USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=15 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 Set 1.1: A 70 SER OG : rot -40:sc= -0.397 USER MOD Set 1.2: A 71 THR OG1 : rot 99:sc= 1.26 USER MOD Single : A 21 THR OG1 : rot 64:sc= -0.244 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -133:sc=-0.00729 (180deg=-0.0983) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -107:sc= -0.688 (180deg=-1.95!) USER MOD Single : A 74 SER OG : rot 86:sc= 0.00875 USER MOD Single : A 93 GLN : amide:sc= -0.134 K(o=-0.13,f=-1.2!) 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+ 165:sc= -1.05 (180deg=-2.19!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.24) USER MOD Single : A 102 ASN : amide:sc= -0.779 K(o=-0.78,f=-1.8!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 88:sc= 0.0149 USER MOD Single : A 111 HIS : no HD1:sc= -1.03! C(o=-1!,f=-3.2!) USER MOD Single : A 113 ASN :FLIP amide:sc= -0.647 F(o=-1.8!,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 173 N GLU A 12 18.288 38.721 -48.872 1.00 0.00 N ATOM 174 CA GLU A 12 16.841 38.902 -48.884 1.00 0.00 C ATOM 175 C GLU A 12 16.162 37.819 -48.051 1.00 0.00 C ATOM 176 O GLU A 12 15.167 38.072 -47.373 1.00 0.00 O ATOM 177 CB GLU A 12 16.320 38.846 -50.322 1.00 0.00 C ATOM 178 CG GLU A 12 14.909 39.432 -50.377 1.00 0.00 C ATOM 179 CD GLU A 12 14.977 40.955 -50.406 1.00 0.00 C ATOM 180 OE1 GLU A 12 15.333 41.531 -49.391 1.00 0.00 O ATOM 181 OE2 GLU A 12 14.672 41.522 -51.441 1.00 0.00 O ATOM 0 HA GLU A 12 16.610 39.876 -48.453 1.00 0.00 H new ATOM 0 HB2 GLU A 12 16.983 39.405 -50.982 1.00 0.00 H new ATOM 0 HB3 GLU A 12 16.311 37.815 -50.677 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.389 39.066 -51.262 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.335 39.102 -49.511 1.00 0.00 H new ATOM 188 N ASP A 13 16.715 36.612 -48.105 1.00 0.00 N ATOM 189 CA ASP A 13 16.164 35.491 -47.353 1.00 0.00 C ATOM 190 C ASP A 13 16.439 35.659 -45.862 1.00 0.00 C ATOM 191 O ASP A 13 15.606 35.316 -45.023 1.00 0.00 O ATOM 192 CB ASP A 13 16.784 34.180 -47.842 1.00 0.00 C ATOM 193 CG ASP A 13 15.689 33.154 -48.112 1.00 0.00 C ATOM 194 OD1 ASP A 13 14.916 32.888 -47.205 1.00 0.00 O ATOM 195 OD2 ASP A 13 15.638 32.650 -49.221 1.00 0.00 O ATOM 0 H ASP A 13 17.541 36.386 -48.659 1.00 0.00 H new ATOM 0 HA ASP A 13 15.086 35.466 -47.512 1.00 0.00 H new ATOM 0 HB2 ASP A 13 17.360 34.357 -48.750 1.00 0.00 H new ATOM 0 HB3 ASP A 13 17.478 33.795 -47.095 1.00 0.00 H new ATOM 200 N VAL A 14 17.615 36.188 -45.541 1.00 0.00 N ATOM 201 CA VAL A 14 17.997 36.396 -44.151 1.00 0.00 C ATOM 202 C VAL A 14 17.281 37.614 -43.585 1.00 0.00 C ATOM 203 O VAL A 14 16.709 37.561 -42.497 1.00 0.00 O ATOM 204 CB VAL A 14 19.512 36.595 -44.052 1.00 0.00 C ATOM 205 CG1 VAL A 14 19.844 37.407 -42.799 1.00 0.00 C ATOM 206 CG2 VAL A 14 20.199 35.229 -43.969 1.00 0.00 C ATOM 0 H VAL A 14 18.317 36.479 -46.222 1.00 0.00 H new ATOM 0 HA VAL A 14 17.711 35.517 -43.573 1.00 0.00 H new ATOM 0 HB VAL A 14 19.865 37.130 -44.933 1.00 0.00 H new ATOM 0 HG11 VAL A 14 20.923 37.547 -42.731 1.00 0.00 H new ATOM 0 HG12 VAL A 14 19.355 38.379 -42.855 1.00 0.00 H new ATOM 0 HG13 VAL A 14 19.491 36.874 -41.916 1.00 0.00 H new ATOM 0 HG21 VAL A 14 21.278 35.368 -43.898 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.843 34.696 -43.087 1.00 0.00 H new ATOM 0 HG23 VAL A 14 19.966 34.649 -44.862 1.00 0.00 H new ATOM 216 N PHE A 15 17.310 38.708 -44.336 1.00 0.00 N ATOM 217 CA PHE A 15 16.652 39.930 -43.903 1.00 0.00 C ATOM 218 C PHE A 15 15.153 39.699 -43.787 1.00 0.00 C ATOM 219 O PHE A 15 14.490 40.278 -42.927 1.00 0.00 O ATOM 220 CB PHE A 15 16.924 41.061 -44.896 1.00 0.00 C ATOM 221 CG PHE A 15 16.407 42.359 -44.324 1.00 0.00 C ATOM 222 CD1 PHE A 15 15.029 42.605 -44.281 1.00 0.00 C ATOM 223 CD2 PHE A 15 17.304 43.316 -43.836 1.00 0.00 C ATOM 224 CE1 PHE A 15 14.549 43.807 -43.748 1.00 0.00 C ATOM 225 CE2 PHE A 15 16.823 44.518 -43.302 1.00 0.00 C ATOM 226 CZ PHE A 15 15.445 44.763 -43.258 1.00 0.00 C ATOM 0 H PHE A 15 17.778 38.773 -45.240 1.00 0.00 H new ATOM 0 HA PHE A 15 17.049 40.213 -42.928 1.00 0.00 H new ATOM 0 HB2 PHE A 15 17.993 41.137 -45.094 1.00 0.00 H new ATOM 0 HB3 PHE A 15 16.437 40.850 -45.848 1.00 0.00 H new ATOM 0 HD1 PHE A 15 14.337 41.867 -44.659 1.00 0.00 H new ATOM 0 HD2 PHE A 15 18.367 43.128 -43.871 1.00 0.00 H new ATOM 0 HE1 PHE A 15 13.486 43.996 -43.715 1.00 0.00 H new ATOM 0 HE2 PHE A 15 17.515 45.256 -42.924 1.00 0.00 H new ATOM 0 HZ PHE A 15 15.074 45.690 -42.846 1.00 0.00 H new ATOM 236 N ARG A 16 14.625 38.845 -44.659 1.00 0.00 N ATOM 237 CA ARG A 16 13.197 38.543 -44.639 1.00 0.00 C ATOM 238 C ARG A 16 12.823 37.854 -43.331 1.00 0.00 C ATOM 239 O ARG A 16 11.809 38.178 -42.714 1.00 0.00 O ATOM 240 CB ARG A 16 12.832 37.642 -45.819 1.00 0.00 C ATOM 241 CG ARG A 16 12.727 38.484 -47.092 1.00 0.00 C ATOM 242 CD ARG A 16 11.280 38.944 -47.283 1.00 0.00 C ATOM 243 NE ARG A 16 10.861 39.783 -46.165 1.00 0.00 N ATOM 244 CZ ARG A 16 10.130 39.293 -45.167 1.00 0.00 C ATOM 245 NH1 ARG A 16 9.778 38.036 -45.167 1.00 0.00 N ATOM 246 NH2 ARG A 16 9.766 40.070 -44.185 1.00 0.00 N ATOM 0 H ARG A 16 15.156 38.355 -45.379 1.00 0.00 H new ATOM 0 HA ARG A 16 12.643 39.478 -44.720 1.00 0.00 H new ATOM 0 HB2 ARG A 16 13.587 36.866 -45.945 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.886 37.137 -45.625 1.00 0.00 H new ATOM 0 HG2 ARG A 16 13.388 39.348 -47.025 1.00 0.00 H new ATOM 0 HG3 ARG A 16 13.051 37.901 -47.954 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.188 39.499 -48.217 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.624 38.077 -47.362 1.00 0.00 H new ATOM 0 HE ARG A 16 11.134 40.766 -46.148 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.063 37.426 -45.933 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.218 37.663 -44.401 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.042 41.052 -44.183 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.206 39.696 -43.419 1.00 0.00 H new ATOM 260 N ARG A 17 13.653 36.905 -42.914 1.00 0.00 N ATOM 261 CA ARG A 17 13.407 36.177 -41.675 1.00 0.00 C ATOM 262 C ARG A 17 13.772 37.041 -40.472 1.00 0.00 C ATOM 263 O ARG A 17 13.135 36.961 -39.421 1.00 0.00 O ATOM 264 CB ARG A 17 14.234 34.891 -41.655 1.00 0.00 C ATOM 265 CG ARG A 17 13.931 34.104 -40.379 1.00 0.00 C ATOM 266 CD ARG A 17 14.542 32.706 -40.487 1.00 0.00 C ATOM 267 NE ARG A 17 13.948 31.816 -39.495 1.00 0.00 N ATOM 268 CZ ARG A 17 13.754 30.527 -39.757 1.00 0.00 C ATOM 269 NH1 ARG A 17 14.083 30.039 -40.922 1.00 0.00 N ATOM 270 NH2 ARG A 17 13.233 29.749 -38.849 1.00 0.00 N ATOM 0 H ARG A 17 14.497 36.623 -43.412 1.00 0.00 H new ATOM 0 HA ARG A 17 12.348 35.926 -41.621 1.00 0.00 H new ATOM 0 HB2 ARG A 17 14.003 34.285 -42.531 1.00 0.00 H new ATOM 0 HB3 ARG A 17 15.296 35.129 -41.703 1.00 0.00 H new ATOM 0 HG2 ARG A 17 14.338 34.625 -39.512 1.00 0.00 H new ATOM 0 HG3 ARG A 17 12.854 34.032 -40.231 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.379 32.307 -41.488 1.00 0.00 H new ATOM 0 HD3 ARG A 17 15.620 32.760 -40.337 1.00 0.00 H new ATOM 0 HE ARG A 17 13.677 32.189 -38.585 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.490 30.647 -41.633 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.933 29.050 -41.121 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.975 30.130 -37.939 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.084 28.760 -39.049 1.00 0.00 H new ATOM 284 N ILE A 18 14.802 37.864 -40.634 1.00 0.00 N ATOM 285 CA ILE A 18 15.250 38.737 -39.554 1.00 0.00 C ATOM 286 C ILE A 18 14.140 39.702 -39.138 1.00 0.00 C ATOM 287 O ILE A 18 14.029 40.062 -37.972 1.00 0.00 O ATOM 288 CB ILE A 18 16.495 39.519 -40.002 1.00 0.00 C ATOM 289 CG1 ILE A 18 17.551 39.467 -38.895 1.00 0.00 C ATOM 290 CG2 ILE A 18 16.134 40.980 -40.290 1.00 0.00 C ATOM 291 CD1 ILE A 18 18.790 40.251 -39.330 1.00 0.00 C ATOM 0 H ILE A 18 15.340 37.945 -41.497 1.00 0.00 H new ATOM 0 HA ILE A 18 15.504 38.121 -38.691 1.00 0.00 H new ATOM 0 HB ILE A 18 16.887 39.066 -40.913 1.00 0.00 H new ATOM 0 HG12 ILE A 18 17.147 39.887 -37.974 1.00 0.00 H new ATOM 0 HG13 ILE A 18 17.819 38.432 -38.683 1.00 0.00 H new ATOM 0 HG21 ILE A 18 17.027 41.520 -40.606 1.00 0.00 H new ATOM 0 HG22 ILE A 18 15.386 41.021 -41.082 1.00 0.00 H new ATOM 0 HG23 ILE A 18 15.732 41.440 -39.387 1.00 0.00 H new ATOM 0 HD11 ILE A 18 19.541 40.213 -38.540 1.00 0.00 H new ATOM 0 HD12 ILE A 18 19.198 39.811 -40.240 1.00 0.00 H new ATOM 0 HD13 ILE A 18 18.516 41.289 -39.520 1.00 0.00 H new ATOM 303 N PHE A 19 13.327 40.116 -40.103 1.00 0.00 N ATOM 304 CA PHE A 19 12.230 41.042 -39.835 1.00 0.00 C ATOM 305 C PHE A 19 11.123 40.336 -39.067 1.00 0.00 C ATOM 306 O PHE A 19 10.705 40.793 -38.003 1.00 0.00 O ATOM 307 CB PHE A 19 11.677 41.590 -41.152 1.00 0.00 C ATOM 308 CG PHE A 19 10.574 42.581 -40.867 1.00 0.00 C ATOM 309 CD1 PHE A 19 9.256 42.135 -40.703 1.00 0.00 C ATOM 310 CD2 PHE A 19 10.868 43.945 -40.770 1.00 0.00 C ATOM 311 CE1 PHE A 19 8.234 43.054 -40.443 1.00 0.00 C ATOM 312 CE2 PHE A 19 9.845 44.866 -40.509 1.00 0.00 C ATOM 313 CZ PHE A 19 8.529 44.420 -40.345 1.00 0.00 C ATOM 0 H PHE A 19 13.406 39.826 -41.078 1.00 0.00 H new ATOM 0 HA PHE A 19 12.607 41.868 -39.233 1.00 0.00 H new ATOM 0 HB2 PHE A 19 12.473 42.071 -41.720 1.00 0.00 H new ATOM 0 HB3 PHE A 19 11.296 40.774 -41.766 1.00 0.00 H new ATOM 0 HD1 PHE A 19 9.029 41.082 -40.777 1.00 0.00 H new ATOM 0 HD2 PHE A 19 11.884 44.288 -40.896 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.218 42.711 -40.318 1.00 0.00 H new ATOM 0 HE2 PHE A 19 10.072 45.919 -40.434 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.740 45.129 -40.143 1.00 0.00 H new ATOM 323 N ILE A 20 10.671 39.204 -39.595 1.00 0.00 N ATOM 324 CA ILE A 20 9.637 38.437 -38.921 1.00 0.00 C ATOM 325 C ILE A 20 10.202 37.928 -37.607 1.00 0.00 C ATOM 326 O ILE A 20 9.517 37.892 -36.584 1.00 0.00 O ATOM 327 CB ILE A 20 9.198 37.256 -39.790 1.00 0.00 C ATOM 328 CG1 ILE A 20 8.728 37.774 -41.153 1.00 0.00 C ATOM 329 CG2 ILE A 20 8.048 36.516 -39.105 1.00 0.00 C ATOM 330 CD1 ILE A 20 8.396 36.588 -42.061 1.00 0.00 C ATOM 0 H ILE A 20 11.000 38.804 -40.474 1.00 0.00 H new ATOM 0 HA ILE A 20 8.767 39.069 -38.740 1.00 0.00 H new ATOM 0 HB ILE A 20 10.038 36.575 -39.927 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.850 38.409 -41.030 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.505 38.388 -41.608 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.736 35.675 -39.725 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.379 36.148 -38.134 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.208 37.197 -38.968 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.061 36.955 -43.031 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.285 35.971 -42.193 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.605 35.992 -41.606 1.00 0.00 H new ATOM 342 N THR A 21 11.476 37.558 -37.652 1.00 0.00 N ATOM 343 CA THR A 21 12.174 37.072 -36.475 1.00 0.00 C ATOM 344 C THR A 21 12.499 38.236 -35.543 1.00 0.00 C ATOM 345 O THR A 21 12.420 38.104 -34.322 1.00 0.00 O ATOM 346 CB THR A 21 13.465 36.362 -36.887 1.00 0.00 C ATOM 347 OG1 THR A 21 13.153 35.283 -37.757 1.00 0.00 O ATOM 348 CG2 THR A 21 14.177 35.829 -35.643 1.00 0.00 C ATOM 0 H THR A 21 12.047 37.587 -38.497 1.00 0.00 H new ATOM 0 HA THR A 21 11.531 36.365 -35.951 1.00 0.00 H new ATOM 0 HB THR A 21 14.119 37.066 -37.401 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.759 35.633 -38.583 1.00 0.00 H new ATOM 0 HG21 THR A 21 15.096 35.324 -35.939 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.417 36.658 -34.978 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.526 35.125 -35.125 1.00 0.00 H new ATOM 356 N TYR A 22 12.866 39.379 -36.127 1.00 0.00 N ATOM 357 CA TYR A 22 13.197 40.553 -35.321 1.00 0.00 C ATOM 358 C TYR A 22 11.995 40.964 -34.484 1.00 0.00 C ATOM 359 O TYR A 22 12.091 41.101 -33.263 1.00 0.00 O ATOM 360 CB TYR A 22 13.620 41.722 -36.214 1.00 0.00 C ATOM 361 CG TYR A 22 13.524 43.011 -35.434 1.00 0.00 C ATOM 362 CD1 TYR A 22 14.377 43.234 -34.347 1.00 0.00 C ATOM 363 CD2 TYR A 22 12.585 43.982 -35.799 1.00 0.00 C ATOM 364 CE1 TYR A 22 14.290 44.430 -33.624 1.00 0.00 C ATOM 365 CE2 TYR A 22 12.499 45.178 -35.076 1.00 0.00 C ATOM 366 CZ TYR A 22 13.352 45.402 -33.989 1.00 0.00 C ATOM 367 OH TYR A 22 13.267 46.581 -33.276 1.00 0.00 O ATOM 0 H TYR A 22 12.940 39.515 -37.135 1.00 0.00 H new ATOM 0 HA TYR A 22 14.028 40.294 -34.665 1.00 0.00 H new ATOM 0 HB2 TYR A 22 14.640 41.573 -36.567 1.00 0.00 H new ATOM 0 HB3 TYR A 22 12.981 41.770 -37.096 1.00 0.00 H new ATOM 0 HD1 TYR A 22 15.102 42.484 -34.066 1.00 0.00 H new ATOM 0 HD2 TYR A 22 11.927 43.809 -36.638 1.00 0.00 H new ATOM 0 HE1 TYR A 22 14.947 44.602 -32.784 1.00 0.00 H new ATOM 0 HE2 TYR A 22 11.774 45.928 -35.357 1.00 0.00 H new ATOM 0 HH TYR A 22 12.565 47.146 -33.661 1.00 0.00 H new ATOM 377 N MET A 23 10.859 41.144 -35.147 1.00 0.00 N ATOM 378 CA MET A 23 9.637 41.522 -34.455 1.00 0.00 C ATOM 379 C MET A 23 9.237 40.418 -33.487 1.00 0.00 C ATOM 380 O MET A 23 8.576 40.667 -32.479 1.00 0.00 O ATOM 381 CB MET A 23 8.510 41.757 -35.465 1.00 0.00 C ATOM 382 CG MET A 23 7.385 42.553 -34.802 1.00 0.00 C ATOM 383 SD MET A 23 5.818 42.186 -35.632 1.00 0.00 S ATOM 384 CE MET A 23 4.863 43.554 -34.933 1.00 0.00 C ATOM 0 H MET A 23 10.760 41.035 -36.156 1.00 0.00 H new ATOM 0 HA MET A 23 9.813 42.444 -33.901 1.00 0.00 H new ATOM 0 HB2 MET A 23 8.891 42.299 -36.331 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.129 40.803 -35.828 1.00 0.00 H new ATOM 0 HG2 MET A 23 7.318 42.297 -33.745 1.00 0.00 H new ATOM 0 HG3 MET A 23 7.598 43.621 -34.859 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.844 43.520 -35.318 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.844 43.467 -33.847 1.00 0.00 H new ATOM 0 HE3 MET A 23 5.325 44.501 -35.213 1.00 0.00 H new ATOM 394 N ASP A 24 9.645 39.191 -33.805 1.00 0.00 N ATOM 395 CA ASP A 24 9.323 38.047 -32.957 1.00 0.00 C ATOM 396 C ASP A 24 10.173 38.058 -31.689 1.00 0.00 C ATOM 397 O ASP A 24 9.683 37.759 -30.601 1.00 0.00 O ATOM 398 CB ASP A 24 9.565 36.744 -33.720 1.00 0.00 C ATOM 399 CG ASP A 24 9.182 35.553 -32.848 1.00 0.00 C ATOM 400 OD1 ASP A 24 9.903 35.280 -31.902 1.00 0.00 O ATOM 401 OD2 ASP A 24 8.173 34.930 -33.139 1.00 0.00 O ATOM 0 H ASP A 24 10.193 38.965 -34.635 1.00 0.00 H new ATOM 0 HA ASP A 24 8.272 38.116 -32.677 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.979 36.736 -34.639 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.613 36.671 -34.010 1.00 0.00 H new ATOM 826 N LEU A 51 8.132 14.598 -2.824 1.00 0.00 N ATOM 827 CA LEU A 51 7.196 14.859 -1.737 1.00 0.00 C ATOM 828 C LEU A 51 5.817 14.300 -2.069 1.00 0.00 C ATOM 829 O LEU A 51 5.114 13.792 -1.195 1.00 0.00 O ATOM 830 CB LEU A 51 7.095 16.364 -1.493 1.00 0.00 C ATOM 831 CG LEU A 51 6.412 16.623 -0.148 1.00 0.00 C ATOM 832 CD1 LEU A 51 7.405 16.378 0.990 1.00 0.00 C ATOM 833 CD2 LEU A 51 5.927 18.073 -0.097 1.00 0.00 C ATOM 0 HA LEU A 51 7.564 14.367 -0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.089 16.811 -1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.529 16.835 -2.296 1.00 0.00 H new ATOM 0 HG LEU A 51 5.563 15.948 -0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.916 16.563 1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.752 15.345 0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.256 17.051 0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.440 18.260 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.778 18.745 -0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.217 18.248 -0.906 1.00 0.00 H new ATOM 845 N TYR A 52 5.436 14.400 -3.339 1.00 0.00 N ATOM 846 CA TYR A 52 4.138 13.902 -3.780 1.00 0.00 C ATOM 847 C TYR A 52 4.143 12.378 -3.849 1.00 0.00 C ATOM 848 O TYR A 52 3.192 11.724 -3.421 1.00 0.00 O ATOM 849 CB TYR A 52 3.805 14.473 -5.160 1.00 0.00 C ATOM 850 CG TYR A 52 2.335 14.283 -5.449 1.00 0.00 C ATOM 851 CD1 TYR A 52 1.840 13.012 -5.764 1.00 0.00 C ATOM 852 CD2 TYR A 52 1.466 15.381 -5.405 1.00 0.00 C ATOM 853 CE1 TYR A 52 0.479 12.838 -6.035 1.00 0.00 C ATOM 854 CE2 TYR A 52 0.105 15.206 -5.677 1.00 0.00 C ATOM 855 CZ TYR A 52 -0.390 13.934 -5.991 1.00 0.00 C ATOM 856 OH TYR A 52 -1.731 13.763 -6.261 1.00 0.00 O ATOM 0 H TYR A 52 6.003 14.818 -4.076 1.00 0.00 H new ATOM 0 HA TYR A 52 3.384 14.220 -3.060 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.059 15.532 -5.197 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.403 13.976 -5.924 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.510 12.165 -5.798 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.847 16.362 -5.161 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.098 11.857 -6.278 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.565 16.053 -5.645 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.192 14.624 -6.186 1.00 0.00 H new ATOM 866 N LEU A 53 5.220 11.820 -4.392 1.00 0.00 N ATOM 867 CA LEU A 53 5.342 10.372 -4.516 1.00 0.00 C ATOM 868 C LEU A 53 5.511 9.727 -3.144 1.00 0.00 C ATOM 869 O LEU A 53 4.938 8.673 -2.868 1.00 0.00 O ATOM 870 CB LEU A 53 6.546 10.024 -5.395 1.00 0.00 C ATOM 871 CG LEU A 53 6.061 9.503 -6.748 1.00 0.00 C ATOM 872 CD1 LEU A 53 7.251 9.366 -7.699 1.00 0.00 C ATOM 873 CD2 LEU A 53 5.397 8.135 -6.560 1.00 0.00 C ATOM 0 H LEU A 53 6.017 12.345 -4.752 1.00 0.00 H new ATOM 0 HA LEU A 53 4.431 9.988 -4.975 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.172 10.905 -5.537 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.162 9.271 -4.904 1.00 0.00 H new ATOM 0 HG LEU A 53 5.339 10.203 -7.169 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.905 8.995 -8.664 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.723 10.339 -7.833 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.974 8.667 -7.279 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.051 7.763 -7.524 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.119 7.435 -6.139 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.548 8.232 -5.883 1.00 0.00 H new ATOM 885 N MET A 54 6.304 10.363 -2.287 1.00 0.00 N ATOM 886 CA MET A 54 6.542 9.838 -0.948 1.00 0.00 C ATOM 887 C MET A 54 5.223 9.533 -0.245 1.00 0.00 C ATOM 888 O MET A 54 5.076 8.491 0.393 1.00 0.00 O ATOM 889 CB MET A 54 7.337 10.853 -0.124 1.00 0.00 C ATOM 890 CG MET A 54 8.006 10.141 1.054 1.00 0.00 C ATOM 891 SD MET A 54 8.166 11.292 2.442 1.00 0.00 S ATOM 892 CE MET A 54 6.470 11.148 3.054 1.00 0.00 C ATOM 0 H MET A 54 6.789 11.236 -2.494 1.00 0.00 H new ATOM 0 HA MET A 54 7.113 8.914 -1.039 1.00 0.00 H new ATOM 0 HB2 MET A 54 8.091 11.334 -0.748 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.676 11.639 0.240 1.00 0.00 H new ATOM 0 HG2 MET A 54 7.415 9.275 1.352 1.00 0.00 H new ATOM 0 HG3 MET A 54 8.988 9.771 0.759 1.00 0.00 H new ATOM 0 HE1 MET A 54 6.065 12.142 3.242 1.00 0.00 H new ATOM 0 HE2 MET A 54 5.856 10.642 2.309 1.00 0.00 H new ATOM 0 HE3 MET A 54 6.465 10.573 3.980 1.00 0.00 H new ATOM 902 N VAL A 55 4.269 10.450 -0.365 1.00 0.00 N ATOM 903 CA VAL A 55 2.968 10.270 0.267 1.00 0.00 C ATOM 904 C VAL A 55 2.099 9.314 -0.545 1.00 0.00 C ATOM 905 O VAL A 55 1.328 8.535 0.015 1.00 0.00 O ATOM 906 CB VAL A 55 2.261 11.619 0.397 1.00 0.00 C ATOM 907 CG1 VAL A 55 2.969 12.466 1.457 1.00 0.00 C ATOM 908 CG2 VAL A 55 2.303 12.348 -0.948 1.00 0.00 C ATOM 0 H VAL A 55 4.371 11.319 -0.890 1.00 0.00 H new ATOM 0 HA VAL A 55 3.125 9.843 1.258 1.00 0.00 H new ATOM 0 HB VAL A 55 1.224 11.459 0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.465 13.428 1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.941 11.948 2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.006 12.626 1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.799 13.310 -0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.340 12.508 -1.243 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.800 11.746 -1.704 1.00 0.00 H new ATOM 918 N MET A 56 2.228 9.377 -1.866 1.00 0.00 N ATOM 919 CA MET A 56 1.446 8.509 -2.740 1.00 0.00 C ATOM 920 C MET A 56 1.866 7.054 -2.563 1.00 0.00 C ATOM 921 O MET A 56 1.039 6.145 -2.646 1.00 0.00 O ATOM 922 CB MET A 56 1.636 8.926 -4.199 1.00 0.00 C ATOM 923 CG MET A 56 0.296 8.839 -4.931 1.00 0.00 C ATOM 924 SD MET A 56 0.570 8.981 -6.714 1.00 0.00 S ATOM 925 CE MET A 56 -0.327 7.487 -7.202 1.00 0.00 C ATOM 0 H MET A 56 2.860 10.013 -2.352 1.00 0.00 H new ATOM 0 HA MET A 56 0.394 8.606 -2.471 1.00 0.00 H new ATOM 0 HB2 MET A 56 2.026 9.943 -4.250 1.00 0.00 H new ATOM 0 HB3 MET A 56 2.369 8.279 -4.681 1.00 0.00 H new ATOM 0 HG2 MET A 56 -0.194 7.893 -4.702 1.00 0.00 H new ATOM 0 HG3 MET A 56 -0.369 9.633 -4.590 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.286 7.376 -8.286 1.00 0.00 H new ATOM 0 HE2 MET A 56 0.131 6.617 -6.730 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.367 7.567 -6.885 1.00 0.00 H new ATOM 935 N ILE A 57 3.155 6.839 -2.317 1.00 0.00 N ATOM 936 CA ILE A 57 3.671 5.488 -2.127 1.00 0.00 C ATOM 937 C ILE A 57 3.148 4.897 -0.823 1.00 0.00 C ATOM 938 O ILE A 57 2.764 3.728 -0.768 1.00 0.00 O ATOM 939 CB ILE A 57 5.203 5.511 -2.112 1.00 0.00 C ATOM 940 CG1 ILE A 57 5.727 5.354 -3.541 1.00 0.00 C ATOM 941 CG2 ILE A 57 5.732 4.362 -1.249 1.00 0.00 C ATOM 942 CD1 ILE A 57 5.790 3.869 -3.902 1.00 0.00 C ATOM 0 H ILE A 57 3.856 7.576 -2.245 1.00 0.00 H new ATOM 0 HA ILE A 57 3.330 4.865 -2.954 1.00 0.00 H new ATOM 0 HB ILE A 57 5.544 6.459 -1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.076 5.881 -4.238 1.00 0.00 H new ATOM 0 HG13 ILE A 57 6.717 5.802 -3.628 1.00 0.00 H new ATOM 0 HG21 ILE A 57 6.822 4.384 -1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.361 4.471 -0.230 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.391 3.412 -1.659 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.163 3.758 -4.920 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.459 3.355 -3.212 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.793 3.435 -3.832 1.00 0.00 H new ATOM 954 N GLY A 58 3.134 5.712 0.227 1.00 0.00 N ATOM 955 CA GLY A 58 2.654 5.255 1.525 1.00 0.00 C ATOM 956 C GLY A 58 1.248 4.680 1.410 1.00 0.00 C ATOM 957 O GLY A 58 0.927 3.669 2.034 1.00 0.00 O ATOM 0 H GLY A 58 3.446 6.683 0.205 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.330 4.498 1.922 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.656 6.085 2.231 1.00 0.00 H new ATOM 961 N MET A 59 0.412 5.329 0.606 1.00 0.00 N ATOM 962 CA MET A 59 -0.958 4.870 0.414 1.00 0.00 C ATOM 963 C MET A 59 -0.976 3.555 -0.359 1.00 0.00 C ATOM 964 O MET A 59 -1.707 2.627 -0.008 1.00 0.00 O ATOM 965 CB MET A 59 -1.763 5.923 -0.350 1.00 0.00 C ATOM 966 CG MET A 59 -3.238 5.518 -0.373 1.00 0.00 C ATOM 967 SD MET A 59 -4.251 6.958 -0.791 1.00 0.00 S ATOM 968 CE MET A 59 -5.861 6.141 -0.680 1.00 0.00 C ATOM 0 H MET A 59 0.657 6.168 0.081 1.00 0.00 H new ATOM 0 HA MET A 59 -1.408 4.712 1.394 1.00 0.00 H new ATOM 0 HB2 MET A 59 -1.650 6.898 0.124 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.385 6.018 -1.368 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.397 4.724 -1.102 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.533 5.122 0.599 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.650 6.859 -0.905 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.903 5.320 -1.396 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.002 5.751 0.328 1.00 0.00 H new ATOM 978 N PHE A 60 -0.166 3.481 -1.409 1.00 0.00 N ATOM 979 CA PHE A 60 -0.096 2.272 -2.222 1.00 0.00 C ATOM 980 C PHE A 60 0.361 1.089 -1.376 1.00 0.00 C ATOM 981 O PHE A 60 -0.179 -0.011 -1.487 1.00 0.00 O ATOM 982 CB PHE A 60 0.876 2.478 -3.386 1.00 0.00 C ATOM 983 CG PHE A 60 0.619 1.432 -4.443 1.00 0.00 C ATOM 984 CD1 PHE A 60 1.054 0.117 -4.246 1.00 0.00 C ATOM 985 CD2 PHE A 60 -0.054 1.778 -5.621 1.00 0.00 C ATOM 986 CE1 PHE A 60 0.817 -0.854 -5.227 1.00 0.00 C ATOM 987 CE2 PHE A 60 -0.292 0.807 -6.602 1.00 0.00 C ATOM 988 CZ PHE A 60 0.143 -0.509 -6.405 1.00 0.00 C ATOM 0 H PHE A 60 0.447 4.237 -1.716 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.090 2.062 -2.616 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.750 3.475 -3.807 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.905 2.409 -3.032 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.573 -0.149 -3.337 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.389 2.793 -5.773 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.154 -1.869 -5.075 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.811 1.074 -7.511 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.041 -1.258 -7.161 1.00 0.00 H new ATOM 998 N SER A 61 1.357 1.325 -0.528 1.00 0.00 N ATOM 999 CA SER A 61 1.875 0.270 0.336 1.00 0.00 C ATOM 1000 C SER A 61 0.761 -0.291 1.212 1.00 0.00 C ATOM 1001 O SER A 61 0.750 -1.477 1.539 1.00 0.00 O ATOM 1002 CB SER A 61 2.995 0.819 1.222 1.00 0.00 C ATOM 1003 OG SER A 61 4.210 0.839 0.485 1.00 0.00 O ATOM 0 H SER A 61 1.818 2.229 -0.421 1.00 0.00 H new ATOM 0 HA SER A 61 2.271 -0.528 -0.292 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.746 1.824 1.562 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.106 0.200 2.112 1.00 0.00 H new ATOM 0 HG SER A 61 4.929 1.192 1.049 1.00 0.00 H new ATOM 1009 N PHE A 62 -0.177 0.574 1.588 1.00 0.00 N ATOM 1010 CA PHE A 62 -1.295 0.158 2.426 1.00 0.00 C ATOM 1011 C PHE A 62 -2.140 -0.891 1.709 1.00 0.00 C ATOM 1012 O PHE A 62 -2.530 -1.898 2.300 1.00 0.00 O ATOM 1013 CB PHE A 62 -2.164 1.369 2.771 1.00 0.00 C ATOM 1014 CG PHE A 62 -3.284 0.941 3.688 1.00 0.00 C ATOM 1015 CD1 PHE A 62 -3.009 0.609 5.020 1.00 0.00 C ATOM 1016 CD2 PHE A 62 -4.596 0.876 3.207 1.00 0.00 C ATOM 1017 CE1 PHE A 62 -4.048 0.211 5.871 1.00 0.00 C ATOM 1018 CE2 PHE A 62 -5.635 0.478 4.058 1.00 0.00 C ATOM 1019 CZ PHE A 62 -5.361 0.146 5.389 1.00 0.00 C ATOM 0 H PHE A 62 -0.185 1.560 1.327 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.898 -0.278 3.343 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.560 2.138 3.252 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.573 1.808 1.861 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.996 0.660 5.391 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.808 1.133 2.180 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.836 -0.046 6.899 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.648 0.427 3.686 1.00 0.00 H new ATOM 0 HZ PHE A 62 -6.162 -0.161 6.045 1.00 0.00 H new ATOM 1029 N ILE A 63 -2.417 -0.647 0.432 1.00 0.00 N ATOM 1030 CA ILE A 63 -3.216 -1.577 -0.358 1.00 0.00 C ATOM 1031 C ILE A 63 -2.580 -2.964 -0.358 1.00 0.00 C ATOM 1032 O ILE A 63 -3.272 -3.973 -0.221 1.00 0.00 O ATOM 1033 CB ILE A 63 -3.341 -1.067 -1.797 1.00 0.00 C ATOM 1034 CG1 ILE A 63 -4.508 -0.081 -1.886 1.00 0.00 C ATOM 1035 CG2 ILE A 63 -3.597 -2.244 -2.740 1.00 0.00 C ATOM 1036 CD1 ILE A 63 -4.138 1.217 -1.167 1.00 0.00 C ATOM 0 H ILE A 63 -2.103 0.180 -0.075 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.208 -1.646 0.089 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.416 -0.568 -2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.745 0.124 -2.930 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.400 -0.516 -1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.685 -1.878 -3.763 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.767 -2.948 -2.677 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.521 -2.746 -2.453 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.970 1.918 -1.231 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.923 1.004 -0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.257 1.655 -1.637 1.00 0.00 H new ATOM 1048 N ILE A 64 -1.261 -3.008 -0.511 1.00 0.00 N ATOM 1049 CA ILE A 64 -0.547 -4.279 -0.525 1.00 0.00 C ATOM 1050 C ILE A 64 -0.799 -5.047 0.769 1.00 0.00 C ATOM 1051 O ILE A 64 -0.917 -6.272 0.764 1.00 0.00 O ATOM 1052 CB ILE A 64 0.956 -4.035 -0.692 1.00 0.00 C ATOM 1053 CG1 ILE A 64 1.210 -3.294 -2.007 1.00 0.00 C ATOM 1054 CG2 ILE A 64 1.693 -5.375 -0.717 1.00 0.00 C ATOM 1055 CD1 ILE A 64 2.711 -3.279 -2.304 1.00 0.00 C ATOM 0 H ILE A 64 -0.669 -2.186 -0.626 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.913 -4.871 -1.364 1.00 0.00 H new ATOM 0 HB ILE A 64 1.319 -3.435 0.142 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.673 -3.781 -2.821 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.832 -2.274 -1.941 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.762 -5.200 -0.836 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.514 -5.906 0.218 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.329 -5.975 -1.551 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.891 -2.751 -3.241 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.237 -2.772 -1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.075 -4.303 -2.389 1.00 0.00 H new ATOM 1067 N VAL A 65 -0.878 -4.316 1.877 1.00 0.00 N ATOM 1068 CA VAL A 65 -1.111 -4.932 3.179 1.00 0.00 C ATOM 1069 C VAL A 65 -2.543 -5.450 3.297 1.00 0.00 C ATOM 1070 O VAL A 65 -2.802 -6.434 3.989 1.00 0.00 O ATOM 1071 CB VAL A 65 -0.848 -3.912 4.288 1.00 0.00 C ATOM 1072 CG1 VAL A 65 -1.355 -4.463 5.623 1.00 0.00 C ATOM 1073 CG2 VAL A 65 0.655 -3.642 4.385 1.00 0.00 C ATOM 0 H VAL A 65 -0.785 -3.301 1.900 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.429 -5.776 3.280 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.371 -2.984 4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.167 -3.735 6.412 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.426 -4.655 5.554 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.834 -5.392 5.855 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.844 -2.915 5.175 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.177 -4.571 4.614 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.016 -3.247 3.435 1.00 0.00 H new ATOM 1083 N ALA A 66 -3.472 -4.773 2.630 1.00 0.00 N ATOM 1084 CA ALA A 66 -4.878 -5.165 2.682 1.00 0.00 C ATOM 1085 C ALA A 66 -5.128 -6.454 1.903 1.00 0.00 C ATOM 1086 O ALA A 66 -5.861 -7.332 2.360 1.00 0.00 O ATOM 1087 CB ALA A 66 -5.750 -4.047 2.111 1.00 0.00 C ATOM 0 H ALA A 66 -3.280 -3.956 2.051 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.137 -5.342 3.726 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.798 -4.345 2.153 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.608 -3.139 2.697 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.467 -3.858 1.075 1.00 0.00 H new ATOM 1093 N ILE A 67 -4.532 -6.559 0.720 1.00 0.00 N ATOM 1094 CA ILE A 67 -4.716 -7.744 -0.111 1.00 0.00 C ATOM 1095 C ILE A 67 -4.138 -8.986 0.564 1.00 0.00 C ATOM 1096 O ILE A 67 -4.727 -10.065 0.503 1.00 0.00 O ATOM 1097 CB ILE A 67 -4.053 -7.536 -1.476 1.00 0.00 C ATOM 1098 CG1 ILE A 67 -4.815 -8.335 -2.537 1.00 0.00 C ATOM 1099 CG2 ILE A 67 -2.601 -8.014 -1.423 1.00 0.00 C ATOM 1100 CD1 ILE A 67 -4.287 -7.973 -3.927 1.00 0.00 C ATOM 0 H ILE A 67 -3.923 -5.846 0.318 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.786 -7.898 -0.248 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.074 -6.476 -1.730 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.695 -9.404 -2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.881 -8.119 -2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.133 -7.864 -2.396 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.058 -7.446 -0.668 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.576 -9.073 -1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.830 -8.542 -4.682 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.430 -6.907 -4.104 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.225 -8.212 -3.986 1.00 0.00 H new ATOM 1112 N LEU A 68 -2.983 -8.831 1.204 1.00 0.00 N ATOM 1113 CA LEU A 68 -2.340 -9.954 1.880 1.00 0.00 C ATOM 1114 C LEU A 68 -3.177 -10.422 3.069 1.00 0.00 C ATOM 1115 O LEU A 68 -3.405 -11.619 3.245 1.00 0.00 O ATOM 1116 CB LEU A 68 -0.944 -9.544 2.358 1.00 0.00 C ATOM 1117 CG LEU A 68 0.116 -10.345 1.596 1.00 0.00 C ATOM 1118 CD1 LEU A 68 1.512 -9.878 2.014 1.00 0.00 C ATOM 1119 CD2 LEU A 68 -0.041 -11.834 1.917 1.00 0.00 C ATOM 0 H LEU A 68 -2.477 -7.948 1.269 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.253 -10.778 1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.793 -8.477 2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.849 -9.722 3.429 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.013 -10.187 0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.265 -10.449 1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.625 -8.818 1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.642 -10.033 3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.713 -12.405 1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.086 -11.991 2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.034 -12.168 1.617 1.00 0.00 H new ATOM 1131 N VAL A 69 -3.634 -9.474 3.881 1.00 0.00 N ATOM 1132 CA VAL A 69 -4.449 -9.809 5.046 1.00 0.00 C ATOM 1133 C VAL A 69 -5.750 -10.477 4.613 1.00 0.00 C ATOM 1134 O VAL A 69 -6.221 -11.416 5.256 1.00 0.00 O ATOM 1135 CB VAL A 69 -4.765 -8.548 5.851 1.00 0.00 C ATOM 1136 CG1 VAL A 69 -5.869 -8.854 6.866 1.00 0.00 C ATOM 1137 CG2 VAL A 69 -3.509 -8.084 6.594 1.00 0.00 C ATOM 0 H VAL A 69 -3.457 -8.477 3.757 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.885 -10.502 5.670 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.098 -7.762 5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.095 -7.955 7.440 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.765 -9.183 6.340 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.534 -9.641 7.541 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.736 -7.185 7.167 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.175 -8.871 7.270 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.720 -7.865 5.874 1.00 0.00 H new ATOM 1147 N SER A 70 -6.323 -9.987 3.519 1.00 0.00 N ATOM 1148 CA SER A 70 -7.570 -10.542 3.004 1.00 0.00 C ATOM 1149 C SER A 70 -7.323 -11.930 2.432 1.00 0.00 C ATOM 1150 O SER A 70 -8.046 -12.879 2.737 1.00 0.00 O ATOM 1151 CB SER A 70 -8.138 -9.630 1.916 1.00 0.00 C ATOM 1152 OG SER A 70 -7.227 -9.578 0.825 1.00 0.00 O ATOM 0 H SER A 70 -5.947 -9.211 2.974 1.00 0.00 H new ATOM 0 HA SER A 70 -8.288 -10.614 3.821 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.105 -10.004 1.580 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.304 -8.629 2.314 1.00 0.00 H new ATOM 0 HG SER A 70 -6.310 -9.532 1.167 1.00 0.00 H new ATOM 1158 N THR A 71 -6.284 -12.041 1.614 1.00 0.00 N ATOM 1159 CA THR A 71 -5.930 -13.318 1.016 1.00 0.00 C ATOM 1160 C THR A 71 -5.551 -14.307 2.110 1.00 0.00 C ATOM 1161 O THR A 71 -5.760 -15.513 1.974 1.00 0.00 O ATOM 1162 CB THR A 71 -4.754 -13.139 0.052 1.00 0.00 C ATOM 1163 OG1 THR A 71 -5.056 -12.104 -0.873 1.00 0.00 O ATOM 1164 CG2 THR A 71 -4.506 -14.446 -0.702 1.00 0.00 C ATOM 0 H THR A 71 -5.676 -11.265 1.352 1.00 0.00 H new ATOM 0 HA THR A 71 -6.787 -13.701 0.462 1.00 0.00 H new ATOM 0 HB THR A 71 -3.859 -12.873 0.615 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.626 -11.272 -0.584 1.00 0.00 H new ATOM 0 HG21 THR A 71 -3.669 -14.317 -1.388 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.274 -15.238 0.010 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.399 -14.716 -1.266 1.00 0.00 H new ATOM 1172 N VAL A 72 -4.992 -13.783 3.197 1.00 0.00 N ATOM 1173 CA VAL A 72 -4.587 -14.625 4.317 1.00 0.00 C ATOM 1174 C VAL A 72 -5.809 -15.080 5.103 1.00 0.00 C ATOM 1175 O VAL A 72 -5.977 -16.267 5.382 1.00 0.00 O ATOM 1176 CB VAL A 72 -3.642 -13.857 5.243 1.00 0.00 C ATOM 1177 CG1 VAL A 72 -3.352 -14.697 6.488 1.00 0.00 C ATOM 1178 CG2 VAL A 72 -2.332 -13.567 4.508 1.00 0.00 C ATOM 0 H VAL A 72 -4.810 -12.788 3.326 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.069 -15.499 3.921 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.109 -12.918 5.539 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.679 -14.150 7.148 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.285 -14.904 7.013 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.886 -15.637 6.192 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.658 -13.020 5.167 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.866 -14.506 4.211 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.537 -12.968 3.621 1.00 0.00 H new ATOM 1188 N LYS A 73 -6.666 -14.127 5.447 1.00 0.00 N ATOM 1189 CA LYS A 73 -7.878 -14.436 6.191 1.00 0.00 C ATOM 1190 C LYS A 73 -8.805 -15.293 5.339 1.00 0.00 C ATOM 1191 O LYS A 73 -9.581 -16.095 5.857 1.00 0.00 O ATOM 1192 CB LYS A 73 -8.593 -13.143 6.588 1.00 0.00 C ATOM 1193 CG LYS A 73 -7.856 -12.492 7.760 1.00 0.00 C ATOM 1194 CD LYS A 73 -8.647 -12.717 9.049 1.00 0.00 C ATOM 1195 CE LYS A 73 -9.920 -11.870 9.022 1.00 0.00 C ATOM 1196 NZ LYS A 73 -11.095 -12.745 8.748 1.00 0.00 N ATOM 0 H LYS A 73 -6.545 -13.139 5.224 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.608 -14.986 7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.627 -12.459 5.740 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.625 -13.356 6.867 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.857 -12.916 7.856 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.733 -11.424 7.578 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.902 -13.772 9.152 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.038 -12.450 9.913 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.049 -11.358 9.976 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.840 -11.100 8.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.430 -12.582 7.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.818 -13.742 8.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.858 -12.522 9.419 1.00 0.00 H new ATOM 1210 N SER A 74 -8.716 -15.110 4.024 1.00 0.00 N ATOM 1211 CA SER A 74 -9.552 -15.867 3.098 1.00 0.00 C ATOM 1212 C SER A 74 -9.181 -17.349 3.117 1.00 0.00 C ATOM 1213 O SER A 74 -10.053 -18.216 3.072 1.00 0.00 O ATOM 1214 CB SER A 74 -9.386 -15.319 1.681 1.00 0.00 C ATOM 1215 OG SER A 74 -10.394 -14.350 1.430 1.00 0.00 O ATOM 0 H SER A 74 -8.079 -14.450 3.579 1.00 0.00 H new ATOM 0 HA SER A 74 -10.590 -15.763 3.413 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.399 -14.872 1.565 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.456 -16.129 0.955 1.00 0.00 H new ATOM 0 HG SER A 74 -10.093 -13.474 1.751 1.00 0.00 H new ATOM 1471 N VAL A 89 -18.545 -10.559 -12.525 1.00 0.00 N ATOM 1472 CA VAL A 89 -18.841 -11.239 -13.779 1.00 0.00 C ATOM 1473 C VAL A 89 -18.767 -10.262 -14.950 1.00 0.00 C ATOM 1474 O VAL A 89 -18.202 -10.576 -15.997 1.00 0.00 O ATOM 1475 CB VAL A 89 -20.234 -11.863 -13.718 1.00 0.00 C ATOM 1476 CG1 VAL A 89 -21.262 -10.785 -13.373 1.00 0.00 C ATOM 1477 CG2 VAL A 89 -20.576 -12.477 -15.078 1.00 0.00 C ATOM 0 HA VAL A 89 -18.099 -12.023 -13.929 1.00 0.00 H new ATOM 0 HB VAL A 89 -20.252 -12.639 -12.953 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -22.256 -11.231 -13.330 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -21.018 -10.346 -12.405 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -21.246 -10.009 -14.138 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -21.570 -12.923 -15.036 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -20.558 -11.700 -15.843 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -19.844 -13.246 -15.325 1.00 0.00 H new ATOM 1487 N GLU A 90 -19.340 -9.076 -14.763 1.00 0.00 N ATOM 1488 CA GLU A 90 -19.331 -8.060 -15.811 1.00 0.00 C ATOM 1489 C GLU A 90 -17.898 -7.686 -16.176 1.00 0.00 C ATOM 1490 O GLU A 90 -17.597 -7.404 -17.336 1.00 0.00 O ATOM 1491 CB GLU A 90 -20.079 -6.812 -15.337 1.00 0.00 C ATOM 1492 CG GLU A 90 -21.586 -7.007 -15.519 1.00 0.00 C ATOM 1493 CD GLU A 90 -22.289 -5.655 -15.511 1.00 0.00 C ATOM 1494 OE1 GLU A 90 -21.754 -4.728 -16.096 1.00 0.00 O ATOM 1495 OE2 GLU A 90 -23.354 -5.566 -14.922 1.00 0.00 O ATOM 0 H GLU A 90 -19.812 -8.796 -13.903 1.00 0.00 H new ATOM 0 HA GLU A 90 -19.828 -8.467 -16.692 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -19.853 -6.618 -14.289 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -19.745 -5.941 -15.901 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -21.784 -7.524 -16.458 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -21.979 -7.636 -14.720 1.00 0.00 H new ATOM 1502 N ASP A 91 -17.020 -7.687 -15.179 1.00 0.00 N ATOM 1503 CA ASP A 91 -15.620 -7.347 -15.404 1.00 0.00 C ATOM 1504 C ASP A 91 -14.902 -8.487 -16.120 1.00 0.00 C ATOM 1505 O ASP A 91 -13.892 -8.274 -16.792 1.00 0.00 O ATOM 1506 CB ASP A 91 -14.933 -7.064 -14.065 1.00 0.00 C ATOM 1507 CG ASP A 91 -14.500 -5.603 -13.994 1.00 0.00 C ATOM 1508 OD1 ASP A 91 -15.356 -4.745 -14.128 1.00 0.00 O ATOM 1509 OD2 ASP A 91 -13.318 -5.365 -13.807 1.00 0.00 O ATOM 0 H ASP A 91 -17.251 -7.918 -14.213 1.00 0.00 H new ATOM 0 HA ASP A 91 -15.574 -6.456 -16.030 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -15.613 -7.290 -13.244 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.066 -7.714 -13.948 1.00 0.00 H new ATOM 1514 N TRP A 92 -15.430 -9.698 -15.970 1.00 0.00 N ATOM 1515 CA TRP A 92 -14.834 -10.868 -16.603 1.00 0.00 C ATOM 1516 C TRP A 92 -15.171 -10.903 -18.092 1.00 0.00 C ATOM 1517 O TRP A 92 -14.313 -11.191 -18.926 1.00 0.00 O ATOM 1518 CB TRP A 92 -15.344 -12.145 -15.925 1.00 0.00 C ATOM 1519 CG TRP A 92 -15.333 -13.277 -16.904 1.00 0.00 C ATOM 1520 CD1 TRP A 92 -14.240 -13.997 -17.246 1.00 0.00 C ATOM 1521 CD2 TRP A 92 -16.442 -13.826 -17.673 1.00 0.00 C ATOM 1522 NE1 TRP A 92 -14.607 -14.952 -18.176 1.00 0.00 N ATOM 1523 CE2 TRP A 92 -15.955 -14.888 -18.471 1.00 0.00 C ATOM 1524 CE3 TRP A 92 -17.810 -13.509 -17.755 1.00 0.00 C ATOM 1525 CZ2 TRP A 92 -16.794 -15.609 -19.321 1.00 0.00 C ATOM 1526 CZ3 TRP A 92 -18.658 -14.234 -18.609 1.00 0.00 C ATOM 1527 CH2 TRP A 92 -18.150 -15.281 -19.390 1.00 0.00 C ATOM 0 H TRP A 92 -16.265 -9.894 -15.418 1.00 0.00 H new ATOM 0 HA TRP A 92 -13.751 -10.808 -16.492 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -14.717 -12.388 -15.067 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -16.354 -11.989 -15.547 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -13.244 -13.850 -16.856 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -13.961 -15.622 -18.593 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -18.211 -12.703 -17.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -16.398 -16.415 -19.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -19.707 -13.983 -18.664 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -18.807 -15.834 -20.045 1.00 0.00 H new ATOM 1538 N GLN A 93 -16.427 -10.612 -18.419 1.00 0.00 N ATOM 1539 CA GLN A 93 -16.864 -10.619 -19.810 1.00 0.00 C ATOM 1540 C GLN A 93 -15.932 -9.765 -20.662 1.00 0.00 C ATOM 1541 O GLN A 93 -15.819 -9.967 -21.871 1.00 0.00 O ATOM 1542 CB GLN A 93 -18.294 -10.078 -19.911 1.00 0.00 C ATOM 1543 CG GLN A 93 -19.250 -11.210 -20.298 1.00 0.00 C ATOM 1544 CD GLN A 93 -20.671 -10.867 -19.862 1.00 0.00 C ATOM 1545 OE1 GLN A 93 -20.872 -10.278 -18.800 1.00 0.00 O ATOM 1546 NE2 GLN A 93 -21.677 -11.204 -20.624 1.00 0.00 N ATOM 0 H GLN A 93 -17.154 -10.370 -17.746 1.00 0.00 H new ATOM 0 HA GLN A 93 -16.839 -11.645 -20.178 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -18.597 -9.644 -18.958 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -18.340 -9.281 -20.653 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -19.220 -11.369 -21.376 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -18.932 -12.141 -19.829 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -21.509 -11.692 -21.504 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -22.630 -10.979 -20.339 1.00 0.00 H new ATOM 1555 N GLU A 94 -15.263 -8.815 -20.020 1.00 0.00 N ATOM 1556 CA GLU A 94 -14.337 -7.938 -20.726 1.00 0.00 C ATOM 1557 C GLU A 94 -13.040 -8.677 -21.036 1.00 0.00 C ATOM 1558 O GLU A 94 -12.531 -8.617 -22.154 1.00 0.00 O ATOM 1559 CB GLU A 94 -14.034 -6.703 -19.876 1.00 0.00 C ATOM 1560 CG GLU A 94 -13.373 -5.630 -20.745 1.00 0.00 C ATOM 1561 CD GLU A 94 -14.233 -4.370 -20.763 1.00 0.00 C ATOM 1562 OE1 GLU A 94 -14.776 -4.033 -19.724 1.00 0.00 O ATOM 1563 OE2 GLU A 94 -14.335 -3.760 -21.814 1.00 0.00 O ATOM 0 H GLU A 94 -15.343 -8.633 -19.020 1.00 0.00 H new ATOM 0 HA GLU A 94 -14.800 -7.626 -21.662 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -14.954 -6.315 -19.439 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -13.377 -6.971 -19.049 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -12.381 -5.397 -20.358 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -13.240 -6.004 -21.760 1.00 0.00 H new ATOM 1570 N LYS A 95 -12.514 -9.377 -20.035 1.00 0.00 N ATOM 1571 CA LYS A 95 -11.278 -10.129 -20.208 1.00 0.00 C ATOM 1572 C LYS A 95 -11.535 -11.403 -21.006 1.00 0.00 C ATOM 1573 O LYS A 95 -10.630 -11.944 -21.639 1.00 0.00 O ATOM 1574 CB LYS A 95 -10.689 -10.490 -18.842 1.00 0.00 C ATOM 1575 CG LYS A 95 -9.707 -11.652 -19.001 1.00 0.00 C ATOM 1576 CD LYS A 95 -8.835 -11.760 -17.749 1.00 0.00 C ATOM 1577 CE LYS A 95 -9.690 -12.232 -16.571 1.00 0.00 C ATOM 1578 NZ LYS A 95 -8.806 -12.785 -15.507 1.00 0.00 N ATOM 0 H LYS A 95 -12.922 -9.438 -19.102 1.00 0.00 H new ATOM 0 HA LYS A 95 -10.570 -9.507 -20.755 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.181 -9.626 -18.414 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -11.486 -10.765 -18.152 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.252 -12.583 -19.159 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -9.082 -11.496 -19.880 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -8.017 -12.459 -17.922 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -8.385 -10.794 -17.522 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.276 -11.402 -16.177 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.397 -12.992 -16.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -9.386 -13.106 -14.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -8.266 -13.588 -15.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -8.148 -12.047 -15.184 1.00 0.00 H new ATOM 1592 N TYR A 96 -12.777 -11.878 -20.970 1.00 0.00 N ATOM 1593 CA TYR A 96 -13.140 -13.091 -21.694 1.00 0.00 C ATOM 1594 C TYR A 96 -12.865 -12.924 -23.186 1.00 0.00 C ATOM 1595 O TYR A 96 -12.277 -13.799 -23.822 1.00 0.00 O ATOM 1596 CB TYR A 96 -14.622 -13.406 -21.473 1.00 0.00 C ATOM 1597 CG TYR A 96 -15.150 -14.213 -22.635 1.00 0.00 C ATOM 1598 CD1 TYR A 96 -14.922 -15.593 -22.689 1.00 0.00 C ATOM 1599 CD2 TYR A 96 -15.864 -13.581 -23.659 1.00 0.00 C ATOM 1600 CE1 TYR A 96 -15.410 -16.341 -23.767 1.00 0.00 C ATOM 1601 CE2 TYR A 96 -16.352 -14.329 -24.737 1.00 0.00 C ATOM 1602 CZ TYR A 96 -16.124 -15.710 -24.791 1.00 0.00 C ATOM 1603 OH TYR A 96 -16.605 -16.446 -25.854 1.00 0.00 O ATOM 0 H TYR A 96 -13.542 -11.446 -20.452 1.00 0.00 H new ATOM 0 HA TYR A 96 -12.536 -13.916 -21.316 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -14.751 -13.961 -20.544 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -15.189 -12.481 -21.373 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -14.370 -16.081 -21.899 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -16.039 -12.516 -23.618 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -15.235 -17.406 -23.808 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -16.904 -13.841 -25.527 1.00 0.00 H new ATOM 0 HH TYR A 96 -17.078 -15.853 -26.475 1.00 0.00 H new ATOM 1613 N LYS A 97 -13.302 -11.797 -23.736 1.00 0.00 N ATOM 1614 CA LYS A 97 -13.107 -11.518 -25.155 1.00 0.00 C ATOM 1615 C LYS A 97 -11.631 -11.612 -25.533 1.00 0.00 C ATOM 1616 O LYS A 97 -11.291 -11.995 -26.652 1.00 0.00 O ATOM 1617 CB LYS A 97 -13.631 -10.118 -25.476 1.00 0.00 C ATOM 1618 CG LYS A 97 -13.580 -9.883 -26.986 1.00 0.00 C ATOM 1619 CD LYS A 97 -14.691 -8.909 -27.386 1.00 0.00 C ATOM 1620 CE LYS A 97 -14.306 -8.201 -28.686 1.00 0.00 C ATOM 1621 NZ LYS A 97 -13.232 -8.973 -29.372 1.00 0.00 N ATOM 0 H LYS A 97 -13.792 -11.064 -23.224 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.657 -12.261 -25.732 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.654 -10.011 -25.116 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -13.031 -9.368 -24.961 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -12.608 -9.480 -27.270 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -13.701 -10.827 -27.517 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -15.630 -9.446 -27.517 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -14.850 -8.177 -26.594 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -15.177 -8.112 -29.336 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.962 -7.189 -28.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.146 -8.648 -30.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -12.329 -8.825 -28.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -13.471 -9.985 -29.361 1.00 0.00 H new ATOM 1635 N SER A 98 -10.759 -11.250 -24.598 1.00 0.00 N ATOM 1636 CA SER A 98 -9.321 -11.288 -24.848 1.00 0.00 C ATOM 1637 C SER A 98 -8.796 -12.722 -24.847 1.00 0.00 C ATOM 1638 O SER A 98 -7.933 -13.075 -25.652 1.00 0.00 O ATOM 1639 CB SER A 98 -8.590 -10.479 -23.776 1.00 0.00 C ATOM 1640 OG SER A 98 -7.211 -10.395 -24.112 1.00 0.00 O ATOM 0 H SER A 98 -11.020 -10.929 -23.666 1.00 0.00 H new ATOM 0 HA SER A 98 -9.137 -10.855 -25.831 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.020 -9.480 -23.701 1.00 0.00 H new ATOM 0 HB3 SER A 98 -8.711 -10.952 -22.801 1.00 0.00 H new ATOM 0 HG SER A 98 -6.739 -9.876 -23.428 1.00 0.00 H new ATOM 1646 N GLN A 99 -9.305 -13.539 -23.931 1.00 0.00 N ATOM 1647 CA GLN A 99 -8.865 -14.928 -23.825 1.00 0.00 C ATOM 1648 C GLN A 99 -9.151 -15.703 -25.110 1.00 0.00 C ATOM 1649 O GLN A 99 -8.284 -16.412 -25.622 1.00 0.00 O ATOM 1650 CB GLN A 99 -9.572 -15.609 -22.650 1.00 0.00 C ATOM 1651 CG GLN A 99 -8.534 -16.206 -21.697 1.00 0.00 C ATOM 1652 CD GLN A 99 -7.711 -17.270 -22.418 1.00 0.00 C ATOM 1653 OE1 GLN A 99 -8.271 -18.162 -23.056 1.00 0.00 O ATOM 1654 NE2 GLN A 99 -6.409 -17.227 -22.354 1.00 0.00 N ATOM 0 H GLN A 99 -10.018 -13.267 -23.254 1.00 0.00 H new ATOM 0 HA GLN A 99 -7.788 -14.927 -23.659 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -10.194 -14.887 -22.120 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -10.235 -16.392 -23.017 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -7.878 -15.420 -21.322 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -9.032 -16.645 -20.832 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.949 -16.487 -21.825 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -5.851 -17.934 -22.833 1.00 0.00 H new ATOM 1663 N ILE A 100 -10.371 -15.576 -25.622 1.00 0.00 N ATOM 1664 CA ILE A 100 -10.750 -16.285 -26.841 1.00 0.00 C ATOM 1665 C ILE A 100 -10.005 -15.728 -28.049 1.00 0.00 C ATOM 1666 O ILE A 100 -9.631 -16.473 -28.955 1.00 0.00 O ATOM 1667 CB ILE A 100 -12.260 -16.169 -27.069 1.00 0.00 C ATOM 1668 CG1 ILE A 100 -12.719 -14.744 -26.744 1.00 0.00 C ATOM 1669 CG2 ILE A 100 -12.990 -17.160 -26.160 1.00 0.00 C ATOM 1670 CD1 ILE A 100 -13.489 -14.172 -27.937 1.00 0.00 C ATOM 0 H ILE A 100 -11.107 -14.996 -25.218 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.481 -17.334 -26.721 1.00 0.00 H new ATOM 0 HB ILE A 100 -12.488 -16.395 -28.111 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -13.352 -14.748 -25.857 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -11.858 -14.115 -26.518 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -14.065 -17.078 -26.322 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -12.664 -18.174 -26.392 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -12.761 -16.935 -25.118 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -13.816 -13.158 -27.707 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -12.841 -14.154 -28.813 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -14.359 -14.796 -28.142 1.00 0.00 H new ATOM 1682 N LEU A 101 -9.793 -14.417 -28.058 1.00 0.00 N ATOM 1683 CA LEU A 101 -9.092 -13.777 -29.166 1.00 0.00 C ATOM 1684 C LEU A 101 -7.715 -14.403 -29.370 1.00 0.00 C ATOM 1685 O LEU A 101 -7.267 -14.582 -30.502 1.00 0.00 O ATOM 1686 CB LEU A 101 -8.937 -12.280 -28.891 1.00 0.00 C ATOM 1687 CG LEU A 101 -9.153 -11.500 -30.189 1.00 0.00 C ATOM 1688 CD1 LEU A 101 -10.646 -11.228 -30.380 1.00 0.00 C ATOM 1689 CD2 LEU A 101 -8.398 -10.171 -30.113 1.00 0.00 C ATOM 0 H LEU A 101 -10.093 -13.781 -27.319 1.00 0.00 H new ATOM 0 HA LEU A 101 -9.680 -13.923 -30.072 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -9.657 -11.961 -28.138 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.945 -12.073 -28.490 1.00 0.00 H new ATOM 0 HG LEU A 101 -8.781 -12.084 -31.031 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -10.799 -10.672 -31.305 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -11.185 -12.174 -30.432 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -11.020 -10.643 -29.539 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -8.550 -9.613 -31.037 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.771 -9.588 -29.271 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.334 -10.364 -29.977 1.00 0.00 H new ATOM 1701 N ASN A 102 -7.048 -14.730 -28.268 1.00 0.00 N ATOM 1702 CA ASN A 102 -5.720 -15.333 -28.343 1.00 0.00 C ATOM 1703 C ASN A 102 -5.813 -16.783 -28.811 1.00 0.00 C ATOM 1704 O ASN A 102 -4.982 -17.249 -29.590 1.00 0.00 O ATOM 1705 CB ASN A 102 -5.047 -15.279 -26.969 1.00 0.00 C ATOM 1706 CG ASN A 102 -4.941 -13.832 -26.499 1.00 0.00 C ATOM 1707 OD1 ASN A 102 -5.455 -13.486 -25.434 1.00 0.00 O ATOM 1708 ND2 ASN A 102 -4.303 -12.962 -27.231 1.00 0.00 N ATOM 0 H ASN A 102 -7.400 -14.590 -27.321 1.00 0.00 H new ATOM 0 HA ASN A 102 -5.125 -14.771 -29.063 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -5.622 -15.863 -26.250 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -4.055 -15.727 -27.023 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -4.229 -11.993 -26.922 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -3.878 -13.251 -28.112 1.00 0.00 H new ATOM 1715 N LEU A 103 -6.828 -17.490 -28.327 1.00 0.00 N ATOM 1716 CA LEU A 103 -7.025 -18.888 -28.696 1.00 0.00 C ATOM 1717 C LEU A 103 -7.088 -19.047 -30.215 1.00 0.00 C ATOM 1718 O LEU A 103 -6.591 -20.028 -30.765 1.00 0.00 O ATOM 1719 CB LEU A 103 -8.324 -19.408 -28.074 1.00 0.00 C ATOM 1720 CG LEU A 103 -8.047 -20.697 -27.298 1.00 0.00 C ATOM 1721 CD1 LEU A 103 -9.317 -21.131 -26.562 1.00 0.00 C ATOM 1722 CD2 LEU A 103 -7.623 -21.798 -28.272 1.00 0.00 C ATOM 0 H LEU A 103 -7.525 -17.120 -27.681 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.179 -19.465 -28.321 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -8.746 -18.655 -27.408 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.063 -19.594 -28.854 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.249 -20.522 -26.577 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.121 -22.049 -26.009 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.621 -20.347 -25.868 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -10.114 -21.306 -27.284 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.426 -22.716 -27.719 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.421 -21.973 -28.993 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.720 -21.490 -28.798 1.00 0.00 H new ATOM 1734 N GLU A 104 -7.710 -18.081 -30.882 1.00 0.00 N ATOM 1735 CA GLU A 104 -7.843 -18.129 -32.335 1.00 0.00 C ATOM 1736 C GLU A 104 -6.488 -17.962 -33.020 1.00 0.00 C ATOM 1737 O GLU A 104 -6.218 -18.597 -34.039 1.00 0.00 O ATOM 1738 CB GLU A 104 -8.789 -17.024 -32.807 1.00 0.00 C ATOM 1739 CG GLU A 104 -10.232 -17.527 -32.744 1.00 0.00 C ATOM 1740 CD GLU A 104 -10.668 -18.030 -34.114 1.00 0.00 C ATOM 1741 OE1 GLU A 104 -10.924 -17.202 -34.974 1.00 0.00 O ATOM 1742 OE2 GLU A 104 -10.740 -19.236 -34.286 1.00 0.00 O ATOM 0 H GLU A 104 -8.128 -17.260 -30.444 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.249 -19.104 -32.604 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.673 -16.139 -32.181 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.540 -16.728 -33.826 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.315 -18.328 -32.010 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.892 -16.724 -32.415 1.00 0.00 H new ATOM 1749 N GLU A 105 -5.645 -17.100 -32.463 1.00 0.00 N ATOM 1750 CA GLU A 105 -4.327 -16.855 -33.039 1.00 0.00 C ATOM 1751 C GLU A 105 -3.393 -18.040 -32.804 1.00 0.00 C ATOM 1752 O GLU A 105 -2.527 -18.333 -33.628 1.00 0.00 O ATOM 1753 CB GLU A 105 -3.716 -15.594 -32.423 1.00 0.00 C ATOM 1754 CG GLU A 105 -2.343 -15.330 -33.047 1.00 0.00 C ATOM 1755 CD GLU A 105 -1.249 -15.524 -32.002 1.00 0.00 C ATOM 1756 OE1 GLU A 105 -1.390 -14.979 -30.919 1.00 0.00 O ATOM 1757 OE2 GLU A 105 -0.288 -16.214 -32.300 1.00 0.00 O ATOM 0 H GLU A 105 -5.848 -16.563 -31.620 1.00 0.00 H new ATOM 0 HA GLU A 105 -4.448 -16.719 -34.114 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -4.373 -14.740 -32.591 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -3.619 -15.715 -31.344 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.180 -16.006 -33.886 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.303 -14.315 -33.443 1.00 0.00 H new ATOM 1764 N SER A 106 -3.570 -18.712 -31.672 1.00 0.00 N ATOM 1765 CA SER A 106 -2.731 -19.858 -31.333 1.00 0.00 C ATOM 1766 C SER A 106 -2.689 -20.872 -32.474 1.00 0.00 C ATOM 1767 O SER A 106 -1.622 -21.363 -32.841 1.00 0.00 O ATOM 1768 CB SER A 106 -3.264 -20.535 -30.071 1.00 0.00 C ATOM 1769 OG SER A 106 -2.766 -21.864 -30.004 1.00 0.00 O ATOM 0 H SER A 106 -4.282 -18.486 -30.977 1.00 0.00 H new ATOM 0 HA SER A 106 -1.718 -19.494 -31.160 1.00 0.00 H new ATOM 0 HB2 SER A 106 -2.958 -19.975 -29.187 1.00 0.00 H new ATOM 0 HB3 SER A 106 -4.354 -20.543 -30.082 1.00 0.00 H new ATOM 0 HG SER A 106 -3.105 -22.300 -29.195 1.00 0.00 H new ATOM 1775 N LYS A 107 -3.857 -21.192 -33.023 1.00 0.00 N ATOM 1776 CA LYS A 107 -3.940 -22.160 -34.114 1.00 0.00 C ATOM 1777 C LYS A 107 -3.024 -21.769 -35.273 1.00 0.00 C ATOM 1778 O LYS A 107 -2.445 -22.631 -35.933 1.00 0.00 O ATOM 1779 CB LYS A 107 -5.385 -22.267 -34.609 1.00 0.00 C ATOM 1780 CG LYS A 107 -5.788 -20.967 -35.306 1.00 0.00 C ATOM 1781 CD LYS A 107 -5.789 -21.177 -36.823 1.00 0.00 C ATOM 1782 CE LYS A 107 -7.153 -21.707 -37.266 1.00 0.00 C ATOM 1783 NZ LYS A 107 -7.080 -22.132 -38.692 1.00 0.00 N ATOM 0 H LYS A 107 -4.753 -20.799 -32.734 1.00 0.00 H new ATOM 0 HA LYS A 107 -3.612 -23.127 -33.732 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -5.482 -23.106 -35.298 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -6.053 -22.464 -33.771 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -6.777 -20.654 -34.971 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -5.095 -20.169 -35.039 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -5.570 -20.238 -37.331 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -5.005 -21.881 -37.103 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -7.450 -22.548 -36.639 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -7.913 -20.935 -37.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -8.007 -22.493 -38.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -6.815 -21.319 -39.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -6.367 -22.882 -38.795 1.00 0.00 H new ATOM 1797 N ALA A 108 -2.902 -20.469 -35.521 1.00 0.00 N ATOM 1798 CA ALA A 108 -2.059 -19.984 -36.609 1.00 0.00 C ATOM 1799 C ALA A 108 -0.580 -20.151 -36.273 1.00 0.00 C ATOM 1800 O ALA A 108 0.244 -20.392 -37.155 1.00 0.00 O ATOM 1801 CB ALA A 108 -2.359 -18.508 -36.881 1.00 0.00 C ATOM 0 H ALA A 108 -3.372 -19.737 -34.988 1.00 0.00 H new ATOM 0 HA ALA A 108 -2.280 -20.574 -37.499 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -1.726 -18.152 -37.694 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -3.407 -18.395 -37.160 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -2.158 -17.924 -35.983 1.00 0.00 H new ATOM 1807 N THR A 109 -0.248 -20.010 -34.994 1.00 0.00 N ATOM 1808 CA THR A 109 1.139 -20.136 -34.551 1.00 0.00 C ATOM 1809 C THR A 109 1.696 -21.524 -34.861 1.00 0.00 C ATOM 1810 O THR A 109 2.809 -21.655 -35.370 1.00 0.00 O ATOM 1811 CB THR A 109 1.229 -19.875 -33.046 1.00 0.00 C ATOM 1812 OG1 THR A 109 0.994 -18.497 -32.792 1.00 0.00 O ATOM 1813 CG2 THR A 109 2.621 -20.261 -32.542 1.00 0.00 C ATOM 0 H THR A 109 -0.915 -19.810 -34.249 1.00 0.00 H new ATOM 0 HA THR A 109 1.733 -19.399 -35.091 1.00 0.00 H new ATOM 0 HB THR A 109 0.480 -20.473 -32.527 1.00 0.00 H new ATOM 0 HG1 THR A 109 0.032 -18.343 -32.691 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.684 -20.075 -31.470 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.799 -21.318 -32.738 1.00 0.00 H new ATOM 0 HG23 THR A 109 3.373 -19.665 -33.059 1.00 0.00 H new ATOM 1821 N ILE A 110 0.924 -22.557 -34.541 1.00 0.00 N ATOM 1822 CA ILE A 110 1.362 -23.930 -34.780 1.00 0.00 C ATOM 1823 C ILE A 110 1.767 -24.133 -36.238 1.00 0.00 C ATOM 1824 O ILE A 110 2.776 -24.777 -36.526 1.00 0.00 O ATOM 1825 CB ILE A 110 0.236 -24.904 -34.427 1.00 0.00 C ATOM 1826 CG1 ILE A 110 0.219 -25.138 -32.913 1.00 0.00 C ATOM 1827 CG2 ILE A 110 0.467 -26.235 -35.144 1.00 0.00 C ATOM 1828 CD1 ILE A 110 1.303 -26.150 -32.538 1.00 0.00 C ATOM 0 H ILE A 110 -0.001 -22.473 -34.119 1.00 0.00 H new ATOM 0 HA ILE A 110 2.230 -24.122 -34.149 1.00 0.00 H new ATOM 0 HB ILE A 110 -0.719 -24.483 -34.742 1.00 0.00 H new ATOM 0 HG12 ILE A 110 0.388 -24.198 -32.388 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -0.759 -25.506 -32.603 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -0.336 -26.928 -34.892 1.00 0.00 H new ATOM 0 HG22 ILE A 110 0.479 -26.071 -36.221 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.422 -26.656 -34.830 1.00 0.00 H new ATOM 0 HD11 ILE A 110 1.289 -26.315 -31.461 1.00 0.00 H new ATOM 0 HD12 ILE A 110 1.114 -27.092 -33.052 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.279 -25.764 -32.834 1.00 0.00 H new ATOM 1840 N HIS A 111 0.973 -23.588 -37.154 1.00 0.00 N ATOM 1841 CA HIS A 111 1.256 -23.725 -38.579 1.00 0.00 C ATOM 1842 C HIS A 111 2.564 -23.029 -38.950 1.00 0.00 C ATOM 1843 O HIS A 111 3.237 -23.422 -39.904 1.00 0.00 O ATOM 1844 CB HIS A 111 0.110 -23.128 -39.395 1.00 0.00 C ATOM 1845 CG HIS A 111 -1.152 -23.902 -39.126 1.00 0.00 C ATOM 1846 ND1 HIS A 111 -1.367 -24.573 -37.933 1.00 0.00 N ATOM 1847 CD2 HIS A 111 -2.275 -24.118 -39.885 1.00 0.00 C ATOM 1848 CE1 HIS A 111 -2.577 -25.156 -38.006 1.00 0.00 C ATOM 1849 NE2 HIS A 111 -3.174 -24.910 -39.176 1.00 0.00 N ATOM 0 H HIS A 111 0.134 -23.051 -36.938 1.00 0.00 H new ATOM 0 HA HIS A 111 1.355 -24.787 -38.805 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -0.030 -22.080 -39.132 1.00 0.00 H new ATOM 0 HB3 HIS A 111 0.350 -23.161 -40.458 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -2.437 -23.732 -40.881 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -3.013 -25.750 -37.216 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -4.091 -25.233 -39.484 1.00 0.00 H new ATOM 1858 N GLU A 112 2.917 -21.993 -38.197 1.00 0.00 N ATOM 1859 CA GLU A 112 4.143 -21.250 -38.466 1.00 0.00 C ATOM 1860 C GLU A 112 5.367 -22.023 -37.981 1.00 0.00 C ATOM 1861 O GLU A 112 6.484 -21.785 -38.442 1.00 0.00 O ATOM 1862 CB GLU A 112 4.095 -19.888 -37.774 1.00 0.00 C ATOM 1863 CG GLU A 112 5.405 -19.141 -38.029 1.00 0.00 C ATOM 1864 CD GLU A 112 5.113 -17.706 -38.452 1.00 0.00 C ATOM 1865 OE1 GLU A 112 4.117 -17.500 -39.126 1.00 0.00 O ATOM 1866 OE2 GLU A 112 5.888 -16.834 -38.097 1.00 0.00 O ATOM 0 H GLU A 112 2.377 -21.651 -37.402 1.00 0.00 H new ATOM 0 HA GLU A 112 4.222 -21.109 -39.544 1.00 0.00 H new ATOM 0 HB2 GLU A 112 3.253 -19.307 -38.150 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.940 -20.017 -36.703 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.017 -19.146 -37.127 1.00 0.00 H new ATOM 0 HG3 GLU A 112 5.977 -19.648 -38.806 1.00 0.00 H new ATOM 1873 N ASN A 113 5.154 -22.942 -37.046 1.00 0.00 N ATOM 1874 CA ASN A 113 6.255 -23.732 -36.506 1.00 0.00 C ATOM 1875 C ASN A 113 7.035 -24.412 -37.627 1.00 0.00 C ATOM 1876 O ASN A 113 8.266 -24.429 -37.616 1.00 0.00 O ATOM 1877 CB ASN A 113 5.718 -24.792 -35.544 1.00 0.00 C ATOM 1878 CG ASN A 113 6.851 -25.319 -34.672 1.00 0.00 C ATOM 1879 OD1 ASN A 113 8.071 -25.314 -35.135 1.00 0.00 O flip ATOM 1880 ND2 ASN A 113 6.620 -25.746 -33.541 1.00 0.00 N flip ATOM 0 H ASN A 113 4.239 -23.157 -36.649 1.00 0.00 H new ATOM 0 HA ASN A 113 6.925 -23.059 -35.970 1.00 0.00 H new ATOM 0 HB2 ASN A 113 4.934 -24.365 -34.919 1.00 0.00 H new ATOM 0 HB3 ASN A 113 5.268 -25.611 -36.105 1.00 0.00 H new ATOM 0 HD21 ASN A 113 5.665 -25.749 -33.182 1.00 0.00 H new ATOM 0 HD22 ASN A 113 7.383 -26.097 -32.963 1.00 0.00 H new