048 1.00 10.00 N ATOM 1021 CD2 HIS A 71 -3.700 -9.205 -1.587 1.00 10.00 C ATOM 1022 CE1 HIS A 71 -2.134 -7.941 -0.716 1.00 10.00 C ATOM 1023 NE2 HIS A 71 -3.020 -7.992 -1.724 1.00 10.00 N ATOM 0 H HIS A 71 -1.322 -10.852 1.933 1.00 10.00 H new ATOM 0 HA HIS A 71 -3.541 -10.765 2.115 1.00 10.00 H new ATOM 0 HB2 HIS A 71 -3.297 -11.963 -0.660 1.00 10.00 H new ATOM 0 HB3 HIS A 71 -4.749 -11.223 -0.016 1.00 10.00 H new ATOM 0 HD1 HIS A 71 -1.656 -9.243 0.875 1.00 10.00 H new ATOM 0 HD2 HIS A 71 -4.482 -9.571 -2.236 1.00 10.00 H new ATOM 0 HE1 HIS A 71 -1.447 -7.125 -0.544 1.00 10.00 H new ATOM 1031 N GLY A 72 -3.369 -13.453 3.029 1.00 10.00 N ATOM 1032 CA GLY A 72 -3.916 -14.683 3.573 1.00 10.00 C ATOM 1033 C GLY A 72 -3.876 -15.894 2.632 1.00 10.00 C ATOM 1034 O GLY A 72 -4.550 -16.880 2.901 1.00 10.00 O ATOM 0 H GLY A 72 -2.570 -13.089 3.547 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -3.369 -14.933 4.482 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -4.951 -14.503 3.863 1.00 10.00 H new ATOM 1038 N HIS A 73 -3.098 -15.861 1.545 1.00 10.00 N ATOM 1039 CA HIS A 73 -2.994 -17.004 0.640 1.00 10.00 C ATOM 1040 C HIS A 73 -2.091 -18.064 1.277 1.00 10.00 C ATOM 1041 O HIS A 73 -2.386 -19.261 1.252 1.00 10.00 O ATOM 1042 CB HIS A 73 -2.424 -16.561 -0.715 1.00 10.00 C ATOM 1043 CG HIS A 73 -3.314 -15.631 -1.505 1.00 10.00 C ATOM 1044 ND1 HIS A 73 -4.238 -14.738 -1.004 1.00 10.00 N ATOM 1045 CD2 HIS A 73 -3.319 -15.500 -2.868 1.00 10.00 C ATOM 1046 CE1 HIS A 73 -4.787 -14.095 -2.047 1.00 10.00 C ATOM 1047 NE2 HIS A 73 -4.260 -14.523 -3.205 1.00 10.00 N ATOM 0 H HIS A 73 -2.533 -15.056 1.273 1.00 10.00 H new ATOM 0 HA HIS A 73 -3.985 -17.425 0.470 1.00 10.00 H new ATOM 0 HB2 HIS A 73 -1.466 -16.068 -0.546 1.00 10.00 H new ATOM 0 HB3 HIS A 73 -2.225 -17.448 -1.316 1.00 10.00 H new ATOM 0 HD1 HIS A 73 -4.463 -14.592 -0.020 1.00 10.00 H new ATOM 0 HD2 HIS A 73 -2.704 -16.054 -3.561 1.00 10.00 H new ATOM 0 HE1 HIS A 73 -5.550 -13.335 -1.965 1.00 10.00 H new ATOM 1055 N GLY A 74 -0.969 -17.590 1.829 1.00 10.00 N ATOM 1056 CA GLY A 74 0.056 -18.382 2.495 1.00 10.00 C ATOM 1057 C GLY A 74 1.417 -18.275 1.801 1.00 10.00 C ATOM 1058 O GLY A 74 2.419 -18.758 2.320 1.00 10.00 O ATOM 0 H GLY A 74 -0.746 -16.595 1.820 1.00 10.00 H new ATOM 0 HA2 GLY A 74 0.151 -18.052 3.530 1.00 10.00 H new ATOM 0 HA3 GLY A 74 -0.255 -19.426 2.521 1.00 10.00 H new ATOM 1062 N ARG A 75 1.492 -17.634 0.635 1.00 10.00 N ATOM 1063 CA ARG A 75 2.733 -17.508 -0.113 1.00 10.00 C ATOM 1064 C ARG A 75 2.694 -16.249 -0.960 1.00 10.00 C ATOM 1065 O ARG A 75 1.614 -15.798 -1.335 1.00 10.00 O ATOM 1066 CB ARG A 75 2.974 -18.776 -0.947 1.00 10.00 C ATOM 1067 CG ARG A 75 1.769 -19.190 -1.816 1.00 10.00 C ATOM 1068 CD ARG A 75 1.689 -20.716 -1.987 1.00 10.00 C ATOM 1069 NE ARG A 75 1.700 -21.420 -0.693 1.00 10.00 N ATOM 1070 CZ ARG A 75 0.800 -21.275 0.290 1.00 10.00 C ATOM 1071 NH1 ARG A 75 -0.379 -20.695 0.044 1.00 10.00 N ATOM 1072 NH2 ARG A 75 1.124 -21.693 1.518 1.00 10.00 N ATOM 0 H ARG A 75 0.692 -17.189 0.186 1.00 10.00 H new ATOM 0 HA ARG A 75 3.576 -17.412 0.571 1.00 10.00 H new ATOM 0 HB2 ARG A 75 3.837 -18.616 -1.593 1.00 10.00 H new ATOM 0 HB3 ARG A 75 3.226 -19.598 -0.277 1.00 10.00 H new ATOM 0 HG2 ARG A 75 0.849 -18.826 -1.359 1.00 10.00 H new ATOM 0 HG3 ARG A 75 1.847 -18.718 -2.795 1.00 10.00 H new ATOM 0 HD2 ARG A 75 0.780 -20.972 -2.531 1.00 10.00 H new ATOM 0 HD3 ARG A 75 2.529 -21.057 -2.592 1.00 10.00 H new ATOM 0 HE ARG A 75 2.462 -22.078 -0.530 1.00 10.00 H new ATOM 0 HH11 ARG A 75 -0.597 -20.361 -0.895 1.00 10.00 H new ATOM 0 HH12 ARG A 75 -1.061 -20.587 0.795 1.00 10.00 H new ATOM 0 HH21 ARG A 75 2.038 -22.111 1.690 1.00 10.00 H new ATOM 0 HH22 ARG A 75 0.457 -21.594 2.283 1.00 10.00 H new ATOM 1086 N VAL A 76 3.873 -15.693 -1.247 1.00 10.00 N ATOM 1087 CA VAL A 76 4.033 -14.492 -2.057 1.00 10.00 C ATOM 1088 C VAL A 76 4.622 -14.915 -3.400 1.00 10.00 C ATOM 1089 O VAL A 76 5.399 -15.864 -3.438 1.00 10.00 O ATOM 1090 CB VAL A 76 4.909 -13.454 -1.330 1.00 10.00 C ATOM 1091 CG1 VAL A 76 4.269 -13.046 0.001 1.00 10.00 C ATOM 1092 CG2 VAL A 76 6.342 -13.934 -1.061 1.00 10.00 C ATOM 0 H VAL A 76 4.758 -16.075 -0.914 1.00 10.00 H new ATOM 0 HA VAL A 76 3.072 -14.006 -2.225 1.00 10.00 H new ATOM 0 HB VAL A 76 4.971 -12.602 -2.007 1.00 10.00 H new ATOM 0 HG11 VAL A 76 4.903 -12.312 0.500 1.00 10.00 H new ATOM 0 HG12 VAL A 76 3.287 -12.611 -0.186 1.00 10.00 H new ATOM 0 HG13 VAL A 76 4.161 -13.924 0.637 1.00 10.00 H new ATOM 0 HG21 VAL A 76 6.898 -13.150 -0.547 1.00 10.00 H new ATOM 0 HG22 VAL A 76 6.315 -14.828 -0.438 1.00 10.00 H new ATOM 0 HG23 VAL A 76 6.832 -14.165 -2.007 1.00 10.00 H new ATOM 1102 N GLU A 77 4.261 -14.239 -4.492 1.00 10.00 N ATOM 1103 CA GLU A 77 4.776 -14.558 -5.817 1.00 10.00 C ATOM 1104 C GLU A 77 5.917 -13.606 -6.158 1.00 10.00 C ATOM 1105 O GLU A 77 5.795 -12.399 -5.946 1.00 10.00 O ATOM 1106 CB GLU A 77 3.657 -14.442 -6.863 1.00 10.00 C ATOM 1107 CG GLU A 77 4.143 -14.851 -8.264 1.00 10.00 C ATOM 1108 CD GLU A 77 3.038 -14.717 -9.303 1.00 10.00 C ATOM 1109 OE1 GLU A 77 2.310 -15.714 -9.493 1.00 10.00 O ATOM 1110 OE2 GLU A 77 2.943 -13.609 -9.878 1.00 10.00 O ATOM 0 H GLU A 77 3.605 -13.458 -4.479 1.00 10.00 H new ATOM 0 HA GLU A 77 5.148 -15.583 -5.822 1.00 10.00 H new ATOM 0 HB2 GLU A 77 2.818 -15.073 -6.570 1.00 10.00 H new ATOM 0 HB3 GLU A 77 3.289 -13.416 -6.890 1.00 10.00 H new ATOM 0 HG2 GLU A 77 4.991 -14.229 -8.551 1.00 10.00 H new ATOM 0 HG3 GLU A 77 4.497 -15.881 -8.240 1.00 10.00 H new ATOM 1117 N ARG A 78 6.996 -14.126 -6.746 1.00 10.00 N ATOM 1118 CA ARG A 78 8.104 -13.313 -7.231 1.00 10.00 C ATOM 1119 C ARG A 78 7.686 -12.689 -8.572 1.00 10.00 C ATOM 1120 O ARG A 78 8.305 -12.919 -9.611 1.00 10.00 O ATOM 1121 CB ARG A 78 9.360 -14.196 -7.313 1.00 10.00 C ATOM 1122 CG ARG A 78 10.657 -13.536 -7.814 1.00 10.00 C ATOM 1123 CD ARG A 78 11.007 -12.219 -7.110 1.00 10.00 C ATOM 1124 NE ARG A 78 10.245 -11.085 -7.652 1.00 10.00 N ATOM 1125 CZ ARG A 78 10.333 -9.827 -7.201 1.00 10.00 C ATOM 1126 NH1 ARG A 78 11.176 -9.524 -6.208 1.00 10.00 N ATOM 1127 NH2 ARG A 78 9.573 -8.873 -7.747 1.00 10.00 N ATOM 0 H ARG A 78 7.123 -15.127 -6.898 1.00 10.00 H new ATOM 0 HA ARG A 78 8.348 -12.490 -6.559 1.00 10.00 H new ATOM 0 HB2 ARG A 78 9.551 -14.603 -6.320 1.00 10.00 H new ATOM 0 HB3 ARG A 78 9.137 -15.040 -7.966 1.00 10.00 H new ATOM 0 HG2 ARG A 78 11.482 -14.236 -7.681 1.00 10.00 H new ATOM 0 HG3 ARG A 78 10.566 -13.350 -8.884 1.00 10.00 H new ATOM 0 HD2 ARG A 78 10.806 -12.314 -6.043 1.00 10.00 H new ATOM 0 HD3 ARG A 78 12.074 -12.023 -7.217 1.00 10.00 H new ATOM 0 HE ARG A 78 9.605 -11.269 -8.425 1.00 10.00 H new ATOM 0 HH11 ARG A 78 11.755 -10.252 -5.791 1.00 10.00 H new ATOM 0 HH12 ARG A 78 11.240 -8.564 -5.868 1.00 10.00 H new ATOM 0 HH21 ARG A 78 8.929 -9.104 -8.504 1.00 10.00 H new ATOM 0 HH22 ARG A 78 9.636 -7.913 -7.407 1.00 10.00 H new ATOM 1141 N SER A 79 6.611 -11.897 -8.560 1.00 10.00 N ATOM 1142 CA SER A 79 6.062 -11.242 -9.737 1.00 10.00 C ATOM 1143 C SER A 79 7.073 -10.269 -10.339 1.00 10.00 C ATOM 1144 O SER A 79 7.653 -9.455 -9.619 1.00 10.00 O ATOM 1145 CB SER A 79 4.774 -10.518 -9.336 1.00 10.00 C ATOM 1146 OG SER A 79 3.941 -11.393 -8.600 1.00 10.00 O ATOM 0 H SER A 79 6.090 -11.692 -7.708 1.00 10.00 H new ATOM 0 HA SER A 79 5.838 -11.987 -10.501 1.00 10.00 H new ATOM 0 HB2 SER A 79 5.012 -9.638 -8.738 1.00 10.00 H new ATOM 0 HB3 SER A 79 4.252 -10.167 -10.226 1.00 10.00 H new ATOM 0 HG SER A 79 3.670 -12.143 -9.170 1.00 10.00 H new