USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 490 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 23 SER OG : rot 92:sc= 0.931 USER MOD Set 1.2: A 45 CYS SG : rot 142:sc= -0.153 USER MOD Set 2.1: A 27 HIS : no HD1:sc= -1.26 X(o=-9.1,f=-9.4) USER MOD Set 2.2: A 31 HIS : no HE2:sc= -7.79 K(o=-9.1,f=-10!) USER MOD Set 3.1: A 14 SER OG : rot 180:sc= -0.466 USER MOD Set 3.2: A 15 SER OG : rot -170:sc= -0.0951 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -135:sc=-0.00417 (180deg=-0.166) USER MOD Single : A 16 TYR OH : rot 63:sc= -0.164 USER MOD Single : A 21 GLN : amide:sc= -0.0797 X(o=-0.08,f=-0.3) USER MOD Single : A 22 THR OG1 : rot 90:sc= 1.2 USER MOD Single : A 28 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.0514) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 42 SER OG : rot -177:sc= -1.52 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -40:sc= 0.0511 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -121:sc= -0.63 USER MOD Single : A 52 MET CE :methyl -149:sc= -0.0193 (180deg=-1.79) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -106:sc= 0.449 USER MOD Single : A 59 LYS NZ :NH3+ -115:sc= 0 (180deg=-0.119) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 163 N LYS A 12 -13.188 11.103 -3.476 1.00 0.00 N ATOM 164 CA LYS A 12 -12.491 9.810 -3.745 1.00 0.00 C ATOM 165 C LYS A 12 -13.515 8.691 -3.953 1.00 0.00 C ATOM 166 O LYS A 12 -14.706 8.931 -4.016 1.00 0.00 O ATOM 167 CB LYS A 12 -11.651 9.544 -2.495 1.00 0.00 C ATOM 168 CG LYS A 12 -10.550 10.600 -2.386 1.00 0.00 C ATOM 169 CD LYS A 12 -10.037 10.657 -0.946 1.00 0.00 C ATOM 170 CE LYS A 12 -11.053 11.391 -0.070 1.00 0.00 C ATOM 171 NZ LYS A 12 -10.297 11.780 1.152 1.00 0.00 N ATOM 0 HA LYS A 12 -11.878 9.851 -4.646 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.283 9.569 -1.607 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.211 8.548 -2.545 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.732 10.359 -3.065 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.936 11.575 -2.685 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.876 9.648 -0.566 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.075 11.168 -0.912 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.455 12.266 -0.581 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.899 10.749 0.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.928 12.289 1.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.932 10.926 1.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.502 12.396 0.887 1.00 0.00 H new ATOM 185 N MET A 13 -13.056 7.469 -4.058 1.00 0.00 N ATOM 186 CA MET A 13 -13.994 6.325 -4.262 1.00 0.00 C ATOM 187 C MET A 13 -13.425 5.055 -3.624 1.00 0.00 C ATOM 188 O MET A 13 -12.360 4.592 -3.989 1.00 0.00 O ATOM 189 CB MET A 13 -14.097 6.162 -5.779 1.00 0.00 C ATOM 190 CG MET A 13 -15.466 5.584 -6.140 1.00 0.00 C ATOM 191 SD MET A 13 -16.725 6.876 -5.996 1.00 0.00 S ATOM 192 CE MET A 13 -16.442 7.649 -7.607 1.00 0.00 C ATOM 0 H MET A 13 -12.069 7.215 -4.011 1.00 0.00 H new ATOM 0 HA MET A 13 -14.967 6.503 -3.804 1.00 0.00 H new ATOM 0 HB2 MET A 13 -13.957 7.126 -6.269 1.00 0.00 H new ATOM 0 HB3 MET A 13 -13.306 5.504 -6.139 1.00 0.00 H new ATOM 0 HG2 MET A 13 -15.449 5.189 -7.156 1.00 0.00 H new ATOM 0 HG3 MET A 13 -15.707 4.752 -5.479 1.00 0.00 H new ATOM 0 HE1 MET A 13 -16.418 8.733 -7.491 1.00 0.00 H new ATOM 0 HE2 MET A 13 -15.490 7.306 -8.013 1.00 0.00 H new ATOM 0 HE3 MET A 13 -17.247 7.374 -8.289 1.00 0.00 H new ATOM 202 N SER A 14 -14.128 4.493 -2.674 1.00 0.00 N ATOM 203 CA SER A 14 -13.636 3.251 -2.005 1.00 0.00 C ATOM 204 C SER A 14 -14.016 2.020 -2.832 1.00 0.00 C ATOM 205 O SER A 14 -14.624 2.130 -3.879 1.00 0.00 O ATOM 206 CB SER A 14 -14.339 3.226 -0.650 1.00 0.00 C ATOM 207 OG SER A 14 -14.197 1.937 -0.070 1.00 0.00 O ATOM 0 H SER A 14 -15.024 4.842 -2.332 1.00 0.00 H new ATOM 0 HA SER A 14 -12.551 3.240 -1.900 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.911 3.982 0.008 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.395 3.469 -0.771 1.00 0.00 H new ATOM 0 HG SER A 14 -14.646 1.919 0.801 1.00 0.00 H new ATOM 213 N SER A 15 -13.664 0.849 -2.364 1.00 0.00 N ATOM 214 CA SER A 15 -14.003 -0.397 -3.116 1.00 0.00 C ATOM 215 C SER A 15 -15.496 -0.707 -2.974 1.00 0.00 C ATOM 216 O SER A 15 -16.099 -1.306 -3.846 1.00 0.00 O ATOM 217 CB SER A 15 -13.164 -1.499 -2.469 1.00 0.00 C ATOM 218 OG SER A 15 -13.272 -1.402 -1.054 1.00 0.00 O ATOM 0 H SER A 15 -13.156 0.702 -1.492 1.00 0.00 H new ATOM 0 HA SER A 15 -13.795 -0.303 -4.182 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.507 -2.478 -2.805 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.122 -1.404 -2.773 1.00 0.00 H new ATOM 0 HG SER A 15 -12.618 -1.999 -0.634 1.00 0.00 H new ATOM 224 N TYR A 16 -16.094 -0.303 -1.882 1.00 0.00 N ATOM 225 CA TYR A 16 -17.551 -0.572 -1.677 1.00 0.00 C ATOM 226 C TYR A 16 -18.381 0.211 -2.698 1.00 0.00 C ATOM 227 O TYR A 16 -19.455 -0.207 -3.086 1.00 0.00 O ATOM 228 CB TYR A 16 -17.855 -0.089 -0.256 1.00 0.00 C ATOM 229 CG TYR A 16 -19.146 -0.713 0.220 1.00 0.00 C ATOM 230 CD1 TYR A 16 -20.373 -0.149 -0.148 1.00 0.00 C ATOM 231 CD2 TYR A 16 -19.114 -1.854 1.029 1.00 0.00 C ATOM 232 CE1 TYR A 16 -21.569 -0.727 0.292 1.00 0.00 C ATOM 233 CE2 TYR A 16 -20.311 -2.433 1.470 1.00 0.00 C ATOM 234 CZ TYR A 16 -21.538 -1.869 1.102 1.00 0.00 C ATOM 235 OH TYR A 16 -22.717 -2.439 1.536 1.00 0.00 O ATOM 0 H TYR A 16 -15.637 0.202 -1.123 1.00 0.00 H new ATOM 0 HA TYR A 16 -17.796 -1.626 -1.807 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -17.039 -0.359 0.414 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -17.935 0.998 -0.239 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -20.397 0.732 -0.772 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -18.167 -2.288 1.313 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -22.516 -0.293 0.007 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -20.287 -3.314 2.094 1.00 0.00 H new ATOM 0 HH TYR A 16 -23.230 -2.758 0.764 1.00 0.00 H new ATOM 245 N ALA A 17 -17.886 1.342 -3.133 1.00 0.00 N ATOM 246 CA ALA A 17 -18.641 2.160 -4.133 1.00 0.00 C ATOM 247 C ALA A 17 -18.609 1.476 -5.502 1.00 0.00 C ATOM 248 O ALA A 17 -19.558 1.544 -6.261 1.00 0.00 O ATOM 249 CB ALA A 17 -17.913 3.504 -4.187 1.00 0.00 C ATOM 0 H ALA A 17 -16.992 1.735 -2.840 1.00 0.00 H new ATOM 0 HA ALA A 17 -19.689 2.280 -3.859 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.411 4.159 -4.902 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -17.928 3.966 -3.200 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -16.880 3.346 -4.498 1.00 0.00 H new ATOM 255 N PHE A 18 -17.523 0.818 -5.820 1.00 0.00 N ATOM 256 CA PHE A 18 -17.421 0.123 -7.138 1.00 0.00 C ATOM 257 C PHE A 18 -18.186 -1.202 -7.096 1.00 0.00 C ATOM 258 O PHE A 18 -18.689 -1.670 -8.100 1.00 0.00 O ATOM 259 CB PHE A 18 -15.925 -0.126 -7.344 1.00 0.00 C ATOM 260 CG PHE A 18 -15.264 1.144 -7.820 1.00 0.00 C ATOM 261 CD1 PHE A 18 -15.538 1.638 -9.101 1.00 0.00 C ATOM 262 CD2 PHE A 18 -14.376 1.829 -6.981 1.00 0.00 C ATOM 263 CE1 PHE A 18 -14.923 2.816 -9.543 1.00 0.00 C ATOM 264 CE2 PHE A 18 -13.762 3.007 -7.423 1.00 0.00 C ATOM 265 CZ PHE A 18 -14.036 3.500 -8.705 1.00 0.00 C ATOM 0 H PHE A 18 -16.701 0.732 -5.222 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.849 0.712 -7.949 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.469 -0.458 -6.411 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.775 -0.922 -8.073 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.223 1.111 -9.748 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -14.165 1.448 -5.993 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.134 3.197 -10.532 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.078 3.535 -6.776 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.562 4.408 -9.047 1.00 0.00 H new ATOM 275 N PHE A 19 -18.276 -1.807 -5.938 1.00 0.00 N ATOM 276 CA PHE A 19 -19.010 -3.105 -5.820 1.00 0.00 C ATOM 277 C PHE A 19 -20.490 -2.905 -6.156 1.00 0.00 C ATOM 278 O PHE A 19 -21.045 -3.599 -6.987 1.00 0.00 O ATOM 279 CB PHE A 19 -18.844 -3.531 -4.359 1.00 0.00 C ATOM 280 CG PHE A 19 -19.182 -4.994 -4.219 1.00 0.00 C ATOM 281 CD1 PHE A 19 -18.341 -5.965 -4.778 1.00 0.00 C ATOM 282 CD2 PHE A 19 -20.337 -5.382 -3.530 1.00 0.00 C ATOM 283 CE1 PHE A 19 -18.656 -7.322 -4.646 1.00 0.00 C ATOM 284 CE2 PHE A 19 -20.652 -6.739 -3.398 1.00 0.00 C ATOM 285 CZ PHE A 19 -19.812 -7.710 -3.957 1.00 0.00 C ATOM 0 H PHE A 19 -17.873 -1.458 -5.068 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.625 -3.859 -6.507 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -17.820 -3.351 -4.031 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.494 -2.934 -3.719 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.450 -5.666 -5.310 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -20.986 -4.633 -3.100 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -18.007 -8.071 -5.076 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -21.543 -7.037 -2.865 1.00 0.00 H new ATOM 0 HZ PHE A 19 -20.055 -8.757 -3.857 1.00 0.00 H new ATOM 295 N VAL A 20 -21.128 -1.956 -5.518 1.00 0.00 N ATOM 296 CA VAL A 20 -22.576 -1.699 -5.796 1.00 0.00 C ATOM 297 C VAL A 20 -22.739 -1.104 -7.200 1.00 0.00 C ATOM 298 O VAL A 20 -23.755 -1.286 -7.843 1.00 0.00 O ATOM 299 CB VAL A 20 -23.020 -0.700 -4.722 1.00 0.00 C ATOM 300 CG1 VAL A 20 -24.491 -0.324 -4.931 1.00 0.00 C ATOM 301 CG2 VAL A 20 -22.854 -1.336 -3.340 1.00 0.00 C ATOM 0 H VAL A 20 -20.709 -1.347 -4.815 1.00 0.00 H new ATOM 0 HA VAL A 20 -23.175 -2.609 -5.766 1.00 0.00 H new ATOM 0 HB VAL A 20 -22.407 0.198 -4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -24.798 0.386 -4.163 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -24.614 0.129 -5.915 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -25.109 -1.220 -4.864 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -23.169 -0.628 -2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -23.467 -2.235 -3.277 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -21.808 -1.598 -3.184 1.00 0.00 H new ATOM 311 N GLN A 21 -21.743 -0.399 -7.677 1.00 0.00 N ATOM 312 CA GLN A 21 -21.834 0.208 -9.040 1.00 0.00 C ATOM 313 C GLN A 21 -21.717 -0.881 -10.110 1.00 0.00 C ATOM 314 O GLN A 21 -22.389 -0.840 -11.123 1.00 0.00 O ATOM 315 CB GLN A 21 -20.654 1.176 -9.130 1.00 0.00 C ATOM 316 CG GLN A 21 -20.835 2.091 -10.343 1.00 0.00 C ATOM 317 CD GLN A 21 -21.902 3.143 -10.035 1.00 0.00 C ATOM 318 OE1 GLN A 21 -21.827 3.827 -9.032 1.00 0.00 O ATOM 319 NE2 GLN A 21 -22.900 3.303 -10.860 1.00 0.00 N ATOM 0 H GLN A 21 -20.871 -0.218 -7.181 1.00 0.00 H new ATOM 0 HA GLN A 21 -22.785 0.715 -9.201 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -20.588 1.771 -8.219 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -19.720 0.621 -9.216 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -19.891 2.577 -10.589 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -21.128 1.504 -11.214 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -22.963 2.730 -11.701 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -23.617 4.001 -10.664 1.00 0.00 H new ATOM 328 N THR A 22 -20.872 -1.855 -9.885 1.00 0.00 N ATOM 329 CA THR A 22 -20.705 -2.954 -10.882 1.00 0.00 C ATOM 330 C THR A 22 -21.789 -4.017 -10.682 1.00 0.00 C ATOM 331 O THR A 22 -22.193 -4.687 -11.614 1.00 0.00 O ATOM 332 CB THR A 22 -19.320 -3.540 -10.599 1.00 0.00 C ATOM 333 OG1 THR A 22 -18.357 -2.495 -10.605 1.00 0.00 O ATOM 334 CG2 THR A 22 -18.968 -4.567 -11.677 1.00 0.00 C ATOM 0 H THR A 22 -20.290 -1.936 -9.052 1.00 0.00 H new ATOM 0 HA THR A 22 -20.794 -2.598 -11.908 1.00 0.00 H new ATOM 0 HB THR A 22 -19.323 -4.028 -9.624 1.00 0.00 H new ATOM 0 HG1 THR A 22 -18.273 -2.123 -9.702 1.00 0.00 H new ATOM 0 HG21 THR A 22 -17.981 -4.984 -11.474 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.708 -5.367 -11.672 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.964 -4.083 -12.653 1.00 0.00 H new ATOM 342 N SER A 23 -22.261 -4.172 -9.471 1.00 0.00 N ATOM 343 CA SER A 23 -23.322 -5.187 -9.199 1.00 0.00 C ATOM 344 C SER A 23 -24.688 -4.658 -9.647 1.00 0.00 C ATOM 345 O SER A 23 -25.567 -5.417 -10.011 1.00 0.00 O ATOM 346 CB SER A 23 -23.298 -5.395 -7.685 1.00 0.00 C ATOM 347 OG SER A 23 -22.104 -6.079 -7.324 1.00 0.00 O ATOM 0 H SER A 23 -21.956 -3.638 -8.657 1.00 0.00 H new ATOM 0 HA SER A 23 -23.149 -6.118 -9.739 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.349 -4.434 -7.173 1.00 0.00 H new ATOM 0 HB3 SER A 23 -24.169 -5.970 -7.371 1.00 0.00 H new ATOM 0 HG SER A 23 -21.405 -5.426 -7.109 1.00 0.00 H new ATOM 353 N ARG A 24 -24.867 -3.361 -9.625 1.00 0.00 N ATOM 354 CA ARG A 24 -26.175 -2.775 -10.051 1.00 0.00 C ATOM 355 C ARG A 24 -26.313 -2.849 -11.574 1.00 0.00 C ATOM 356 O ARG A 24 -27.379 -3.119 -12.096 1.00 0.00 O ATOM 357 CB ARG A 24 -26.132 -1.317 -9.587 1.00 0.00 C ATOM 358 CG ARG A 24 -27.497 -0.666 -9.822 1.00 0.00 C ATOM 359 CD ARG A 24 -27.646 0.550 -8.906 1.00 0.00 C ATOM 360 NE ARG A 24 -28.609 1.444 -9.608 1.00 0.00 N ATOM 361 CZ ARG A 24 -29.616 1.956 -8.956 1.00 0.00 C ATOM 362 NH1 ARG A 24 -29.477 3.091 -8.327 1.00 0.00 N ATOM 363 NH2 ARG A 24 -30.763 1.333 -8.934 1.00 0.00 N ATOM 0 H ARG A 24 -24.164 -2.683 -9.331 1.00 0.00 H new ATOM 0 HA ARG A 24 -27.024 -3.310 -9.626 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -25.871 -1.268 -8.530 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -25.360 -0.774 -10.131 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -27.593 -0.363 -10.865 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -28.293 -1.384 -9.624 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -28.019 0.261 -7.924 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -26.688 1.046 -8.750 1.00 0.00 H new ATOM 0 HE ARG A 24 -28.481 1.656 -10.598 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -28.581 3.578 -8.345 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -30.265 3.491 -7.817 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -30.871 0.446 -9.426 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -31.551 1.733 -8.424 1.00 0.00 H new ATOM 377 N GLU A 25 -25.241 -2.615 -12.288 1.00 0.00 N ATOM 378 CA GLU A 25 -25.301 -2.674 -13.781 1.00 0.00 C ATOM 379 C GLU A 25 -25.691 -4.082 -14.234 1.00 0.00 C ATOM 380 O GLU A 25 -26.617 -4.261 -15.004 1.00 0.00 O ATOM 381 CB GLU A 25 -23.888 -2.331 -14.258 1.00 0.00 C ATOM 382 CG GLU A 25 -23.662 -0.824 -14.134 1.00 0.00 C ATOM 383 CD GLU A 25 -22.548 -0.393 -15.090 1.00 0.00 C ATOM 384 OE1 GLU A 25 -22.774 -0.433 -16.288 1.00 0.00 O ATOM 385 OE2 GLU A 25 -21.488 -0.030 -14.607 1.00 0.00 O ATOM 0 H GLU A 25 -24.326 -2.385 -11.901 1.00 0.00 H new ATOM 0 HA GLU A 25 -26.042 -1.987 -14.189 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -23.151 -2.871 -13.664 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -23.755 -2.646 -15.293 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -24.582 -0.288 -14.366 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -23.394 -0.569 -13.109 1.00 0.00 H new ATOM 392 N GLU A 26 -24.995 -5.082 -13.755 1.00 0.00 N ATOM 393 CA GLU A 26 -25.322 -6.487 -14.147 1.00 0.00 C ATOM 394 C GLU A 26 -26.756 -6.833 -13.726 1.00 0.00 C ATOM 395 O GLU A 26 -27.397 -7.681 -14.317 1.00 0.00 O ATOM 396 CB GLU A 26 -24.316 -7.362 -13.394 1.00 0.00 C ATOM 397 CG GLU A 26 -24.517 -8.826 -13.787 1.00 0.00 C ATOM 398 CD GLU A 26 -23.398 -9.675 -13.179 1.00 0.00 C ATOM 399 OE1 GLU A 26 -22.279 -9.573 -13.654 1.00 0.00 O ATOM 400 OE2 GLU A 26 -23.681 -10.413 -12.249 1.00 0.00 O ATOM 0 H GLU A 26 -24.213 -4.986 -13.108 1.00 0.00 H new ATOM 0 HA GLU A 26 -25.260 -6.637 -15.225 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -23.299 -7.048 -13.628 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -24.447 -7.242 -12.319 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -25.487 -9.178 -13.436 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -24.515 -8.926 -14.872 1.00 0.00 H new ATOM 407 N HIS A 27 -27.260 -6.177 -12.710 1.00 0.00 N ATOM 408 CA HIS A 27 -28.655 -6.458 -12.247 1.00 0.00 C ATOM 409 C HIS A 27 -29.660 -5.763 -13.169 1.00 0.00 C ATOM 410 O HIS A 27 -30.726 -6.282 -13.441 1.00 0.00 O ATOM 411 CB HIS A 27 -28.731 -5.878 -10.833 1.00 0.00 C ATOM 412 CG HIS A 27 -30.041 -6.262 -10.203 1.00 0.00 C ATOM 413 ND1 HIS A 27 -30.223 -7.474 -9.556 1.00 0.00 N ATOM 414 CD2 HIS A 27 -31.242 -5.604 -10.111 1.00 0.00 C ATOM 415 CE1 HIS A 27 -31.491 -7.507 -9.107 1.00 0.00 C ATOM 416 NE2 HIS A 27 -32.156 -6.392 -9.418 1.00 0.00 N ATOM 0 H HIS A 27 -26.766 -5.459 -12.181 1.00 0.00 H new ATOM 0 HA HIS A 27 -28.891 -7.522 -12.260 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -27.903 -6.251 -10.231 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -28.637 -4.793 -10.868 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -31.447 -4.624 -10.515 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -31.919 -8.335 -8.561 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -33.125 -6.166 -9.196 1.00 0.00 H new ATOM 424 N LYS A 28 -29.322 -4.595 -13.654 1.00 0.00 N ATOM 425 CA LYS A 28 -30.251 -3.860 -14.567 1.00 0.00 C ATOM 426 C LYS A 28 -30.195 -4.472 -15.970 1.00 0.00 C ATOM 427 O LYS A 28 -29.796 -3.831 -16.924 1.00 0.00 O ATOM 428 CB LYS A 28 -29.738 -2.418 -14.583 1.00 0.00 C ATOM 429 CG LYS A 28 -30.315 -1.656 -13.388 1.00 0.00 C ATOM 430 CD LYS A 28 -31.791 -1.348 -13.642 1.00 0.00 C ATOM 431 CE LYS A 28 -32.352 -0.538 -12.472 1.00 0.00 C ATOM 432 NZ LYS A 28 -31.974 0.873 -12.764 1.00 0.00 N ATOM 0 H LYS A 28 -28.442 -4.118 -13.457 1.00 0.00 H new ATOM 0 HA LYS A 28 -31.288 -3.913 -14.237 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -28.649 -2.408 -14.542 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -30.027 -1.929 -15.513 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -30.208 -2.249 -12.479 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -29.761 -0.730 -13.232 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -31.902 -0.789 -14.571 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -32.352 -2.275 -13.758 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -33.434 -0.650 -12.397 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -31.931 -0.871 -11.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -31.714 1.353 -11.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -31.164 0.888 -13.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -32.779 1.365 -13.201 1.00 0.00 H new ATOM 446 N LYS A 29 -30.595 -5.711 -16.094 1.00 0.00 N ATOM 447 CA LYS A 29 -30.569 -6.385 -17.427 1.00 0.00 C ATOM 448 C LYS A 29 -31.347 -7.702 -17.362 1.00 0.00 C ATOM 449 O LYS A 29 -32.087 -8.042 -18.267 1.00 0.00 O ATOM 450 CB LYS A 29 -29.089 -6.650 -17.708 1.00 0.00 C ATOM 451 CG LYS A 29 -28.815 -6.493 -19.204 1.00 0.00 C ATOM 452 CD LYS A 29 -27.335 -6.766 -19.482 1.00 0.00 C ATOM 453 CE LYS A 29 -27.142 -8.250 -19.803 1.00 0.00 C ATOM 454 NZ LYS A 29 -25.667 -8.458 -19.776 1.00 0.00 N ATOM 0 H LYS A 29 -30.940 -6.287 -15.326 1.00 0.00 H new ATOM 0 HA LYS A 29 -31.029 -5.779 -18.208 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -28.470 -5.955 -17.140 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -28.821 -7.655 -17.382 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -29.437 -7.184 -19.773 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -29.078 -5.486 -19.529 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -26.992 -6.155 -20.317 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -26.734 -6.489 -18.616 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -27.644 -8.882 -19.070 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -27.559 -8.501 -20.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -25.453 -9.454 -19.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -25.217 -7.848 -20.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -25.300 -8.217 -18.833 1.00 0.00 H new ATOM 468 N LYS A 30 -31.187 -8.439 -16.294 1.00 0.00 N ATOM 469 CA LYS A 30 -31.919 -9.739 -16.151 1.00 0.00 C ATOM 470 C LYS A 30 -33.030 -9.619 -15.104 1.00 0.00 C ATOM 471 O LYS A 30 -33.462 -10.603 -14.537 1.00 0.00 O ATOM 472 CB LYS A 30 -30.869 -10.778 -15.717 1.00 0.00 C ATOM 473 CG LYS A 30 -30.083 -10.282 -14.499 1.00 0.00 C ATOM 474 CD LYS A 30 -29.790 -11.456 -13.562 1.00 0.00 C ATOM 475 CE LYS A 30 -28.719 -12.354 -14.187 1.00 0.00 C ATOM 476 NZ LYS A 30 -28.042 -13.006 -13.032 1.00 0.00 N ATOM 0 H LYS A 30 -30.580 -8.198 -15.511 1.00 0.00 H new ATOM 0 HA LYS A 30 -32.397 -10.030 -17.086 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -31.361 -11.721 -15.478 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -30.184 -10.976 -16.542 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -29.150 -9.819 -14.820 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -30.654 -9.517 -13.972 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -29.450 -11.087 -12.594 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -30.700 -12.028 -13.383 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -29.163 -13.094 -14.853 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -28.014 -11.773 -14.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -27.293 -13.638 -13.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -27.623 -12.278 -12.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -28.736 -13.558 -12.489 1.00 0.00 H new ATOM 490 N HIS A 31 -33.504 -8.421 -14.855 1.00 0.00 N ATOM 491 CA HIS A 31 -34.596 -8.232 -13.852 1.00 0.00 C ATOM 492 C HIS A 31 -35.534 -7.098 -14.300 1.00 0.00 C ATOM 493 O HIS A 31 -35.459 -6.000 -13.784 1.00 0.00 O ATOM 494 CB HIS A 31 -33.883 -7.862 -12.550 1.00 0.00 C ATOM 495 CG HIS A 31 -33.024 -9.013 -12.109 1.00 0.00 C ATOM 496 ND1 HIS A 31 -33.522 -10.299 -11.983 1.00 0.00 N ATOM 497 CD2 HIS A 31 -31.695 -9.091 -11.776 1.00 0.00 C ATOM 498 CE1 HIS A 31 -32.506 -11.089 -11.594 1.00 0.00 C ATOM 499 NE2 HIS A 31 -31.371 -10.403 -11.449 1.00 0.00 N ATOM 0 H HIS A 31 -33.180 -7.565 -15.305 1.00 0.00 H new ATOM 0 HA HIS A 31 -35.211 -9.125 -13.736 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -33.271 -6.972 -12.697 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -34.614 -7.622 -11.778 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -34.484 -10.593 -12.154 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -31.006 -8.260 -11.769 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -32.598 -12.151 -11.420 1.00 0.00 H new ATOM 507 N PRO A 32 -36.395 -7.392 -15.254 1.00 0.00 N ATOM 508 CA PRO A 32 -37.339 -6.363 -15.756 1.00 0.00 C ATOM 509 C PRO A 32 -38.438 -6.092 -14.723 1.00 0.00 C ATOM 510 O PRO A 32 -38.711 -4.958 -14.379 1.00 0.00 O ATOM 511 CB PRO A 32 -37.924 -6.992 -17.018 1.00 0.00 C ATOM 512 CG PRO A 32 -37.779 -8.467 -16.820 1.00 0.00 C ATOM 513 CD PRO A 32 -36.571 -8.681 -15.945 1.00 0.00 C ATOM 0 HA PRO A 32 -36.859 -5.403 -15.948 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -38.969 -6.713 -17.150 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -37.390 -6.659 -17.908 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -38.672 -8.882 -16.352 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -37.656 -8.974 -17.777 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -36.731 -9.494 -15.237 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -35.692 -8.940 -16.535 1.00 0.00 H new ATOM 521 N ASP A 33 -39.068 -7.128 -14.231 1.00 0.00 N ATOM 522 CA ASP A 33 -40.153 -6.943 -13.221 1.00 0.00 C ATOM 523 C ASP A 33 -39.577 -7.024 -11.803 1.00 0.00 C ATOM 524 O ASP A 33 -39.977 -7.854 -11.007 1.00 0.00 O ATOM 525 CB ASP A 33 -41.130 -8.093 -13.475 1.00 0.00 C ATOM 526 CG ASP A 33 -41.949 -7.799 -14.733 1.00 0.00 C ATOM 527 OD1 ASP A 33 -41.360 -7.743 -15.800 1.00 0.00 O ATOM 528 OD2 ASP A 33 -43.151 -7.635 -14.608 1.00 0.00 O ATOM 0 H ASP A 33 -38.877 -8.097 -14.486 1.00 0.00 H new ATOM 0 HA ASP A 33 -40.639 -5.971 -13.308 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -40.584 -9.029 -13.594 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -41.792 -8.218 -12.618 1.00 0.00 H new ATOM 533 N SER A 34 -38.641 -6.166 -11.486 1.00 0.00 N ATOM 534 CA SER A 34 -38.033 -6.184 -10.121 1.00 0.00 C ATOM 535 C SER A 34 -37.233 -4.901 -9.881 1.00 0.00 C ATOM 536 O SER A 34 -36.414 -4.509 -10.690 1.00 0.00 O ATOM 537 CB SER A 34 -37.107 -7.400 -10.118 1.00 0.00 C ATOM 538 OG SER A 34 -36.961 -7.875 -8.786 1.00 0.00 O ATOM 0 H SER A 34 -38.271 -5.453 -12.114 1.00 0.00 H new ATOM 0 HA SER A 34 -38.785 -6.241 -9.334 1.00 0.00 H new ATOM 0 HB2 SER A 34 -37.517 -8.185 -10.754 1.00 0.00 H new ATOM 0 HB3 SER A 34 -36.134 -7.132 -10.530 1.00 0.00 H new ATOM 0 HG SER A 34 -36.369 -8.656 -8.780 1.00 0.00 H new ATOM 544 N SER A 35 -37.466 -4.248 -8.770 1.00 0.00 N ATOM 545 CA SER A 35 -36.726 -2.992 -8.463 1.00 0.00 C ATOM 546 C SER A 35 -35.434 -3.315 -7.710 1.00 0.00 C ATOM 547 O SER A 35 -35.155 -4.460 -7.406 1.00 0.00 O ATOM 548 CB SER A 35 -37.673 -2.181 -7.579 1.00 0.00 C ATOM 549 OG SER A 35 -38.832 -1.836 -8.326 1.00 0.00 O ATOM 0 H SER A 35 -38.141 -4.535 -8.061 1.00 0.00 H new ATOM 0 HA SER A 35 -36.443 -2.447 -9.363 1.00 0.00 H new ATOM 0 HB2 SER A 35 -37.953 -2.760 -6.699 1.00 0.00 H new ATOM 0 HB3 SER A 35 -37.174 -1.280 -7.223 1.00 0.00 H new ATOM 0 HG SER A 35 -39.443 -1.317 -7.762 1.00 0.00 H new ATOM 555 N VAL A 36 -34.644 -2.315 -7.408 1.00 0.00 N ATOM 556 CA VAL A 36 -33.366 -2.561 -6.674 1.00 0.00 C ATOM 557 C VAL A 36 -32.777 -1.237 -6.168 1.00 0.00 C ATOM 558 O VAL A 36 -31.751 -0.786 -6.642 1.00 0.00 O ATOM 559 CB VAL A 36 -32.440 -3.225 -7.701 1.00 0.00 C ATOM 560 CG1 VAL A 36 -32.212 -2.287 -8.890 1.00 0.00 C ATOM 561 CG2 VAL A 36 -31.096 -3.548 -7.044 1.00 0.00 C ATOM 0 H VAL A 36 -34.829 -1.339 -7.638 1.00 0.00 H new ATOM 0 HA VAL A 36 -33.506 -3.190 -5.795 1.00 0.00 H new ATOM 0 HB VAL A 36 -32.906 -4.144 -8.056 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -31.553 -2.769 -9.612 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -33.167 -2.062 -9.364 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -31.753 -1.362 -8.541 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -30.438 -4.020 -7.774 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -30.637 -2.628 -6.683 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -31.254 -4.227 -6.206 1.00 0.00 H new ATOM 571 N ASN A 37 -33.414 -0.622 -5.202 1.00 0.00 N ATOM 572 CA ASN A 37 -32.888 0.669 -4.654 1.00 0.00 C ATOM 573 C ASN A 37 -31.488 0.450 -4.074 1.00 0.00 C ATOM 574 O ASN A 37 -30.919 -0.617 -4.213 1.00 0.00 O ATOM 575 CB ASN A 37 -33.870 1.071 -3.551 1.00 0.00 C ATOM 576 CG ASN A 37 -35.054 1.819 -4.167 1.00 0.00 C ATOM 577 OD1 ASN A 37 -35.415 1.579 -5.303 1.00 0.00 O ATOM 578 ND2 ASN A 37 -35.678 2.722 -3.462 1.00 0.00 N ATOM 0 H ASN A 37 -34.275 -0.957 -4.769 1.00 0.00 H new ATOM 0 HA ASN A 37 -32.806 1.442 -5.418 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -34.222 0.185 -3.022 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -33.370 1.703 -2.817 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -36.468 3.226 -3.864 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -35.376 2.924 -2.509 1.00 0.00 H new ATOM 585 N PHE A 38 -30.930 1.443 -3.428 1.00 0.00 N ATOM 586 CA PHE A 38 -29.565 1.272 -2.846 1.00 0.00 C ATOM 587 C PHE A 38 -29.627 0.372 -1.616 1.00 0.00 C ATOM 588 O PHE A 38 -28.791 -0.479 -1.437 1.00 0.00 O ATOM 589 CB PHE A 38 -29.088 2.669 -2.450 1.00 0.00 C ATOM 590 CG PHE A 38 -29.046 3.552 -3.674 1.00 0.00 C ATOM 591 CD1 PHE A 38 -28.032 3.375 -4.623 1.00 0.00 C ATOM 592 CD2 PHE A 38 -30.015 4.545 -3.860 1.00 0.00 C ATOM 593 CE1 PHE A 38 -27.987 4.190 -5.760 1.00 0.00 C ATOM 594 CE2 PHE A 38 -29.969 5.361 -4.997 1.00 0.00 C ATOM 595 CZ PHE A 38 -28.955 5.182 -5.947 1.00 0.00 C ATOM 0 H PHE A 38 -31.357 2.357 -3.279 1.00 0.00 H new ATOM 0 HA PHE A 38 -28.885 0.808 -3.561 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -29.758 3.096 -1.703 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -28.099 2.612 -1.995 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -27.284 2.609 -4.478 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -30.797 4.682 -3.128 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -27.205 4.053 -6.492 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -30.715 6.128 -5.142 1.00 0.00 H new ATOM 0 HZ PHE A 38 -28.921 5.811 -6.825 1.00 0.00 H new ATOM 605 N ALA A 39 -30.604 0.554 -0.766 1.00 0.00 N ATOM 606 CA ALA A 39 -30.697 -0.302 0.457 1.00 0.00 C ATOM 607 C ALA A 39 -31.125 -1.717 0.089 1.00 0.00 C ATOM 608 O ALA A 39 -30.591 -2.680 0.600 1.00 0.00 O ATOM 609 CB ALA A 39 -31.739 0.370 1.351 1.00 0.00 C ATOM 0 H ALA A 39 -31.339 1.255 -0.864 1.00 0.00 H new ATOM 0 HA ALA A 39 -29.736 -0.391 0.963 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -31.858 -0.207 2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -31.410 1.380 1.597 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -32.693 0.417 0.826 1.00 0.00 H new ATOM 615 N GLU A 40 -32.070 -1.854 -0.803 1.00 0.00 N ATOM 616 CA GLU A 40 -32.510 -3.220 -1.210 1.00 0.00 C ATOM 617 C GLU A 40 -31.346 -3.974 -1.865 1.00 0.00 C ATOM 618 O GLU A 40 -31.385 -5.183 -2.001 1.00 0.00 O ATOM 619 CB GLU A 40 -33.645 -3.000 -2.212 1.00 0.00 C ATOM 620 CG GLU A 40 -34.871 -2.449 -1.482 1.00 0.00 C ATOM 621 CD GLU A 40 -35.498 -3.553 -0.630 1.00 0.00 C ATOM 622 OE1 GLU A 40 -36.014 -4.497 -1.206 1.00 0.00 O ATOM 623 OE2 GLU A 40 -35.453 -3.436 0.584 1.00 0.00 O ATOM 0 H GLU A 40 -32.554 -1.084 -1.265 1.00 0.00 H new ATOM 0 HA GLU A 40 -32.838 -3.817 -0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -33.328 -2.304 -2.989 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -33.895 -3.939 -2.707 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -34.584 -1.608 -0.851 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -35.598 -2.074 -2.202 1.00 0.00 H new ATOM 630 N PHE A 41 -30.311 -3.273 -2.277 1.00 0.00 N ATOM 631 CA PHE A 41 -29.155 -3.955 -2.925 1.00 0.00 C ATOM 632 C PHE A 41 -27.905 -3.869 -2.044 1.00 0.00 C ATOM 633 O PHE A 41 -27.199 -4.841 -1.858 1.00 0.00 O ATOM 634 CB PHE A 41 -28.948 -3.208 -4.242 1.00 0.00 C ATOM 635 CG PHE A 41 -28.157 -4.069 -5.196 1.00 0.00 C ATOM 636 CD1 PHE A 41 -28.635 -5.335 -5.556 1.00 0.00 C ATOM 637 CD2 PHE A 41 -26.948 -3.601 -5.722 1.00 0.00 C ATOM 638 CE1 PHE A 41 -27.902 -6.132 -6.443 1.00 0.00 C ATOM 639 CE2 PHE A 41 -26.214 -4.398 -6.608 1.00 0.00 C ATOM 640 CZ PHE A 41 -26.692 -5.664 -6.968 1.00 0.00 C ATOM 0 H PHE A 41 -30.223 -2.261 -2.190 1.00 0.00 H new ATOM 0 HA PHE A 41 -29.341 -5.017 -3.082 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -29.912 -2.952 -4.682 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -28.422 -2.271 -4.061 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -29.568 -5.696 -5.150 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -26.581 -2.624 -5.444 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -28.270 -7.108 -6.722 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -25.280 -4.037 -7.013 1.00 0.00 H new ATOM 0 HZ PHE A 41 -26.126 -6.280 -7.651 1.00 0.00 H new ATOM 650 N SER A 42 -27.633 -2.714 -1.497 1.00 0.00 N ATOM 651 CA SER A 42 -26.432 -2.547 -0.617 1.00 0.00 C ATOM 652 C SER A 42 -26.493 -3.536 0.555 1.00 0.00 C ATOM 653 O SER A 42 -25.484 -3.883 1.137 1.00 0.00 O ATOM 654 CB SER A 42 -26.503 -1.103 -0.113 1.00 0.00 C ATOM 655 OG SER A 42 -27.609 -0.967 0.768 1.00 0.00 O ATOM 0 H SER A 42 -28.194 -1.871 -1.621 1.00 0.00 H new ATOM 0 HA SER A 42 -25.500 -2.744 -1.147 1.00 0.00 H new ATOM 0 HB2 SER A 42 -25.579 -0.839 0.402 1.00 0.00 H new ATOM 0 HB3 SER A 42 -26.607 -0.417 -0.954 1.00 0.00 H new ATOM 0 HG SER A 42 -27.685 -0.033 1.056 1.00 0.00 H new ATOM 661 N LYS A 43 -27.674 -3.997 0.894 1.00 0.00 N ATOM 662 CA LYS A 43 -27.810 -4.971 2.016 1.00 0.00 C ATOM 663 C LYS A 43 -27.423 -6.371 1.536 1.00 0.00 C ATOM 664 O LYS A 43 -26.928 -7.184 2.294 1.00 0.00 O ATOM 665 CB LYS A 43 -29.291 -4.928 2.399 1.00 0.00 C ATOM 666 CG LYS A 43 -29.480 -4.026 3.621 1.00 0.00 C ATOM 667 CD LYS A 43 -30.971 -3.759 3.832 1.00 0.00 C ATOM 668 CE LYS A 43 -31.626 -4.988 4.467 1.00 0.00 C ATOM 669 NZ LYS A 43 -33.063 -4.628 4.609 1.00 0.00 N ATOM 0 H LYS A 43 -28.549 -3.738 0.439 1.00 0.00 H new ATOM 0 HA LYS A 43 -27.164 -4.729 2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -29.882 -4.554 1.563 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -29.650 -5.934 2.618 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -29.056 -4.501 4.506 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -28.948 -3.086 3.478 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -31.108 -2.889 4.474 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -31.449 -3.531 2.879 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -31.500 -5.871 3.840 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -31.179 -5.218 5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -33.579 -5.422 5.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -33.152 -3.789 5.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -33.463 -4.421 3.672 1.00 0.00 H new ATOM 683 N LYS A 44 -27.648 -6.654 0.277 1.00 0.00 N ATOM 684 CA LYS A 44 -27.297 -7.998 -0.270 1.00 0.00 C ATOM 685 C LYS A 44 -25.827 -8.027 -0.695 1.00 0.00 C ATOM 686 O LYS A 44 -25.103 -8.954 -0.385 1.00 0.00 O ATOM 687 CB LYS A 44 -28.210 -8.179 -1.483 1.00 0.00 C ATOM 688 CG LYS A 44 -28.253 -9.658 -1.875 1.00 0.00 C ATOM 689 CD LYS A 44 -27.171 -9.941 -2.919 1.00 0.00 C ATOM 690 CE LYS A 44 -27.589 -11.138 -3.776 1.00 0.00 C ATOM 691 NZ LYS A 44 -27.008 -10.869 -5.121 1.00 0.00 N ATOM 0 H LYS A 44 -28.061 -6.009 -0.397 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.431 -8.793 0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -29.214 -7.824 -1.252 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -27.845 -7.581 -2.318 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -28.097 -10.283 -0.996 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -29.235 -9.911 -2.276 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -27.020 -9.064 -3.549 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -26.221 -10.147 -2.427 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -27.210 -12.072 -3.362 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -28.674 -11.229 -3.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -27.252 -11.647 -5.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -27.392 -9.977 -5.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -25.974 -10.795 -5.044 1.00 0.00 H new ATOM 705 N CYS A 45 -25.383 -7.017 -1.401 1.00 0.00 N ATOM 706 CA CYS A 45 -23.956 -6.979 -1.847 1.00 0.00 C ATOM 707 C CYS A 45 -23.025 -6.969 -0.631 1.00 0.00 C ATOM 708 O CYS A 45 -21.907 -7.444 -0.692 1.00 0.00 O ATOM 709 CB CYS A 45 -23.812 -5.681 -2.646 1.00 0.00 C ATOM 710 SG CYS A 45 -24.603 -5.878 -4.263 1.00 0.00 S ATOM 0 H CYS A 45 -25.947 -6.217 -1.688 1.00 0.00 H new ATOM 0 HA CYS A 45 -23.691 -7.850 -2.446 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -24.270 -4.854 -2.103 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -22.758 -5.434 -2.772 1.00 0.00 H new ATOM 0 HG CYS A 45 -25.194 -4.769 -4.595 1.00 0.00 H new ATOM 716 N SER A 46 -23.484 -6.435 0.474 1.00 0.00 N ATOM 717 CA SER A 46 -22.631 -6.396 1.703 1.00 0.00 C ATOM 718 C SER A 46 -22.426 -7.813 2.244 1.00 0.00 C ATOM 719 O SER A 46 -21.391 -8.131 2.798 1.00 0.00 O ATOM 720 CB SER A 46 -23.410 -5.546 2.707 1.00 0.00 C ATOM 721 OG SER A 46 -24.617 -6.215 3.051 1.00 0.00 O ATOM 0 H SER A 46 -24.412 -6.025 0.578 1.00 0.00 H new ATOM 0 HA SER A 46 -21.642 -5.982 1.505 1.00 0.00 H new ATOM 0 HB2 SER A 46 -22.809 -5.374 3.600 1.00 0.00 H new ATOM 0 HB3 SER A 46 -23.632 -4.568 2.279 1.00 0.00 H new ATOM 0 HG SER A 46 -25.006 -6.621 2.249 1.00 0.00 H new ATOM 727 N GLU A 47 -23.408 -8.665 2.083 1.00 0.00 N ATOM 728 CA GLU A 47 -23.276 -10.069 2.584 1.00 0.00 C ATOM 729 C GLU A 47 -22.171 -10.796 1.815 1.00 0.00 C ATOM 730 O GLU A 47 -21.455 -11.612 2.365 1.00 0.00 O ATOM 731 CB GLU A 47 -24.634 -10.723 2.316 1.00 0.00 C ATOM 732 CG GLU A 47 -25.695 -10.083 3.214 1.00 0.00 C ATOM 733 CD GLU A 47 -26.765 -11.120 3.558 1.00 0.00 C ATOM 734 OE1 GLU A 47 -27.406 -11.608 2.643 1.00 0.00 O ATOM 735 OE2 GLU A 47 -26.926 -11.409 4.732 1.00 0.00 O ATOM 0 H GLU A 47 -24.295 -8.450 1.627 1.00 0.00 H new ATOM 0 HA GLU A 47 -23.012 -10.106 3.641 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -24.908 -10.601 1.268 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -24.578 -11.794 2.508 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -25.234 -9.704 4.126 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.149 -9.231 2.708 1.00 0.00 H new ATOM 742 N ARG A 48 -22.027 -10.500 0.549 1.00 0.00 N ATOM 743 CA ARG A 48 -20.968 -11.165 -0.267 1.00 0.00 C ATOM 744 C ARG A 48 -19.657 -10.381 -0.165 1.00 0.00 C ATOM 745 O ARG A 48 -18.587 -10.952 -0.084 1.00 0.00 O ATOM 746 CB ARG A 48 -21.499 -11.140 -1.700 1.00 0.00 C ATOM 747 CG ARG A 48 -20.809 -12.232 -2.520 1.00 0.00 C ATOM 748 CD ARG A 48 -21.580 -12.458 -3.822 1.00 0.00 C ATOM 749 NE ARG A 48 -20.672 -13.278 -4.670 1.00 0.00 N ATOM 750 CZ ARG A 48 -20.580 -13.038 -5.949 1.00 0.00 C ATOM 751 NH1 ARG A 48 -21.571 -13.339 -6.743 1.00 0.00 N ATOM 752 NH2 ARG A 48 -19.496 -12.497 -6.435 1.00 0.00 N ATOM 0 H ARG A 48 -22.600 -9.824 0.044 1.00 0.00 H new ATOM 0 HA ARG A 48 -20.759 -12.180 0.071 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -22.578 -11.296 -1.702 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -21.317 -10.164 -2.149 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -19.781 -11.942 -2.739 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -20.764 -13.158 -1.947 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -22.522 -12.975 -3.638 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -21.824 -11.512 -4.305 1.00 0.00 H new ATOM 0 HE ARG A 48 -20.122 -14.028 -4.251 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -22.418 -13.762 -6.364 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -21.499 -13.151 -7.743 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.721 -12.262 -5.815 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -19.424 -12.309 -7.435 1.00 0.00 H new ATOM 766 N TRP A 49 -19.738 -9.075 -0.170 1.00 0.00 N ATOM 767 CA TRP A 49 -18.502 -8.237 -0.073 1.00 0.00 C ATOM 768 C TRP A 49 -17.766 -8.529 1.241 1.00 0.00 C ATOM 769 O TRP A 49 -16.571 -8.760 1.254 1.00 0.00 O ATOM 770 CB TRP A 49 -18.999 -6.786 -0.105 1.00 0.00 C ATOM 771 CG TRP A 49 -17.835 -5.847 -0.041 1.00 0.00 C ATOM 772 CD1 TRP A 49 -17.589 -4.986 0.973 1.00 0.00 C ATOM 773 CD2 TRP A 49 -16.761 -5.659 -1.007 1.00 0.00 C ATOM 774 NE1 TRP A 49 -16.433 -4.282 0.691 1.00 0.00 N ATOM 775 CE2 TRP A 49 -15.885 -4.661 -0.518 1.00 0.00 C ATOM 776 CE3 TRP A 49 -16.463 -6.252 -2.247 1.00 0.00 C ATOM 777 CZ2 TRP A 49 -14.754 -4.265 -1.233 1.00 0.00 C ATOM 778 CZ3 TRP A 49 -15.326 -5.856 -2.969 1.00 0.00 C ATOM 779 CH2 TRP A 49 -14.474 -4.864 -2.464 1.00 0.00 C ATOM 0 H TRP A 49 -20.610 -8.550 -0.237 1.00 0.00 H new ATOM 0 HA TRP A 49 -17.800 -8.442 -0.881 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -19.571 -6.608 -1.016 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -19.671 -6.604 0.734 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -18.196 -4.868 1.858 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -16.034 -3.569 1.302 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -17.113 -7.017 -2.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -14.100 -3.502 -0.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -15.106 -6.319 -3.920 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -13.602 -4.563 -3.026 1.00 0.00 H new ATOM 790 N LYS A 50 -18.473 -8.515 2.341 1.00 0.00 N ATOM 791 CA LYS A 50 -17.823 -8.785 3.662 1.00 0.00 C ATOM 792 C LYS A 50 -17.283 -10.218 3.711 1.00 0.00 C ATOM 793 O LYS A 50 -16.351 -10.511 4.437 1.00 0.00 O ATOM 794 CB LYS A 50 -18.928 -8.591 4.701 1.00 0.00 C ATOM 795 CG LYS A 50 -18.995 -7.114 5.111 1.00 0.00 C ATOM 796 CD LYS A 50 -20.457 -6.692 5.275 1.00 0.00 C ATOM 797 CE LYS A 50 -20.547 -5.549 6.290 1.00 0.00 C ATOM 798 NZ LYS A 50 -20.759 -6.217 7.604 1.00 0.00 N ATOM 0 H LYS A 50 -19.475 -8.328 2.383 1.00 0.00 H new ATOM 0 HA LYS A 50 -16.976 -8.123 3.842 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -19.887 -8.909 4.291 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.733 -9.213 5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.455 -6.961 6.045 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -18.510 -6.495 4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -20.865 -6.374 4.316 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -21.056 -7.539 5.611 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -19.635 -4.951 6.293 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -21.370 -4.874 6.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -20.831 -5.498 8.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -21.637 -6.773 7.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -19.957 -6.848 7.806 1.00 0.00 H new ATOM 812 N THR A 51 -17.863 -11.111 2.949 1.00 0.00 N ATOM 813 CA THR A 51 -17.388 -12.528 2.951 1.00 0.00 C ATOM 814 C THR A 51 -16.357 -12.756 1.838 1.00 0.00 C ATOM 815 O THR A 51 -15.566 -13.679 1.900 1.00 0.00 O ATOM 816 CB THR A 51 -18.642 -13.365 2.697 1.00 0.00 C ATOM 817 OG1 THR A 51 -19.299 -12.889 1.533 1.00 0.00 O ATOM 818 CG2 THR A 51 -19.584 -13.253 3.898 1.00 0.00 C ATOM 0 H THR A 51 -18.646 -10.919 2.325 1.00 0.00 H new ATOM 0 HA THR A 51 -16.899 -12.793 3.888 1.00 0.00 H new ATOM 0 HB THR A 51 -18.360 -14.408 2.555 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.209 -12.607 1.763 1.00 0.00 H new ATOM 0 HG21 THR A 51 -20.478 -13.850 3.716 1.00 0.00 H new ATOM 0 HG22 THR A 51 -19.079 -13.619 4.792 1.00 0.00 H new ATOM 0 HG23 THR A 51 -19.867 -12.210 4.042 1.00 0.00 H new ATOM 826 N MET A 52 -16.361 -11.926 0.822 1.00 0.00 N ATOM 827 CA MET A 52 -15.381 -12.097 -0.298 1.00 0.00 C ATOM 828 C MET A 52 -13.945 -12.044 0.235 1.00 0.00 C ATOM 829 O MET A 52 -13.607 -11.205 1.049 1.00 0.00 O ATOM 830 CB MET A 52 -15.640 -10.922 -1.247 1.00 0.00 C ATOM 831 CG MET A 52 -16.829 -11.246 -2.170 1.00 0.00 C ATOM 832 SD MET A 52 -16.277 -11.340 -3.895 1.00 0.00 S ATOM 833 CE MET A 52 -15.925 -9.579 -4.115 1.00 0.00 C ATOM 0 H MET A 52 -17.000 -11.138 0.720 1.00 0.00 H new ATOM 0 HA MET A 52 -15.500 -13.058 -0.798 1.00 0.00 H new ATOM 0 HB2 MET A 52 -15.849 -10.019 -0.673 1.00 0.00 H new ATOM 0 HB3 MET A 52 -14.750 -10.722 -1.843 1.00 0.00 H new ATOM 0 HG2 MET A 52 -17.281 -12.192 -1.873 1.00 0.00 H new ATOM 0 HG3 MET A 52 -17.597 -10.480 -2.068 1.00 0.00 H new ATOM 0 HE1 MET A 52 -16.103 -9.299 -5.153 1.00 0.00 H new ATOM 0 HE2 MET A 52 -16.576 -8.994 -3.465 1.00 0.00 H new ATOM 0 HE3 MET A 52 -14.884 -9.381 -3.859 1.00 0.00 H new ATOM 843 N SER A 53 -13.101 -12.937 -0.220 1.00 0.00 N ATOM 844 CA SER A 53 -11.685 -12.947 0.254 1.00 0.00 C ATOM 845 C SER A 53 -10.885 -11.846 -0.446 1.00 0.00 C ATOM 846 O SER A 53 -11.221 -11.422 -1.535 1.00 0.00 O ATOM 847 CB SER A 53 -11.146 -14.325 -0.127 1.00 0.00 C ATOM 848 OG SER A 53 -11.955 -15.329 0.471 1.00 0.00 O ATOM 0 H SER A 53 -13.333 -13.660 -0.901 1.00 0.00 H new ATOM 0 HA SER A 53 -11.609 -12.763 1.326 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.145 -14.441 -1.211 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.113 -14.429 0.205 1.00 0.00 H new ATOM 0 HG SER A 53 -11.612 -16.214 0.227 1.00 0.00 H new ATOM 854 N ALA A 54 -9.827 -11.379 0.175 1.00 0.00 N ATOM 855 CA ALA A 54 -8.989 -10.296 -0.440 1.00 0.00 C ATOM 856 C ALA A 54 -8.619 -10.638 -1.889 1.00 0.00 C ATOM 857 O ALA A 54 -8.422 -9.763 -2.712 1.00 0.00 O ATOM 858 CB ALA A 54 -7.729 -10.227 0.424 1.00 0.00 C ATOM 0 H ALA A 54 -9.505 -11.703 1.087 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.524 -9.347 -0.472 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.064 -9.455 0.037 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.005 -9.986 1.451 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.219 -11.190 0.401 1.00 0.00 H new ATOM 864 N LYS A 55 -8.532 -11.906 -2.204 1.00 0.00 N ATOM 865 CA LYS A 55 -8.184 -12.312 -3.599 1.00 0.00 C ATOM 866 C LYS A 55 -9.366 -12.043 -4.536 1.00 0.00 C ATOM 867 O LYS A 55 -9.194 -11.850 -5.724 1.00 0.00 O ATOM 868 CB LYS A 55 -7.893 -13.813 -3.521 1.00 0.00 C ATOM 869 CG LYS A 55 -6.439 -14.030 -3.096 1.00 0.00 C ATOM 870 CD LYS A 55 -6.193 -15.522 -2.864 1.00 0.00 C ATOM 871 CE LYS A 55 -4.720 -15.749 -2.516 1.00 0.00 C ATOM 872 NZ LYS A 55 -4.609 -17.210 -2.249 1.00 0.00 N ATOM 0 H LYS A 55 -8.687 -12.677 -1.555 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.332 -11.755 -3.989 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.566 -14.288 -2.807 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.074 -14.280 -4.489 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.764 -13.655 -3.865 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.228 -13.470 -2.185 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.829 -15.885 -2.056 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.458 -16.088 -3.757 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.069 -15.447 -3.337 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.426 -15.165 -1.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.626 -17.444 -2.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.234 -17.467 -1.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.889 -17.740 -3.099 1.00 0.00 H new ATOM 886 N GLU A 56 -10.565 -12.029 -4.007 1.00 0.00 N ATOM 887 CA GLU A 56 -11.765 -11.774 -4.859 1.00 0.00 C ATOM 888 C GLU A 56 -12.087 -10.277 -4.891 1.00 0.00 C ATOM 889 O GLU A 56 -12.560 -9.759 -5.886 1.00 0.00 O ATOM 890 CB GLU A 56 -12.898 -12.552 -4.189 1.00 0.00 C ATOM 891 CG GLU A 56 -12.719 -14.047 -4.456 1.00 0.00 C ATOM 892 CD GLU A 56 -13.926 -14.812 -3.908 1.00 0.00 C ATOM 893 OE1 GLU A 56 -14.048 -14.897 -2.697 1.00 0.00 O ATOM 894 OE2 GLU A 56 -14.707 -15.300 -4.708 1.00 0.00 O ATOM 0 H GLU A 56 -10.763 -12.184 -3.019 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.610 -12.086 -5.892 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.899 -12.361 -3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.861 -12.216 -4.574 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.617 -14.226 -5.526 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.804 -14.404 -3.984 1.00 0.00 H new ATOM 901 N LYS A 57 -11.836 -9.579 -3.810 1.00 0.00 N ATOM 902 CA LYS A 57 -12.128 -8.114 -3.775 1.00 0.00 C ATOM 903 C LYS A 57 -10.867 -7.307 -4.106 1.00 0.00 C ATOM 904 O LYS A 57 -10.717 -6.176 -3.683 1.00 0.00 O ATOM 905 CB LYS A 57 -12.604 -7.831 -2.344 1.00 0.00 C ATOM 906 CG LYS A 57 -11.505 -8.184 -1.335 1.00 0.00 C ATOM 907 CD LYS A 57 -11.768 -7.449 -0.018 1.00 0.00 C ATOM 908 CE LYS A 57 -12.766 -8.249 0.824 1.00 0.00 C ATOM 909 NZ LYS A 57 -13.093 -7.364 1.976 1.00 0.00 N ATOM 0 H LYS A 57 -11.441 -9.962 -2.951 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.879 -7.828 -4.511 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.873 -6.779 -2.245 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.502 -8.411 -2.131 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.484 -9.261 -1.165 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.529 -7.905 -1.731 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.835 -7.319 0.531 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.162 -6.452 -0.218 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.659 -8.496 0.250 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.333 -9.191 1.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.773 -7.843 2.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.225 -7.152 2.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.510 -6.478 1.626 1.00 0.00 H new ATOM 923 N SER A 58 -9.961 -7.881 -4.856 1.00 0.00 N ATOM 924 CA SER A 58 -8.707 -7.154 -5.217 1.00 0.00 C ATOM 925 C SER A 58 -8.956 -6.230 -6.412 1.00 0.00 C ATOM 926 O SER A 58 -8.323 -5.201 -6.553 1.00 0.00 O ATOM 927 CB SER A 58 -7.705 -8.249 -5.584 1.00 0.00 C ATOM 928 OG SER A 58 -8.285 -9.107 -6.557 1.00 0.00 O ATOM 0 H SER A 58 -10.036 -8.825 -5.235 1.00 0.00 H new ATOM 0 HA SER A 58 -8.344 -6.527 -4.402 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.789 -7.805 -5.974 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.430 -8.819 -4.697 1.00 0.00 H new ATOM 0 HG SER A 58 -8.528 -9.959 -6.139 1.00 0.00 H new ATOM 934 N LYS A 59 -9.876 -6.593 -7.271 1.00 0.00 N ATOM 935 CA LYS A 59 -10.175 -5.739 -8.460 1.00 0.00 C ATOM 936 C LYS A 59 -10.890 -4.458 -8.022 1.00 0.00 C ATOM 937 O LYS A 59 -10.763 -3.422 -8.648 1.00 0.00 O ATOM 938 CB LYS A 59 -11.091 -6.587 -9.345 1.00 0.00 C ATOM 939 CG LYS A 59 -11.228 -5.927 -10.720 1.00 0.00 C ATOM 940 CD LYS A 59 -12.256 -6.696 -11.554 1.00 0.00 C ATOM 941 CE LYS A 59 -12.744 -5.811 -12.704 1.00 0.00 C ATOM 942 NZ LYS A 59 -13.798 -4.947 -12.102 1.00 0.00 N ATOM 0 H LYS A 59 -10.433 -7.445 -7.199 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.270 -5.437 -8.987 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.683 -7.592 -9.451 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.071 -6.689 -8.880 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.539 -4.888 -10.608 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.264 -5.918 -11.229 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.811 -7.610 -11.948 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.097 -6.995 -10.929 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.930 -5.213 -13.115 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.144 -6.411 -13.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.718 -5.169 -12.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.846 -5.121 -11.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.567 -3.947 -12.273 1.00 0.00 H new ATOM 956 N PHE A 60 -11.635 -4.524 -6.949 1.00 0.00 N ATOM 957 CA PHE A 60 -12.361 -3.315 -6.457 1.00 0.00 C ATOM 958 C PHE A 60 -11.455 -2.493 -5.537 1.00 0.00 C ATOM 959 O PHE A 60 -11.582 -1.287 -5.444 1.00 0.00 O ATOM 960 CB PHE A 60 -13.560 -3.861 -5.681 1.00 0.00 C ATOM 961 CG PHE A 60 -14.549 -4.472 -6.645 1.00 0.00 C ATOM 962 CD1 PHE A 60 -15.515 -3.668 -7.260 1.00 0.00 C ATOM 963 CD2 PHE A 60 -14.498 -5.843 -6.924 1.00 0.00 C ATOM 964 CE1 PHE A 60 -16.432 -4.234 -8.154 1.00 0.00 C ATOM 965 CE2 PHE A 60 -15.414 -6.410 -7.818 1.00 0.00 C ATOM 966 CZ PHE A 60 -16.382 -5.606 -8.432 1.00 0.00 C ATOM 0 H PHE A 60 -11.772 -5.366 -6.390 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.668 -2.658 -7.271 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -13.230 -4.609 -4.960 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -14.035 -3.060 -5.115 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -15.553 -2.610 -7.045 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -13.752 -6.463 -6.450 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -17.177 -3.613 -8.629 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.374 -7.467 -8.034 1.00 0.00 H new ATOM 0 HZ PHE A 60 -17.090 -6.044 -9.120 1.00 0.00 H new ATOM 976 N GLU A 61 -10.540 -3.141 -4.861 1.00 0.00 N ATOM 977 CA GLU A 61 -9.617 -2.405 -3.944 1.00 0.00 C ATOM 978 C GLU A 61 -8.531 -1.690 -4.752 1.00 0.00 C ATOM 979 O GLU A 61 -8.026 -0.658 -4.353 1.00 0.00 O ATOM 980 CB GLU A 61 -9.000 -3.481 -3.050 1.00 0.00 C ATOM 981 CG GLU A 61 -8.378 -2.825 -1.815 1.00 0.00 C ATOM 982 CD GLU A 61 -9.477 -2.489 -0.807 1.00 0.00 C ATOM 983 OE1 GLU A 61 -9.980 -3.407 -0.179 1.00 0.00 O ATOM 984 OE2 GLU A 61 -9.798 -1.319 -0.679 1.00 0.00 O ATOM 0 H GLU A 61 -10.392 -4.149 -4.905 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.135 -1.643 -3.362 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.763 -4.199 -2.748 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.241 -4.035 -3.602 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.648 -3.496 -1.363 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.844 -1.919 -2.102 1.00 0.00 H new ATOM 991 N ASP A 62 -8.173 -2.235 -5.888 1.00 0.00 N ATOM 992 CA ASP A 62 -7.119 -1.594 -6.732 1.00 0.00 C ATOM 993 C ASP A 62 -7.697 -0.375 -7.457 1.00 0.00 C ATOM 994 O ASP A 62 -6.993 0.573 -7.752 1.00 0.00 O ATOM 995 CB ASP A 62 -6.702 -2.668 -7.738 1.00 0.00 C ATOM 996 CG ASP A 62 -5.339 -2.309 -8.333 1.00 0.00 C ATOM 997 OD1 ASP A 62 -4.370 -2.322 -7.593 1.00 0.00 O ATOM 998 OD2 ASP A 62 -5.287 -2.028 -9.520 1.00 0.00 O ATOM 0 H ASP A 62 -8.566 -3.097 -6.267 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.273 -1.244 -6.140 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.652 -3.640 -7.248 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.447 -2.748 -8.530 1.00 0.00 H new ATOM 1003 N MET A 63 -8.974 -0.395 -7.742 1.00 0.00 N ATOM 1004 CA MET A 63 -9.609 0.759 -8.447 1.00 0.00 C ATOM 1005 C MET A 63 -9.928 1.875 -7.449 1.00 0.00 C ATOM 1006 O MET A 63 -9.943 3.042 -7.792 1.00 0.00 O ATOM 1007 CB MET A 63 -10.895 0.198 -9.054 1.00 0.00 C ATOM 1008 CG MET A 63 -10.548 -0.698 -10.244 1.00 0.00 C ATOM 1009 SD MET A 63 -10.112 0.331 -11.668 1.00 0.00 S ATOM 1010 CE MET A 63 -10.903 -0.689 -12.936 1.00 0.00 C ATOM 0 H MET A 63 -9.606 -1.163 -7.516 1.00 0.00 H new ATOM 0 HA MET A 63 -8.956 1.188 -9.207 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.445 -0.371 -8.305 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.544 1.013 -9.375 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.716 -1.355 -9.988 1.00 0.00 H new ATOM 0 HG3 MET A 63 -11.395 -1.338 -10.490 1.00 0.00 H new ATOM 0 HE1 MET A 63 -10.756 -0.232 -13.915 1.00 0.00 H new ATOM 0 HE2 MET A 63 -10.460 -1.685 -12.930 1.00 0.00 H new ATOM 0 HE3 MET A 63 -11.970 -0.765 -12.728 1.00 0.00 H new ATOM 1020 N ALA A 64 -10.183 1.521 -6.213 1.00 0.00 N ATOM 1021 CA ALA A 64 -10.502 2.554 -5.183 1.00 0.00 C ATOM 1022 C ALA A 64 -9.214 3.214 -4.682 1.00 0.00 C ATOM 1023 O ALA A 64 -9.208 4.368 -4.297 1.00 0.00 O ATOM 1024 CB ALA A 64 -11.190 1.790 -4.050 1.00 0.00 C ATOM 0 H ALA A 64 -10.184 0.559 -5.874 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.135 3.349 -5.578 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.456 2.484 -3.252 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.092 1.311 -4.430 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.513 1.031 -3.660 1.00 0.00 H new ATOM 1030 N LYS A 65 -8.127 2.486 -4.686 1.00 0.00 N ATOM 1031 CA LYS A 65 -6.830 3.063 -4.213 1.00 0.00 C ATOM 1032 C LYS A 65 -6.307 4.081 -5.229 1.00 0.00 C ATOM 1033 O LYS A 65 -5.628 5.027 -4.879 1.00 0.00 O ATOM 1034 CB LYS A 65 -5.875 1.873 -4.103 1.00 0.00 C ATOM 1035 CG LYS A 65 -4.712 2.235 -3.177 1.00 0.00 C ATOM 1036 CD LYS A 65 -3.619 2.942 -3.982 1.00 0.00 C ATOM 1037 CE LYS A 65 -2.262 2.711 -3.312 1.00 0.00 C ATOM 1038 NZ LYS A 65 -1.770 1.423 -3.875 1.00 0.00 N ATOM 0 H LYS A 65 -8.080 1.516 -4.997 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.934 3.585 -3.262 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.405 1.003 -3.716 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.498 1.604 -5.090 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.062 2.882 -2.372 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.311 1.335 -2.711 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.602 2.562 -5.004 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.830 4.010 -4.042 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.571 3.526 -3.528 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.361 2.656 -2.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.842 1.196 -3.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.445 0.665 -3.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.679 1.508 -4.908 1.00 0.00 H new ATOM 1052 N SER A 66 -6.621 3.891 -6.486 1.00 0.00 N ATOM 1053 CA SER A 66 -6.146 4.845 -7.535 1.00 0.00 C ATOM 1054 C SER A 66 -6.905 6.170 -7.420 1.00 0.00 C ATOM 1055 O SER A 66 -6.379 7.223 -7.726 1.00 0.00 O ATOM 1056 CB SER A 66 -6.455 4.164 -8.869 1.00 0.00 C ATOM 1057 OG SER A 66 -5.901 4.935 -9.928 1.00 0.00 O ATOM 0 H SER A 66 -7.186 3.116 -6.832 1.00 0.00 H new ATOM 0 HA SER A 66 -5.085 5.073 -7.435 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.040 3.156 -8.881 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.533 4.066 -9.000 1.00 0.00 H new ATOM 0 HG SER A 66 -6.095 4.501 -10.785 1.00 0.00 H new ATOM 1063 N ASP A 67 -8.136 6.121 -6.980 1.00 0.00 N ATOM 1064 CA ASP A 67 -8.939 7.371 -6.839 1.00 0.00 C ATOM 1065 C ASP A 67 -8.694 8.002 -5.465 1.00 0.00 C ATOM 1066 O ASP A 67 -8.775 9.205 -5.302 1.00 0.00 O ATOM 1067 CB ASP A 67 -10.395 6.925 -6.973 1.00 0.00 C ATOM 1068 CG ASP A 67 -10.716 6.663 -8.446 1.00 0.00 C ATOM 1069 OD1 ASP A 67 -10.734 7.617 -9.206 1.00 0.00 O ATOM 1070 OD2 ASP A 67 -10.938 5.513 -8.787 1.00 0.00 O ATOM 0 H ASP A 67 -8.621 5.265 -6.711 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.673 8.120 -7.585 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.565 6.022 -6.387 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -11.059 7.693 -6.576 1.00 0.00 H new ATOM 1075 N LYS A 68 -8.395 7.195 -4.479 1.00 0.00 N ATOM 1076 CA LYS A 68 -8.140 7.738 -3.109 1.00 0.00 C ATOM 1077 C LYS A 68 -6.823 8.517 -3.088 1.00 0.00 C ATOM 1078 O LYS A 68 -6.660 9.458 -2.335 1.00 0.00 O ATOM 1079 CB LYS A 68 -8.052 6.511 -2.199 1.00 0.00 C ATOM 1080 CG LYS A 68 -8.382 6.916 -0.762 1.00 0.00 C ATOM 1081 CD LYS A 68 -7.132 7.491 -0.092 1.00 0.00 C ATOM 1082 CE LYS A 68 -7.228 7.300 1.422 1.00 0.00 C ATOM 1083 NZ LYS A 68 -5.825 7.392 1.912 1.00 0.00 N ATOM 0 H LYS A 68 -8.316 6.182 -4.563 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.923 8.425 -2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.746 5.742 -2.540 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.051 6.081 -2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.183 7.655 -0.756 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.742 6.052 -0.203 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.241 6.995 -0.476 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.034 8.550 -0.330 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.856 8.066 1.877 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.670 6.335 1.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.809 7.270 2.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.252 6.647 1.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.432 8.323 1.667 1.00 0.00 H new ATOM 1097 N ALA A 69 -5.883 8.128 -3.913 1.00 0.00 N ATOM 1098 CA ALA A 69 -4.571 8.840 -3.952 1.00 0.00 C ATOM 1099 C ALA A 69 -4.628 10.008 -4.941 1.00 0.00 C ATOM 1100 O ALA A 69 -3.929 10.992 -4.793 1.00 0.00 O ATOM 1101 CB ALA A 69 -3.565 7.788 -4.422 1.00 0.00 C ATOM 0 H ALA A 69 -5.969 7.346 -4.562 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.301 9.260 -2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.572 8.234 -4.477 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.551 6.957 -3.717 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.854 7.423 -5.407 1.00 0.00 H new ATOM 1107 N ARG A 70 -5.459 9.902 -5.948 1.00 0.00 N ATOM 1108 CA ARG A 70 -5.568 11.005 -6.954 1.00 0.00 C ATOM 1109 C ARG A 70 -6.024 12.299 -6.275 1.00 0.00 C ATOM 1110 O ARG A 70 -5.695 13.387 -6.710 1.00 0.00 O ATOM 1111 CB ARG A 70 -6.620 10.532 -7.961 1.00 0.00 C ATOM 1112 CG ARG A 70 -6.411 11.252 -9.294 1.00 0.00 C ATOM 1113 CD ARG A 70 -7.023 10.421 -10.424 1.00 0.00 C ATOM 1114 NE ARG A 70 -6.342 10.893 -11.661 1.00 0.00 N ATOM 1115 CZ ARG A 70 -6.964 10.849 -12.807 1.00 0.00 C ATOM 1116 NH1 ARG A 70 -7.132 9.707 -13.415 1.00 0.00 N ATOM 1117 NH2 ARG A 70 -7.418 11.948 -13.346 1.00 0.00 N ATOM 0 H ARG A 70 -6.066 9.100 -6.117 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.612 11.215 -7.434 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.545 9.454 -8.102 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.621 10.734 -7.579 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.873 12.239 -9.263 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.347 11.404 -9.475 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.858 9.355 -10.264 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.101 10.571 -10.485 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.388 11.251 -11.612 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.777 8.848 -12.994 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.618 9.673 -14.311 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.286 12.841 -12.871 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.904 11.914 -14.242 1.00 0.00 H new ATOM 1131 N TYR A 71 -6.778 12.187 -5.210 1.00 0.00 N ATOM 1132 CA TYR A 71 -7.259 13.409 -4.494 1.00 0.00 C ATOM 1133 C TYR A 71 -6.073 14.163 -3.885 1.00 0.00 C ATOM 1134 O TYR A 71 -6.109 15.370 -3.733 1.00 0.00 O ATOM 1135 CB TYR A 71 -8.189 12.894 -3.393 1.00 0.00 C ATOM 1136 CG TYR A 71 -8.992 14.045 -2.835 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -8.468 14.828 -1.800 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -10.261 14.328 -3.354 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -9.214 15.894 -1.283 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -11.007 15.394 -2.838 1.00 0.00 C ATOM 1141 CZ TYR A 71 -10.483 16.178 -1.802 1.00 0.00 C ATOM 1142 OH TYR A 71 -11.218 17.229 -1.292 1.00 0.00 O ATOM 0 H TYR A 71 -7.082 11.301 -4.805 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.770 14.102 -5.163 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -8.857 12.131 -3.793 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.607 12.424 -2.600 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.489 14.610 -1.400 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.665 13.724 -4.153 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -8.810 16.498 -0.483 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.986 15.612 -3.238 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.075 17.289 -1.764 1.00 0.00 H new