USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 790 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 84 THR OG1 : rot -72:sc= -0.369 USER MOD Set 1.2: A 87 GLN : amide:sc= 0.0283 X(o=-0.34,f=-0.59) USER MOD Set 2.1: A 71 THR OG1 : rot -131:sc= -0.248 USER MOD Set 2.2: A 110 MET CE :methyl 141:sc= -4.77! (180deg=-8.55!) USER MOD Set 3.1: A 16 THR OG1 : rot 180:sc= -2.74! USER MOD Set 3.2: A 39 GLN : amide:sc= -4.06! C(o=-6.8!,f=-8.8!) USER MOD Set 4.1: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -163:sc= -2.09! (180deg=-3.56!) USER MOD Single : A 18 GLN : amide:sc= -0.0952 K(o=-0.095,f=-1.8!) USER MOD Single : A 21 CYS SG : rot 180:sc= -1.35 USER MOD Single : A 26 THR OG1 : rot 133:sc= -1.4 USER MOD Single : A 33 THR OG1 : rot 76:sc= 0.0643 USER MOD Single : A 41 LYS NZ :NH3+ -137:sc= 0.0518 (180deg=-0.199) USER MOD Single : A 43 MET CE :methyl -172:sc= -2.05 (180deg=-2.09) USER MOD Single : A 53 CYS SG : rot 180:sc= -0.464 USER MOD Single : A 55 GLN : amide:sc= -0.0642 X(o=-0.064,f=-0.064) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0.29 X(o=0.29,f=-0.15) USER MOD Single : A 70 GLN : amide:sc= -1.09 K(o=-1.1,f=-4.3!) USER MOD Single : A 75 HIS : no HE2:sc= -2.22 K(o=-2.2,f=-4.9!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -51:sc= 0.193 USER MOD Single : A 89 TYR OH : rot -128:sc= 0.0274 USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 94 GLN :FLIP amide:sc= -0.0756 F(o=-0.86,f=-0.076) USER MOD Single : A 97 LYS NZ :NH3+ -164:sc= -0.0246 (180deg=-0.293) USER MOD Single : A 116 SER OG : rot 17:sc= 0.499 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.069) USER MOD ----------------------------------------------------------------- ATOM 171 N ILE A 14 18.664 -19.460 6.363 1.00 0.00 N ATOM 172 CA ILE A 14 17.320 -18.925 6.189 1.00 0.00 C ATOM 173 C ILE A 14 17.356 -17.425 5.912 1.00 0.00 C ATOM 174 O ILE A 14 17.881 -16.649 6.711 1.00 0.00 O ATOM 175 CB ILE A 14 16.446 -19.186 7.429 1.00 0.00 C ATOM 176 CG1 ILE A 14 16.331 -20.689 7.692 1.00 0.00 C ATOM 177 CG2 ILE A 14 15.067 -18.568 7.246 1.00 0.00 C ATOM 178 CD1 ILE A 14 15.822 -21.023 9.077 1.00 0.00 C ATOM 0 HA ILE A 14 16.884 -19.439 5.332 1.00 0.00 H new ATOM 0 HB ILE A 14 16.920 -18.720 8.293 1.00 0.00 H new ATOM 0 HG12 ILE A 14 15.662 -21.129 6.952 1.00 0.00 H new ATOM 0 HG13 ILE A 14 17.309 -21.150 7.552 1.00 0.00 H new ATOM 0 HG21 ILE A 14 14.461 -18.761 8.131 1.00 0.00 H new ATOM 0 HG22 ILE A 14 15.167 -17.492 7.102 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.584 -19.007 6.373 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.766 -22.105 9.193 1.00 0.00 H new ATOM 0 HD12 ILE A 14 16.502 -20.613 9.823 1.00 0.00 H new ATOM 0 HD13 ILE A 14 14.830 -20.592 9.214 1.00 0.00 H new ATOM 190 N MET A 15 16.794 -17.024 4.777 1.00 0.00 N ATOM 191 CA MET A 15 16.760 -15.617 4.398 1.00 0.00 C ATOM 192 C MET A 15 15.354 -15.045 4.556 1.00 0.00 C ATOM 193 O MET A 15 14.367 -15.686 4.193 1.00 0.00 O ATOM 194 CB MET A 15 17.233 -15.445 2.953 1.00 0.00 C ATOM 195 CG MET A 15 16.913 -16.635 2.063 1.00 0.00 C ATOM 196 SD MET A 15 17.034 -16.241 0.307 1.00 0.00 S ATOM 197 CE MET A 15 16.558 -17.805 -0.423 1.00 0.00 C ATOM 0 H MET A 15 16.356 -17.653 4.104 1.00 0.00 H new ATOM 0 HA MET A 15 17.432 -15.072 5.061 1.00 0.00 H new ATOM 0 HB2 MET A 15 16.771 -14.552 2.532 1.00 0.00 H new ATOM 0 HB3 MET A 15 18.310 -15.278 2.949 1.00 0.00 H new ATOM 0 HG2 MET A 15 17.596 -17.452 2.296 1.00 0.00 H new ATOM 0 HG3 MET A 15 15.906 -16.988 2.284 1.00 0.00 H new ATOM 0 HE1 MET A 15 16.866 -17.827 -1.468 1.00 0.00 H new ATOM 0 HE2 MET A 15 17.042 -18.620 0.115 1.00 0.00 H new ATOM 0 HE3 MET A 15 15.476 -17.921 -0.361 1.00 0.00 H new ATOM 207 N THR A 16 15.270 -13.835 5.100 1.00 0.00 N ATOM 208 CA THR A 16 13.986 -13.178 5.308 1.00 0.00 C ATOM 209 C THR A 16 13.670 -12.216 4.168 1.00 0.00 C ATOM 210 O THR A 16 14.361 -11.213 3.979 1.00 0.00 O ATOM 211 CB THR A 16 13.960 -12.405 6.640 1.00 0.00 C ATOM 212 OG1 THR A 16 14.341 -13.269 7.715 1.00 0.00 O ATOM 213 CG2 THR A 16 12.574 -11.835 6.907 1.00 0.00 C ATOM 0 H THR A 16 16.077 -13.290 5.405 1.00 0.00 H new ATOM 0 HA THR A 16 13.230 -13.963 5.337 1.00 0.00 H new ATOM 0 HB THR A 16 14.668 -11.579 6.570 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.323 -12.770 8.558 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.579 -11.293 7.853 1.00 0.00 H new ATOM 0 HG22 THR A 16 12.299 -11.155 6.101 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.850 -12.648 6.959 1.00 0.00 H new ATOM 221 N LEU A 17 12.623 -12.525 3.412 1.00 0.00 N ATOM 222 CA LEU A 17 12.215 -11.687 2.289 1.00 0.00 C ATOM 223 C LEU A 17 10.891 -10.989 2.585 1.00 0.00 C ATOM 224 O LEU A 17 9.917 -11.628 2.982 1.00 0.00 O ATOM 225 CB LEU A 17 12.088 -12.528 1.018 1.00 0.00 C ATOM 226 CG LEU A 17 13.393 -12.830 0.281 1.00 0.00 C ATOM 227 CD1 LEU A 17 14.466 -13.287 1.257 1.00 0.00 C ATOM 228 CD2 LEU A 17 13.167 -13.882 -0.796 1.00 0.00 C ATOM 0 H LEU A 17 12.040 -13.350 3.556 1.00 0.00 H new ATOM 0 HA LEU A 17 12.981 -10.926 2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.613 -13.474 1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.417 -12.013 0.331 1.00 0.00 H new ATOM 0 HG LEU A 17 13.735 -11.914 -0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 17 15.387 -13.497 0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.649 -12.502 1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.132 -14.190 1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 17 14.107 -14.084 -1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 17 12.800 -14.800 -0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.432 -13.516 -1.513 1.00 0.00 H new ATOM 240 N GLN A 18 10.863 -9.675 2.386 1.00 0.00 N ATOM 241 CA GLN A 18 9.658 -8.892 2.630 1.00 0.00 C ATOM 242 C GLN A 18 8.968 -8.532 1.318 1.00 0.00 C ATOM 243 O GLN A 18 9.333 -7.572 0.640 1.00 0.00 O ATOM 244 CB GLN A 18 10.001 -7.618 3.405 1.00 0.00 C ATOM 245 CG GLN A 18 10.759 -7.878 4.697 1.00 0.00 C ATOM 246 CD GLN A 18 11.680 -6.733 5.073 1.00 0.00 C ATOM 247 OE1 GLN A 18 11.711 -5.701 4.404 1.00 0.00 O ATOM 248 NE2 GLN A 18 12.435 -6.912 6.151 1.00 0.00 N ATOM 0 H GLN A 18 11.661 -9.131 2.057 1.00 0.00 H new ATOM 0 HA GLN A 18 8.975 -9.499 3.225 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.598 -6.965 2.768 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.079 -7.083 3.635 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.046 -8.046 5.504 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.345 -8.791 4.593 1.00 0.00 H new ATOM 0 HE21 GLN A 18 12.376 -7.785 6.676 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.074 -6.177 6.454 1.00 0.00 H new ATOM 257 N PRO A 19 7.946 -9.321 0.952 1.00 0.00 N ATOM 258 CA PRO A 19 7.183 -9.105 -0.281 1.00 0.00 C ATOM 259 C PRO A 19 6.320 -7.850 -0.217 1.00 0.00 C ATOM 260 O PRO A 19 5.117 -7.925 0.037 1.00 0.00 O ATOM 261 CB PRO A 19 6.305 -10.354 -0.378 1.00 0.00 C ATOM 262 CG PRO A 19 6.164 -10.828 1.028 1.00 0.00 C ATOM 263 CD PRO A 19 7.458 -10.482 1.712 1.00 0.00 C ATOM 0 HA PRO A 19 7.834 -8.957 -1.143 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.335 -10.123 -0.817 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.767 -11.115 -1.008 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.320 -10.344 1.520 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.980 -11.902 1.061 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.304 -10.238 2.763 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.165 -11.311 1.677 1.00 0.00 H new ATOM 271 N ARG A 20 6.940 -6.698 -0.449 1.00 0.00 N ATOM 272 CA ARG A 20 6.228 -5.426 -0.416 1.00 0.00 C ATOM 273 C ARG A 20 5.940 -4.927 -1.829 1.00 0.00 C ATOM 274 O ARG A 20 6.722 -5.161 -2.751 1.00 0.00 O ATOM 275 CB ARG A 20 7.042 -4.381 0.350 1.00 0.00 C ATOM 276 CG ARG A 20 8.345 -4.004 -0.334 1.00 0.00 C ATOM 277 CD ARG A 20 9.074 -2.904 0.424 1.00 0.00 C ATOM 278 NE ARG A 20 10.237 -2.413 -0.310 1.00 0.00 N ATOM 279 CZ ARG A 20 11.094 -1.524 0.182 1.00 0.00 C ATOM 280 NH1 ARG A 20 10.919 -1.033 1.400 1.00 0.00 N ATOM 281 NH2 ARG A 20 12.130 -1.127 -0.547 1.00 0.00 N ATOM 0 H ARG A 20 7.934 -6.619 -0.662 1.00 0.00 H new ATOM 0 HA ARG A 20 5.278 -5.583 0.096 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.436 -3.484 0.479 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.262 -4.763 1.347 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.986 -4.883 -0.408 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.140 -3.672 -1.352 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.389 -2.078 0.612 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.392 -3.282 1.396 1.00 0.00 H new ATOM 0 HE ARG A 20 10.401 -2.771 -1.251 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.125 -1.337 1.963 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.579 -0.351 1.775 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.268 -1.504 -1.485 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.788 -0.445 -0.170 1.00 0.00 H new ATOM 295 N CYS A 21 4.815 -4.241 -1.990 1.00 0.00 N ATOM 296 CA CYS A 21 4.423 -3.711 -3.291 1.00 0.00 C ATOM 297 C CYS A 21 3.738 -2.355 -3.142 1.00 0.00 C ATOM 298 O CYS A 21 2.968 -2.139 -2.207 1.00 0.00 O ATOM 299 CB CYS A 21 3.492 -4.691 -4.006 1.00 0.00 C ATOM 300 SG CYS A 21 3.645 -4.674 -5.807 1.00 0.00 S ATOM 0 H CYS A 21 4.158 -4.038 -1.236 1.00 0.00 H new ATOM 0 HA CYS A 21 5.325 -3.578 -3.888 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.696 -5.699 -3.644 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.462 -4.458 -3.737 1.00 0.00 H new ATOM 0 HG CYS A 21 2.820 -5.537 -6.321 1.00 0.00 H new ATOM 306 N GLU A 22 4.025 -1.448 -4.069 1.00 0.00 N ATOM 307 CA GLU A 22 3.439 -0.113 -4.038 1.00 0.00 C ATOM 308 C GLU A 22 2.834 0.246 -5.392 1.00 0.00 C ATOM 309 O GLU A 22 3.325 -0.182 -6.437 1.00 0.00 O ATOM 310 CB GLU A 22 4.494 0.924 -3.647 1.00 0.00 C ATOM 311 CG GLU A 22 5.499 1.214 -4.748 1.00 0.00 C ATOM 312 CD GLU A 22 6.684 0.268 -4.721 1.00 0.00 C ATOM 313 OE1 GLU A 22 7.334 0.160 -3.661 1.00 0.00 O ATOM 314 OE2 GLU A 22 6.961 -0.366 -5.762 1.00 0.00 O ATOM 0 H GLU A 22 4.659 -1.613 -4.851 1.00 0.00 H new ATOM 0 HA GLU A 22 2.645 -0.110 -3.291 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.994 1.852 -3.369 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.027 0.573 -2.763 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.003 1.141 -5.716 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.855 2.239 -4.649 1.00 0.00 H new ATOM 321 N ASP A 23 1.766 1.036 -5.366 1.00 0.00 N ATOM 322 CA ASP A 23 1.093 1.455 -6.590 1.00 0.00 C ATOM 323 C ASP A 23 0.303 0.300 -7.198 1.00 0.00 C ATOM 324 O ASP A 23 0.265 0.133 -8.417 1.00 0.00 O ATOM 325 CB ASP A 23 2.113 1.980 -7.603 1.00 0.00 C ATOM 326 CG ASP A 23 3.229 2.767 -6.946 1.00 0.00 C ATOM 327 OD1 ASP A 23 2.974 3.394 -5.896 1.00 0.00 O ATOM 328 OD2 ASP A 23 4.358 2.757 -7.481 1.00 0.00 O ATOM 0 H ASP A 23 1.347 1.399 -4.510 1.00 0.00 H new ATOM 0 HA ASP A 23 0.397 2.255 -6.338 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.539 1.141 -8.153 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.605 2.613 -8.330 1.00 0.00 H new ATOM 333 N VAL A 24 -0.328 -0.495 -6.338 1.00 0.00 N ATOM 334 CA VAL A 24 -1.118 -1.633 -6.790 1.00 0.00 C ATOM 335 C VAL A 24 -2.605 -1.403 -6.544 1.00 0.00 C ATOM 336 O VAL A 24 -3.109 -1.651 -5.449 1.00 0.00 O ATOM 337 CB VAL A 24 -0.688 -2.932 -6.082 1.00 0.00 C ATOM 338 CG1 VAL A 24 0.746 -3.288 -6.444 1.00 0.00 C ATOM 339 CG2 VAL A 24 -0.847 -2.795 -4.576 1.00 0.00 C ATOM 0 H VAL A 24 -0.307 -0.371 -5.326 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.941 -1.735 -7.861 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.335 -3.741 -6.421 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.032 -4.208 -5.935 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.825 -3.430 -7.522 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.410 -2.481 -6.135 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.539 -3.722 -4.092 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.226 -1.974 -4.218 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.891 -2.591 -4.337 1.00 0.00 H new ATOM 349 N GLU A 25 -3.303 -0.926 -7.572 1.00 0.00 N ATOM 350 CA GLU A 25 -4.733 -0.662 -7.466 1.00 0.00 C ATOM 351 C GLU A 25 -5.475 -1.885 -6.932 1.00 0.00 C ATOM 352 O GLU A 25 -5.293 -2.999 -7.423 1.00 0.00 O ATOM 353 CB GLU A 25 -5.302 -0.261 -8.828 1.00 0.00 C ATOM 354 CG GLU A 25 -4.740 1.045 -9.362 1.00 0.00 C ATOM 355 CD GLU A 25 -5.662 1.711 -10.364 1.00 0.00 C ATOM 356 OE1 GLU A 25 -6.398 0.987 -11.066 1.00 0.00 O ATOM 357 OE2 GLU A 25 -5.648 2.957 -10.448 1.00 0.00 O ATOM 0 H GLU A 25 -2.901 -0.715 -8.486 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.873 0.161 -6.765 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.097 -1.055 -9.546 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.386 -0.175 -8.748 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.561 1.726 -8.530 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.775 0.856 -9.832 1.00 0.00 H new ATOM 364 N THR A 26 -6.310 -1.667 -5.921 1.00 0.00 N ATOM 365 CA THR A 26 -7.078 -2.750 -5.319 1.00 0.00 C ATOM 366 C THR A 26 -8.223 -3.184 -6.228 1.00 0.00 C ATOM 367 O THR A 26 -8.393 -2.652 -7.324 1.00 0.00 O ATOM 368 CB THR A 26 -7.653 -2.337 -3.951 1.00 0.00 C ATOM 369 OG1 THR A 26 -8.125 -0.986 -4.004 1.00 0.00 O ATOM 370 CG2 THR A 26 -6.600 -2.468 -2.860 1.00 0.00 C ATOM 0 H THR A 26 -6.472 -0.751 -5.502 1.00 0.00 H new ATOM 0 HA THR A 26 -6.391 -3.585 -5.180 1.00 0.00 H new ATOM 0 HB THR A 26 -8.484 -3.002 -3.716 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.018 -0.935 -3.603 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.029 -2.171 -1.903 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.264 -3.503 -2.801 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.752 -1.824 -3.093 1.00 0.00 H new ATOM 378 N ALA A 27 -9.005 -4.154 -5.765 1.00 0.00 N ATOM 379 CA ALA A 27 -10.135 -4.657 -6.534 1.00 0.00 C ATOM 380 C ALA A 27 -11.031 -3.515 -7.005 1.00 0.00 C ATOM 381 O ALA A 27 -11.261 -3.349 -8.202 1.00 0.00 O ATOM 382 CB ALA A 27 -10.936 -5.653 -5.708 1.00 0.00 C ATOM 0 H ALA A 27 -8.876 -4.607 -4.860 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.744 -5.165 -7.416 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.777 -6.020 -6.296 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.297 -6.490 -5.427 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.309 -5.163 -4.808 1.00 0.00 H new ATOM 388 N GLU A 28 -11.534 -2.734 -6.055 1.00 0.00 N ATOM 389 CA GLU A 28 -12.405 -1.610 -6.374 1.00 0.00 C ATOM 390 C GLU A 28 -11.674 -0.581 -7.232 1.00 0.00 C ATOM 391 O GLU A 28 -12.284 0.105 -8.052 1.00 0.00 O ATOM 392 CB GLU A 28 -12.913 -0.950 -5.090 1.00 0.00 C ATOM 393 CG GLU A 28 -11.893 -0.941 -3.965 1.00 0.00 C ATOM 394 CD GLU A 28 -12.275 -0.001 -2.838 1.00 0.00 C ATOM 395 OE1 GLU A 28 -12.820 1.085 -3.128 1.00 0.00 O ATOM 396 OE2 GLU A 28 -12.030 -0.352 -1.664 1.00 0.00 O ATOM 0 H GLU A 28 -11.353 -2.859 -5.059 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.255 -1.991 -6.940 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.207 0.076 -5.311 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.808 -1.472 -4.753 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.785 -1.951 -3.570 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.921 -0.649 -4.363 1.00 0.00 H new ATOM 403 N GLY A 29 -10.363 -0.480 -7.037 1.00 0.00 N ATOM 404 CA GLY A 29 -9.571 0.468 -7.799 1.00 0.00 C ATOM 405 C GLY A 29 -8.890 1.496 -6.917 1.00 0.00 C ATOM 406 O GLY A 29 -9.065 2.701 -7.106 1.00 0.00 O ATOM 0 H GLY A 29 -9.835 -1.037 -6.365 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.817 -0.071 -8.372 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.213 0.978 -8.517 1.00 0.00 H new ATOM 410 N VAL A 30 -8.113 1.022 -5.948 1.00 0.00 N ATOM 411 CA VAL A 30 -7.404 1.909 -5.033 1.00 0.00 C ATOM 412 C VAL A 30 -5.971 1.439 -4.813 1.00 0.00 C ATOM 413 O VAL A 30 -5.736 0.399 -4.198 1.00 0.00 O ATOM 414 CB VAL A 30 -8.119 1.999 -3.672 1.00 0.00 C ATOM 415 CG1 VAL A 30 -7.598 3.183 -2.873 1.00 0.00 C ATOM 416 CG2 VAL A 30 -9.625 2.098 -3.867 1.00 0.00 C ATOM 0 H VAL A 30 -7.959 0.028 -5.776 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.392 2.897 -5.494 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.908 1.090 -3.109 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.115 3.231 -1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.528 3.065 -2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.777 4.104 -3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.114 2.161 -2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.859 2.989 -4.449 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.982 1.215 -4.397 1.00 0.00 H new ATOM 426 N ALA A 31 -5.016 2.212 -5.317 1.00 0.00 N ATOM 427 CA ALA A 31 -3.605 1.877 -5.173 1.00 0.00 C ATOM 428 C ALA A 31 -3.179 1.914 -3.710 1.00 0.00 C ATOM 429 O ALA A 31 -3.171 2.973 -3.082 1.00 0.00 O ATOM 430 CB ALA A 31 -2.749 2.827 -5.998 1.00 0.00 C ATOM 0 H ALA A 31 -5.194 3.076 -5.829 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.459 0.862 -5.542 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.698 2.565 -5.880 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.027 2.748 -7.049 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.908 3.850 -5.656 1.00 0.00 H new ATOM 436 N LEU A 32 -2.827 0.752 -3.171 1.00 0.00 N ATOM 437 CA LEU A 32 -2.400 0.651 -1.780 1.00 0.00 C ATOM 438 C LEU A 32 -0.950 0.186 -1.688 1.00 0.00 C ATOM 439 O LEU A 32 -0.381 -0.309 -2.661 1.00 0.00 O ATOM 440 CB LEU A 32 -3.307 -0.316 -1.016 1.00 0.00 C ATOM 441 CG LEU A 32 -4.523 0.305 -0.329 1.00 0.00 C ATOM 442 CD1 LEU A 32 -4.087 1.183 0.834 1.00 0.00 C ATOM 443 CD2 LEU A 32 -5.348 1.107 -1.325 1.00 0.00 C ATOM 0 H LEU A 32 -2.829 -0.134 -3.676 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.474 1.641 -1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.658 -1.079 -1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.708 -0.824 -0.260 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.146 -0.500 0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.965 1.617 1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.540 0.581 1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.443 1.981 0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.209 1.541 -0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.735 1.904 -1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.691 0.451 -2.125 1.00 0.00 H new ATOM 455 N THR A 33 -0.357 0.347 -0.508 1.00 0.00 N ATOM 456 CA THR A 33 1.026 -0.056 -0.288 1.00 0.00 C ATOM 457 C THR A 33 1.132 -1.058 0.856 1.00 0.00 C ATOM 458 O THR A 33 0.951 -0.704 2.023 1.00 0.00 O ATOM 459 CB THR A 33 1.923 1.157 0.023 1.00 0.00 C ATOM 460 OG1 THR A 33 1.487 2.295 -0.730 1.00 0.00 O ATOM 461 CG2 THR A 33 3.377 0.853 -0.302 1.00 0.00 C ATOM 0 H THR A 33 -0.813 0.753 0.309 1.00 0.00 H new ATOM 0 HA THR A 33 1.368 -0.524 -1.211 1.00 0.00 H new ATOM 0 HB THR A 33 1.844 1.375 1.088 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.673 2.662 -0.326 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.991 1.725 -0.074 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.714 0.006 0.295 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.470 0.611 -1.361 1.00 0.00 H new ATOM 469 N VAL A 34 1.425 -2.309 0.516 1.00 0.00 N ATOM 470 CA VAL A 34 1.555 -3.363 1.517 1.00 0.00 C ATOM 471 C VAL A 34 2.994 -3.858 1.608 1.00 0.00 C ATOM 472 O VAL A 34 3.567 -4.321 0.621 1.00 0.00 O ATOM 473 CB VAL A 34 0.632 -4.554 1.200 1.00 0.00 C ATOM 474 CG1 VAL A 34 0.829 -5.666 2.219 1.00 0.00 C ATOM 475 CG2 VAL A 34 -0.822 -4.106 1.162 1.00 0.00 C ATOM 0 H VAL A 34 1.577 -2.618 -0.444 1.00 0.00 H new ATOM 0 HA VAL A 34 1.261 -2.931 2.474 1.00 0.00 H new ATOM 0 HB VAL A 34 0.894 -4.943 0.216 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.169 -6.500 1.980 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.865 -6.004 2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.595 -5.292 3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.460 -4.960 0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.100 -3.691 2.131 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.948 -3.346 0.391 1.00 0.00 H new ATOM 485 N THR A 35 3.574 -3.758 2.801 1.00 0.00 N ATOM 486 CA THR A 35 4.947 -4.196 3.021 1.00 0.00 C ATOM 487 C THR A 35 5.047 -5.716 3.012 1.00 0.00 C ATOM 488 O THR A 35 5.730 -6.298 2.170 1.00 0.00 O ATOM 489 CB THR A 35 5.497 -3.664 4.358 1.00 0.00 C ATOM 490 OG1 THR A 35 5.817 -2.273 4.238 1.00 0.00 O ATOM 491 CG2 THR A 35 6.736 -4.440 4.780 1.00 0.00 C ATOM 0 H THR A 35 3.114 -3.378 3.628 1.00 0.00 H new ATOM 0 HA THR A 35 5.544 -3.791 2.204 1.00 0.00 H new ATOM 0 HB THR A 35 4.728 -3.795 5.120 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.164 -1.942 5.093 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.107 -4.047 5.727 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.483 -5.493 4.899 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.508 -4.336 4.017 1.00 0.00 H new ATOM 499 N GLY A 36 4.362 -6.356 3.954 1.00 0.00 N ATOM 500 CA GLY A 36 4.387 -7.805 4.036 1.00 0.00 C ATOM 501 C GLY A 36 5.719 -8.335 4.530 1.00 0.00 C ATOM 502 O GLY A 36 6.771 -7.777 4.218 1.00 0.00 O ATOM 0 H GLY A 36 3.790 -5.897 4.663 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.595 -8.142 4.705 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.174 -8.225 3.053 1.00 0.00 H new ATOM 506 N VAL A 37 5.674 -9.415 5.304 1.00 0.00 N ATOM 507 CA VAL A 37 6.887 -10.019 5.842 1.00 0.00 C ATOM 508 C VAL A 37 6.763 -11.538 5.902 1.00 0.00 C ATOM 509 O VAL A 37 5.944 -12.075 6.645 1.00 0.00 O ATOM 510 CB VAL A 37 7.203 -9.485 7.251 1.00 0.00 C ATOM 511 CG1 VAL A 37 8.265 -10.341 7.922 1.00 0.00 C ATOM 512 CG2 VAL A 37 7.644 -8.031 7.183 1.00 0.00 C ATOM 0 H VAL A 37 4.812 -9.889 5.572 1.00 0.00 H new ATOM 0 HA VAL A 37 7.701 -9.749 5.169 1.00 0.00 H new ATOM 0 HB VAL A 37 6.295 -9.538 7.852 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.475 -9.947 8.917 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.906 -11.367 8.006 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.177 -10.323 7.325 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.863 -7.670 8.188 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.538 -7.951 6.565 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.847 -7.429 6.747 1.00 0.00 H new ATOM 522 N ALA A 38 7.585 -12.224 5.114 1.00 0.00 N ATOM 523 CA ALA A 38 7.570 -13.681 5.079 1.00 0.00 C ATOM 524 C ALA A 38 8.987 -14.244 5.068 1.00 0.00 C ATOM 525 O ALA A 38 9.881 -13.687 4.430 1.00 0.00 O ATOM 526 CB ALA A 38 6.795 -14.172 3.865 1.00 0.00 C ATOM 0 H ALA A 38 8.269 -11.794 4.492 1.00 0.00 H new ATOM 0 HA ALA A 38 7.073 -14.037 5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.792 -15.262 3.852 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.769 -13.807 3.916 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.268 -13.799 2.956 1.00 0.00 H new ATOM 532 N GLN A 39 9.184 -15.351 5.777 1.00 0.00 N ATOM 533 CA GLN A 39 10.495 -15.988 5.849 1.00 0.00 C ATOM 534 C GLN A 39 10.625 -17.084 4.796 1.00 0.00 C ATOM 535 O GLN A 39 9.645 -17.736 4.439 1.00 0.00 O ATOM 536 CB GLN A 39 10.723 -16.574 7.244 1.00 0.00 C ATOM 537 CG GLN A 39 12.193 -16.732 7.602 1.00 0.00 C ATOM 538 CD GLN A 39 12.785 -15.471 8.201 1.00 0.00 C ATOM 539 OE1 GLN A 39 12.142 -14.421 8.229 1.00 0.00 O ATOM 540 NE2 GLN A 39 14.018 -15.568 8.683 1.00 0.00 N ATOM 0 H GLN A 39 8.454 -15.825 6.309 1.00 0.00 H new ATOM 0 HA GLN A 39 11.253 -15.229 5.653 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.244 -15.931 7.982 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.236 -17.547 7.305 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.305 -17.553 8.310 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.754 -17.003 6.708 1.00 0.00 H new ATOM 0 HE21 GLN A 39 14.514 -16.458 8.639 1.00 0.00 H new ATOM 0 HE22 GLN A 39 14.469 -14.752 9.097 1.00 0.00 H new ATOM 549 N VAL A 40 11.843 -17.278 4.301 1.00 0.00 N ATOM 550 CA VAL A 40 12.103 -18.295 3.289 1.00 0.00 C ATOM 551 C VAL A 40 13.480 -18.923 3.480 1.00 0.00 C ATOM 552 O VAL A 40 14.351 -18.348 4.132 1.00 0.00 O ATOM 553 CB VAL A 40 12.011 -17.709 1.867 1.00 0.00 C ATOM 554 CG1 VAL A 40 13.314 -17.024 1.487 1.00 0.00 C ATOM 555 CG2 VAL A 40 11.659 -18.798 0.865 1.00 0.00 C ATOM 0 H VAL A 40 12.665 -16.745 4.584 1.00 0.00 H new ATOM 0 HA VAL A 40 11.338 -19.062 3.408 1.00 0.00 H new ATOM 0 HB VAL A 40 11.218 -16.962 1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.230 -16.616 0.480 1.00 0.00 H new ATOM 0 HG12 VAL A 40 13.519 -16.216 2.190 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.128 -17.748 1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.598 -18.367 -0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.429 -19.570 0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.698 -19.239 1.129 1.00 0.00 H new ATOM 565 N LYS A 41 13.670 -20.106 2.908 1.00 0.00 N ATOM 566 CA LYS A 41 14.940 -20.813 3.012 1.00 0.00 C ATOM 567 C LYS A 41 15.091 -21.832 1.888 1.00 0.00 C ATOM 568 O LYS A 41 14.103 -22.267 1.296 1.00 0.00 O ATOM 569 CB LYS A 41 15.048 -21.514 4.369 1.00 0.00 C ATOM 570 CG LYS A 41 14.139 -22.724 4.501 1.00 0.00 C ATOM 571 CD LYS A 41 14.833 -23.995 4.040 1.00 0.00 C ATOM 572 CE LYS A 41 14.227 -25.228 4.694 1.00 0.00 C ATOM 573 NZ LYS A 41 15.118 -26.415 4.568 1.00 0.00 N ATOM 0 H LYS A 41 12.959 -20.597 2.366 1.00 0.00 H new ATOM 0 HA LYS A 41 15.742 -20.080 2.923 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.080 -21.826 4.526 1.00 0.00 H new ATOM 0 HB3 LYS A 41 14.807 -20.801 5.157 1.00 0.00 H new ATOM 0 HG2 LYS A 41 13.827 -22.835 5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 41 13.235 -22.567 3.912 1.00 0.00 H new ATOM 0 HD2 LYS A 41 14.755 -24.081 2.956 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.895 -23.939 4.280 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.039 -25.025 5.748 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.263 -25.447 4.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.551 -27.250 4.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 15.825 -26.241 3.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.601 -26.584 5.473 1.00 0.00 H new ATOM 587 N ILE A 42 16.331 -22.210 1.600 1.00 0.00 N ATOM 588 CA ILE A 42 16.610 -23.181 0.549 1.00 0.00 C ATOM 589 C ILE A 42 16.472 -24.608 1.067 1.00 0.00 C ATOM 590 O ILE A 42 16.725 -24.879 2.242 1.00 0.00 O ATOM 591 CB ILE A 42 18.024 -22.991 -0.033 1.00 0.00 C ATOM 592 CG1 ILE A 42 18.250 -21.527 -0.413 1.00 0.00 C ATOM 593 CG2 ILE A 42 18.224 -23.894 -1.241 1.00 0.00 C ATOM 594 CD1 ILE A 42 17.340 -21.042 -1.521 1.00 0.00 C ATOM 0 H ILE A 42 17.160 -21.859 2.080 1.00 0.00 H new ATOM 0 HA ILE A 42 15.876 -23.012 -0.239 1.00 0.00 H new ATOM 0 HB ILE A 42 18.755 -23.266 0.728 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.099 -20.904 0.469 1.00 0.00 H new ATOM 0 HG13 ILE A 42 19.287 -21.396 -0.722 1.00 0.00 H new ATOM 0 HG21 ILE A 42 19.227 -23.749 -1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 42 18.100 -24.935 -0.942 1.00 0.00 H new ATOM 0 HG23 ILE A 42 17.488 -23.646 -2.006 1.00 0.00 H new ATOM 0 HD11 ILE A 42 17.556 -19.996 -1.738 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.507 -21.640 -2.417 1.00 0.00 H new ATOM 0 HD13 ILE A 42 16.301 -21.140 -1.207 1.00 0.00 H new ATOM 606 N MET A 43 16.074 -25.517 0.185 1.00 0.00 N ATOM 607 CA MET A 43 15.907 -26.918 0.553 1.00 0.00 C ATOM 608 C MET A 43 17.202 -27.696 0.337 1.00 0.00 C ATOM 609 O MET A 43 18.228 -27.123 -0.031 1.00 0.00 O ATOM 610 CB MET A 43 14.777 -27.551 -0.261 1.00 0.00 C ATOM 611 CG MET A 43 13.391 -27.095 0.166 1.00 0.00 C ATOM 612 SD MET A 43 12.839 -25.625 -0.720 1.00 0.00 S ATOM 613 CE MET A 43 11.661 -26.341 -1.863 1.00 0.00 C ATOM 0 H MET A 43 15.861 -25.309 -0.791 1.00 0.00 H new ATOM 0 HA MET A 43 15.650 -26.961 1.612 1.00 0.00 H new ATOM 0 HB2 MET A 43 14.921 -27.311 -1.315 1.00 0.00 H new ATOM 0 HB3 MET A 43 14.838 -28.635 -0.170 1.00 0.00 H new ATOM 0 HG2 MET A 43 12.679 -27.904 -0.001 1.00 0.00 H new ATOM 0 HG3 MET A 43 13.394 -26.889 1.236 1.00 0.00 H new ATOM 0 HE1 MET A 43 11.338 -25.582 -2.575 1.00 0.00 H new ATOM 0 HE2 MET A 43 12.130 -27.166 -2.399 1.00 0.00 H new ATOM 0 HE3 MET A 43 10.797 -26.712 -1.311 1.00 0.00 H new ATOM 737 N VAL A 51 18.146 -27.871 -10.036 1.00 0.00 N ATOM 738 CA VAL A 51 17.151 -26.896 -10.464 1.00 0.00 C ATOM 739 C VAL A 51 17.463 -25.511 -9.906 1.00 0.00 C ATOM 740 O VAL A 51 17.277 -24.501 -10.582 1.00 0.00 O ATOM 741 CB VAL A 51 15.734 -27.308 -10.021 1.00 0.00 C ATOM 742 CG1 VAL A 51 15.653 -27.397 -8.505 1.00 0.00 C ATOM 743 CG2 VAL A 51 14.702 -26.329 -10.562 1.00 0.00 C ATOM 0 HA VAL A 51 17.188 -26.863 -11.553 1.00 0.00 H new ATOM 0 HB VAL A 51 15.516 -28.294 -10.431 1.00 0.00 H new ATOM 0 HG11 VAL A 51 14.645 -27.689 -8.211 1.00 0.00 H new ATOM 0 HG12 VAL A 51 16.365 -28.140 -8.146 1.00 0.00 H new ATOM 0 HG13 VAL A 51 15.891 -26.426 -8.070 1.00 0.00 H new ATOM 0 HG21 VAL A 51 13.707 -26.635 -10.240 1.00 0.00 H new ATOM 0 HG22 VAL A 51 14.915 -25.329 -10.183 1.00 0.00 H new ATOM 0 HG23 VAL A 51 14.744 -26.321 -11.651 1.00 0.00 H new ATOM 753 N ALA A 52 17.941 -25.473 -8.666 1.00 0.00 N ATOM 754 CA ALA A 52 18.283 -24.213 -8.017 1.00 0.00 C ATOM 755 C ALA A 52 19.791 -23.986 -8.017 1.00 0.00 C ATOM 756 O ALA A 52 20.269 -22.928 -7.606 1.00 0.00 O ATOM 757 CB ALA A 52 17.743 -24.189 -6.595 1.00 0.00 C ATOM 0 H ALA A 52 18.100 -26.300 -8.091 1.00 0.00 H new ATOM 0 HA ALA A 52 17.821 -23.404 -8.583 1.00 0.00 H new ATOM 0 HB1 ALA A 52 18.005 -23.243 -6.122 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.658 -24.296 -6.616 1.00 0.00 H new ATOM 0 HB3 ALA A 52 18.178 -25.011 -6.027 1.00 0.00 H new ATOM 763 N CYS A 53 20.535 -24.986 -8.478 1.00 0.00 N ATOM 764 CA CYS A 53 21.989 -24.896 -8.529 1.00 0.00 C ATOM 765 C CYS A 53 22.436 -23.907 -9.601 1.00 0.00 C ATOM 766 O CYS A 53 23.439 -23.214 -9.439 1.00 0.00 O ATOM 767 CB CYS A 53 22.597 -26.272 -8.803 1.00 0.00 C ATOM 768 SG CYS A 53 22.815 -26.646 -10.559 1.00 0.00 S ATOM 0 H CYS A 53 20.155 -25.868 -8.822 1.00 0.00 H new ATOM 0 HA CYS A 53 22.340 -24.538 -7.561 1.00 0.00 H new ATOM 0 HB2 CYS A 53 23.565 -26.335 -8.306 1.00 0.00 H new ATOM 0 HB3 CYS A 53 21.959 -27.035 -8.356 1.00 0.00 H new ATOM 0 HG CYS A 53 23.337 -27.829 -10.689 1.00 0.00 H new ATOM 774 N GLU A 54 21.683 -23.849 -10.695 1.00 0.00 N ATOM 775 CA GLU A 54 22.004 -22.946 -11.794 1.00 0.00 C ATOM 776 C GLU A 54 21.315 -21.596 -11.608 1.00 0.00 C ATOM 777 O GLU A 54 21.797 -20.572 -12.090 1.00 0.00 O ATOM 778 CB GLU A 54 21.585 -23.564 -13.129 1.00 0.00 C ATOM 779 CG GLU A 54 22.298 -22.961 -14.328 1.00 0.00 C ATOM 780 CD GLU A 54 23.791 -23.221 -14.311 1.00 0.00 C ATOM 781 OE1 GLU A 54 24.190 -24.397 -14.442 1.00 0.00 O ATOM 782 OE2 GLU A 54 24.561 -22.248 -14.166 1.00 0.00 O ATOM 0 H GLU A 54 20.848 -24.416 -10.844 1.00 0.00 H new ATOM 0 HA GLU A 54 23.082 -22.787 -11.797 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.781 -24.636 -13.101 1.00 0.00 H new ATOM 0 HB3 GLU A 54 20.510 -23.440 -13.256 1.00 0.00 H new ATOM 0 HG2 GLU A 54 21.872 -23.372 -15.243 1.00 0.00 H new ATOM 0 HG3 GLU A 54 22.121 -21.886 -14.348 1.00 0.00 H new ATOM 789 N GLN A 55 20.187 -21.606 -10.906 1.00 0.00 N ATOM 790 CA GLN A 55 19.432 -20.384 -10.657 1.00 0.00 C ATOM 791 C GLN A 55 20.211 -19.437 -9.751 1.00 0.00 C ATOM 792 O GLN A 55 20.023 -18.221 -9.798 1.00 0.00 O ATOM 793 CB GLN A 55 18.079 -20.715 -10.025 1.00 0.00 C ATOM 794 CG GLN A 55 17.143 -19.520 -9.929 1.00 0.00 C ATOM 795 CD GLN A 55 16.665 -19.044 -11.287 1.00 0.00 C ATOM 796 OE1 GLN A 55 17.025 -17.956 -11.738 1.00 0.00 O ATOM 797 NE2 GLN A 55 15.849 -19.857 -11.947 1.00 0.00 N ATOM 0 H GLN A 55 19.776 -22.446 -10.500 1.00 0.00 H new ATOM 0 HA GLN A 55 19.267 -19.888 -11.614 1.00 0.00 H new ATOM 0 HB2 GLN A 55 17.596 -21.498 -10.610 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.243 -21.119 -9.026 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.281 -19.786 -9.317 1.00 0.00 H new ATOM 0 HG3 GLN A 55 17.654 -18.702 -9.421 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.576 -20.750 -11.536 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.495 -19.589 -12.865 1.00 0.00 H new ATOM 806 N PHE A 56 21.088 -20.002 -8.928 1.00 0.00 N ATOM 807 CA PHE A 56 21.897 -19.208 -8.010 1.00 0.00 C ATOM 808 C PHE A 56 23.311 -19.022 -8.551 1.00 0.00 C ATOM 809 O PHE A 56 23.764 -17.897 -8.765 1.00 0.00 O ATOM 810 CB PHE A 56 21.948 -19.876 -6.634 1.00 0.00 C ATOM 811 CG PHE A 56 20.592 -20.123 -6.037 1.00 0.00 C ATOM 812 CD1 PHE A 56 19.462 -19.540 -6.586 1.00 0.00 C ATOM 813 CD2 PHE A 56 20.449 -20.937 -4.924 1.00 0.00 C ATOM 814 CE1 PHE A 56 18.212 -19.766 -6.039 1.00 0.00 C ATOM 815 CE2 PHE A 56 19.202 -21.166 -4.372 1.00 0.00 C ATOM 816 CZ PHE A 56 18.084 -20.579 -4.929 1.00 0.00 C ATOM 0 H PHE A 56 21.257 -21.007 -8.878 1.00 0.00 H new ATOM 0 HA PHE A 56 21.433 -18.226 -7.913 1.00 0.00 H new ATOM 0 HB2 PHE A 56 22.477 -20.825 -6.719 1.00 0.00 H new ATOM 0 HB3 PHE A 56 22.526 -19.249 -5.956 1.00 0.00 H new ATOM 0 HD1 PHE A 56 19.558 -18.901 -7.452 1.00 0.00 H new ATOM 0 HD2 PHE A 56 21.321 -21.397 -4.483 1.00 0.00 H new ATOM 0 HE1 PHE A 56 17.338 -19.308 -6.478 1.00 0.00 H new ATOM 0 HE2 PHE A 56 19.103 -21.804 -3.506 1.00 0.00 H new ATOM 0 HZ PHE A 56 17.110 -20.755 -4.498 1.00 0.00 H new ATOM 904 N GLN A 62 22.794 -11.329 -4.168 1.00 0.00 N ATOM 905 CA GLN A 62 21.690 -10.399 -4.379 1.00 0.00 C ATOM 906 C GLN A 62 20.670 -10.979 -5.354 1.00 0.00 C ATOM 907 O GLN A 62 19.462 -10.856 -5.149 1.00 0.00 O ATOM 908 CB GLN A 62 22.215 -9.063 -4.907 1.00 0.00 C ATOM 909 CG GLN A 62 23.139 -8.347 -3.936 1.00 0.00 C ATOM 910 CD GLN A 62 24.021 -7.322 -4.620 1.00 0.00 C ATOM 911 OE1 GLN A 62 25.155 -7.616 -5.000 1.00 0.00 O ATOM 912 NE2 GLN A 62 23.506 -6.108 -4.780 1.00 0.00 N ATOM 0 HA GLN A 62 21.198 -10.234 -3.421 1.00 0.00 H new ATOM 0 HB2 GLN A 62 22.747 -9.235 -5.842 1.00 0.00 H new ATOM 0 HB3 GLN A 62 21.369 -8.415 -5.136 1.00 0.00 H new ATOM 0 HG2 GLN A 62 22.542 -7.853 -3.169 1.00 0.00 H new ATOM 0 HG3 GLN A 62 23.766 -9.080 -3.429 1.00 0.00 H new ATOM 0 HE21 GLN A 62 22.562 -5.907 -4.450 1.00 0.00 H new ATOM 0 HE22 GLN A 62 24.055 -5.377 -5.233 1.00 0.00 H new ATOM 921 N ASP A 63 21.163 -11.610 -6.414 1.00 0.00 N ATOM 922 CA ASP A 63 20.294 -12.210 -7.419 1.00 0.00 C ATOM 923 C ASP A 63 19.310 -13.182 -6.777 1.00 0.00 C ATOM 924 O ASP A 63 18.108 -13.129 -7.041 1.00 0.00 O ATOM 925 CB ASP A 63 21.127 -12.932 -8.479 1.00 0.00 C ATOM 926 CG ASP A 63 21.504 -12.028 -9.635 1.00 0.00 C ATOM 927 OD1 ASP A 63 22.211 -11.024 -9.398 1.00 0.00 O ATOM 928 OD2 ASP A 63 21.093 -12.322 -10.777 1.00 0.00 O ATOM 0 H ASP A 63 22.160 -11.719 -6.599 1.00 0.00 H new ATOM 0 HA ASP A 63 19.727 -11.411 -7.897 1.00 0.00 H new ATOM 0 HB2 ASP A 63 22.033 -13.325 -8.019 1.00 0.00 H new ATOM 0 HB3 ASP A 63 20.566 -13.786 -8.858 1.00 0.00 H new ATOM 933 N ILE A 64 19.828 -14.071 -5.936 1.00 0.00 N ATOM 934 CA ILE A 64 18.995 -15.056 -5.257 1.00 0.00 C ATOM 935 C ILE A 64 17.823 -14.388 -4.545 1.00 0.00 C ATOM 936 O ILE A 64 16.672 -14.527 -4.957 1.00 0.00 O ATOM 937 CB ILE A 64 19.807 -15.870 -4.233 1.00 0.00 C ATOM 938 CG1 ILE A 64 20.720 -16.868 -4.950 1.00 0.00 C ATOM 939 CG2 ILE A 64 18.876 -16.592 -3.271 1.00 0.00 C ATOM 940 CD1 ILE A 64 21.967 -16.238 -5.527 1.00 0.00 C ATOM 0 H ILE A 64 20.821 -14.129 -5.709 1.00 0.00 H new ATOM 0 HA ILE A 64 18.614 -15.730 -6.024 1.00 0.00 H new ATOM 0 HB ILE A 64 20.430 -15.184 -3.658 1.00 0.00 H new ATOM 0 HG12 ILE A 64 21.009 -17.652 -4.250 1.00 0.00 H new ATOM 0 HG13 ILE A 64 20.160 -17.348 -5.753 1.00 0.00 H new ATOM 0 HG21 ILE A 64 19.466 -17.163 -2.554 1.00 0.00 H new ATOM 0 HG22 ILE A 64 18.265 -15.862 -2.740 1.00 0.00 H new ATOM 0 HG23 ILE A 64 18.229 -17.269 -3.829 1.00 0.00 H new ATOM 0 HD11 ILE A 64 22.567 -17.003 -6.020 1.00 0.00 H new ATOM 0 HD12 ILE A 64 21.687 -15.474 -6.252 1.00 0.00 H new ATOM 0 HD13 ILE A 64 22.548 -15.782 -4.726 1.00 0.00 H new ATOM 952 N LYS A 65 18.125 -13.661 -3.475 1.00 0.00 N ATOM 953 CA LYS A 65 17.099 -12.967 -2.706 1.00 0.00 C ATOM 954 C LYS A 65 16.049 -12.356 -3.628 1.00 0.00 C ATOM 955 O LYS A 65 14.849 -12.519 -3.411 1.00 0.00 O ATOM 956 CB LYS A 65 17.732 -11.875 -1.841 1.00 0.00 C ATOM 957 CG LYS A 65 18.144 -12.354 -0.460 1.00 0.00 C ATOM 958 CD LYS A 65 19.445 -13.139 -0.509 1.00 0.00 C ATOM 959 CE LYS A 65 19.827 -13.669 0.865 1.00 0.00 C ATOM 960 NZ LYS A 65 20.625 -12.678 1.640 1.00 0.00 N ATOM 0 H LYS A 65 19.073 -13.537 -3.120 1.00 0.00 H new ATOM 0 HA LYS A 65 16.610 -13.695 -2.059 1.00 0.00 H new ATOM 0 HB2 LYS A 65 18.608 -11.479 -2.355 1.00 0.00 H new ATOM 0 HB3 LYS A 65 17.025 -11.052 -1.735 1.00 0.00 H new ATOM 0 HG2 LYS A 65 18.259 -11.497 0.204 1.00 0.00 H new ATOM 0 HG3 LYS A 65 17.356 -12.979 -0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 65 19.343 -13.971 -1.206 1.00 0.00 H new ATOM 0 HD3 LYS A 65 20.243 -12.501 -0.889 1.00 0.00 H new ATOM 0 HE2 LYS A 65 18.924 -13.922 1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 65 20.401 -14.589 0.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 20.865 -13.077 2.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 21.499 -12.455 1.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 20.068 -11.809 1.769 1.00 0.00 H new ATOM 974 N ASN A 66 16.508 -11.654 -4.659 1.00 0.00 N ATOM 975 CA ASN A 66 15.608 -11.019 -5.614 1.00 0.00 C ATOM 976 C ASN A 66 14.733 -12.057 -6.309 1.00 0.00 C ATOM 977 O ASN A 66 13.556 -11.814 -6.578 1.00 0.00 O ATOM 978 CB ASN A 66 16.407 -10.231 -6.654 1.00 0.00 C ATOM 979 CG ASN A 66 16.852 -8.876 -6.135 1.00 0.00 C ATOM 980 OD1 ASN A 66 16.027 -8.016 -5.825 1.00 0.00 O ATOM 981 ND2 ASN A 66 18.161 -8.681 -6.040 1.00 0.00 N ATOM 0 H ASN A 66 17.499 -11.511 -4.854 1.00 0.00 H new ATOM 0 HA ASN A 66 14.962 -10.333 -5.066 1.00 0.00 H new ATOM 0 HB2 ASN A 66 17.282 -10.809 -6.950 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.799 -10.093 -7.548 1.00 0.00 H new ATOM 0 HD21 ASN A 66 18.520 -7.790 -5.699 1.00 0.00 H new ATOM 0 HD22 ASN A 66 18.808 -9.423 -6.308 1.00 0.00 H new ATOM 988 N VAL A 67 15.316 -13.217 -6.598 1.00 0.00 N ATOM 989 CA VAL A 67 14.589 -14.293 -7.260 1.00 0.00 C ATOM 990 C VAL A 67 13.459 -14.816 -6.381 1.00 0.00 C ATOM 991 O VAL A 67 12.294 -14.805 -6.779 1.00 0.00 O ATOM 992 CB VAL A 67 15.525 -15.462 -7.622 1.00 0.00 C ATOM 993 CG1 VAL A 67 14.749 -16.576 -8.306 1.00 0.00 C ATOM 994 CG2 VAL A 67 16.667 -14.977 -8.503 1.00 0.00 C ATOM 0 H VAL A 67 16.289 -13.435 -6.384 1.00 0.00 H new ATOM 0 HA VAL A 67 14.169 -13.875 -8.175 1.00 0.00 H new ATOM 0 HB VAL A 67 15.951 -15.862 -6.702 1.00 0.00 H new ATOM 0 HG11 VAL A 67 15.427 -17.393 -8.554 1.00 0.00 H new ATOM 0 HG12 VAL A 67 13.971 -16.941 -7.636 1.00 0.00 H new ATOM 0 HG13 VAL A 67 14.292 -16.194 -9.219 1.00 0.00 H new ATOM 0 HG21 VAL A 67 17.318 -15.816 -8.749 1.00 0.00 H new ATOM 0 HG22 VAL A 67 16.263 -14.550 -9.421 1.00 0.00 H new ATOM 0 HG23 VAL A 67 17.239 -14.217 -7.971 1.00 0.00 H new ATOM 1004 N VAL A 68 13.811 -15.272 -5.183 1.00 0.00 N ATOM 1005 CA VAL A 68 12.825 -15.797 -4.246 1.00 0.00 C ATOM 1006 C VAL A 68 11.773 -14.746 -3.908 1.00 0.00 C ATOM 1007 O VAL A 68 10.599 -15.065 -3.717 1.00 0.00 O ATOM 1008 CB VAL A 68 13.490 -16.278 -2.943 1.00 0.00 C ATOM 1009 CG1 VAL A 68 12.444 -16.806 -1.972 1.00 0.00 C ATOM 1010 CG2 VAL A 68 14.536 -17.341 -3.241 1.00 0.00 C ATOM 0 H VAL A 68 14.771 -15.288 -4.839 1.00 0.00 H new ATOM 0 HA VAL A 68 12.344 -16.644 -4.735 1.00 0.00 H new ATOM 0 HB VAL A 68 13.989 -15.429 -2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 68 12.933 -17.141 -1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.735 -16.013 -1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.914 -17.642 -2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.996 -17.670 -2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 68 14.061 -18.191 -3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.301 -16.925 -3.896 1.00 0.00 H new ATOM 1020 N LEU A 69 12.201 -13.491 -3.836 1.00 0.00 N ATOM 1021 CA LEU A 69 11.296 -12.391 -3.523 1.00 0.00 C ATOM 1022 C LEU A 69 10.350 -12.114 -4.687 1.00 0.00 C ATOM 1023 O LEU A 69 9.173 -11.817 -4.485 1.00 0.00 O ATOM 1024 CB LEU A 69 12.092 -11.128 -3.187 1.00 0.00 C ATOM 1025 CG LEU A 69 11.312 -9.814 -3.219 1.00 0.00 C ATOM 1026 CD1 LEU A 69 10.392 -9.710 -2.012 1.00 0.00 C ATOM 1027 CD2 LEU A 69 12.265 -8.629 -3.268 1.00 0.00 C ATOM 0 H LEU A 69 13.169 -13.210 -3.990 1.00 0.00 H new ATOM 0 HA LEU A 69 10.701 -12.680 -2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.522 -11.248 -2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.924 -11.050 -3.887 1.00 0.00 H new ATOM 0 HG LEU A 69 10.699 -9.800 -4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.845 -8.768 -2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.686 -10.540 -2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.985 -9.747 -1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.692 -7.702 -3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.904 -8.639 -2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.883 -8.695 -4.164 1.00 0.00 H new ATOM 1039 N GLN A 70 10.873 -12.216 -5.905 1.00 0.00 N ATOM 1040 CA GLN A 70 10.074 -11.979 -7.101 1.00 0.00 C ATOM 1041 C GLN A 70 8.867 -12.909 -7.143 1.00 0.00 C ATOM 1042 O GLN A 70 7.779 -12.515 -7.564 1.00 0.00 O ATOM 1043 CB GLN A 70 10.927 -12.172 -8.356 1.00 0.00 C ATOM 1044 CG GLN A 70 11.791 -10.967 -8.696 1.00 0.00 C ATOM 1045 CD GLN A 70 12.969 -11.326 -9.579 1.00 0.00 C ATOM 1046 OE1 GLN A 70 13.325 -12.497 -9.715 1.00 0.00 O ATOM 1047 NE2 GLN A 70 13.583 -10.316 -10.186 1.00 0.00 N ATOM 0 H GLN A 70 11.846 -12.461 -6.089 1.00 0.00 H new ATOM 0 HA GLN A 70 9.715 -10.950 -7.069 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.569 -13.042 -8.218 1.00 0.00 H new ATOM 0 HB3 GLN A 70 10.273 -12.389 -9.200 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.180 -10.217 -9.198 1.00 0.00 H new ATOM 0 HG3 GLN A 70 12.157 -10.515 -7.774 1.00 0.00 H new ATOM 0 HE21 GLN A 70 13.254 -9.361 -10.045 1.00 0.00 H new ATOM 0 HE22 GLN A 70 14.383 -10.496 -10.793 1.00 0.00 H new ATOM 1056 N THR A 71 9.066 -14.149 -6.705 1.00 0.00 N ATOM 1057 CA THR A 71 7.995 -15.137 -6.695 1.00 0.00 C ATOM 1058 C THR A 71 6.874 -14.723 -5.748 1.00 0.00 C ATOM 1059 O THR A 71 5.709 -14.654 -6.142 1.00 0.00 O ATOM 1060 CB THR A 71 8.516 -16.525 -6.279 1.00 0.00 C ATOM 1061 OG1 THR A 71 9.625 -16.900 -7.104 1.00 0.00 O ATOM 1062 CG2 THR A 71 7.418 -17.572 -6.393 1.00 0.00 C ATOM 0 H THR A 71 9.960 -14.492 -6.353 1.00 0.00 H new ATOM 0 HA THR A 71 7.606 -15.192 -7.712 1.00 0.00 H new ATOM 0 HB THR A 71 8.838 -16.470 -5.239 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.489 -17.810 -7.442 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.810 -18.544 -6.094 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.587 -17.300 -5.742 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.070 -17.623 -7.425 1.00 0.00 H new ATOM 1070 N LEU A 72 7.233 -14.447 -4.499 1.00 0.00 N ATOM 1071 CA LEU A 72 6.256 -14.038 -3.495 1.00 0.00 C ATOM 1072 C LEU A 72 5.685 -12.662 -3.820 1.00 0.00 C ATOM 1073 O LEU A 72 4.476 -12.505 -3.985 1.00 0.00 O ATOM 1074 CB LEU A 72 6.899 -14.021 -2.108 1.00 0.00 C ATOM 1075 CG LEU A 72 7.319 -15.380 -1.546 1.00 0.00 C ATOM 1076 CD1 LEU A 72 8.105 -15.205 -0.255 1.00 0.00 C ATOM 1077 CD2 LEU A 72 6.100 -16.262 -1.314 1.00 0.00 C ATOM 0 H LEU A 72 8.193 -14.499 -4.157 1.00 0.00 H new ATOM 0 HA LEU A 72 5.440 -14.760 -3.502 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.778 -13.378 -2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.198 -13.563 -1.410 1.00 0.00 H new ATOM 0 HG LEU A 72 7.963 -15.869 -2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.395 -16.183 0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.999 -14.612 -0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.485 -14.694 0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.418 -17.225 -0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.430 -15.777 -0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.577 -16.416 -2.258 1.00 0.00 H new ATOM 1089 N GLU A 73 6.564 -11.670 -3.913 1.00 0.00 N ATOM 1090 CA GLU A 73 6.145 -10.307 -4.220 1.00 0.00 C ATOM 1091 C GLU A 73 5.148 -10.291 -5.375 1.00 0.00 C ATOM 1092 O GLU A 73 4.130 -9.601 -5.320 1.00 0.00 O ATOM 1093 CB GLU A 73 7.359 -9.443 -4.569 1.00 0.00 C ATOM 1094 CG GLU A 73 7.220 -7.994 -4.135 1.00 0.00 C ATOM 1095 CD GLU A 73 8.002 -7.042 -5.019 1.00 0.00 C ATOM 1096 OE1 GLU A 73 9.180 -7.337 -5.312 1.00 0.00 O ATOM 1097 OE2 GLU A 73 7.436 -6.002 -5.419 1.00 0.00 O ATOM 0 H GLU A 73 7.569 -11.784 -3.781 1.00 0.00 H new ATOM 0 HA GLU A 73 5.657 -9.897 -3.336 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.245 -9.870 -4.100 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.521 -9.477 -5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.167 -7.714 -4.149 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.563 -7.893 -3.105 1.00 0.00 H new ATOM 1104 N GLY A 74 5.449 -11.055 -6.419 1.00 0.00 N ATOM 1105 CA GLY A 74 4.570 -11.115 -7.573 1.00 0.00 C ATOM 1106 C GLY A 74 3.166 -11.558 -7.210 1.00 0.00 C ATOM 1107 O GLY A 74 2.200 -10.825 -7.426 1.00 0.00 O ATOM 0 H GLY A 74 6.286 -11.634 -6.487 1.00 0.00 H new ATOM 0 HA2 GLY A 74 4.527 -10.133 -8.045 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.987 -11.804 -8.308 1.00 0.00 H new ATOM 1111 N HIS A 75 3.051 -12.762 -6.659 1.00 0.00 N ATOM 1112 CA HIS A 75 1.754 -13.303 -6.266 1.00 0.00 C ATOM 1113 C HIS A 75 0.956 -12.274 -5.470 1.00 0.00 C ATOM 1114 O HIS A 75 -0.246 -12.105 -5.684 1.00 0.00 O ATOM 1115 CB HIS A 75 1.938 -14.575 -5.439 1.00 0.00 C ATOM 1116 CG HIS A 75 2.148 -15.804 -6.269 1.00 0.00 C ATOM 1117 ND1 HIS A 75 1.248 -16.229 -7.224 1.00 0.00 N ATOM 1118 CD2 HIS A 75 3.163 -16.700 -6.283 1.00 0.00 C ATOM 1119 CE1 HIS A 75 1.701 -17.334 -7.789 1.00 0.00 C ATOM 1120 NE2 HIS A 75 2.860 -17.641 -7.236 1.00 0.00 N ATOM 0 H HIS A 75 3.840 -13.382 -6.474 1.00 0.00 H new ATOM 0 HA HIS A 75 1.199 -13.546 -7.172 1.00 0.00 H new ATOM 0 HB2 HIS A 75 2.792 -14.446 -4.774 1.00 0.00 H new ATOM 0 HB3 HIS A 75 1.061 -14.718 -4.808 1.00 0.00 H new ATOM 0 HD1 HIS A 75 0.371 -15.763 -7.457 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.046 -16.679 -5.661 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.207 -17.892 -8.571 1.00 0.00 H new ATOM 1129 N LEU A 76 1.630 -11.592 -4.551 1.00 0.00 N ATOM 1130 CA LEU A 76 0.983 -10.581 -3.722 1.00 0.00 C ATOM 1131 C LEU A 76 0.099 -9.669 -4.567 1.00 0.00 C ATOM 1132 O LEU A 76 -1.097 -9.532 -4.305 1.00 0.00 O ATOM 1133 CB LEU A 76 2.034 -9.750 -2.984 1.00 0.00 C ATOM 1134 CG LEU A 76 1.522 -8.899 -1.821 1.00 0.00 C ATOM 1135 CD1 LEU A 76 1.379 -9.742 -0.564 1.00 0.00 C ATOM 1136 CD2 LEU A 76 2.451 -7.720 -1.573 1.00 0.00 C ATOM 0 H LEU A 76 2.624 -11.720 -4.361 1.00 0.00 H new ATOM 0 HA LEU A 76 0.355 -11.092 -2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.801 -10.425 -2.604 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.518 -9.091 -3.704 1.00 0.00 H new ATOM 0 HG LEU A 76 0.539 -8.511 -2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.014 -9.119 0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.672 -10.551 -0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.349 -10.161 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.071 -7.126 -0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.448 -8.087 -1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.501 -7.101 -2.469 1.00 0.00 H new ATOM 1148 N ARG A 77 0.693 -9.048 -5.580 1.00 0.00 N ATOM 1149 CA ARG A 77 -0.041 -8.151 -6.463 1.00 0.00 C ATOM 1150 C ARG A 77 -1.231 -8.865 -7.097 1.00 0.00 C ATOM 1151 O ARG A 77 -2.330 -8.316 -7.171 1.00 0.00 O ATOM 1152 CB ARG A 77 0.882 -7.608 -7.556 1.00 0.00 C ATOM 1153 CG ARG A 77 0.299 -6.429 -8.316 1.00 0.00 C ATOM 1154 CD ARG A 77 1.312 -5.828 -9.278 1.00 0.00 C ATOM 1155 NE ARG A 77 1.558 -6.696 -10.427 1.00 0.00 N ATOM 1156 CZ ARG A 77 2.307 -6.346 -11.465 1.00 0.00 C ATOM 1157 NH1 ARG A 77 2.882 -5.152 -11.500 1.00 0.00 N ATOM 1158 NH2 ARG A 77 2.484 -7.191 -12.473 1.00 0.00 N ATOM 0 H ARG A 77 1.682 -9.150 -5.810 1.00 0.00 H new ATOM 0 HA ARG A 77 -0.414 -7.319 -5.865 1.00 0.00 H new ATOM 0 HB2 ARG A 77 1.827 -7.307 -7.105 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.106 -8.409 -8.261 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.582 -6.752 -8.870 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.030 -5.667 -7.610 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.952 -4.860 -9.626 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.250 -5.649 -8.752 1.00 0.00 H new ATOM 0 HE ARG A 77 1.130 -7.622 -10.432 1.00 0.00 H new ATOM 0 HH11 ARG A 77 2.749 -4.499 -10.728 1.00 0.00 H new ATOM 0 HH12 ARG A 77 3.457 -4.886 -12.299 1.00 0.00 H new ATOM 0 HH21 ARG A 77 2.044 -8.111 -12.451 1.00 0.00 H new ATOM 0 HH22 ARG A 77 3.060 -6.920 -13.270 1.00 0.00 H new ATOM 1172 N SER A 78 -1.004 -10.092 -7.554 1.00 0.00 N ATOM 1173 CA SER A 78 -2.056 -10.880 -8.186 1.00 0.00 C ATOM 1174 C SER A 78 -3.264 -11.013 -7.263 1.00 0.00 C ATOM 1175 O SER A 78 -4.401 -10.788 -7.675 1.00 0.00 O ATOM 1176 CB SER A 78 -1.530 -12.267 -8.559 1.00 0.00 C ATOM 1177 OG SER A 78 -0.971 -12.267 -9.861 1.00 0.00 O ATOM 0 H SER A 78 -0.101 -10.562 -7.499 1.00 0.00 H new ATOM 0 HA SER A 78 -2.368 -10.362 -9.093 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.776 -12.580 -7.836 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.341 -12.993 -8.508 1.00 0.00 H new ATOM 0 HG SER A 78 -0.640 -13.164 -10.075 1.00 0.00 H new ATOM 1183 N ILE A 79 -3.006 -11.381 -6.012 1.00 0.00 N ATOM 1184 CA ILE A 79 -4.070 -11.543 -5.029 1.00 0.00 C ATOM 1185 C ILE A 79 -4.667 -10.196 -4.638 1.00 0.00 C ATOM 1186 O ILE A 79 -5.866 -9.964 -4.799 1.00 0.00 O ATOM 1187 CB ILE A 79 -3.562 -12.255 -3.761 1.00 0.00 C ATOM 1188 CG1 ILE A 79 -2.850 -13.557 -4.131 1.00 0.00 C ATOM 1189 CG2 ILE A 79 -4.717 -12.529 -2.809 1.00 0.00 C ATOM 1190 CD1 ILE A 79 -3.796 -14.692 -4.456 1.00 0.00 C ATOM 0 H ILE A 79 -2.070 -11.572 -5.656 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.840 -12.157 -5.496 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.848 -11.603 -3.258 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.203 -13.377 -4.990 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.206 -13.857 -3.304 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.342 -13.032 -1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -5.185 -11.587 -2.524 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.452 -13.164 -3.303 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.222 -15.583 -4.709 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.426 -14.900 -3.591 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.423 -14.412 -5.302 1.00 0.00 H new ATOM 1202 N LEU A 80 -3.823 -9.308 -4.122 1.00 0.00 N ATOM 1203 CA LEU A 80 -4.266 -7.981 -3.709 1.00 0.00 C ATOM 1204 C LEU A 80 -5.276 -7.411 -4.700 1.00 0.00 C ATOM 1205 O LEU A 80 -6.230 -6.739 -4.312 1.00 0.00 O ATOM 1206 CB LEU A 80 -3.069 -7.038 -3.584 1.00 0.00 C ATOM 1207 CG LEU A 80 -3.197 -5.924 -2.545 1.00 0.00 C ATOM 1208 CD1 LEU A 80 -1.826 -5.393 -2.159 1.00 0.00 C ATOM 1209 CD2 LEU A 80 -4.077 -4.800 -3.074 1.00 0.00 C ATOM 0 H LEU A 80 -2.828 -9.483 -3.980 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.751 -8.073 -2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.188 -7.632 -3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.889 -6.581 -4.557 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.667 -6.338 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.938 -4.601 -1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.228 -6.201 -1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.328 -4.995 -3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.157 -4.016 -2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.635 -4.388 -3.981 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.070 -5.190 -3.299 1.00 0.00 H new ATOM 1221 N GLY A 81 -5.059 -7.686 -5.983 1.00 0.00 N ATOM 1222 CA GLY A 81 -5.959 -7.195 -7.009 1.00 0.00 C ATOM 1223 C GLY A 81 -7.408 -7.529 -6.718 1.00 0.00 C ATOM 1224 O GLY A 81 -8.251 -6.638 -6.613 1.00 0.00 O ATOM 0 H GLY A 81 -4.276 -8.240 -6.329 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.849 -6.114 -7.097 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.677 -7.623 -7.971 1.00 0.00 H new ATOM 1228 N THR A 82 -7.702 -8.819 -6.589 1.00 0.00 N ATOM 1229 CA THR A 82 -9.059 -9.270 -6.311 1.00 0.00 C ATOM 1230 C THR A 82 -9.426 -9.043 -4.849 1.00 0.00 C ATOM 1231 O THR A 82 -10.530 -9.379 -4.415 1.00 0.00 O ATOM 1232 CB THR A 82 -9.236 -10.763 -6.646 1.00 0.00 C ATOM 1233 OG1 THR A 82 -10.628 -11.078 -6.765 1.00 0.00 O ATOM 1234 CG2 THR A 82 -8.603 -11.637 -5.575 1.00 0.00 C ATOM 0 H THR A 82 -7.017 -9.570 -6.673 1.00 0.00 H new ATOM 0 HA THR A 82 -9.722 -8.682 -6.945 1.00 0.00 H new ATOM 0 HB THR A 82 -8.737 -10.960 -7.595 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.106 -10.752 -5.974 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.741 -12.687 -5.834 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.538 -11.417 -5.508 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.076 -11.435 -4.614 1.00 0.00 H new ATOM 1242 N LEU A 83 -8.497 -8.470 -4.093 1.00 0.00 N ATOM 1243 CA LEU A 83 -8.722 -8.197 -2.678 1.00 0.00 C ATOM 1244 C LEU A 83 -9.059 -6.726 -2.455 1.00 0.00 C ATOM 1245 O LEU A 83 -8.254 -5.842 -2.748 1.00 0.00 O ATOM 1246 CB LEU A 83 -7.487 -8.578 -1.861 1.00 0.00 C ATOM 1247 CG LEU A 83 -7.753 -9.118 -0.455 1.00 0.00 C ATOM 1248 CD1 LEU A 83 -8.659 -8.172 0.317 1.00 0.00 C ATOM 1249 CD2 LEU A 83 -8.365 -10.509 -0.525 1.00 0.00 C ATOM 0 H LEU A 83 -7.580 -8.185 -4.436 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.568 -8.800 -2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.926 -9.329 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.847 -7.700 -1.776 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.802 -9.188 0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.837 -8.572 1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.181 -7.196 0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.609 -8.069 -0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.547 -10.877 0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.307 -10.465 -1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.679 -11.183 -1.039 1.00 0.00 H new ATOM 1261 N THR A 84 -10.255 -6.471 -1.932 1.00 0.00 N ATOM 1262 CA THR A 84 -10.698 -5.108 -1.668 1.00 0.00 C ATOM 1263 C THR A 84 -9.969 -4.515 -0.468 1.00 0.00 C ATOM 1264 O THR A 84 -9.802 -5.176 0.558 1.00 0.00 O ATOM 1265 CB THR A 84 -12.217 -5.050 -1.412 1.00 0.00 C ATOM 1266 OG1 THR A 84 -12.534 -5.733 -0.194 1.00 0.00 O ATOM 1267 CG2 THR A 84 -12.984 -5.678 -2.566 1.00 0.00 C ATOM 0 H THR A 84 -10.934 -7.191 -1.683 1.00 0.00 H new ATOM 0 HA THR A 84 -10.464 -4.522 -2.557 1.00 0.00 H new ATOM 0 HB THR A 84 -12.510 -4.004 -1.328 1.00 0.00 H new ATOM 0 HG1 THR A 84 -12.429 -6.699 -0.323 1.00 0.00 H new ATOM 0 HG21 THR A 84 -14.054 -5.626 -2.363 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.762 -5.138 -3.487 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.686 -6.721 -2.676 1.00 0.00 H new ATOM 1275 N VAL A 85 -9.538 -3.265 -0.601 1.00 0.00 N ATOM 1276 CA VAL A 85 -8.829 -2.582 0.474 1.00 0.00 C ATOM 1277 C VAL A 85 -9.410 -2.948 1.835 1.00 0.00 C ATOM 1278 O VAL A 85 -8.719 -3.508 2.686 1.00 0.00 O ATOM 1279 CB VAL A 85 -8.882 -1.053 0.299 1.00 0.00 C ATOM 1280 CG1 VAL A 85 -8.537 -0.353 1.605 1.00 0.00 C ATOM 1281 CG2 VAL A 85 -7.946 -0.611 -0.815 1.00 0.00 C ATOM 0 H VAL A 85 -9.668 -2.704 -1.443 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.790 -2.909 0.426 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.898 -0.772 0.021 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -8.580 0.727 1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -9.252 -0.645 2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.532 -0.638 1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.997 0.472 -0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.925 -0.904 -0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -8.245 -1.084 -1.750 1.00 0.00 H new ATOM 1291 N GLU A 86 -10.684 -2.627 2.035 1.00 0.00 N ATOM 1292 CA GLU A 86 -11.357 -2.922 3.293 1.00 0.00 C ATOM 1293 C GLU A 86 -10.930 -4.284 3.832 1.00 0.00 C ATOM 1294 O GLU A 86 -10.332 -4.378 4.903 1.00 0.00 O ATOM 1295 CB GLU A 86 -12.876 -2.890 3.105 1.00 0.00 C ATOM 1296 CG GLU A 86 -13.419 -1.510 2.775 1.00 0.00 C ATOM 1297 CD GLU A 86 -14.878 -1.540 2.361 1.00 0.00 C ATOM 1298 OE1 GLU A 86 -15.178 -2.096 1.284 1.00 0.00 O ATOM 1299 OE2 GLU A 86 -15.719 -1.008 3.115 1.00 0.00 O ATOM 0 H GLU A 86 -11.270 -2.163 1.342 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.071 -2.158 4.016 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.149 -3.579 2.306 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.354 -3.251 4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.305 -0.862 3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.826 -1.073 1.971 1.00 0.00 H new ATOM 1306 N GLN A 87 -11.244 -5.336 3.083 1.00 0.00 N ATOM 1307 CA GLN A 87 -10.893 -6.693 3.487 1.00 0.00 C ATOM 1308 C GLN A 87 -9.443 -6.764 3.955 1.00 0.00 C ATOM 1309 O GLN A 87 -9.155 -7.274 5.037 1.00 0.00 O ATOM 1310 CB GLN A 87 -11.116 -7.666 2.327 1.00 0.00 C ATOM 1311 CG GLN A 87 -12.582 -7.959 2.052 1.00 0.00 C ATOM 1312 CD GLN A 87 -12.775 -9.070 1.040 1.00 0.00 C ATOM 1313 OE1 GLN A 87 -12.284 -8.992 -0.087 1.00 0.00 O ATOM 1314 NE2 GLN A 87 -13.495 -10.114 1.436 1.00 0.00 N ATOM 0 H GLN A 87 -11.740 -5.275 2.194 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.538 -6.976 4.319 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -10.661 -7.254 1.426 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -10.602 -8.602 2.545 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.075 -8.233 2.985 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.068 -7.053 1.689 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -13.883 -10.138 2.379 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.659 -10.892 0.797 1.00 0.00 H new ATOM 1323 N ILE A 88 -8.535 -6.252 3.131 1.00 0.00 N ATOM 1324 CA ILE A 88 -7.116 -6.257 3.460 1.00 0.00 C ATOM 1325 C ILE A 88 -6.878 -5.735 4.874 1.00 0.00 C ATOM 1326 O ILE A 88 -6.243 -6.399 5.694 1.00 0.00 O ATOM 1327 CB ILE A 88 -6.303 -5.406 2.467 1.00 0.00 C ATOM 1328 CG1 ILE A 88 -6.624 -5.817 1.029 1.00 0.00 C ATOM 1329 CG2 ILE A 88 -4.813 -5.545 2.745 1.00 0.00 C ATOM 1330 CD1 ILE A 88 -5.751 -5.135 -0.002 1.00 0.00 C ATOM 0 H ILE A 88 -8.758 -5.828 2.230 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.781 -7.292 3.396 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.579 -4.360 2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.509 -6.897 0.934 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.669 -5.588 0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.252 -4.938 2.035 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.599 -5.208 3.759 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.519 -6.589 2.640 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.034 -5.473 -0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.883 -4.055 0.066 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.706 -5.385 0.183 1.00 0.00 H new ATOM 1342 N TYR A 89 -7.393 -4.543 5.152 1.00 0.00 N ATOM 1343 CA TYR A 89 -7.237 -3.931 6.466 1.00 0.00 C ATOM 1344 C TYR A 89 -7.900 -4.781 7.546 1.00 0.00 C ATOM 1345 O TYR A 89 -7.267 -5.154 8.533 1.00 0.00 O ATOM 1346 CB TYR A 89 -7.834 -2.523 6.471 1.00 0.00 C ATOM 1347 CG TYR A 89 -6.881 -1.458 5.976 1.00 0.00 C ATOM 1348 CD1 TYR A 89 -6.818 -1.126 4.629 1.00 0.00 C ATOM 1349 CD2 TYR A 89 -6.042 -0.785 6.856 1.00 0.00 C ATOM 1350 CE1 TYR A 89 -5.949 -0.155 4.172 1.00 0.00 C ATOM 1351 CE2 TYR A 89 -5.171 0.188 6.409 1.00 0.00 C ATOM 1352 CZ TYR A 89 -5.128 0.500 5.066 1.00 0.00 C ATOM 1353 OH TYR A 89 -4.259 1.468 4.616 1.00 0.00 O ATOM 0 H TYR A 89 -7.922 -3.981 4.485 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.171 -3.867 6.684 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -8.729 -2.515 5.849 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.148 -2.274 7.485 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -7.460 -1.636 3.926 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.072 -1.028 7.908 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.912 0.090 3.121 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.527 0.702 7.107 1.00 0.00 H new ATOM 0 HH TYR A 89 -3.355 1.271 4.938 1.00 0.00 H new ATOM 1363 N GLN A 90 -9.179 -5.083 7.348 1.00 0.00 N ATOM 1364 CA GLN A 90 -9.929 -5.889 8.304 1.00 0.00 C ATOM 1365 C GLN A 90 -9.069 -7.023 8.853 1.00 0.00 C ATOM 1366 O GLN A 90 -8.758 -7.059 10.044 1.00 0.00 O ATOM 1367 CB GLN A 90 -11.187 -6.459 7.647 1.00 0.00 C ATOM 1368 CG GLN A 90 -12.404 -5.556 7.778 1.00 0.00 C ATOM 1369 CD GLN A 90 -13.676 -6.219 7.289 1.00 0.00 C ATOM 1370 OE1 GLN A 90 -13.662 -6.981 6.321 1.00 0.00 O ATOM 1371 NE2 GLN A 90 -14.788 -5.930 7.955 1.00 0.00 N ATOM 0 H GLN A 90 -9.717 -4.782 6.535 1.00 0.00 H new ATOM 0 HA GLN A 90 -10.221 -5.245 9.133 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -10.987 -6.635 6.590 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.413 -7.427 8.094 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -12.527 -5.267 8.822 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.235 -4.640 7.212 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -14.755 -5.294 8.751 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -15.675 -6.345 7.670 1.00 0.00 H new ATOM 1380 N ASP A 91 -8.690 -7.948 7.978 1.00 0.00 N ATOM 1381 CA ASP A 91 -7.866 -9.083 8.375 1.00 0.00 C ATOM 1382 C ASP A 91 -6.599 -9.157 7.528 1.00 0.00 C ATOM 1383 O ASP A 91 -6.654 -9.467 6.337 1.00 0.00 O ATOM 1384 CB ASP A 91 -8.658 -10.386 8.244 1.00 0.00 C ATOM 1385 CG ASP A 91 -10.118 -10.216 8.618 1.00 0.00 C ATOM 1386 OD1 ASP A 91 -10.873 -9.634 7.811 1.00 0.00 O ATOM 1387 OD2 ASP A 91 -10.504 -10.664 9.716 1.00 0.00 O ATOM 0 H ASP A 91 -8.940 -7.934 6.989 1.00 0.00 H new ATOM 0 HA ASP A 91 -7.578 -8.945 9.417 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -8.588 -10.749 7.218 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -8.209 -11.147 8.882 1.00 0.00 H new ATOM 1392 N ARG A 92 -5.461 -8.870 8.150 1.00 0.00 N ATOM 1393 CA ARG A 92 -4.181 -8.902 7.453 1.00 0.00 C ATOM 1394 C ARG A 92 -3.650 -10.329 7.355 1.00 0.00 C ATOM 1395 O ARG A 92 -3.211 -10.768 6.291 1.00 0.00 O ATOM 1396 CB ARG A 92 -3.161 -8.016 8.173 1.00 0.00 C ATOM 1397 CG ARG A 92 -3.537 -6.543 8.186 1.00 0.00 C ATOM 1398 CD ARG A 92 -2.562 -5.727 9.019 1.00 0.00 C ATOM 1399 NE ARG A 92 -3.175 -4.509 9.543 1.00 0.00 N ATOM 1400 CZ ARG A 92 -2.613 -3.746 10.474 1.00 0.00 C ATOM 1401 NH1 ARG A 92 -1.432 -4.073 10.981 1.00 0.00 N ATOM 1402 NH2 ARG A 92 -3.234 -2.653 10.900 1.00 0.00 N ATOM 0 H ARG A 92 -5.399 -8.613 9.135 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.336 -8.520 6.444 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.051 -8.364 9.200 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.189 -8.130 7.692 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.553 -6.161 7.165 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.544 -6.427 8.586 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -2.197 -6.334 9.847 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -1.697 -5.464 8.410 1.00 0.00 H new ATOM 0 HE ARG A 92 -4.084 -4.229 9.174 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -0.952 -4.913 10.656 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -1.003 -3.485 11.696 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.143 -2.399 10.513 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.803 -2.067 11.615 1.00 0.00 H new ATOM 1416 N ASP A 93 -3.692 -11.049 8.471 1.00 0.00 N ATOM 1417 CA ASP A 93 -3.216 -12.426 8.511 1.00 0.00 C ATOM 1418 C ASP A 93 -3.793 -13.234 7.353 1.00 0.00 C ATOM 1419 O ASP A 93 -3.053 -13.840 6.578 1.00 0.00 O ATOM 1420 CB ASP A 93 -3.592 -13.080 9.841 1.00 0.00 C ATOM 1421 CG ASP A 93 -2.650 -12.693 10.964 1.00 0.00 C ATOM 1422 OD1 ASP A 93 -1.457 -13.055 10.889 1.00 0.00 O ATOM 1423 OD2 ASP A 93 -3.105 -12.026 11.917 1.00 0.00 O ATOM 0 H ASP A 93 -4.051 -10.701 9.360 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.130 -12.412 8.416 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.609 -12.793 10.109 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.587 -14.164 9.724 1.00 0.00 H new ATOM 1428 N GLN A 94 -5.117 -13.239 7.242 1.00 0.00 N ATOM 1429 CA GLN A 94 -5.792 -13.974 6.178 1.00 0.00 C ATOM 1430 C GLN A 94 -5.200 -13.625 4.816 1.00 0.00 C ATOM 1431 O GLN A 94 -4.867 -14.510 4.028 1.00 0.00 O ATOM 1432 CB GLN A 94 -7.290 -13.669 6.190 1.00 0.00 C ATOM 1433 CG GLN A 94 -8.081 -14.463 5.163 1.00 0.00 C ATOM 1434 CD GLN A 94 -7.926 -15.961 5.338 1.00 0.00 C ATOM 1435 OE1 GLN A 94 -6.963 -16.543 4.634 1.00 0.00 O flip ATOM 1436 NE2 GLN A 94 -8.664 -16.588 6.098 1.00 0.00 N flip ATOM 0 H GLN A 94 -5.744 -12.743 7.875 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.644 -15.039 6.356 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.687 -13.879 7.183 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.437 -12.605 6.006 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -9.136 -14.199 5.239 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.754 -14.182 4.162 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -9.392 -16.100 6.620 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.548 -17.596 6.206 1.00 0.00 H new ATOM 1445 N PHE A 95 -5.073 -12.331 4.545 1.00 0.00 N ATOM 1446 CA PHE A 95 -4.524 -11.866 3.277 1.00 0.00 C ATOM 1447 C PHE A 95 -3.262 -12.642 2.913 1.00 0.00 C ATOM 1448 O PHE A 95 -3.230 -13.361 1.916 1.00 0.00 O ATOM 1449 CB PHE A 95 -4.212 -10.369 3.351 1.00 0.00 C ATOM 1450 CG PHE A 95 -3.637 -9.814 2.079 1.00 0.00 C ATOM 1451 CD1 PHE A 95 -4.195 -10.135 0.853 1.00 0.00 C ATOM 1452 CD2 PHE A 95 -2.537 -8.971 2.111 1.00 0.00 C ATOM 1453 CE1 PHE A 95 -3.668 -9.625 -0.319 1.00 0.00 C ATOM 1454 CE2 PHE A 95 -2.006 -8.458 0.944 1.00 0.00 C ATOM 1455 CZ PHE A 95 -2.572 -8.786 -0.273 1.00 0.00 C ATOM 0 H PHE A 95 -5.343 -11.585 5.187 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.271 -12.037 2.502 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.126 -9.827 3.594 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.510 -10.192 4.166 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.052 -10.791 0.812 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.090 -8.712 3.060 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -4.113 -9.882 -1.269 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -1.149 -7.801 0.983 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.158 -8.387 -1.187 1.00 0.00 H new ATOM 1465 N ALA A 96 -2.226 -12.492 3.731 1.00 0.00 N ATOM 1466 CA ALA A 96 -0.962 -13.180 3.497 1.00 0.00 C ATOM 1467 C ALA A 96 -1.186 -14.665 3.232 1.00 0.00 C ATOM 1468 O ALA A 96 -0.741 -15.199 2.216 1.00 0.00 O ATOM 1469 CB ALA A 96 -0.029 -12.989 4.684 1.00 0.00 C ATOM 0 H ALA A 96 -2.237 -11.900 4.562 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.499 -12.745 2.611 1.00 0.00 H new ATOM 0 HB1 ALA A 96 0.911 -13.508 4.495 1.00 0.00 H new ATOM 0 HB2 ALA A 96 0.166 -11.926 4.826 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.494 -13.396 5.582 1.00 0.00 H new ATOM 1475 N LYS A 97 -1.878 -15.327 4.152 1.00 0.00 N ATOM 1476 CA LYS A 97 -2.163 -16.750 4.017 1.00 0.00 C ATOM 1477 C LYS A 97 -2.401 -17.123 2.558 1.00 0.00 C ATOM 1478 O LYS A 97 -1.946 -18.168 2.090 1.00 0.00 O ATOM 1479 CB LYS A 97 -3.384 -17.130 4.857 1.00 0.00 C ATOM 1480 CG LYS A 97 -3.408 -18.589 5.275 1.00 0.00 C ATOM 1481 CD LYS A 97 -4.624 -18.906 6.127 1.00 0.00 C ATOM 1482 CE LYS A 97 -4.519 -18.274 7.506 1.00 0.00 C ATOM 1483 NZ LYS A 97 -3.406 -18.861 8.303 1.00 0.00 N ATOM 0 H LYS A 97 -2.252 -14.901 5.000 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.295 -17.303 4.378 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -3.408 -16.505 5.750 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -4.288 -16.909 4.289 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.409 -19.222 4.388 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.501 -18.823 5.833 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.523 -18.545 5.628 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.727 -19.986 6.228 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.364 -17.200 7.402 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.459 -18.410 8.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.529 -18.613 9.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.413 -19.896 8.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.499 -18.485 7.962 1.00 0.00 H new ATOM 1497 N LEU A 98 -3.116 -16.262 1.842 1.00 0.00 N ATOM 1498 CA LEU A 98 -3.414 -16.500 0.434 1.00 0.00 C ATOM 1499 C LEU A 98 -2.164 -16.331 -0.423 1.00 0.00 C ATOM 1500 O LEU A 98 -1.861 -17.172 -1.270 1.00 0.00 O ATOM 1501 CB LEU A 98 -4.508 -15.542 -0.046 1.00 0.00 C ATOM 1502 CG LEU A 98 -5.622 -15.242 0.957 1.00 0.00 C ATOM 1503 CD1 LEU A 98 -6.625 -14.265 0.362 1.00 0.00 C ATOM 1504 CD2 LEU A 98 -6.316 -16.527 1.384 1.00 0.00 C ATOM 0 H LEU A 98 -3.500 -15.393 2.213 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.767 -17.526 0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.039 -14.600 -0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.959 -15.959 -0.946 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.177 -14.783 1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.411 -14.063 1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.119 -13.334 0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.065 -14.697 -0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.106 -16.294 2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.749 -17.014 0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.591 -17.194 1.850 1.00 0.00 H new ATOM 1516 N VAL A 99 -1.439 -15.240 -0.196 1.00 0.00 N ATOM 1517 CA VAL A 99 -0.219 -14.963 -0.945 1.00 0.00 C ATOM 1518 C VAL A 99 0.792 -16.092 -0.784 1.00 0.00 C ATOM 1519 O VAL A 99 1.550 -16.395 -1.705 1.00 0.00 O ATOM 1520 CB VAL A 99 0.428 -13.640 -0.493 1.00 0.00 C ATOM 1521 CG1 VAL A 99 1.651 -13.327 -1.342 1.00 0.00 C ATOM 1522 CG2 VAL A 99 -0.581 -12.504 -0.560 1.00 0.00 C ATOM 0 H VAL A 99 -1.676 -14.534 0.501 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.503 -14.880 -1.994 1.00 0.00 H new ATOM 0 HB VAL A 99 0.751 -13.749 0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.095 -12.389 -1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.380 -14.130 -1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.355 -13.237 -2.387 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.107 -11.577 -0.237 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.936 -12.393 -1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.424 -12.727 0.094 1.00 0.00 H new ATOM 1532 N ARG A 100 0.799 -16.711 0.391 1.00 0.00 N ATOM 1533 CA ARG A 100 1.719 -17.806 0.674 1.00 0.00 C ATOM 1534 C ARG A 100 1.150 -19.134 0.182 1.00 0.00 C ATOM 1535 O ARG A 100 1.895 -20.044 -0.177 1.00 0.00 O ATOM 1536 CB ARG A 100 2.005 -17.886 2.175 1.00 0.00 C ATOM 1537 CG ARG A 100 0.831 -18.397 2.993 1.00 0.00 C ATOM 1538 CD ARG A 100 1.211 -18.593 4.452 1.00 0.00 C ATOM 1539 NE ARG A 100 0.272 -19.468 5.149 1.00 0.00 N ATOM 1540 CZ ARG A 100 0.453 -19.898 6.393 1.00 0.00 C ATOM 1541 NH1 ARG A 100 1.532 -19.535 7.073 1.00 0.00 N ATOM 1542 NH2 ARG A 100 -0.446 -20.692 6.960 1.00 0.00 N ATOM 0 H ARG A 100 0.177 -16.473 1.164 1.00 0.00 H new ATOM 0 HA ARG A 100 2.651 -17.611 0.144 1.00 0.00 H new ATOM 0 HB2 ARG A 100 2.862 -18.539 2.338 1.00 0.00 H new ATOM 0 HB3 ARG A 100 2.285 -16.896 2.536 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.003 -17.691 2.923 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.480 -19.342 2.577 1.00 0.00 H new ATOM 0 HD2 ARG A 100 2.214 -19.016 4.512 1.00 0.00 H new ATOM 0 HD3 ARG A 100 1.243 -17.625 4.951 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.569 -19.765 4.654 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.225 -18.924 6.641 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.668 -19.867 8.028 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.278 -20.973 6.441 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.305 -21.021 7.915 1.00 0.00 H new ATOM 1556 N GLU A 101 -0.176 -19.235 0.169 1.00 0.00 N ATOM 1557 CA GLU A 101 -0.844 -20.452 -0.277 1.00 0.00 C ATOM 1558 C GLU A 101 -0.723 -20.616 -1.789 1.00 0.00 C ATOM 1559 O GLU A 101 -0.608 -21.731 -2.297 1.00 0.00 O ATOM 1560 CB GLU A 101 -2.319 -20.429 0.128 1.00 0.00 C ATOM 1561 CG GLU A 101 -2.587 -21.054 1.488 1.00 0.00 C ATOM 1562 CD GLU A 101 -3.980 -21.642 1.594 1.00 0.00 C ATOM 1563 OE1 GLU A 101 -4.175 -22.792 1.148 1.00 0.00 O ATOM 1564 OE2 GLU A 101 -4.875 -20.953 2.126 1.00 0.00 O ATOM 0 H GLU A 101 -0.808 -18.490 0.462 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.356 -21.300 0.203 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.669 -19.397 0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.902 -20.957 -0.626 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.851 -21.836 1.676 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.455 -20.299 2.263 1.00 0.00 H new ATOM 1571 N VAL A 102 -0.751 -19.495 -2.504 1.00 0.00 N ATOM 1572 CA VAL A 102 -0.645 -19.512 -3.958 1.00 0.00 C ATOM 1573 C VAL A 102 0.809 -19.625 -4.401 1.00 0.00 C ATOM 1574 O VAL A 102 1.107 -20.202 -5.447 1.00 0.00 O ATOM 1575 CB VAL A 102 -1.263 -18.247 -4.581 1.00 0.00 C ATOM 1576 CG1 VAL A 102 -0.577 -16.998 -4.046 1.00 0.00 C ATOM 1577 CG2 VAL A 102 -1.177 -18.303 -6.098 1.00 0.00 C ATOM 0 H VAL A 102 -0.846 -18.564 -2.099 1.00 0.00 H new ATOM 0 HA VAL A 102 -1.197 -20.385 -4.305 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.316 -18.203 -4.301 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.027 -16.114 -4.498 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.696 -16.953 -2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.484 -17.031 -4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.619 -17.401 -6.521 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -0.132 -18.372 -6.401 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -1.718 -19.177 -6.461 1.00 0.00 H new ATOM 1587 N ALA A 103 1.711 -19.072 -3.598 1.00 0.00 N ATOM 1588 CA ALA A 103 3.136 -19.113 -3.906 1.00 0.00 C ATOM 1589 C ALA A 103 3.768 -20.407 -3.408 1.00 0.00 C ATOM 1590 O ALA A 103 4.667 -20.955 -4.043 1.00 0.00 O ATOM 1591 CB ALA A 103 3.842 -17.910 -3.299 1.00 0.00 C ATOM 0 H ALA A 103 1.481 -18.590 -2.729 1.00 0.00 H new ATOM 0 HA ALA A 103 3.250 -19.078 -4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.905 -17.954 -3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.416 -16.994 -3.708 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.712 -17.919 -2.217 1.00 0.00 H new ATOM 1597 N ALA A 104 3.292 -20.891 -2.265 1.00 0.00 N ATOM 1598 CA ALA A 104 3.809 -22.122 -1.681 1.00 0.00 C ATOM 1599 C ALA A 104 4.164 -23.137 -2.764 1.00 0.00 C ATOM 1600 O ALA A 104 5.310 -23.565 -2.895 1.00 0.00 O ATOM 1601 CB ALA A 104 2.797 -22.714 -0.712 1.00 0.00 C ATOM 0 H ALA A 104 2.548 -20.448 -1.725 1.00 0.00 H new ATOM 0 HA ALA A 104 4.720 -21.880 -1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 104 3.198 -23.633 -0.284 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.596 -21.999 0.086 1.00 0.00 H new ATOM 0 HB3 ALA A 104 1.871 -22.935 -1.243 1.00 0.00 H new ATOM 1607 N PRO A 105 3.158 -23.530 -3.558 1.00 0.00 N ATOM 1608 CA PRO A 105 3.339 -24.499 -4.644 1.00 0.00 C ATOM 1609 C PRO A 105 4.158 -23.930 -5.797 1.00 0.00 C ATOM 1610 O PRO A 105 4.689 -24.675 -6.621 1.00 0.00 O ATOM 1611 CB PRO A 105 1.908 -24.795 -5.098 1.00 0.00 C ATOM 1612 CG PRO A 105 1.131 -23.581 -4.719 1.00 0.00 C ATOM 1613 CD PRO A 105 1.766 -23.061 -3.459 1.00 0.00 C ATOM 0 HA PRO A 105 3.887 -25.382 -4.316 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.863 -24.975 -6.172 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.514 -25.686 -4.609 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.165 -22.833 -5.511 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.081 -23.825 -4.555 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.712 -21.974 -3.401 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.273 -23.453 -2.569 1.00 0.00 H new ATOM 1621 N ASP A 106 4.256 -22.606 -5.851 1.00 0.00 N ATOM 1622 CA ASP A 106 5.011 -21.938 -6.903 1.00 0.00 C ATOM 1623 C ASP A 106 6.510 -22.017 -6.631 1.00 0.00 C ATOM 1624 O ASP A 106 7.278 -22.502 -7.462 1.00 0.00 O ATOM 1625 CB ASP A 106 4.579 -20.476 -7.021 1.00 0.00 C ATOM 1626 CG ASP A 106 4.867 -19.894 -8.392 1.00 0.00 C ATOM 1627 OD1 ASP A 106 6.057 -19.678 -8.705 1.00 0.00 O ATOM 1628 OD2 ASP A 106 3.904 -19.658 -9.150 1.00 0.00 O ATOM 0 H ASP A 106 3.822 -21.975 -5.178 1.00 0.00 H new ATOM 0 HA ASP A 106 4.803 -22.448 -7.844 1.00 0.00 H new ATOM 0 HB2 ASP A 106 3.512 -20.398 -6.814 1.00 0.00 H new ATOM 0 HB3 ASP A 106 5.095 -19.886 -6.264 1.00 0.00 H new ATOM 1633 N VAL A 107 6.920 -21.535 -5.461 1.00 0.00 N ATOM 1634 CA VAL A 107 8.327 -21.551 -5.079 1.00 0.00 C ATOM 1635 C VAL A 107 8.935 -22.936 -5.276 1.00 0.00 C ATOM 1636 O VAL A 107 10.057 -23.068 -5.761 1.00 0.00 O ATOM 1637 CB VAL A 107 8.514 -21.125 -3.610 1.00 0.00 C ATOM 1638 CG1 VAL A 107 8.288 -19.629 -3.456 1.00 0.00 C ATOM 1639 CG2 VAL A 107 7.578 -21.911 -2.705 1.00 0.00 C ATOM 0 H VAL A 107 6.298 -21.129 -4.762 1.00 0.00 H new ATOM 0 HA VAL A 107 8.839 -20.838 -5.725 1.00 0.00 H new ATOM 0 HB VAL A 107 9.539 -21.345 -3.312 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.424 -19.346 -2.412 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.003 -19.087 -4.075 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.274 -19.380 -3.770 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.723 -21.598 -1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.545 -21.724 -2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.794 -22.976 -2.795 1.00 0.00 H new ATOM 1649 N GLY A 108 8.184 -23.965 -4.896 1.00 0.00 N ATOM 1650 CA GLY A 108 8.664 -25.327 -5.039 1.00 0.00 C ATOM 1651 C GLY A 108 9.263 -25.589 -6.408 1.00 0.00 C ATOM 1652 O GLY A 108 10.172 -26.408 -6.548 1.00 0.00 O ATOM 0 H GLY A 108 7.252 -23.880 -4.492 1.00 0.00 H new ATOM 0 HA2 GLY A 108 9.413 -25.527 -4.273 1.00 0.00 H new ATOM 0 HA3 GLY A 108 7.840 -26.020 -4.868 1.00 0.00 H new ATOM 1656 N ARG A 109 8.752 -24.894 -7.419 1.00 0.00 N ATOM 1657 CA ARG A 109 9.239 -25.058 -8.783 1.00 0.00 C ATOM 1658 C ARG A 109 10.740 -24.793 -8.859 1.00 0.00 C ATOM 1659 O ARG A 109 11.508 -25.643 -9.306 1.00 0.00 O ATOM 1660 CB ARG A 109 8.495 -24.116 -9.730 1.00 0.00 C ATOM 1661 CG ARG A 109 6.986 -24.296 -9.706 1.00 0.00 C ATOM 1662 CD ARG A 109 6.578 -25.655 -10.253 1.00 0.00 C ATOM 1663 NE ARG A 109 6.971 -25.822 -11.649 1.00 0.00 N ATOM 1664 CZ ARG A 109 6.429 -26.722 -12.463 1.00 0.00 C ATOM 1665 NH1 ARG A 109 5.474 -27.529 -12.022 1.00 0.00 N ATOM 1666 NH2 ARG A 109 6.840 -26.814 -13.721 1.00 0.00 N ATOM 0 H ARG A 109 8.000 -24.212 -7.319 1.00 0.00 H new ATOM 0 HA ARG A 109 9.053 -26.088 -9.087 1.00 0.00 H new ATOM 0 HB2 ARG A 109 8.734 -23.086 -9.466 1.00 0.00 H new ATOM 0 HB3 ARG A 109 8.856 -24.276 -10.746 1.00 0.00 H new ATOM 0 HG2 ARG A 109 6.622 -24.190 -8.684 1.00 0.00 H new ATOM 0 HG3 ARG A 109 6.515 -23.509 -10.295 1.00 0.00 H new ATOM 0 HD2 ARG A 109 7.035 -26.440 -9.651 1.00 0.00 H new ATOM 0 HD3 ARG A 109 5.498 -25.773 -10.164 1.00 0.00 H new ATOM 0 HE ARG A 109 7.702 -25.215 -12.020 1.00 0.00 H new ATOM 0 HH11 ARG A 109 5.154 -27.460 -11.056 1.00 0.00 H new ATOM 0 HH12 ARG A 109 5.060 -28.219 -12.649 1.00 0.00 H new ATOM 0 HH21 ARG A 109 7.573 -26.194 -14.065 1.00 0.00 H new ATOM 0 HH22 ARG A 109 6.423 -27.505 -14.344 1.00 0.00 H new ATOM 1680 N MET A 110 11.150 -23.607 -8.420 1.00 0.00 N ATOM 1681 CA MET A 110 12.558 -23.230 -8.438 1.00 0.00 C ATOM 1682 C MET A 110 13.355 -24.057 -7.434 1.00 0.00 C ATOM 1683 O MET A 110 14.522 -24.369 -7.661 1.00 0.00 O ATOM 1684 CB MET A 110 12.713 -21.740 -8.127 1.00 0.00 C ATOM 1685 CG MET A 110 11.941 -21.292 -6.897 1.00 0.00 C ATOM 1686 SD MET A 110 12.402 -19.636 -6.353 1.00 0.00 S ATOM 1687 CE MET A 110 11.098 -19.292 -5.174 1.00 0.00 C ATOM 0 H MET A 110 10.527 -22.891 -8.047 1.00 0.00 H new ATOM 0 HA MET A 110 12.949 -23.428 -9.436 1.00 0.00 H new ATOM 0 HB2 MET A 110 13.770 -21.515 -7.984 1.00 0.00 H new ATOM 0 HB3 MET A 110 12.377 -21.161 -8.987 1.00 0.00 H new ATOM 0 HG2 MET A 110 10.873 -21.315 -7.115 1.00 0.00 H new ATOM 0 HG3 MET A 110 12.116 -21.999 -6.086 1.00 0.00 H new ATOM 0 HE1 MET A 110 11.513 -18.760 -4.318 1.00 0.00 H new ATOM 0 HE2 MET A 110 10.333 -18.677 -5.647 1.00 0.00 H new ATOM 0 HE3 MET A 110 10.654 -20.229 -4.839 1.00 0.00 H new ATOM 1697 N GLY A 111 12.715 -24.406 -6.321 1.00 0.00 N ATOM 1698 CA GLY A 111 13.381 -25.193 -5.299 1.00 0.00 C ATOM 1699 C GLY A 111 13.427 -24.484 -3.960 1.00 0.00 C ATOM 1700 O GLY A 111 14.335 -24.712 -3.161 1.00 0.00 O ATOM 0 H GLY A 111 11.749 -24.158 -6.109 1.00 0.00 H new ATOM 0 HA2 GLY A 111 12.865 -26.146 -5.185 1.00 0.00 H new ATOM 0 HA3 GLY A 111 14.397 -25.418 -5.623 1.00 0.00 H new ATOM 1704 N ILE A 112 12.446 -23.622 -3.716 1.00 0.00 N ATOM 1705 CA ILE A 112 12.378 -22.877 -2.464 1.00 0.00 C ATOM 1706 C ILE A 112 11.106 -23.211 -1.693 1.00 0.00 C ATOM 1707 O ILE A 112 10.044 -23.404 -2.285 1.00 0.00 O ATOM 1708 CB ILE A 112 12.433 -21.358 -2.710 1.00 0.00 C ATOM 1709 CG1 ILE A 112 13.603 -21.010 -3.633 1.00 0.00 C ATOM 1710 CG2 ILE A 112 12.555 -20.612 -1.390 1.00 0.00 C ATOM 1711 CD1 ILE A 112 14.956 -21.352 -3.049 1.00 0.00 C ATOM 0 H ILE A 112 11.688 -23.422 -4.368 1.00 0.00 H new ATOM 0 HA ILE A 112 13.245 -23.173 -1.873 1.00 0.00 H new ATOM 0 HB ILE A 112 11.507 -21.050 -3.196 1.00 0.00 H new ATOM 0 HG12 ILE A 112 13.480 -21.539 -4.578 1.00 0.00 H new ATOM 0 HG13 ILE A 112 13.573 -19.944 -3.859 1.00 0.00 H new ATOM 0 HG21 ILE A 112 12.593 -19.539 -1.580 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.693 -20.839 -0.763 1.00 0.00 H new ATOM 0 HG23 ILE A 112 13.467 -20.922 -0.880 1.00 0.00 H new ATOM 0 HD11 ILE A 112 15.738 -21.078 -3.757 1.00 0.00 H new ATOM 0 HD12 ILE A 112 15.100 -20.802 -2.119 1.00 0.00 H new ATOM 0 HD13 ILE A 112 15.006 -22.422 -2.849 1.00 0.00 H new ATOM 1723 N GLU A 113 11.221 -23.275 -0.371 1.00 0.00 N ATOM 1724 CA GLU A 113 10.077 -23.584 0.481 1.00 0.00 C ATOM 1725 C GLU A 113 9.781 -22.429 1.433 1.00 0.00 C ATOM 1726 O GLU A 113 10.669 -21.952 2.142 1.00 0.00 O ATOM 1727 CB GLU A 113 10.339 -24.864 1.277 1.00 0.00 C ATOM 1728 CG GLU A 113 9.225 -25.213 2.249 1.00 0.00 C ATOM 1729 CD GLU A 113 9.213 -26.684 2.619 1.00 0.00 C ATOM 1730 OE1 GLU A 113 8.922 -27.516 1.736 1.00 0.00 O ATOM 1731 OE2 GLU A 113 9.497 -27.001 3.794 1.00 0.00 O ATOM 0 H GLU A 113 12.093 -23.117 0.134 1.00 0.00 H new ATOM 0 HA GLU A 113 9.208 -23.735 -0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 113 10.477 -25.692 0.582 1.00 0.00 H new ATOM 0 HB3 GLU A 113 11.272 -24.754 1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.337 -24.616 3.154 1.00 0.00 H new ATOM 0 HG3 GLU A 113 8.265 -24.946 1.807 1.00 0.00 H new ATOM 1738 N ILE A 114 8.529 -21.986 1.444 1.00 0.00 N ATOM 1739 CA ILE A 114 8.116 -20.888 2.310 1.00 0.00 C ATOM 1740 C ILE A 114 7.933 -21.361 3.748 1.00 0.00 C ATOM 1741 O ILE A 114 7.270 -22.367 4.003 1.00 0.00 O ATOM 1742 CB ILE A 114 6.802 -20.250 1.821 1.00 0.00 C ATOM 1743 CG1 ILE A 114 5.652 -21.252 1.928 1.00 0.00 C ATOM 1744 CG2 ILE A 114 6.953 -19.759 0.389 1.00 0.00 C ATOM 1745 CD1 ILE A 114 4.952 -21.228 3.269 1.00 0.00 C ATOM 0 H ILE A 114 7.783 -22.370 0.864 1.00 0.00 H new ATOM 0 HA ILE A 114 8.909 -20.141 2.274 1.00 0.00 H new ATOM 0 HB ILE A 114 6.573 -19.394 2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 114 4.924 -21.043 1.144 1.00 0.00 H new ATOM 0 HG13 ILE A 114 6.037 -22.255 1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.016 -19.311 0.057 1.00 0.00 H new ATOM 0 HG22 ILE A 114 7.748 -19.015 0.341 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.203 -20.599 -0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.148 -21.964 3.273 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.666 -21.467 4.057 1.00 0.00 H new ATOM 0 HD13 ILE A 114 4.537 -20.236 3.445 1.00 0.00 H new ATOM 1757 N LEU A 115 8.525 -20.629 4.685 1.00 0.00 N ATOM 1758 CA LEU A 115 8.427 -20.972 6.100 1.00 0.00 C ATOM 1759 C LEU A 115 7.175 -20.362 6.722 1.00 0.00 C ATOM 1760 O LEU A 115 6.335 -21.072 7.274 1.00 0.00 O ATOM 1761 CB LEU A 115 9.670 -20.489 6.849 1.00 0.00 C ATOM 1762 CG LEU A 115 11.014 -20.956 6.290 1.00 0.00 C ATOM 1763 CD1 LEU A 115 12.161 -20.363 7.093 1.00 0.00 C ATOM 1764 CD2 LEU A 115 11.093 -22.475 6.288 1.00 0.00 C ATOM 0 H LEU A 115 9.078 -19.794 4.491 1.00 0.00 H new ATOM 0 HA LEU A 115 8.360 -22.057 6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.663 -19.399 6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.596 -20.818 7.885 1.00 0.00 H new ATOM 0 HG LEU A 115 11.098 -20.606 5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 115 13.110 -20.707 6.681 1.00 0.00 H new ATOM 0 HD12 LEU A 115 12.116 -19.275 7.043 1.00 0.00 H new ATOM 0 HD13 LEU A 115 12.081 -20.682 8.132 1.00 0.00 H new ATOM 0 HD21 LEU A 115 12.057 -22.789 5.887 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.986 -22.846 7.307 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.293 -22.880 5.669 1.00 0.00 H new ATOM 1776 N SER A 116 7.056 -19.041 6.628 1.00 0.00 N ATOM 1777 CA SER A 116 5.908 -18.336 7.183 1.00 0.00 C ATOM 1778 C SER A 116 5.655 -17.034 6.429 1.00 0.00 C ATOM 1779 O SER A 116 6.583 -16.407 5.919 1.00 0.00 O ATOM 1780 CB SER A 116 6.131 -18.043 8.668 1.00 0.00 C ATOM 1781 OG SER A 116 5.911 -19.201 9.455 1.00 0.00 O ATOM 0 H SER A 116 7.741 -18.438 6.172 1.00 0.00 H new ATOM 0 HA SER A 116 5.032 -18.976 7.074 1.00 0.00 H new ATOM 0 HB2 SER A 116 7.148 -17.683 8.822 1.00 0.00 H new ATOM 0 HB3 SER A 116 5.459 -17.248 8.990 1.00 0.00 H new ATOM 0 HG SER A 116 5.927 -19.995 8.881 1.00 0.00 H new ATOM 1787 N PHE A 117 4.389 -16.632 6.364 1.00 0.00 N ATOM 1788 CA PHE A 117 4.011 -15.406 5.671 1.00 0.00 C ATOM 1789 C PHE A 117 3.104 -14.546 6.546 1.00 0.00 C ATOM 1790 O PHE A 117 2.020 -14.972 6.946 1.00 0.00 O ATOM 1791 CB PHE A 117 3.306 -15.735 4.354 1.00 0.00 C ATOM 1792 CG PHE A 117 3.450 -14.662 3.312 1.00 0.00 C ATOM 1793 CD1 PHE A 117 3.284 -13.329 3.646 1.00 0.00 C ATOM 1794 CD2 PHE A 117 3.753 -14.989 2.000 1.00 0.00 C ATOM 1795 CE1 PHE A 117 3.415 -12.340 2.689 1.00 0.00 C ATOM 1796 CE2 PHE A 117 3.886 -14.005 1.039 1.00 0.00 C ATOM 1797 CZ PHE A 117 3.718 -12.678 1.384 1.00 0.00 C ATOM 0 H PHE A 117 3.608 -17.138 6.783 1.00 0.00 H new ATOM 0 HA PHE A 117 4.920 -14.844 5.457 1.00 0.00 H new ATOM 0 HB2 PHE A 117 3.707 -16.669 3.960 1.00 0.00 H new ATOM 0 HB3 PHE A 117 2.247 -15.900 4.550 1.00 0.00 H new ATOM 0 HD1 PHE A 117 3.050 -13.059 4.665 1.00 0.00 H new ATOM 0 HD2 PHE A 117 3.887 -16.025 1.725 1.00 0.00 H new ATOM 0 HE1 PHE A 117 3.281 -11.304 2.961 1.00 0.00 H new ATOM 0 HE2 PHE A 117 4.121 -14.273 0.020 1.00 0.00 H new ATOM 0 HZ PHE A 117 3.823 -11.907 0.636 1.00 0.00 H new ATOM 1807 N THR A 118 3.555 -13.330 6.840 1.00 0.00 N ATOM 1808 CA THR A 118 2.787 -12.409 7.669 1.00 0.00 C ATOM 1809 C THR A 118 2.739 -11.019 7.046 1.00 0.00 C ATOM 1810 O THR A 118 3.364 -10.768 6.016 1.00 0.00 O ATOM 1811 CB THR A 118 3.377 -12.304 9.087 1.00 0.00 C ATOM 1812 OG1 THR A 118 4.007 -13.538 9.449 1.00 0.00 O ATOM 1813 CG2 THR A 118 2.294 -11.964 10.100 1.00 0.00 C ATOM 0 H THR A 118 4.449 -12.960 6.516 1.00 0.00 H new ATOM 0 HA THR A 118 1.776 -12.810 7.734 1.00 0.00 H new ATOM 0 HB THR A 118 4.118 -11.505 9.090 1.00 0.00 H new ATOM 0 HG1 THR A 118 4.381 -13.462 10.352 1.00 0.00 H new ATOM 0 HG21 THR A 118 2.735 -11.895 11.095 1.00 0.00 H new ATOM 0 HG22 THR A 118 1.838 -11.009 9.838 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.532 -12.744 10.094 1.00 0.00 H new ATOM 1821 N ILE A 119 1.994 -10.119 7.677 1.00 0.00 N ATOM 1822 CA ILE A 119 1.866 -8.752 7.185 1.00 0.00 C ATOM 1823 C ILE A 119 2.548 -7.764 8.125 1.00 0.00 C ATOM 1824 O ILE A 119 2.384 -7.832 9.342 1.00 0.00 O ATOM 1825 CB ILE A 119 0.389 -8.349 7.020 1.00 0.00 C ATOM 1826 CG1 ILE A 119 -0.246 -9.120 5.861 1.00 0.00 C ATOM 1827 CG2 ILE A 119 0.271 -6.849 6.793 1.00 0.00 C ATOM 1828 CD1 ILE A 119 0.565 -9.068 4.585 1.00 0.00 C ATOM 0 H ILE A 119 1.469 -10.311 8.530 1.00 0.00 H new ATOM 0 HA ILE A 119 2.354 -8.720 6.211 1.00 0.00 H new ATOM 0 HB ILE A 119 -0.145 -8.601 7.936 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -0.377 -10.161 6.156 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -1.240 -8.716 5.667 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -0.779 -6.580 6.678 1.00 0.00 H new ATOM 0 HG22 ILE A 119 0.691 -6.318 7.647 1.00 0.00 H new ATOM 0 HG23 ILE A 119 0.817 -6.574 5.891 1.00 0.00 H new ATOM 0 HD11 ILE A 119 0.055 -9.636 3.806 1.00 0.00 H new ATOM 0 HD12 ILE A 119 0.675 -8.032 4.266 1.00 0.00 H new ATOM 0 HD13 ILE A 119 1.550 -9.499 4.762 1.00 0.00 H new ATOM 1840 N LYS A 120 3.314 -6.843 7.550 1.00 0.00 N ATOM 1841 CA LYS A 120 4.021 -5.836 8.334 1.00 0.00 C ATOM 1842 C LYS A 120 3.143 -4.610 8.562 1.00 0.00 C ATOM 1843 O LYS A 120 2.646 -4.387 9.666 1.00 0.00 O ATOM 1844 CB LYS A 120 5.315 -5.426 7.628 1.00 0.00 C ATOM 1845 CG LYS A 120 6.113 -4.375 8.381 1.00 0.00 C ATOM 1846 CD LYS A 120 7.102 -5.011 9.343 1.00 0.00 C ATOM 1847 CE LYS A 120 8.448 -5.254 8.678 1.00 0.00 C ATOM 1848 NZ LYS A 120 9.216 -3.991 8.503 1.00 0.00 N ATOM 0 H LYS A 120 3.461 -6.773 6.543 1.00 0.00 H new ATOM 0 HA LYS A 120 4.266 -6.271 9.303 1.00 0.00 H new ATOM 0 HB2 LYS A 120 5.937 -6.310 7.486 1.00 0.00 H new ATOM 0 HB3 LYS A 120 5.073 -5.044 6.636 1.00 0.00 H new ATOM 0 HG2 LYS A 120 6.648 -3.745 7.671 1.00 0.00 H new ATOM 0 HG3 LYS A 120 5.433 -3.726 8.933 1.00 0.00 H new ATOM 0 HD2 LYS A 120 7.235 -4.364 10.210 1.00 0.00 H new ATOM 0 HD3 LYS A 120 6.700 -5.956 9.708 1.00 0.00 H new ATOM 0 HE2 LYS A 120 9.030 -5.952 9.280 1.00 0.00 H new ATOM 0 HE3 LYS A 120 8.294 -5.723 7.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 10.205 -4.215 8.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 8.798 -3.434 7.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 9.183 -3.440 9.384 1.00 0.00 H new ATOM 1862 N ASP A 121 2.956 -3.818 7.512 1.00 0.00 N ATOM 1863 CA ASP A 121 2.135 -2.616 7.598 1.00 0.00 C ATOM 1864 C ASP A 121 1.659 -2.183 6.215 1.00 0.00 C ATOM 1865 O ASP A 121 2.428 -2.184 5.253 1.00 0.00 O ATOM 1866 CB ASP A 121 2.922 -1.482 8.257 1.00 0.00 C ATOM 1867 CG ASP A 121 2.017 -0.451 8.904 1.00 0.00 C ATOM 1868 OD1 ASP A 121 0.881 -0.272 8.421 1.00 0.00 O ATOM 1869 OD2 ASP A 121 2.448 0.180 9.893 1.00 0.00 O ATOM 0 H ASP A 121 3.362 -3.987 6.592 1.00 0.00 H new ATOM 0 HA ASP A 121 1.261 -2.845 8.208 1.00 0.00 H new ATOM 0 HB2 ASP A 121 3.591 -1.898 9.010 1.00 0.00 H new ATOM 0 HB3 ASP A 121 3.547 -0.995 7.509 1.00 0.00 H new ATOM 1874 N VAL A 122 0.385 -1.814 6.121 1.00 0.00 N ATOM 1875 CA VAL A 122 -0.194 -1.379 4.855 1.00 0.00 C ATOM 1876 C VAL A 122 -0.606 0.087 4.916 1.00 0.00 C ATOM 1877 O VAL A 122 -1.354 0.498 5.803 1.00 0.00 O ATOM 1878 CB VAL A 122 -1.421 -2.230 4.478 1.00 0.00 C ATOM 1879 CG1 VAL A 122 -1.042 -3.701 4.384 1.00 0.00 C ATOM 1880 CG2 VAL A 122 -2.542 -2.023 5.484 1.00 0.00 C ATOM 0 H VAL A 122 -0.266 -1.808 6.906 1.00 0.00 H new ATOM 0 HA VAL A 122 0.575 -1.507 4.093 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.778 -1.908 3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -1.921 -4.287 4.117 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -0.274 -3.831 3.622 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.659 -4.040 5.346 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -3.401 -2.632 5.202 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.199 -2.316 6.476 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -2.831 -0.972 5.496 1.00 0.00 H new ATOM 1890 N TYR A 123 -0.113 0.873 3.965 1.00 0.00 N ATOM 1891 CA TYR A 123 -0.428 2.296 3.910 1.00 0.00 C ATOM 1892 C TYR A 123 -0.722 2.734 2.479 1.00 0.00 C ATOM 1893 O TYR A 123 -0.448 2.005 1.525 1.00 0.00 O ATOM 1894 CB TYR A 123 0.730 3.118 4.479 1.00 0.00 C ATOM 1895 CG TYR A 123 2.093 2.554 4.149 1.00 0.00 C ATOM 1896 CD1 TYR A 123 2.629 1.505 4.886 1.00 0.00 C ATOM 1897 CD2 TYR A 123 2.846 3.071 3.102 1.00 0.00 C ATOM 1898 CE1 TYR A 123 3.875 0.986 4.589 1.00 0.00 C ATOM 1899 CE2 TYR A 123 4.091 2.557 2.797 1.00 0.00 C ATOM 1900 CZ TYR A 123 4.602 1.515 3.544 1.00 0.00 C ATOM 1901 OH TYR A 123 5.843 1.003 3.243 1.00 0.00 O ATOM 0 H TYR A 123 0.506 0.549 3.222 1.00 0.00 H new ATOM 0 HA TYR A 123 -1.319 2.469 4.514 1.00 0.00 H new ATOM 0 HB2 TYR A 123 0.665 4.136 4.095 1.00 0.00 H new ATOM 0 HB3 TYR A 123 0.624 3.178 5.562 1.00 0.00 H new ATOM 0 HD1 TYR A 123 2.062 1.088 5.705 1.00 0.00 H new ATOM 0 HD2 TYR A 123 2.451 3.888 2.517 1.00 0.00 H new ATOM 0 HE1 TYR A 123 4.277 0.171 5.172 1.00 0.00 H new ATOM 0 HE2 TYR A 123 4.662 2.968 1.978 1.00 0.00 H new ATOM 0 HH TYR A 123 6.220 1.487 2.479 1.00 0.00 H new ATOM 1911 N ASP A 124 -1.281 3.931 2.336 1.00 0.00 N ATOM 1912 CA ASP A 124 -1.612 4.468 1.021 1.00 0.00 C ATOM 1913 C ASP A 124 -0.612 5.544 0.608 1.00 0.00 C ATOM 1914 O ASP A 124 -0.568 6.625 1.194 1.00 0.00 O ATOM 1915 CB ASP A 124 -3.029 5.045 1.024 1.00 0.00 C ATOM 1916 CG ASP A 124 -3.237 6.063 2.128 1.00 0.00 C ATOM 1917 OD1 ASP A 124 -2.521 5.987 3.150 1.00 0.00 O ATOM 1918 OD2 ASP A 124 -4.114 6.937 1.971 1.00 0.00 O ATOM 0 H ASP A 124 -1.514 4.548 3.114 1.00 0.00 H new ATOM 0 HA ASP A 124 -1.562 3.653 0.299 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -3.230 5.513 0.060 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -3.748 4.234 1.141 1.00 0.00 H new