USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 665 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 78 HIS : no HD1:sc= -1.59 K(o=-3.3,f=-2.1) USER MOD Set 1.2: A 79 THR OG1 : rot 180:sc= -0.039 USER MOD Set 1.3: A 82 GLN : amide:sc= -1.62 K(o=-3.3,f=-0.082) USER MOD Set 2.1: A 34 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0191) USER MOD Set 2.2: A 41 MET CE :methyl 137:sc= -0.454 (180deg=-1.98) USER MOD Single : A 21 MET CE :methyl -126:sc= -0.673 (180deg=-3.08) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0582 K(o=-0.058,f=-1.2!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -90:sc= 1.06 USER MOD Single : A 57 CYS SG : rot -41:sc= 0.225 USER MOD Single : A 62 ASN : amide:sc= -1.21 X(o=-1.2,f=-0.77!) USER MOD Single : A 66 GLN : amide:sc= -0.602 X(o=-0.6,f=-0.69) USER MOD Single : A 71 ASN : amide:sc= -0.0777 K(o=-0.078,f=-2.1) USER MOD Single : A 80 HIS : no HE2:sc= -1.84 X(o=-1.8,f=-1.6) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -100:sc= -0.0917 (180deg=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 171 N LEU A 16 3.916 -8.702 -15.615 1.00 0.00 N ATOM 172 CA LEU A 16 3.566 -8.186 -14.296 1.00 0.00 C ATOM 173 C LEU A 16 2.053 -8.070 -14.141 1.00 0.00 C ATOM 174 O LEU A 16 1.328 -7.905 -15.122 1.00 0.00 O ATOM 175 CB LEU A 16 4.219 -6.821 -14.070 1.00 0.00 C ATOM 176 CG LEU A 16 5.608 -6.840 -13.432 1.00 0.00 C ATOM 177 CD1 LEU A 16 5.528 -7.318 -11.990 1.00 0.00 C ATOM 178 CD2 LEU A 16 6.553 -7.721 -14.236 1.00 0.00 C ATOM 0 HA LEU A 16 3.937 -8.887 -13.549 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.289 -6.310 -15.030 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.559 -6.225 -13.439 1.00 0.00 H new ATOM 0 HG LEU A 16 6.001 -5.823 -13.435 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.527 -7.325 -11.553 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.887 -6.647 -11.419 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.114 -8.326 -11.963 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.537 -7.722 -13.767 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.164 -8.739 -14.266 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.636 -7.334 -15.252 1.00 0.00 H new ATOM 190 N VAL A 17 1.582 -8.156 -12.901 1.00 0.00 N ATOM 191 CA VAL A 17 0.155 -8.058 -12.616 1.00 0.00 C ATOM 192 C VAL A 17 -0.215 -6.658 -12.140 1.00 0.00 C ATOM 193 O VAL A 17 0.566 -5.996 -11.455 1.00 0.00 O ATOM 194 CB VAL A 17 -0.277 -9.082 -11.550 1.00 0.00 C ATOM 195 CG1 VAL A 17 -1.733 -8.871 -11.165 1.00 0.00 C ATOM 196 CG2 VAL A 17 -0.049 -10.500 -12.051 1.00 0.00 C ATOM 0 H VAL A 17 2.168 -8.293 -12.077 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.369 -8.272 -13.547 1.00 0.00 H new ATOM 0 HB VAL A 17 0.334 -8.933 -10.660 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.020 -9.604 -10.411 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.861 -7.866 -10.762 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.363 -8.991 -12.046 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.360 -11.211 -11.285 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.633 -10.664 -12.957 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.009 -10.643 -12.271 1.00 0.00 H new ATOM 206 N LEU A 18 -1.412 -6.212 -12.505 1.00 0.00 N ATOM 207 CA LEU A 18 -1.888 -4.889 -12.114 1.00 0.00 C ATOM 208 C LEU A 18 -3.242 -4.981 -11.419 1.00 0.00 C ATOM 209 O LEU A 18 -4.159 -5.639 -11.910 1.00 0.00 O ATOM 210 CB LEU A 18 -1.991 -3.980 -13.340 1.00 0.00 C ATOM 211 CG LEU A 18 -2.827 -2.712 -13.167 1.00 0.00 C ATOM 212 CD1 LEU A 18 -1.975 -1.583 -12.609 1.00 0.00 C ATOM 213 CD2 LEU A 18 -3.458 -2.303 -14.490 1.00 0.00 C ATOM 0 H LEU A 18 -2.071 -6.747 -13.071 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.170 -4.463 -11.413 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.983 -3.689 -13.637 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.411 -4.559 -14.162 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.626 -2.922 -12.456 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.587 -0.689 -12.493 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.573 -1.876 -11.639 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.154 -1.374 -13.295 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.049 -1.399 -14.347 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.674 -2.112 -15.223 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.103 -3.105 -14.849 1.00 0.00 H new ATOM 225 N ILE A 19 -3.360 -4.315 -10.275 1.00 0.00 N ATOM 226 CA ILE A 19 -4.604 -4.319 -9.515 1.00 0.00 C ATOM 227 C ILE A 19 -5.413 -3.053 -9.777 1.00 0.00 C ATOM 228 O ILE A 19 -5.032 -1.962 -9.352 1.00 0.00 O ATOM 229 CB ILE A 19 -4.338 -4.442 -8.002 1.00 0.00 C ATOM 230 CG1 ILE A 19 -3.473 -5.669 -7.712 1.00 0.00 C ATOM 231 CG2 ILE A 19 -5.652 -4.520 -7.239 1.00 0.00 C ATOM 232 CD1 ILE A 19 -4.233 -6.975 -7.785 1.00 0.00 C ATOM 0 H ILE A 19 -2.610 -3.766 -9.854 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.175 -5.186 -9.847 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.799 -3.555 -7.669 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.648 -5.698 -8.423 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.035 -5.568 -6.719 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.448 -4.607 -6.172 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.235 -3.618 -7.425 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.215 -5.391 -7.573 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.557 -7.802 -7.568 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.042 -6.967 -7.054 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.649 -7.099 -8.785 1.00 0.00 H new ATOM 244 N ARG A 20 -6.531 -3.207 -10.477 1.00 0.00 N ATOM 245 CA ARG A 20 -7.395 -2.076 -10.795 1.00 0.00 C ATOM 246 C ARG A 20 -8.622 -2.058 -9.889 1.00 0.00 C ATOM 247 O ARG A 20 -9.385 -3.022 -9.842 1.00 0.00 O ATOM 248 CB ARG A 20 -7.830 -2.136 -12.261 1.00 0.00 C ATOM 249 CG ARG A 20 -8.113 -0.772 -12.868 1.00 0.00 C ATOM 250 CD ARG A 20 -8.041 -0.813 -14.387 1.00 0.00 C ATOM 251 NE ARG A 20 -9.184 -1.511 -14.970 1.00 0.00 N ATOM 252 CZ ARG A 20 -9.281 -1.812 -16.260 1.00 0.00 C ATOM 253 NH1 ARG A 20 -8.308 -1.479 -17.097 1.00 0.00 N ATOM 254 NH2 ARG A 20 -10.352 -2.449 -16.715 1.00 0.00 N ATOM 0 H ARG A 20 -6.860 -4.103 -10.835 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.829 -1.160 -10.628 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.051 -2.629 -12.843 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.725 -2.753 -12.341 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.101 -0.433 -12.558 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.393 -0.047 -12.488 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.001 0.205 -14.776 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.119 -1.308 -14.693 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.949 -1.782 -14.353 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.482 -0.990 -16.751 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.385 -1.711 -18.087 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.102 -2.708 -16.074 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.426 -2.680 -17.706 1.00 0.00 H new ATOM 268 N MET A 21 -8.805 -0.954 -9.172 1.00 0.00 N ATOM 269 CA MET A 21 -9.940 -0.810 -8.268 1.00 0.00 C ATOM 270 C MET A 21 -10.271 0.662 -8.040 1.00 0.00 C ATOM 271 O MET A 21 -9.569 1.549 -8.526 1.00 0.00 O ATOM 272 CB MET A 21 -9.644 -1.491 -6.930 1.00 0.00 C ATOM 273 CG MET A 21 -8.436 -0.913 -6.209 1.00 0.00 C ATOM 274 SD MET A 21 -8.140 -1.697 -4.613 1.00 0.00 S ATOM 275 CE MET A 21 -6.389 -2.056 -4.731 1.00 0.00 C ATOM 0 H MET A 21 -8.182 -0.147 -9.199 1.00 0.00 H new ATOM 0 HA MET A 21 -10.803 -1.291 -8.729 1.00 0.00 H new ATOM 0 HB2 MET A 21 -10.518 -1.403 -6.285 1.00 0.00 H new ATOM 0 HB3 MET A 21 -9.480 -2.555 -7.101 1.00 0.00 H new ATOM 0 HG2 MET A 21 -7.553 -1.030 -6.837 1.00 0.00 H new ATOM 0 HG3 MET A 21 -8.583 0.157 -6.062 1.00 0.00 H new ATOM 0 HE1 MET A 21 -6.221 -3.115 -4.535 1.00 0.00 H new ATOM 0 HE2 MET A 21 -6.034 -1.811 -5.732 1.00 0.00 H new ATOM 0 HE3 MET A 21 -5.845 -1.460 -3.998 1.00 0.00 H new ATOM 285 N LYS A 22 -11.345 0.914 -7.300 1.00 0.00 N ATOM 286 CA LYS A 22 -11.769 2.278 -7.007 1.00 0.00 C ATOM 287 C LYS A 22 -12.028 2.459 -5.515 1.00 0.00 C ATOM 288 O LYS A 22 -12.390 1.521 -4.805 1.00 0.00 O ATOM 289 CB LYS A 22 -13.032 2.623 -7.800 1.00 0.00 C ATOM 290 CG LYS A 22 -14.277 1.909 -7.302 1.00 0.00 C ATOM 291 CD LYS A 22 -15.534 2.713 -7.588 1.00 0.00 C ATOM 292 CE LYS A 22 -15.911 2.653 -9.060 1.00 0.00 C ATOM 293 NZ LYS A 22 -16.650 1.403 -9.392 1.00 0.00 N ATOM 0 H LYS A 22 -11.938 0.191 -6.892 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.966 2.953 -7.303 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -13.197 3.699 -7.753 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.873 2.370 -8.848 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -14.353 0.932 -7.780 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -14.192 1.734 -6.229 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -16.357 2.330 -6.985 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -15.378 3.751 -7.293 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -16.526 3.517 -9.313 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.009 2.714 -9.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -16.889 1.400 -10.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -16.054 0.579 -9.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -17.524 1.356 -8.830 1.00 0.00 H new ATOM 307 N PRO A 23 -11.839 3.694 -5.026 1.00 0.00 N ATOM 308 CA PRO A 23 -12.048 4.027 -3.614 1.00 0.00 C ATOM 309 C PRO A 23 -13.521 3.991 -3.222 1.00 0.00 C ATOM 310 O PRO A 23 -14.403 4.039 -4.080 1.00 0.00 O ATOM 311 CB PRO A 23 -11.499 5.451 -3.500 1.00 0.00 C ATOM 312 CG PRO A 23 -11.619 6.014 -4.874 1.00 0.00 C ATOM 313 CD PRO A 23 -11.407 4.860 -5.815 1.00 0.00 C ATOM 0 HA PRO A 23 -11.560 3.313 -2.950 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.069 6.039 -2.780 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.463 5.450 -3.162 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.599 6.466 -5.026 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.878 6.795 -5.042 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.996 4.970 -6.725 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.364 4.776 -6.119 1.00 0.00 H new ATOM 321 N ASP A 24 -13.781 3.906 -1.922 1.00 0.00 N ATOM 322 CA ASP A 24 -15.148 3.866 -1.416 1.00 0.00 C ATOM 323 C ASP A 24 -15.690 5.275 -1.201 1.00 0.00 C ATOM 324 O ASP A 24 -15.013 6.261 -1.491 1.00 0.00 O ATOM 325 CB ASP A 24 -15.207 3.078 -0.106 1.00 0.00 C ATOM 326 CG ASP A 24 -14.823 1.623 -0.288 1.00 0.00 C ATOM 327 OD1 ASP A 24 -13.621 1.308 -0.174 1.00 0.00 O ATOM 328 OD2 ASP A 24 -15.726 0.799 -0.546 1.00 0.00 O ATOM 0 H ASP A 24 -13.063 3.863 -1.199 1.00 0.00 H new ATOM 0 HA ASP A 24 -15.769 3.367 -2.160 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.539 3.539 0.622 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -16.215 3.136 0.305 1.00 0.00 H new ATOM 333 N GLU A 25 -16.916 5.362 -0.693 1.00 0.00 N ATOM 334 CA GLU A 25 -17.548 6.651 -0.441 1.00 0.00 C ATOM 335 C GLU A 25 -16.767 7.447 0.600 1.00 0.00 C ATOM 336 O GLU A 25 -17.052 8.619 0.843 1.00 0.00 O ATOM 337 CB GLU A 25 -18.991 6.453 0.029 1.00 0.00 C ATOM 338 CG GLU A 25 -19.129 5.449 1.161 1.00 0.00 C ATOM 339 CD GLU A 25 -20.408 5.637 1.955 1.00 0.00 C ATOM 340 OE1 GLU A 25 -20.897 6.783 2.027 1.00 0.00 O ATOM 341 OE2 GLU A 25 -20.918 4.638 2.504 1.00 0.00 O ATOM 0 H GLU A 25 -17.490 4.555 -0.448 1.00 0.00 H new ATOM 0 HA GLU A 25 -17.551 7.213 -1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -19.393 7.412 0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -19.597 6.123 -0.815 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -19.105 4.439 0.751 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -18.273 5.541 1.830 1.00 0.00 H new ATOM 348 N ASN A 26 -15.780 6.800 1.212 1.00 0.00 N ATOM 349 CA ASN A 26 -14.958 7.446 2.229 1.00 0.00 C ATOM 350 C ASN A 26 -13.490 7.458 1.813 1.00 0.00 C ATOM 351 O ASN A 26 -12.597 7.551 2.654 1.00 0.00 O ATOM 352 CB ASN A 26 -15.114 6.731 3.572 1.00 0.00 C ATOM 353 CG ASN A 26 -16.524 6.830 4.119 1.00 0.00 C ATOM 354 OD1 ASN A 26 -17.210 7.833 3.921 1.00 0.00 O ATOM 355 ND2 ASN A 26 -16.964 5.786 4.813 1.00 0.00 N ATOM 0 H ASN A 26 -15.530 5.830 1.021 1.00 0.00 H new ATOM 0 HA ASN A 26 -15.297 8.477 2.334 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -14.846 5.681 3.455 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -14.417 7.160 4.292 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -17.905 5.795 5.206 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -16.361 4.975 4.952 1.00 0.00 H new ATOM 362 N GLY A 27 -13.248 7.365 0.509 1.00 0.00 N ATOM 363 CA GLY A 27 -11.887 7.367 0.004 1.00 0.00 C ATOM 364 C GLY A 27 -10.986 6.414 0.763 1.00 0.00 C ATOM 365 O GLY A 27 -9.891 6.787 1.184 1.00 0.00 O ATOM 0 H GLY A 27 -13.970 7.288 -0.207 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.894 7.093 -1.051 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.480 8.376 0.069 1.00 0.00 H new ATOM 369 N ARG A 28 -11.448 5.180 0.940 1.00 0.00 N ATOM 370 CA ARG A 28 -10.676 4.171 1.657 1.00 0.00 C ATOM 371 C ARG A 28 -10.601 2.875 0.856 1.00 0.00 C ATOM 372 O ARG A 28 -11.461 2.598 0.020 1.00 0.00 O ATOM 373 CB ARG A 28 -11.299 3.901 3.028 1.00 0.00 C ATOM 374 CG ARG A 28 -12.605 3.127 2.961 1.00 0.00 C ATOM 375 CD ARG A 28 -13.419 3.297 4.234 1.00 0.00 C ATOM 376 NE ARG A 28 -12.791 2.641 5.378 1.00 0.00 N ATOM 377 CZ ARG A 28 -13.224 2.768 6.627 1.00 0.00 C ATOM 378 NH1 ARG A 28 -14.282 3.522 6.892 1.00 0.00 N ATOM 379 NH2 ARG A 28 -12.599 2.139 7.615 1.00 0.00 N ATOM 0 H ARG A 28 -12.352 4.855 0.597 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.664 4.552 1.794 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.587 3.344 3.638 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.475 4.852 3.531 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -13.189 3.469 2.106 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.395 2.070 2.801 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.541 4.359 4.447 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -14.417 2.886 4.083 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.975 2.053 5.208 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -14.765 4.006 6.136 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.612 3.618 7.852 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.785 1.557 7.415 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -12.933 2.237 8.574 1.00 0.00 H new ATOM 393 N PHE A 29 -9.566 2.083 1.117 1.00 0.00 N ATOM 394 CA PHE A 29 -9.377 0.817 0.420 1.00 0.00 C ATOM 395 C PHE A 29 -9.501 -0.359 1.384 1.00 0.00 C ATOM 396 O PHE A 29 -9.719 -0.174 2.581 1.00 0.00 O ATOM 397 CB PHE A 29 -8.009 0.786 -0.265 1.00 0.00 C ATOM 398 CG PHE A 29 -7.846 1.837 -1.326 1.00 0.00 C ATOM 399 CD1 PHE A 29 -7.396 3.106 -0.998 1.00 0.00 C ATOM 400 CD2 PHE A 29 -8.143 1.556 -2.650 1.00 0.00 C ATOM 401 CE1 PHE A 29 -7.246 4.076 -1.972 1.00 0.00 C ATOM 402 CE2 PHE A 29 -7.994 2.522 -3.628 1.00 0.00 C ATOM 403 CZ PHE A 29 -7.544 3.783 -3.289 1.00 0.00 C ATOM 0 H PHE A 29 -8.845 2.296 1.807 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.157 0.728 -0.336 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.232 0.917 0.488 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.857 -0.197 -0.712 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.160 3.340 0.030 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.495 0.572 -2.921 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.896 5.062 -1.704 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.229 2.291 -4.656 1.00 0.00 H new ATOM 0 HZ PHE A 29 -7.425 4.538 -4.052 1.00 0.00 H new ATOM 413 N GLY A 30 -9.363 -1.570 0.853 1.00 0.00 N ATOM 414 CA GLY A 30 -9.463 -2.759 1.680 1.00 0.00 C ATOM 415 C GLY A 30 -8.227 -3.632 1.592 1.00 0.00 C ATOM 416 O GLY A 30 -8.310 -4.802 1.216 1.00 0.00 O ATOM 0 H GLY A 30 -9.184 -1.749 -0.135 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.623 -2.464 2.717 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.335 -3.337 1.375 1.00 0.00 H new ATOM 420 N PHE A 31 -7.077 -3.064 1.939 1.00 0.00 N ATOM 421 CA PHE A 31 -5.818 -3.798 1.895 1.00 0.00 C ATOM 422 C PHE A 31 -4.724 -3.047 2.648 1.00 0.00 C ATOM 423 O PHE A 31 -4.551 -1.842 2.473 1.00 0.00 O ATOM 424 CB PHE A 31 -5.388 -4.029 0.445 1.00 0.00 C ATOM 425 CG PHE A 31 -4.686 -2.851 -0.167 1.00 0.00 C ATOM 426 CD1 PHE A 31 -3.323 -2.674 0.005 1.00 0.00 C ATOM 427 CD2 PHE A 31 -5.389 -1.920 -0.915 1.00 0.00 C ATOM 428 CE1 PHE A 31 -2.673 -1.591 -0.557 1.00 0.00 C ATOM 429 CE2 PHE A 31 -4.745 -0.836 -1.480 1.00 0.00 C ATOM 430 CZ PHE A 31 -3.386 -0.670 -1.299 1.00 0.00 C ATOM 0 H PHE A 31 -6.991 -2.098 2.254 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.972 -4.762 2.379 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.729 -4.896 0.404 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.268 -4.268 -0.153 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.761 -3.391 0.585 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.452 -2.043 -1.058 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.610 -1.465 -0.416 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.304 -0.119 -2.063 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.882 0.179 -1.737 1.00 0.00 H new ATOM 440 N ASN A 32 -3.989 -3.770 3.487 1.00 0.00 N ATOM 441 CA ASN A 32 -2.912 -3.172 4.268 1.00 0.00 C ATOM 442 C ASN A 32 -1.550 -3.537 3.686 1.00 0.00 C ATOM 443 O ASN A 32 -1.443 -4.419 2.833 1.00 0.00 O ATOM 444 CB ASN A 32 -2.996 -3.632 5.725 1.00 0.00 C ATOM 445 CG ASN A 32 -3.954 -2.788 6.544 1.00 0.00 C ATOM 446 OD1 ASN A 32 -5.106 -2.589 6.159 1.00 0.00 O ATOM 447 ND2 ASN A 32 -3.480 -2.287 7.678 1.00 0.00 N ATOM 0 H ASN A 32 -4.119 -4.769 3.643 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.026 -2.089 4.228 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.316 -4.674 5.756 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -2.004 -3.590 6.174 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.078 -1.711 8.270 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -2.518 -2.478 7.957 1.00 0.00 H new ATOM 454 N VAL A 33 -0.510 -2.853 4.152 1.00 0.00 N ATOM 455 CA VAL A 33 0.846 -3.106 3.680 1.00 0.00 C ATOM 456 C VAL A 33 1.852 -3.012 4.821 1.00 0.00 C ATOM 457 O VAL A 33 1.597 -2.366 5.837 1.00 0.00 O ATOM 458 CB VAL A 33 1.248 -2.115 2.572 1.00 0.00 C ATOM 459 CG1 VAL A 33 0.319 -2.246 1.374 1.00 0.00 C ATOM 460 CG2 VAL A 33 1.245 -0.690 3.105 1.00 0.00 C ATOM 0 H VAL A 33 -0.581 -2.119 4.857 1.00 0.00 H new ATOM 0 HA VAL A 33 0.856 -4.117 3.274 1.00 0.00 H new ATOM 0 HB VAL A 33 2.260 -2.355 2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.619 -1.538 0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.376 -3.260 0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.705 -2.034 1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.531 -0.003 2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.246 -0.437 3.461 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.955 -0.608 3.928 1.00 0.00 H new ATOM 470 N LYS A 34 2.999 -3.660 4.646 1.00 0.00 N ATOM 471 CA LYS A 34 4.047 -3.649 5.660 1.00 0.00 C ATOM 472 C LYS A 34 5.428 -3.703 5.015 1.00 0.00 C ATOM 473 O LYS A 34 5.574 -4.139 3.874 1.00 0.00 O ATOM 474 CB LYS A 34 3.872 -4.830 6.617 1.00 0.00 C ATOM 475 CG LYS A 34 4.330 -6.156 6.036 1.00 0.00 C ATOM 476 CD LYS A 34 3.577 -7.324 6.650 1.00 0.00 C ATOM 477 CE LYS A 34 3.961 -8.642 5.994 1.00 0.00 C ATOM 478 NZ LYS A 34 5.361 -9.035 6.316 1.00 0.00 N ATOM 0 H LYS A 34 3.226 -4.200 3.811 1.00 0.00 H new ATOM 0 HA LYS A 34 3.964 -2.719 6.222 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.430 -4.631 7.532 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.821 -4.908 6.896 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.180 -6.152 4.956 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.399 -6.280 6.209 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.788 -7.373 7.718 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.504 -7.163 6.544 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.279 -9.425 6.325 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.847 -8.556 4.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.567 -9.962 5.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.018 -8.325 5.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.477 -9.092 7.348 1.00 0.00 H new ATOM 492 N GLY A 35 6.440 -3.259 5.755 1.00 0.00 N ATOM 493 CA GLY A 35 7.796 -3.268 5.238 1.00 0.00 C ATOM 494 C GLY A 35 8.224 -1.913 4.710 1.00 0.00 C ATOM 495 O GLY A 35 7.739 -0.879 5.168 1.00 0.00 O ATOM 0 H GLY A 35 6.345 -2.894 6.703 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.480 -3.580 6.027 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.872 -4.006 4.440 1.00 0.00 H new ATOM 499 N GLY A 36 9.136 -1.918 3.742 1.00 0.00 N ATOM 500 CA GLY A 36 9.615 -0.674 3.168 1.00 0.00 C ATOM 501 C GLY A 36 11.089 -0.443 3.434 1.00 0.00 C ATOM 502 O GLY A 36 11.704 -1.157 4.227 1.00 0.00 O ATOM 0 H GLY A 36 9.551 -2.761 3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.440 -0.683 2.092 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.040 0.157 3.578 1.00 0.00 H new ATOM 506 N TYR A 37 11.659 0.556 2.769 1.00 0.00 N ATOM 507 CA TYR A 37 13.072 0.877 2.934 1.00 0.00 C ATOM 508 C TYR A 37 13.469 0.845 4.407 1.00 0.00 C ATOM 509 O TYR A 37 14.624 0.583 4.744 1.00 0.00 O ATOM 510 CB TYR A 37 13.376 2.255 2.342 1.00 0.00 C ATOM 511 CG TYR A 37 14.829 2.447 1.971 1.00 0.00 C ATOM 512 CD1 TYR A 37 15.482 1.540 1.146 1.00 0.00 C ATOM 513 CD2 TYR A 37 15.549 3.536 2.446 1.00 0.00 C ATOM 514 CE1 TYR A 37 16.809 1.711 0.805 1.00 0.00 C ATOM 515 CE2 TYR A 37 16.877 3.717 2.109 1.00 0.00 C ATOM 516 CZ TYR A 37 17.502 2.801 1.289 1.00 0.00 C ATOM 517 OH TYR A 37 18.825 2.976 0.951 1.00 0.00 O ATOM 0 H TYR A 37 11.164 1.158 2.110 1.00 0.00 H new ATOM 0 HA TYR A 37 13.654 0.124 2.403 1.00 0.00 H new ATOM 0 HB2 TYR A 37 12.760 2.404 1.455 1.00 0.00 H new ATOM 0 HB3 TYR A 37 13.089 3.022 3.062 1.00 0.00 H new ATOM 0 HD1 TYR A 37 14.942 0.686 0.765 1.00 0.00 H new ATOM 0 HD2 TYR A 37 15.062 4.254 3.090 1.00 0.00 H new ATOM 0 HE1 TYR A 37 17.301 0.996 0.163 1.00 0.00 H new ATOM 0 HE2 TYR A 37 17.422 4.570 2.485 1.00 0.00 H new ATOM 0 HH TYR A 37 19.165 3.792 1.373 1.00 0.00 H new ATOM 527 N ASP A 38 12.504 1.112 5.279 1.00 0.00 N ATOM 528 CA ASP A 38 12.750 1.112 6.716 1.00 0.00 C ATOM 529 C ASP A 38 13.364 -0.212 7.162 1.00 0.00 C ATOM 530 O ASP A 38 14.313 -0.234 7.945 1.00 0.00 O ATOM 531 CB ASP A 38 11.450 1.368 7.479 1.00 0.00 C ATOM 532 CG ASP A 38 11.157 2.847 7.644 1.00 0.00 C ATOM 533 OD1 ASP A 38 12.095 3.604 7.967 1.00 0.00 O ATOM 534 OD2 ASP A 38 9.989 3.246 7.450 1.00 0.00 O ATOM 0 H ASP A 38 11.543 1.331 5.016 1.00 0.00 H new ATOM 0 HA ASP A 38 13.455 1.913 6.938 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.623 0.893 6.951 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.511 0.901 8.462 1.00 0.00 H new ATOM 539 N GLN A 39 12.813 -1.312 6.660 1.00 0.00 N ATOM 540 CA GLN A 39 13.305 -2.640 7.008 1.00 0.00 C ATOM 541 C GLN A 39 13.905 -3.335 5.791 1.00 0.00 C ATOM 542 O GLN A 39 13.900 -4.563 5.698 1.00 0.00 O ATOM 543 CB GLN A 39 12.174 -3.489 7.590 1.00 0.00 C ATOM 544 CG GLN A 39 11.892 -3.204 9.057 1.00 0.00 C ATOM 545 CD GLN A 39 12.848 -3.925 9.986 1.00 0.00 C ATOM 546 OE1 GLN A 39 13.296 -5.035 9.697 1.00 0.00 O ATOM 547 NE2 GLN A 39 13.168 -3.295 11.111 1.00 0.00 N ATOM 0 H GLN A 39 12.026 -1.310 6.011 1.00 0.00 H new ATOM 0 HA GLN A 39 14.087 -2.525 7.759 1.00 0.00 H new ATOM 0 HB2 GLN A 39 11.266 -3.314 7.013 1.00 0.00 H new ATOM 0 HB3 GLN A 39 12.426 -4.543 7.475 1.00 0.00 H new ATOM 0 HG2 GLN A 39 11.960 -2.131 9.234 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.870 -3.502 9.291 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.773 -2.376 11.311 1.00 0.00 H new ATOM 0 HE22 GLN A 39 13.808 -3.730 11.775 1.00 0.00 H new ATOM 556 N LYS A 40 14.421 -2.543 4.858 1.00 0.00 N ATOM 557 CA LYS A 40 15.026 -3.081 3.645 1.00 0.00 C ATOM 558 C LYS A 40 14.250 -4.294 3.142 1.00 0.00 C ATOM 559 O LYS A 40 14.822 -5.205 2.545 1.00 0.00 O ATOM 560 CB LYS A 40 16.484 -3.468 3.906 1.00 0.00 C ATOM 561 CG LYS A 40 17.456 -2.311 3.755 1.00 0.00 C ATOM 562 CD LYS A 40 18.865 -2.801 3.466 1.00 0.00 C ATOM 563 CE LYS A 40 19.903 -1.741 3.801 1.00 0.00 C ATOM 564 NZ LYS A 40 21.252 -2.334 4.019 1.00 0.00 N ATOM 0 H LYS A 40 14.433 -1.525 4.918 1.00 0.00 H new ATOM 0 HA LYS A 40 14.993 -2.307 2.878 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.569 -3.874 4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.769 -4.263 3.217 1.00 0.00 H new ATOM 0 HG2 LYS A 40 17.124 -1.659 2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 40 17.457 -1.714 4.667 1.00 0.00 H new ATOM 0 HD2 LYS A 40 19.064 -3.703 4.045 1.00 0.00 H new ATOM 0 HD3 LYS A 40 18.948 -3.073 2.414 1.00 0.00 H new ATOM 0 HE2 LYS A 40 19.953 -1.013 2.991 1.00 0.00 H new ATOM 0 HE3 LYS A 40 19.595 -1.201 4.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 21.931 -1.579 4.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 21.211 -3.010 4.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 21.558 -2.828 3.156 1.00 0.00 H new ATOM 578 N MET A 41 12.943 -4.297 3.386 1.00 0.00 N ATOM 579 CA MET A 41 12.088 -5.397 2.954 1.00 0.00 C ATOM 580 C MET A 41 11.036 -4.911 1.962 1.00 0.00 C ATOM 581 O MET A 41 10.623 -3.752 1.977 1.00 0.00 O ATOM 582 CB MET A 41 11.407 -6.045 4.161 1.00 0.00 C ATOM 583 CG MET A 41 10.276 -5.211 4.741 1.00 0.00 C ATOM 584 SD MET A 41 9.131 -6.189 5.733 1.00 0.00 S ATOM 585 CE MET A 41 8.315 -7.149 4.460 1.00 0.00 C ATOM 0 H MET A 41 12.454 -3.551 3.880 1.00 0.00 H new ATOM 0 HA MET A 41 12.714 -6.138 2.458 1.00 0.00 H new ATOM 0 HB2 MET A 41 11.016 -7.019 3.867 1.00 0.00 H new ATOM 0 HB3 MET A 41 12.152 -6.222 4.937 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.695 -4.415 5.356 1.00 0.00 H new ATOM 0 HG3 MET A 41 9.729 -4.732 3.929 1.00 0.00 H new ATOM 0 HE1 MET A 41 8.215 -8.182 4.792 1.00 0.00 H new ATOM 0 HE2 MET A 41 7.326 -6.732 4.267 1.00 0.00 H new ATOM 0 HE3 MET A 41 8.907 -7.117 3.545 1.00 0.00 H new ATOM 595 N PRO A 42 10.592 -5.817 1.079 1.00 0.00 N ATOM 596 CA PRO A 42 9.582 -5.504 0.063 1.00 0.00 C ATOM 597 C PRO A 42 8.202 -5.273 0.669 1.00 0.00 C ATOM 598 O PRO A 42 7.848 -5.880 1.680 1.00 0.00 O ATOM 599 CB PRO A 42 9.575 -6.749 -0.826 1.00 0.00 C ATOM 600 CG PRO A 42 10.056 -7.848 0.057 1.00 0.00 C ATOM 601 CD PRO A 42 11.040 -7.218 1.003 1.00 0.00 C ATOM 0 HA PRO A 42 9.814 -4.583 -0.472 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.576 -6.957 -1.208 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.227 -6.622 -1.690 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.228 -8.302 0.601 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.527 -8.639 -0.526 1.00 0.00 H new ATOM 0 HD2 PRO A 42 11.022 -7.699 1.981 1.00 0.00 H new ATOM 0 HD3 PRO A 42 12.061 -7.294 0.630 1.00 0.00 H new ATOM 609 N VAL A 43 7.426 -4.393 0.045 1.00 0.00 N ATOM 610 CA VAL A 43 6.084 -4.084 0.523 1.00 0.00 C ATOM 611 C VAL A 43 5.126 -5.239 0.255 1.00 0.00 C ATOM 612 O VAL A 43 4.651 -5.419 -0.867 1.00 0.00 O ATOM 613 CB VAL A 43 5.531 -2.809 -0.143 1.00 0.00 C ATOM 614 CG1 VAL A 43 4.138 -2.494 0.381 1.00 0.00 C ATOM 615 CG2 VAL A 43 6.473 -1.637 0.087 1.00 0.00 C ATOM 0 H VAL A 43 7.704 -3.881 -0.793 1.00 0.00 H new ATOM 0 HA VAL A 43 6.161 -3.920 1.598 1.00 0.00 H new ATOM 0 HB VAL A 43 5.459 -2.983 -1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.764 -1.591 -0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.470 -3.326 0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.181 -2.339 1.459 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.067 -0.745 -0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.579 -1.460 1.157 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.449 -1.865 -0.341 1.00 0.00 H new ATOM 625 N ILE A 44 4.845 -6.020 1.293 1.00 0.00 N ATOM 626 CA ILE A 44 3.942 -7.158 1.171 1.00 0.00 C ATOM 627 C ILE A 44 2.635 -6.904 1.914 1.00 0.00 C ATOM 628 O ILE A 44 2.632 -6.376 3.025 1.00 0.00 O ATOM 629 CB ILE A 44 4.586 -8.448 1.713 1.00 0.00 C ATOM 630 CG1 ILE A 44 6.030 -8.569 1.222 1.00 0.00 C ATOM 631 CG2 ILE A 44 3.773 -9.663 1.289 1.00 0.00 C ATOM 632 CD1 ILE A 44 6.150 -8.678 -0.282 1.00 0.00 C ATOM 0 H ILE A 44 5.230 -5.885 2.228 1.00 0.00 H new ATOM 0 HA ILE A 44 3.734 -7.284 0.108 1.00 0.00 H new ATOM 0 HB ILE A 44 4.596 -8.402 2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.595 -7.701 1.561 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.488 -9.446 1.679 1.00 0.00 H new ATOM 0 HG21 ILE A 44 4.240 -10.567 1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.760 -9.579 1.683 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.736 -9.714 0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.201 -8.761 -0.558 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.614 -9.562 -0.627 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.722 -7.790 -0.747 1.00 0.00 H new ATOM 644 N VAL A 45 1.524 -7.287 1.292 1.00 0.00 N ATOM 645 CA VAL A 45 0.209 -7.104 1.895 1.00 0.00 C ATOM 646 C VAL A 45 0.179 -7.642 3.321 1.00 0.00 C ATOM 647 O VAL A 45 0.660 -8.742 3.591 1.00 0.00 O ATOM 648 CB VAL A 45 -0.889 -7.803 1.071 1.00 0.00 C ATOM 649 CG1 VAL A 45 -2.247 -7.628 1.733 1.00 0.00 C ATOM 650 CG2 VAL A 45 -0.907 -7.268 -0.353 1.00 0.00 C ATOM 0 H VAL A 45 1.509 -7.726 0.371 1.00 0.00 H new ATOM 0 HA VAL A 45 0.014 -6.032 1.910 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.667 -8.869 1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.010 -8.128 1.136 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.224 -8.064 2.732 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.482 -6.566 1.806 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.688 -7.772 -0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.105 -6.196 -0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.059 -7.451 -0.823 1.00 0.00 H new ATOM 660 N SER A 46 -0.391 -6.858 4.231 1.00 0.00 N ATOM 661 CA SER A 46 -0.482 -7.254 5.632 1.00 0.00 C ATOM 662 C SER A 46 -1.761 -8.043 5.892 1.00 0.00 C ATOM 663 O SER A 46 -1.716 -9.201 6.307 1.00 0.00 O ATOM 664 CB SER A 46 -0.437 -6.021 6.536 1.00 0.00 C ATOM 665 OG SER A 46 -0.264 -6.390 7.893 1.00 0.00 O ATOM 0 H SER A 46 -0.797 -5.945 4.023 1.00 0.00 H new ATOM 0 HA SER A 46 0.371 -7.894 5.859 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.379 -5.369 6.226 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.360 -5.451 6.426 1.00 0.00 H new ATOM 0 HG SER A 46 -0.237 -5.584 8.450 1.00 0.00 H new ATOM 671 N ARG A 47 -2.902 -7.408 5.643 1.00 0.00 N ATOM 672 CA ARG A 47 -4.195 -8.049 5.851 1.00 0.00 C ATOM 673 C ARG A 47 -5.210 -7.571 4.817 1.00 0.00 C ATOM 674 O ARG A 47 -5.110 -6.459 4.300 1.00 0.00 O ATOM 675 CB ARG A 47 -4.711 -7.757 7.262 1.00 0.00 C ATOM 676 CG ARG A 47 -5.966 -8.535 7.623 1.00 0.00 C ATOM 677 CD ARG A 47 -5.630 -9.926 8.140 1.00 0.00 C ATOM 678 NE ARG A 47 -4.878 -9.878 9.391 1.00 0.00 N ATOM 679 CZ ARG A 47 -4.673 -10.937 10.166 1.00 0.00 C ATOM 680 NH1 ARG A 47 -5.160 -12.121 9.819 1.00 0.00 N ATOM 681 NH2 ARG A 47 -3.978 -10.814 11.290 1.00 0.00 N ATOM 0 H ARG A 47 -2.957 -6.450 5.297 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.063 -9.125 5.735 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.928 -7.992 7.982 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.916 -6.690 7.351 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.528 -7.990 8.381 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.609 -8.617 6.747 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.551 -10.488 8.292 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.050 -10.462 7.389 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.489 -8.982 9.686 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.693 -12.220 8.955 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.001 -12.933 10.416 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.601 -9.905 11.559 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.821 -11.628 11.884 1.00 0.00 H new ATOM 695 N VAL A 48 -6.188 -8.421 4.520 1.00 0.00 N ATOM 696 CA VAL A 48 -7.223 -8.087 3.549 1.00 0.00 C ATOM 697 C VAL A 48 -8.596 -8.541 4.030 1.00 0.00 C ATOM 698 O VAL A 48 -8.797 -9.712 4.352 1.00 0.00 O ATOM 699 CB VAL A 48 -6.934 -8.727 2.178 1.00 0.00 C ATOM 700 CG1 VAL A 48 -7.928 -8.234 1.138 1.00 0.00 C ATOM 701 CG2 VAL A 48 -5.506 -8.434 1.744 1.00 0.00 C ATOM 0 H VAL A 48 -6.285 -9.346 4.938 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.219 -7.002 3.444 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.047 -9.807 2.270 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.708 -8.697 0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.939 -8.500 1.446 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.850 -7.151 1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.319 -8.894 0.773 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.363 -7.356 1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.812 -8.842 2.478 1.00 0.00 H new ATOM 711 N ALA A 49 -9.540 -7.606 4.077 1.00 0.00 N ATOM 712 CA ALA A 49 -10.896 -7.911 4.516 1.00 0.00 C ATOM 713 C ALA A 49 -11.804 -8.212 3.329 1.00 0.00 C ATOM 714 O ALA A 49 -11.588 -7.735 2.215 1.00 0.00 O ATOM 715 CB ALA A 49 -11.458 -6.757 5.333 1.00 0.00 C ATOM 0 H ALA A 49 -9.390 -6.631 3.816 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.856 -8.801 5.143 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -12.471 -6.998 5.654 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.830 -6.591 6.208 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -11.476 -5.854 4.723 1.00 0.00 H new ATOM 721 N PRO A 50 -12.844 -9.024 3.569 1.00 0.00 N ATOM 722 CA PRO A 50 -13.805 -9.408 2.531 1.00 0.00 C ATOM 723 C PRO A 50 -14.688 -8.242 2.100 1.00 0.00 C ATOM 724 O PRO A 50 -14.641 -7.163 2.689 1.00 0.00 O ATOM 725 CB PRO A 50 -14.645 -10.493 3.208 1.00 0.00 C ATOM 726 CG PRO A 50 -14.538 -10.201 4.665 1.00 0.00 C ATOM 727 CD PRO A 50 -13.162 -9.630 4.873 1.00 0.00 C ATOM 0 HA PRO A 50 -13.309 -9.741 1.620 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -15.681 -10.458 2.872 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -14.268 -11.489 2.975 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -15.306 -9.494 4.979 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -14.678 -11.106 5.256 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -13.151 -8.890 5.673 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.443 -10.403 5.143 1.00 0.00 H new ATOM 735 N GLY A 51 -15.495 -8.467 1.067 1.00 0.00 N ATOM 736 CA GLY A 51 -16.379 -7.426 0.575 1.00 0.00 C ATOM 737 C GLY A 51 -15.677 -6.090 0.433 1.00 0.00 C ATOM 738 O GLY A 51 -16.230 -5.048 0.789 1.00 0.00 O ATOM 0 H GLY A 51 -15.552 -9.352 0.562 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -16.785 -7.725 -0.392 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.224 -7.319 1.256 1.00 0.00 H new ATOM 742 N THR A 52 -14.454 -6.117 -0.087 1.00 0.00 N ATOM 743 CA THR A 52 -13.675 -4.900 -0.272 1.00 0.00 C ATOM 744 C THR A 52 -13.376 -4.657 -1.748 1.00 0.00 C ATOM 745 O THR A 52 -13.347 -5.582 -2.560 1.00 0.00 O ATOM 746 CB THR A 52 -12.346 -4.959 0.505 1.00 0.00 C ATOM 747 OG1 THR A 52 -11.704 -6.220 0.282 1.00 0.00 O ATOM 748 CG2 THR A 52 -12.582 -4.761 1.995 1.00 0.00 C ATOM 0 H THR A 52 -13.982 -6.970 -0.388 1.00 0.00 H new ATOM 0 HA THR A 52 -14.278 -4.078 0.115 1.00 0.00 H new ATOM 0 HB THR A 52 -11.703 -4.156 0.145 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.004 -6.864 0.957 1.00 0.00 H new ATOM 0 HG21 THR A 52 -11.630 -4.807 2.523 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.045 -3.789 2.164 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.241 -5.546 2.366 1.00 0.00 H new ATOM 756 N PRO A 53 -13.148 -3.384 -2.104 1.00 0.00 N ATOM 757 CA PRO A 53 -12.846 -2.991 -3.484 1.00 0.00 C ATOM 758 C PRO A 53 -11.469 -3.467 -3.935 1.00 0.00 C ATOM 759 O PRO A 53 -11.063 -3.232 -5.072 1.00 0.00 O ATOM 760 CB PRO A 53 -12.894 -1.462 -3.435 1.00 0.00 C ATOM 761 CG PRO A 53 -12.589 -1.118 -2.018 1.00 0.00 C ATOM 762 CD PRO A 53 -13.166 -2.232 -1.189 1.00 0.00 C ATOM 0 HA PRO A 53 -13.545 -3.431 -4.195 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.165 -1.021 -4.115 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.874 -1.087 -3.731 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.514 -1.030 -1.860 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.030 -0.159 -1.745 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.569 -2.419 -0.296 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -14.177 -2.001 -0.854 1.00 0.00 H new ATOM 770 N ALA A 54 -10.757 -4.138 -3.035 1.00 0.00 N ATOM 771 CA ALA A 54 -9.427 -4.649 -3.342 1.00 0.00 C ATOM 772 C ALA A 54 -9.445 -6.165 -3.501 1.00 0.00 C ATOM 773 O ALA A 54 -8.616 -6.734 -4.213 1.00 0.00 O ATOM 774 CB ALA A 54 -8.442 -4.242 -2.256 1.00 0.00 C ATOM 0 H ALA A 54 -11.079 -4.340 -2.088 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.107 -4.214 -4.289 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.453 -4.630 -2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.399 -3.155 -2.192 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.767 -4.649 -1.299 1.00 0.00 H new ATOM 780 N ASP A 55 -10.393 -6.814 -2.835 1.00 0.00 N ATOM 781 CA ASP A 55 -10.519 -8.266 -2.903 1.00 0.00 C ATOM 782 C ASP A 55 -11.463 -8.677 -4.029 1.00 0.00 C ATOM 783 O ASP A 55 -11.111 -9.492 -4.883 1.00 0.00 O ATOM 784 CB ASP A 55 -11.024 -8.819 -1.570 1.00 0.00 C ATOM 785 CG ASP A 55 -10.628 -10.266 -1.356 1.00 0.00 C ATOM 786 OD1 ASP A 55 -11.397 -11.159 -1.771 1.00 0.00 O ATOM 787 OD2 ASP A 55 -9.550 -10.507 -0.775 1.00 0.00 O ATOM 0 H ASP A 55 -11.086 -6.358 -2.241 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.533 -8.682 -3.109 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.628 -8.213 -0.755 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -12.110 -8.733 -1.533 1.00 0.00 H new ATOM 792 N LEU A 56 -12.664 -8.109 -4.024 1.00 0.00 N ATOM 793 CA LEU A 56 -13.660 -8.417 -5.044 1.00 0.00 C ATOM 794 C LEU A 56 -13.079 -8.241 -6.443 1.00 0.00 C ATOM 795 O LEU A 56 -13.373 -9.020 -7.351 1.00 0.00 O ATOM 796 CB LEU A 56 -14.888 -7.520 -4.873 1.00 0.00 C ATOM 797 CG LEU A 56 -15.544 -7.538 -3.492 1.00 0.00 C ATOM 798 CD1 LEU A 56 -16.290 -6.237 -3.239 1.00 0.00 C ATOM 799 CD2 LEU A 56 -16.485 -8.727 -3.364 1.00 0.00 C ATOM 0 H LEU A 56 -12.972 -7.433 -3.325 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.958 -9.458 -4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.599 -6.494 -5.103 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.634 -7.814 -5.612 1.00 0.00 H new ATOM 0 HG LEU A 56 -14.761 -7.637 -2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -16.751 -6.268 -2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -15.591 -5.402 -3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -17.063 -6.108 -3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -16.943 -8.724 -2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -17.263 -8.659 -4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.924 -9.651 -3.501 1.00 0.00 H new ATOM 811 N CYS A 57 -12.252 -7.215 -6.610 1.00 0.00 N ATOM 812 CA CYS A 57 -11.628 -6.937 -7.899 1.00 0.00 C ATOM 813 C CYS A 57 -10.734 -8.095 -8.330 1.00 0.00 C ATOM 814 O CYS A 57 -10.296 -8.896 -7.504 1.00 0.00 O ATOM 815 CB CYS A 57 -10.812 -5.646 -7.827 1.00 0.00 C ATOM 816 SG CYS A 57 -9.273 -5.796 -6.890 1.00 0.00 S ATOM 0 H CYS A 57 -11.998 -6.562 -5.869 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.419 -6.816 -8.639 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.577 -5.320 -8.840 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.425 -4.866 -7.375 1.00 0.00 H new ATOM 0 HG CYS A 57 -9.482 -6.508 -5.823 1.00 0.00 H new ATOM 822 N VAL A 58 -10.467 -8.178 -9.630 1.00 0.00 N ATOM 823 CA VAL A 58 -9.625 -9.237 -10.171 1.00 0.00 C ATOM 824 C VAL A 58 -8.402 -8.662 -10.877 1.00 0.00 C ATOM 825 O VAL A 58 -8.492 -7.704 -11.646 1.00 0.00 O ATOM 826 CB VAL A 58 -10.405 -10.124 -11.160 1.00 0.00 C ATOM 827 CG1 VAL A 58 -9.498 -11.195 -11.747 1.00 0.00 C ATOM 828 CG2 VAL A 58 -11.611 -10.751 -10.477 1.00 0.00 C ATOM 0 H VAL A 58 -10.822 -7.524 -10.327 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.300 -9.845 -9.326 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.764 -9.498 -11.977 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.066 -11.812 -12.443 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -8.670 -10.721 -12.274 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.107 -11.820 -10.945 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.150 -11.374 -11.191 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -11.277 -11.364 -9.640 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -12.271 -9.965 -10.111 1.00 0.00 H new ATOM 838 N PRO A 59 -7.230 -9.258 -10.612 1.00 0.00 N ATOM 839 CA PRO A 59 -7.111 -10.398 -9.699 1.00 0.00 C ATOM 840 C PRO A 59 -7.351 -10.003 -8.245 1.00 0.00 C ATOM 841 O PRO A 59 -6.966 -8.916 -7.816 1.00 0.00 O ATOM 842 CB PRO A 59 -5.665 -10.860 -9.896 1.00 0.00 C ATOM 843 CG PRO A 59 -4.941 -9.648 -10.368 1.00 0.00 C ATOM 844 CD PRO A 59 -5.932 -8.864 -11.184 1.00 0.00 C ATOM 0 HA PRO A 59 -7.852 -11.169 -9.910 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.240 -11.238 -8.966 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.603 -11.667 -10.626 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.576 -9.059 -9.526 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -4.072 -9.921 -10.967 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.764 -7.790 -11.098 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.867 -9.113 -12.243 1.00 0.00 H new ATOM 852 N ARG A 60 -7.989 -10.894 -7.493 1.00 0.00 N ATOM 853 CA ARG A 60 -8.280 -10.638 -6.087 1.00 0.00 C ATOM 854 C ARG A 60 -6.996 -10.389 -5.302 1.00 0.00 C ATOM 855 O ARG A 60 -6.100 -11.234 -5.271 1.00 0.00 O ATOM 856 CB ARG A 60 -9.041 -11.817 -5.479 1.00 0.00 C ATOM 857 CG ARG A 60 -9.087 -11.795 -3.960 1.00 0.00 C ATOM 858 CD ARG A 60 -9.540 -13.132 -3.396 1.00 0.00 C ATOM 859 NE ARG A 60 -9.219 -13.266 -1.978 1.00 0.00 N ATOM 860 CZ ARG A 60 -9.159 -14.432 -1.345 1.00 0.00 C ATOM 861 NH1 ARG A 60 -9.395 -15.559 -2.001 1.00 0.00 N ATOM 862 NH2 ARG A 60 -8.860 -14.472 -0.052 1.00 0.00 N ATOM 0 H ARG A 60 -8.314 -11.799 -7.833 1.00 0.00 H new ATOM 0 HA ARG A 60 -8.901 -9.744 -6.028 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.060 -11.818 -5.865 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.575 -12.747 -5.806 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.100 -11.550 -3.569 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.766 -11.010 -3.627 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.616 -13.238 -3.535 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.065 -13.940 -3.953 1.00 0.00 H new ATOM 0 HE ARG A 60 -9.030 -12.418 -1.444 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.623 -15.532 -2.995 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.348 -16.453 -1.512 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.676 -13.607 0.456 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.814 -15.368 0.433 1.00 0.00 H new ATOM 876 N LEU A 61 -6.912 -9.223 -4.670 1.00 0.00 N ATOM 877 CA LEU A 61 -5.736 -8.862 -3.885 1.00 0.00 C ATOM 878 C LEU A 61 -5.678 -9.666 -2.591 1.00 0.00 C ATOM 879 O LEU A 61 -6.420 -9.398 -1.647 1.00 0.00 O ATOM 880 CB LEU A 61 -5.751 -7.365 -3.569 1.00 0.00 C ATOM 881 CG LEU A 61 -4.490 -6.807 -2.908 1.00 0.00 C ATOM 882 CD1 LEU A 61 -3.326 -6.814 -3.887 1.00 0.00 C ATOM 883 CD2 LEU A 61 -4.740 -5.400 -2.385 1.00 0.00 C ATOM 0 H LEU A 61 -7.643 -8.512 -4.686 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.849 -9.094 -4.475 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.923 -6.820 -4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.600 -7.160 -2.917 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.232 -7.447 -2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.438 -6.413 -3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.131 -7.836 -4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.574 -6.198 -4.751 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.832 -5.019 -1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.023 -4.749 -3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.544 -5.423 -1.650 1.00 0.00 H new ATOM 895 N ASN A 62 -4.788 -10.653 -2.553 1.00 0.00 N ATOM 896 CA ASN A 62 -4.631 -11.496 -1.373 1.00 0.00 C ATOM 897 C ASN A 62 -3.253 -11.305 -0.748 1.00 0.00 C ATOM 898 O ASN A 62 -2.359 -10.723 -1.360 1.00 0.00 O ATOM 899 CB ASN A 62 -4.838 -12.967 -1.741 1.00 0.00 C ATOM 900 CG ASN A 62 -4.231 -13.318 -3.085 1.00 0.00 C ATOM 901 OD1 ASN A 62 -4.787 -12.991 -4.134 1.00 0.00 O ATOM 902 ND2 ASN A 62 -3.084 -13.987 -3.060 1.00 0.00 N ATOM 0 H ASN A 62 -4.165 -10.888 -3.325 1.00 0.00 H new ATOM 0 HA ASN A 62 -5.385 -11.202 -0.643 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.395 -13.597 -0.970 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.905 -13.187 -1.759 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.628 -14.251 -3.934 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.659 -14.237 -2.167 1.00 0.00 H new ATOM 909 N GLU A 63 -3.090 -11.802 0.475 1.00 0.00 N ATOM 910 CA GLU A 63 -1.820 -11.685 1.182 1.00 0.00 C ATOM 911 C GLU A 63 -0.683 -12.290 0.363 1.00 0.00 C ATOM 912 O GLU A 63 -0.884 -13.241 -0.390 1.00 0.00 O ATOM 913 CB GLU A 63 -1.905 -12.376 2.545 1.00 0.00 C ATOM 914 CG GLU A 63 -2.749 -11.621 3.558 1.00 0.00 C ATOM 915 CD GLU A 63 -2.856 -12.348 4.885 1.00 0.00 C ATOM 916 OE1 GLU A 63 -1.806 -12.585 5.517 1.00 0.00 O ATOM 917 OE2 GLU A 63 -3.990 -12.679 5.291 1.00 0.00 O ATOM 0 H GLU A 63 -3.820 -12.288 0.995 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.613 -10.625 1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.320 -13.375 2.411 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.898 -12.500 2.944 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.316 -10.634 3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.748 -11.467 3.150 1.00 0.00 H new ATOM 924 N GLY A 64 0.513 -11.729 0.517 1.00 0.00 N ATOM 925 CA GLY A 64 1.664 -12.225 -0.214 1.00 0.00 C ATOM 926 C GLY A 64 2.048 -11.323 -1.370 1.00 0.00 C ATOM 927 O GLY A 64 3.231 -11.077 -1.607 1.00 0.00 O ATOM 0 H GLY A 64 0.705 -10.940 1.135 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.510 -12.319 0.467 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.447 -13.224 -0.593 1.00 0.00 H new ATOM 931 N ASP A 65 1.048 -10.831 -2.092 1.00 0.00 N ATOM 932 CA ASP A 65 1.287 -9.951 -3.231 1.00 0.00 C ATOM 933 C ASP A 65 2.363 -8.921 -2.905 1.00 0.00 C ATOM 934 O ASP A 65 2.192 -8.094 -2.009 1.00 0.00 O ATOM 935 CB ASP A 65 -0.007 -9.245 -3.637 1.00 0.00 C ATOM 936 CG ASP A 65 -0.944 -10.153 -4.409 1.00 0.00 C ATOM 937 OD1 ASP A 65 -0.449 -10.986 -5.196 1.00 0.00 O ATOM 938 OD2 ASP A 65 -2.174 -10.030 -4.226 1.00 0.00 O ATOM 0 H ASP A 65 0.064 -11.026 -1.909 1.00 0.00 H new ATOM 0 HA ASP A 65 1.635 -10.562 -4.064 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.514 -8.880 -2.744 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.234 -8.374 -4.246 1.00 0.00 H new ATOM 943 N GLN A 66 3.471 -8.977 -3.637 1.00 0.00 N ATOM 944 CA GLN A 66 4.576 -8.049 -3.423 1.00 0.00 C ATOM 945 C GLN A 66 4.435 -6.821 -4.316 1.00 0.00 C ATOM 946 O GLN A 66 4.624 -6.898 -5.530 1.00 0.00 O ATOM 947 CB GLN A 66 5.912 -8.743 -3.696 1.00 0.00 C ATOM 948 CG GLN A 66 7.102 -7.797 -3.683 1.00 0.00 C ATOM 949 CD GLN A 66 8.230 -8.265 -4.580 1.00 0.00 C ATOM 950 OE1 GLN A 66 7.997 -8.747 -5.690 1.00 0.00 O ATOM 951 NE2 GLN A 66 9.462 -8.127 -4.104 1.00 0.00 N ATOM 0 H GLN A 66 3.628 -9.655 -4.383 1.00 0.00 H new ATOM 0 HA GLN A 66 4.549 -7.724 -2.383 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.068 -9.520 -2.948 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.863 -9.239 -4.665 1.00 0.00 H new ATOM 0 HG2 GLN A 66 6.777 -6.806 -4.001 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.472 -7.699 -2.662 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.609 -7.723 -3.179 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.261 -8.425 -4.663 1.00 0.00 H new ATOM 960 N VAL A 67 4.101 -5.688 -3.707 1.00 0.00 N ATOM 961 CA VAL A 67 3.935 -4.442 -4.447 1.00 0.00 C ATOM 962 C VAL A 67 5.252 -3.996 -5.073 1.00 0.00 C ATOM 963 O VAL A 67 6.147 -3.510 -4.382 1.00 0.00 O ATOM 964 CB VAL A 67 3.404 -3.317 -3.539 1.00 0.00 C ATOM 965 CG1 VAL A 67 3.254 -2.023 -4.325 1.00 0.00 C ATOM 966 CG2 VAL A 67 2.080 -3.723 -2.908 1.00 0.00 C ATOM 0 H VAL A 67 3.940 -5.607 -2.703 1.00 0.00 H new ATOM 0 HA VAL A 67 3.208 -4.636 -5.236 1.00 0.00 H new ATOM 0 HB VAL A 67 4.125 -3.147 -2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.878 -1.239 -3.667 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.223 -1.726 -4.726 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.553 -2.175 -5.146 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.719 -2.917 -2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.349 -3.920 -3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.223 -4.623 -2.310 1.00 0.00 H new ATOM 976 N VAL A 68 5.362 -4.163 -6.387 1.00 0.00 N ATOM 977 CA VAL A 68 6.569 -3.776 -7.108 1.00 0.00 C ATOM 978 C VAL A 68 6.631 -2.265 -7.305 1.00 0.00 C ATOM 979 O VAL A 68 7.665 -1.639 -7.070 1.00 0.00 O ATOM 980 CB VAL A 68 6.647 -4.466 -8.483 1.00 0.00 C ATOM 981 CG1 VAL A 68 7.935 -4.087 -9.198 1.00 0.00 C ATOM 982 CG2 VAL A 68 6.537 -5.975 -8.328 1.00 0.00 C ATOM 0 H VAL A 68 4.630 -4.564 -6.974 1.00 0.00 H new ATOM 0 HA VAL A 68 7.416 -4.095 -6.501 1.00 0.00 H new ATOM 0 HB VAL A 68 5.809 -4.124 -9.090 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.973 -4.584 -10.167 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.967 -3.007 -9.342 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.790 -4.398 -8.597 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.594 -6.447 -9.309 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.354 -6.337 -7.703 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.584 -6.224 -7.860 1.00 0.00 H new ATOM 992 N LEU A 69 5.517 -1.685 -7.739 1.00 0.00 N ATOM 993 CA LEU A 69 5.443 -0.246 -7.967 1.00 0.00 C ATOM 994 C LEU A 69 4.010 0.256 -7.817 1.00 0.00 C ATOM 995 O LEU A 69 3.064 -0.394 -8.264 1.00 0.00 O ATOM 996 CB LEU A 69 5.971 0.096 -9.361 1.00 0.00 C ATOM 997 CG LEU A 69 7.484 -0.019 -9.552 1.00 0.00 C ATOM 998 CD1 LEU A 69 7.850 0.129 -11.021 1.00 0.00 C ATOM 999 CD2 LEU A 69 8.208 1.024 -8.713 1.00 0.00 C ATOM 0 H LEU A 69 4.653 -2.189 -7.940 1.00 0.00 H new ATOM 0 HA LEU A 69 6.062 0.248 -7.218 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.483 -0.558 -10.083 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.671 1.116 -9.601 1.00 0.00 H new ATOM 0 HG LEU A 69 7.799 -1.008 -9.218 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.930 0.044 -11.137 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.360 -0.655 -11.599 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.522 1.104 -11.381 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.284 0.928 -8.861 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.888 2.021 -9.016 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.972 0.872 -7.660 1.00 0.00 H new ATOM 1011 N ILE A 70 3.859 1.416 -7.187 1.00 0.00 N ATOM 1012 CA ILE A 70 2.543 2.007 -6.981 1.00 0.00 C ATOM 1013 C ILE A 70 2.339 3.222 -7.879 1.00 0.00 C ATOM 1014 O ILE A 70 3.120 4.172 -7.842 1.00 0.00 O ATOM 1015 CB ILE A 70 2.337 2.427 -5.514 1.00 0.00 C ATOM 1016 CG1 ILE A 70 2.554 1.231 -4.583 1.00 0.00 C ATOM 1017 CG2 ILE A 70 0.946 3.011 -5.319 1.00 0.00 C ATOM 1018 CD1 ILE A 70 2.781 1.623 -3.140 1.00 0.00 C ATOM 0 H ILE A 70 4.632 1.965 -6.810 1.00 0.00 H new ATOM 0 HA ILE A 70 1.811 1.242 -7.237 1.00 0.00 H new ATOM 0 HB ILE A 70 3.069 3.195 -5.266 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.686 0.574 -4.640 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.412 0.658 -4.935 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.817 3.303 -4.277 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.826 3.886 -5.958 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.197 2.264 -5.582 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.927 0.726 -2.538 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.666 2.256 -3.070 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.914 2.170 -2.771 1.00 0.00 H new ATOM 1030 N ASN A 71 1.282 3.185 -8.684 1.00 0.00 N ATOM 1031 CA ASN A 71 0.973 4.285 -9.591 1.00 0.00 C ATOM 1032 C ASN A 71 2.177 4.622 -10.466 1.00 0.00 C ATOM 1033 O ASN A 71 2.390 5.778 -10.828 1.00 0.00 O ATOM 1034 CB ASN A 71 0.542 5.521 -8.800 1.00 0.00 C ATOM 1035 CG ASN A 71 -0.908 5.450 -8.362 1.00 0.00 C ATOM 1036 OD1 ASN A 71 -1.763 4.943 -9.087 1.00 0.00 O ATOM 1037 ND2 ASN A 71 -1.191 5.960 -7.169 1.00 0.00 N ATOM 0 H ASN A 71 0.625 2.406 -8.727 1.00 0.00 H new ATOM 0 HA ASN A 71 0.153 3.971 -10.236 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.179 5.628 -7.922 1.00 0.00 H new ATOM 0 HB3 ASN A 71 0.691 6.411 -9.412 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.149 5.941 -6.821 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.450 6.371 -6.601 1.00 0.00 H new ATOM 1044 N GLY A 72 2.961 3.602 -10.803 1.00 0.00 N ATOM 1045 CA GLY A 72 4.133 3.810 -11.633 1.00 0.00 C ATOM 1046 C GLY A 72 5.177 4.676 -10.956 1.00 0.00 C ATOM 1047 O GLY A 72 5.881 5.442 -11.614 1.00 0.00 O ATOM 0 H GLY A 72 2.805 2.636 -10.516 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.573 2.845 -11.883 1.00 0.00 H new ATOM 0 HA3 GLY A 72 3.832 4.276 -12.571 1.00 0.00 H new ATOM 1051 N ARG A 73 5.277 4.556 -9.636 1.00 0.00 N ATOM 1052 CA ARG A 73 6.241 5.336 -8.869 1.00 0.00 C ATOM 1053 C ARG A 73 7.042 4.440 -7.929 1.00 0.00 C ATOM 1054 O ARG A 73 6.478 3.603 -7.223 1.00 0.00 O ATOM 1055 CB ARG A 73 5.524 6.424 -8.066 1.00 0.00 C ATOM 1056 CG ARG A 73 4.920 7.520 -8.928 1.00 0.00 C ATOM 1057 CD ARG A 73 4.652 8.780 -8.121 1.00 0.00 C ATOM 1058 NE ARG A 73 5.885 9.388 -7.629 1.00 0.00 N ATOM 1059 CZ ARG A 73 5.941 10.595 -7.077 1.00 0.00 C ATOM 1060 NH1 ARG A 73 4.838 11.319 -6.948 1.00 0.00 N ATOM 1061 NH2 ARG A 73 7.101 11.079 -6.653 1.00 0.00 N ATOM 0 H ARG A 73 4.702 3.926 -9.076 1.00 0.00 H new ATOM 0 HA ARG A 73 6.931 5.805 -9.570 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.734 5.964 -7.472 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.230 6.872 -7.366 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.596 7.751 -9.751 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.989 7.165 -9.370 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.115 9.499 -8.740 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.005 8.539 -7.277 1.00 0.00 H new ATOM 0 HE ARG A 73 6.751 8.856 -7.714 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.944 10.949 -7.273 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.883 12.246 -6.524 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.951 10.524 -6.751 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.143 12.006 -6.229 1.00 0.00 H new ATOM 1075 N ASP A 74 8.358 4.620 -7.927 1.00 0.00 N ATOM 1076 CA ASP A 74 9.237 3.828 -7.075 1.00 0.00 C ATOM 1077 C ASP A 74 8.843 3.969 -5.608 1.00 0.00 C ATOM 1078 O ASP A 74 8.936 5.054 -5.032 1.00 0.00 O ATOM 1079 CB ASP A 74 10.692 4.256 -7.268 1.00 0.00 C ATOM 1080 CG ASP A 74 10.960 5.652 -6.742 1.00 0.00 C ATOM 1081 OD1 ASP A 74 10.349 6.609 -7.261 1.00 0.00 O ATOM 1082 OD2 ASP A 74 11.782 5.788 -5.811 1.00 0.00 O ATOM 0 H ASP A 74 8.840 5.308 -8.506 1.00 0.00 H new ATOM 0 HA ASP A 74 9.134 2.782 -7.362 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.346 3.548 -6.760 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.942 4.216 -8.328 1.00 0.00 H new ATOM 1087 N ILE A 75 8.402 2.868 -5.010 1.00 0.00 N ATOM 1088 CA ILE A 75 7.994 2.870 -3.610 1.00 0.00 C ATOM 1089 C ILE A 75 8.883 1.953 -2.777 1.00 0.00 C ATOM 1090 O ILE A 75 8.883 2.021 -1.548 1.00 0.00 O ATOM 1091 CB ILE A 75 6.527 2.428 -3.451 1.00 0.00 C ATOM 1092 CG1 ILE A 75 6.356 0.977 -3.906 1.00 0.00 C ATOM 1093 CG2 ILE A 75 5.608 3.348 -4.240 1.00 0.00 C ATOM 1094 CD1 ILE A 75 6.569 -0.032 -2.800 1.00 0.00 C ATOM 0 H ILE A 75 8.318 1.963 -5.473 1.00 0.00 H new ATOM 0 HA ILE A 75 8.097 3.894 -3.252 1.00 0.00 H new ATOM 0 HB ILE A 75 6.256 2.493 -2.397 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.354 0.849 -4.316 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.059 0.773 -4.714 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.575 3.023 -4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.713 4.369 -3.873 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.877 3.313 -5.296 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.432 -1.039 -3.195 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.580 0.069 -2.406 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.849 0.146 -2.002 1.00 0.00 H new ATOM 1106 N ALA A 76 9.641 1.097 -3.455 1.00 0.00 N ATOM 1107 CA ALA A 76 10.538 0.169 -2.778 1.00 0.00 C ATOM 1108 C ALA A 76 11.729 0.902 -2.169 1.00 0.00 C ATOM 1109 O ALA A 76 12.478 0.335 -1.375 1.00 0.00 O ATOM 1110 CB ALA A 76 11.015 -0.905 -3.745 1.00 0.00 C ATOM 0 H ALA A 76 9.651 1.027 -4.473 1.00 0.00 H new ATOM 0 HA ALA A 76 9.985 -0.307 -1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.684 -1.591 -3.226 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.157 -1.456 -4.129 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.546 -0.438 -4.574 1.00 0.00 H new ATOM 1116 N GLU A 77 11.897 2.165 -2.548 1.00 0.00 N ATOM 1117 CA GLU A 77 12.999 2.974 -2.040 1.00 0.00 C ATOM 1118 C GLU A 77 12.511 3.946 -0.969 1.00 0.00 C ATOM 1119 O GLU A 77 13.305 4.653 -0.348 1.00 0.00 O ATOM 1120 CB GLU A 77 13.662 3.747 -3.181 1.00 0.00 C ATOM 1121 CG GLU A 77 14.562 2.889 -4.054 1.00 0.00 C ATOM 1122 CD GLU A 77 15.934 2.674 -3.444 1.00 0.00 C ATOM 1123 OE1 GLU A 77 16.536 3.664 -2.977 1.00 0.00 O ATOM 1124 OE2 GLU A 77 16.405 1.518 -3.434 1.00 0.00 O ATOM 0 H GLU A 77 11.285 2.650 -3.204 1.00 0.00 H new ATOM 0 HA GLU A 77 13.732 2.303 -1.592 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.887 4.196 -3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 77 14.248 4.565 -2.762 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.087 1.922 -4.220 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.672 3.361 -5.030 1.00 0.00 H new ATOM 1131 N HIS A 78 11.199 3.976 -0.759 1.00 0.00 N ATOM 1132 CA HIS A 78 10.604 4.861 0.237 1.00 0.00 C ATOM 1133 C HIS A 78 10.304 4.103 1.527 1.00 0.00 C ATOM 1134 O HIS A 78 10.269 2.872 1.543 1.00 0.00 O ATOM 1135 CB HIS A 78 9.321 5.489 -0.309 1.00 0.00 C ATOM 1136 CG HIS A 78 9.562 6.693 -1.167 1.00 0.00 C ATOM 1137 ND1 HIS A 78 8.683 7.753 -1.238 1.00 0.00 N ATOM 1138 CD2 HIS A 78 10.591 7.002 -1.990 1.00 0.00 C ATOM 1139 CE1 HIS A 78 9.160 8.662 -2.070 1.00 0.00 C ATOM 1140 NE2 HIS A 78 10.317 8.230 -2.540 1.00 0.00 N ATOM 0 H HIS A 78 10.528 3.398 -1.265 1.00 0.00 H new ATOM 0 HA HIS A 78 11.321 5.652 0.459 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.779 4.742 -0.889 1.00 0.00 H new ATOM 0 HB3 HIS A 78 8.680 5.771 0.526 1.00 0.00 H new ATOM 0 HD2 HIS A 78 11.465 6.396 -2.179 1.00 0.00 H new ATOM 0 HE1 HIS A 78 8.685 9.598 -2.323 1.00 0.00 H new ATOM 0 HE2 HIS A 78 10.910 8.728 -3.204 1.00 0.00 H new ATOM 1149 N THR A 79 10.089 4.847 2.608 1.00 0.00 N ATOM 1150 CA THR A 79 9.795 4.246 3.903 1.00 0.00 C ATOM 1151 C THR A 79 8.320 3.878 4.015 1.00 0.00 C ATOM 1152 O THR A 79 7.480 4.408 3.287 1.00 0.00 O ATOM 1153 CB THR A 79 10.165 5.194 5.059 1.00 0.00 C ATOM 1154 OG1 THR A 79 9.865 6.547 4.699 1.00 0.00 O ATOM 1155 CG2 THR A 79 11.641 5.072 5.407 1.00 0.00 C ATOM 0 H THR A 79 10.113 5.867 2.612 1.00 0.00 H new ATOM 0 HA THR A 79 10.399 3.342 3.977 1.00 0.00 H new ATOM 0 HB THR A 79 9.577 4.912 5.933 1.00 0.00 H new ATOM 0 HG1 THR A 79 10.102 7.143 5.440 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.879 5.751 6.226 1.00 0.00 H new ATOM 0 HG22 THR A 79 11.860 4.048 5.709 1.00 0.00 H new ATOM 0 HG23 THR A 79 12.243 5.330 4.536 1.00 0.00 H new ATOM 1163 N HIS A 80 8.011 2.966 4.932 1.00 0.00 N ATOM 1164 CA HIS A 80 6.635 2.528 5.141 1.00 0.00 C ATOM 1165 C HIS A 80 5.680 3.718 5.144 1.00 0.00 C ATOM 1166 O HIS A 80 4.771 3.799 4.318 1.00 0.00 O ATOM 1167 CB HIS A 80 6.517 1.760 6.457 1.00 0.00 C ATOM 1168 CG HIS A 80 5.112 1.367 6.797 1.00 0.00 C ATOM 1169 ND1 HIS A 80 4.696 0.055 6.880 1.00 0.00 N ATOM 1170 CD2 HIS A 80 4.024 2.123 7.078 1.00 0.00 C ATOM 1171 CE1 HIS A 80 3.413 0.021 7.195 1.00 0.00 C ATOM 1172 NE2 HIS A 80 2.982 1.263 7.321 1.00 0.00 N ATOM 0 H HIS A 80 8.694 2.516 5.542 1.00 0.00 H new ATOM 0 HA HIS A 80 6.361 1.868 4.318 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.133 0.863 6.401 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.919 2.373 7.263 1.00 0.00 H new ATOM 0 HD1 HIS A 80 5.286 -0.762 6.723 1.00 0.00 H new ATOM 0 HD2 HIS A 80 3.984 3.202 7.106 1.00 0.00 H new ATOM 0 HE1 HIS A 80 2.818 -0.871 7.327 1.00 0.00 H new ATOM 1181 N ASP A 81 5.892 4.637 6.079 1.00 0.00 N ATOM 1182 CA ASP A 81 5.051 5.823 6.190 1.00 0.00 C ATOM 1183 C ASP A 81 4.859 6.483 4.828 1.00 0.00 C ATOM 1184 O ASP A 81 3.731 6.726 4.399 1.00 0.00 O ATOM 1185 CB ASP A 81 5.666 6.821 7.172 1.00 0.00 C ATOM 1186 CG ASP A 81 6.236 6.146 8.403 1.00 0.00 C ATOM 1187 OD1 ASP A 81 5.470 5.458 9.110 1.00 0.00 O ATOM 1188 OD2 ASP A 81 7.448 6.305 8.660 1.00 0.00 O ATOM 0 H ASP A 81 6.639 4.584 6.771 1.00 0.00 H new ATOM 0 HA ASP A 81 4.075 5.512 6.564 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.455 7.381 6.670 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.907 7.542 7.475 1.00 0.00 H new ATOM 1193 N GLN A 82 5.968 6.770 4.154 1.00 0.00 N ATOM 1194 CA GLN A 82 5.921 7.404 2.841 1.00 0.00 C ATOM 1195 C GLN A 82 4.952 6.672 1.918 1.00 0.00 C ATOM 1196 O GLN A 82 4.159 7.296 1.213 1.00 0.00 O ATOM 1197 CB GLN A 82 7.317 7.433 2.215 1.00 0.00 C ATOM 1198 CG GLN A 82 8.196 8.556 2.741 1.00 0.00 C ATOM 1199 CD GLN A 82 9.476 8.717 1.945 1.00 0.00 C ATOM 1200 OE1 GLN A 82 10.525 8.193 2.321 1.00 0.00 O ATOM 1201 NE2 GLN A 82 9.396 9.444 0.836 1.00 0.00 N ATOM 0 H GLN A 82 6.909 6.574 4.495 1.00 0.00 H new ATOM 0 HA GLN A 82 5.568 8.427 2.971 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.810 6.479 2.402 1.00 0.00 H new ATOM 0 HB3 GLN A 82 7.219 7.535 1.134 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.637 9.492 2.716 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.444 8.360 3.784 1.00 0.00 H new ATOM 0 HE21 GLN A 82 8.506 9.860 0.562 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.225 9.586 0.259 1.00 0.00 H new ATOM 1210 N VAL A 83 5.022 5.345 1.927 1.00 0.00 N ATOM 1211 CA VAL A 83 4.151 4.528 1.091 1.00 0.00 C ATOM 1212 C VAL A 83 2.690 4.692 1.494 1.00 0.00 C ATOM 1213 O VAL A 83 1.818 4.883 0.646 1.00 0.00 O ATOM 1214 CB VAL A 83 4.530 3.037 1.173 1.00 0.00 C ATOM 1215 CG1 VAL A 83 3.524 2.187 0.412 1.00 0.00 C ATOM 1216 CG2 VAL A 83 5.938 2.816 0.642 1.00 0.00 C ATOM 0 H VAL A 83 5.673 4.813 2.504 1.00 0.00 H new ATOM 0 HA VAL A 83 4.283 4.873 0.066 1.00 0.00 H new ATOM 0 HB VAL A 83 4.509 2.731 2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.809 1.137 0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.532 2.323 0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.509 2.490 -0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.190 1.757 0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.989 3.138 -0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.646 3.394 1.236 1.00 0.00 H new ATOM 1226 N VAL A 84 2.429 4.617 2.796 1.00 0.00 N ATOM 1227 CA VAL A 84 1.073 4.760 3.313 1.00 0.00 C ATOM 1228 C VAL A 84 0.490 6.123 2.959 1.00 0.00 C ATOM 1229 O VAL A 84 -0.666 6.228 2.548 1.00 0.00 O ATOM 1230 CB VAL A 84 1.034 4.578 4.842 1.00 0.00 C ATOM 1231 CG1 VAL A 84 -0.365 4.844 5.376 1.00 0.00 C ATOM 1232 CG2 VAL A 84 1.504 3.183 5.225 1.00 0.00 C ATOM 0 H VAL A 84 3.139 4.458 3.511 1.00 0.00 H new ATOM 0 HA VAL A 84 0.472 3.980 2.846 1.00 0.00 H new ATOM 0 HB VAL A 84 1.713 5.301 5.294 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.373 4.711 6.458 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.659 5.865 5.134 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.067 4.147 4.919 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.470 3.072 6.309 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.853 2.440 4.764 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.526 3.035 4.877 1.00 0.00 H new ATOM 1242 N LEU A 85 1.298 7.165 3.119 1.00 0.00 N ATOM 1243 CA LEU A 85 0.863 8.524 2.816 1.00 0.00 C ATOM 1244 C LEU A 85 0.663 8.710 1.315 1.00 0.00 C ATOM 1245 O LEU A 85 -0.251 9.412 0.882 1.00 0.00 O ATOM 1246 CB LEU A 85 1.886 9.536 3.334 1.00 0.00 C ATOM 1247 CG LEU A 85 1.696 10.003 4.778 1.00 0.00 C ATOM 1248 CD1 LEU A 85 0.387 10.764 4.925 1.00 0.00 C ATOM 1249 CD2 LEU A 85 1.737 8.818 5.732 1.00 0.00 C ATOM 0 H LEU A 85 2.258 7.095 3.457 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.091 8.693 3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.880 9.097 3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.863 10.411 2.684 1.00 0.00 H new ATOM 0 HG LEU A 85 2.514 10.676 5.033 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.269 11.088 5.959 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.397 11.635 4.270 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.444 10.114 4.651 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.600 9.169 6.755 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.940 8.119 5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.701 8.316 5.647 1.00 0.00 H new ATOM 1261 N PHE A 86 1.522 8.073 0.526 1.00 0.00 N ATOM 1262 CA PHE A 86 1.439 8.166 -0.927 1.00 0.00 C ATOM 1263 C PHE A 86 0.099 7.637 -1.430 1.00 0.00 C ATOM 1264 O PHE A 86 -0.655 8.354 -2.089 1.00 0.00 O ATOM 1265 CB PHE A 86 2.584 7.386 -1.576 1.00 0.00 C ATOM 1266 CG PHE A 86 2.525 7.372 -3.077 1.00 0.00 C ATOM 1267 CD1 PHE A 86 2.833 8.509 -3.805 1.00 0.00 C ATOM 1268 CD2 PHE A 86 2.162 6.222 -3.758 1.00 0.00 C ATOM 1269 CE1 PHE A 86 2.781 8.500 -5.186 1.00 0.00 C ATOM 1270 CE2 PHE A 86 2.108 6.207 -5.139 1.00 0.00 C ATOM 1271 CZ PHE A 86 2.417 7.348 -5.854 1.00 0.00 C ATOM 0 H PHE A 86 2.283 7.487 0.868 1.00 0.00 H new ATOM 0 HA PHE A 86 1.522 9.217 -1.204 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.533 7.821 -1.262 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.567 6.359 -1.210 1.00 0.00 H new ATOM 0 HD1 PHE A 86 3.117 9.413 -3.288 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.919 5.327 -3.204 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.025 9.393 -5.742 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.824 5.304 -5.659 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.374 7.339 -6.933 1.00 0.00 H new ATOM 1281 N ILE A 87 -0.190 6.379 -1.116 1.00 0.00 N ATOM 1282 CA ILE A 87 -1.438 5.755 -1.536 1.00 0.00 C ATOM 1283 C ILE A 87 -2.633 6.648 -1.221 1.00 0.00 C ATOM 1284 O ILE A 87 -3.599 6.703 -1.982 1.00 0.00 O ATOM 1285 CB ILE A 87 -1.641 4.388 -0.855 1.00 0.00 C ATOM 1286 CG1 ILE A 87 -0.474 3.454 -1.181 1.00 0.00 C ATOM 1287 CG2 ILE A 87 -2.960 3.769 -1.291 1.00 0.00 C ATOM 1288 CD1 ILE A 87 -0.422 2.223 -0.303 1.00 0.00 C ATOM 0 H ILE A 87 0.423 5.772 -0.572 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.370 5.609 -2.614 1.00 0.00 H new ATOM 0 HB ILE A 87 -1.672 4.537 0.224 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.547 3.144 -2.223 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.461 4.004 -1.077 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.088 2.804 -0.801 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.781 4.429 -1.013 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.957 3.630 -2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.430 1.607 -0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.317 2.524 0.739 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.341 1.650 -0.425 1.00 0.00 H new ATOM 1300 N LYS A 88 -2.560 7.350 -0.095 1.00 0.00 N ATOM 1301 CA LYS A 88 -3.634 8.245 0.321 1.00 0.00 C ATOM 1302 C LYS A 88 -3.751 9.432 -0.630 1.00 0.00 C ATOM 1303 O LYS A 88 -4.853 9.848 -0.985 1.00 0.00 O ATOM 1304 CB LYS A 88 -3.387 8.742 1.747 1.00 0.00 C ATOM 1305 CG LYS A 88 -3.221 7.623 2.761 1.00 0.00 C ATOM 1306 CD LYS A 88 -4.554 7.221 3.371 1.00 0.00 C ATOM 1307 CE LYS A 88 -4.519 5.794 3.896 1.00 0.00 C ATOM 1308 NZ LYS A 88 -5.887 5.236 4.077 1.00 0.00 N ATOM 0 H LYS A 88 -1.768 7.316 0.546 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.570 7.687 0.294 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.492 9.365 1.756 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.220 9.376 2.051 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.765 6.758 2.279 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.541 7.944 3.550 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.804 7.903 4.184 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.341 7.315 2.623 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.959 5.166 3.203 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.988 5.770 4.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.820 4.262 4.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.413 5.821 4.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.385 5.235 3.164 1.00 0.00 H new ATOM 1322 N ALA A 89 -2.607 9.971 -1.039 1.00 0.00 N ATOM 1323 CA ALA A 89 -2.582 11.108 -1.951 1.00 0.00 C ATOM 1324 C ALA A 89 -3.666 10.981 -3.016 1.00 0.00 C ATOM 1325 O ALA A 89 -4.285 11.971 -3.407 1.00 0.00 O ATOM 1326 CB ALA A 89 -1.213 11.233 -2.602 1.00 0.00 C ATOM 0 H ALA A 89 -1.686 9.639 -0.753 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.781 12.010 -1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -1.209 12.086 -3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.456 11.379 -1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.992 10.324 -3.161 1.00 0.00 H new ATOM 1429 N GLU A 97 -8.825 5.931 -10.468 1.00 0.00 N ATOM 1430 CA GLU A 97 -8.709 4.638 -9.804 1.00 0.00 C ATOM 1431 C GLU A 97 -7.271 4.381 -9.360 1.00 0.00 C ATOM 1432 O GLU A 97 -6.340 5.046 -9.817 1.00 0.00 O ATOM 1433 CB GLU A 97 -9.173 3.517 -10.737 1.00 0.00 C ATOM 1434 CG GLU A 97 -10.684 3.404 -10.846 1.00 0.00 C ATOM 1435 CD GLU A 97 -11.120 2.273 -11.758 1.00 0.00 C ATOM 1436 OE1 GLU A 97 -10.775 1.109 -11.465 1.00 0.00 O ATOM 1437 OE2 GLU A 97 -11.805 2.552 -12.764 1.00 0.00 O ATOM 0 HA GLU A 97 -9.347 4.654 -8.920 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.757 3.686 -11.730 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.771 2.569 -10.380 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -11.106 3.248 -9.853 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.089 4.344 -11.220 1.00 0.00 H new ATOM 1444 N LEU A 98 -7.098 3.414 -8.466 1.00 0.00 N ATOM 1445 CA LEU A 98 -5.775 3.069 -7.958 1.00 0.00 C ATOM 1446 C LEU A 98 -5.085 2.063 -8.874 1.00 0.00 C ATOM 1447 O LEU A 98 -5.680 1.062 -9.273 1.00 0.00 O ATOM 1448 CB LEU A 98 -5.883 2.497 -6.544 1.00 0.00 C ATOM 1449 CG LEU A 98 -4.611 2.557 -5.696 1.00 0.00 C ATOM 1450 CD1 LEU A 98 -4.213 4.001 -5.433 1.00 0.00 C ATOM 1451 CD2 LEU A 98 -4.808 1.809 -4.386 1.00 0.00 C ATOM 0 H LEU A 98 -7.858 2.855 -8.078 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.175 3.979 -7.931 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.673 3.032 -6.017 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.198 1.456 -6.618 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.805 2.074 -6.249 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.306 4.024 -4.828 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.030 4.506 -6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.017 4.509 -4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.893 1.862 -3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.627 2.262 -3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.045 0.766 -4.595 1.00 0.00 H new ATOM 1463 N MET A 99 -3.827 2.336 -9.203 1.00 0.00 N ATOM 1464 CA MET A 99 -3.055 1.453 -10.070 1.00 0.00 C ATOM 1465 C MET A 99 -1.857 0.872 -9.325 1.00 0.00 C ATOM 1466 O MET A 99 -0.894 1.580 -9.030 1.00 0.00 O ATOM 1467 CB MET A 99 -2.581 2.209 -11.312 1.00 0.00 C ATOM 1468 CG MET A 99 -3.633 2.302 -12.405 1.00 0.00 C ATOM 1469 SD MET A 99 -2.919 2.610 -14.032 1.00 0.00 S ATOM 1470 CE MET A 99 -3.885 1.491 -15.043 1.00 0.00 C ATOM 0 H MET A 99 -3.320 3.161 -8.883 1.00 0.00 H new ATOM 0 HA MET A 99 -3.701 0.632 -10.379 1.00 0.00 H new ATOM 0 HB2 MET A 99 -2.280 3.216 -11.022 1.00 0.00 H new ATOM 0 HB3 MET A 99 -1.696 1.715 -11.712 1.00 0.00 H new ATOM 0 HG2 MET A 99 -4.205 1.375 -12.433 1.00 0.00 H new ATOM 0 HG3 MET A 99 -4.333 3.101 -12.163 1.00 0.00 H new ATOM 0 HE1 MET A 99 -3.311 0.584 -15.233 1.00 0.00 H new ATOM 0 HE2 MET A 99 -4.807 1.234 -14.522 1.00 0.00 H new ATOM 0 HE3 MET A 99 -4.126 1.973 -15.991 1.00 0.00 H new ATOM 1480 N LEU A 100 -1.923 -0.421 -9.025 1.00 0.00 N ATOM 1481 CA LEU A 100 -0.843 -1.097 -8.314 1.00 0.00 C ATOM 1482 C LEU A 100 -0.202 -2.168 -9.191 1.00 0.00 C ATOM 1483 O LEU A 100 -0.889 -2.872 -9.933 1.00 0.00 O ATOM 1484 CB LEU A 100 -1.371 -1.726 -7.024 1.00 0.00 C ATOM 1485 CG LEU A 100 -2.338 -0.869 -6.206 1.00 0.00 C ATOM 1486 CD1 LEU A 100 -3.108 -1.730 -5.217 1.00 0.00 C ATOM 1487 CD2 LEU A 100 -1.587 0.238 -5.481 1.00 0.00 C ATOM 0 H LEU A 100 -2.712 -1.022 -9.263 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.084 -0.355 -8.065 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.871 -2.661 -7.277 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.520 -1.981 -6.393 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.052 -0.409 -6.889 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.791 -1.103 -4.644 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.677 -2.486 -5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.409 -2.219 -4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.291 0.838 -4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.850 -0.202 -4.810 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.082 0.872 -6.209 1.00 0.00 H new ATOM 1499 N LEU A 101 1.118 -2.289 -9.099 1.00 0.00 N ATOM 1500 CA LEU A 101 1.852 -3.276 -9.881 1.00 0.00 C ATOM 1501 C LEU A 101 2.467 -4.340 -8.977 1.00 0.00 C ATOM 1502 O LEU A 101 3.501 -4.114 -8.349 1.00 0.00 O ATOM 1503 CB LEU A 101 2.948 -2.594 -10.702 1.00 0.00 C ATOM 1504 CG LEU A 101 3.530 -3.411 -11.855 1.00 0.00 C ATOM 1505 CD1 LEU A 101 2.467 -3.684 -12.907 1.00 0.00 C ATOM 1506 CD2 LEU A 101 4.720 -2.690 -12.472 1.00 0.00 C ATOM 0 H LEU A 101 1.701 -1.715 -8.490 1.00 0.00 H new ATOM 0 HA LEU A 101 1.149 -3.762 -10.557 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.546 -1.666 -11.108 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.761 -2.322 -10.029 1.00 0.00 H new ATOM 0 HG LEU A 101 3.874 -4.367 -11.460 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.901 -4.267 -13.720 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.646 -4.243 -12.458 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.091 -2.739 -13.299 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.122 -3.286 -13.291 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.400 -1.720 -12.852 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.491 -2.547 -11.715 1.00 0.00 H new ATOM 1518 N VAL A 102 1.824 -5.502 -8.918 1.00 0.00 N ATOM 1519 CA VAL A 102 2.309 -6.603 -8.093 1.00 0.00 C ATOM 1520 C VAL A 102 2.915 -7.707 -8.952 1.00 0.00 C ATOM 1521 O VAL A 102 2.588 -7.841 -10.131 1.00 0.00 O ATOM 1522 CB VAL A 102 1.180 -7.198 -7.231 1.00 0.00 C ATOM 1523 CG1 VAL A 102 0.551 -6.123 -6.358 1.00 0.00 C ATOM 1524 CG2 VAL A 102 0.132 -7.863 -8.112 1.00 0.00 C ATOM 0 H VAL A 102 0.966 -5.705 -9.431 1.00 0.00 H new ATOM 0 HA VAL A 102 3.078 -6.193 -7.438 1.00 0.00 H new ATOM 0 HB VAL A 102 1.607 -7.958 -6.577 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.245 -6.562 -5.756 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.310 -5.697 -5.701 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.136 -5.338 -6.990 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.659 -8.278 -7.487 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -0.293 -7.125 -8.792 1.00 0.00 H new ATOM 0 HG23 VAL A 102 0.596 -8.663 -8.689 1.00 0.00 H new ATOM 1534 N ARG A 103 3.799 -8.498 -8.352 1.00 0.00 N ATOM 1535 CA ARG A 103 4.451 -9.591 -9.063 1.00 0.00 C ATOM 1536 C ARG A 103 3.656 -10.885 -8.917 1.00 0.00 C ATOM 1537 O ARG A 103 3.195 -11.241 -7.832 1.00 0.00 O ATOM 1538 CB ARG A 103 5.874 -9.793 -8.536 1.00 0.00 C ATOM 1539 CG ARG A 103 6.766 -10.583 -9.480 1.00 0.00 C ATOM 1540 CD ARG A 103 8.080 -10.964 -8.815 1.00 0.00 C ATOM 1541 NE ARG A 103 9.131 -11.227 -9.794 1.00 0.00 N ATOM 1542 CZ ARG A 103 10.263 -11.860 -9.504 1.00 0.00 C ATOM 1543 NH1 ARG A 103 10.488 -12.293 -8.272 1.00 0.00 N ATOM 1544 NH2 ARG A 103 11.173 -12.061 -10.449 1.00 0.00 N ATOM 0 H ARG A 103 4.080 -8.402 -7.376 1.00 0.00 H new ATOM 0 HA ARG A 103 4.495 -9.329 -10.120 1.00 0.00 H new ATOM 0 HB2 ARG A 103 6.326 -8.818 -8.353 1.00 0.00 H new ATOM 0 HB3 ARG A 103 5.828 -10.309 -7.577 1.00 0.00 H new ATOM 0 HG2 ARG A 103 6.246 -11.484 -9.805 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.967 -9.992 -10.373 1.00 0.00 H new ATOM 0 HD2 ARG A 103 8.396 -10.160 -8.150 1.00 0.00 H new ATOM 0 HD3 ARG A 103 7.930 -11.849 -8.197 1.00 0.00 H new ATOM 0 HE ARG A 103 8.989 -10.908 -10.752 1.00 0.00 H new ATOM 0 HH11 ARG A 103 9.791 -12.141 -7.543 1.00 0.00 H new ATOM 0 HH12 ARG A 103 11.358 -12.778 -8.053 1.00 0.00 H new ATOM 0 HH21 ARG A 103 11.004 -11.730 -11.399 1.00 0.00 H new ATOM 0 HH22 ARG A 103 12.042 -12.547 -10.226 1.00 0.00 H new ATOM 1558 N PRO A 104 3.489 -11.606 -10.036 1.00 0.00 N ATOM 1559 CA PRO A 104 2.749 -12.872 -10.059 1.00 0.00 C ATOM 1560 C PRO A 104 3.489 -13.989 -9.332 1.00 0.00 C ATOM 1561 O PRO A 104 4.628 -14.312 -9.665 1.00 0.00 O ATOM 1562 CB PRO A 104 2.636 -13.189 -11.552 1.00 0.00 C ATOM 1563 CG PRO A 104 3.792 -12.488 -12.177 1.00 0.00 C ATOM 1564 CD PRO A 104 4.011 -11.242 -11.364 1.00 0.00 C ATOM 0 HA PRO A 104 1.787 -12.792 -9.552 1.00 0.00 H new ATOM 0 HB2 PRO A 104 2.679 -14.263 -11.733 1.00 0.00 H new ATOM 0 HB3 PRO A 104 1.690 -12.835 -11.961 1.00 0.00 H new ATOM 0 HG2 PRO A 104 4.681 -13.119 -12.171 1.00 0.00 H new ATOM 0 HG3 PRO A 104 3.583 -12.243 -13.218 1.00 0.00 H new ATOM 0 HD2 PRO A 104 5.066 -10.970 -11.321 1.00 0.00 H new ATOM 0 HD3 PRO A 104 3.479 -10.389 -11.785 1.00 0.00 H new