USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 544 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 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 61 THR OG1 : rot 170:sc= -1.59 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 54:sc= 0.03 USER MOD Single : A 43 MET CE :methyl 162:sc= -0.504 (180deg=-1.06) USER MOD Single : A 45 MET CE :methyl 170:sc= -1.97! (180deg=-2.48!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -118:sc= 0 (180deg=-0.0659) USER MOD Single : A 52 HIS : no HE2:sc= -5.17! C(o=-5.2!,f=-19!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -123:sc= -2.43 (180deg=-3.56!) USER MOD Single : A 56 SER OG : rot -115:sc= -0.633 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0852) USER MOD Single : A 64 LYS NZ :NH3+ 176:sc=0.000724 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.51) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.275 X(o=-0.27,f=-0.062) USER MOD Single : A 77 THR OG1 : rot -85:sc= 0.594 USER MOD ----------------------------------------------------------------- ATOM 174 N GLY A 16 1.835 9.079 2.198 1.00 0.00 N ATOM 175 CA GLY A 16 1.063 8.017 2.819 1.00 0.00 C ATOM 176 C GLY A 16 1.970 6.868 3.265 1.00 0.00 C ATOM 177 O GLY A 16 3.191 7.011 3.291 1.00 0.00 O ATOM 0 HA2 GLY A 16 0.521 8.412 3.678 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.318 7.645 2.116 1.00 0.00 H new ATOM 181 N PRO A 17 1.320 5.726 3.616 1.00 0.00 N ATOM 182 CA PRO A 17 2.055 4.554 4.059 1.00 0.00 C ATOM 183 C PRO A 17 2.729 3.850 2.880 1.00 0.00 C ATOM 184 O PRO A 17 2.252 3.931 1.749 1.00 0.00 O ATOM 185 CB PRO A 17 1.022 3.684 4.759 1.00 0.00 C ATOM 186 CG PRO A 17 -0.333 4.177 4.278 1.00 0.00 C ATOM 187 CD PRO A 17 -0.125 5.521 3.598 1.00 0.00 C ATOM 0 HA PRO A 17 2.873 4.802 4.735 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.165 2.632 4.512 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.107 3.771 5.842 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.775 3.462 3.584 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.023 4.276 5.116 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.511 5.513 2.579 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.645 6.318 4.129 1.00 0.00 H new ATOM 195 N LEU A 18 3.828 3.175 3.184 1.00 0.00 N ATOM 196 CA LEU A 18 4.572 2.458 2.163 1.00 0.00 C ATOM 197 C LEU A 18 4.418 0.952 2.389 1.00 0.00 C ATOM 198 O LEU A 18 4.479 0.482 3.524 1.00 0.00 O ATOM 199 CB LEU A 18 6.028 2.929 2.131 1.00 0.00 C ATOM 200 CG LEU A 18 6.251 4.391 1.740 1.00 0.00 C ATOM 201 CD1 LEU A 18 7.732 4.762 1.827 1.00 0.00 C ATOM 202 CD2 LEU A 18 5.667 4.684 0.357 1.00 0.00 C ATOM 0 H LEU A 18 4.221 3.110 4.123 1.00 0.00 H new ATOM 0 HA LEU A 18 4.169 2.676 1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.463 2.767 3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.578 2.299 1.432 1.00 0.00 H new ATOM 0 HG LEU A 18 5.719 5.020 2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.863 5.806 1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.084 4.616 2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.306 4.128 1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.839 5.730 0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.150 4.047 -0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.595 4.484 0.365 1.00 0.00 H new ATOM 214 N ALA A 19 4.221 0.238 1.290 1.00 0.00 N ATOM 215 CA ALA A 19 4.058 -1.204 1.354 1.00 0.00 C ATOM 216 C ALA A 19 5.255 -1.816 2.085 1.00 0.00 C ATOM 217 O ALA A 19 6.351 -1.260 2.064 1.00 0.00 O ATOM 218 CB ALA A 19 3.891 -1.762 -0.061 1.00 0.00 C ATOM 0 H ALA A 19 4.171 0.632 0.350 1.00 0.00 H new ATOM 0 HA ALA A 19 3.161 -1.465 1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.769 -2.844 -0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.011 -1.317 -0.526 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.774 -1.522 -0.653 1.00 0.00 H new ATOM 224 N PRO A 20 4.997 -2.985 2.732 1.00 0.00 N ATOM 225 CA PRO A 20 6.039 -3.679 3.468 1.00 0.00 C ATOM 226 C PRO A 20 7.009 -4.380 2.515 1.00 0.00 C ATOM 227 O PRO A 20 8.224 -4.233 2.640 1.00 0.00 O ATOM 228 CB PRO A 20 5.301 -4.645 4.380 1.00 0.00 C ATOM 229 CG PRO A 20 3.906 -4.788 3.793 1.00 0.00 C ATOM 230 CD PRO A 20 3.710 -3.673 2.779 1.00 0.00 C ATOM 0 HA PRO A 20 6.664 -3.002 4.050 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.808 -5.609 4.421 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.258 -4.264 5.400 1.00 0.00 H new ATOM 0 HG2 PRO A 20 3.790 -5.762 3.317 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.153 -4.726 4.579 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.437 -4.070 1.801 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.910 -2.997 3.083 1.00 0.00 H new ATOM 238 N MET A 21 6.436 -5.128 1.583 1.00 0.00 N ATOM 239 CA MET A 21 7.235 -5.853 0.609 1.00 0.00 C ATOM 240 C MET A 21 6.404 -6.208 -0.626 1.00 0.00 C ATOM 241 O MET A 21 5.181 -6.074 -0.616 1.00 0.00 O ATOM 242 CB MET A 21 7.777 -7.134 1.245 1.00 0.00 C ATOM 243 CG MET A 21 8.790 -7.817 0.324 1.00 0.00 C ATOM 244 SD MET A 21 9.881 -8.857 1.281 1.00 0.00 S ATOM 245 CE MET A 21 11.105 -9.246 0.042 1.00 0.00 C ATOM 0 H MET A 21 5.428 -5.248 1.482 1.00 0.00 H new ATOM 0 HA MET A 21 8.061 -5.214 0.297 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.248 -6.899 2.199 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.954 -7.816 1.455 1.00 0.00 H new ATOM 0 HG2 MET A 21 8.269 -8.414 -0.424 1.00 0.00 H new ATOM 0 HG3 MET A 21 9.369 -7.066 -0.214 1.00 0.00 H new ATOM 0 HE1 MET A 21 11.868 -9.894 0.475 1.00 0.00 H new ATOM 0 HE2 MET A 21 10.627 -9.757 -0.794 1.00 0.00 H new ATOM 0 HE3 MET A 21 11.569 -8.326 -0.313 1.00 0.00 H new ATOM 255 N THR A 22 7.102 -6.653 -1.661 1.00 0.00 N ATOM 256 CA THR A 22 6.444 -7.029 -2.901 1.00 0.00 C ATOM 257 C THR A 22 5.406 -8.123 -2.644 1.00 0.00 C ATOM 258 O THR A 22 5.761 -9.261 -2.340 1.00 0.00 O ATOM 259 CB THR A 22 7.524 -7.438 -3.904 1.00 0.00 C ATOM 260 OG1 THR A 22 8.373 -6.297 -3.985 1.00 0.00 O ATOM 261 CG2 THR A 22 6.976 -7.597 -5.323 1.00 0.00 C ATOM 0 H THR A 22 8.116 -6.762 -1.666 1.00 0.00 H new ATOM 0 HA THR A 22 5.888 -6.192 -3.324 1.00 0.00 H new ATOM 0 HB THR A 22 7.979 -8.375 -3.584 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.103 -6.476 -4.614 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.784 -7.888 -5.995 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.203 -8.366 -5.331 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.550 -6.651 -5.657 1.00 0.00 H new ATOM 269 N GLY A 23 4.145 -7.741 -2.776 1.00 0.00 N ATOM 270 CA GLY A 23 3.053 -8.675 -2.562 1.00 0.00 C ATOM 271 C GLY A 23 1.817 -8.268 -3.366 1.00 0.00 C ATOM 272 O GLY A 23 1.913 -7.471 -4.298 1.00 0.00 O ATOM 0 H GLY A 23 3.855 -6.796 -3.029 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.366 -9.678 -2.852 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.805 -8.713 -1.501 1.00 0.00 H new ATOM 276 N THR A 24 0.684 -8.834 -2.977 1.00 0.00 N ATOM 277 CA THR A 24 -0.570 -8.539 -3.650 1.00 0.00 C ATOM 278 C THR A 24 -1.616 -8.060 -2.642 1.00 0.00 C ATOM 279 O THR A 24 -1.617 -8.490 -1.490 1.00 0.00 O ATOM 280 CB THR A 24 -0.997 -9.790 -4.421 1.00 0.00 C ATOM 281 OG1 THR A 24 -0.016 -9.917 -5.446 1.00 0.00 O ATOM 282 CG2 THR A 24 -2.309 -9.588 -5.183 1.00 0.00 C ATOM 0 H THR A 24 0.608 -9.495 -2.204 1.00 0.00 H new ATOM 0 HA THR A 24 -0.455 -7.723 -4.363 1.00 0.00 H new ATOM 0 HB THR A 24 -1.104 -10.625 -3.729 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.215 -10.705 -5.994 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.567 -10.505 -5.713 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.104 -9.340 -4.480 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.192 -8.775 -5.900 1.00 0.00 H new ATOM 290 N ILE A 25 -2.482 -7.174 -3.113 1.00 0.00 N ATOM 291 CA ILE A 25 -3.532 -6.631 -2.267 1.00 0.00 C ATOM 292 C ILE A 25 -4.649 -7.667 -2.120 1.00 0.00 C ATOM 293 O ILE A 25 -5.224 -8.110 -3.113 1.00 0.00 O ATOM 294 CB ILE A 25 -4.011 -5.282 -2.807 1.00 0.00 C ATOM 295 CG1 ILE A 25 -2.831 -4.432 -3.282 1.00 0.00 C ATOM 296 CG2 ILE A 25 -4.866 -4.550 -1.771 1.00 0.00 C ATOM 297 CD1 ILE A 25 -1.776 -4.296 -2.183 1.00 0.00 C ATOM 0 H ILE A 25 -2.478 -6.819 -4.069 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.150 -6.430 -1.266 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.645 -5.466 -3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.384 -4.886 -4.166 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.185 -3.444 -3.576 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.194 -3.594 -2.180 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.737 -5.157 -1.524 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.277 -4.377 -0.870 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.948 -3.687 -2.547 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.220 -3.820 -1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.407 -5.284 -1.909 1.00 0.00 H new ATOM 309 N GLU A 26 -4.922 -8.022 -0.873 1.00 0.00 N ATOM 310 CA GLU A 26 -5.960 -8.996 -0.583 1.00 0.00 C ATOM 311 C GLU A 26 -7.275 -8.288 -0.250 1.00 0.00 C ATOM 312 O GLU A 26 -8.319 -8.612 -0.814 1.00 0.00 O ATOM 313 CB GLU A 26 -5.535 -9.928 0.554 1.00 0.00 C ATOM 314 CG GLU A 26 -6.553 -11.054 0.749 1.00 0.00 C ATOM 315 CD GLU A 26 -6.589 -11.978 -0.469 1.00 0.00 C ATOM 316 OE1 GLU A 26 -5.490 -12.377 -0.912 1.00 0.00 O ATOM 317 OE2 GLU A 26 -7.714 -12.265 -0.931 1.00 0.00 O ATOM 0 H GLU A 26 -4.442 -7.652 -0.052 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.115 -9.608 -1.471 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.555 -10.352 0.334 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.436 -9.359 1.478 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.298 -11.629 1.639 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.543 -10.629 0.917 1.00 0.00 H new ATOM 324 N LYS A 27 -7.181 -7.335 0.666 1.00 0.00 N ATOM 325 CA LYS A 27 -8.350 -6.579 1.081 1.00 0.00 C ATOM 326 C LYS A 27 -7.992 -5.093 1.152 1.00 0.00 C ATOM 327 O LYS A 27 -6.835 -4.739 1.373 1.00 0.00 O ATOM 328 CB LYS A 27 -8.914 -7.138 2.388 1.00 0.00 C ATOM 329 CG LYS A 27 -9.847 -8.321 2.121 1.00 0.00 C ATOM 330 CD LYS A 27 -11.269 -7.842 1.822 1.00 0.00 C ATOM 331 CE LYS A 27 -11.634 -8.088 0.357 1.00 0.00 C ATOM 332 NZ LYS A 27 -13.101 -8.198 0.200 1.00 0.00 N ATOM 0 H LYS A 27 -6.313 -7.069 1.132 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.149 -6.681 0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.096 -7.454 3.035 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.456 -6.355 2.919 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.471 -8.902 1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.857 -8.983 2.987 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.975 -8.362 2.469 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.354 -6.779 2.048 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.256 -7.272 -0.260 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.155 -9.002 0.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.332 -8.365 -0.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.453 -8.991 0.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.551 -7.315 0.516 1.00 0.00 H new ATOM 346 N VAL A 28 -9.007 -4.263 0.960 1.00 0.00 N ATOM 347 CA VAL A 28 -8.813 -2.823 1.000 1.00 0.00 C ATOM 348 C VAL A 28 -9.950 -2.182 1.799 1.00 0.00 C ATOM 349 O VAL A 28 -11.064 -2.041 1.296 1.00 0.00 O ATOM 350 CB VAL A 28 -8.697 -2.271 -0.422 1.00 0.00 C ATOM 351 CG1 VAL A 28 -8.738 -0.742 -0.422 1.00 0.00 C ATOM 352 CG2 VAL A 28 -7.430 -2.786 -1.108 1.00 0.00 C ATOM 0 H VAL A 28 -9.965 -4.560 0.776 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.880 -2.577 1.507 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.555 -2.628 -0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.654 -0.376 -1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.681 -0.403 0.008 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.909 -0.356 0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.372 -2.379 -2.117 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.555 -2.472 -0.539 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.460 -3.874 -1.157 1.00 0.00 H new ATOM 362 N PHE A 29 -9.629 -1.811 3.029 1.00 0.00 N ATOM 363 CA PHE A 29 -10.610 -1.188 3.903 1.00 0.00 C ATOM 364 C PHE A 29 -10.406 0.327 3.963 1.00 0.00 C ATOM 365 O PHE A 29 -10.333 0.905 5.047 1.00 0.00 O ATOM 366 CB PHE A 29 -10.401 -1.775 5.300 1.00 0.00 C ATOM 367 CG PHE A 29 -10.358 -3.304 5.333 1.00 0.00 C ATOM 368 CD1 PHE A 29 -11.430 -4.023 4.906 1.00 0.00 C ATOM 369 CD2 PHE A 29 -9.248 -3.943 5.789 1.00 0.00 C ATOM 370 CE1 PHE A 29 -11.391 -5.442 4.937 1.00 0.00 C ATOM 371 CE2 PHE A 29 -9.208 -5.362 5.819 1.00 0.00 C ATOM 372 CZ PHE A 29 -10.280 -6.082 5.393 1.00 0.00 C ATOM 0 H PHE A 29 -8.704 -1.929 3.442 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.616 -1.378 3.529 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.469 -1.387 5.710 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.204 -1.430 5.952 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.311 -3.515 4.543 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.397 -3.371 6.128 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.243 -6.013 4.599 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.326 -5.870 6.180 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.250 -7.161 5.417 1.00 0.00 H new ATOM 382 N VAL A 30 -10.320 0.928 2.785 1.00 0.00 N ATOM 383 CA VAL A 30 -10.127 2.365 2.690 1.00 0.00 C ATOM 384 C VAL A 30 -10.753 2.875 1.391 1.00 0.00 C ATOM 385 O VAL A 30 -11.390 2.114 0.664 1.00 0.00 O ATOM 386 CB VAL A 30 -8.639 2.701 2.809 1.00 0.00 C ATOM 387 CG1 VAL A 30 -8.085 2.267 4.168 1.00 0.00 C ATOM 388 CG2 VAL A 30 -7.841 2.071 1.665 1.00 0.00 C ATOM 0 H VAL A 30 -10.380 0.446 1.888 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.629 2.873 3.513 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.534 3.783 2.735 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.026 2.518 4.226 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.624 2.783 4.962 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.210 1.191 4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.787 2.325 1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.958 0.988 1.693 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.210 2.451 0.712 1.00 0.00 H new ATOM 398 N LYS A 31 -10.551 4.160 1.138 1.00 0.00 N ATOM 399 CA LYS A 31 -11.088 4.781 -0.060 1.00 0.00 C ATOM 400 C LYS A 31 -10.749 6.273 -0.053 1.00 0.00 C ATOM 401 O LYS A 31 -10.206 6.784 0.925 1.00 0.00 O ATOM 402 CB LYS A 31 -12.584 4.490 -0.190 1.00 0.00 C ATOM 403 CG LYS A 31 -13.319 4.806 1.115 1.00 0.00 C ATOM 404 CD LYS A 31 -14.043 6.151 1.025 1.00 0.00 C ATOM 405 CE LYS A 31 -14.841 6.430 2.300 1.00 0.00 C ATOM 406 NZ LYS A 31 -16.272 6.116 2.095 1.00 0.00 N ATOM 0 H LYS A 31 -10.022 4.788 1.743 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.626 4.354 -0.950 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.005 5.084 -1.002 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.733 3.442 -0.451 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.038 4.016 1.332 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.608 4.826 1.941 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.318 6.948 0.864 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.713 6.151 0.165 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -14.446 5.833 3.121 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -14.729 7.476 2.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.799 6.311 2.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.650 6.704 1.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -16.375 5.112 1.846 1.00 0.00 H new ATOM 420 N ALA A 32 -11.085 6.929 -1.154 1.00 0.00 N ATOM 421 CA ALA A 32 -10.823 8.352 -1.286 1.00 0.00 C ATOM 422 C ALA A 32 -11.843 9.133 -0.455 1.00 0.00 C ATOM 423 O ALA A 32 -13.008 8.747 -0.373 1.00 0.00 O ATOM 424 CB ALA A 32 -10.855 8.742 -2.765 1.00 0.00 C ATOM 0 H ALA A 32 -11.536 6.501 -1.963 1.00 0.00 H new ATOM 0 HA ALA A 32 -9.831 8.597 -0.906 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -10.658 9.810 -2.864 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.093 8.181 -3.306 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -11.837 8.514 -3.180 1.00 0.00 H new ATOM 430 N GLY A 33 -11.368 10.217 0.141 1.00 0.00 N ATOM 431 CA GLY A 33 -12.224 11.055 0.963 1.00 0.00 C ATOM 432 C GLY A 33 -12.730 10.289 2.186 1.00 0.00 C ATOM 433 O GLY A 33 -13.772 10.627 2.747 1.00 0.00 O ATOM 0 H GLY A 33 -10.401 10.534 0.071 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.673 11.938 1.285 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.071 11.405 0.373 1.00 0.00 H new ATOM 437 N ASP A 34 -11.970 9.272 2.564 1.00 0.00 N ATOM 438 CA ASP A 34 -12.328 8.456 3.711 1.00 0.00 C ATOM 439 C ASP A 34 -11.605 8.982 4.953 1.00 0.00 C ATOM 440 O ASP A 34 -10.768 9.877 4.855 1.00 0.00 O ATOM 441 CB ASP A 34 -11.910 6.999 3.503 1.00 0.00 C ATOM 442 CG ASP A 34 -12.497 6.007 4.509 1.00 0.00 C ATOM 443 OD1 ASP A 34 -13.529 6.361 5.118 1.00 0.00 O ATOM 444 OD2 ASP A 34 -11.900 4.917 4.646 1.00 0.00 O ATOM 0 H ASP A 34 -11.107 8.994 2.096 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.410 8.507 3.835 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.204 6.692 2.499 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.823 6.939 3.549 1.00 0.00 H new ATOM 449 N LYS A 35 -11.955 8.403 6.092 1.00 0.00 N ATOM 450 CA LYS A 35 -11.350 8.803 7.351 1.00 0.00 C ATOM 451 C LYS A 35 -10.768 7.570 8.046 1.00 0.00 C ATOM 452 O LYS A 35 -11.443 6.550 8.176 1.00 0.00 O ATOM 453 CB LYS A 35 -12.355 9.575 8.208 1.00 0.00 C ATOM 454 CG LYS A 35 -12.831 10.839 7.490 1.00 0.00 C ATOM 455 CD LYS A 35 -11.722 11.892 7.442 1.00 0.00 C ATOM 456 CE LYS A 35 -12.306 13.297 7.275 1.00 0.00 C ATOM 457 NZ LYS A 35 -11.690 14.232 8.243 1.00 0.00 N ATOM 0 H LYS A 35 -12.650 7.660 6.169 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.523 9.491 7.175 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -13.210 8.938 8.435 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.896 9.844 9.159 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.145 10.590 6.476 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.703 11.246 8.002 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.132 11.846 8.357 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.045 11.675 6.616 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.134 13.651 6.258 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.385 13.269 7.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.097 15.181 8.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.876 13.902 9.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.663 14.272 8.082 1.00 0.00 H new ATOM 471 N VAL A 36 -9.522 7.705 8.475 1.00 0.00 N ATOM 472 CA VAL A 36 -8.842 6.615 9.154 1.00 0.00 C ATOM 473 C VAL A 36 -8.242 7.130 10.463 1.00 0.00 C ATOM 474 O VAL A 36 -8.113 8.338 10.658 1.00 0.00 O ATOM 475 CB VAL A 36 -7.800 5.989 8.225 1.00 0.00 C ATOM 476 CG1 VAL A 36 -8.472 5.266 7.055 1.00 0.00 C ATOM 477 CG2 VAL A 36 -6.810 7.042 7.723 1.00 0.00 C ATOM 0 H VAL A 36 -8.965 8.553 8.366 1.00 0.00 H new ATOM 0 HA VAL A 36 -9.548 5.825 9.409 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.241 5.250 8.799 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.709 4.830 6.410 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -9.118 4.476 7.438 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -9.068 5.976 6.482 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.080 6.571 7.065 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.348 7.815 7.174 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.295 7.492 8.572 1.00 0.00 H new ATOM 487 N LYS A 37 -7.891 6.189 11.327 1.00 0.00 N ATOM 488 CA LYS A 37 -7.308 6.533 12.613 1.00 0.00 C ATOM 489 C LYS A 37 -5.956 5.832 12.758 1.00 0.00 C ATOM 490 O LYS A 37 -5.836 4.641 12.475 1.00 0.00 O ATOM 491 CB LYS A 37 -8.287 6.220 13.746 1.00 0.00 C ATOM 492 CG LYS A 37 -9.505 7.146 13.690 1.00 0.00 C ATOM 493 CD LYS A 37 -9.864 7.665 15.084 1.00 0.00 C ATOM 494 CE LYS A 37 -11.333 7.389 15.409 1.00 0.00 C ATOM 495 NZ LYS A 37 -11.705 8.018 16.697 1.00 0.00 N ATOM 0 H LYS A 37 -7.999 5.188 11.162 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.120 7.605 12.672 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.611 5.182 13.675 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.785 6.332 14.707 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.297 7.986 13.028 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.355 6.610 13.268 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.227 7.188 15.829 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.671 8.736 15.138 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.967 7.776 14.612 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.505 6.314 15.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.705 7.821 16.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.112 7.629 17.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.560 9.046 16.636 1.00 0.00 H new ATOM 509 N ALA A 38 -4.971 6.602 13.200 1.00 0.00 N ATOM 510 CA ALA A 38 -3.632 6.070 13.386 1.00 0.00 C ATOM 511 C ALA A 38 -3.725 4.664 13.984 1.00 0.00 C ATOM 512 O ALA A 38 -4.154 4.498 15.125 1.00 0.00 O ATOM 513 CB ALA A 38 -2.821 7.025 14.264 1.00 0.00 C ATOM 0 H ALA A 38 -5.074 7.589 13.434 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.115 5.988 12.430 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.816 6.626 14.404 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.760 8.000 13.781 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.308 7.130 15.234 1.00 0.00 H new ATOM 519 N GLY A 39 -3.315 3.689 13.187 1.00 0.00 N ATOM 520 CA GLY A 39 -3.347 2.303 13.623 1.00 0.00 C ATOM 521 C GLY A 39 -4.618 1.604 13.139 1.00 0.00 C ATOM 522 O GLY A 39 -5.212 0.812 13.868 1.00 0.00 O ATOM 0 H GLY A 39 -2.959 3.831 12.242 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.471 1.778 13.241 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.296 2.259 14.711 1.00 0.00 H new ATOM 526 N ASP A 40 -4.999 1.923 11.910 1.00 0.00 N ATOM 527 CA ASP A 40 -6.189 1.336 11.319 1.00 0.00 C ATOM 528 C ASP A 40 -5.780 0.408 10.173 1.00 0.00 C ATOM 529 O ASP A 40 -4.814 0.682 9.463 1.00 0.00 O ATOM 530 CB ASP A 40 -7.111 2.415 10.748 1.00 0.00 C ATOM 531 CG ASP A 40 -8.202 2.905 11.702 1.00 0.00 C ATOM 532 OD1 ASP A 40 -7.962 2.827 12.926 1.00 0.00 O ATOM 533 OD2 ASP A 40 -9.251 3.347 11.185 1.00 0.00 O ATOM 0 H ASP A 40 -4.504 2.581 11.308 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.717 0.787 12.099 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.503 3.268 10.446 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.585 2.027 9.847 1.00 0.00 H new ATOM 538 N SER A 41 -6.536 -0.670 10.028 1.00 0.00 N ATOM 539 CA SER A 41 -6.264 -1.639 8.981 1.00 0.00 C ATOM 540 C SER A 41 -6.705 -1.083 7.625 1.00 0.00 C ATOM 541 O SER A 41 -7.808 -1.370 7.161 1.00 0.00 O ATOM 542 CB SER A 41 -6.969 -2.968 9.263 1.00 0.00 C ATOM 543 OG SER A 41 -8.281 -2.776 9.784 1.00 0.00 O ATOM 0 H SER A 41 -7.337 -0.894 10.619 1.00 0.00 H new ATOM 0 HA SER A 41 -5.190 -1.825 8.959 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.026 -3.551 8.343 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.379 -3.548 9.972 1.00 0.00 H new ATOM 0 HG SER A 41 -8.790 -2.193 9.183 1.00 0.00 H new ATOM 549 N LEU A 42 -5.822 -0.296 7.029 1.00 0.00 N ATOM 550 CA LEU A 42 -6.106 0.303 5.736 1.00 0.00 C ATOM 551 C LEU A 42 -6.425 -0.801 4.726 1.00 0.00 C ATOM 552 O LEU A 42 -7.558 -0.912 4.260 1.00 0.00 O ATOM 553 CB LEU A 42 -4.957 1.218 5.305 1.00 0.00 C ATOM 554 CG LEU A 42 -4.579 2.327 6.288 1.00 0.00 C ATOM 555 CD1 LEU A 42 -3.194 2.894 5.968 1.00 0.00 C ATOM 556 CD2 LEU A 42 -5.651 3.418 6.323 1.00 0.00 C ATOM 0 H LEU A 42 -4.909 -0.059 7.418 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.986 0.943 5.798 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.076 0.602 5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.223 1.678 4.353 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.527 1.895 7.287 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.949 3.681 6.682 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.451 2.099 6.035 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.194 3.306 4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.357 4.194 7.030 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.759 3.854 5.330 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.601 2.984 6.634 1.00 0.00 H new ATOM 568 N MET A 43 -5.406 -1.589 4.417 1.00 0.00 N ATOM 569 CA MET A 43 -5.564 -2.680 3.471 1.00 0.00 C ATOM 570 C MET A 43 -4.802 -3.923 3.935 1.00 0.00 C ATOM 571 O MET A 43 -4.108 -3.887 4.950 1.00 0.00 O ATOM 572 CB MET A 43 -5.044 -2.245 2.099 1.00 0.00 C ATOM 573 CG MET A 43 -5.773 -0.992 1.608 1.00 0.00 C ATOM 574 SD MET A 43 -4.617 0.357 1.436 1.00 0.00 S ATOM 575 CE MET A 43 -4.214 0.201 -0.296 1.00 0.00 C ATOM 0 H MET A 43 -4.468 -1.494 4.805 1.00 0.00 H new ATOM 0 HA MET A 43 -6.623 -2.929 3.406 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.974 -2.048 2.158 1.00 0.00 H new ATOM 0 HB3 MET A 43 -5.180 -3.054 1.381 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.255 -1.193 0.651 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.560 -0.720 2.311 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.767 1.130 -0.651 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.507 -0.617 -0.433 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.121 -0.005 -0.864 1.00 0.00 H new ATOM 585 N VAL A 44 -4.957 -4.993 3.169 1.00 0.00 N ATOM 586 CA VAL A 44 -4.292 -6.245 3.489 1.00 0.00 C ATOM 587 C VAL A 44 -3.534 -6.745 2.258 1.00 0.00 C ATOM 588 O VAL A 44 -4.099 -6.826 1.168 1.00 0.00 O ATOM 589 CB VAL A 44 -5.310 -7.258 4.017 1.00 0.00 C ATOM 590 CG1 VAL A 44 -4.677 -8.643 4.169 1.00 0.00 C ATOM 591 CG2 VAL A 44 -5.920 -6.786 5.338 1.00 0.00 C ATOM 0 H VAL A 44 -5.533 -5.019 2.328 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.560 -6.096 4.283 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.115 -7.336 3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.422 -9.344 4.546 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.314 -8.985 3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.844 -8.587 4.870 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.640 -7.524 5.691 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.131 -6.665 6.080 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.424 -5.832 5.186 1.00 0.00 H new ATOM 601 N MET A 45 -2.267 -7.066 2.472 1.00 0.00 N ATOM 602 CA MET A 45 -1.426 -7.555 1.393 1.00 0.00 C ATOM 603 C MET A 45 -1.041 -9.019 1.618 1.00 0.00 C ATOM 604 O MET A 45 -1.264 -9.564 2.698 1.00 0.00 O ATOM 605 CB MET A 45 -0.159 -6.702 1.306 1.00 0.00 C ATOM 606 CG MET A 45 -0.398 -5.450 0.459 1.00 0.00 C ATOM 607 SD MET A 45 1.127 -4.544 0.264 1.00 0.00 S ATOM 608 CE MET A 45 1.937 -5.560 -0.960 1.00 0.00 C ATOM 0 H MET A 45 -1.802 -6.997 3.377 1.00 0.00 H new ATOM 0 HA MET A 45 -1.987 -7.485 0.461 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.158 -6.413 2.308 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.650 -7.290 0.873 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.791 -5.732 -0.518 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.148 -4.818 0.934 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.825 -5.047 -1.329 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.227 -6.509 -0.510 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.254 -5.745 -1.789 1.00 0.00 H new ATOM 618 N ILE A 46 -0.470 -9.614 0.581 1.00 0.00 N ATOM 619 CA ILE A 46 -0.052 -11.003 0.653 1.00 0.00 C ATOM 620 C ILE A 46 1.392 -11.123 0.160 1.00 0.00 C ATOM 621 O ILE A 46 1.642 -11.132 -1.044 1.00 0.00 O ATOM 622 CB ILE A 46 -1.036 -11.898 -0.104 1.00 0.00 C ATOM 623 CG1 ILE A 46 -2.419 -11.865 0.549 1.00 0.00 C ATOM 624 CG2 ILE A 46 -0.495 -13.324 -0.229 1.00 0.00 C ATOM 625 CD1 ILE A 46 -2.503 -12.860 1.708 1.00 0.00 C ATOM 0 H ILE A 46 -0.287 -9.159 -0.314 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.067 -11.352 1.685 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.147 -11.506 -1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.629 -10.859 0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.181 -12.101 -0.194 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.213 -13.939 -0.771 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.451 -13.308 -0.771 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.337 -13.742 0.765 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.497 -12.816 2.154 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.316 -13.868 1.337 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.756 -12.606 2.460 1.00 0.00 H new ATOM 637 N ALA A 47 2.304 -11.213 1.117 1.00 0.00 N ATOM 638 CA ALA A 47 3.716 -11.332 0.795 1.00 0.00 C ATOM 639 C ALA A 47 4.331 -12.458 1.628 1.00 0.00 C ATOM 640 O ALA A 47 3.703 -12.962 2.558 1.00 0.00 O ATOM 641 CB ALA A 47 4.409 -9.988 1.031 1.00 0.00 C ATOM 0 H ALA A 47 2.093 -11.206 2.115 1.00 0.00 H new ATOM 0 HA ALA A 47 3.849 -11.588 -0.256 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.468 -10.077 0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.955 -9.228 0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.298 -9.700 2.076 1.00 0.00 H new ATOM 647 N MET A 48 5.553 -12.821 1.264 1.00 0.00 N ATOM 648 CA MET A 48 6.259 -13.879 1.967 1.00 0.00 C ATOM 649 C MET A 48 5.349 -15.087 2.198 1.00 0.00 C ATOM 650 O MET A 48 5.575 -15.871 3.119 1.00 0.00 O ATOM 651 CB MET A 48 6.761 -13.352 3.312 1.00 0.00 C ATOM 652 CG MET A 48 8.151 -12.727 3.173 1.00 0.00 C ATOM 653 SD MET A 48 9.398 -13.887 3.707 1.00 0.00 S ATOM 654 CE MET A 48 10.423 -12.808 4.692 1.00 0.00 C ATOM 0 H MET A 48 6.071 -12.402 0.492 1.00 0.00 H new ATOM 0 HA MET A 48 7.103 -14.196 1.354 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.062 -12.611 3.700 1.00 0.00 H new ATOM 0 HB3 MET A 48 6.795 -14.166 4.036 1.00 0.00 H new ATOM 0 HG2 MET A 48 8.328 -12.441 2.136 1.00 0.00 H new ATOM 0 HG3 MET A 48 8.211 -11.816 3.769 1.00 0.00 H new ATOM 0 HE1 MET A 48 11.257 -13.375 5.105 1.00 0.00 H new ATOM 0 HE2 MET A 48 10.807 -12.001 4.068 1.00 0.00 H new ATOM 0 HE3 MET A 48 9.832 -12.387 5.506 1.00 0.00 H new ATOM 664 N LYS A 49 4.340 -15.198 1.348 1.00 0.00 N ATOM 665 CA LYS A 49 3.394 -16.297 1.448 1.00 0.00 C ATOM 666 C LYS A 49 2.683 -16.230 2.801 1.00 0.00 C ATOM 667 O LYS A 49 2.353 -17.262 3.384 1.00 0.00 O ATOM 668 CB LYS A 49 4.095 -17.632 1.187 1.00 0.00 C ATOM 669 CG LYS A 49 3.501 -18.333 -0.037 1.00 0.00 C ATOM 670 CD LYS A 49 2.434 -19.348 0.377 1.00 0.00 C ATOM 671 CE LYS A 49 1.895 -20.104 -0.839 1.00 0.00 C ATOM 672 NZ LYS A 49 0.510 -19.680 -1.142 1.00 0.00 N ATOM 0 H LYS A 49 4.156 -14.545 0.586 1.00 0.00 H new ATOM 0 HA LYS A 49 2.626 -16.211 0.679 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.161 -17.463 1.032 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.998 -18.275 2.062 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.064 -17.593 -0.708 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.292 -18.837 -0.591 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.857 -20.055 1.091 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.616 -18.835 0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.535 -19.920 -1.702 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.919 -21.177 -0.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.160 -20.203 -1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.101 -19.878 -0.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.496 -18.660 -1.346 1.00 0.00 H new ATOM 686 N MET A 50 2.469 -15.007 3.261 1.00 0.00 N ATOM 687 CA MET A 50 1.803 -14.792 4.535 1.00 0.00 C ATOM 688 C MET A 50 0.874 -13.578 4.470 1.00 0.00 C ATOM 689 O MET A 50 0.904 -12.820 3.502 1.00 0.00 O ATOM 690 CB MET A 50 2.851 -14.575 5.629 1.00 0.00 C ATOM 691 CG MET A 50 3.205 -15.894 6.318 1.00 0.00 C ATOM 692 SD MET A 50 1.775 -16.540 7.170 1.00 0.00 S ATOM 693 CE MET A 50 1.829 -15.555 8.657 1.00 0.00 C ATOM 0 H MET A 50 2.745 -14.154 2.775 1.00 0.00 H new ATOM 0 HA MET A 50 1.203 -15.673 4.763 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.749 -14.135 5.195 1.00 0.00 H new ATOM 0 HB3 MET A 50 2.472 -13.866 6.365 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.557 -16.616 5.581 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.020 -15.738 7.025 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.966 -16.206 9.520 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.660 -14.852 8.598 1.00 0.00 H new ATOM 0 HE3 MET A 50 0.894 -15.004 8.763 1.00 0.00 H new ATOM 703 N GLU A 51 0.069 -13.433 5.513 1.00 0.00 N ATOM 704 CA GLU A 51 -0.867 -12.324 5.586 1.00 0.00 C ATOM 705 C GLU A 51 -0.254 -11.163 6.372 1.00 0.00 C ATOM 706 O GLU A 51 0.394 -11.375 7.395 1.00 0.00 O ATOM 707 CB GLU A 51 -2.193 -12.767 6.208 1.00 0.00 C ATOM 708 CG GLU A 51 -3.163 -13.265 5.134 1.00 0.00 C ATOM 709 CD GLU A 51 -3.479 -14.750 5.326 1.00 0.00 C ATOM 710 OE1 GLU A 51 -3.699 -15.136 6.495 1.00 0.00 O ATOM 711 OE2 GLU A 51 -3.494 -15.464 4.301 1.00 0.00 O ATOM 0 H GLU A 51 0.046 -14.065 6.314 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.075 -11.981 4.572 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.011 -13.559 6.935 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.641 -11.934 6.750 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.085 -12.685 5.175 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.730 -13.106 4.146 1.00 0.00 H new ATOM 718 N HIS A 52 -0.482 -9.961 5.862 1.00 0.00 N ATOM 719 CA HIS A 52 0.040 -8.766 6.503 1.00 0.00 C ATOM 720 C HIS A 52 -1.057 -7.702 6.577 1.00 0.00 C ATOM 721 O HIS A 52 -1.919 -7.633 5.702 1.00 0.00 O ATOM 722 CB HIS A 52 1.299 -8.271 5.788 1.00 0.00 C ATOM 723 CG HIS A 52 2.081 -9.362 5.097 1.00 0.00 C ATOM 724 ND1 HIS A 52 2.737 -10.366 5.787 1.00 0.00 N ATOM 725 CD2 HIS A 52 2.305 -9.595 3.772 1.00 0.00 C ATOM 726 CE1 HIS A 52 3.327 -11.162 4.907 1.00 0.00 C ATOM 727 NE2 HIS A 52 3.058 -10.682 3.659 1.00 0.00 N ATOM 0 H HIS A 52 -1.021 -9.789 5.013 1.00 0.00 H new ATOM 0 HA HIS A 52 0.341 -8.999 7.524 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.015 -7.520 5.051 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.946 -7.778 6.513 1.00 0.00 H new ATOM 0 HD1 HIS A 52 2.762 -10.475 6.801 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.933 -8.997 2.954 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.917 -12.037 5.137 1.00 0.00 H new ATOM 735 N THR A 53 -0.990 -6.900 7.629 1.00 0.00 N ATOM 736 CA THR A 53 -1.967 -5.843 7.828 1.00 0.00 C ATOM 737 C THR A 53 -1.283 -4.475 7.812 1.00 0.00 C ATOM 738 O THR A 53 -0.628 -4.092 8.780 1.00 0.00 O ATOM 739 CB THR A 53 -2.717 -6.132 9.130 1.00 0.00 C ATOM 740 OG1 THR A 53 -3.482 -7.298 8.839 1.00 0.00 O ATOM 741 CG2 THR A 53 -3.768 -5.067 9.449 1.00 0.00 C ATOM 0 H THR A 53 -0.274 -6.961 8.353 1.00 0.00 H new ATOM 0 HA THR A 53 -2.694 -5.818 7.016 1.00 0.00 H new ATOM 0 HB THR A 53 -2.004 -6.197 9.952 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.998 -7.556 9.631 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.271 -5.320 10.382 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.283 -4.096 9.550 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.500 -5.025 8.642 1.00 0.00 H new ATOM 749 N ILE A 54 -1.459 -3.774 6.701 1.00 0.00 N ATOM 750 CA ILE A 54 -0.867 -2.456 6.545 1.00 0.00 C ATOM 751 C ILE A 54 -1.645 -1.449 7.395 1.00 0.00 C ATOM 752 O ILE A 54 -2.673 -0.930 6.963 1.00 0.00 O ATOM 753 CB ILE A 54 -0.784 -2.078 5.065 1.00 0.00 C ATOM 754 CG1 ILE A 54 0.394 -2.777 4.385 1.00 0.00 C ATOM 755 CG2 ILE A 54 -0.728 -0.559 4.890 1.00 0.00 C ATOM 756 CD1 ILE A 54 0.014 -4.193 3.949 1.00 0.00 C ATOM 0 H ILE A 54 -2.003 -4.094 5.900 1.00 0.00 H new ATOM 0 HA ILE A 54 0.161 -2.454 6.908 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.692 -2.426 4.572 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.713 -2.199 3.518 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.241 -2.819 5.070 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.669 -0.317 3.829 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.626 -0.110 5.315 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.151 -0.166 5.401 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.869 -4.668 3.468 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.281 -4.776 4.822 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.818 -4.146 3.246 1.00 0.00 H new ATOM 768 N LYS A 55 -1.124 -1.204 8.588 1.00 0.00 N ATOM 769 CA LYS A 55 -1.756 -0.268 9.503 1.00 0.00 C ATOM 770 C LYS A 55 -1.400 1.161 9.090 1.00 0.00 C ATOM 771 O LYS A 55 -0.326 1.403 8.541 1.00 0.00 O ATOM 772 CB LYS A 55 -1.387 -0.601 10.950 1.00 0.00 C ATOM 773 CG LYS A 55 -2.072 -1.890 11.408 1.00 0.00 C ATOM 774 CD LYS A 55 -3.171 -1.593 12.431 1.00 0.00 C ATOM 775 CE LYS A 55 -4.195 -2.728 12.479 1.00 0.00 C ATOM 776 NZ LYS A 55 -5.563 -2.200 12.278 1.00 0.00 N ATOM 0 H LYS A 55 -0.271 -1.637 8.943 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.841 -0.355 9.448 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.306 -0.709 11.038 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.679 0.222 11.602 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.500 -2.404 10.548 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.334 -2.562 11.846 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.728 -1.456 13.417 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.670 -0.659 12.173 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.966 -3.465 11.709 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.134 -3.241 13.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.160 -2.465 13.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.527 -1.164 12.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.965 -2.600 11.406 1.00 0.00 H new ATOM 790 N SER A 56 -2.321 2.071 9.371 1.00 0.00 N ATOM 791 CA SER A 56 -2.117 3.471 9.036 1.00 0.00 C ATOM 792 C SER A 56 -1.001 4.059 9.902 1.00 0.00 C ATOM 793 O SER A 56 -0.938 3.796 11.102 1.00 0.00 O ATOM 794 CB SER A 56 -3.407 4.273 9.215 1.00 0.00 C ATOM 795 OG SER A 56 -3.546 5.288 8.224 1.00 0.00 O ATOM 0 H SER A 56 -3.210 1.867 9.827 1.00 0.00 H new ATOM 0 HA SER A 56 -1.825 3.533 7.988 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.263 3.599 9.167 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.416 4.729 10.205 1.00 0.00 H new ATOM 0 HG SER A 56 -3.520 6.169 8.652 1.00 0.00 H new ATOM 801 N PRO A 57 -0.126 4.865 9.243 1.00 0.00 N ATOM 802 CA PRO A 57 0.983 5.493 9.940 1.00 0.00 C ATOM 803 C PRO A 57 0.500 6.662 10.800 1.00 0.00 C ATOM 804 O PRO A 57 1.134 7.009 11.795 1.00 0.00 O ATOM 805 CB PRO A 57 1.945 5.920 8.843 1.00 0.00 C ATOM 806 CG PRO A 57 1.132 5.936 7.558 1.00 0.00 C ATOM 807 CD PRO A 57 -0.171 5.199 7.822 1.00 0.00 C ATOM 0 HA PRO A 57 1.474 4.819 10.643 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.364 6.904 9.052 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.783 5.227 8.767 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.934 6.961 7.244 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.685 5.456 6.750 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.033 5.823 7.589 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.251 4.303 7.207 1.00 0.00 H new ATOM 815 N LYS A 58 -0.619 7.238 10.384 1.00 0.00 N ATOM 816 CA LYS A 58 -1.194 8.361 11.104 1.00 0.00 C ATOM 817 C LYS A 58 -2.631 8.584 10.627 1.00 0.00 C ATOM 818 O LYS A 58 -3.039 8.044 9.600 1.00 0.00 O ATOM 819 CB LYS A 58 -0.303 9.597 10.970 1.00 0.00 C ATOM 820 CG LYS A 58 -0.263 10.090 9.521 1.00 0.00 C ATOM 821 CD LYS A 58 -0.247 11.618 9.462 1.00 0.00 C ATOM 822 CE LYS A 58 -0.205 12.110 8.014 1.00 0.00 C ATOM 823 NZ LYS A 58 0.396 13.461 7.943 1.00 0.00 N ATOM 0 H LYS A 58 -1.142 6.948 9.558 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.241 8.145 12.171 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.676 10.390 11.618 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.707 9.360 11.305 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.622 9.694 9.023 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.130 9.711 8.980 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.133 12.014 9.959 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.619 11.997 10.004 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.373 11.416 7.404 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.214 12.132 7.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.417 13.780 6.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.172 14.124 8.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.366 13.430 8.317 1.00 0.00 H new ATOM 837 N ASP A 59 -3.359 9.381 11.397 1.00 0.00 N ATOM 838 CA ASP A 59 -4.741 9.682 11.066 1.00 0.00 C ATOM 839 C ASP A 59 -4.778 10.756 9.977 1.00 0.00 C ATOM 840 O ASP A 59 -3.949 11.664 9.967 1.00 0.00 O ATOM 841 CB ASP A 59 -5.495 10.218 12.285 1.00 0.00 C ATOM 842 CG ASP A 59 -4.690 11.163 13.179 1.00 0.00 C ATOM 843 OD1 ASP A 59 -4.645 12.365 12.839 1.00 0.00 O ATOM 844 OD2 ASP A 59 -4.137 10.661 14.182 1.00 0.00 O ATOM 0 H ASP A 59 -3.017 9.827 12.248 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.214 8.761 10.725 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.388 10.740 11.941 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.832 9.373 12.885 1.00 0.00 H new ATOM 849 N GLY A 60 -5.749 10.617 9.086 1.00 0.00 N ATOM 850 CA GLY A 60 -5.905 11.565 7.996 1.00 0.00 C ATOM 851 C GLY A 60 -7.093 11.188 7.108 1.00 0.00 C ATOM 852 O GLY A 60 -7.888 10.319 7.464 1.00 0.00 O ATOM 0 H GLY A 60 -6.435 9.862 9.097 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.051 12.567 8.399 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.994 11.591 7.399 1.00 0.00 H new ATOM 856 N THR A 61 -7.177 11.860 5.969 1.00 0.00 N ATOM 857 CA THR A 61 -8.254 11.607 5.028 1.00 0.00 C ATOM 858 C THR A 61 -7.698 11.037 3.722 1.00 0.00 C ATOM 859 O THR A 61 -7.188 11.780 2.884 1.00 0.00 O ATOM 860 CB THR A 61 -9.033 12.910 4.839 1.00 0.00 C ATOM 861 OG1 THR A 61 -9.536 13.205 6.140 1.00 0.00 O ATOM 862 CG2 THR A 61 -10.290 12.723 3.987 1.00 0.00 C ATOM 0 H THR A 61 -6.516 12.580 5.677 1.00 0.00 H new ATOM 0 HA THR A 61 -8.942 10.852 5.409 1.00 0.00 H new ATOM 0 HB THR A 61 -8.387 13.655 4.374 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.914 14.109 6.147 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.805 13.678 3.884 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.009 12.354 3.000 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.952 12.003 4.468 1.00 0.00 H new ATOM 870 N VAL A 62 -7.815 9.724 3.589 1.00 0.00 N ATOM 871 CA VAL A 62 -7.330 9.046 2.399 1.00 0.00 C ATOM 872 C VAL A 62 -7.746 9.840 1.159 1.00 0.00 C ATOM 873 O VAL A 62 -8.890 9.749 0.715 1.00 0.00 O ATOM 874 CB VAL A 62 -7.831 7.601 2.379 1.00 0.00 C ATOM 875 CG1 VAL A 62 -7.499 6.924 1.048 1.00 0.00 C ATOM 876 CG2 VAL A 62 -7.260 6.806 3.556 1.00 0.00 C ATOM 0 H VAL A 62 -8.239 9.112 4.286 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.241 8.998 2.404 1.00 0.00 H new ATOM 0 HB VAL A 62 -8.916 7.621 2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.866 5.898 1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.975 7.470 0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.419 6.921 0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.632 5.782 3.518 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.172 6.799 3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.569 7.270 4.493 1.00 0.00 H new ATOM 886 N LYS A 63 -6.796 10.601 0.636 1.00 0.00 N ATOM 887 CA LYS A 63 -7.050 11.411 -0.543 1.00 0.00 C ATOM 888 C LYS A 63 -7.491 10.503 -1.694 1.00 0.00 C ATOM 889 O LYS A 63 -8.601 10.639 -2.206 1.00 0.00 O ATOM 890 CB LYS A 63 -5.831 12.274 -0.873 1.00 0.00 C ATOM 891 CG LYS A 63 -6.138 13.240 -2.020 1.00 0.00 C ATOM 892 CD LYS A 63 -5.108 14.370 -2.074 1.00 0.00 C ATOM 893 CE LYS A 63 -5.469 15.390 -3.156 1.00 0.00 C ATOM 894 NZ LYS A 63 -5.317 14.793 -4.502 1.00 0.00 N ATOM 0 H LYS A 63 -5.849 10.674 1.007 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.865 12.110 -0.357 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.529 12.837 0.010 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.991 11.635 -1.146 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.139 12.699 -2.966 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.136 13.658 -1.891 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.056 14.866 -1.105 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.120 13.957 -2.274 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.495 15.730 -3.016 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.828 16.267 -3.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.433 15.532 -5.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.371 14.369 -4.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.040 14.058 -4.639 1.00 0.00 H new ATOM 908 N LYS A 64 -6.598 9.598 -2.067 1.00 0.00 N ATOM 909 CA LYS A 64 -6.881 8.669 -3.147 1.00 0.00 C ATOM 910 C LYS A 64 -5.973 7.445 -3.013 1.00 0.00 C ATOM 911 O LYS A 64 -4.832 7.560 -2.568 1.00 0.00 O ATOM 912 CB LYS A 64 -6.769 9.372 -4.502 1.00 0.00 C ATOM 913 CG LYS A 64 -6.629 8.356 -5.637 1.00 0.00 C ATOM 914 CD LYS A 64 -5.160 8.146 -6.007 1.00 0.00 C ATOM 915 CE LYS A 64 -4.923 8.430 -7.492 1.00 0.00 C ATOM 916 NZ LYS A 64 -4.897 7.167 -8.263 1.00 0.00 N ATOM 0 H LYS A 64 -5.678 9.489 -1.640 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.909 8.312 -3.082 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.651 9.990 -4.669 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.908 10.040 -4.499 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.071 7.406 -5.336 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.182 8.703 -6.510 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.532 8.801 -5.403 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.866 7.122 -5.777 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.710 9.080 -7.874 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.980 8.961 -7.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.803 7.381 -9.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.089 6.589 -7.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.780 6.643 -8.100 1.00 0.00 H new ATOM 930 N VAL A 65 -6.514 6.301 -3.404 1.00 0.00 N ATOM 931 CA VAL A 65 -5.767 5.057 -3.333 1.00 0.00 C ATOM 932 C VAL A 65 -5.122 4.775 -4.692 1.00 0.00 C ATOM 933 O VAL A 65 -5.705 5.072 -5.733 1.00 0.00 O ATOM 934 CB VAL A 65 -6.680 3.924 -2.859 1.00 0.00 C ATOM 935 CG1 VAL A 65 -5.875 2.658 -2.563 1.00 0.00 C ATOM 936 CG2 VAL A 65 -7.497 4.353 -1.638 1.00 0.00 C ATOM 0 H VAL A 65 -7.461 6.209 -3.771 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.963 5.137 -2.601 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.377 3.696 -3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.548 1.869 -2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.359 2.335 -3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.143 2.866 -1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.137 3.530 -1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.822 4.622 -0.825 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.114 5.214 -1.897 1.00 0.00 H new ATOM 946 N PHE A 66 -3.927 4.206 -4.637 1.00 0.00 N ATOM 947 CA PHE A 66 -3.196 3.881 -5.850 1.00 0.00 C ATOM 948 C PHE A 66 -3.325 2.394 -6.187 1.00 0.00 C ATOM 949 O PHE A 66 -3.310 2.015 -7.357 1.00 0.00 O ATOM 950 CB PHE A 66 -1.725 4.206 -5.587 1.00 0.00 C ATOM 951 CG PHE A 66 -1.426 5.704 -5.490 1.00 0.00 C ATOM 952 CD1 PHE A 66 -1.751 6.530 -6.521 1.00 0.00 C ATOM 953 CD2 PHE A 66 -0.835 6.209 -4.374 1.00 0.00 C ATOM 954 CE1 PHE A 66 -1.473 7.920 -6.431 1.00 0.00 C ATOM 955 CE2 PHE A 66 -0.558 7.599 -4.284 1.00 0.00 C ATOM 956 CZ PHE A 66 -0.883 8.425 -5.315 1.00 0.00 C ATOM 0 H PHE A 66 -3.446 3.962 -3.771 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.595 4.452 -6.688 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.417 3.724 -4.659 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.120 3.776 -6.385 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.220 6.129 -7.407 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.576 5.553 -3.556 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.730 8.576 -7.249 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.090 8.000 -3.397 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.672 9.482 -5.247 1.00 0.00 H new ATOM 966 N TYR A 67 -3.450 1.592 -5.140 1.00 0.00 N ATOM 967 CA TYR A 67 -3.581 0.155 -5.309 1.00 0.00 C ATOM 968 C TYR A 67 -4.929 -0.338 -4.780 1.00 0.00 C ATOM 969 O TYR A 67 -5.406 0.134 -3.749 1.00 0.00 O ATOM 970 CB TYR A 67 -2.460 -0.472 -4.478 1.00 0.00 C ATOM 971 CG TYR A 67 -1.059 -0.237 -5.045 1.00 0.00 C ATOM 972 CD1 TYR A 67 -0.408 0.956 -4.803 1.00 0.00 C ATOM 973 CD2 TYR A 67 -0.446 -1.217 -5.800 1.00 0.00 C ATOM 974 CE1 TYR A 67 0.911 1.177 -5.337 1.00 0.00 C ATOM 975 CE2 TYR A 67 0.873 -0.995 -6.334 1.00 0.00 C ATOM 976 CZ TYR A 67 1.487 0.191 -6.076 1.00 0.00 C ATOM 977 OH TYR A 67 2.732 0.401 -6.580 1.00 0.00 O ATOM 0 H TYR A 67 -3.463 1.910 -4.171 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.520 -0.115 -6.363 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.503 -0.070 -3.466 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.635 -1.545 -4.402 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.888 1.723 -4.213 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.956 -2.150 -5.990 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.432 2.106 -5.155 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.364 -1.753 -6.926 1.00 0.00 H new ATOM 0 HH TYR A 67 3.018 -0.388 -7.086 1.00 0.00 H new ATOM 987 N ARG A 68 -5.506 -1.282 -5.509 1.00 0.00 N ATOM 988 CA ARG A 68 -6.789 -1.845 -5.126 1.00 0.00 C ATOM 989 C ARG A 68 -6.667 -3.357 -4.924 1.00 0.00 C ATOM 990 O ARG A 68 -5.570 -3.908 -4.986 1.00 0.00 O ATOM 991 CB ARG A 68 -7.853 -1.563 -6.189 1.00 0.00 C ATOM 992 CG ARG A 68 -8.076 -0.059 -6.357 1.00 0.00 C ATOM 993 CD ARG A 68 -9.461 0.350 -5.849 1.00 0.00 C ATOM 994 NE ARG A 68 -9.709 1.777 -6.152 1.00 0.00 N ATOM 995 CZ ARG A 68 -9.912 2.259 -7.386 1.00 0.00 C ATOM 996 NH1 ARG A 68 -9.897 1.432 -8.439 1.00 0.00 N ATOM 997 NH2 ARG A 68 -10.130 3.569 -7.566 1.00 0.00 N ATOM 0 H ARG A 68 -5.108 -1.671 -6.364 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.092 -1.374 -4.191 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.545 -1.997 -7.140 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.790 -2.044 -5.907 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.308 0.489 -5.811 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.975 0.212 -7.408 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.227 -0.268 -6.318 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.528 0.181 -4.774 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.727 2.435 -5.373 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.731 0.435 -8.302 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.052 1.799 -9.378 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.141 4.199 -6.764 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.284 3.936 -8.505 1.00 0.00 H new ATOM 1011 N GLU A 69 -7.810 -3.984 -4.687 1.00 0.00 N ATOM 1012 CA GLU A 69 -7.845 -5.421 -4.476 1.00 0.00 C ATOM 1013 C GLU A 69 -7.224 -6.148 -5.670 1.00 0.00 C ATOM 1014 O GLU A 69 -7.470 -5.786 -6.819 1.00 0.00 O ATOM 1015 CB GLU A 69 -9.275 -5.904 -4.224 1.00 0.00 C ATOM 1016 CG GLU A 69 -9.815 -5.353 -2.903 1.00 0.00 C ATOM 1017 CD GLU A 69 -11.237 -4.816 -3.073 1.00 0.00 C ATOM 1018 OE1 GLU A 69 -12.165 -5.653 -3.062 1.00 0.00 O ATOM 1019 OE2 GLU A 69 -11.364 -3.579 -3.209 1.00 0.00 O ATOM 0 H GLU A 69 -8.719 -3.523 -4.636 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.257 -5.652 -3.588 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.919 -5.588 -5.044 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.296 -6.994 -4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.807 -6.138 -2.147 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.163 -4.557 -2.543 1.00 0.00 H new ATOM 1026 N GLY A 70 -6.430 -7.162 -5.357 1.00 0.00 N ATOM 1027 CA GLY A 70 -5.771 -7.943 -6.390 1.00 0.00 C ATOM 1028 C GLY A 70 -4.823 -7.071 -7.216 1.00 0.00 C ATOM 1029 O GLY A 70 -4.835 -7.127 -8.445 1.00 0.00 O ATOM 0 H GLY A 70 -6.228 -7.461 -4.403 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.213 -8.760 -5.933 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.519 -8.393 -7.043 1.00 0.00 H new ATOM 1033 N ALA A 71 -4.025 -6.286 -6.509 1.00 0.00 N ATOM 1034 CA ALA A 71 -3.073 -5.403 -7.162 1.00 0.00 C ATOM 1035 C ALA A 71 -1.652 -5.816 -6.774 1.00 0.00 C ATOM 1036 O ALA A 71 -1.417 -6.268 -5.654 1.00 0.00 O ATOM 1037 CB ALA A 71 -3.381 -3.952 -6.787 1.00 0.00 C ATOM 0 H ALA A 71 -4.018 -6.242 -5.490 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.156 -5.484 -8.246 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.667 -3.290 -7.277 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.391 -3.699 -7.110 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.305 -3.832 -5.706 1.00 0.00 H new ATOM 1043 N GLN A 72 -0.741 -5.647 -7.721 1.00 0.00 N ATOM 1044 CA GLN A 72 0.651 -5.996 -7.492 1.00 0.00 C ATOM 1045 C GLN A 72 1.426 -4.781 -6.979 1.00 0.00 C ATOM 1046 O GLN A 72 1.607 -3.805 -7.705 1.00 0.00 O ATOM 1047 CB GLN A 72 1.291 -6.559 -8.763 1.00 0.00 C ATOM 1048 CG GLN A 72 2.817 -6.536 -8.664 1.00 0.00 C ATOM 1049 CD GLN A 72 3.418 -7.856 -9.151 1.00 0.00 C ATOM 1050 OE1 GLN A 72 2.942 -8.936 -8.840 1.00 0.00 O ATOM 1051 NE2 GLN A 72 4.487 -7.710 -9.928 1.00 0.00 N ATOM 0 H GLN A 72 -0.940 -5.273 -8.649 1.00 0.00 H new ATOM 0 HA GLN A 72 0.690 -6.774 -6.730 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.949 -7.581 -8.925 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.970 -5.975 -9.626 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.211 -5.712 -9.258 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.115 -6.356 -7.631 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.833 -6.776 -10.149 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.961 -8.532 -10.303 1.00 0.00 H new ATOM 1060 N ALA A 73 1.862 -4.880 -5.732 1.00 0.00 N ATOM 1061 CA ALA A 73 2.614 -3.801 -5.114 1.00 0.00 C ATOM 1062 C ALA A 73 4.096 -4.178 -5.071 1.00 0.00 C ATOM 1063 O ALA A 73 4.450 -5.343 -5.247 1.00 0.00 O ATOM 1064 CB ALA A 73 2.044 -3.513 -3.724 1.00 0.00 C ATOM 0 H ALA A 73 1.709 -5.691 -5.133 1.00 0.00 H new ATOM 0 HA ALA A 73 2.524 -2.886 -5.699 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.608 -2.704 -3.260 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.997 -3.222 -3.813 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.120 -4.408 -3.107 1.00 0.00 H new ATOM 1070 N ASN A 74 4.923 -3.170 -4.835 1.00 0.00 N ATOM 1071 CA ASN A 74 6.359 -3.380 -4.766 1.00 0.00 C ATOM 1072 C ASN A 74 6.858 -3.012 -3.368 1.00 0.00 C ATOM 1073 O ASN A 74 6.124 -2.418 -2.579 1.00 0.00 O ATOM 1074 CB ASN A 74 7.094 -2.499 -5.778 1.00 0.00 C ATOM 1075 CG ASN A 74 7.499 -3.303 -7.015 1.00 0.00 C ATOM 1076 OD1 ASN A 74 6.914 -3.190 -8.079 1.00 0.00 O ATOM 1077 ND2 ASN A 74 8.529 -4.120 -6.816 1.00 0.00 N ATOM 0 H ASN A 74 4.626 -2.205 -4.689 1.00 0.00 H new ATOM 0 HA ASN A 74 6.557 -4.428 -4.990 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.454 -1.668 -6.074 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.981 -2.068 -5.314 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.874 -4.701 -7.580 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.974 -4.166 -5.899 1.00 0.00 H new ATOM 1084 N ARG A 75 8.103 -3.380 -3.102 1.00 0.00 N ATOM 1085 CA ARG A 75 8.708 -3.095 -1.812 1.00 0.00 C ATOM 1086 C ARG A 75 8.853 -1.585 -1.615 1.00 0.00 C ATOM 1087 O ARG A 75 9.573 -0.924 -2.362 1.00 0.00 O ATOM 1088 CB ARG A 75 10.084 -3.753 -1.692 1.00 0.00 C ATOM 1089 CG ARG A 75 10.704 -3.482 -0.320 1.00 0.00 C ATOM 1090 CD ARG A 75 10.932 -4.787 0.446 1.00 0.00 C ATOM 1091 NE ARG A 75 12.242 -4.747 1.134 1.00 0.00 N ATOM 1092 CZ ARG A 75 13.416 -4.595 0.506 1.00 0.00 C ATOM 1093 NH1 ARG A 75 13.451 -4.467 -0.828 1.00 0.00 N ATOM 1094 NH2 ARG A 75 14.555 -4.571 1.211 1.00 0.00 N ATOM 0 H ARG A 75 8.709 -3.873 -3.758 1.00 0.00 H new ATOM 0 HA ARG A 75 8.054 -3.504 -1.042 1.00 0.00 H new ATOM 0 HB2 ARG A 75 9.992 -4.828 -1.847 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.742 -3.373 -2.474 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.652 -2.958 -0.442 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.050 -2.828 0.256 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.134 -4.936 1.174 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.898 -5.632 -0.241 1.00 0.00 H new ATOM 0 HE ARG A 75 12.252 -4.841 2.150 1.00 0.00 H new ATOM 0 HH11 ARG A 75 12.584 -4.485 -1.365 1.00 0.00 H new ATOM 0 HH12 ARG A 75 14.345 -4.351 -1.306 1.00 0.00 H new ATOM 0 HH21 ARG A 75 14.529 -4.668 2.226 1.00 0.00 H new ATOM 0 HH22 ARG A 75 15.448 -4.455 0.733 1.00 0.00 H new ATOM 1108 N HIS A 76 8.157 -1.083 -0.606 1.00 0.00 N ATOM 1109 CA HIS A 76 8.199 0.338 -0.301 1.00 0.00 C ATOM 1110 C HIS A 76 7.541 1.125 -1.436 1.00 0.00 C ATOM 1111 O HIS A 76 8.221 1.820 -2.190 1.00 0.00 O ATOM 1112 CB HIS A 76 9.633 0.790 -0.019 1.00 0.00 C ATOM 1113 CG HIS A 76 10.065 0.602 1.416 1.00 0.00 C ATOM 1114 ND1 HIS A 76 11.391 0.460 1.787 1.00 0.00 N ATOM 1115 CD2 HIS A 76 9.335 0.534 2.565 1.00 0.00 C ATOM 1116 CE1 HIS A 76 11.444 0.314 3.102 1.00 0.00 C ATOM 1117 NE2 HIS A 76 10.168 0.359 3.583 1.00 0.00 N ATOM 0 H HIS A 76 7.561 -1.634 0.011 1.00 0.00 H new ATOM 0 HA HIS A 76 7.632 0.536 0.608 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.312 0.236 -0.668 1.00 0.00 H new ATOM 0 HB3 HIS A 76 9.729 1.843 -0.282 1.00 0.00 H new ATOM 0 HD2 HIS A 76 8.260 0.610 2.635 1.00 0.00 H new ATOM 0 HE1 HIS A 76 12.340 0.182 3.690 1.00 0.00 H new ATOM 0 HE2 HIS A 76 9.899 0.272 4.563 1.00 0.00 H new ATOM 1125 N THR A 77 6.226 0.991 -1.521 1.00 0.00 N ATOM 1126 CA THR A 77 5.468 1.682 -2.551 1.00 0.00 C ATOM 1127 C THR A 77 4.298 2.448 -1.929 1.00 0.00 C ATOM 1128 O THR A 77 3.801 2.074 -0.868 1.00 0.00 O ATOM 1129 CB THR A 77 5.034 0.648 -3.591 1.00 0.00 C ATOM 1130 OG1 THR A 77 4.717 -0.508 -2.821 1.00 0.00 O ATOM 1131 CG2 THR A 77 6.190 0.196 -4.485 1.00 0.00 C ATOM 0 H THR A 77 5.666 0.414 -0.894 1.00 0.00 H new ATOM 0 HA THR A 77 6.076 2.434 -3.053 1.00 0.00 H new ATOM 0 HB THR A 77 4.240 1.067 -4.209 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.534 -1.023 -2.653 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.828 -0.538 -5.205 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.597 1.056 -5.017 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.971 -0.253 -3.871 1.00 0.00 H new ATOM 1139 N PRO A 78 3.882 3.533 -2.635 1.00 0.00 N ATOM 1140 CA PRO A 78 2.780 4.354 -2.164 1.00 0.00 C ATOM 1141 C PRO A 78 1.439 3.652 -2.386 1.00 0.00 C ATOM 1142 O PRO A 78 0.980 3.526 -3.521 1.00 0.00 O ATOM 1143 CB PRO A 78 2.903 5.658 -2.936 1.00 0.00 C ATOM 1144 CG PRO A 78 3.780 5.349 -4.138 1.00 0.00 C ATOM 1145 CD PRO A 78 4.447 4.005 -3.895 1.00 0.00 C ATOM 0 HA PRO A 78 2.821 4.537 -1.090 1.00 0.00 H new ATOM 0 HB2 PRO A 78 1.924 6.020 -3.250 1.00 0.00 H new ATOM 0 HB3 PRO A 78 3.348 6.438 -2.318 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.182 5.319 -5.049 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.530 6.128 -4.274 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.241 3.308 -4.707 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.530 4.107 -3.830 1.00 0.00 H new ATOM 1153 N LEU A 79 0.847 3.213 -1.285 1.00 0.00 N ATOM 1154 CA LEU A 79 -0.432 2.527 -1.345 1.00 0.00 C ATOM 1155 C LEU A 79 -1.558 3.561 -1.402 1.00 0.00 C ATOM 1156 O LEU A 79 -2.336 3.585 -2.355 1.00 0.00 O ATOM 1157 CB LEU A 79 -0.564 1.537 -0.186 1.00 0.00 C ATOM 1158 CG LEU A 79 0.517 0.457 -0.100 1.00 0.00 C ATOM 1159 CD1 LEU A 79 0.343 -0.394 1.160 1.00 0.00 C ATOM 1160 CD2 LEU A 79 0.543 -0.396 -1.369 1.00 0.00 C ATOM 0 H LEU A 79 1.230 3.319 -0.346 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.501 1.929 -2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.563 2.099 0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.534 1.047 -0.262 1.00 0.00 H new ATOM 0 HG LEU A 79 1.486 0.950 -0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.124 -1.154 1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.414 0.243 2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.633 -0.878 1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.320 -1.155 -1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.424 -0.880 -1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.752 0.239 -2.230 1.00 0.00 H new ATOM 1172 N VAL A 80 -1.611 4.389 -0.369 1.00 0.00 N ATOM 1173 CA VAL A 80 -2.629 5.422 -0.289 1.00 0.00 C ATOM 1174 C VAL A 80 -1.954 6.785 -0.118 1.00 0.00 C ATOM 1175 O VAL A 80 -0.794 6.861 0.284 1.00 0.00 O ATOM 1176 CB VAL A 80 -3.616 5.099 0.834 1.00 0.00 C ATOM 1177 CG1 VAL A 80 -4.486 3.894 0.469 1.00 0.00 C ATOM 1178 CG2 VAL A 80 -2.884 4.867 2.157 1.00 0.00 C ATOM 0 H VAL A 80 -0.965 4.365 0.420 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.208 5.459 -1.212 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.273 5.960 0.961 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.179 3.685 1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.049 4.113 -0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.851 3.024 0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.609 4.639 2.939 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.193 4.031 2.049 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.328 5.765 2.428 1.00 0.00 H new ATOM 1188 N GLU A 81 -2.710 7.827 -0.430 1.00 0.00 N ATOM 1189 CA GLU A 81 -2.200 9.183 -0.316 1.00 0.00 C ATOM 1190 C GLU A 81 -3.103 10.015 0.597 1.00 0.00 C ATOM 1191 O GLU A 81 -4.295 10.162 0.331 1.00 0.00 O ATOM 1192 CB GLU A 81 -2.063 9.835 -1.693 1.00 0.00 C ATOM 1193 CG GLU A 81 -1.225 11.113 -1.613 1.00 0.00 C ATOM 1194 CD GLU A 81 -0.190 11.162 -2.739 1.00 0.00 C ATOM 1195 OE1 GLU A 81 -0.620 11.341 -3.898 1.00 0.00 O ATOM 1196 OE2 GLU A 81 1.009 11.018 -2.414 1.00 0.00 O ATOM 0 H GLU A 81 -3.672 7.760 -0.762 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.206 9.140 0.130 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.599 9.134 -2.387 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.051 10.068 -2.089 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.877 11.984 -1.676 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.720 11.161 -0.648 1.00 0.00 H new ATOM 1203 N PHE A 82 -2.500 10.537 1.656 1.00 0.00 N ATOM 1204 CA PHE A 82 -3.235 11.350 2.610 1.00 0.00 C ATOM 1205 C PHE A 82 -3.459 12.763 2.068 1.00 0.00 C ATOM 1206 O PHE A 82 -2.682 13.247 1.245 1.00 0.00 O ATOM 1207 CB PHE A 82 -2.383 11.432 3.878 1.00 0.00 C ATOM 1208 CG PHE A 82 -2.509 10.212 4.792 1.00 0.00 C ATOM 1209 CD1 PHE A 82 -3.738 9.778 5.182 1.00 0.00 C ATOM 1210 CD2 PHE A 82 -1.392 9.560 5.214 1.00 0.00 C ATOM 1211 CE1 PHE A 82 -3.854 8.645 6.030 1.00 0.00 C ATOM 1212 CE2 PHE A 82 -1.509 8.428 6.063 1.00 0.00 C ATOM 1213 CZ PHE A 82 -2.738 7.994 6.453 1.00 0.00 C ATOM 0 H PHE A 82 -1.511 10.413 1.874 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.211 10.905 2.804 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.338 11.554 3.594 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.667 12.323 4.437 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.625 10.295 4.847 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.416 9.903 4.903 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.830 8.300 6.339 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.622 7.911 6.399 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.827 7.133 7.098 1.00 0.00 H new ATOM 1223 N GLU A 83 -4.524 13.386 2.551 1.00 0.00 N ATOM 1224 CA GLU A 83 -4.860 14.734 2.125 1.00 0.00 C ATOM 1225 C GLU A 83 -3.828 15.731 2.657 1.00 0.00 C ATOM 1226 O GLU A 83 -3.050 15.406 3.552 1.00 0.00 O ATOM 1227 CB GLU A 83 -6.272 15.115 2.574 1.00 0.00 C ATOM 1228 CG GLU A 83 -7.305 14.744 1.507 1.00 0.00 C ATOM 1229 CD GLU A 83 -7.405 15.835 0.439 1.00 0.00 C ATOM 1230 OE1 GLU A 83 -6.334 16.343 0.043 1.00 0.00 O ATOM 1231 OE2 GLU A 83 -8.552 16.137 0.042 1.00 0.00 O ATOM 0 H GLU A 83 -5.166 12.982 3.233 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.840 14.766 1.036 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.510 14.607 3.508 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.318 16.186 2.773 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.028 13.798 1.041 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.279 14.597 1.974 1.00 0.00 H new