USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 527 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 THR OG1 : rot 72:sc= 0.598 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -167:sc= 0 (180deg=-0.117) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -107:sc= 0 (180deg=-0.106) USER MOD Single : A 61 SER OG : rot -70:sc= 0.556 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -76:sc= 0.398 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -9:sc= -0.464! USER MOD Single : A 93 GLN : amide:sc= -3.51 K(o=-3.5,f=-6!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.146 K(o=-0.15,f=-2.2!) USER MOD Single : A 102 ASN : amide:sc= -2.56 K(o=-2.6,f=-4.4!) USER MOD Single : A 106 SER OG : rot 180:sc= 0.0787 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 74:sc= 0.454 USER MOD Single : A 111 HIS : no HD1:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 173 N GLU A 12 -17.416 45.810 25.738 1.00 0.00 N ATOM 174 CA GLU A 12 -17.406 45.358 24.351 1.00 0.00 C ATOM 175 C GLU A 12 -16.899 46.466 23.432 1.00 0.00 C ATOM 176 O GLU A 12 -16.093 46.221 22.535 1.00 0.00 O ATOM 177 CB GLU A 12 -18.816 44.948 23.927 1.00 0.00 C ATOM 178 CG GLU A 12 -19.223 43.671 24.666 1.00 0.00 C ATOM 179 CD GLU A 12 -20.150 42.836 23.790 1.00 0.00 C ATOM 180 OE1 GLU A 12 -20.496 43.300 22.716 1.00 0.00 O ATOM 181 OE2 GLU A 12 -20.502 41.745 24.206 1.00 0.00 O ATOM 0 HA GLU A 12 -16.738 44.500 24.271 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -19.521 45.749 24.149 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.849 44.783 22.850 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -18.336 43.093 24.926 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -19.723 43.925 25.600 1.00 0.00 H new ATOM 188 N ASP A 13 -17.379 47.684 23.663 1.00 0.00 N ATOM 189 CA ASP A 13 -16.972 48.824 22.849 1.00 0.00 C ATOM 190 C ASP A 13 -15.454 48.983 22.866 1.00 0.00 C ATOM 191 O ASP A 13 -14.844 49.311 21.848 1.00 0.00 O ATOM 192 CB ASP A 13 -17.628 50.102 23.377 1.00 0.00 C ATOM 193 CG ASP A 13 -17.501 51.216 22.344 1.00 0.00 C ATOM 194 OD1 ASP A 13 -17.233 50.904 21.195 1.00 0.00 O ATOM 195 OD2 ASP A 13 -17.673 52.365 22.716 1.00 0.00 O ATOM 0 H ASP A 13 -18.046 47.906 24.402 1.00 0.00 H new ATOM 0 HA ASP A 13 -17.294 48.647 21.823 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -18.679 49.917 23.598 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -17.155 50.405 24.311 1.00 0.00 H new ATOM 200 N VAL A 14 -14.851 48.741 24.024 1.00 0.00 N ATOM 201 CA VAL A 14 -13.404 48.853 24.158 1.00 0.00 C ATOM 202 C VAL A 14 -12.736 47.634 23.537 1.00 0.00 C ATOM 203 O VAL A 14 -11.781 47.754 22.769 1.00 0.00 O ATOM 204 CB VAL A 14 -13.015 48.957 25.635 1.00 0.00 C ATOM 205 CG1 VAL A 14 -11.496 48.838 25.772 1.00 0.00 C ATOM 206 CG2 VAL A 14 -13.470 50.310 26.189 1.00 0.00 C ATOM 0 H VAL A 14 -15.338 48.468 24.878 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.071 49.753 23.641 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.496 48.154 26.194 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.219 48.912 26.824 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.169 47.876 25.377 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.016 49.641 25.213 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -13.193 50.384 27.241 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -12.989 51.113 25.630 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -14.552 50.398 26.092 1.00 0.00 H new ATOM 216 N PHE A 15 -13.263 46.461 23.866 1.00 0.00 N ATOM 217 CA PHE A 15 -12.736 45.215 23.332 1.00 0.00 C ATOM 218 C PHE A 15 -12.906 45.193 21.820 1.00 0.00 C ATOM 219 O PHE A 15 -12.082 44.635 21.096 1.00 0.00 O ATOM 220 CB PHE A 15 -13.475 44.027 23.953 1.00 0.00 C ATOM 221 CG PHE A 15 -12.548 42.836 24.029 1.00 0.00 C ATOM 222 CD1 PHE A 15 -11.595 42.755 25.050 1.00 0.00 C ATOM 223 CD2 PHE A 15 -12.647 41.811 23.080 1.00 0.00 C ATOM 224 CE1 PHE A 15 -10.738 41.650 25.122 1.00 0.00 C ATOM 225 CE2 PHE A 15 -11.790 40.706 23.152 1.00 0.00 C ATOM 226 CZ PHE A 15 -10.835 40.625 24.172 1.00 0.00 C ATOM 0 H PHE A 15 -14.054 46.348 24.500 1.00 0.00 H new ATOM 0 HA PHE A 15 -11.676 45.142 23.577 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -13.831 44.288 24.950 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -14.353 43.780 23.356 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -11.520 43.545 25.783 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -13.384 41.873 22.293 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.002 41.588 25.910 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.866 39.916 22.420 1.00 0.00 H new ATOM 0 HZ PHE A 15 -10.173 39.773 24.227 1.00 0.00 H new ATOM 236 N ARG A 16 -13.988 45.811 21.351 1.00 0.00 N ATOM 237 CA ARG A 16 -14.265 45.864 19.920 1.00 0.00 C ATOM 238 C ARG A 16 -13.164 46.629 19.193 1.00 0.00 C ATOM 239 O ARG A 16 -12.711 46.222 18.124 1.00 0.00 O ATOM 240 CB ARG A 16 -15.614 46.544 19.674 1.00 0.00 C ATOM 241 CG ARG A 16 -15.966 46.460 18.189 1.00 0.00 C ATOM 242 CD ARG A 16 -17.281 47.200 17.934 1.00 0.00 C ATOM 243 NE ARG A 16 -17.058 48.642 17.942 1.00 0.00 N ATOM 244 CZ ARG A 16 -18.073 49.497 17.864 1.00 0.00 C ATOM 245 NH1 ARG A 16 -19.297 49.052 17.792 1.00 0.00 N ATOM 246 NH2 ARG A 16 -17.844 50.781 17.866 1.00 0.00 N ATOM 0 H ARG A 16 -14.681 46.278 21.936 1.00 0.00 H new ATOM 0 HA ARG A 16 -14.299 44.845 19.535 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -16.389 46.063 20.270 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -15.570 47.586 19.990 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -15.168 46.898 17.590 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -16.058 45.417 17.884 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -17.698 46.895 16.974 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -18.011 46.933 18.698 1.00 0.00 H new ATOM 0 HE ARG A 16 -16.105 49.001 18.009 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -19.476 48.048 17.796 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -20.076 49.708 17.732 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -16.887 51.128 17.927 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -18.622 51.438 17.806 1.00 0.00 H new ATOM 260 N ARG A 17 -12.738 47.741 19.785 1.00 0.00 N ATOM 261 CA ARG A 17 -11.687 48.560 19.192 1.00 0.00 C ATOM 262 C ARG A 17 -10.318 47.922 19.410 1.00 0.00 C ATOM 263 O ARG A 17 -9.438 48.009 18.553 1.00 0.00 O ATOM 264 CB ARG A 17 -11.706 49.959 19.813 1.00 0.00 C ATOM 265 CG ARG A 17 -12.983 50.689 19.391 1.00 0.00 C ATOM 266 CD ARG A 17 -12.746 51.406 18.062 1.00 0.00 C ATOM 267 NE ARG A 17 -12.085 52.687 18.289 1.00 0.00 N ATOM 268 CZ ARG A 17 -12.053 53.620 17.343 1.00 0.00 C ATOM 269 NH1 ARG A 17 -12.625 53.401 16.191 1.00 0.00 N ATOM 270 NH2 ARG A 17 -11.448 54.755 17.567 1.00 0.00 N ATOM 0 H ARG A 17 -13.102 48.094 20.670 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.871 48.634 18.120 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.658 49.887 20.900 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.830 50.522 19.492 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -13.804 49.979 19.292 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.274 51.408 20.157 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.134 50.784 17.409 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.696 51.565 17.552 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.640 52.869 19.189 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -13.097 52.514 16.016 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.600 54.117 15.465 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.000 54.925 18.468 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.423 55.471 16.841 1.00 0.00 H new ATOM 284 N ILE A 18 -10.144 47.286 20.565 1.00 0.00 N ATOM 285 CA ILE A 18 -8.875 46.640 20.893 1.00 0.00 C ATOM 286 C ILE A 18 -8.624 45.435 19.989 1.00 0.00 C ATOM 287 O ILE A 18 -7.483 45.122 19.664 1.00 0.00 O ATOM 288 CB ILE A 18 -8.880 46.188 22.354 1.00 0.00 C ATOM 289 CG1 ILE A 18 -8.728 47.408 23.265 1.00 0.00 C ATOM 290 CG2 ILE A 18 -7.716 45.225 22.594 1.00 0.00 C ATOM 291 CD1 ILE A 18 -8.696 46.955 24.725 1.00 0.00 C ATOM 0 H ILE A 18 -10.861 47.204 21.286 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.077 47.365 20.736 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.821 45.683 22.575 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.812 47.946 23.020 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.556 48.099 23.106 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.719 44.903 23.635 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.823 44.356 21.945 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.775 45.729 22.373 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -8.588 47.824 25.373 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.624 46.436 24.965 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -7.853 46.281 24.878 1.00 0.00 H new ATOM 303 N PHE A 19 -9.702 44.766 19.599 1.00 0.00 N ATOM 304 CA PHE A 19 -9.611 43.590 18.741 1.00 0.00 C ATOM 305 C PHE A 19 -9.195 43.992 17.333 1.00 0.00 C ATOM 306 O PHE A 19 -8.221 43.470 16.791 1.00 0.00 O ATOM 307 CB PHE A 19 -10.967 42.885 18.688 1.00 0.00 C ATOM 308 CG PHE A 19 -10.762 41.401 18.500 1.00 0.00 C ATOM 309 CD1 PHE A 19 -10.350 40.609 19.577 1.00 0.00 C ATOM 310 CD2 PHE A 19 -10.991 40.818 17.248 1.00 0.00 C ATOM 311 CE1 PHE A 19 -10.165 39.233 19.402 1.00 0.00 C ATOM 312 CE2 PHE A 19 -10.804 39.442 17.073 1.00 0.00 C ATOM 313 CZ PHE A 19 -10.392 38.649 18.150 1.00 0.00 C ATOM 0 H PHE A 19 -10.654 45.019 19.864 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.861 42.914 19.153 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -11.521 43.072 19.608 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.564 43.286 17.869 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.175 41.059 20.543 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.312 41.430 16.418 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.847 38.621 20.233 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.978 38.992 16.107 1.00 0.00 H new ATOM 0 HZ PHE A 19 -10.249 37.587 18.015 1.00 0.00 H new ATOM 323 N ILE A 20 -9.922 44.942 16.754 1.00 0.00 N ATOM 324 CA ILE A 20 -9.588 45.417 15.422 1.00 0.00 C ATOM 325 C ILE A 20 -8.231 46.090 15.482 1.00 0.00 C ATOM 326 O ILE A 20 -7.412 45.963 14.574 1.00 0.00 O ATOM 327 CB ILE A 20 -10.640 46.410 14.927 1.00 0.00 C ATOM 328 CG1 ILE A 20 -12.026 45.768 15.014 1.00 0.00 C ATOM 329 CG2 ILE A 20 -10.341 46.782 13.474 1.00 0.00 C ATOM 330 CD1 ILE A 20 -12.034 44.461 14.220 1.00 0.00 C ATOM 0 H ILE A 20 -10.733 45.390 17.180 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.563 44.576 14.728 1.00 0.00 H new ATOM 0 HB ILE A 20 -10.616 47.307 15.546 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.284 45.575 16.055 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -12.780 46.450 14.620 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -11.090 47.490 13.118 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -9.352 47.237 13.411 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -10.368 45.885 12.856 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -13.021 44.004 14.282 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -11.795 44.668 13.177 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -11.292 43.779 14.634 1.00 0.00 H new ATOM 342 N THR A 21 -8.001 46.787 16.589 1.00 0.00 N ATOM 343 CA THR A 21 -6.739 47.465 16.811 1.00 0.00 C ATOM 344 C THR A 21 -5.662 46.445 17.153 1.00 0.00 C ATOM 345 O THR A 21 -4.512 46.578 16.734 1.00 0.00 O ATOM 346 CB THR A 21 -6.875 48.473 17.954 1.00 0.00 C ATOM 347 OG1 THR A 21 -7.891 49.414 17.636 1.00 0.00 O ATOM 348 CG2 THR A 21 -5.546 49.201 18.157 1.00 0.00 C ATOM 0 H THR A 21 -8.677 46.895 17.346 1.00 0.00 H new ATOM 0 HA THR A 21 -6.459 47.997 15.902 1.00 0.00 H new ATOM 0 HB THR A 21 -7.141 47.948 18.871 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.768 48.979 17.689 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.645 49.919 18.972 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.769 48.478 18.403 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.276 49.727 17.241 1.00 0.00 H new ATOM 356 N TYR A 22 -6.042 45.419 17.919 1.00 0.00 N ATOM 357 CA TYR A 22 -5.086 44.385 18.303 1.00 0.00 C ATOM 358 C TYR A 22 -4.660 43.586 17.080 1.00 0.00 C ATOM 359 O TYR A 22 -3.471 43.441 16.799 1.00 0.00 O ATOM 360 CB TYR A 22 -5.705 43.435 19.334 1.00 0.00 C ATOM 361 CG TYR A 22 -4.887 42.164 19.417 1.00 0.00 C ATOM 362 CD1 TYR A 22 -3.506 42.192 19.178 1.00 0.00 C ATOM 363 CD2 TYR A 22 -5.516 40.953 19.732 1.00 0.00 C ATOM 364 CE1 TYR A 22 -2.758 41.010 19.254 1.00 0.00 C ATOM 365 CE2 TYR A 22 -4.767 39.773 19.809 1.00 0.00 C ATOM 366 CZ TYR A 22 -3.388 39.801 19.570 1.00 0.00 C ATOM 367 OH TYR A 22 -2.649 38.637 19.644 1.00 0.00 O ATOM 0 H TYR A 22 -6.987 45.285 18.278 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.216 44.873 18.743 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.743 43.918 20.310 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.732 43.200 19.055 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.019 43.125 18.935 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.580 40.930 19.916 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.694 41.032 19.069 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.253 38.840 20.053 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.239 37.889 19.875 1.00 0.00 H new ATOM 377 N MET A 23 -5.646 43.075 16.353 1.00 0.00 N ATOM 378 CA MET A 23 -5.373 42.297 15.155 1.00 0.00 C ATOM 379 C MET A 23 -4.653 43.157 14.124 1.00 0.00 C ATOM 380 O MET A 23 -3.899 42.649 13.294 1.00 0.00 O ATOM 381 CB MET A 23 -6.683 41.769 14.564 1.00 0.00 C ATOM 382 CG MET A 23 -7.270 40.701 15.490 1.00 0.00 C ATOM 383 SD MET A 23 -7.399 39.132 14.598 1.00 0.00 S ATOM 384 CE MET A 23 -8.769 39.600 13.512 1.00 0.00 C ATOM 0 H MET A 23 -6.636 43.185 16.572 1.00 0.00 H new ATOM 0 HA MET A 23 -4.736 41.454 15.422 1.00 0.00 H new ATOM 0 HB2 MET A 23 -7.393 42.587 14.439 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.504 41.348 13.575 1.00 0.00 H new ATOM 0 HG2 MET A 23 -6.638 40.580 16.370 1.00 0.00 H new ATOM 0 HG3 MET A 23 -8.253 41.012 15.844 1.00 0.00 H new ATOM 0 HE1 MET A 23 -9.171 38.709 13.030 1.00 0.00 H new ATOM 0 HE2 MET A 23 -9.552 40.079 14.100 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.410 40.294 12.752 1.00 0.00 H new ATOM 394 N ASP A 24 -4.887 44.465 14.186 1.00 0.00 N ATOM 395 CA ASP A 24 -4.249 45.385 13.250 1.00 0.00 C ATOM 396 C ASP A 24 -2.740 45.411 13.469 1.00 0.00 C ATOM 397 O ASP A 24 -1.969 45.546 12.520 1.00 0.00 O ATOM 398 CB ASP A 24 -4.814 46.795 13.425 1.00 0.00 C ATOM 399 CG ASP A 24 -4.135 47.751 12.448 1.00 0.00 C ATOM 400 OD1 ASP A 24 -3.872 47.336 11.332 1.00 0.00 O ATOM 401 OD2 ASP A 24 -3.889 48.882 12.832 1.00 0.00 O ATOM 0 H ASP A 24 -5.506 44.907 14.866 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.455 45.037 12.238 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.890 46.789 13.253 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.657 47.135 14.449 1.00 0.00 H new ATOM 826 N LEU A 51 8.147 14.510 -1.922 1.00 0.00 N ATOM 827 CA LEU A 51 7.267 14.168 -0.811 1.00 0.00 C ATOM 828 C LEU A 51 6.028 13.437 -1.319 1.00 0.00 C ATOM 829 O LEU A 51 5.605 12.434 -0.745 1.00 0.00 O ATOM 830 CB LEU A 51 6.848 15.440 -0.071 1.00 0.00 C ATOM 831 CG LEU A 51 6.702 15.141 1.421 1.00 0.00 C ATOM 832 CD1 LEU A 51 8.088 15.070 2.071 1.00 0.00 C ATOM 833 CD2 LEU A 51 5.886 16.255 2.082 1.00 0.00 C ATOM 0 HA LEU A 51 7.806 13.512 -0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.590 16.223 -0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.905 15.812 -0.472 1.00 0.00 H new ATOM 0 HG LEU A 51 6.193 14.186 1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.981 14.857 3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.671 14.279 1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.600 16.024 1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.780 16.045 3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.397 17.208 1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.899 16.305 1.622 1.00 0.00 H new ATOM 845 N TYR A 52 5.451 13.950 -2.401 1.00 0.00 N ATOM 846 CA TYR A 52 4.258 13.346 -2.985 1.00 0.00 C ATOM 847 C TYR A 52 4.563 11.941 -3.501 1.00 0.00 C ATOM 848 O TYR A 52 3.742 11.033 -3.378 1.00 0.00 O ATOM 849 CB TYR A 52 3.752 14.212 -4.141 1.00 0.00 C ATOM 850 CG TYR A 52 2.253 14.365 -4.044 1.00 0.00 C ATOM 851 CD1 TYR A 52 1.414 13.402 -4.618 1.00 0.00 C ATOM 852 CD2 TYR A 52 1.703 15.470 -3.383 1.00 0.00 C ATOM 853 CE1 TYR A 52 0.024 13.545 -4.532 1.00 0.00 C ATOM 854 CE2 TYR A 52 0.312 15.612 -3.297 1.00 0.00 C ATOM 855 CZ TYR A 52 -0.527 14.650 -3.872 1.00 0.00 C ATOM 856 OH TYR A 52 -1.896 14.791 -3.788 1.00 0.00 O ATOM 0 H TYR A 52 5.788 14.779 -2.890 1.00 0.00 H new ATOM 0 HA TYR A 52 3.492 13.279 -2.212 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.230 15.191 -4.111 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.020 13.756 -5.094 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.839 12.549 -5.127 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.351 16.212 -2.940 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.623 12.803 -4.975 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.113 16.464 -2.787 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.111 15.611 -3.297 1.00 0.00 H new ATOM 866 N LEU A 53 5.743 11.777 -4.085 1.00 0.00 N ATOM 867 CA LEU A 53 6.147 10.482 -4.624 1.00 0.00 C ATOM 868 C LEU A 53 6.289 9.446 -3.513 1.00 0.00 C ATOM 869 O LEU A 53 5.973 8.272 -3.705 1.00 0.00 O ATOM 870 CB LEU A 53 7.479 10.623 -5.366 1.00 0.00 C ATOM 871 CG LEU A 53 7.920 9.256 -5.895 1.00 0.00 C ATOM 872 CD1 LEU A 53 8.176 9.348 -7.401 1.00 0.00 C ATOM 873 CD2 LEU A 53 9.207 8.825 -5.186 1.00 0.00 C ATOM 0 H LEU A 53 6.434 12.518 -4.198 1.00 0.00 H new ATOM 0 HA LEU A 53 5.374 10.144 -5.314 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.374 11.327 -6.192 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.238 11.027 -4.697 1.00 0.00 H new ATOM 0 HG LEU A 53 7.136 8.524 -5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.490 8.374 -7.777 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.261 9.655 -7.908 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.960 10.081 -7.593 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.521 7.852 -5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.991 9.558 -5.377 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.026 8.758 -4.113 1.00 0.00 H new ATOM 885 N MET A 54 6.776 9.883 -2.357 1.00 0.00 N ATOM 886 CA MET A 54 6.964 8.978 -1.228 1.00 0.00 C ATOM 887 C MET A 54 5.642 8.339 -0.811 1.00 0.00 C ATOM 888 O MET A 54 5.549 7.118 -0.679 1.00 0.00 O ATOM 889 CB MET A 54 7.556 9.741 -0.042 1.00 0.00 C ATOM 890 CG MET A 54 7.441 8.889 1.224 1.00 0.00 C ATOM 891 SD MET A 54 7.886 7.176 0.839 1.00 0.00 S ATOM 892 CE MET A 54 7.438 6.459 2.440 1.00 0.00 C ATOM 0 H MET A 54 7.046 10.850 -2.177 1.00 0.00 H new ATOM 0 HA MET A 54 7.649 8.189 -1.538 1.00 0.00 H new ATOM 0 HB2 MET A 54 8.601 9.982 -0.237 1.00 0.00 H new ATOM 0 HB3 MET A 54 7.031 10.686 0.094 1.00 0.00 H new ATOM 0 HG2 MET A 54 8.098 9.281 2.000 1.00 0.00 H new ATOM 0 HG3 MET A 54 6.424 8.933 1.614 1.00 0.00 H new ATOM 0 HE1 MET A 54 7.635 5.387 2.426 1.00 0.00 H new ATOM 0 HE2 MET A 54 8.030 6.927 3.227 1.00 0.00 H new ATOM 0 HE3 MET A 54 6.379 6.631 2.632 1.00 0.00 H new ATOM 902 N VAL A 55 4.626 9.168 -0.599 1.00 0.00 N ATOM 903 CA VAL A 55 3.319 8.667 -0.189 1.00 0.00 C ATOM 904 C VAL A 55 2.611 7.981 -1.355 1.00 0.00 C ATOM 905 O VAL A 55 1.646 7.244 -1.158 1.00 0.00 O ATOM 906 CB VAL A 55 2.458 9.819 0.336 1.00 0.00 C ATOM 907 CG1 VAL A 55 3.361 10.895 0.938 1.00 0.00 C ATOM 908 CG2 VAL A 55 1.647 10.423 -0.813 1.00 0.00 C ATOM 0 H VAL A 55 4.680 10.181 -0.703 1.00 0.00 H new ATOM 0 HA VAL A 55 3.466 7.935 0.605 1.00 0.00 H new ATOM 0 HB VAL A 55 1.778 9.441 1.099 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.749 11.716 1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.938 10.469 1.759 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.041 11.269 0.173 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.036 11.242 -0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.325 10.799 -1.579 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.002 9.658 -1.244 1.00 0.00 H new ATOM 918 N MET A 56 3.097 8.229 -2.565 1.00 0.00 N ATOM 919 CA MET A 56 2.501 7.627 -3.752 1.00 0.00 C ATOM 920 C MET A 56 2.900 6.160 -3.867 1.00 0.00 C ATOM 921 O MET A 56 2.073 5.265 -3.692 1.00 0.00 O ATOM 922 CB MET A 56 2.950 8.382 -5.004 1.00 0.00 C ATOM 923 CG MET A 56 2.431 7.659 -6.248 1.00 0.00 C ATOM 924 SD MET A 56 2.579 8.748 -7.685 1.00 0.00 S ATOM 925 CE MET A 56 3.799 7.763 -8.588 1.00 0.00 C ATOM 0 H MET A 56 3.895 8.837 -2.750 1.00 0.00 H new ATOM 0 HA MET A 56 1.417 7.690 -3.662 1.00 0.00 H new ATOM 0 HB2 MET A 56 2.573 9.404 -4.980 1.00 0.00 H new ATOM 0 HB3 MET A 56 4.038 8.444 -5.034 1.00 0.00 H new ATOM 0 HG2 MET A 56 2.999 6.743 -6.413 1.00 0.00 H new ATOM 0 HG3 MET A 56 1.390 7.368 -6.105 1.00 0.00 H new ATOM 0 HE1 MET A 56 4.043 8.258 -9.528 1.00 0.00 H new ATOM 0 HE2 MET A 56 4.702 7.662 -7.986 1.00 0.00 H new ATOM 0 HE3 MET A 56 3.388 6.775 -8.794 1.00 0.00 H new ATOM 935 N ILE A 57 4.174 5.918 -4.161 1.00 0.00 N ATOM 936 CA ILE A 57 4.670 4.554 -4.295 1.00 0.00 C ATOM 937 C ILE A 57 4.332 3.739 -3.050 1.00 0.00 C ATOM 938 O ILE A 57 3.974 2.565 -3.144 1.00 0.00 O ATOM 939 CB ILE A 57 6.184 4.566 -4.504 1.00 0.00 C ATOM 940 CG1 ILE A 57 6.624 3.238 -5.124 1.00 0.00 C ATOM 941 CG2 ILE A 57 6.885 4.753 -3.158 1.00 0.00 C ATOM 942 CD1 ILE A 57 8.141 3.241 -5.316 1.00 0.00 C ATOM 0 H ILE A 57 4.876 6.643 -4.310 1.00 0.00 H new ATOM 0 HA ILE A 57 4.190 4.095 -5.159 1.00 0.00 H new ATOM 0 HB ILE A 57 6.450 5.386 -5.170 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.330 2.409 -4.480 1.00 0.00 H new ATOM 0 HG13 ILE A 57 6.126 3.089 -6.082 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.965 4.761 -3.308 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.573 5.698 -2.714 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.618 3.933 -2.492 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.454 2.295 -5.758 1.00 0.00 H new ATOM 0 HD12 ILE A 57 8.422 4.061 -5.977 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.630 3.370 -4.350 1.00 0.00 H new ATOM 954 N GLY A 58 4.445 4.371 -1.887 1.00 0.00 N ATOM 955 CA GLY A 58 4.146 3.696 -0.629 1.00 0.00 C ATOM 956 C GLY A 58 2.690 3.248 -0.588 1.00 0.00 C ATOM 957 O GLY A 58 2.389 2.117 -0.207 1.00 0.00 O ATOM 0 H GLY A 58 4.739 5.343 -1.789 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.800 2.832 -0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.348 4.367 0.206 1.00 0.00 H new ATOM 961 N MET A 59 1.791 4.141 -0.985 1.00 0.00 N ATOM 962 CA MET A 59 0.367 3.826 -0.992 1.00 0.00 C ATOM 963 C MET A 59 0.102 2.574 -1.821 1.00 0.00 C ATOM 964 O MET A 59 -0.691 1.717 -1.435 1.00 0.00 O ATOM 965 CB MET A 59 -0.426 5.002 -1.569 1.00 0.00 C ATOM 966 CG MET A 59 -0.848 5.937 -0.436 1.00 0.00 C ATOM 967 SD MET A 59 -2.393 5.341 0.294 1.00 0.00 S ATOM 968 CE MET A 59 -3.515 6.055 -0.935 1.00 0.00 C ATOM 0 H MET A 59 2.020 5.082 -1.304 1.00 0.00 H new ATOM 0 HA MET A 59 0.048 3.643 0.034 1.00 0.00 H new ATOM 0 HB2 MET A 59 0.182 5.543 -2.294 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.305 4.636 -2.100 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.067 5.981 0.324 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.980 6.950 -0.816 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.039 6.905 -0.499 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.942 6.387 -1.801 1.00 0.00 H new ATOM 0 HE3 MET A 59 -4.240 5.303 -1.246 1.00 0.00 H new ATOM 978 N PHE A 60 0.775 2.477 -2.963 1.00 0.00 N ATOM 979 CA PHE A 60 0.610 1.324 -3.842 1.00 0.00 C ATOM 980 C PHE A 60 0.936 0.035 -3.098 1.00 0.00 C ATOM 981 O PHE A 60 0.276 -0.987 -3.288 1.00 0.00 O ATOM 982 CB PHE A 60 1.526 1.461 -5.058 1.00 0.00 C ATOM 983 CG PHE A 60 1.013 0.585 -6.177 1.00 0.00 C ATOM 984 CD1 PHE A 60 -0.133 0.959 -6.889 1.00 0.00 C ATOM 985 CD2 PHE A 60 1.684 -0.601 -6.502 1.00 0.00 C ATOM 986 CE1 PHE A 60 -0.608 0.146 -7.926 1.00 0.00 C ATOM 987 CE2 PHE A 60 1.209 -1.412 -7.538 1.00 0.00 C ATOM 988 CZ PHE A 60 0.062 -1.039 -8.250 1.00 0.00 C ATOM 0 H PHE A 60 1.435 3.177 -3.300 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.428 1.286 -4.173 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.563 2.501 -5.384 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.544 1.173 -4.794 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.650 1.873 -6.639 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.568 -0.889 -5.953 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.492 0.434 -8.476 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.727 -2.326 -7.789 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.305 -1.666 -9.049 1.00 0.00 H new ATOM 998 N SER A 61 1.959 0.091 -2.251 1.00 0.00 N ATOM 999 CA SER A 61 2.365 -1.078 -1.480 1.00 0.00 C ATOM 1000 C SER A 61 1.372 -1.345 -0.354 1.00 0.00 C ATOM 1001 O SER A 61 1.039 -2.494 -0.065 1.00 0.00 O ATOM 1002 CB SER A 61 3.758 -0.859 -0.894 1.00 0.00 C ATOM 1003 OG SER A 61 3.637 -0.397 0.445 1.00 0.00 O ATOM 0 H SER A 61 2.518 0.927 -2.082 1.00 0.00 H new ATOM 0 HA SER A 61 2.385 -1.941 -2.145 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.326 -1.789 -0.920 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.307 -0.133 -1.493 1.00 0.00 H new ATOM 0 HG SER A 61 3.291 0.520 0.445 1.00 0.00 H new ATOM 1009 N PHE A 62 0.905 -0.274 0.279 1.00 0.00 N ATOM 1010 CA PHE A 62 -0.049 -0.399 1.374 1.00 0.00 C ATOM 1011 C PHE A 62 -1.331 -1.069 0.890 1.00 0.00 C ATOM 1012 O PHE A 62 -1.952 -1.844 1.618 1.00 0.00 O ATOM 1013 CB PHE A 62 -0.377 0.984 1.940 1.00 0.00 C ATOM 1014 CG PHE A 62 -1.552 0.879 2.882 1.00 0.00 C ATOM 1015 CD1 PHE A 62 -1.418 0.193 4.096 1.00 0.00 C ATOM 1016 CD2 PHE A 62 -2.775 1.468 2.542 1.00 0.00 C ATOM 1017 CE1 PHE A 62 -2.508 0.098 4.969 1.00 0.00 C ATOM 1018 CE2 PHE A 62 -3.865 1.372 3.415 1.00 0.00 C ATOM 1019 CZ PHE A 62 -3.732 0.687 4.628 1.00 0.00 C ATOM 0 H PHE A 62 1.170 0.685 0.054 1.00 0.00 H new ATOM 0 HA PHE A 62 0.398 -1.014 2.155 1.00 0.00 H new ATOM 0 HB2 PHE A 62 0.488 1.388 2.465 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -0.608 1.675 1.129 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.474 -0.262 4.358 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.878 1.997 1.606 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.405 -0.430 5.906 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.809 1.827 3.152 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.573 0.613 5.301 1.00 0.00 H new ATOM 1029 N ILE A 63 -1.718 -0.764 -0.343 1.00 0.00 N ATOM 1030 CA ILE A 63 -2.928 -1.338 -0.918 1.00 0.00 C ATOM 1031 C ILE A 63 -2.712 -2.809 -1.264 1.00 0.00 C ATOM 1032 O ILE A 63 -3.605 -3.636 -1.084 1.00 0.00 O ATOM 1033 CB ILE A 63 -3.321 -0.567 -2.179 1.00 0.00 C ATOM 1034 CG1 ILE A 63 -4.027 0.732 -1.781 1.00 0.00 C ATOM 1035 CG2 ILE A 63 -4.265 -1.421 -3.027 1.00 0.00 C ATOM 1036 CD1 ILE A 63 -3.957 1.726 -2.943 1.00 0.00 C ATOM 0 H ILE A 63 -1.215 -0.127 -0.960 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.729 -1.264 -0.182 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.426 -0.334 -2.756 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.067 0.530 -1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.556 1.158 -0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.545 -0.871 -3.926 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.763 -2.347 -3.309 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.160 -1.655 -2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.459 2.651 -2.661 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.914 1.937 -3.179 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.448 1.299 -3.817 1.00 0.00 H new ATOM 1048 N ILE A 64 -1.520 -3.126 -1.763 1.00 0.00 N ATOM 1049 CA ILE A 64 -1.196 -4.499 -2.134 1.00 0.00 C ATOM 1050 C ILE A 64 -1.147 -5.394 -0.899 1.00 0.00 C ATOM 1051 O ILE A 64 -1.744 -6.470 -0.877 1.00 0.00 O ATOM 1052 CB ILE A 64 0.154 -4.539 -2.851 1.00 0.00 C ATOM 1053 CG1 ILE A 64 0.026 -3.852 -4.214 1.00 0.00 C ATOM 1054 CG2 ILE A 64 0.587 -5.992 -3.050 1.00 0.00 C ATOM 1055 CD1 ILE A 64 -0.475 -4.860 -5.251 1.00 0.00 C ATOM 0 H ILE A 64 -0.768 -2.455 -1.919 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.974 -4.868 -2.802 1.00 0.00 H new ATOM 0 HB ILE A 64 0.900 -4.020 -2.249 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.665 -3.011 -4.146 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.991 -3.448 -4.521 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.549 -6.018 -3.561 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.678 -6.481 -2.080 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.157 -6.514 -3.651 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.566 -4.370 -6.220 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.232 -5.686 -5.327 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.449 -5.243 -4.945 1.00 0.00 H new ATOM 1067 N VAL A 65 -0.431 -4.945 0.124 1.00 0.00 N ATOM 1068 CA VAL A 65 -0.310 -5.716 1.358 1.00 0.00 C ATOM 1069 C VAL A 65 -1.626 -5.712 2.131 1.00 0.00 C ATOM 1070 O VAL A 65 -1.964 -6.685 2.803 1.00 0.00 O ATOM 1071 CB VAL A 65 0.800 -5.128 2.232 1.00 0.00 C ATOM 1072 CG1 VAL A 65 0.407 -3.718 2.677 1.00 0.00 C ATOM 1073 CG2 VAL A 65 1.000 -6.012 3.466 1.00 0.00 C ATOM 0 H VAL A 65 0.072 -4.058 0.126 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.063 -6.745 1.097 1.00 0.00 H new ATOM 0 HB VAL A 65 1.727 -5.084 1.660 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.198 -3.299 3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.263 -3.087 1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.520 -3.762 3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.791 -5.594 4.089 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.073 -6.055 4.037 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.280 -7.018 3.152 1.00 0.00 H new ATOM 1083 N ALA A 66 -2.359 -4.606 2.036 1.00 0.00 N ATOM 1084 CA ALA A 66 -3.633 -4.478 2.736 1.00 0.00 C ATOM 1085 C ALA A 66 -4.590 -5.605 2.353 1.00 0.00 C ATOM 1086 O ALA A 66 -5.225 -6.212 3.215 1.00 0.00 O ATOM 1087 CB ALA A 66 -4.275 -3.130 2.404 1.00 0.00 C ATOM 0 H ALA A 66 -2.094 -3.790 1.484 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.437 -4.541 3.806 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.226 -3.041 2.930 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.611 -2.324 2.716 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.447 -3.064 1.330 1.00 0.00 H new ATOM 1093 N ILE A 67 -4.698 -5.874 1.059 1.00 0.00 N ATOM 1094 CA ILE A 67 -5.589 -6.925 0.580 1.00 0.00 C ATOM 1095 C ILE A 67 -4.983 -8.304 0.830 1.00 0.00 C ATOM 1096 O ILE A 67 -5.698 -9.267 1.105 1.00 0.00 O ATOM 1097 CB ILE A 67 -5.852 -6.745 -0.915 1.00 0.00 C ATOM 1098 CG1 ILE A 67 -4.539 -6.898 -1.684 1.00 0.00 C ATOM 1099 CG2 ILE A 67 -6.429 -5.352 -1.166 1.00 0.00 C ATOM 1100 CD1 ILE A 67 -4.809 -6.797 -3.187 1.00 0.00 C ATOM 0 H ILE A 67 -4.185 -5.384 0.326 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.529 -6.852 1.127 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.562 -7.499 -1.253 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.835 -6.124 -1.378 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.079 -7.858 -1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.617 -5.223 -2.232 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.364 -5.241 -0.617 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.718 -4.598 -0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.872 -6.906 -3.733 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.498 -7.587 -3.487 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.250 -5.826 -3.413 1.00 0.00 H new ATOM 1112 N LEU A 68 -3.662 -8.391 0.719 1.00 0.00 N ATOM 1113 CA LEU A 68 -2.966 -9.657 0.921 1.00 0.00 C ATOM 1114 C LEU A 68 -3.230 -10.224 2.316 1.00 0.00 C ATOM 1115 O LEU A 68 -3.521 -11.411 2.464 1.00 0.00 O ATOM 1116 CB LEU A 68 -1.463 -9.454 0.729 1.00 0.00 C ATOM 1117 CG LEU A 68 -0.794 -10.806 0.477 1.00 0.00 C ATOM 1118 CD1 LEU A 68 -0.838 -11.129 -1.017 1.00 0.00 C ATOM 1119 CD2 LEU A 68 0.663 -10.746 0.943 1.00 0.00 C ATOM 0 H LEU A 68 -3.054 -7.604 0.491 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.343 -10.370 0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.280 -8.784 -0.111 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.033 -8.983 1.613 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.323 -11.582 1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.361 -12.093 -1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.875 -11.170 -1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.309 -10.354 -1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.142 -11.709 0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.191 -9.970 0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.695 -10.517 2.008 1.00 0.00 H new ATOM 1131 N VAL A 69 -3.117 -9.378 3.335 1.00 0.00 N ATOM 1132 CA VAL A 69 -3.338 -9.824 4.709 1.00 0.00 C ATOM 1133 C VAL A 69 -4.797 -10.220 4.928 1.00 0.00 C ATOM 1134 O VAL A 69 -5.085 -11.193 5.626 1.00 0.00 O ATOM 1135 CB VAL A 69 -2.943 -8.723 5.698 1.00 0.00 C ATOM 1136 CG1 VAL A 69 -1.427 -8.523 5.659 1.00 0.00 C ATOM 1137 CG2 VAL A 69 -3.636 -7.414 5.319 1.00 0.00 C ATOM 0 H VAL A 69 -2.877 -8.391 3.240 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.713 -10.700 4.882 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.249 -9.016 6.702 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.145 -7.740 6.363 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.930 -9.453 5.934 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.124 -8.233 4.653 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.352 -6.634 6.025 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.334 -7.120 4.314 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.717 -7.553 5.347 1.00 0.00 H new ATOM 1147 N SER A 70 -5.713 -9.465 4.332 1.00 0.00 N ATOM 1148 CA SER A 70 -7.135 -9.755 4.473 1.00 0.00 C ATOM 1149 C SER A 70 -7.481 -11.033 3.723 1.00 0.00 C ATOM 1150 O SER A 70 -8.138 -11.925 4.260 1.00 0.00 O ATOM 1151 CB SER A 70 -7.966 -8.594 3.924 1.00 0.00 C ATOM 1152 OG SER A 70 -8.980 -9.107 3.069 1.00 0.00 O ATOM 0 H SER A 70 -5.499 -8.654 3.751 1.00 0.00 H new ATOM 0 HA SER A 70 -7.363 -9.887 5.531 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.415 -8.033 4.744 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.327 -7.902 3.376 1.00 0.00 H new ATOM 0 HG SER A 70 -9.516 -8.366 2.716 1.00 0.00 H new ATOM 1158 N THR A 71 -7.014 -11.119 2.485 1.00 0.00 N ATOM 1159 CA THR A 71 -7.255 -12.297 1.669 1.00 0.00 C ATOM 1160 C THR A 71 -6.629 -13.517 2.332 1.00 0.00 C ATOM 1161 O THR A 71 -7.118 -14.638 2.189 1.00 0.00 O ATOM 1162 CB THR A 71 -6.658 -12.102 0.273 1.00 0.00 C ATOM 1163 OG1 THR A 71 -5.267 -11.840 0.388 1.00 0.00 O ATOM 1164 CG2 THR A 71 -7.347 -10.923 -0.416 1.00 0.00 C ATOM 0 H THR A 71 -6.468 -10.389 2.027 1.00 0.00 H new ATOM 0 HA THR A 71 -8.330 -12.449 1.575 1.00 0.00 H new ATOM 0 HB THR A 71 -6.810 -13.005 -0.319 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.132 -10.916 0.686 1.00 0.00 H new ATOM 0 HG21 THR A 71 -6.922 -10.784 -1.410 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.415 -11.125 -0.503 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.196 -10.018 0.173 1.00 0.00 H new ATOM 1172 N VAL A 72 -5.541 -13.283 3.058 1.00 0.00 N ATOM 1173 CA VAL A 72 -4.846 -14.365 3.747 1.00 0.00 C ATOM 1174 C VAL A 72 -5.650 -14.818 4.957 1.00 0.00 C ATOM 1175 O VAL A 72 -5.893 -16.010 5.146 1.00 0.00 O ATOM 1176 CB VAL A 72 -3.461 -13.898 4.197 1.00 0.00 C ATOM 1177 CG1 VAL A 72 -2.869 -14.919 5.169 1.00 0.00 C ATOM 1178 CG2 VAL A 72 -2.547 -13.766 2.977 1.00 0.00 C ATOM 0 H VAL A 72 -5.124 -12.361 3.184 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.735 -15.202 3.058 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.547 -12.932 4.694 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.882 -14.586 5.490 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.520 -15.014 6.038 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.783 -15.886 4.673 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.559 -13.433 3.297 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.461 -14.733 2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.968 -13.038 2.284 1.00 0.00 H new ATOM 1188 N LYS A 73 -6.070 -13.854 5.768 1.00 0.00 N ATOM 1189 CA LYS A 73 -6.857 -14.155 6.953 1.00 0.00 C ATOM 1190 C LYS A 73 -8.198 -14.757 6.551 1.00 0.00 C ATOM 1191 O LYS A 73 -8.783 -15.550 7.289 1.00 0.00 O ATOM 1192 CB LYS A 73 -7.091 -12.879 7.763 1.00 0.00 C ATOM 1193 CG LYS A 73 -6.928 -13.182 9.255 1.00 0.00 C ATOM 1194 CD LYS A 73 -5.440 -13.182 9.614 1.00 0.00 C ATOM 1195 CE LYS A 73 -5.184 -14.203 10.725 1.00 0.00 C ATOM 1196 NZ LYS A 73 -3.749 -14.149 11.128 1.00 0.00 N ATOM 0 H LYS A 73 -5.879 -12.862 5.626 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.310 -14.874 7.564 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.383 -12.108 7.459 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.090 -12.490 7.567 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.457 -12.436 9.849 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.370 -14.150 9.491 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.843 -13.427 8.736 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.134 -12.188 9.941 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.822 -13.991 11.583 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.438 -15.205 10.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.574 -14.843 11.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.149 -14.371 10.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.521 -13.195 11.475 1.00 0.00 H new ATOM 1210 N SER A 74 -8.681 -14.369 5.375 1.00 0.00 N ATOM 1211 CA SER A 74 -9.959 -14.872 4.882 1.00 0.00 C ATOM 1212 C SER A 74 -9.882 -16.370 4.596 1.00 0.00 C ATOM 1213 O SER A 74 -10.850 -17.101 4.807 1.00 0.00 O ATOM 1214 CB SER A 74 -10.353 -14.132 3.605 1.00 0.00 C ATOM 1215 OG SER A 74 -9.374 -14.371 2.604 1.00 0.00 O ATOM 0 H SER A 74 -8.212 -13.714 4.750 1.00 0.00 H new ATOM 0 HA SER A 74 -10.711 -14.701 5.653 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.331 -14.470 3.262 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.436 -13.063 3.801 1.00 0.00 H new ATOM 0 HG SER A 74 -8.607 -14.835 3.000 1.00 0.00 H new ATOM 1471 N VAL A 89 -27.099 -12.118 -5.447 1.00 0.00 N ATOM 1472 CA VAL A 89 -27.580 -11.518 -6.686 1.00 0.00 C ATOM 1473 C VAL A 89 -28.560 -10.388 -6.390 1.00 0.00 C ATOM 1474 O VAL A 89 -28.669 -9.429 -7.154 1.00 0.00 O ATOM 1475 CB VAL A 89 -28.270 -12.578 -7.546 1.00 0.00 C ATOM 1476 CG1 VAL A 89 -28.219 -12.156 -9.016 1.00 0.00 C ATOM 1477 CG2 VAL A 89 -27.552 -13.919 -7.376 1.00 0.00 C ATOM 0 HA VAL A 89 -26.725 -11.111 -7.225 1.00 0.00 H new ATOM 0 HB VAL A 89 -29.309 -12.679 -7.233 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -28.711 -12.912 -9.629 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -28.730 -11.201 -9.138 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -27.180 -12.055 -9.330 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -28.043 -14.675 -7.989 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -26.513 -13.818 -7.689 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -27.588 -14.221 -6.329 1.00 0.00 H new ATOM 1487 N GLU A 90 -29.275 -10.509 -5.276 1.00 0.00 N ATOM 1488 CA GLU A 90 -30.247 -9.494 -4.887 1.00 0.00 C ATOM 1489 C GLU A 90 -29.542 -8.271 -4.308 1.00 0.00 C ATOM 1490 O GLU A 90 -29.980 -7.137 -4.510 1.00 0.00 O ATOM 1491 CB GLU A 90 -31.215 -10.070 -3.849 1.00 0.00 C ATOM 1492 CG GLU A 90 -32.651 -9.975 -4.373 1.00 0.00 C ATOM 1493 CD GLU A 90 -32.848 -10.947 -5.531 1.00 0.00 C ATOM 1494 OE1 GLU A 90 -32.324 -12.045 -5.453 1.00 0.00 O ATOM 1495 OE2 GLU A 90 -33.523 -10.579 -6.480 1.00 0.00 O ATOM 0 H GLU A 90 -29.200 -11.295 -4.630 1.00 0.00 H new ATOM 0 HA GLU A 90 -30.804 -9.191 -5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -30.962 -11.109 -3.639 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -31.123 -9.524 -2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -33.355 -10.203 -3.572 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -32.860 -8.957 -4.702 1.00 0.00 H new ATOM 1502 N ASP A 91 -28.452 -8.507 -3.587 1.00 0.00 N ATOM 1503 CA ASP A 91 -27.697 -7.417 -2.981 1.00 0.00 C ATOM 1504 C ASP A 91 -27.056 -6.541 -4.055 1.00 0.00 C ATOM 1505 O ASP A 91 -26.966 -5.323 -3.902 1.00 0.00 O ATOM 1506 CB ASP A 91 -26.610 -7.982 -2.064 1.00 0.00 C ATOM 1507 CG ASP A 91 -27.249 -8.744 -0.907 1.00 0.00 C ATOM 1508 OD1 ASP A 91 -28.419 -9.073 -1.015 1.00 0.00 O ATOM 1509 OD2 ASP A 91 -26.560 -8.984 0.070 1.00 0.00 O ATOM 0 H ASP A 91 -28.073 -9.437 -3.409 1.00 0.00 H new ATOM 0 HA ASP A 91 -28.385 -6.806 -2.397 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -25.954 -8.645 -2.629 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -25.990 -7.172 -1.679 1.00 0.00 H new ATOM 1514 N TRP A 92 -26.610 -7.170 -5.137 1.00 0.00 N ATOM 1515 CA TRP A 92 -25.976 -6.436 -6.228 1.00 0.00 C ATOM 1516 C TRP A 92 -27.003 -5.599 -6.985 1.00 0.00 C ATOM 1517 O TRP A 92 -26.729 -4.462 -7.369 1.00 0.00 O ATOM 1518 CB TRP A 92 -25.306 -7.416 -7.194 1.00 0.00 C ATOM 1519 CG TRP A 92 -23.969 -6.884 -7.604 1.00 0.00 C ATOM 1520 CD1 TRP A 92 -22.918 -6.699 -6.772 1.00 0.00 C ATOM 1521 CD2 TRP A 92 -23.523 -6.466 -8.927 1.00 0.00 C ATOM 1522 NE1 TRP A 92 -21.855 -6.196 -7.501 1.00 0.00 N ATOM 1523 CE2 TRP A 92 -22.179 -6.035 -8.833 1.00 0.00 C ATOM 1524 CE3 TRP A 92 -24.148 -6.420 -10.186 1.00 0.00 C ATOM 1525 CZ2 TRP A 92 -21.478 -5.574 -9.950 1.00 0.00 C ATOM 1526 CZ3 TRP A 92 -23.446 -5.957 -11.312 1.00 0.00 C ATOM 1527 CH2 TRP A 92 -22.115 -5.534 -11.193 1.00 0.00 C ATOM 0 H TRP A 92 -26.674 -8.178 -5.282 1.00 0.00 H new ATOM 0 HA TRP A 92 -25.226 -5.770 -5.802 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -25.190 -8.390 -6.718 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -25.935 -7.563 -8.072 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -22.910 -6.909 -5.713 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -20.943 -5.972 -7.103 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -25.174 -6.742 -10.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -20.452 -5.251 -9.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -23.935 -5.927 -12.275 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -21.582 -5.177 -12.062 1.00 0.00 H new ATOM 1538 N GLN A 93 -28.185 -6.170 -7.197 1.00 0.00 N ATOM 1539 CA GLN A 93 -29.245 -5.468 -7.913 1.00 0.00 C ATOM 1540 C GLN A 93 -29.640 -4.187 -7.182 1.00 0.00 C ATOM 1541 O GLN A 93 -30.166 -3.255 -7.788 1.00 0.00 O ATOM 1542 CB GLN A 93 -30.469 -6.376 -8.058 1.00 0.00 C ATOM 1543 CG GLN A 93 -31.633 -5.578 -8.647 1.00 0.00 C ATOM 1544 CD GLN A 93 -31.241 -5.008 -10.006 1.00 0.00 C ATOM 1545 OE1 GLN A 93 -30.417 -4.097 -10.084 1.00 0.00 O ATOM 1546 NE2 GLN A 93 -31.786 -5.493 -11.089 1.00 0.00 N ATOM 0 H GLN A 93 -28.432 -7.110 -6.886 1.00 0.00 H new ATOM 0 HA GLN A 93 -28.870 -5.202 -8.901 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -30.232 -7.222 -8.703 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -30.749 -6.784 -7.087 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -32.508 -6.219 -8.751 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -31.909 -4.769 -7.970 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -32.469 -6.248 -11.022 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -31.529 -5.117 -12.002 1.00 0.00 H new ATOM 1555 N GLU A 94 -29.383 -4.147 -5.878 1.00 0.00 N ATOM 1556 CA GLU A 94 -29.718 -2.970 -5.085 1.00 0.00 C ATOM 1557 C GLU A 94 -28.745 -1.838 -5.389 1.00 0.00 C ATOM 1558 O GLU A 94 -29.153 -0.697 -5.607 1.00 0.00 O ATOM 1559 CB GLU A 94 -29.671 -3.309 -3.592 1.00 0.00 C ATOM 1560 CG GLU A 94 -31.007 -2.942 -2.941 1.00 0.00 C ATOM 1561 CD GLU A 94 -30.934 -3.167 -1.434 1.00 0.00 C ATOM 1562 OE1 GLU A 94 -30.141 -2.500 -0.793 1.00 0.00 O ATOM 1563 OE2 GLU A 94 -31.675 -4.004 -0.945 1.00 0.00 O ATOM 0 H GLU A 94 -28.949 -4.907 -5.353 1.00 0.00 H new ATOM 0 HA GLU A 94 -30.727 -2.650 -5.345 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -29.468 -4.371 -3.456 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -28.858 -2.765 -3.110 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -31.248 -1.900 -3.150 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -31.807 -3.546 -3.369 1.00 0.00 H new ATOM 1570 N LYS A 95 -27.459 -2.164 -5.414 1.00 0.00 N ATOM 1571 CA LYS A 95 -26.435 -1.170 -5.709 1.00 0.00 C ATOM 1572 C LYS A 95 -26.438 -0.852 -7.199 1.00 0.00 C ATOM 1573 O LYS A 95 -26.006 0.221 -7.620 1.00 0.00 O ATOM 1574 CB LYS A 95 -25.058 -1.696 -5.298 1.00 0.00 C ATOM 1575 CG LYS A 95 -24.023 -0.578 -5.434 1.00 0.00 C ATOM 1576 CD LYS A 95 -22.664 -1.075 -4.934 1.00 0.00 C ATOM 1577 CE LYS A 95 -22.390 -0.502 -3.542 1.00 0.00 C ATOM 1578 NZ LYS A 95 -21.494 -1.428 -2.792 1.00 0.00 N ATOM 0 H LYS A 95 -27.102 -3.102 -5.235 1.00 0.00 H new ATOM 0 HA LYS A 95 -26.652 -0.262 -5.146 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -25.087 -2.056 -4.270 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -24.779 -2.543 -5.925 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -23.946 -0.264 -6.475 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -24.337 0.294 -4.860 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -22.654 -2.164 -4.899 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -21.877 -0.771 -5.625 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -21.927 0.481 -3.626 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -23.327 -0.368 -3.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -21.307 -1.039 -1.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -21.953 -2.357 -2.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -20.596 -1.535 -3.306 1.00 0.00 H new ATOM 1592 N TYR A 96 -26.931 -1.801 -7.991 1.00 0.00 N ATOM 1593 CA TYR A 96 -26.992 -1.629 -9.438 1.00 0.00 C ATOM 1594 C TYR A 96 -27.904 -0.459 -9.808 1.00 0.00 C ATOM 1595 O TYR A 96 -27.798 0.098 -10.901 1.00 0.00 O ATOM 1596 CB TYR A 96 -27.517 -2.911 -10.088 1.00 0.00 C ATOM 1597 CG TYR A 96 -26.903 -3.074 -11.457 1.00 0.00 C ATOM 1598 CD1 TYR A 96 -25.544 -3.383 -11.583 1.00 0.00 C ATOM 1599 CD2 TYR A 96 -27.695 -2.917 -12.602 1.00 0.00 C ATOM 1600 CE1 TYR A 96 -24.975 -3.536 -12.853 1.00 0.00 C ATOM 1601 CE2 TYR A 96 -27.126 -3.070 -13.872 1.00 0.00 C ATOM 1602 CZ TYR A 96 -25.766 -3.380 -13.997 1.00 0.00 C ATOM 1603 OH TYR A 96 -25.204 -3.531 -15.250 1.00 0.00 O ATOM 0 H TYR A 96 -27.293 -2.694 -7.656 1.00 0.00 H new ATOM 0 HA TYR A 96 -25.987 -1.416 -9.802 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -27.275 -3.772 -9.465 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -28.603 -2.871 -10.168 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -24.934 -3.504 -10.700 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -28.744 -2.678 -12.505 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -23.926 -3.774 -12.950 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -27.736 -2.949 -14.755 1.00 0.00 H new ATOM 0 HH TYR A 96 -25.890 -3.391 -15.935 1.00 0.00 H new ATOM 1613 N LYS A 97 -28.800 -0.099 -8.896 1.00 0.00 N ATOM 1614 CA LYS A 97 -29.728 1.001 -9.142 1.00 0.00 C ATOM 1615 C LYS A 97 -29.017 2.347 -9.039 1.00 0.00 C ATOM 1616 O LYS A 97 -29.293 3.265 -9.812 1.00 0.00 O ATOM 1617 CB LYS A 97 -30.877 0.950 -8.132 1.00 0.00 C ATOM 1618 CG LYS A 97 -30.481 1.712 -6.864 1.00 0.00 C ATOM 1619 CD LYS A 97 -31.524 1.465 -5.773 1.00 0.00 C ATOM 1620 CE LYS A 97 -31.017 2.033 -4.445 1.00 0.00 C ATOM 1621 NZ LYS A 97 -32.122 2.769 -3.767 1.00 0.00 N ATOM 0 H LYS A 97 -28.904 -0.548 -7.986 1.00 0.00 H new ATOM 0 HA LYS A 97 -30.124 0.893 -10.152 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -31.776 1.388 -8.566 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -31.114 -0.085 -7.887 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -29.498 1.386 -6.523 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -30.407 2.779 -7.076 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -32.469 1.935 -6.045 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -31.717 0.397 -5.674 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -30.657 1.227 -3.806 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -30.174 2.702 -4.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -31.779 3.156 -2.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -32.446 3.547 -4.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -32.913 2.118 -3.587 1.00 0.00 H new ATOM 1635 N SER A 98 -28.106 2.460 -8.079 1.00 0.00 N ATOM 1636 CA SER A 98 -27.366 3.702 -7.882 1.00 0.00 C ATOM 1637 C SER A 98 -26.697 4.147 -9.179 1.00 0.00 C ATOM 1638 O SER A 98 -26.557 5.342 -9.438 1.00 0.00 O ATOM 1639 CB SER A 98 -26.304 3.509 -6.800 1.00 0.00 C ATOM 1640 OG SER A 98 -25.141 4.250 -7.147 1.00 0.00 O ATOM 0 H SER A 98 -27.863 1.713 -7.429 1.00 0.00 H new ATOM 0 HA SER A 98 -28.070 4.473 -7.570 1.00 0.00 H new ATOM 0 HB2 SER A 98 -26.687 3.841 -5.835 1.00 0.00 H new ATOM 0 HB3 SER A 98 -26.059 2.452 -6.699 1.00 0.00 H new ATOM 0 HG SER A 98 -24.458 4.130 -6.455 1.00 0.00 H new ATOM 1646 N GLN A 99 -26.284 3.179 -9.990 1.00 0.00 N ATOM 1647 CA GLN A 99 -25.627 3.484 -11.257 1.00 0.00 C ATOM 1648 C GLN A 99 -26.593 4.180 -12.213 1.00 0.00 C ATOM 1649 O GLN A 99 -26.236 5.157 -12.869 1.00 0.00 O ATOM 1650 CB GLN A 99 -25.112 2.195 -11.900 1.00 0.00 C ATOM 1651 CG GLN A 99 -23.960 1.634 -11.065 1.00 0.00 C ATOM 1652 CD GLN A 99 -22.699 2.457 -11.301 1.00 0.00 C ATOM 1653 OE1 GLN A 99 -22.657 3.286 -12.210 1.00 0.00 O ATOM 1654 NE2 GLN A 99 -21.661 2.279 -10.530 1.00 0.00 N ATOM 0 H GLN A 99 -26.391 2.183 -9.795 1.00 0.00 H new ATOM 0 HA GLN A 99 -24.790 4.153 -11.057 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -25.917 1.463 -11.967 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -24.775 2.393 -12.918 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -24.224 1.652 -10.008 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -23.780 0.592 -11.331 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -21.697 1.592 -9.777 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -20.814 2.827 -10.680 1.00 0.00 H new ATOM 1663 N ILE A 100 -27.816 3.663 -12.290 1.00 0.00 N ATOM 1664 CA ILE A 100 -28.825 4.237 -13.174 1.00 0.00 C ATOM 1665 C ILE A 100 -29.278 5.605 -12.669 1.00 0.00 C ATOM 1666 O ILE A 100 -29.595 6.494 -13.459 1.00 0.00 O ATOM 1667 CB ILE A 100 -30.030 3.300 -13.260 1.00 0.00 C ATOM 1668 CG1 ILE A 100 -29.604 1.983 -13.914 1.00 0.00 C ATOM 1669 CG2 ILE A 100 -31.127 3.954 -14.103 1.00 0.00 C ATOM 1670 CD1 ILE A 100 -29.683 2.115 -15.436 1.00 0.00 C ATOM 0 H ILE A 100 -28.131 2.854 -11.755 1.00 0.00 H new ATOM 0 HA ILE A 100 -28.383 4.361 -14.163 1.00 0.00 H new ATOM 0 HB ILE A 100 -30.410 3.104 -12.257 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -28.588 1.728 -13.614 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -30.249 1.172 -13.575 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -31.986 3.286 -14.164 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -31.430 4.893 -13.640 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -30.747 4.150 -15.106 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -29.379 1.176 -15.899 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -30.707 2.349 -15.728 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -29.019 2.914 -15.767 1.00 0.00 H new ATOM 1682 N LEU A 101 -29.312 5.764 -11.350 1.00 0.00 N ATOM 1683 CA LEU A 101 -29.736 7.026 -10.753 1.00 0.00 C ATOM 1684 C LEU A 101 -28.843 8.173 -11.217 1.00 0.00 C ATOM 1685 O LEU A 101 -29.328 9.259 -11.537 1.00 0.00 O ATOM 1686 CB LEU A 101 -29.685 6.924 -9.227 1.00 0.00 C ATOM 1687 CG LEU A 101 -30.510 8.054 -8.610 1.00 0.00 C ATOM 1688 CD1 LEU A 101 -31.993 7.819 -8.897 1.00 0.00 C ATOM 1689 CD2 LEU A 101 -30.281 8.084 -7.097 1.00 0.00 C ATOM 0 H LEU A 101 -29.053 5.041 -10.678 1.00 0.00 H new ATOM 0 HA LEU A 101 -30.758 7.228 -11.072 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -30.073 5.958 -8.904 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -28.653 6.984 -8.883 1.00 0.00 H new ATOM 0 HG LEU A 101 -30.204 9.006 -9.043 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -32.581 8.625 -8.457 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -32.156 7.797 -9.975 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -32.301 6.867 -8.464 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -30.869 8.889 -6.656 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -30.587 7.132 -6.664 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -29.224 8.252 -6.892 1.00 0.00 H new ATOM 1701 N ASN A 102 -27.538 7.928 -11.248 1.00 0.00 N ATOM 1702 CA ASN A 102 -26.587 8.952 -11.671 1.00 0.00 C ATOM 1703 C ASN A 102 -26.960 9.507 -13.042 1.00 0.00 C ATOM 1704 O ASN A 102 -26.819 10.703 -13.296 1.00 0.00 O ATOM 1705 CB ASN A 102 -25.178 8.364 -11.725 1.00 0.00 C ATOM 1706 CG ASN A 102 -24.944 7.460 -10.520 1.00 0.00 C ATOM 1707 OD1 ASN A 102 -24.547 6.306 -10.677 1.00 0.00 O ATOM 1708 ND2 ASN A 102 -25.166 7.920 -9.319 1.00 0.00 N ATOM 0 H ASN A 102 -27.116 7.037 -10.988 1.00 0.00 H new ATOM 0 HA ASN A 102 -26.617 9.765 -10.946 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -25.047 7.797 -12.646 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -24.440 9.166 -11.737 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -25.010 7.322 -8.507 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -25.495 8.877 -9.192 1.00 0.00 H new ATOM 1715 N LEU A 103 -27.433 8.631 -13.923 1.00 0.00 N ATOM 1716 CA LEU A 103 -27.819 9.050 -15.267 1.00 0.00 C ATOM 1717 C LEU A 103 -29.062 9.931 -15.221 1.00 0.00 C ATOM 1718 O LEU A 103 -29.173 10.904 -15.967 1.00 0.00 O ATOM 1719 CB LEU A 103 -28.092 7.820 -16.139 1.00 0.00 C ATOM 1720 CG LEU A 103 -27.096 7.781 -17.300 1.00 0.00 C ATOM 1721 CD1 LEU A 103 -27.301 9.008 -18.193 1.00 0.00 C ATOM 1722 CD2 LEU A 103 -25.670 7.786 -16.745 1.00 0.00 C ATOM 0 H LEU A 103 -27.558 7.636 -13.734 1.00 0.00 H new ATOM 0 HA LEU A 103 -26.999 9.626 -15.696 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -28.005 6.912 -15.542 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -29.112 7.853 -16.523 1.00 0.00 H new ATOM 0 HG LEU A 103 -27.256 6.876 -17.887 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -26.591 8.979 -19.020 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -28.317 9.005 -18.587 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -27.141 9.914 -17.609 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -24.958 7.758 -17.570 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -25.511 8.691 -16.159 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -25.524 6.912 -16.110 1.00 0.00 H new ATOM 1734 N GLU A 104 -29.998 9.585 -14.342 1.00 0.00 N ATOM 1735 CA GLU A 104 -31.230 10.353 -14.212 1.00 0.00 C ATOM 1736 C GLU A 104 -30.923 11.826 -13.956 1.00 0.00 C ATOM 1737 O GLU A 104 -31.569 12.710 -14.520 1.00 0.00 O ATOM 1738 CB GLU A 104 -32.072 9.799 -13.061 1.00 0.00 C ATOM 1739 CG GLU A 104 -32.367 8.318 -13.308 1.00 0.00 C ATOM 1740 CD GLU A 104 -33.201 8.160 -14.574 1.00 0.00 C ATOM 1741 OE1 GLU A 104 -33.943 9.076 -14.891 1.00 0.00 O ATOM 1742 OE2 GLU A 104 -33.087 7.123 -15.210 1.00 0.00 O ATOM 0 H GLU A 104 -29.927 8.784 -13.714 1.00 0.00 H new ATOM 0 HA GLU A 104 -31.787 10.268 -15.145 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -31.541 9.922 -12.117 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -33.005 10.357 -12.978 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -31.434 7.763 -13.405 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -32.900 7.897 -12.456 1.00 0.00 H new ATOM 1749 N GLU A 105 -29.937 12.081 -13.103 1.00 0.00 N ATOM 1750 CA GLU A 105 -29.555 13.451 -12.778 1.00 0.00 C ATOM 1751 C GLU A 105 -29.135 14.207 -14.035 1.00 0.00 C ATOM 1752 O GLU A 105 -29.460 15.382 -14.201 1.00 0.00 O ATOM 1753 CB GLU A 105 -28.398 13.447 -11.777 1.00 0.00 C ATOM 1754 CG GLU A 105 -28.859 12.814 -10.463 1.00 0.00 C ATOM 1755 CD GLU A 105 -27.652 12.346 -9.658 1.00 0.00 C ATOM 1756 OE1 GLU A 105 -26.542 12.545 -10.124 1.00 0.00 O ATOM 1757 OE2 GLU A 105 -27.854 11.796 -8.588 1.00 0.00 O ATOM 0 H GLU A 105 -29.391 11.363 -12.627 1.00 0.00 H new ATOM 0 HA GLU A 105 -30.418 13.951 -12.338 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -27.554 12.891 -12.184 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -28.053 14.466 -11.600 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -29.435 13.536 -9.884 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -29.519 11.971 -10.668 1.00 0.00 H new ATOM 1764 N SER A 106 -28.408 13.526 -14.916 1.00 0.00 N ATOM 1765 CA SER A 106 -27.947 14.146 -16.153 1.00 0.00 C ATOM 1766 C SER A 106 -29.128 14.522 -17.042 1.00 0.00 C ATOM 1767 O SER A 106 -29.116 15.564 -17.697 1.00 0.00 O ATOM 1768 CB SER A 106 -27.025 13.187 -16.905 1.00 0.00 C ATOM 1769 OG SER A 106 -26.396 12.313 -15.976 1.00 0.00 O ATOM 0 H SER A 106 -28.127 12.553 -14.798 1.00 0.00 H new ATOM 0 HA SER A 106 -27.399 15.053 -15.898 1.00 0.00 H new ATOM 0 HB2 SER A 106 -27.596 12.612 -17.634 1.00 0.00 H new ATOM 0 HB3 SER A 106 -26.273 13.748 -17.460 1.00 0.00 H new ATOM 0 HG SER A 106 -25.805 11.696 -16.456 1.00 0.00 H new ATOM 1775 N LYS A 107 -30.145 13.668 -17.061 1.00 0.00 N ATOM 1776 CA LYS A 107 -31.329 13.921 -17.876 1.00 0.00 C ATOM 1777 C LYS A 107 -31.920 15.291 -17.554 1.00 0.00 C ATOM 1778 O LYS A 107 -32.326 16.028 -18.451 1.00 0.00 O ATOM 1779 CB LYS A 107 -32.378 12.836 -17.623 1.00 0.00 C ATOM 1780 CG LYS A 107 -32.994 12.398 -18.952 1.00 0.00 C ATOM 1781 CD LYS A 107 -31.916 11.754 -19.827 1.00 0.00 C ATOM 1782 CE LYS A 107 -32.499 10.535 -20.544 1.00 0.00 C ATOM 1783 NZ LYS A 107 -32.511 9.368 -19.617 1.00 0.00 N ATOM 0 H LYS A 107 -30.175 12.800 -16.526 1.00 0.00 H new ATOM 0 HA LYS A 107 -31.035 13.904 -18.926 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -31.920 11.982 -17.124 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -33.154 13.215 -16.958 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -33.804 11.690 -18.774 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -33.428 13.257 -19.464 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -31.546 12.475 -20.556 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -31.066 11.456 -19.214 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -33.511 10.751 -20.886 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -31.906 10.303 -21.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -32.908 8.540 -20.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -31.539 9.157 -19.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -33.094 9.591 -18.785 1.00 0.00 H new ATOM 1797 N ALA A 108 -31.965 15.623 -16.267 1.00 0.00 N ATOM 1798 CA ALA A 108 -32.509 16.906 -15.838 1.00 0.00 C ATOM 1799 C ALA A 108 -31.521 18.032 -16.120 1.00 0.00 C ATOM 1800 O ALA A 108 -31.916 19.152 -16.445 1.00 0.00 O ATOM 1801 CB ALA A 108 -32.823 16.864 -14.341 1.00 0.00 C ATOM 0 H ALA A 108 -31.634 15.026 -15.509 1.00 0.00 H new ATOM 0 HA ALA A 108 -33.425 17.095 -16.398 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -33.229 17.826 -14.027 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -33.554 16.080 -14.144 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -31.910 16.656 -13.783 1.00 0.00 H new ATOM 1807 N THR A 109 -30.234 17.729 -15.992 1.00 0.00 N ATOM 1808 CA THR A 109 -29.196 18.724 -16.235 1.00 0.00 C ATOM 1809 C THR A 109 -29.246 19.213 -17.680 1.00 0.00 C ATOM 1810 O THR A 109 -29.233 20.417 -17.938 1.00 0.00 O ATOM 1811 CB THR A 109 -27.818 18.123 -15.946 1.00 0.00 C ATOM 1812 OG1 THR A 109 -27.889 17.326 -14.771 1.00 0.00 O ATOM 1813 CG2 THR A 109 -26.801 19.246 -15.743 1.00 0.00 C ATOM 0 H THR A 109 -29.886 16.809 -15.723 1.00 0.00 H new ATOM 0 HA THR A 109 -29.371 19.571 -15.571 1.00 0.00 H new ATOM 0 HB THR A 109 -27.507 17.504 -16.788 1.00 0.00 H new ATOM 0 HG1 THR A 109 -28.356 16.488 -14.972 1.00 0.00 H new ATOM 0 HG21 THR A 109 -25.821 18.816 -15.537 1.00 0.00 H new ATOM 0 HG22 THR A 109 -26.748 19.856 -16.645 1.00 0.00 H new ATOM 0 HG23 THR A 109 -27.108 19.868 -14.902 1.00 0.00 H new ATOM 1821 N ILE A 110 -29.304 18.272 -18.616 1.00 0.00 N ATOM 1822 CA ILE A 110 -29.353 18.618 -20.033 1.00 0.00 C ATOM 1823 C ILE A 110 -30.669 19.310 -20.375 1.00 0.00 C ATOM 1824 O ILE A 110 -30.713 20.194 -21.230 1.00 0.00 O ATOM 1825 CB ILE A 110 -29.205 17.355 -20.883 1.00 0.00 C ATOM 1826 CG1 ILE A 110 -30.359 16.395 -20.576 1.00 0.00 C ATOM 1827 CG2 ILE A 110 -27.876 16.673 -20.555 1.00 0.00 C ATOM 1828 CD1 ILE A 110 -30.317 15.216 -21.551 1.00 0.00 C ATOM 0 H ILE A 110 -29.318 17.271 -18.422 1.00 0.00 H new ATOM 0 HA ILE A 110 -28.531 19.302 -20.247 1.00 0.00 H new ATOM 0 HB ILE A 110 -29.226 17.624 -21.939 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -30.283 16.035 -19.550 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -31.312 16.917 -20.661 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -27.770 15.773 -21.160 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -27.054 17.355 -20.772 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -27.856 16.404 -19.499 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -31.138 14.533 -21.332 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -30.414 15.585 -22.572 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -29.369 14.689 -21.444 1.00 0.00 H new ATOM 1840 N HIS A 111 -31.739 18.900 -19.704 1.00 0.00 N ATOM 1841 CA HIS A 111 -33.052 19.484 -19.946 1.00 0.00 C ATOM 1842 C HIS A 111 -33.043 20.979 -19.637 1.00 0.00 C ATOM 1843 O HIS A 111 -33.684 21.769 -20.330 1.00 0.00 O ATOM 1844 CB HIS A 111 -34.101 18.786 -19.077 1.00 0.00 C ATOM 1845 CG HIS A 111 -35.463 19.344 -19.385 1.00 0.00 C ATOM 1846 ND1 HIS A 111 -36.323 18.739 -20.289 1.00 0.00 N ATOM 1847 CD2 HIS A 111 -36.130 20.448 -18.915 1.00 0.00 C ATOM 1848 CE1 HIS A 111 -37.448 19.476 -20.333 1.00 0.00 C ATOM 1849 NE2 HIS A 111 -37.383 20.529 -19.515 1.00 0.00 N ATOM 0 H HIS A 111 -31.724 18.170 -18.992 1.00 0.00 H new ATOM 0 HA HIS A 111 -33.301 19.346 -20.998 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -34.086 17.712 -19.263 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -33.868 18.930 -18.022 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -35.741 21.147 -18.190 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -38.300 19.244 -20.955 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -38.098 21.240 -19.363 1.00 0.00 H new ATOM 1858 N GLU A 112 -32.314 21.359 -18.593 1.00 0.00 N ATOM 1859 CA GLU A 112 -32.230 22.762 -18.200 1.00 0.00 C ATOM 1860 C GLU A 112 -31.448 23.564 -19.237 1.00 0.00 C ATOM 1861 O GLU A 112 -31.648 24.770 -19.381 1.00 0.00 O ATOM 1862 CB GLU A 112 -31.549 22.882 -16.835 1.00 0.00 C ATOM 1863 CG GLU A 112 -32.568 23.337 -15.789 1.00 0.00 C ATOM 1864 CD GLU A 112 -33.684 22.307 -15.666 1.00 0.00 C ATOM 1865 OE1 GLU A 112 -33.804 21.484 -16.559 1.00 0.00 O ATOM 1866 OE2 GLU A 112 -34.402 22.354 -14.681 1.00 0.00 O ATOM 0 H GLU A 112 -31.776 20.721 -18.007 1.00 0.00 H new ATOM 0 HA GLU A 112 -33.241 23.164 -18.136 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -31.120 21.922 -16.546 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -30.726 23.595 -16.890 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -32.077 23.470 -14.825 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -32.984 24.304 -16.071 1.00 0.00 H new ATOM 1873 N ASN A 113 -30.557 22.888 -19.954 1.00 0.00 N ATOM 1874 CA ASN A 113 -29.751 23.550 -20.973 1.00 0.00 C ATOM 1875 C ASN A 113 -30.617 23.958 -22.160 1.00 0.00 C ATOM 1876 O ASN A 113 -30.327 24.937 -22.845 1.00 0.00 O ATOM 1877 CB ASN A 113 -28.637 22.614 -21.447 1.00 0.00 C ATOM 1878 CG ASN A 113 -27.649 23.380 -22.321 1.00 0.00 C ATOM 1879 OD1 ASN A 113 -27.720 23.308 -23.547 1.00 0.00 O ATOM 1880 ND2 ASN A 113 -26.725 24.111 -21.759 1.00 0.00 N ATOM 0 H ASN A 113 -30.375 21.890 -19.850 1.00 0.00 H new ATOM 0 HA ASN A 113 -29.310 24.446 -20.536 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -28.120 22.186 -20.588 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -29.063 21.783 -22.008 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -26.059 24.624 -22.337 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -26.669 24.169 -20.742 1.00 0.00 H new