USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 537 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 49 ASN : amide:sc= -0.361 K(o=-0.98,f=-2.4!) USER MOD Set 1.2: A 51 HIS : no HE2:sc= -0.617 K(o=-0.98,f=-2) USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= 0.261 USER MOD Set 2.2: A 65 THR OG1 : rot -73:sc= 0.281 USER MOD Single : A 28 HIS : no HE2:sc= -3.92! C(o=-3.9!,f=-7!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.154) USER MOD Single : A 42 MET CE :methyl -126:sc= -0.135 (180deg=-1.51) USER MOD Single : A 43 MET CE :methyl -179:sc= -0.0324 (180deg=-0.0333) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.31 K(o=-1.3,f=-3.8!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 176 N VAL A 15 -0.227 -17.354 15.828 1.00 0.00 N ATOM 177 CA VAL A 15 -0.127 -15.916 16.050 1.00 0.00 C ATOM 178 C VAL A 15 0.329 -15.195 14.786 1.00 0.00 C ATOM 179 O VAL A 15 1.230 -15.642 14.078 1.00 0.00 O ATOM 180 CB VAL A 15 0.853 -15.592 17.193 1.00 0.00 C ATOM 181 CG1 VAL A 15 2.250 -16.092 16.858 1.00 0.00 C ATOM 182 CG2 VAL A 15 0.867 -14.097 17.476 1.00 0.00 C ATOM 0 HA VAL A 15 -1.123 -15.568 16.324 1.00 0.00 H new ATOM 0 HB VAL A 15 0.515 -16.106 18.093 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.928 -15.854 17.678 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.224 -17.172 16.710 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.600 -15.609 15.946 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.565 -13.887 18.286 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.179 -13.560 16.580 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.133 -13.772 17.765 1.00 0.00 H new ATOM 192 N PRO A 16 -0.309 -14.052 14.495 1.00 0.00 N ATOM 193 CA PRO A 16 0.014 -13.243 13.316 1.00 0.00 C ATOM 194 C PRO A 16 1.376 -12.568 13.431 1.00 0.00 C ATOM 195 O PRO A 16 2.071 -12.717 14.436 1.00 0.00 O ATOM 196 CB PRO A 16 -1.101 -12.195 13.289 1.00 0.00 C ATOM 197 CG PRO A 16 -1.555 -12.087 14.703 1.00 0.00 C ATOM 198 CD PRO A 16 -1.395 -13.460 15.295 1.00 0.00 C ATOM 0 HA PRO A 16 0.072 -13.847 12.411 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.736 -11.238 12.917 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.916 -12.502 12.634 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.960 -11.355 15.249 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.593 -11.758 14.756 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.136 -13.414 16.353 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.314 -14.041 15.217 1.00 0.00 H new ATOM 206 N VAL A 17 1.753 -11.826 12.395 1.00 0.00 N ATOM 207 CA VAL A 17 3.033 -11.127 12.381 1.00 0.00 C ATOM 208 C VAL A 17 2.923 -9.794 11.650 1.00 0.00 C ATOM 209 O VAL A 17 2.081 -9.623 10.767 1.00 0.00 O ATOM 210 CB VAL A 17 4.130 -11.977 11.712 1.00 0.00 C ATOM 211 CG1 VAL A 17 4.697 -12.988 12.697 1.00 0.00 C ATOM 212 CG2 VAL A 17 3.583 -12.675 10.476 1.00 0.00 C ATOM 0 H VAL A 17 1.191 -11.693 11.554 1.00 0.00 H new ATOM 0 HA VAL A 17 3.306 -10.947 13.421 1.00 0.00 H new ATOM 0 HB VAL A 17 4.938 -11.316 11.400 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.470 -13.579 12.207 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.127 -12.463 13.550 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.900 -13.647 13.041 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.371 -13.271 10.016 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.756 -13.325 10.761 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.229 -11.930 9.764 1.00 0.00 H new ATOM 222 N THR A 18 3.779 -8.847 12.024 1.00 0.00 N ATOM 223 CA THR A 18 3.778 -7.528 11.405 1.00 0.00 C ATOM 224 C THR A 18 4.845 -7.428 10.321 1.00 0.00 C ATOM 225 O THR A 18 5.958 -7.928 10.486 1.00 0.00 O ATOM 226 CB THR A 18 4.014 -6.419 12.446 1.00 0.00 C ATOM 227 OG1 THR A 18 2.975 -6.442 13.431 1.00 0.00 O ATOM 228 CG2 THR A 18 4.059 -5.052 11.781 1.00 0.00 C ATOM 0 H THR A 18 4.482 -8.970 12.753 1.00 0.00 H new ATOM 0 HA THR A 18 2.794 -7.391 10.956 1.00 0.00 H new ATOM 0 HB THR A 18 4.975 -6.603 12.927 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.134 -5.734 14.090 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.227 -4.285 12.537 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.870 -5.028 11.053 1.00 0.00 H new ATOM 0 HG23 THR A 18 3.112 -4.862 11.275 1.00 0.00 H new ATOM 236 N ILE A 19 4.500 -6.778 9.215 1.00 0.00 N ATOM 237 CA ILE A 19 5.430 -6.611 8.105 1.00 0.00 C ATOM 238 C ILE A 19 5.649 -5.135 7.788 1.00 0.00 C ATOM 239 O ILE A 19 5.106 -4.260 8.461 1.00 0.00 O ATOM 240 CB ILE A 19 4.929 -7.329 6.838 1.00 0.00 C ATOM 241 CG1 ILE A 19 3.561 -6.783 6.424 1.00 0.00 C ATOM 242 CG2 ILE A 19 4.858 -8.830 7.072 1.00 0.00 C ATOM 243 CD1 ILE A 19 3.113 -7.249 5.056 1.00 0.00 C ATOM 0 H ILE A 19 3.583 -6.358 9.063 1.00 0.00 H new ATOM 0 HA ILE A 19 6.375 -7.057 8.415 1.00 0.00 H new ATOM 0 HB ILE A 19 5.635 -7.141 6.029 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.819 -7.086 7.163 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.595 -5.694 6.435 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.502 -9.323 6.167 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.849 -9.206 7.324 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.171 -9.038 7.893 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.136 -6.823 4.829 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.834 -6.923 4.306 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.046 -8.337 5.046 1.00 0.00 H new ATOM 255 N GLU A 20 6.446 -4.869 6.758 1.00 0.00 N ATOM 256 CA GLU A 20 6.735 -3.499 6.352 1.00 0.00 C ATOM 257 C GLU A 20 6.494 -3.313 4.857 1.00 0.00 C ATOM 258 O GLU A 20 7.032 -4.053 4.033 1.00 0.00 O ATOM 259 CB GLU A 20 8.181 -3.135 6.696 1.00 0.00 C ATOM 260 CG GLU A 20 8.344 -2.537 8.082 1.00 0.00 C ATOM 261 CD GLU A 20 9.783 -2.179 8.398 1.00 0.00 C ATOM 262 OE1 GLU A 20 10.658 -3.059 8.256 1.00 0.00 O ATOM 263 OE2 GLU A 20 10.036 -1.020 8.786 1.00 0.00 O ATOM 0 H GLU A 20 6.902 -5.583 6.190 1.00 0.00 H new ATOM 0 HA GLU A 20 6.062 -2.836 6.897 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.800 -4.029 6.620 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.554 -2.426 5.957 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.725 -1.643 8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.979 -3.246 8.825 1.00 0.00 H new ATOM 270 N VAL A 21 5.681 -2.318 4.514 1.00 0.00 N ATOM 271 CA VAL A 21 5.369 -2.035 3.118 1.00 0.00 C ATOM 272 C VAL A 21 5.824 -0.633 2.727 1.00 0.00 C ATOM 273 O VAL A 21 5.457 0.351 3.369 1.00 0.00 O ATOM 274 CB VAL A 21 3.859 -2.167 2.842 1.00 0.00 C ATOM 275 CG1 VAL A 21 3.596 -2.272 1.348 1.00 0.00 C ATOM 276 CG2 VAL A 21 3.288 -3.368 3.578 1.00 0.00 C ATOM 0 H VAL A 21 5.227 -1.696 5.183 1.00 0.00 H new ATOM 0 HA VAL A 21 5.906 -2.770 2.519 1.00 0.00 H new ATOM 0 HB VAL A 21 3.359 -1.271 3.211 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.524 -2.365 1.173 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.969 -1.378 0.849 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.106 -3.149 0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.220 -3.447 3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.791 -4.274 3.240 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.443 -3.245 4.650 1.00 0.00 H new ATOM 286 N GLU A 22 6.626 -0.549 1.671 1.00 0.00 N ATOM 287 CA GLU A 22 7.131 0.733 1.194 1.00 0.00 C ATOM 288 C GLU A 22 6.025 1.536 0.517 1.00 0.00 C ATOM 289 O GLU A 22 5.564 1.186 -0.568 1.00 0.00 O ATOM 290 CB GLU A 22 8.291 0.519 0.220 1.00 0.00 C ATOM 291 CG GLU A 22 9.596 0.140 0.899 1.00 0.00 C ATOM 292 CD GLU A 22 10.504 -0.682 0.005 1.00 0.00 C ATOM 293 OE1 GLU A 22 11.071 -0.111 -0.951 1.00 0.00 O ATOM 294 OE2 GLU A 22 10.646 -1.896 0.260 1.00 0.00 O ATOM 0 H GLU A 22 6.940 -1.354 1.129 1.00 0.00 H new ATOM 0 HA GLU A 22 7.489 1.296 2.056 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.019 -0.264 -0.488 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.443 1.432 -0.356 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.118 1.047 1.205 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.378 -0.424 1.806 1.00 0.00 H new ATOM 301 N VAL A 23 5.605 2.617 1.166 1.00 0.00 N ATOM 302 CA VAL A 23 4.553 3.472 0.629 1.00 0.00 C ATOM 303 C VAL A 23 4.733 4.917 1.084 1.00 0.00 C ATOM 304 O VAL A 23 4.924 5.201 2.266 1.00 0.00 O ATOM 305 CB VAL A 23 3.158 2.981 1.055 1.00 0.00 C ATOM 306 CG1 VAL A 23 2.098 4.013 0.703 1.00 0.00 C ATOM 307 CG2 VAL A 23 2.844 1.641 0.405 1.00 0.00 C ATOM 0 H VAL A 23 5.978 2.922 2.065 1.00 0.00 H new ATOM 0 HA VAL A 23 4.630 3.424 -0.457 1.00 0.00 H new ATOM 0 HB VAL A 23 3.154 2.845 2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.118 3.648 1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.316 4.949 1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.099 4.183 -0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.854 1.308 0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.866 1.749 -0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.587 0.905 0.711 1.00 0.00 H new ATOM 317 N PRO A 24 4.669 5.851 0.125 1.00 0.00 N ATOM 318 CA PRO A 24 4.820 7.283 0.403 1.00 0.00 C ATOM 319 C PRO A 24 3.633 7.852 1.174 1.00 0.00 C ATOM 320 O PRO A 24 2.478 7.598 0.831 1.00 0.00 O ATOM 321 CB PRO A 24 4.902 7.909 -0.991 1.00 0.00 C ATOM 322 CG PRO A 24 4.187 6.949 -1.879 1.00 0.00 C ATOM 323 CD PRO A 24 4.444 5.584 -1.305 1.00 0.00 C ATOM 0 HA PRO A 24 5.689 7.487 1.028 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.433 8.893 -1.012 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.937 8.043 -1.305 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.119 7.165 -1.908 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.554 7.017 -2.903 1.00 0.00 H new ATOM 0 HD2 PRO A 24 3.596 4.917 -1.460 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.311 5.111 -1.766 1.00 0.00 H new ATOM 331 N PHE A 25 3.925 8.623 2.216 1.00 0.00 N ATOM 332 CA PHE A 25 2.882 9.228 3.036 1.00 0.00 C ATOM 333 C PHE A 25 1.958 10.096 2.185 1.00 0.00 C ATOM 334 O PHE A 25 0.841 10.415 2.593 1.00 0.00 O ATOM 335 CB PHE A 25 3.505 10.069 4.153 1.00 0.00 C ATOM 336 CG PHE A 25 2.507 10.553 5.165 1.00 0.00 C ATOM 337 CD1 PHE A 25 1.657 11.607 4.870 1.00 0.00 C ATOM 338 CD2 PHE A 25 2.420 9.956 6.412 1.00 0.00 C ATOM 339 CE1 PHE A 25 0.737 12.055 5.798 1.00 0.00 C ATOM 340 CE2 PHE A 25 1.502 10.401 7.345 1.00 0.00 C ATOM 341 CZ PHE A 25 0.660 11.452 7.039 1.00 0.00 C ATOM 0 H PHE A 25 4.876 8.844 2.513 1.00 0.00 H new ATOM 0 HA PHE A 25 2.292 8.426 3.481 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.267 9.478 4.660 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.009 10.929 3.712 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.715 12.084 3.903 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.076 9.134 6.658 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.079 12.876 5.554 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.443 9.927 8.313 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.057 11.802 7.767 1.00 0.00 H new ATOM 351 N ASP A 26 2.432 10.474 1.004 1.00 0.00 N ATOM 352 CA ASP A 26 1.649 11.304 0.095 1.00 0.00 C ATOM 353 C ASP A 26 0.443 10.538 -0.438 1.00 0.00 C ATOM 354 O ASP A 26 -0.466 11.122 -1.028 1.00 0.00 O ATOM 355 CB ASP A 26 2.519 11.785 -1.067 1.00 0.00 C ATOM 356 CG ASP A 26 3.829 12.388 -0.599 1.00 0.00 C ATOM 357 OD1 ASP A 26 4.813 11.632 -0.458 1.00 0.00 O ATOM 358 OD2 ASP A 26 3.870 13.616 -0.375 1.00 0.00 O ATOM 0 H ASP A 26 3.355 10.219 0.653 1.00 0.00 H new ATOM 0 HA ASP A 26 1.289 12.170 0.651 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.726 10.947 -1.733 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.968 12.526 -1.647 1.00 0.00 H new ATOM 363 N LEU A 27 0.443 9.225 -0.228 1.00 0.00 N ATOM 364 CA LEU A 27 -0.651 8.378 -0.689 1.00 0.00 C ATOM 365 C LEU A 27 -1.550 7.968 0.474 1.00 0.00 C ATOM 366 O LEU A 27 -2.744 7.722 0.294 1.00 0.00 O ATOM 367 CB LEU A 27 -0.100 7.132 -1.385 1.00 0.00 C ATOM 368 CG LEU A 27 0.638 7.372 -2.703 1.00 0.00 C ATOM 369 CD1 LEU A 27 1.376 6.115 -3.138 1.00 0.00 C ATOM 370 CD2 LEU A 27 -0.334 7.823 -3.784 1.00 0.00 C ATOM 0 H LEU A 27 1.188 8.725 0.258 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.246 8.951 -1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.579 6.627 -0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.928 6.449 -1.574 1.00 0.00 H new ATOM 0 HG LEU A 27 1.371 8.164 -2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.895 6.305 -4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.100 5.835 -2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.662 5.303 -3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.208 7.989 -4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.090 7.053 -3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.817 8.750 -3.475 1.00 0.00 H new ATOM 382 N HIS A 28 -0.969 7.897 1.668 1.00 0.00 N ATOM 383 CA HIS A 28 -1.717 7.519 2.861 1.00 0.00 C ATOM 384 C HIS A 28 -3.078 8.207 2.889 1.00 0.00 C ATOM 385 O HIS A 28 -4.118 7.549 2.874 1.00 0.00 O ATOM 386 CB HIS A 28 -0.926 7.878 4.119 1.00 0.00 C ATOM 387 CG HIS A 28 0.380 7.155 4.231 1.00 0.00 C ATOM 388 ND1 HIS A 28 1.271 7.364 5.263 1.00 0.00 N ATOM 389 CD2 HIS A 28 0.946 6.219 3.434 1.00 0.00 C ATOM 390 CE1 HIS A 28 2.328 6.589 5.095 1.00 0.00 C ATOM 391 NE2 HIS A 28 2.155 5.884 3.992 1.00 0.00 N ATOM 0 H HIS A 28 0.017 8.096 1.834 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.875 6.441 2.835 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -0.739 8.952 4.127 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.533 7.653 4.996 1.00 0.00 H new ATOM 0 HD1 HIS A 28 1.135 8.016 6.036 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.525 5.811 2.527 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.187 6.540 5.748 1.00 0.00 H new ATOM 399 N ARG A 29 -3.064 9.536 2.930 1.00 0.00 N ATOM 400 CA ARG A 29 -4.297 10.313 2.963 1.00 0.00 C ATOM 401 C ARG A 29 -5.310 9.767 1.961 1.00 0.00 C ATOM 402 O ARG A 29 -6.519 9.827 2.188 1.00 0.00 O ATOM 403 CB ARG A 29 -4.007 11.784 2.659 1.00 0.00 C ATOM 404 CG ARG A 29 -3.202 11.996 1.388 1.00 0.00 C ATOM 405 CD ARG A 29 -3.127 13.469 1.015 1.00 0.00 C ATOM 406 NE ARG A 29 -1.987 14.134 1.641 1.00 0.00 N ATOM 407 CZ ARG A 29 -1.593 15.364 1.328 1.00 0.00 C ATOM 408 NH1 ARG A 29 -2.240 16.057 0.402 1.00 0.00 N ATOM 409 NH2 ARG A 29 -0.546 15.901 1.942 1.00 0.00 N ATOM 0 H ARG A 29 -2.212 10.097 2.941 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.721 10.232 3.964 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.951 12.322 2.575 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.466 12.220 3.499 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.195 11.602 1.524 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.656 11.435 0.571 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.053 13.565 -0.068 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.048 13.967 1.317 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.466 13.627 2.356 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.044 15.647 -0.073 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.934 17.001 0.165 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.044 15.370 2.654 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.243 16.845 1.702 1.00 0.00 H new ATOM 423 N TYR A 30 -4.809 9.234 0.852 1.00 0.00 N ATOM 424 CA TYR A 30 -5.671 8.679 -0.186 1.00 0.00 C ATOM 425 C TYR A 30 -6.074 7.247 0.148 1.00 0.00 C ATOM 426 O TYR A 30 -7.171 6.803 -0.191 1.00 0.00 O ATOM 427 CB TYR A 30 -4.961 8.718 -1.541 1.00 0.00 C ATOM 428 CG TYR A 30 -4.547 10.107 -1.968 1.00 0.00 C ATOM 429 CD1 TYR A 30 -5.391 11.195 -1.781 1.00 0.00 C ATOM 430 CD2 TYR A 30 -3.309 10.335 -2.559 1.00 0.00 C ATOM 431 CE1 TYR A 30 -5.018 12.466 -2.171 1.00 0.00 C ATOM 432 CE2 TYR A 30 -2.926 11.603 -2.951 1.00 0.00 C ATOM 433 CZ TYR A 30 -3.785 12.665 -2.755 1.00 0.00 C ATOM 434 OH TYR A 30 -3.408 13.930 -3.144 1.00 0.00 O ATOM 0 H TYR A 30 -3.811 9.174 0.648 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.574 9.288 -0.237 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.077 8.082 -1.497 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.620 8.295 -2.299 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.357 11.044 -1.322 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.635 9.506 -2.714 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.688 13.299 -2.019 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.960 11.762 -3.408 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.511 13.898 -3.537 1.00 0.00 H new ATOM 444 N VAL A 31 -5.179 6.528 0.817 1.00 0.00 N ATOM 445 CA VAL A 31 -5.440 5.145 1.201 1.00 0.00 C ATOM 446 C VAL A 31 -6.412 5.075 2.374 1.00 0.00 C ATOM 447 O VAL A 31 -7.486 4.480 2.267 1.00 0.00 O ATOM 448 CB VAL A 31 -4.140 4.413 1.582 1.00 0.00 C ATOM 449 CG1 VAL A 31 -4.428 2.960 1.928 1.00 0.00 C ATOM 450 CG2 VAL A 31 -3.125 4.509 0.454 1.00 0.00 C ATOM 0 H VAL A 31 -4.266 6.880 1.105 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.884 4.654 0.335 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.717 4.895 2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.498 2.458 2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.118 2.917 2.770 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.875 2.463 1.067 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.212 3.986 0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.537 4.053 -0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.897 5.557 0.258 1.00 0.00 H new ATOM 460 N ILE A 32 -6.030 5.686 3.490 1.00 0.00 N ATOM 461 CA ILE A 32 -6.869 5.693 4.682 1.00 0.00 C ATOM 462 C ILE A 32 -8.311 6.053 4.336 1.00 0.00 C ATOM 463 O ILE A 32 -9.239 5.305 4.645 1.00 0.00 O ATOM 464 CB ILE A 32 -6.343 6.686 5.734 1.00 0.00 C ATOM 465 CG1 ILE A 32 -4.916 6.319 6.146 1.00 0.00 C ATOM 466 CG2 ILE A 32 -7.261 6.709 6.947 1.00 0.00 C ATOM 467 CD1 ILE A 32 -4.221 7.397 6.949 1.00 0.00 C ATOM 0 H ILE A 32 -5.145 6.183 3.594 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.837 4.686 5.097 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.329 7.683 5.295 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.941 5.400 6.732 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.331 6.110 5.251 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.875 7.416 7.682 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.262 7.014 6.640 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.305 5.714 7.389 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.214 7.067 7.206 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.164 8.311 6.358 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.784 7.590 7.862 1.00 0.00 H new ATOM 550 N ILE A 39 -9.393 1.674 3.763 1.00 0.00 N ATOM 551 CA ILE A 39 -8.591 0.555 4.239 1.00 0.00 C ATOM 552 C ILE A 39 -9.468 -0.526 4.861 1.00 0.00 C ATOM 553 O ILE A 39 -9.215 -1.719 4.694 1.00 0.00 O ATOM 554 CB ILE A 39 -7.546 1.011 5.275 1.00 0.00 C ATOM 555 CG1 ILE A 39 -6.592 2.033 4.652 1.00 0.00 C ATOM 556 CG2 ILE A 39 -6.772 -0.185 5.809 1.00 0.00 C ATOM 557 CD1 ILE A 39 -5.547 2.551 5.617 1.00 0.00 C ATOM 0 HA ILE A 39 -8.075 0.146 3.370 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.065 1.485 6.108 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.092 1.577 3.798 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.172 2.874 4.271 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.038 0.154 6.540 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.462 -0.882 6.284 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.261 -0.685 4.986 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.906 3.271 5.108 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.039 3.036 6.460 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.942 1.720 5.979 1.00 0.00 H new ATOM 569 N ARG A 40 -10.503 -0.100 5.580 1.00 0.00 N ATOM 570 CA ARG A 40 -11.418 -1.031 6.227 1.00 0.00 C ATOM 571 C ARG A 40 -11.833 -2.142 5.266 1.00 0.00 C ATOM 572 O ARG A 40 -12.174 -3.247 5.688 1.00 0.00 O ATOM 573 CB ARG A 40 -12.658 -0.291 6.733 1.00 0.00 C ATOM 574 CG ARG A 40 -12.513 0.242 8.148 1.00 0.00 C ATOM 575 CD ARG A 40 -12.866 -0.817 9.182 1.00 0.00 C ATOM 576 NE ARG A 40 -14.261 -1.237 9.080 1.00 0.00 N ATOM 577 CZ ARG A 40 -15.277 -0.537 9.574 1.00 0.00 C ATOM 578 NH1 ARG A 40 -15.054 0.610 10.201 1.00 0.00 N ATOM 579 NH2 ARG A 40 -16.518 -0.985 9.442 1.00 0.00 N ATOM 0 H ARG A 40 -10.728 0.884 5.728 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.900 -1.481 7.074 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.874 0.540 6.061 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.514 -0.964 6.693 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.489 0.580 8.307 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -13.160 1.110 8.279 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.216 -1.682 9.051 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.677 -0.425 10.181 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.467 -2.115 8.604 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -14.101 0.957 10.305 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -15.836 1.145 10.579 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -16.693 -1.867 8.961 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -17.297 -0.447 9.821 1.00 0.00 H new ATOM 593 N LYS A 41 -11.801 -1.841 3.972 1.00 0.00 N ATOM 594 CA LYS A 41 -12.172 -2.812 2.951 1.00 0.00 C ATOM 595 C LYS A 41 -11.172 -3.963 2.906 1.00 0.00 C ATOM 596 O LYS A 41 -11.556 -5.130 2.846 1.00 0.00 O ATOM 597 CB LYS A 41 -12.252 -2.137 1.580 1.00 0.00 C ATOM 598 CG LYS A 41 -10.895 -1.801 0.988 1.00 0.00 C ATOM 599 CD LYS A 41 -11.016 -0.812 -0.159 1.00 0.00 C ATOM 600 CE LYS A 41 -11.185 -1.523 -1.493 1.00 0.00 C ATOM 601 NZ LYS A 41 -12.620 -1.764 -1.815 1.00 0.00 N ATOM 0 H LYS A 41 -11.521 -0.931 3.606 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.152 -3.215 3.208 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.787 -2.792 0.892 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.837 -1.222 1.669 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.252 -1.384 1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.416 -2.714 0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.868 -0.155 0.015 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.128 -0.181 -0.192 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.731 -0.925 -2.283 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.654 -2.474 -1.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.717 -1.978 -2.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.971 -2.568 -1.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.175 -0.915 -1.586 1.00 0.00 H new ATOM 615 N MET A 42 -9.886 -3.625 2.934 1.00 0.00 N ATOM 616 CA MET A 42 -8.830 -4.630 2.898 1.00 0.00 C ATOM 617 C MET A 42 -8.807 -5.440 4.190 1.00 0.00 C ATOM 618 O MET A 42 -8.899 -6.667 4.166 1.00 0.00 O ATOM 619 CB MET A 42 -7.471 -3.966 2.674 1.00 0.00 C ATOM 620 CG MET A 42 -7.374 -3.206 1.361 1.00 0.00 C ATOM 621 SD MET A 42 -5.951 -2.100 1.302 1.00 0.00 S ATOM 622 CE MET A 42 -4.624 -3.270 1.025 1.00 0.00 C ATOM 0 H MET A 42 -9.551 -2.663 2.982 1.00 0.00 H new ATOM 0 HA MET A 42 -9.035 -5.307 2.069 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.271 -3.280 3.497 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.694 -4.730 2.700 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.311 -3.918 0.538 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.286 -2.627 1.213 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.857 -3.137 1.788 1.00 0.00 H new ATOM 0 HE2 MET A 42 -5.017 -4.285 1.078 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.189 -3.101 0.040 1.00 0.00 H new ATOM 632 N MET A 43 -8.684 -4.745 5.317 1.00 0.00 N ATOM 633 CA MET A 43 -8.650 -5.402 6.618 1.00 0.00 C ATOM 634 C MET A 43 -9.774 -6.425 6.741 1.00 0.00 C ATOM 635 O MET A 43 -9.652 -7.411 7.469 1.00 0.00 O ATOM 636 CB MET A 43 -8.764 -4.366 7.739 1.00 0.00 C ATOM 637 CG MET A 43 -7.671 -3.311 7.704 1.00 0.00 C ATOM 638 SD MET A 43 -7.462 -2.474 9.288 1.00 0.00 S ATOM 639 CE MET A 43 -8.704 -1.191 9.160 1.00 0.00 C ATOM 0 H MET A 43 -8.606 -3.729 5.355 1.00 0.00 H new ATOM 0 HA MET A 43 -7.697 -5.923 6.709 1.00 0.00 H new ATOM 0 HB2 MET A 43 -9.734 -3.874 7.671 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.733 -4.878 8.701 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.729 -3.779 7.418 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.907 -2.574 6.936 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.686 -0.576 10.060 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.496 -0.568 8.290 1.00 0.00 H new ATOM 0 HE3 MET A 43 -9.688 -1.647 9.052 1.00 0.00 H new ATOM 649 N ASP A 44 -10.867 -6.187 6.025 1.00 0.00 N ATOM 650 CA ASP A 44 -12.012 -7.088 6.053 1.00 0.00 C ATOM 651 C ASP A 44 -11.851 -8.205 5.025 1.00 0.00 C ATOM 652 O ASP A 44 -12.138 -9.367 5.309 1.00 0.00 O ATOM 653 CB ASP A 44 -13.305 -6.316 5.786 1.00 0.00 C ATOM 654 CG ASP A 44 -13.823 -5.608 7.022 1.00 0.00 C ATOM 655 OD1 ASP A 44 -13.967 -6.272 8.070 1.00 0.00 O ATOM 656 OD2 ASP A 44 -14.082 -4.389 6.943 1.00 0.00 O ATOM 0 H ASP A 44 -10.984 -5.376 5.417 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.064 -7.536 7.045 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -13.131 -5.584 4.998 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.066 -7.004 5.419 1.00 0.00 H new ATOM 661 N GLU A 45 -11.389 -7.841 3.833 1.00 0.00 N ATOM 662 CA GLU A 45 -11.191 -8.812 2.764 1.00 0.00 C ATOM 663 C GLU A 45 -10.061 -9.779 3.108 1.00 0.00 C ATOM 664 O GLU A 45 -10.258 -10.994 3.145 1.00 0.00 O ATOM 665 CB GLU A 45 -10.882 -8.098 1.446 1.00 0.00 C ATOM 666 CG GLU A 45 -10.594 -9.045 0.294 1.00 0.00 C ATOM 667 CD GLU A 45 -11.854 -9.643 -0.300 1.00 0.00 C ATOM 668 OE1 GLU A 45 -12.813 -8.882 -0.546 1.00 0.00 O ATOM 669 OE2 GLU A 45 -11.881 -10.872 -0.519 1.00 0.00 O ATOM 0 H GLU A 45 -11.145 -6.882 3.584 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.113 -9.383 2.652 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.727 -7.462 1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.023 -7.443 1.590 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.049 -8.510 -0.484 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.945 -9.848 0.643 1.00 0.00 H new ATOM 676 N PHE A 46 -8.877 -9.230 3.358 1.00 0.00 N ATOM 677 CA PHE A 46 -7.715 -10.043 3.699 1.00 0.00 C ATOM 678 C PHE A 46 -7.712 -10.392 5.183 1.00 0.00 C ATOM 679 O PHE A 46 -6.774 -11.013 5.683 1.00 0.00 O ATOM 680 CB PHE A 46 -6.426 -9.304 3.334 1.00 0.00 C ATOM 681 CG PHE A 46 -6.304 -8.998 1.869 1.00 0.00 C ATOM 682 CD1 PHE A 46 -6.095 -10.015 0.950 1.00 0.00 C ATOM 683 CD2 PHE A 46 -6.398 -7.694 1.409 1.00 0.00 C ATOM 684 CE1 PHE A 46 -5.983 -9.737 -0.399 1.00 0.00 C ATOM 685 CE2 PHE A 46 -6.286 -7.411 0.061 1.00 0.00 C ATOM 686 CZ PHE A 46 -6.077 -8.434 -0.844 1.00 0.00 C ATOM 0 H PHE A 46 -8.697 -8.226 3.331 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.770 -10.969 3.127 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.380 -8.372 3.897 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.572 -9.906 3.644 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.019 -11.036 1.292 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.561 -6.890 2.112 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.822 -10.539 -1.104 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.362 -6.391 -0.285 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.987 -8.214 -1.898 1.00 0.00 H new ATOM 696 N GLU A 47 -8.767 -9.988 5.884 1.00 0.00 N ATOM 697 CA GLU A 47 -8.885 -10.258 7.312 1.00 0.00 C ATOM 698 C GLU A 47 -7.589 -9.912 8.039 1.00 0.00 C ATOM 699 O GLU A 47 -7.132 -10.659 8.905 1.00 0.00 O ATOM 700 CB GLU A 47 -9.239 -11.727 7.549 1.00 0.00 C ATOM 701 CG GLU A 47 -10.654 -12.087 7.127 1.00 0.00 C ATOM 702 CD GLU A 47 -10.840 -13.577 6.918 1.00 0.00 C ATOM 703 OE1 GLU A 47 -10.772 -14.329 7.915 1.00 0.00 O ATOM 704 OE2 GLU A 47 -11.052 -13.994 5.760 1.00 0.00 O ATOM 0 H GLU A 47 -9.552 -9.473 5.486 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.683 -9.631 7.709 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.535 -12.355 7.003 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.115 -11.956 8.607 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.355 -11.740 7.887 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.899 -11.561 6.204 1.00 0.00 H new ATOM 711 N VAL A 48 -7.001 -8.775 7.681 1.00 0.00 N ATOM 712 CA VAL A 48 -5.758 -8.330 8.299 1.00 0.00 C ATOM 713 C VAL A 48 -5.917 -6.947 8.922 1.00 0.00 C ATOM 714 O VAL A 48 -6.995 -6.355 8.872 1.00 0.00 O ATOM 715 CB VAL A 48 -4.606 -8.290 7.277 1.00 0.00 C ATOM 716 CG1 VAL A 48 -4.332 -9.682 6.727 1.00 0.00 C ATOM 717 CG2 VAL A 48 -4.924 -7.317 6.153 1.00 0.00 C ATOM 0 H VAL A 48 -7.366 -8.145 6.966 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.517 -9.052 9.080 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.706 -7.942 7.784 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.515 -9.634 6.007 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.057 -10.348 7.544 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.228 -10.062 6.235 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.099 -7.302 5.441 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.836 -7.632 5.646 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.065 -6.318 6.566 1.00 0.00 H new ATOM 727 N ASN A 49 -4.838 -6.439 9.506 1.00 0.00 N ATOM 728 CA ASN A 49 -4.859 -5.126 10.139 1.00 0.00 C ATOM 729 C ASN A 49 -3.727 -4.249 9.610 1.00 0.00 C ATOM 730 O ASN A 49 -2.550 -4.551 9.811 1.00 0.00 O ATOM 731 CB ASN A 49 -4.744 -5.266 11.658 1.00 0.00 C ATOM 732 CG ASN A 49 -4.361 -3.962 12.332 1.00 0.00 C ATOM 733 OD1 ASN A 49 -3.248 -3.815 12.838 1.00 0.00 O ATOM 734 ND2 ASN A 49 -5.285 -3.008 12.342 1.00 0.00 N ATOM 0 H ASN A 49 -3.938 -6.916 9.554 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.809 -4.649 9.897 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.695 -5.614 12.061 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.000 -6.026 11.895 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.085 -2.109 12.781 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.194 -3.174 11.910 1.00 0.00 H new ATOM 741 N ILE A 50 -4.092 -3.164 8.936 1.00 0.00 N ATOM 742 CA ILE A 50 -3.108 -2.243 8.380 1.00 0.00 C ATOM 743 C ILE A 50 -2.922 -1.027 9.282 1.00 0.00 C ATOM 744 O ILE A 50 -3.895 -0.426 9.739 1.00 0.00 O ATOM 745 CB ILE A 50 -3.513 -1.768 6.973 1.00 0.00 C ATOM 746 CG1 ILE A 50 -3.553 -2.950 6.003 1.00 0.00 C ATOM 747 CG2 ILE A 50 -2.549 -0.701 6.477 1.00 0.00 C ATOM 748 CD1 ILE A 50 -4.059 -2.586 4.625 1.00 0.00 C ATOM 0 H ILE A 50 -5.062 -2.901 8.762 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.167 -2.789 8.312 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.511 -1.333 7.026 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.551 -3.370 5.914 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.190 -3.730 6.420 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.848 -0.375 5.481 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.566 0.150 7.158 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.540 -1.112 6.436 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.060 -3.473 3.992 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.073 -2.194 4.702 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.409 -1.828 4.187 1.00 0.00 H new ATOM 760 N HIS A 51 -1.667 -0.671 9.534 1.00 0.00 N ATOM 761 CA HIS A 51 -1.353 0.476 10.379 1.00 0.00 C ATOM 762 C HIS A 51 -0.542 1.514 9.608 1.00 0.00 C ATOM 763 O HIS A 51 0.448 1.183 8.954 1.00 0.00 O ATOM 764 CB HIS A 51 -0.579 0.026 11.619 1.00 0.00 C ATOM 765 CG HIS A 51 -1.459 -0.456 12.731 1.00 0.00 C ATOM 766 ND1 HIS A 51 -1.049 -0.510 14.046 1.00 0.00 N ATOM 767 CD2 HIS A 51 -2.736 -0.906 12.718 1.00 0.00 C ATOM 768 CE1 HIS A 51 -2.034 -0.974 14.794 1.00 0.00 C ATOM 769 NE2 HIS A 51 -3.069 -1.223 14.012 1.00 0.00 N ATOM 0 H HIS A 51 -0.851 -1.160 9.166 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.292 0.933 10.691 1.00 0.00 H new ATOM 0 HB2 HIS A 51 0.108 -0.772 11.339 1.00 0.00 H new ATOM 0 HB3 HIS A 51 0.027 0.857 11.980 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -0.128 -0.235 14.388 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.374 -0.998 11.851 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -1.999 -1.124 15.863 1.00 0.00 H new ATOM 777 N VAL A 52 -0.968 2.770 9.689 1.00 0.00 N ATOM 778 CA VAL A 52 -0.282 3.857 8.999 1.00 0.00 C ATOM 779 C VAL A 52 0.448 4.761 9.987 1.00 0.00 C ATOM 780 O VAL A 52 -0.061 5.087 11.059 1.00 0.00 O ATOM 781 CB VAL A 52 -1.265 4.705 8.172 1.00 0.00 C ATOM 782 CG1 VAL A 52 -0.545 5.882 7.530 1.00 0.00 C ATOM 783 CG2 VAL A 52 -1.951 3.851 7.118 1.00 0.00 C ATOM 0 H VAL A 52 -1.785 3.061 10.226 1.00 0.00 H new ATOM 0 HA VAL A 52 0.444 3.398 8.327 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.030 5.098 8.842 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.255 6.470 6.949 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.105 6.507 8.307 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.242 5.512 6.873 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.642 4.468 6.543 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.202 3.426 6.450 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.502 3.046 7.604 1.00 0.00 H new ATOM 793 N PRO A 53 1.668 5.176 9.618 1.00 0.00 N ATOM 794 CA PRO A 53 2.494 6.050 10.458 1.00 0.00 C ATOM 795 C PRO A 53 1.933 7.465 10.550 1.00 0.00 C ATOM 796 O PRO A 53 1.493 8.034 9.552 1.00 0.00 O ATOM 797 CB PRO A 53 3.846 6.056 9.739 1.00 0.00 C ATOM 798 CG PRO A 53 3.521 5.751 8.319 1.00 0.00 C ATOM 799 CD PRO A 53 2.337 4.827 8.353 1.00 0.00 C ATOM 0 HA PRO A 53 2.544 5.697 11.488 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.340 7.023 9.833 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.521 5.311 10.159 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.289 6.662 7.768 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.367 5.282 7.817 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.682 4.982 7.496 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.643 3.781 8.335 1.00 0.00 H new ATOM 807 N ALA A 54 1.952 8.026 11.754 1.00 0.00 N ATOM 808 CA ALA A 54 1.447 9.375 11.976 1.00 0.00 C ATOM 809 C ALA A 54 2.191 10.388 11.112 1.00 0.00 C ATOM 810 O ALA A 54 3.320 10.160 10.678 1.00 0.00 O ATOM 811 CB ALA A 54 1.562 9.747 13.447 1.00 0.00 C ATOM 0 H ALA A 54 2.312 7.567 12.591 1.00 0.00 H new ATOM 0 HA ALA A 54 0.396 9.395 11.690 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.181 10.757 13.598 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.980 9.047 14.046 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.607 9.704 13.752 1.00 0.00 H new ATOM 817 N PRO A 55 1.546 11.536 10.857 1.00 0.00 N ATOM 818 CA PRO A 55 2.128 12.607 10.042 1.00 0.00 C ATOM 819 C PRO A 55 3.288 13.303 10.744 1.00 0.00 C ATOM 820 O PRO A 55 4.027 14.071 10.129 1.00 0.00 O ATOM 821 CB PRO A 55 0.961 13.579 9.847 1.00 0.00 C ATOM 822 CG PRO A 55 0.069 13.339 11.015 1.00 0.00 C ATOM 823 CD PRO A 55 0.198 11.876 11.341 1.00 0.00 C ATOM 0 HA PRO A 55 2.546 12.228 9.109 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.307 14.612 9.819 1.00 0.00 H new ATOM 0 HB3 PRO A 55 0.442 13.391 8.907 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.364 13.956 11.864 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.963 13.596 10.777 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.097 11.692 12.411 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.569 11.284 10.842 1.00 0.00 H new ATOM 831 N GLU A 56 3.443 13.029 12.037 1.00 0.00 N ATOM 832 CA GLU A 56 4.515 13.631 12.821 1.00 0.00 C ATOM 833 C GLU A 56 5.775 12.772 12.769 1.00 0.00 C ATOM 834 O GLU A 56 6.838 13.179 13.240 1.00 0.00 O ATOM 835 CB GLU A 56 4.070 13.816 14.274 1.00 0.00 C ATOM 836 CG GLU A 56 3.548 12.542 14.919 1.00 0.00 C ATOM 837 CD GLU A 56 3.562 12.607 16.433 1.00 0.00 C ATOM 838 OE1 GLU A 56 4.656 12.474 17.022 1.00 0.00 O ATOM 839 OE2 GLU A 56 2.482 12.790 17.031 1.00 0.00 O ATOM 0 H GLU A 56 2.841 12.395 12.562 1.00 0.00 H new ATOM 0 HA GLU A 56 4.743 14.606 12.391 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.911 14.190 14.858 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.291 14.578 14.312 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.530 12.357 14.576 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.154 11.698 14.590 1.00 0.00 H new ATOM 846 N LEU A 57 5.648 11.581 12.195 1.00 0.00 N ATOM 847 CA LEU A 57 6.777 10.663 12.081 1.00 0.00 C ATOM 848 C LEU A 57 7.428 10.769 10.705 1.00 0.00 C ATOM 849 O LEU A 57 8.616 10.489 10.549 1.00 0.00 O ATOM 850 CB LEU A 57 6.317 9.225 12.331 1.00 0.00 C ATOM 851 CG LEU A 57 5.708 8.945 13.704 1.00 0.00 C ATOM 852 CD1 LEU A 57 5.029 7.584 13.719 1.00 0.00 C ATOM 853 CD2 LEU A 57 6.776 9.022 14.787 1.00 0.00 C ATOM 0 H LEU A 57 4.776 11.228 11.801 1.00 0.00 H new ATOM 0 HA LEU A 57 7.515 10.938 12.834 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.583 8.962 11.570 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.171 8.562 12.193 1.00 0.00 H new ATOM 0 HG LEU A 57 4.955 9.706 13.909 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.601 7.402 14.705 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.237 7.564 12.970 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.762 6.809 13.493 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.324 8.820 15.758 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.551 8.283 14.586 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.218 10.019 14.792 1.00 0.00 H new ATOM 865 N GLN A 58 6.642 11.176 9.714 1.00 0.00 N ATOM 866 CA GLN A 58 7.143 11.320 8.352 1.00 0.00 C ATOM 867 C GLN A 58 7.699 9.998 7.834 1.00 0.00 C ATOM 868 O GLN A 58 8.696 9.972 7.113 1.00 0.00 O ATOM 869 CB GLN A 58 8.228 12.398 8.297 1.00 0.00 C ATOM 870 CG GLN A 58 7.753 13.761 8.774 1.00 0.00 C ATOM 871 CD GLN A 58 8.806 14.838 8.599 1.00 0.00 C ATOM 872 OE1 GLN A 58 9.873 14.594 8.036 1.00 0.00 O ATOM 873 NE2 GLN A 58 8.509 16.040 9.082 1.00 0.00 N ATOM 0 H GLN A 58 5.656 11.412 9.828 1.00 0.00 H new ATOM 0 HA GLN A 58 6.310 11.618 7.715 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.074 12.083 8.908 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.590 12.486 7.273 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.855 14.042 8.223 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.475 13.697 9.826 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.612 16.198 9.542 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.178 16.805 8.993 1.00 0.00 H new ATOM 882 N SER A 59 7.046 8.901 8.205 1.00 0.00 N ATOM 883 CA SER A 59 7.476 7.574 7.780 1.00 0.00 C ATOM 884 C SER A 59 6.791 7.171 6.479 1.00 0.00 C ATOM 885 O SER A 59 5.597 7.410 6.293 1.00 0.00 O ATOM 886 CB SER A 59 7.175 6.543 8.871 1.00 0.00 C ATOM 887 OG SER A 59 7.963 5.378 8.703 1.00 0.00 O ATOM 0 H SER A 59 6.217 8.905 8.799 1.00 0.00 H new ATOM 0 HA SER A 59 8.552 7.606 7.608 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.369 6.979 9.851 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.118 6.278 8.844 1.00 0.00 H new ATOM 0 HG SER A 59 7.753 4.736 9.413 1.00 0.00 H new ATOM 893 N ASP A 60 7.553 6.556 5.582 1.00 0.00 N ATOM 894 CA ASP A 60 7.020 6.118 4.297 1.00 0.00 C ATOM 895 C ASP A 60 6.877 4.600 4.258 1.00 0.00 C ATOM 896 O ASP A 60 6.824 3.999 3.185 1.00 0.00 O ATOM 897 CB ASP A 60 7.927 6.586 3.158 1.00 0.00 C ATOM 898 CG ASP A 60 8.303 8.049 3.282 1.00 0.00 C ATOM 899 OD1 ASP A 60 9.209 8.363 4.084 1.00 0.00 O ATOM 900 OD2 ASP A 60 7.695 8.880 2.576 1.00 0.00 O ATOM 0 H ASP A 60 8.542 6.349 5.721 1.00 0.00 H new ATOM 0 HA ASP A 60 6.033 6.562 4.171 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.833 5.981 3.147 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.423 6.423 2.205 1.00 0.00 H new ATOM 905 N ILE A 61 6.814 3.986 5.435 1.00 0.00 N ATOM 906 CA ILE A 61 6.677 2.539 5.535 1.00 0.00 C ATOM 907 C ILE A 61 5.449 2.158 6.355 1.00 0.00 C ATOM 908 O ILE A 61 5.363 2.469 7.543 1.00 0.00 O ATOM 909 CB ILE A 61 7.924 1.897 6.172 1.00 0.00 C ATOM 910 CG1 ILE A 61 9.190 2.620 5.707 1.00 0.00 C ATOM 911 CG2 ILE A 61 7.994 0.417 5.825 1.00 0.00 C ATOM 912 CD1 ILE A 61 9.547 2.344 4.263 1.00 0.00 C ATOM 0 H ILE A 61 6.856 4.469 6.333 1.00 0.00 H new ATOM 0 HA ILE A 61 6.564 2.163 4.518 1.00 0.00 H new ATOM 0 HB ILE A 61 7.851 1.992 7.255 1.00 0.00 H new ATOM 0 HG12 ILE A 61 9.056 3.693 5.841 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.024 2.321 6.343 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.881 -0.022 6.282 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.104 -0.087 6.201 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.048 0.299 4.743 1.00 0.00 H new ATOM 0 HD11 ILE A 61 10.454 2.889 4.002 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.713 1.275 4.127 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.731 2.669 3.618 1.00 0.00 H new ATOM 924 N ILE A 62 4.502 1.483 5.713 1.00 0.00 N ATOM 925 CA ILE A 62 3.279 1.057 6.384 1.00 0.00 C ATOM 926 C ILE A 62 3.444 -0.327 7.000 1.00 0.00 C ATOM 927 O ILE A 62 4.008 -1.230 6.382 1.00 0.00 O ATOM 928 CB ILE A 62 2.083 1.036 5.414 1.00 0.00 C ATOM 929 CG1 ILE A 62 1.629 2.464 5.098 1.00 0.00 C ATOM 930 CG2 ILE A 62 0.937 0.230 6.004 1.00 0.00 C ATOM 931 CD1 ILE A 62 0.602 2.540 3.991 1.00 0.00 C ATOM 0 H ILE A 62 4.557 1.219 4.729 1.00 0.00 H new ATOM 0 HA ILE A 62 3.083 1.782 7.174 1.00 0.00 H new ATOM 0 HB ILE A 62 2.396 0.560 4.485 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.213 2.912 6.000 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.498 3.059 4.818 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.099 0.225 5.307 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.266 -0.793 6.183 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.622 0.680 6.946 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.327 3.581 3.821 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.022 2.122 3.076 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.284 1.972 4.277 1.00 0.00 H new ATOM 943 N ALA A 63 2.945 -0.489 8.221 1.00 0.00 N ATOM 944 CA ALA A 63 3.033 -1.766 8.919 1.00 0.00 C ATOM 945 C ALA A 63 1.726 -2.543 8.809 1.00 0.00 C ATOM 946 O ALA A 63 0.656 -2.027 9.134 1.00 0.00 O ATOM 947 CB ALA A 63 3.396 -1.544 10.380 1.00 0.00 C ATOM 0 H ALA A 63 2.476 0.248 8.747 1.00 0.00 H new ATOM 0 HA ALA A 63 3.817 -2.357 8.446 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.458 -2.506 10.890 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.359 -1.037 10.443 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.631 -0.930 10.856 1.00 0.00 H new ATOM 953 N ILE A 64 1.819 -3.787 8.349 1.00 0.00 N ATOM 954 CA ILE A 64 0.644 -4.634 8.197 1.00 0.00 C ATOM 955 C ILE A 64 0.755 -5.888 9.056 1.00 0.00 C ATOM 956 O ILE A 64 1.753 -6.608 8.999 1.00 0.00 O ATOM 957 CB ILE A 64 0.435 -5.049 6.728 1.00 0.00 C ATOM 958 CG1 ILE A 64 0.443 -3.817 5.821 1.00 0.00 C ATOM 959 CG2 ILE A 64 -0.869 -5.818 6.574 1.00 0.00 C ATOM 960 CD1 ILE A 64 0.380 -4.151 4.347 1.00 0.00 C ATOM 0 H ILE A 64 2.696 -4.230 8.075 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.213 -4.046 8.526 1.00 0.00 H new ATOM 0 HB ILE A 64 1.256 -5.702 6.431 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.405 -3.181 6.078 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.346 -3.238 6.016 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.002 -6.104 5.531 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.839 -6.714 7.195 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.702 -5.188 6.886 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.389 -3.230 3.764 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.241 -4.761 4.075 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.536 -4.703 4.138 1.00 0.00 H new ATOM 972 N THR A 65 -0.277 -6.147 9.853 1.00 0.00 N ATOM 973 CA THR A 65 -0.296 -7.315 10.724 1.00 0.00 C ATOM 974 C THR A 65 -1.219 -8.397 10.174 1.00 0.00 C ATOM 975 O THR A 65 -2.278 -8.101 9.623 1.00 0.00 O ATOM 976 CB THR A 65 -0.749 -6.946 12.149 1.00 0.00 C ATOM 977 OG1 THR A 65 0.057 -5.876 12.657 1.00 0.00 O ATOM 978 CG2 THR A 65 -0.649 -8.147 13.077 1.00 0.00 C ATOM 0 H THR A 65 -1.111 -5.563 9.913 1.00 0.00 H new ATOM 0 HA THR A 65 0.724 -7.697 10.762 1.00 0.00 H new ATOM 0 HB THR A 65 -1.790 -6.627 12.104 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.951 -6.214 12.874 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.974 -7.862 14.078 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.285 -8.949 12.704 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.384 -8.492 13.116 1.00 0.00 H new ATOM 986 N GLY A 66 -0.811 -9.653 10.331 1.00 0.00 N ATOM 987 CA GLY A 66 -1.614 -10.759 9.844 1.00 0.00 C ATOM 988 C GLY A 66 -0.798 -12.020 9.634 1.00 0.00 C ATOM 989 O GLY A 66 0.433 -11.987 9.685 1.00 0.00 O ATOM 0 H GLY A 66 0.061 -9.924 10.786 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.415 -10.963 10.554 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.086 -10.475 8.904 1.00 0.00 H new ATOM 993 N LEU A 67 -1.482 -13.134 9.399 1.00 0.00 N ATOM 994 CA LEU A 67 -0.813 -14.412 9.182 1.00 0.00 C ATOM 995 C LEU A 67 0.059 -14.365 7.931 1.00 0.00 C ATOM 996 O LEU A 67 -0.340 -13.814 6.905 1.00 0.00 O ATOM 997 CB LEU A 67 -1.844 -15.534 9.057 1.00 0.00 C ATOM 998 CG LEU A 67 -2.529 -15.963 10.355 1.00 0.00 C ATOM 999 CD1 LEU A 67 -3.577 -17.030 10.077 1.00 0.00 C ATOM 1000 CD2 LEU A 67 -1.503 -16.470 11.358 1.00 0.00 C ATOM 0 H LEU A 67 -2.500 -13.178 9.354 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.172 -14.609 10.041 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.612 -15.217 8.352 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.353 -16.405 8.624 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.028 -15.094 10.784 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.054 -17.323 11.012 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.329 -16.633 9.395 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.100 -17.899 9.625 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.009 -16.771 12.275 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.975 -17.326 10.937 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.789 -15.677 11.581 1.00 0.00 H new ATOM 1012 N ALA A 68 1.250 -14.946 8.024 1.00 0.00 N ATOM 1013 CA ALA A 68 2.176 -14.974 6.898 1.00 0.00 C ATOM 1014 C ALA A 68 1.432 -15.146 5.579 1.00 0.00 C ATOM 1015 O ALA A 68 1.816 -14.575 4.559 1.00 0.00 O ATOM 1016 CB ALA A 68 3.194 -16.090 7.080 1.00 0.00 C ATOM 0 H ALA A 68 1.597 -15.404 8.867 1.00 0.00 H new ATOM 0 HA ALA A 68 2.700 -14.019 6.867 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.879 -16.099 6.232 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.756 -15.923 7.999 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.677 -17.048 7.139 1.00 0.00 H new ATOM 1022 N ALA A 69 0.364 -15.937 5.605 1.00 0.00 N ATOM 1023 CA ALA A 69 -0.435 -16.183 4.411 1.00 0.00 C ATOM 1024 C ALA A 69 -1.208 -14.934 4.001 1.00 0.00 C ATOM 1025 O ALA A 69 -1.187 -14.534 2.838 1.00 0.00 O ATOM 1026 CB ALA A 69 -1.391 -17.344 4.646 1.00 0.00 C ATOM 0 H ALA A 69 0.032 -16.419 6.441 1.00 0.00 H new ATOM 0 HA ALA A 69 0.242 -16.443 3.598 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.982 -17.517 3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.821 -18.242 4.884 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.056 -17.106 5.476 1.00 0.00 H new ATOM 1032 N ASN A 70 -1.889 -14.322 4.965 1.00 0.00 N ATOM 1033 CA ASN A 70 -2.669 -13.118 4.702 1.00 0.00 C ATOM 1034 C ASN A 70 -1.762 -11.958 4.303 1.00 0.00 C ATOM 1035 O ASN A 70 -2.046 -11.233 3.348 1.00 0.00 O ATOM 1036 CB ASN A 70 -3.489 -12.738 5.937 1.00 0.00 C ATOM 1037 CG ASN A 70 -4.148 -13.939 6.585 1.00 0.00 C ATOM 1038 OD1 ASN A 70 -4.152 -15.036 6.026 1.00 0.00 O ATOM 1039 ND2 ASN A 70 -4.709 -13.737 7.771 1.00 0.00 N ATOM 0 H ASN A 70 -1.916 -14.640 5.934 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.346 -13.327 3.874 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -2.841 -12.247 6.663 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.255 -12.016 5.653 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.167 -14.508 8.256 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.682 -12.811 8.197 1.00 0.00 H new ATOM 1046 N LEU A 71 -0.670 -11.788 5.039 1.00 0.00 N ATOM 1047 CA LEU A 71 0.280 -10.716 4.762 1.00 0.00 C ATOM 1048 C LEU A 71 0.675 -10.706 3.289 1.00 0.00 C ATOM 1049 O LEU A 71 0.881 -9.644 2.699 1.00 0.00 O ATOM 1050 CB LEU A 71 1.527 -10.875 5.635 1.00 0.00 C ATOM 1051 CG LEU A 71 1.282 -11.000 7.139 1.00 0.00 C ATOM 1052 CD1 LEU A 71 2.533 -11.499 7.844 1.00 0.00 C ATOM 1053 CD2 LEU A 71 0.837 -9.665 7.719 1.00 0.00 C ATOM 0 H LEU A 71 -0.420 -12.378 5.832 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.202 -9.767 4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.070 -11.759 5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.178 -10.018 5.463 1.00 0.00 H new ATOM 0 HG LEU A 71 0.486 -11.727 7.299 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.339 -11.582 8.913 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.808 -12.477 7.448 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.350 -10.797 7.676 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.667 -9.772 8.790 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.612 -8.917 7.547 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.087 -9.348 7.235 1.00 0.00 H new ATOM 1065 N ASP A 72 0.777 -11.892 2.701 1.00 0.00 N ATOM 1066 CA ASP A 72 1.143 -12.020 1.295 1.00 0.00 C ATOM 1067 C ASP A 72 0.071 -11.411 0.397 1.00 0.00 C ATOM 1068 O ASP A 72 0.368 -10.592 -0.473 1.00 0.00 O ATOM 1069 CB ASP A 72 1.356 -13.490 0.933 1.00 0.00 C ATOM 1070 CG ASP A 72 2.790 -13.936 1.139 1.00 0.00 C ATOM 1071 OD1 ASP A 72 3.673 -13.458 0.397 1.00 0.00 O ATOM 1072 OD2 ASP A 72 3.030 -14.764 2.044 1.00 0.00 O ATOM 0 H ASP A 72 0.611 -12.779 3.176 1.00 0.00 H new ATOM 0 HA ASP A 72 2.075 -11.477 1.137 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.695 -14.110 1.539 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.075 -13.649 -0.108 1.00 0.00 H new ATOM 1077 N ARG A 73 -1.175 -11.820 0.611 1.00 0.00 N ATOM 1078 CA ARG A 73 -2.291 -11.317 -0.180 1.00 0.00 C ATOM 1079 C ARG A 73 -2.430 -9.805 -0.024 1.00 0.00 C ATOM 1080 O ARG A 73 -2.386 -9.064 -1.006 1.00 0.00 O ATOM 1081 CB ARG A 73 -3.592 -12.005 0.238 1.00 0.00 C ATOM 1082 CG ARG A 73 -3.394 -13.423 0.748 1.00 0.00 C ATOM 1083 CD ARG A 73 -4.611 -14.291 0.470 1.00 0.00 C ATOM 1084 NE ARG A 73 -4.406 -15.673 0.893 1.00 0.00 N ATOM 1085 CZ ARG A 73 -5.326 -16.624 0.766 1.00 0.00 C ATOM 1086 NH1 ARG A 73 -6.506 -16.343 0.231 1.00 0.00 N ATOM 1087 NH2 ARG A 73 -5.065 -17.860 1.174 1.00 0.00 N ATOM 0 H ARG A 73 -1.437 -12.499 1.326 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.090 -11.540 -1.228 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.073 -11.412 1.016 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.272 -12.026 -0.614 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.517 -13.862 0.273 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.199 -13.401 1.820 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.477 -13.878 0.988 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.837 -14.268 -0.596 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.508 -15.922 1.308 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.710 -15.395 -0.085 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.210 -17.075 0.135 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.158 -18.080 1.585 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.771 -18.589 1.076 1.00 0.00 H new ATOM 1101 N ALA A 74 -2.600 -9.356 1.215 1.00 0.00 N ATOM 1102 CA ALA A 74 -2.744 -7.933 1.499 1.00 0.00 C ATOM 1103 C ALA A 74 -1.566 -7.140 0.943 1.00 0.00 C ATOM 1104 O ALA A 74 -1.736 -6.270 0.090 1.00 0.00 O ATOM 1105 CB ALA A 74 -2.877 -7.705 2.997 1.00 0.00 C ATOM 0 H ALA A 74 -2.641 -9.957 2.038 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.650 -7.579 1.007 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.984 -6.638 3.195 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.755 -8.233 3.369 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.987 -8.080 3.503 1.00 0.00 H new ATOM 1111 N LYS A 75 -0.369 -7.447 1.433 1.00 0.00 N ATOM 1112 CA LYS A 75 0.839 -6.763 0.985 1.00 0.00 C ATOM 1113 C LYS A 75 0.875 -6.662 -0.536 1.00 0.00 C ATOM 1114 O LYS A 75 1.224 -5.620 -1.089 1.00 0.00 O ATOM 1115 CB LYS A 75 2.083 -7.501 1.487 1.00 0.00 C ATOM 1116 CG LYS A 75 3.367 -6.707 1.325 1.00 0.00 C ATOM 1117 CD LYS A 75 4.592 -7.594 1.474 1.00 0.00 C ATOM 1118 CE LYS A 75 5.775 -7.047 0.690 1.00 0.00 C ATOM 1119 NZ LYS A 75 6.947 -7.964 0.742 1.00 0.00 N ATOM 0 H LYS A 75 -0.210 -8.165 2.140 1.00 0.00 H new ATOM 0 HA LYS A 75 0.830 -5.754 1.398 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.949 -7.748 2.540 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.178 -8.444 0.948 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.379 -6.229 0.345 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.400 -5.911 2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.858 -7.674 2.528 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.358 -8.600 1.127 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.482 -6.891 -0.348 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.057 -6.074 1.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.732 -7.555 0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.243 -8.093 1.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.685 -8.885 0.336 1.00 0.00 H new ATOM 1133 N ALA A 76 0.509 -7.749 -1.206 1.00 0.00 N ATOM 1134 CA ALA A 76 0.497 -7.781 -2.664 1.00 0.00 C ATOM 1135 C ALA A 76 -0.535 -6.808 -3.224 1.00 0.00 C ATOM 1136 O ALA A 76 -0.356 -6.256 -4.309 1.00 0.00 O ATOM 1137 CB ALA A 76 0.218 -9.192 -3.158 1.00 0.00 C ATOM 0 H ALA A 76 0.217 -8.620 -0.763 1.00 0.00 H new ATOM 0 HA ALA A 76 1.480 -7.472 -3.019 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.212 -9.201 -4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.994 -9.865 -2.794 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.752 -9.522 -2.787 1.00 0.00 H new ATOM 1143 N GLY A 77 -1.616 -6.603 -2.477 1.00 0.00 N ATOM 1144 CA GLY A 77 -2.661 -5.697 -2.917 1.00 0.00 C ATOM 1145 C GLY A 77 -2.255 -4.242 -2.796 1.00 0.00 C ATOM 1146 O GLY A 77 -2.484 -3.447 -3.709 1.00 0.00 O ATOM 0 H GLY A 77 -1.786 -7.048 -1.575 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.914 -5.915 -3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.561 -5.870 -2.326 1.00 0.00 H new ATOM 1150 N LEU A 78 -1.652 -3.890 -1.665 1.00 0.00 N ATOM 1151 CA LEU A 78 -1.216 -2.518 -1.426 1.00 0.00 C ATOM 1152 C LEU A 78 -0.141 -2.107 -2.427 1.00 0.00 C ATOM 1153 O LEU A 78 -0.258 -1.077 -3.092 1.00 0.00 O ATOM 1154 CB LEU A 78 -0.682 -2.374 0.000 1.00 0.00 C ATOM 1155 CG LEU A 78 -0.727 -0.965 0.595 1.00 0.00 C ATOM 1156 CD1 LEU A 78 -2.164 -0.550 0.874 1.00 0.00 C ATOM 1157 CD2 LEU A 78 0.108 -0.895 1.865 1.00 0.00 C ATOM 0 H LEU A 78 -1.454 -4.535 -0.900 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.076 -1.861 -1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.252 -3.039 0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.351 -2.721 0.016 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.304 -0.270 -0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.177 0.455 1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.733 -0.560 -0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.613 -1.247 1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.064 0.114 2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.284 -1.601 2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.143 -1.148 1.635 1.00 0.00 H new ATOM 1169 N LEU A 79 0.905 -2.919 -2.532 1.00 0.00 N ATOM 1170 CA LEU A 79 2.000 -2.641 -3.454 1.00 0.00 C ATOM 1171 C LEU A 79 1.469 -2.231 -4.824 1.00 0.00 C ATOM 1172 O LEU A 79 1.883 -1.215 -5.381 1.00 0.00 O ATOM 1173 CB LEU A 79 2.901 -3.870 -3.592 1.00 0.00 C ATOM 1174 CG LEU A 79 3.772 -4.202 -2.380 1.00 0.00 C ATOM 1175 CD1 LEU A 79 4.392 -5.583 -2.530 1.00 0.00 C ATOM 1176 CD2 LEU A 79 4.854 -3.148 -2.195 1.00 0.00 C ATOM 0 H LEU A 79 1.018 -3.776 -1.990 1.00 0.00 H new ATOM 0 HA LEU A 79 2.582 -1.814 -3.048 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.273 -4.734 -3.811 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.553 -3.723 -4.453 1.00 0.00 H new ATOM 0 HG LEU A 79 3.139 -4.204 -1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.008 -5.802 -1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.602 -6.329 -2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.010 -5.609 -3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.464 -3.401 -1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.484 -3.113 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.390 -2.174 -2.041 1.00 0.00 H new ATOM 1188 N GLU A 80 0.547 -3.026 -5.357 1.00 0.00 N ATOM 1189 CA GLU A 80 -0.043 -2.743 -6.661 1.00 0.00 C ATOM 1190 C GLU A 80 -0.844 -1.445 -6.625 1.00 0.00 C ATOM 1191 O GLU A 80 -0.798 -0.649 -7.563 1.00 0.00 O ATOM 1192 CB GLU A 80 -0.943 -3.901 -7.100 1.00 0.00 C ATOM 1193 CG GLU A 80 -0.185 -5.053 -7.738 1.00 0.00 C ATOM 1194 CD GLU A 80 -1.050 -5.866 -8.682 1.00 0.00 C ATOM 1195 OE1 GLU A 80 -1.609 -5.279 -9.631 1.00 0.00 O ATOM 1196 OE2 GLU A 80 -1.164 -7.092 -8.471 1.00 0.00 O ATOM 0 H GLU A 80 0.192 -3.870 -4.907 1.00 0.00 H new ATOM 0 HA GLU A 80 0.767 -2.629 -7.382 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.491 -4.273 -6.234 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.682 -3.527 -7.808 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.673 -4.661 -8.284 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.205 -5.704 -6.956 1.00 0.00 H new ATOM 1203 N ARG A 81 -1.580 -1.240 -5.537 1.00 0.00 N ATOM 1204 CA ARG A 81 -2.394 -0.041 -5.380 1.00 0.00 C ATOM 1205 C ARG A 81 -1.519 1.209 -5.345 1.00 0.00 C ATOM 1206 O ARG A 81 -1.899 2.260 -5.859 1.00 0.00 O ATOM 1207 CB ARG A 81 -3.227 -0.129 -4.100 1.00 0.00 C ATOM 1208 CG ARG A 81 -4.541 0.632 -4.176 1.00 0.00 C ATOM 1209 CD ARG A 81 -5.654 -0.234 -4.743 1.00 0.00 C ATOM 1210 NE ARG A 81 -6.906 0.505 -4.881 1.00 0.00 N ATOM 1211 CZ ARG A 81 -7.683 0.833 -3.855 1.00 0.00 C ATOM 1212 NH1 ARG A 81 -7.338 0.489 -2.622 1.00 0.00 N ATOM 1213 NH2 ARG A 81 -8.807 1.507 -4.061 1.00 0.00 N ATOM 0 H ARG A 81 -1.629 -1.889 -4.752 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.063 0.029 -6.237 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.435 -1.177 -3.883 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.640 0.258 -3.267 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.820 0.979 -3.181 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.414 1.518 -4.799 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.352 -0.621 -5.716 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.811 -1.095 -4.093 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.200 0.785 -5.817 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.474 -0.029 -2.460 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.936 0.742 -1.836 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.075 1.774 -5.008 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.403 1.758 -3.272 1.00 0.00 H new ATOM 1227 N VAL A 82 -0.344 1.086 -4.734 1.00 0.00 N ATOM 1228 CA VAL A 82 0.585 2.205 -4.633 1.00 0.00 C ATOM 1229 C VAL A 82 1.188 2.544 -5.990 1.00 0.00 C ATOM 1230 O VAL A 82 1.189 3.701 -6.411 1.00 0.00 O ATOM 1231 CB VAL A 82 1.723 1.900 -3.639 1.00 0.00 C ATOM 1232 CG1 VAL A 82 2.765 3.008 -3.666 1.00 0.00 C ATOM 1233 CG2 VAL A 82 1.168 1.712 -2.236 1.00 0.00 C ATOM 0 H VAL A 82 -0.014 0.223 -4.302 1.00 0.00 H new ATOM 0 HA VAL A 82 0.013 3.059 -4.270 1.00 0.00 H new ATOM 0 HB VAL A 82 2.207 0.971 -3.940 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.561 2.776 -2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.184 3.089 -4.669 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.298 3.953 -3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.985 1.497 -1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.658 2.622 -1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.463 0.881 -2.232 1.00 0.00 H new ATOM 1243 N LYS A 83 1.700 1.528 -6.675 1.00 0.00 N ATOM 1244 CA LYS A 83 2.305 1.715 -7.989 1.00 0.00 C ATOM 1245 C LYS A 83 1.323 2.378 -8.950 1.00 0.00 C ATOM 1246 O LYS A 83 1.719 3.157 -9.815 1.00 0.00 O ATOM 1247 CB LYS A 83 2.765 0.372 -8.558 1.00 0.00 C ATOM 1248 CG LYS A 83 3.864 -0.289 -7.745 1.00 0.00 C ATOM 1249 CD LYS A 83 3.855 -1.799 -7.917 1.00 0.00 C ATOM 1250 CE LYS A 83 5.132 -2.430 -7.384 1.00 0.00 C ATOM 1251 NZ LYS A 83 6.206 -2.463 -8.415 1.00 0.00 N ATOM 0 H LYS A 83 1.708 0.564 -6.342 1.00 0.00 H new ATOM 0 HA LYS A 83 3.170 2.368 -7.874 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.910 -0.302 -8.613 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.119 0.521 -9.578 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.832 0.107 -8.051 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.737 -0.041 -6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.995 -2.220 -7.396 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.740 -2.045 -8.973 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.479 -1.870 -6.516 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.922 -3.445 -7.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.060 -2.900 -8.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.885 -3.019 -9.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.425 -1.493 -8.720 1.00 0.00 H new ATOM 1265 N GLU A 84 0.042 2.062 -8.790 1.00 0.00 N ATOM 1266 CA GLU A 84 -0.996 2.628 -9.645 1.00 0.00 C ATOM 1267 C GLU A 84 -1.372 4.033 -9.186 1.00 0.00 C ATOM 1268 O GLU A 84 -1.381 4.977 -9.978 1.00 0.00 O ATOM 1269 CB GLU A 84 -2.235 1.730 -9.644 1.00 0.00 C ATOM 1270 CG GLU A 84 -3.384 2.277 -10.474 1.00 0.00 C ATOM 1271 CD GLU A 84 -3.156 2.115 -11.965 1.00 0.00 C ATOM 1272 OE1 GLU A 84 -2.541 3.015 -12.573 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -3.591 1.086 -12.523 1.00 0.00 O ATOM 0 H GLU A 84 -0.302 1.418 -8.078 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.602 2.689 -10.659 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.960 0.746 -10.023 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.573 1.593 -8.617 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.305 1.766 -10.194 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.523 3.333 -10.244 1.00 0.00 H new ATOM 1280 N LEU A 85 -1.683 4.165 -7.901 1.00 0.00 N ATOM 1281 CA LEU A 85 -2.062 5.455 -7.334 1.00 0.00 C ATOM 1282 C LEU A 85 -1.032 6.526 -7.682 1.00 0.00 C ATOM 1283 O LEU A 85 -1.383 7.678 -7.935 1.00 0.00 O ATOM 1284 CB LEU A 85 -2.205 5.345 -5.815 1.00 0.00 C ATOM 1285 CG LEU A 85 -3.459 4.630 -5.309 1.00 0.00 C ATOM 1286 CD1 LEU A 85 -3.238 4.097 -3.902 1.00 0.00 C ATOM 1287 CD2 LEU A 85 -4.658 5.565 -5.346 1.00 0.00 C ATOM 0 H LEU A 85 -1.680 3.395 -7.232 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.021 5.745 -7.763 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.331 4.823 -5.425 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.190 6.351 -5.395 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.663 3.785 -5.967 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.141 3.592 -3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.407 3.392 -3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.008 4.925 -3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.541 5.039 -4.983 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.464 6.430 -4.712 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.829 5.897 -6.370 1.00 0.00 H new