USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 420 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 Single : A 21 THR OG1 : rot -160:sc= -1.07 USER MOD Single : A 22 GLN :FLIP amide:sc= -7.59! C(o=-14!,f=-7.6!) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -17:sc= -3.82! USER MOD Single : A 48 MET CE :methyl -151:sc= -0.332 (180deg=-1.53!) USER MOD Single : A 52 MET CE :methyl 155:sc= -0.0558 (180deg=-0.399) USER MOD Single : A 54 GLN : amide:sc= -0.198 K(o=-0.2,f=-2.2!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.446 X(o=-0.45,f=-0.25) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 158:sc=-0.000753 (180deg=-0.335) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -130:sc= -1.16 (180deg=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 215 N PRO A 18 12.682 -5.081 -2.004 1.00 0.00 N ATOM 216 CA PRO A 18 12.001 -4.159 -2.918 1.00 0.00 C ATOM 217 C PRO A 18 10.618 -3.755 -2.410 1.00 0.00 C ATOM 218 O PRO A 18 10.050 -4.415 -1.540 1.00 0.00 O ATOM 219 CB PRO A 18 11.880 -4.964 -4.214 1.00 0.00 C ATOM 220 CG PRO A 18 11.909 -6.388 -3.780 1.00 0.00 C ATOM 221 CD PRO A 18 12.809 -6.434 -2.576 1.00 0.00 C ATOM 0 HA PRO A 18 12.547 -3.223 -3.033 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.955 -4.730 -4.741 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.700 -4.741 -4.896 1.00 0.00 H new ATOM 0 HG2 PRO A 18 10.908 -6.741 -3.533 1.00 0.00 H new ATOM 0 HG3 PRO A 18 12.287 -7.031 -4.575 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.495 -7.201 -1.868 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.839 -6.659 -2.852 1.00 0.00 H new ATOM 229 N PRO A 19 10.060 -2.658 -2.948 1.00 0.00 N ATOM 230 CA PRO A 19 8.739 -2.162 -2.545 1.00 0.00 C ATOM 231 C PRO A 19 7.641 -3.205 -2.737 1.00 0.00 C ATOM 232 O PRO A 19 6.677 -3.250 -1.972 1.00 0.00 O ATOM 233 CB PRO A 19 8.500 -0.965 -3.473 1.00 0.00 C ATOM 234 CG PRO A 19 9.859 -0.551 -3.925 1.00 0.00 C ATOM 235 CD PRO A 19 10.672 -1.811 -3.988 1.00 0.00 C ATOM 0 HA PRO A 19 8.713 -1.908 -1.485 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.870 -1.241 -4.318 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.994 -0.154 -2.949 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.815 -0.065 -4.900 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.300 0.165 -3.231 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.617 -2.277 -4.972 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.726 -1.621 -3.784 1.00 0.00 H new ATOM 243 N GLU A 20 7.790 -4.038 -3.761 1.00 0.00 N ATOM 244 CA GLU A 20 6.806 -5.077 -4.052 1.00 0.00 C ATOM 245 C GLU A 20 6.802 -6.151 -2.968 1.00 0.00 C ATOM 246 O GLU A 20 5.744 -6.682 -2.604 1.00 0.00 O ATOM 247 CB GLU A 20 7.094 -5.712 -5.414 1.00 0.00 C ATOM 248 CG GLU A 20 8.549 -6.105 -5.606 1.00 0.00 C ATOM 249 CD GLU A 20 8.747 -7.057 -6.769 1.00 0.00 C ATOM 250 OE1 GLU A 20 8.040 -6.905 -7.788 1.00 0.00 O ATOM 251 OE2 GLU A 20 9.607 -7.955 -6.661 1.00 0.00 O ATOM 0 H GLU A 20 8.582 -4.015 -4.404 1.00 0.00 H new ATOM 0 HA GLU A 20 5.821 -4.610 -4.074 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.469 -6.597 -5.533 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.809 -5.012 -6.200 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.145 -5.207 -5.770 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.919 -6.571 -4.693 1.00 0.00 H new ATOM 258 N THR A 21 7.988 -6.468 -2.450 1.00 0.00 N ATOM 259 CA THR A 21 8.106 -7.480 -1.410 1.00 0.00 C ATOM 260 C THR A 21 7.364 -7.030 -0.168 1.00 0.00 C ATOM 261 O THR A 21 6.552 -7.769 0.387 1.00 0.00 O ATOM 262 CB THR A 21 9.579 -7.753 -1.087 1.00 0.00 C ATOM 263 OG1 THR A 21 10.224 -8.370 -2.187 1.00 0.00 O ATOM 264 CG2 THR A 21 9.775 -8.645 0.121 1.00 0.00 C ATOM 0 H THR A 21 8.871 -6.042 -2.732 1.00 0.00 H new ATOM 0 HA THR A 21 7.661 -8.408 -1.770 1.00 0.00 H new ATOM 0 HB THR A 21 10.013 -6.777 -0.868 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.039 -8.818 -1.879 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.841 -8.797 0.292 1.00 0.00 H new ATOM 0 HG22 THR A 21 9.330 -8.174 0.997 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.295 -9.608 -0.056 1.00 0.00 H new ATOM 272 N GLN A 22 7.604 -5.793 0.231 1.00 0.00 N ATOM 273 CA GLN A 22 6.902 -5.233 1.372 1.00 0.00 C ATOM 274 C GLN A 22 5.456 -5.042 0.994 1.00 0.00 C ATOM 275 O GLN A 22 4.552 -5.368 1.756 1.00 0.00 O ATOM 276 CB GLN A 22 7.471 -3.879 1.805 1.00 0.00 C ATOM 277 CG GLN A 22 6.507 -3.077 2.686 1.00 0.00 C ATOM 278 CD GLN A 22 5.440 -2.327 1.887 1.00 0.00 C ATOM 279 OE1 GLN A 22 4.175 -2.775 1.964 1.00 0.00 O flip ATOM 280 NE2 GLN A 22 5.746 -1.351 1.202 1.00 0.00 N flip ATOM 0 H GLN A 22 8.272 -5.163 -0.213 1.00 0.00 H new ATOM 0 HA GLN A 22 7.018 -5.925 2.206 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.402 -4.040 2.348 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.716 -3.294 0.918 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.018 -3.754 3.387 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.077 -2.362 3.279 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.716 -1.037 1.166 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.030 -0.856 0.671 1.00 0.00 H new ATOM 289 N ARG A 23 5.266 -4.465 -0.194 1.00 0.00 N ATOM 290 CA ARG A 23 3.951 -4.164 -0.718 1.00 0.00 C ATOM 291 C ARG A 23 2.876 -4.992 -0.038 1.00 0.00 C ATOM 292 O ARG A 23 2.323 -4.587 0.977 1.00 0.00 O ATOM 293 CB ARG A 23 3.915 -4.370 -2.234 1.00 0.00 C ATOM 294 CG ARG A 23 2.542 -4.138 -2.833 1.00 0.00 C ATOM 295 CD ARG A 23 2.036 -5.368 -3.571 1.00 0.00 C ATOM 296 NE ARG A 23 1.422 -5.025 -4.852 1.00 0.00 N ATOM 297 CZ ARG A 23 0.173 -4.587 -4.983 1.00 0.00 C ATOM 298 NH1 ARG A 23 -0.598 -4.424 -3.915 1.00 0.00 N ATOM 299 NH2 ARG A 23 -0.308 -4.306 -6.186 1.00 0.00 N ATOM 0 H ARG A 23 6.029 -4.196 -0.815 1.00 0.00 H new ATOM 0 HA ARG A 23 3.742 -3.116 -0.505 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.629 -3.693 -2.704 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.239 -5.385 -2.465 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.840 -3.873 -2.042 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.582 -3.292 -3.520 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.864 -6.056 -3.739 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.309 -5.890 -2.949 1.00 0.00 H new ATOM 0 HE ARG A 23 1.985 -5.128 -5.696 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.234 -4.635 -2.986 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.555 -4.088 -4.023 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.280 -4.426 -7.011 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.266 -3.970 -6.287 1.00 0.00 H new ATOM 313 N MET A 24 2.595 -6.159 -0.579 1.00 0.00 N ATOM 314 CA MET A 24 1.582 -7.013 0.011 1.00 0.00 C ATOM 315 C MET A 24 1.903 -7.325 1.471 1.00 0.00 C ATOM 316 O MET A 24 0.998 -7.464 2.291 1.00 0.00 O ATOM 317 CB MET A 24 1.430 -8.308 -0.791 1.00 0.00 C ATOM 318 CG MET A 24 0.116 -9.028 -0.540 1.00 0.00 C ATOM 319 SD MET A 24 -1.262 -8.293 -1.440 1.00 0.00 S ATOM 320 CE MET A 24 -1.450 -9.461 -2.785 1.00 0.00 C ATOM 0 H MET A 24 3.045 -6.535 -1.414 1.00 0.00 H new ATOM 0 HA MET A 24 0.635 -6.473 -0.019 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.512 -8.079 -1.854 1.00 0.00 H new ATOM 0 HB3 MET A 24 2.254 -8.977 -0.544 1.00 0.00 H new ATOM 0 HG2 MET A 24 0.218 -10.074 -0.830 1.00 0.00 H new ATOM 0 HG3 MET A 24 -0.103 -9.014 0.528 1.00 0.00 H new ATOM 0 HE1 MET A 24 -2.267 -9.142 -3.432 1.00 0.00 H new ATOM 0 HE2 MET A 24 -0.526 -9.504 -3.362 1.00 0.00 H new ATOM 0 HE3 MET A 24 -1.671 -10.449 -2.381 1.00 0.00 H new ATOM 330 N MET A 25 3.189 -7.464 1.792 1.00 0.00 N ATOM 331 CA MET A 25 3.592 -7.789 3.158 1.00 0.00 C ATOM 332 C MET A 25 3.072 -6.765 4.173 1.00 0.00 C ATOM 333 O MET A 25 2.436 -7.146 5.155 1.00 0.00 O ATOM 334 CB MET A 25 5.116 -7.881 3.249 1.00 0.00 C ATOM 335 CG MET A 25 5.656 -9.286 3.034 1.00 0.00 C ATOM 336 SD MET A 25 5.050 -10.458 4.262 1.00 0.00 S ATOM 337 CE MET A 25 5.263 -12.006 3.387 1.00 0.00 C ATOM 0 H MET A 25 3.961 -7.358 1.133 1.00 0.00 H new ATOM 0 HA MET A 25 3.149 -8.754 3.406 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.557 -7.214 2.508 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.435 -7.524 4.228 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.375 -9.631 2.039 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.745 -9.261 3.067 1.00 0.00 H new ATOM 0 HE1 MET A 25 4.931 -12.830 4.019 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.672 -11.990 2.471 1.00 0.00 H new ATOM 0 HE3 MET A 25 6.315 -12.141 3.138 1.00 0.00 H new ATOM 347 N LEU A 26 3.304 -5.468 3.937 1.00 0.00 N ATOM 348 CA LEU A 26 2.795 -4.456 4.864 1.00 0.00 C ATOM 349 C LEU A 26 1.283 -4.411 4.761 1.00 0.00 C ATOM 350 O LEU A 26 0.588 -4.493 5.765 1.00 0.00 O ATOM 351 CB LEU A 26 3.393 -3.073 4.602 1.00 0.00 C ATOM 352 CG LEU A 26 3.412 -2.136 5.811 1.00 0.00 C ATOM 353 CD1 LEU A 26 4.424 -2.613 6.839 1.00 0.00 C ATOM 354 CD2 LEU A 26 3.724 -0.712 5.374 1.00 0.00 C ATOM 0 H LEU A 26 3.824 -5.104 3.138 1.00 0.00 H new ATOM 0 HA LEU A 26 3.094 -4.737 5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.414 -3.198 4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.829 -2.596 3.801 1.00 0.00 H new ATOM 0 HG LEU A 26 2.424 -2.147 6.272 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.424 -1.934 7.692 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.158 -3.616 7.173 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.417 -2.631 6.390 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.734 -0.058 6.246 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.700 -0.686 4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.962 -0.371 4.673 1.00 0.00 H new ATOM 366 N GLY A 27 0.770 -4.328 3.528 1.00 0.00 N ATOM 367 CA GLY A 27 -0.641 -4.328 3.324 1.00 0.00 C ATOM 368 C GLY A 27 -1.263 -5.550 3.952 1.00 0.00 C ATOM 369 O GLY A 27 -2.395 -5.508 4.396 1.00 0.00 O ATOM 0 H GLY A 27 1.326 -4.261 2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.077 -3.427 3.756 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.861 -4.308 2.257 1.00 0.00 H new ATOM 373 N GLU A 28 -0.534 -6.637 4.048 1.00 0.00 N ATOM 374 CA GLU A 28 -1.099 -7.808 4.682 1.00 0.00 C ATOM 375 C GLU A 28 -1.572 -7.424 6.083 1.00 0.00 C ATOM 376 O GLU A 28 -2.702 -7.723 6.484 1.00 0.00 O ATOM 377 CB GLU A 28 -0.064 -8.935 4.757 1.00 0.00 C ATOM 378 CG GLU A 28 -0.495 -10.205 4.041 1.00 0.00 C ATOM 379 CD GLU A 28 -1.288 -11.136 4.936 1.00 0.00 C ATOM 380 OE1 GLU A 28 -1.827 -10.663 5.959 1.00 0.00 O ATOM 381 OE2 GLU A 28 -1.370 -12.340 4.615 1.00 0.00 O ATOM 0 H GLU A 28 0.422 -6.737 3.708 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.942 -8.170 4.094 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.874 -8.585 4.326 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.133 -9.167 5.804 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.098 -9.941 3.172 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.388 -10.727 3.671 1.00 0.00 H new ATOM 388 N ASN A 29 -0.709 -6.713 6.803 1.00 0.00 N ATOM 389 CA ASN A 29 -1.036 -6.266 8.156 1.00 0.00 C ATOM 390 C ASN A 29 -1.621 -4.858 8.167 1.00 0.00 C ATOM 391 O ASN A 29 -2.654 -4.606 8.790 1.00 0.00 O ATOM 392 CB ASN A 29 0.213 -6.315 9.040 1.00 0.00 C ATOM 393 CG ASN A 29 -0.122 -6.570 10.497 1.00 0.00 C ATOM 394 OD1 ASN A 29 -0.632 -7.632 10.853 1.00 0.00 O ATOM 395 ND2 ASN A 29 0.163 -5.591 11.349 1.00 0.00 N ATOM 0 H ASN A 29 0.216 -6.435 6.476 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.794 -6.943 8.550 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.879 -7.099 8.680 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.754 -5.373 8.953 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.041 -5.704 12.342 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.586 -4.727 11.010 1.00 0.00 H new ATOM 402 N LEU A 30 -0.951 -3.937 7.492 1.00 0.00 N ATOM 403 CA LEU A 30 -1.403 -2.558 7.450 1.00 0.00 C ATOM 404 C LEU A 30 -2.510 -2.335 6.412 1.00 0.00 C ATOM 405 O LEU A 30 -3.277 -1.391 6.546 1.00 0.00 O ATOM 406 CB LEU A 30 -0.223 -1.616 7.209 1.00 0.00 C ATOM 407 CG LEU A 30 0.337 -0.954 8.469 1.00 0.00 C ATOM 408 CD1 LEU A 30 1.748 -0.443 8.221 1.00 0.00 C ATOM 409 CD2 LEU A 30 -0.571 0.180 8.922 1.00 0.00 C ATOM 0 H LEU A 30 -0.095 -4.120 6.968 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.839 -2.331 8.423 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.577 -2.175 6.723 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.535 -0.836 6.514 1.00 0.00 H new ATOM 0 HG LEU A 30 0.377 -1.700 9.262 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.130 0.025 9.128 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.393 -1.276 7.943 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.733 0.289 7.414 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.158 0.640 9.820 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.643 0.927 8.131 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.564 -0.214 9.140 1.00 0.00 H new ATOM 421 N TYR A 31 -2.631 -3.199 5.395 1.00 0.00 N ATOM 422 CA TYR A 31 -3.701 -3.033 4.413 1.00 0.00 C ATOM 423 C TYR A 31 -5.022 -3.180 5.126 1.00 0.00 C ATOM 424 O TYR A 31 -5.865 -2.307 5.049 1.00 0.00 O ATOM 425 CB TYR A 31 -3.591 -4.022 3.234 1.00 0.00 C ATOM 426 CG TYR A 31 -4.873 -4.743 2.837 1.00 0.00 C ATOM 427 CD1 TYR A 31 -5.841 -4.122 2.065 1.00 0.00 C ATOM 428 CD2 TYR A 31 -5.103 -6.059 3.231 1.00 0.00 C ATOM 429 CE1 TYR A 31 -7.001 -4.780 1.701 1.00 0.00 C ATOM 430 CE2 TYR A 31 -6.257 -6.725 2.870 1.00 0.00 C ATOM 431 CZ TYR A 31 -7.204 -6.081 2.106 1.00 0.00 C ATOM 432 OH TYR A 31 -8.356 -6.740 1.744 1.00 0.00 O ATOM 0 H TYR A 31 -2.017 -3.998 5.236 1.00 0.00 H new ATOM 0 HA TYR A 31 -3.617 -2.041 3.970 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -3.221 -3.479 2.365 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.840 -4.772 3.485 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.686 -3.103 1.741 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.364 -6.569 3.831 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.745 -4.276 1.102 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.416 -7.746 3.185 1.00 0.00 H new ATOM 0 HH TYR A 31 -8.342 -7.649 2.110 1.00 0.00 H new ATOM 442 N PRO A 32 -5.217 -4.254 5.897 1.00 0.00 N ATOM 443 CA PRO A 32 -6.450 -4.404 6.635 1.00 0.00 C ATOM 444 C PRO A 32 -6.679 -3.199 7.536 1.00 0.00 C ATOM 445 O PRO A 32 -7.819 -2.809 7.786 1.00 0.00 O ATOM 446 CB PRO A 32 -6.235 -5.667 7.476 1.00 0.00 C ATOM 447 CG PRO A 32 -5.132 -6.399 6.798 1.00 0.00 C ATOM 448 CD PRO A 32 -4.274 -5.348 6.155 1.00 0.00 C ATOM 0 HA PRO A 32 -7.321 -4.478 5.984 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.969 -5.417 8.503 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -7.141 -6.271 7.519 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.558 -6.989 7.513 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.523 -7.093 6.054 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.463 -5.034 6.812 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.816 -5.710 5.234 1.00 0.00 H new ATOM 456 N LEU A 33 -5.583 -2.598 8.017 1.00 0.00 N ATOM 457 CA LEU A 33 -5.696 -1.432 8.873 1.00 0.00 C ATOM 458 C LEU A 33 -5.926 -0.188 8.054 1.00 0.00 C ATOM 459 O LEU A 33 -6.826 0.606 8.325 1.00 0.00 O ATOM 460 CB LEU A 33 -4.434 -1.275 9.725 1.00 0.00 C ATOM 461 CG LEU A 33 -4.479 -1.977 11.083 1.00 0.00 C ATOM 462 CD1 LEU A 33 -5.547 -1.355 11.970 1.00 0.00 C ATOM 463 CD2 LEU A 33 -4.734 -3.465 10.904 1.00 0.00 C ATOM 0 H LEU A 33 -4.628 -2.901 7.827 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.553 -1.574 9.532 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.584 -1.660 9.162 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.254 -0.212 9.888 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.512 -1.849 11.569 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.565 -1.867 12.932 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.322 -0.300 12.125 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.521 -1.452 11.490 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.763 -3.949 11.880 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.688 -3.612 10.397 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.934 -3.902 10.306 1.00 0.00 H new ATOM 475 N VAL A 34 -5.085 -0.035 7.038 1.00 0.00 N ATOM 476 CA VAL A 34 -5.172 1.098 6.160 1.00 0.00 C ATOM 477 C VAL A 34 -6.293 0.948 5.175 1.00 0.00 C ATOM 478 O VAL A 34 -7.118 1.847 5.035 1.00 0.00 O ATOM 479 CB VAL A 34 -3.849 1.397 5.483 1.00 0.00 C ATOM 480 CG1 VAL A 34 -3.906 2.803 4.919 1.00 0.00 C ATOM 481 CG2 VAL A 34 -2.720 1.266 6.503 1.00 0.00 C ATOM 0 H VAL A 34 -4.337 -0.690 6.811 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.405 1.966 6.777 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.662 0.693 4.672 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.962 3.036 4.427 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.718 2.872 4.196 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.079 3.513 5.728 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.767 1.480 6.020 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.881 1.973 7.317 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.705 0.251 6.901 1.00 0.00 H new ATOM 491 N ASP A 35 -6.354 -0.205 4.515 1.00 0.00 N ATOM 492 CA ASP A 35 -7.427 -0.457 3.580 1.00 0.00 C ATOM 493 C ASP A 35 -8.784 -0.012 4.165 1.00 0.00 C ATOM 494 O ASP A 35 -9.450 -0.759 4.880 1.00 0.00 O ATOM 495 CB ASP A 35 -7.440 -1.931 3.170 1.00 0.00 C ATOM 496 CG ASP A 35 -8.314 -2.819 4.044 1.00 0.00 C ATOM 497 OD1 ASP A 35 -8.219 -2.711 5.286 1.00 0.00 O ATOM 498 OD2 ASP A 35 -9.089 -3.623 3.487 1.00 0.00 O ATOM 0 H ASP A 35 -5.680 -0.965 4.613 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.255 0.136 2.682 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.784 -2.006 2.138 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.419 -2.311 3.194 1.00 0.00 H new ATOM 571 N ASP A 40 -11.849 -5.796 -1.869 1.00 0.00 N ATOM 572 CA ASP A 40 -12.076 -5.742 -3.308 1.00 0.00 C ATOM 573 C ASP A 40 -11.303 -4.568 -3.895 1.00 0.00 C ATOM 574 O ASP A 40 -10.457 -4.734 -4.773 1.00 0.00 O ATOM 575 CB ASP A 40 -13.566 -5.587 -3.596 1.00 0.00 C ATOM 576 CG ASP A 40 -14.225 -6.900 -3.971 1.00 0.00 C ATOM 577 OD1 ASP A 40 -13.529 -7.775 -4.529 1.00 0.00 O ATOM 578 OD2 ASP A 40 -15.436 -7.052 -3.709 1.00 0.00 O ATOM 0 HA ASP A 40 -11.728 -6.668 -3.766 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.061 -5.174 -2.718 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.704 -4.871 -4.406 1.00 0.00 H new ATOM 583 N GLN A 41 -11.594 -3.384 -3.372 1.00 0.00 N ATOM 584 CA GLN A 41 -10.929 -2.160 -3.796 1.00 0.00 C ATOM 585 C GLN A 41 -10.070 -1.609 -2.657 1.00 0.00 C ATOM 586 O GLN A 41 -9.188 -0.779 -2.871 1.00 0.00 O ATOM 587 CB GLN A 41 -11.959 -1.115 -4.229 1.00 0.00 C ATOM 588 CG GLN A 41 -13.031 -0.848 -3.185 1.00 0.00 C ATOM 589 CD GLN A 41 -14.434 -0.945 -3.752 1.00 0.00 C ATOM 590 OE1 GLN A 41 -15.018 -2.028 -3.816 1.00 0.00 O ATOM 591 NE2 GLN A 41 -14.981 0.190 -4.165 1.00 0.00 N ATOM 0 H GLN A 41 -12.295 -3.246 -2.644 1.00 0.00 H new ATOM 0 HA GLN A 41 -10.287 -2.389 -4.647 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.444 -0.182 -4.456 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -12.436 -1.448 -5.151 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -12.923 -1.562 -2.368 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -12.882 0.146 -2.762 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -14.459 1.064 -4.092 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -15.923 0.190 -4.555 1.00 0.00 H new ATOM 600 N ALA A 42 -10.341 -2.088 -1.441 1.00 0.00 N ATOM 601 CA ALA A 42 -9.609 -1.664 -0.256 1.00 0.00 C ATOM 602 C ALA A 42 -8.122 -1.951 -0.395 1.00 0.00 C ATOM 603 O ALA A 42 -7.279 -1.119 -0.058 1.00 0.00 O ATOM 604 CB ALA A 42 -10.166 -2.385 0.965 1.00 0.00 C ATOM 0 H ALA A 42 -11.070 -2.776 -1.255 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.733 -0.587 -0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -9.620 -2.070 1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.222 -2.140 1.082 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.055 -3.461 0.834 1.00 0.00 H new ATOM 610 N ALA A 43 -7.810 -3.139 -0.892 1.00 0.00 N ATOM 611 CA ALA A 43 -6.430 -3.556 -1.079 1.00 0.00 C ATOM 612 C ALA A 43 -5.797 -2.847 -2.265 1.00 0.00 C ATOM 613 O ALA A 43 -4.590 -2.604 -2.282 1.00 0.00 O ATOM 614 CB ALA A 43 -6.354 -5.064 -1.261 1.00 0.00 C ATOM 0 H ALA A 43 -8.500 -3.835 -1.174 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.871 -3.280 -0.185 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.315 -5.362 -1.400 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.758 -5.558 -0.377 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.935 -5.355 -2.136 1.00 0.00 H new ATOM 620 N LYS A 44 -6.609 -2.541 -3.267 1.00 0.00 N ATOM 621 CA LYS A 44 -6.107 -1.889 -4.464 1.00 0.00 C ATOM 622 C LYS A 44 -5.533 -0.506 -4.166 1.00 0.00 C ATOM 623 O LYS A 44 -4.428 -0.200 -4.586 1.00 0.00 O ATOM 624 CB LYS A 44 -7.223 -1.770 -5.504 1.00 0.00 C ATOM 625 CG LYS A 44 -7.755 -3.112 -5.982 1.00 0.00 C ATOM 626 CD LYS A 44 -7.317 -3.411 -7.407 1.00 0.00 C ATOM 627 CE LYS A 44 -8.034 -4.630 -7.965 1.00 0.00 C ATOM 628 NZ LYS A 44 -8.149 -4.576 -9.449 1.00 0.00 N ATOM 0 H LYS A 44 -7.611 -2.733 -3.274 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.299 -2.507 -4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.045 -1.193 -5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.851 -1.210 -6.362 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.402 -3.901 -5.319 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.844 -3.113 -5.927 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.519 -2.547 -8.040 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.240 -3.578 -7.430 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.495 -5.532 -7.675 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.029 -4.698 -7.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.644 -5.425 -9.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.685 -3.729 -9.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.199 -4.537 -9.870 1.00 0.00 H new ATOM 642 N VAL A 45 -6.269 0.339 -3.454 1.00 0.00 N ATOM 643 CA VAL A 45 -5.759 1.678 -3.155 1.00 0.00 C ATOM 644 C VAL A 45 -4.626 1.664 -2.133 1.00 0.00 C ATOM 645 O VAL A 45 -3.573 2.266 -2.350 1.00 0.00 O ATOM 646 CB VAL A 45 -6.863 2.614 -2.623 1.00 0.00 C ATOM 647 CG1 VAL A 45 -7.688 3.164 -3.766 1.00 0.00 C ATOM 648 CG2 VAL A 45 -7.750 1.912 -1.603 1.00 0.00 C ATOM 0 H VAL A 45 -7.196 0.133 -3.080 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.381 2.050 -4.107 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.377 3.446 -2.114 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.462 3.822 -3.372 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.044 3.726 -4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.153 2.341 -4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.516 2.603 -1.251 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.226 1.049 -2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.144 1.582 -0.760 1.00 0.00 H new ATOM 658 N THR A 46 -4.859 0.999 -1.003 1.00 0.00 N ATOM 659 CA THR A 46 -3.867 0.943 0.067 1.00 0.00 C ATOM 660 C THR A 46 -2.649 0.100 -0.293 1.00 0.00 C ATOM 661 O THR A 46 -1.508 0.527 -0.121 1.00 0.00 O ATOM 662 CB THR A 46 -4.537 0.387 1.343 1.00 0.00 C ATOM 663 OG1 THR A 46 -4.105 1.084 2.491 1.00 0.00 O ATOM 664 CG2 THR A 46 -4.294 -1.093 1.597 1.00 0.00 C ATOM 0 H THR A 46 -5.723 0.494 -0.806 1.00 0.00 H new ATOM 0 HA THR A 46 -3.503 1.957 0.233 1.00 0.00 H new ATOM 0 HB THR A 46 -5.602 0.528 1.160 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.289 1.585 2.282 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.802 -1.393 2.513 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.681 -1.674 0.760 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.224 -1.274 1.700 1.00 0.00 H new ATOM 672 N GLY A 47 -2.913 -1.115 -0.738 1.00 0.00 N ATOM 673 CA GLY A 47 -1.851 -2.042 -1.060 1.00 0.00 C ATOM 674 C GLY A 47 -1.121 -1.801 -2.381 1.00 0.00 C ATOM 675 O GLY A 47 0.048 -2.156 -2.500 1.00 0.00 O ATOM 0 H GLY A 47 -3.854 -1.480 -0.884 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.118 -2.016 -0.254 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.269 -3.049 -1.078 1.00 0.00 H new ATOM 679 N MET A 48 -1.785 -1.225 -3.388 1.00 0.00 N ATOM 680 CA MET A 48 -1.120 -0.995 -4.678 1.00 0.00 C ATOM 681 C MET A 48 0.002 0.018 -4.530 1.00 0.00 C ATOM 682 O MET A 48 1.121 -0.202 -4.994 1.00 0.00 O ATOM 683 CB MET A 48 -2.106 -0.505 -5.741 1.00 0.00 C ATOM 684 CG MET A 48 -2.962 -1.613 -6.338 1.00 0.00 C ATOM 685 SD MET A 48 -2.346 -2.180 -7.935 1.00 0.00 S ATOM 686 CE MET A 48 -2.391 -0.658 -8.876 1.00 0.00 C ATOM 0 H MET A 48 -2.756 -0.916 -3.341 1.00 0.00 H new ATOM 0 HA MET A 48 -0.708 -1.951 -5.001 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.758 0.248 -5.299 1.00 0.00 H new ATOM 0 HB3 MET A 48 -1.551 -0.016 -6.541 1.00 0.00 H new ATOM 0 HG2 MET A 48 -2.995 -2.454 -5.646 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.985 -1.255 -6.454 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.549 -0.886 -9.930 1.00 0.00 H new ATOM 0 HE2 MET A 48 -3.206 -0.031 -8.514 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.446 -0.129 -8.757 1.00 0.00 H new ATOM 696 N LEU A 49 -0.306 1.122 -3.870 1.00 0.00 N ATOM 697 CA LEU A 49 0.670 2.173 -3.636 1.00 0.00 C ATOM 698 C LEU A 49 1.824 1.664 -2.786 1.00 0.00 C ATOM 699 O LEU A 49 2.872 2.305 -2.697 1.00 0.00 O ATOM 700 CB LEU A 49 0.021 3.381 -2.966 1.00 0.00 C ATOM 701 CG LEU A 49 -0.711 4.342 -3.909 1.00 0.00 C ATOM 702 CD1 LEU A 49 0.118 4.616 -5.155 1.00 0.00 C ATOM 703 CD2 LEU A 49 -2.076 3.788 -4.292 1.00 0.00 C ATOM 0 H LEU A 49 -1.231 1.314 -3.485 1.00 0.00 H new ATOM 0 HA LEU A 49 1.062 2.482 -4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.687 3.023 -2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.792 3.938 -2.434 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.857 5.284 -3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.423 5.301 -5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.069 5.064 -4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.302 3.680 -5.683 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.577 4.487 -4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.951 2.829 -4.795 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.678 3.651 -3.394 1.00 0.00 H new ATOM 715 N LEU A 50 1.617 0.525 -2.134 1.00 0.00 N ATOM 716 CA LEU A 50 2.628 -0.044 -1.263 1.00 0.00 C ATOM 717 C LEU A 50 3.962 -0.243 -1.987 1.00 0.00 C ATOM 718 O LEU A 50 5.007 -0.359 -1.350 1.00 0.00 O ATOM 719 CB LEU A 50 2.144 -1.372 -0.700 1.00 0.00 C ATOM 720 CG LEU A 50 1.142 -1.236 0.436 1.00 0.00 C ATOM 721 CD1 LEU A 50 0.759 -2.597 1.000 1.00 0.00 C ATOM 722 CD2 LEU A 50 1.727 -0.351 1.523 1.00 0.00 C ATOM 0 H LEU A 50 0.757 -0.019 -2.195 1.00 0.00 H new ATOM 0 HA LEU A 50 2.794 0.662 -0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.690 -1.951 -1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.004 -1.939 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 50 0.233 -0.776 0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.042 -2.466 1.810 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.311 -3.204 0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.650 -3.097 1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.010 -0.253 2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.646 -0.798 1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.946 0.634 1.111 1.00 0.00 H new ATOM 734 N GLU A 51 3.930 -0.267 -3.319 1.00 0.00 N ATOM 735 CA GLU A 51 5.155 -0.433 -4.101 1.00 0.00 C ATOM 736 C GLU A 51 5.247 0.596 -5.229 1.00 0.00 C ATOM 737 O GLU A 51 6.262 0.672 -5.922 1.00 0.00 O ATOM 738 CB GLU A 51 5.253 -1.847 -4.677 1.00 0.00 C ATOM 739 CG GLU A 51 3.962 -2.353 -5.298 1.00 0.00 C ATOM 740 CD GLU A 51 3.936 -2.189 -6.804 1.00 0.00 C ATOM 741 OE1 GLU A 51 4.274 -1.088 -7.288 1.00 0.00 O ATOM 742 OE2 GLU A 51 3.578 -3.162 -7.501 1.00 0.00 O ATOM 0 H GLU A 51 3.079 -0.175 -3.874 1.00 0.00 H new ATOM 0 HA GLU A 51 5.992 -0.271 -3.421 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.039 -1.867 -5.432 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.555 -2.531 -3.884 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.832 -3.406 -5.049 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.119 -1.816 -4.863 1.00 0.00 H new ATOM 749 N MET A 52 4.192 1.388 -5.414 1.00 0.00 N ATOM 750 CA MET A 52 4.181 2.406 -6.458 1.00 0.00 C ATOM 751 C MET A 52 5.151 3.533 -6.123 1.00 0.00 C ATOM 752 O MET A 52 6.228 3.631 -6.709 1.00 0.00 O ATOM 753 CB MET A 52 2.771 2.968 -6.646 1.00 0.00 C ATOM 754 CG MET A 52 1.779 1.952 -7.187 1.00 0.00 C ATOM 755 SD MET A 52 0.658 2.658 -8.411 1.00 0.00 S ATOM 756 CE MET A 52 1.791 2.990 -9.757 1.00 0.00 C ATOM 0 H MET A 52 3.339 1.343 -4.857 1.00 0.00 H new ATOM 0 HA MET A 52 4.499 1.938 -7.389 1.00 0.00 H new ATOM 0 HB2 MET A 52 2.408 3.344 -5.689 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.815 3.818 -7.327 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.324 1.121 -7.636 1.00 0.00 H new ATOM 0 HG3 MET A 52 1.197 1.543 -6.361 1.00 0.00 H new ATOM 0 HE1 MET A 52 1.244 2.999 -10.700 1.00 0.00 H new ATOM 0 HE2 MET A 52 2.264 3.960 -9.603 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.556 2.214 -9.789 1.00 0.00 H new ATOM 766 N ASP A 53 4.765 4.382 -5.173 1.00 0.00 N ATOM 767 CA ASP A 53 5.611 5.499 -4.764 1.00 0.00 C ATOM 768 C ASP A 53 6.005 5.371 -3.295 1.00 0.00 C ATOM 769 O ASP A 53 5.200 4.952 -2.467 1.00 0.00 O ATOM 770 CB ASP A 53 4.890 6.828 -5.001 1.00 0.00 C ATOM 771 CG ASP A 53 5.459 7.591 -6.181 1.00 0.00 C ATOM 772 OD1 ASP A 53 5.860 6.942 -7.170 1.00 0.00 O ATOM 773 OD2 ASP A 53 5.503 8.838 -6.117 1.00 0.00 O ATOM 0 H ASP A 53 3.877 4.318 -4.675 1.00 0.00 H new ATOM 0 HA ASP A 53 6.518 5.477 -5.368 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.830 6.638 -5.171 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.964 7.443 -4.104 1.00 0.00 H new ATOM 778 N GLN A 54 7.246 5.734 -2.978 1.00 0.00 N ATOM 779 CA GLN A 54 7.739 5.656 -1.604 1.00 0.00 C ATOM 780 C GLN A 54 6.859 6.479 -0.666 1.00 0.00 C ATOM 781 O GLN A 54 6.571 6.072 0.458 1.00 0.00 O ATOM 782 CB GLN A 54 9.186 6.145 -1.529 1.00 0.00 C ATOM 783 CG GLN A 54 9.925 5.670 -0.289 1.00 0.00 C ATOM 784 CD GLN A 54 10.951 4.597 -0.595 1.00 0.00 C ATOM 785 OE1 GLN A 54 10.970 4.036 -1.691 1.00 0.00 O ATOM 786 NE2 GLN A 54 11.811 4.305 0.373 1.00 0.00 N ATOM 0 H GLN A 54 7.927 6.084 -3.652 1.00 0.00 H new ATOM 0 HA GLN A 54 7.702 4.614 -1.288 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.722 5.804 -2.414 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.194 7.235 -1.552 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.422 6.519 0.180 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.205 5.283 0.432 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.759 4.795 1.266 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.524 3.591 0.224 1.00 0.00 H new ATOM 795 N THR A 55 6.429 7.636 -1.145 1.00 0.00 N ATOM 796 CA THR A 55 5.565 8.514 -0.373 1.00 0.00 C ATOM 797 C THR A 55 4.166 7.915 -0.262 1.00 0.00 C ATOM 798 O THR A 55 3.553 7.925 0.804 1.00 0.00 O ATOM 799 CB THR A 55 5.494 9.898 -1.019 1.00 0.00 C ATOM 800 OG1 THR A 55 4.668 10.764 -0.262 1.00 0.00 O ATOM 801 CG2 THR A 55 4.954 9.871 -2.434 1.00 0.00 C ATOM 0 H THR A 55 6.667 7.990 -2.072 1.00 0.00 H new ATOM 0 HA THR A 55 5.984 8.618 0.628 1.00 0.00 H new ATOM 0 HB THR A 55 6.523 10.257 -1.045 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.637 11.644 -0.691 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.930 10.885 -2.834 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.598 9.250 -3.057 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.945 9.458 -2.431 1.00 0.00 H new ATOM 809 N GLU A 56 3.668 7.401 -1.387 1.00 0.00 N ATOM 810 CA GLU A 56 2.339 6.802 -1.442 1.00 0.00 C ATOM 811 C GLU A 56 2.280 5.497 -0.652 1.00 0.00 C ATOM 812 O GLU A 56 1.320 5.253 0.073 1.00 0.00 O ATOM 813 CB GLU A 56 1.927 6.562 -2.898 1.00 0.00 C ATOM 814 CG GLU A 56 0.749 7.415 -3.342 1.00 0.00 C ATOM 815 CD GLU A 56 1.183 8.716 -3.989 1.00 0.00 C ATOM 816 OE1 GLU A 56 1.794 9.551 -3.291 1.00 0.00 O ATOM 817 OE2 GLU A 56 0.912 8.898 -5.195 1.00 0.00 O ATOM 0 H GLU A 56 4.170 7.389 -2.275 1.00 0.00 H new ATOM 0 HA GLU A 56 1.638 7.500 -0.983 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.779 6.766 -3.547 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.673 5.510 -3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.140 6.849 -4.046 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.119 7.634 -2.480 1.00 0.00 H new ATOM 824 N VAL A 57 3.309 4.663 -0.783 1.00 0.00 N ATOM 825 CA VAL A 57 3.351 3.393 -0.057 1.00 0.00 C ATOM 826 C VAL A 57 3.234 3.648 1.438 1.00 0.00 C ATOM 827 O VAL A 57 2.461 2.993 2.139 1.00 0.00 O ATOM 828 CB VAL A 57 4.670 2.622 -0.328 1.00 0.00 C ATOM 829 CG1 VAL A 57 5.856 3.560 -0.274 1.00 0.00 C ATOM 830 CG2 VAL A 57 4.858 1.478 0.663 1.00 0.00 C ATOM 0 H VAL A 57 4.118 4.840 -1.379 1.00 0.00 H new ATOM 0 HA VAL A 57 2.515 2.788 -0.408 1.00 0.00 H new ATOM 0 HB VAL A 57 4.604 2.195 -1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.771 3.001 -0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.740 4.337 -1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.912 4.019 0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.791 0.958 0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.892 1.877 1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.025 0.780 0.576 1.00 0.00 H new ATOM 840 N LEU A 58 4.006 4.612 1.911 1.00 0.00 N ATOM 841 CA LEU A 58 4.005 4.981 3.313 1.00 0.00 C ATOM 842 C LEU A 58 2.652 5.562 3.723 1.00 0.00 C ATOM 843 O LEU A 58 2.099 5.205 4.758 1.00 0.00 O ATOM 844 CB LEU A 58 5.131 5.996 3.566 1.00 0.00 C ATOM 845 CG LEU A 58 4.895 6.981 4.716 1.00 0.00 C ATOM 846 CD1 LEU A 58 4.638 6.232 6.014 1.00 0.00 C ATOM 847 CD2 LEU A 58 6.086 7.916 4.865 1.00 0.00 C ATOM 0 H LEU A 58 4.648 5.157 1.335 1.00 0.00 H new ATOM 0 HA LEU A 58 4.177 4.091 3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.051 5.447 3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.293 6.566 2.651 1.00 0.00 H new ATOM 0 HG LEU A 58 4.013 7.579 4.485 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.473 6.947 6.820 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.756 5.601 5.902 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.501 5.610 6.252 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.904 8.610 5.686 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.982 7.333 5.075 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.226 8.476 3.941 1.00 0.00 H new ATOM 859 N HIS A 59 2.143 6.474 2.906 1.00 0.00 N ATOM 860 CA HIS A 59 0.870 7.144 3.170 1.00 0.00 C ATOM 861 C HIS A 59 -0.347 6.225 3.009 1.00 0.00 C ATOM 862 O HIS A 59 -1.284 6.282 3.805 1.00 0.00 O ATOM 863 CB HIS A 59 0.735 8.352 2.236 1.00 0.00 C ATOM 864 CG HIS A 59 0.924 9.668 2.925 1.00 0.00 C ATOM 865 ND1 HIS A 59 0.898 10.876 2.260 1.00 0.00 N ATOM 866 CD2 HIS A 59 1.143 9.966 4.229 1.00 0.00 C ATOM 867 CE1 HIS A 59 1.094 11.858 3.121 1.00 0.00 C ATOM 868 NE2 HIS A 59 1.245 11.333 4.322 1.00 0.00 N ATOM 0 H HIS A 59 2.597 6.772 2.043 1.00 0.00 H new ATOM 0 HA HIS A 59 0.883 7.458 4.214 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.467 8.263 1.433 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -0.251 8.333 1.772 1.00 0.00 H new ATOM 0 HD2 HIS A 59 1.222 9.261 5.043 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.125 12.911 2.883 1.00 0.00 H new ATOM 0 HE2 HIS A 59 1.411 11.857 5.181 1.00 0.00 H new ATOM 876 N LEU A 60 -0.350 5.422 1.953 1.00 0.00 N ATOM 877 CA LEU A 60 -1.478 4.537 1.652 1.00 0.00 C ATOM 878 C LEU A 60 -1.650 3.400 2.655 1.00 0.00 C ATOM 879 O LEU A 60 -2.712 2.799 2.710 1.00 0.00 O ATOM 880 CB LEU A 60 -1.372 3.976 0.236 1.00 0.00 C ATOM 881 CG LEU A 60 -1.982 4.866 -0.851 1.00 0.00 C ATOM 882 CD1 LEU A 60 -3.441 5.185 -0.543 1.00 0.00 C ATOM 883 CD2 LEU A 60 -1.177 6.147 -0.991 1.00 0.00 C ATOM 0 H LEU A 60 0.418 5.362 1.285 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.369 5.160 1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.320 3.810 0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.862 3.003 0.207 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.949 4.323 -1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.849 5.818 -1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.013 4.258 -0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.506 5.707 0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.620 6.772 -1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.183 6.686 -0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.150 5.903 -1.264 1.00 0.00 H new ATOM 895 N LEU A 61 -0.621 3.100 3.433 1.00 0.00 N ATOM 896 CA LEU A 61 -0.700 2.028 4.428 1.00 0.00 C ATOM 897 C LEU A 61 -0.245 2.548 5.786 1.00 0.00 C ATOM 898 O LEU A 61 0.416 1.844 6.548 1.00 0.00 O ATOM 899 CB LEU A 61 0.145 0.834 4.000 1.00 0.00 C ATOM 900 CG LEU A 61 -0.576 -0.515 4.080 1.00 0.00 C ATOM 901 CD1 LEU A 61 -1.365 -0.790 2.808 1.00 0.00 C ATOM 902 CD2 LEU A 61 0.414 -1.632 4.351 1.00 0.00 C ATOM 0 H LEU A 61 0.279 3.579 3.399 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.736 1.697 4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.482 0.992 2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.037 0.793 4.626 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.283 -0.473 4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.867 -1.754 2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.108 -0.006 2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.686 -0.808 1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.116 -2.583 4.405 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.148 -1.671 3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.922 -1.446 5.297 1.00 0.00 H new ATOM 914 N GLU A 62 -0.622 3.792 6.080 1.00 0.00 N ATOM 915 CA GLU A 62 -0.274 4.428 7.346 1.00 0.00 C ATOM 916 C GLU A 62 -1.234 5.572 7.668 1.00 0.00 C ATOM 917 O GLU A 62 -1.679 5.712 8.806 1.00 0.00 O ATOM 918 CB GLU A 62 1.156 4.967 7.312 1.00 0.00 C ATOM 919 CG GLU A 62 2.219 3.897 7.118 1.00 0.00 C ATOM 920 CD GLU A 62 2.264 2.899 8.260 1.00 0.00 C ATOM 921 OE1 GLU A 62 1.492 3.067 9.228 1.00 0.00 O ATOM 922 OE2 GLU A 62 3.073 1.950 8.187 1.00 0.00 O ATOM 0 H GLU A 62 -1.171 4.380 5.453 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.352 3.667 8.123 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.239 5.696 6.506 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.355 5.497 8.243 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.028 3.366 6.185 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.194 4.374 7.020 1.00 0.00 H new ATOM 929 N SER A 63 -1.538 6.401 6.668 1.00 0.00 N ATOM 930 CA SER A 63 -2.433 7.537 6.876 1.00 0.00 C ATOM 931 C SER A 63 -3.768 7.345 6.155 1.00 0.00 C ATOM 932 O SER A 63 -3.818 6.779 5.064 1.00 0.00 O ATOM 933 CB SER A 63 -1.767 8.827 6.395 1.00 0.00 C ATOM 934 OG SER A 63 -1.025 9.438 7.437 1.00 0.00 O ATOM 0 H SER A 63 -1.182 6.308 5.717 1.00 0.00 H new ATOM 0 HA SER A 63 -2.635 7.606 7.945 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.108 8.608 5.555 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.527 9.519 6.032 1.00 0.00 H new ATOM 0 HG SER A 63 -0.608 10.260 7.103 1.00 0.00 H new ATOM 940 N PRO A 64 -4.871 7.828 6.760 1.00 0.00 N ATOM 941 CA PRO A 64 -6.206 7.717 6.170 1.00 0.00 C ATOM 942 C PRO A 64 -6.412 8.713 5.033 1.00 0.00 C ATOM 943 O PRO A 64 -6.849 8.346 3.943 1.00 0.00 O ATOM 944 CB PRO A 64 -7.137 8.034 7.340 1.00 0.00 C ATOM 945 CG PRO A 64 -6.341 8.928 8.229 1.00 0.00 C ATOM 946 CD PRO A 64 -4.898 8.525 8.061 1.00 0.00 C ATOM 0 HA PRO A 64 -6.382 6.737 5.727 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.048 8.525 6.999 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.440 7.126 7.861 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.486 9.974 7.958 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.655 8.822 9.267 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.238 9.393 8.063 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.569 7.873 8.870 1.00 0.00 H new ATOM 954 N ASP A 65 -6.075 9.974 5.291 1.00 0.00 N ATOM 955 CA ASP A 65 -6.205 11.024 4.285 1.00 0.00 C ATOM 956 C ASP A 65 -5.389 10.670 3.044 1.00 0.00 C ATOM 957 O ASP A 65 -5.679 11.125 1.938 1.00 0.00 O ATOM 958 CB ASP A 65 -5.744 12.366 4.864 1.00 0.00 C ATOM 959 CG ASP A 65 -4.235 12.540 4.832 1.00 0.00 C ATOM 960 OD1 ASP A 65 -3.706 12.927 3.769 1.00 0.00 O ATOM 961 OD2 ASP A 65 -3.587 12.290 5.869 1.00 0.00 O ATOM 0 H ASP A 65 -5.710 10.293 6.188 1.00 0.00 H new ATOM 0 HA ASP A 65 -7.253 11.109 3.997 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.210 13.176 4.303 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.092 12.450 5.894 1.00 0.00 H new ATOM 966 N ALA A 66 -4.369 9.850 3.253 1.00 0.00 N ATOM 967 CA ALA A 66 -3.494 9.411 2.177 1.00 0.00 C ATOM 968 C ALA A 66 -4.268 8.596 1.150 1.00 0.00 C ATOM 969 O ALA A 66 -4.072 8.737 -0.056 1.00 0.00 O ATOM 970 CB ALA A 66 -2.360 8.584 2.753 1.00 0.00 C ATOM 0 H ALA A 66 -4.126 9.472 4.169 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.086 10.289 1.676 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.704 8.255 1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.791 9.188 3.460 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.769 7.714 3.267 1.00 0.00 H new ATOM 976 N LEU A 67 -5.147 7.740 1.650 1.00 0.00 N ATOM 977 CA LEU A 67 -5.968 6.882 0.808 1.00 0.00 C ATOM 978 C LEU A 67 -7.028 7.681 0.060 1.00 0.00 C ATOM 979 O LEU A 67 -7.383 7.352 -1.069 1.00 0.00 O ATOM 980 CB LEU A 67 -6.606 5.787 1.653 1.00 0.00 C ATOM 981 CG LEU A 67 -5.602 4.939 2.436 1.00 0.00 C ATOM 982 CD1 LEU A 67 -6.138 4.607 3.821 1.00 0.00 C ATOM 983 CD2 LEU A 67 -5.261 3.670 1.666 1.00 0.00 C ATOM 0 H LEU A 67 -5.311 7.621 2.650 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.325 6.421 0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.304 6.244 2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.188 5.134 1.003 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.687 5.518 2.561 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.407 4.003 4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.322 5.530 4.371 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.070 4.049 3.726 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.546 3.079 2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.168 3.087 1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.825 3.935 0.703 1.00 0.00 H new ATOM 995 N LYS A 68 -7.529 8.733 0.694 1.00 0.00 N ATOM 996 CA LYS A 68 -8.553 9.578 0.087 1.00 0.00 C ATOM 997 C LYS A 68 -8.100 10.066 -1.288 1.00 0.00 C ATOM 998 O LYS A 68 -8.909 10.227 -2.202 1.00 0.00 O ATOM 999 CB LYS A 68 -8.858 10.774 0.993 1.00 0.00 C ATOM 1000 CG LYS A 68 -10.149 10.625 1.782 1.00 0.00 C ATOM 1001 CD LYS A 68 -11.290 11.393 1.134 1.00 0.00 C ATOM 1002 CE LYS A 68 -11.263 12.864 1.519 1.00 0.00 C ATOM 1003 NZ LYS A 68 -10.748 13.718 0.413 1.00 0.00 N ATOM 0 H LYS A 68 -7.244 9.023 1.629 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.460 8.986 -0.035 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.030 10.913 1.689 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.916 11.676 0.383 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.413 9.570 1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.998 10.985 2.800 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.224 11.299 0.050 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.242 10.955 1.435 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.268 13.187 1.789 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.637 12.997 2.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.079 14.695 0.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.708 13.701 0.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.097 13.355 -0.497 1.00 0.00 H new ATOM 1017 N ALA A 69 -6.806 10.305 -1.416 1.00 0.00 N ATOM 1018 CA ALA A 69 -6.227 10.778 -2.666 1.00 0.00 C ATOM 1019 C ALA A 69 -6.228 9.710 -3.756 1.00 0.00 C ATOM 1020 O ALA A 69 -6.678 9.948 -4.879 1.00 0.00 O ATOM 1021 CB ALA A 69 -4.797 11.169 -2.406 1.00 0.00 C ATOM 0 H ALA A 69 -6.129 10.178 -0.663 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.832 11.616 -3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.344 11.527 -3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.767 11.960 -1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.244 10.303 -2.042 1.00 0.00 H new ATOM 1027 N LYS A 70 -5.694 8.539 -3.423 1.00 0.00 N ATOM 1028 CA LYS A 70 -5.601 7.441 -4.377 1.00 0.00 C ATOM 1029 C LYS A 70 -6.946 6.776 -4.590 1.00 0.00 C ATOM 1030 O LYS A 70 -7.249 6.313 -5.687 1.00 0.00 O ATOM 1031 CB LYS A 70 -4.585 6.401 -3.901 1.00 0.00 C ATOM 1032 CG LYS A 70 -3.182 6.955 -3.703 1.00 0.00 C ATOM 1033 CD LYS A 70 -2.743 7.816 -4.878 1.00 0.00 C ATOM 1034 CE LYS A 70 -2.730 7.022 -6.174 1.00 0.00 C ATOM 1035 NZ LYS A 70 -2.041 7.758 -7.271 1.00 0.00 N ATOM 0 H LYS A 70 -5.319 8.327 -2.499 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.270 7.861 -5.327 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.932 5.973 -2.961 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.545 5.588 -4.626 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.151 7.546 -2.788 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.481 6.131 -3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.416 8.668 -4.978 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.748 8.217 -4.685 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.232 6.067 -6.009 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.754 6.800 -6.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.054 7.182 -8.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.531 8.658 -7.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.056 7.948 -6.996 1.00 0.00 H new ATOM 1049 N VAL A 71 -7.748 6.724 -3.540 1.00 0.00 N ATOM 1050 CA VAL A 71 -9.064 6.097 -3.644 1.00 0.00 C ATOM 1051 C VAL A 71 -9.894 6.759 -4.735 1.00 0.00 C ATOM 1052 O VAL A 71 -10.530 6.083 -5.537 1.00 0.00 O ATOM 1053 CB VAL A 71 -9.851 6.119 -2.318 1.00 0.00 C ATOM 1054 CG1 VAL A 71 -9.107 5.352 -1.236 1.00 0.00 C ATOM 1055 CG2 VAL A 71 -10.130 7.544 -1.881 1.00 0.00 C ATOM 0 H VAL A 71 -7.521 7.100 -2.619 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.880 5.053 -3.899 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.808 5.625 -2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.681 5.381 -0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.976 4.316 -1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.131 5.808 -1.073 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.686 7.535 -0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.187 8.072 -1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.718 8.051 -2.646 1.00 0.00 H new ATOM 1065 N ALA A 72 -9.872 8.083 -4.781 1.00 0.00 N ATOM 1066 CA ALA A 72 -10.620 8.806 -5.800 1.00 0.00 C ATOM 1067 C ALA A 72 -10.209 8.335 -7.191 1.00 0.00 C ATOM 1068 O ALA A 72 -11.054 8.070 -8.045 1.00 0.00 O ATOM 1069 CB ALA A 72 -10.399 10.304 -5.657 1.00 0.00 C ATOM 0 H ALA A 72 -9.351 8.673 -4.133 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.682 8.601 -5.665 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.965 10.830 -6.426 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -10.735 10.629 -4.672 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.338 10.528 -5.770 1.00 0.00 H new ATOM 1075 N GLU A 73 -8.901 8.229 -7.407 1.00 0.00 N ATOM 1076 CA GLU A 73 -8.371 7.783 -8.691 1.00 0.00 C ATOM 1077 C GLU A 73 -8.572 6.279 -8.899 1.00 0.00 C ATOM 1078 O GLU A 73 -9.061 5.850 -9.944 1.00 0.00 O ATOM 1079 CB GLU A 73 -6.882 8.123 -8.791 1.00 0.00 C ATOM 1080 CG GLU A 73 -6.612 9.522 -9.320 1.00 0.00 C ATOM 1081 CD GLU A 73 -6.185 9.522 -10.775 1.00 0.00 C ATOM 1082 OE1 GLU A 73 -6.463 8.526 -11.475 1.00 0.00 O ATOM 1083 OE2 GLU A 73 -5.574 10.520 -11.214 1.00 0.00 O ATOM 0 H GLU A 73 -8.189 8.446 -6.709 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.922 8.306 -9.473 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.428 8.022 -7.805 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.395 7.397 -9.442 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.511 10.128 -9.209 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.835 9.991 -8.717 1.00 0.00 H new ATOM 1090 N ALA A 74 -8.170 5.483 -7.909 1.00 0.00 N ATOM 1091 CA ALA A 74 -8.284 4.027 -7.996 1.00 0.00 C ATOM 1092 C ALA A 74 -9.737 3.550 -7.962 1.00 0.00 C ATOM 1093 O ALA A 74 -10.162 2.786 -8.829 1.00 0.00 O ATOM 1094 CB ALA A 74 -7.479 3.356 -6.887 1.00 0.00 C ATOM 0 H ALA A 74 -7.762 5.821 -7.037 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.872 3.736 -8.962 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.577 2.274 -6.970 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.429 3.633 -6.981 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.855 3.681 -5.917 1.00 0.00 H new ATOM 1100 N MET A 75 -10.492 3.988 -6.958 1.00 0.00 N ATOM 1101 CA MET A 75 -11.885 3.583 -6.824 1.00 0.00 C ATOM 1102 C MET A 75 -12.694 3.967 -8.058 1.00 0.00 C ATOM 1103 O MET A 75 -13.587 3.231 -8.478 1.00 0.00 O ATOM 1104 CB MET A 75 -12.504 4.218 -5.579 1.00 0.00 C ATOM 1105 CG MET A 75 -11.781 3.876 -4.286 1.00 0.00 C ATOM 1106 SD MET A 75 -12.862 3.967 -2.846 1.00 0.00 S ATOM 1107 CE MET A 75 -13.274 5.710 -2.842 1.00 0.00 C ATOM 0 H MET A 75 -10.163 4.621 -6.229 1.00 0.00 H new ATOM 0 HA MET A 75 -11.909 2.498 -6.724 1.00 0.00 H new ATOM 0 HB2 MET A 75 -12.513 5.301 -5.702 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.543 3.897 -5.498 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.365 2.871 -4.361 1.00 0.00 H new ATOM 0 HG3 MET A 75 -10.942 4.559 -4.151 1.00 0.00 H new ATOM 0 HE1 MET A 75 -13.109 6.121 -1.846 1.00 0.00 H new ATOM 0 HE2 MET A 75 -12.644 6.235 -3.560 1.00 0.00 H new ATOM 0 HE3 MET A 75 -14.321 5.837 -3.118 1.00 0.00 H new