USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 631 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 40 TYR OH : rot -73:sc= 0.519 USER MOD Set 1.2: A 78 LYS NZ :NH3+ 167:sc= 0.925 (180deg=-0.359) USER MOD Set 2.1: A 45 LYS NZ :NH3+ -176:sc= 1.07 (180deg=-0.0598) USER MOD Set 2.2: A 63 SER OG : rot -69:sc= 1.56 USER MOD Set 3.1: A 31 SER OG : rot 177:sc= 0.828 USER MOD Set 3.2: A 32 THR OG1 : rot 180:sc= 0.0624 USER MOD Set 3.3: A 84 LYS NZ :NH3+ 143:sc= 2.74 (180deg=0.53) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -130:sc= -0.665 USER MOD Single : A 25 MET CE :methyl 132:sc= -0.562 (180deg=-1.91) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0272 USER MOD Single : A 27 THR OG1 : rot 150:sc= 0.233 USER MOD Single : A 28 LYS NZ :NH3+ 160:sc= -2.24! (180deg=-3.69!) USER MOD Single : A 30 THR OG1 : rot -160:sc= -0.026 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -65:sc= 1.31 USER MOD Single : A 41 GLN : amide:sc= -0.114 K(o=-0.11,f=-0.64) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.187 X(o=-0.19,f=-0.68) USER MOD Single : A 51 THR OG1 : rot 18:sc= -1.41! USER MOD Single : A 52 SER OG : rot -170:sc= -0.194 USER MOD Single : A 53 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.101) USER MOD Single : A 54 ASN : amide:sc= -0.0517 K(o=-0.052,f=-0.7) USER MOD Single : A 56 LYS NZ :NH3+ -171:sc= -0.0116 (180deg=-0.119) USER MOD Single : A 58 TYR OH : rot 86:sc= 0.152 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0.258 K(o=0.26,f=-8.7!) USER MOD Single : A 64 MET CE :methyl -174:sc= -1.26 (180deg=-1.41) USER MOD Single : A 67 SER OG : rot -30:sc= 0.179 USER MOD Single : A 68 ASN : amide:sc= -1.84! C(o=-1.8!,f=-7.8!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.12) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 80 SER OG : rot -37:sc= 0.291 USER MOD Single : A 81 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.17) USER MOD Single : A 87 GLN : amide:sc= -0.948 X(o=-0.95,f=-0.54) USER MOD Single : A 88 THR OG1 : rot 101:sc= 0.302 USER MOD ----------------------------------------------------------------- ATOM 220 N TYR A 15 -3.989 -27.979 0.094 1.00 0.00 N ATOM 221 CA TYR A 15 -5.162 -28.101 0.953 1.00 0.00 C ATOM 222 C TYR A 15 -6.360 -28.604 0.142 1.00 0.00 C ATOM 223 O TYR A 15 -6.574 -28.166 -0.990 1.00 0.00 O ATOM 224 CB TYR A 15 -5.499 -26.753 1.609 1.00 0.00 C ATOM 225 CG TYR A 15 -4.500 -26.319 2.668 1.00 0.00 C ATOM 226 CD1 TYR A 15 -3.362 -25.593 2.331 1.00 0.00 C ATOM 227 CD2 TYR A 15 -4.699 -26.636 4.008 1.00 0.00 C ATOM 228 CE1 TYR A 15 -2.455 -25.200 3.297 1.00 0.00 C ATOM 229 CE2 TYR A 15 -3.797 -26.245 4.976 1.00 0.00 C ATOM 230 CZ TYR A 15 -2.677 -25.528 4.616 1.00 0.00 C ATOM 231 OH TYR A 15 -1.774 -25.139 5.581 1.00 0.00 O ATOM 0 HA TYR A 15 -4.937 -28.821 1.740 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.551 -25.986 0.836 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.489 -26.817 2.061 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.185 -25.332 1.298 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.575 -27.198 4.296 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.576 -24.638 3.019 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -3.968 -26.500 6.011 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.079 -25.449 6.459 1.00 0.00 H new ATOM 241 N PRO A 16 -7.170 -29.523 0.704 1.00 0.00 N ATOM 242 CA PRO A 16 -6.979 -30.052 2.057 1.00 0.00 C ATOM 243 C PRO A 16 -5.999 -31.223 2.115 1.00 0.00 C ATOM 244 O PRO A 16 -5.732 -31.885 1.107 1.00 0.00 O ATOM 245 CB PRO A 16 -8.384 -30.506 2.440 1.00 0.00 C ATOM 246 CG PRO A 16 -9.014 -30.926 1.151 1.00 0.00 C ATOM 247 CD PRO A 16 -8.360 -30.109 0.056 1.00 0.00 C ATOM 0 HA PRO A 16 -6.546 -29.309 2.727 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.353 -31.331 3.152 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.946 -29.699 2.911 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.866 -31.992 0.978 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.090 -30.753 1.172 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.084 -30.732 -0.795 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.031 -29.336 -0.319 1.00 0.00 H new ATOM 255 N CYS A 17 -5.482 -31.472 3.312 1.00 0.00 N ATOM 256 CA CYS A 17 -4.520 -32.547 3.542 1.00 0.00 C ATOM 257 C CYS A 17 -4.439 -32.874 5.031 1.00 0.00 C ATOM 258 O CYS A 17 -4.800 -32.049 5.874 1.00 0.00 O ATOM 259 CB CYS A 17 -3.135 -32.147 3.012 1.00 0.00 C ATOM 260 SG CYS A 17 -2.468 -30.636 3.749 1.00 0.00 S ATOM 0 H CYS A 17 -5.716 -30.938 4.149 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.856 -33.434 3.006 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.438 -32.965 3.194 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.196 -32.015 1.932 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.299 -30.384 3.240 1.00 0.00 H new ATOM 266 N LEU A 18 -3.973 -34.078 5.340 1.00 0.00 N ATOM 267 CA LEU A 18 -3.820 -34.526 6.722 1.00 0.00 C ATOM 268 C LEU A 18 -2.633 -33.834 7.387 1.00 0.00 C ATOM 269 O LEU A 18 -1.477 -34.083 7.031 1.00 0.00 O ATOM 270 CB LEU A 18 -3.628 -36.051 6.763 1.00 0.00 C ATOM 271 CG LEU A 18 -4.836 -36.875 6.293 1.00 0.00 C ATOM 272 CD1 LEU A 18 -4.447 -38.336 6.079 1.00 0.00 C ATOM 273 CD2 LEU A 18 -5.983 -36.769 7.296 1.00 0.00 C ATOM 0 H LEU A 18 -3.691 -34.769 4.645 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.725 -34.263 7.270 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.769 -36.310 6.144 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.384 -36.343 7.784 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.173 -36.468 5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.319 -38.900 5.746 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.665 -38.397 5.322 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.079 -38.756 7.015 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.829 -37.360 6.945 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.655 -37.145 8.265 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.285 -35.726 7.395 1.00 0.00 H new ATOM 285 N TRP A 19 -2.927 -32.954 8.332 1.00 0.00 N ATOM 286 CA TRP A 19 -1.894 -32.279 9.105 1.00 0.00 C ATOM 287 C TRP A 19 -1.613 -33.087 10.373 1.00 0.00 C ATOM 288 O TRP A 19 -2.546 -33.537 11.046 1.00 0.00 O ATOM 289 CB TRP A 19 -2.335 -30.848 9.459 1.00 0.00 C ATOM 290 CG TRP A 19 -1.206 -29.968 9.919 1.00 0.00 C ATOM 291 CD1 TRP A 19 -0.662 -29.912 11.171 1.00 0.00 C ATOM 292 CD2 TRP A 19 -0.485 -29.015 9.127 1.00 0.00 C ATOM 293 NE1 TRP A 19 0.358 -28.992 11.201 1.00 0.00 N ATOM 294 CE2 TRP A 19 0.483 -28.426 9.962 1.00 0.00 C ATOM 295 CE3 TRP A 19 -0.565 -28.603 7.793 1.00 0.00 C ATOM 296 CZ2 TRP A 19 1.365 -27.448 9.506 1.00 0.00 C ATOM 297 CZ3 TRP A 19 0.313 -27.634 7.343 1.00 0.00 C ATOM 298 CH2 TRP A 19 1.267 -27.067 8.196 1.00 0.00 C ATOM 0 H TRP A 19 -3.879 -32.689 8.584 1.00 0.00 H new ATOM 0 HA TRP A 19 -0.982 -32.210 8.512 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -2.805 -30.395 8.586 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -3.092 -30.893 10.242 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -0.986 -30.504 12.014 1.00 0.00 H new ATOM 0 HE1 TRP A 19 0.930 -28.767 12.015 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -1.298 -29.033 7.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 2.100 -27.007 10.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 0.262 -27.309 6.314 1.00 0.00 H new ATOM 0 HH2 TRP A 19 1.939 -26.314 7.812 1.00 0.00 H new ATOM 309 N ASP A 20 -0.338 -33.284 10.683 1.00 0.00 N ATOM 310 CA ASP A 20 0.060 -34.112 11.819 1.00 0.00 C ATOM 311 C ASP A 20 0.316 -33.246 13.055 1.00 0.00 C ATOM 312 O ASP A 20 1.198 -32.380 13.049 1.00 0.00 O ATOM 313 CB ASP A 20 1.319 -34.918 11.464 1.00 0.00 C ATOM 314 CG ASP A 20 1.663 -35.970 12.509 1.00 0.00 C ATOM 315 OD1 ASP A 20 1.005 -37.033 12.517 1.00 0.00 O ATOM 316 OD2 ASP A 20 2.603 -35.746 13.308 1.00 0.00 O ATOM 0 H ASP A 20 0.442 -32.881 10.163 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.752 -34.803 12.048 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.173 -35.405 10.500 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.161 -34.236 11.352 1.00 0.00 H new ATOM 321 N TYR A 21 -0.464 -33.490 14.104 1.00 0.00 N ATOM 322 CA TYR A 21 -0.343 -32.770 15.370 1.00 0.00 C ATOM 323 C TYR A 21 0.224 -33.694 16.442 1.00 0.00 C ATOM 324 O TYR A 21 -0.067 -34.892 16.459 1.00 0.00 O ATOM 325 CB TYR A 21 -1.712 -32.241 15.824 1.00 0.00 C ATOM 326 CG TYR A 21 -2.337 -31.226 14.882 1.00 0.00 C ATOM 327 CD1 TYR A 21 -2.039 -29.869 14.990 1.00 0.00 C ATOM 328 CD2 TYR A 21 -3.231 -31.622 13.890 1.00 0.00 C ATOM 329 CE1 TYR A 21 -2.610 -28.942 14.140 1.00 0.00 C ATOM 330 CE2 TYR A 21 -3.805 -30.698 13.036 1.00 0.00 C ATOM 331 CZ TYR A 21 -3.491 -29.361 13.165 1.00 0.00 C ATOM 332 OH TYR A 21 -4.061 -28.438 12.315 1.00 0.00 O ATOM 0 H TYR A 21 -1.201 -34.195 14.101 1.00 0.00 H new ATOM 0 HA TYR A 21 0.331 -31.926 15.222 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.395 -33.083 15.935 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.604 -31.786 16.809 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.349 -29.536 15.752 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.480 -32.668 13.786 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.368 -27.894 14.238 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.496 -31.022 12.272 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.031 -28.572 12.290 1.00 0.00 H new ATOM 342 N ARG A 22 1.022 -33.132 17.341 1.00 0.00 N ATOM 343 CA ARG A 22 1.633 -33.905 18.417 1.00 0.00 C ATOM 344 C ARG A 22 1.117 -33.403 19.762 1.00 0.00 C ATOM 345 O ARG A 22 1.386 -32.265 20.155 1.00 0.00 O ATOM 346 CB ARG A 22 3.163 -33.796 18.342 1.00 0.00 C ATOM 347 CG ARG A 22 3.908 -34.844 19.163 1.00 0.00 C ATOM 348 CD ARG A 22 3.538 -36.264 18.741 1.00 0.00 C ATOM 349 NE ARG A 22 3.522 -36.425 17.280 1.00 0.00 N ATOM 350 CZ ARG A 22 4.567 -36.805 16.543 1.00 0.00 C ATOM 351 NH1 ARG A 22 5.733 -37.079 17.118 1.00 0.00 N ATOM 352 NH2 ARG A 22 4.433 -36.924 15.227 1.00 0.00 N ATOM 0 H ARG A 22 1.262 -32.141 17.347 1.00 0.00 H new ATOM 0 HA ARG A 22 1.363 -34.955 18.309 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.471 -33.881 17.300 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.462 -32.805 18.682 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.982 -34.699 19.048 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.679 -34.708 20.220 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.250 -36.967 19.174 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.557 -36.516 19.143 1.00 0.00 H new ATOM 0 HE ARG A 22 2.647 -36.232 16.793 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.834 -36.999 18.130 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.527 -37.369 16.548 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.535 -36.725 14.786 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.228 -37.214 14.658 1.00 0.00 H new ATOM 366 N VAL A 23 0.365 -34.249 20.455 1.00 0.00 N ATOM 367 CA VAL A 23 -0.311 -33.861 21.688 1.00 0.00 C ATOM 368 C VAL A 23 0.314 -34.558 22.896 1.00 0.00 C ATOM 369 O VAL A 23 0.084 -35.744 23.120 1.00 0.00 O ATOM 370 CB VAL A 23 -1.820 -34.213 21.623 1.00 0.00 C ATOM 371 CG1 VAL A 23 -2.568 -33.651 22.830 1.00 0.00 C ATOM 372 CG2 VAL A 23 -2.435 -33.720 20.312 1.00 0.00 C ATOM 0 H VAL A 23 0.207 -35.219 20.181 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.197 -32.783 21.798 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.916 -35.298 21.652 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.624 -33.913 22.758 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.151 -34.072 23.745 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.464 -32.566 22.850 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.494 -33.977 20.287 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.323 -32.638 20.242 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.927 -34.193 19.471 1.00 0.00 H new ATOM 382 N ILE A 24 1.113 -33.823 23.666 1.00 0.00 N ATOM 383 CA ILE A 24 1.735 -34.375 24.867 1.00 0.00 C ATOM 384 C ILE A 24 0.856 -34.102 26.087 1.00 0.00 C ATOM 385 O ILE A 24 0.778 -32.966 26.576 1.00 0.00 O ATOM 386 CB ILE A 24 3.157 -33.798 25.098 1.00 0.00 C ATOM 387 CG1 ILE A 24 4.065 -34.131 23.899 1.00 0.00 C ATOM 388 CG2 ILE A 24 3.756 -34.338 26.402 1.00 0.00 C ATOM 389 CD1 ILE A 24 5.466 -33.569 24.014 1.00 0.00 C ATOM 0 H ILE A 24 1.344 -32.847 23.481 1.00 0.00 H new ATOM 0 HA ILE A 24 1.833 -35.451 24.722 1.00 0.00 H new ATOM 0 HB ILE A 24 3.083 -32.714 25.186 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.126 -35.214 23.792 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.604 -33.747 22.989 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.753 -33.921 26.545 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.120 -34.053 27.240 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.821 -35.425 26.350 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.043 -33.847 23.132 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.417 -32.483 24.089 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.948 -33.973 24.904 1.00 0.00 H new ATOM 401 N MET A 25 0.180 -35.146 26.557 1.00 0.00 N ATOM 402 CA MET A 25 -0.740 -35.052 27.690 1.00 0.00 C ATOM 403 C MET A 25 -0.141 -35.727 28.920 1.00 0.00 C ATOM 404 O MET A 25 0.682 -36.633 28.800 1.00 0.00 O ATOM 405 CB MET A 25 -2.084 -35.716 27.333 1.00 0.00 C ATOM 406 CG MET A 25 -2.807 -35.058 26.163 1.00 0.00 C ATOM 407 SD MET A 25 -4.257 -35.986 25.612 1.00 0.00 S ATOM 408 CE MET A 25 -5.237 -36.041 27.108 1.00 0.00 C ATOM 0 H MET A 25 0.254 -36.084 26.163 1.00 0.00 H new ATOM 0 HA MET A 25 -0.908 -33.999 27.915 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.908 -36.765 27.095 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.733 -35.693 28.208 1.00 0.00 H new ATOM 0 HG2 MET A 25 -3.115 -34.053 26.453 1.00 0.00 H new ATOM 0 HG3 MET A 25 -2.113 -34.951 25.329 1.00 0.00 H new ATOM 0 HE1 MET A 25 -6.264 -35.755 26.881 1.00 0.00 H new ATOM 0 HE2 MET A 25 -5.223 -37.052 27.515 1.00 0.00 H new ATOM 0 HE3 MET A 25 -4.822 -35.349 27.841 1.00 0.00 H new ATOM 418 N THR A 26 -0.556 -35.281 30.100 1.00 0.00 N ATOM 419 CA THR A 26 -0.121 -35.884 31.357 1.00 0.00 C ATOM 420 C THR A 26 -1.113 -36.957 31.819 1.00 0.00 C ATOM 421 O THR A 26 -1.154 -37.324 32.999 1.00 0.00 O ATOM 422 CB THR A 26 0.042 -34.804 32.455 1.00 0.00 C ATOM 423 OG1 THR A 26 -1.049 -33.872 32.398 1.00 0.00 O ATOM 424 CG2 THR A 26 1.365 -34.059 32.303 1.00 0.00 C ATOM 0 H THR A 26 -1.199 -34.497 30.214 1.00 0.00 H new ATOM 0 HA THR A 26 0.846 -36.356 31.185 1.00 0.00 H new ATOM 0 HB THR A 26 0.040 -35.306 33.423 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.937 -33.194 33.097 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.451 -33.307 33.088 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.192 -34.765 32.384 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.398 -33.572 31.328 1.00 0.00 H new ATOM 432 N THR A 27 -1.899 -37.468 30.875 1.00 0.00 N ATOM 433 CA THR A 27 -2.885 -38.499 31.161 1.00 0.00 C ATOM 434 C THR A 27 -3.192 -39.299 29.896 1.00 0.00 C ATOM 435 O THR A 27 -3.152 -38.758 28.787 1.00 0.00 O ATOM 436 CB THR A 27 -4.202 -37.891 31.707 1.00 0.00 C ATOM 437 OG1 THR A 27 -5.086 -38.932 32.143 1.00 0.00 O ATOM 438 CG2 THR A 27 -4.903 -37.046 30.651 1.00 0.00 C ATOM 0 H THR A 27 -1.869 -37.179 29.897 1.00 0.00 H new ATOM 0 HA THR A 27 -2.462 -39.154 31.923 1.00 0.00 H new ATOM 0 HB THR A 27 -3.944 -37.250 32.550 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.644 -38.601 32.877 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.823 -36.634 31.066 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.248 -36.231 30.343 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.141 -37.667 29.787 1.00 0.00 H new ATOM 446 N LYS A 28 -3.477 -40.586 30.065 1.00 0.00 N ATOM 447 CA LYS A 28 -3.952 -41.415 28.962 1.00 0.00 C ATOM 448 C LYS A 28 -5.475 -41.346 28.885 1.00 0.00 C ATOM 449 O LYS A 28 -6.098 -41.947 28.004 1.00 0.00 O ATOM 450 CB LYS A 28 -3.476 -42.865 29.123 1.00 0.00 C ATOM 451 CG LYS A 28 -1.972 -43.043 28.914 1.00 0.00 C ATOM 452 CD LYS A 28 -1.519 -44.490 29.130 1.00 0.00 C ATOM 453 CE LYS A 28 -1.381 -44.850 30.611 1.00 0.00 C ATOM 454 NZ LYS A 28 -2.657 -44.702 31.368 1.00 0.00 N ATOM 0 H LYS A 28 -3.388 -41.078 30.954 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.536 -41.034 28.030 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.740 -43.216 30.121 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.010 -43.495 28.412 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.709 -42.730 27.904 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.433 -42.390 29.601 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.236 -45.165 28.661 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.562 -44.645 28.632 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.031 -45.878 30.698 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.620 -44.215 31.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.608 -45.260 32.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.807 -43.700 31.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.448 -45.042 30.785 1.00 0.00 H new ATOM 468 N ASP A 29 -6.070 -40.601 29.816 1.00 0.00 N ATOM 469 CA ASP A 29 -7.509 -40.357 29.811 1.00 0.00 C ATOM 470 C ASP A 29 -7.841 -39.311 28.748 1.00 0.00 C ATOM 471 O ASP A 29 -8.121 -38.146 29.053 1.00 0.00 O ATOM 472 CB ASP A 29 -7.989 -39.907 31.204 1.00 0.00 C ATOM 473 CG ASP A 29 -9.482 -39.601 31.257 1.00 0.00 C ATOM 474 OD1 ASP A 29 -10.296 -40.539 31.112 1.00 0.00 O ATOM 475 OD2 ASP A 29 -9.850 -38.421 31.449 1.00 0.00 O ATOM 0 H ASP A 29 -5.573 -40.154 30.587 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.031 -41.282 29.569 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.759 -40.687 31.930 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.432 -39.019 31.503 1.00 0.00 H new ATOM 480 N THR A 30 -7.752 -39.724 27.488 1.00 0.00 N ATOM 481 CA THR A 30 -8.018 -38.839 26.366 1.00 0.00 C ATOM 482 C THR A 30 -9.511 -38.845 26.034 1.00 0.00 C ATOM 483 O THR A 30 -10.109 -39.900 25.817 1.00 0.00 O ATOM 484 CB THR A 30 -7.183 -39.223 25.114 1.00 0.00 C ATOM 485 OG1 THR A 30 -7.494 -38.343 24.022 1.00 0.00 O ATOM 486 CG2 THR A 30 -7.424 -40.672 24.691 1.00 0.00 C ATOM 0 H THR A 30 -7.495 -40.674 27.220 1.00 0.00 H new ATOM 0 HA THR A 30 -7.719 -37.833 26.660 1.00 0.00 H new ATOM 0 HB THR A 30 -6.131 -39.121 25.380 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.226 -38.762 23.178 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.821 -40.899 23.812 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.144 -41.340 25.506 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.479 -40.811 24.453 1.00 0.00 H new ATOM 494 N SER A 31 -10.108 -37.661 26.021 1.00 0.00 N ATOM 495 CA SER A 31 -11.537 -37.517 25.789 1.00 0.00 C ATOM 496 C SER A 31 -11.815 -36.238 25.005 1.00 0.00 C ATOM 497 O SER A 31 -12.149 -36.282 23.818 1.00 0.00 O ATOM 498 CB SER A 31 -12.266 -37.497 27.138 1.00 0.00 C ATOM 499 OG SER A 31 -11.662 -36.560 28.025 1.00 0.00 O ATOM 0 H SER A 31 -9.618 -36.779 26.170 1.00 0.00 H new ATOM 0 HA SER A 31 -11.901 -38.360 25.201 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.314 -37.238 26.986 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.245 -38.492 27.583 1.00 0.00 H new ATOM 0 HG SER A 31 -12.171 -36.526 28.862 1.00 0.00 H new ATOM 505 N THR A 32 -11.629 -35.102 25.675 1.00 0.00 N ATOM 506 CA THR A 32 -11.845 -33.784 25.084 1.00 0.00 C ATOM 507 C THR A 32 -11.096 -33.650 23.754 1.00 0.00 C ATOM 508 O THR A 32 -11.558 -32.980 22.829 1.00 0.00 O ATOM 509 CB THR A 32 -11.365 -32.683 26.058 1.00 0.00 C ATOM 510 OG1 THR A 32 -11.610 -33.098 27.411 1.00 0.00 O ATOM 511 CG2 THR A 32 -12.071 -31.356 25.795 1.00 0.00 C ATOM 0 H THR A 32 -11.323 -35.071 26.647 1.00 0.00 H new ATOM 0 HA THR A 32 -12.912 -33.668 24.896 1.00 0.00 H new ATOM 0 HB THR A 32 -10.297 -32.534 25.900 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.304 -32.400 28.028 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.709 -30.606 26.498 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.863 -31.029 24.776 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.146 -31.484 25.923 1.00 0.00 H new ATOM 519 N LEU A 33 -9.941 -34.316 23.673 1.00 0.00 N ATOM 520 CA LEU A 33 -9.099 -34.291 22.480 1.00 0.00 C ATOM 521 C LEU A 33 -9.872 -34.777 21.255 1.00 0.00 C ATOM 522 O LEU A 33 -9.826 -34.158 20.199 1.00 0.00 O ATOM 523 CB LEU A 33 -7.852 -35.163 22.703 1.00 0.00 C ATOM 524 CG LEU A 33 -6.858 -35.222 21.527 1.00 0.00 C ATOM 525 CD1 LEU A 33 -6.328 -33.830 21.190 1.00 0.00 C ATOM 526 CD2 LEU A 33 -5.708 -36.179 21.845 1.00 0.00 C ATOM 0 H LEU A 33 -9.566 -34.885 24.432 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.789 -33.262 22.297 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.325 -34.792 23.582 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.177 -36.178 22.931 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.387 -35.600 20.652 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.629 -33.899 20.357 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.159 -33.181 20.913 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.818 -33.415 22.059 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.016 -36.208 21.004 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.183 -35.833 22.735 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.105 -37.178 22.023 1.00 0.00 H new ATOM 538 N LYS A 34 -10.594 -35.881 21.411 1.00 0.00 N ATOM 539 CA LYS A 34 -11.353 -36.462 20.306 1.00 0.00 C ATOM 540 C LYS A 34 -12.610 -35.646 20.021 1.00 0.00 C ATOM 541 O LYS A 34 -12.960 -35.414 18.862 1.00 0.00 O ATOM 542 CB LYS A 34 -11.728 -37.918 20.616 1.00 0.00 C ATOM 543 CG LYS A 34 -10.525 -38.850 20.744 1.00 0.00 C ATOM 544 CD LYS A 34 -10.949 -40.294 21.010 1.00 0.00 C ATOM 545 CE LYS A 34 -11.644 -40.446 22.358 1.00 0.00 C ATOM 546 NZ LYS A 34 -12.112 -41.837 22.586 1.00 0.00 N ATOM 0 H LYS A 34 -10.671 -36.392 22.290 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.721 -36.444 19.418 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.299 -37.947 21.544 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.382 -38.291 19.828 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.934 -38.808 19.829 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.883 -38.505 21.554 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.619 -40.627 20.217 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.072 -40.941 20.979 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.958 -40.159 23.155 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.493 -39.765 22.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.579 -41.899 23.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.786 -42.103 21.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.299 -42.485 22.564 1.00 0.00 H new ATOM 560 N GLU A 35 -13.270 -35.198 21.085 1.00 0.00 N ATOM 561 CA GLU A 35 -14.528 -34.463 20.963 1.00 0.00 C ATOM 562 C GLU A 35 -14.354 -33.206 20.109 1.00 0.00 C ATOM 563 O GLU A 35 -15.184 -32.918 19.244 1.00 0.00 O ATOM 564 CB GLU A 35 -15.068 -34.087 22.351 1.00 0.00 C ATOM 565 CG GLU A 35 -15.298 -35.284 23.269 1.00 0.00 C ATOM 566 CD GLU A 35 -16.224 -36.331 22.662 1.00 0.00 C ATOM 567 OE1 GLU A 35 -17.434 -36.055 22.522 1.00 0.00 O ATOM 568 OE2 GLU A 35 -15.747 -37.441 22.334 1.00 0.00 O ATOM 0 H GLU A 35 -12.954 -35.331 22.046 1.00 0.00 H new ATOM 0 HA GLU A 35 -15.248 -35.115 20.467 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.367 -33.403 22.830 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -16.008 -33.548 22.231 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.339 -35.746 23.501 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.721 -34.936 24.212 1.00 0.00 H new ATOM 575 N LEU A 36 -13.268 -32.470 20.344 1.00 0.00 N ATOM 576 CA LEU A 36 -13.016 -31.229 19.613 1.00 0.00 C ATOM 577 C LEU A 36 -12.784 -31.521 18.130 1.00 0.00 C ATOM 578 O LEU A 36 -13.120 -30.710 17.270 1.00 0.00 O ATOM 579 CB LEU A 36 -11.825 -30.461 20.225 1.00 0.00 C ATOM 580 CG LEU A 36 -10.428 -31.094 20.042 1.00 0.00 C ATOM 581 CD1 LEU A 36 -9.781 -30.656 18.727 1.00 0.00 C ATOM 582 CD2 LEU A 36 -9.521 -30.758 21.220 1.00 0.00 C ATOM 0 H LEU A 36 -12.553 -32.710 21.031 1.00 0.00 H new ATOM 0 HA LEU A 36 -13.897 -30.593 19.699 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.806 -29.461 19.792 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.008 -30.342 21.293 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.562 -32.175 20.005 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.800 -31.121 18.632 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.410 -30.963 17.892 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.671 -29.572 18.719 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.543 -31.215 21.068 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.408 -29.676 21.296 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.962 -31.142 22.140 1.00 0.00 H new ATOM 594 N LEU A 37 -12.216 -32.688 17.839 1.00 0.00 N ATOM 595 CA LEU A 37 -11.957 -33.103 16.461 1.00 0.00 C ATOM 596 C LEU A 37 -13.269 -33.445 15.759 1.00 0.00 C ATOM 597 O LEU A 37 -13.485 -33.094 14.595 1.00 0.00 O ATOM 598 CB LEU A 37 -11.014 -34.317 16.449 1.00 0.00 C ATOM 599 CG LEU A 37 -9.659 -34.101 17.147 1.00 0.00 C ATOM 600 CD1 LEU A 37 -8.896 -35.416 17.278 1.00 0.00 C ATOM 601 CD2 LEU A 37 -8.820 -33.072 16.396 1.00 0.00 C ATOM 0 H LEU A 37 -11.925 -33.367 18.542 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.481 -32.281 15.926 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.521 -35.156 16.926 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.830 -34.604 15.414 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.857 -33.720 18.149 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.942 -35.236 17.774 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.484 -36.121 17.866 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.716 -35.832 16.287 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.867 -32.936 16.908 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.639 -33.422 15.380 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.353 -32.122 16.363 1.00 0.00 H new ATOM 613 N GLU A 38 -14.150 -34.110 16.498 1.00 0.00 N ATOM 614 CA GLU A 38 -15.448 -34.540 15.982 1.00 0.00 C ATOM 615 C GLU A 38 -16.307 -33.354 15.536 1.00 0.00 C ATOM 616 O GLU A 38 -17.152 -33.496 14.651 1.00 0.00 O ATOM 617 CB GLU A 38 -16.188 -35.353 17.051 1.00 0.00 C ATOM 618 CG GLU A 38 -15.597 -36.738 17.293 1.00 0.00 C ATOM 619 CD GLU A 38 -15.807 -37.676 16.113 1.00 0.00 C ATOM 620 OE1 GLU A 38 -16.980 -37.955 15.775 1.00 0.00 O ATOM 621 OE2 GLU A 38 -14.812 -38.148 15.526 1.00 0.00 O ATOM 0 H GLU A 38 -13.986 -34.367 17.471 1.00 0.00 H new ATOM 0 HA GLU A 38 -15.268 -35.162 15.105 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.179 -34.796 17.988 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -17.231 -35.461 16.754 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -14.530 -36.644 17.493 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.051 -37.173 18.184 1.00 0.00 H new ATOM 628 N THR A 39 -16.080 -32.187 16.138 1.00 0.00 N ATOM 629 CA THR A 39 -16.867 -30.993 15.817 1.00 0.00 C ATOM 630 C THR A 39 -16.697 -30.592 14.349 1.00 0.00 C ATOM 631 O THR A 39 -17.564 -29.932 13.771 1.00 0.00 O ATOM 632 CB THR A 39 -16.482 -29.791 16.713 1.00 0.00 C ATOM 633 OG1 THR A 39 -15.144 -29.361 16.418 1.00 0.00 O ATOM 634 CG2 THR A 39 -16.588 -30.150 18.193 1.00 0.00 C ATOM 0 H THR A 39 -15.362 -32.041 16.847 1.00 0.00 H new ATOM 0 HA THR A 39 -17.909 -31.253 16.004 1.00 0.00 H new ATOM 0 HB THR A 39 -17.180 -28.981 16.502 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.512 -30.069 16.661 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.312 -29.286 18.798 1.00 0.00 H new ATOM 0 HG22 THR A 39 -17.612 -30.442 18.424 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.916 -30.979 18.415 1.00 0.00 H new ATOM 642 N TYR A 40 -15.571 -30.990 13.752 1.00 0.00 N ATOM 643 CA TYR A 40 -15.283 -30.675 12.353 1.00 0.00 C ATOM 644 C TYR A 40 -15.947 -31.693 11.431 1.00 0.00 C ATOM 645 O TYR A 40 -15.938 -31.536 10.210 1.00 0.00 O ATOM 646 CB TYR A 40 -13.766 -30.637 12.110 1.00 0.00 C ATOM 647 CG TYR A 40 -13.046 -29.616 12.972 1.00 0.00 C ATOM 648 CD1 TYR A 40 -12.920 -28.290 12.566 1.00 0.00 C ATOM 649 CD2 TYR A 40 -12.504 -29.975 14.202 1.00 0.00 C ATOM 650 CE1 TYR A 40 -12.278 -27.360 13.362 1.00 0.00 C ATOM 651 CE2 TYR A 40 -11.859 -29.048 14.999 1.00 0.00 C ATOM 652 CZ TYR A 40 -11.751 -27.744 14.574 1.00 0.00 C ATOM 653 OH TYR A 40 -11.121 -26.809 15.366 1.00 0.00 O ATOM 0 H TYR A 40 -14.843 -31.532 14.218 1.00 0.00 H new ATOM 0 HA TYR A 40 -15.691 -29.689 12.130 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -13.349 -31.625 12.304 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -13.579 -30.413 11.060 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -13.330 -27.984 11.615 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -12.589 -30.997 14.540 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -12.190 -26.335 13.034 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -11.442 -29.346 15.950 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.251 -26.583 14.976 1.00 0.00 H new ATOM 663 N GLN A 41 -16.512 -32.742 12.036 1.00 0.00 N ATOM 664 CA GLN A 41 -17.252 -33.777 11.311 1.00 0.00 C ATOM 665 C GLN A 41 -16.390 -34.433 10.233 1.00 0.00 C ATOM 666 O GLN A 41 -16.905 -34.945 9.237 1.00 0.00 O ATOM 667 CB GLN A 41 -18.533 -33.185 10.703 1.00 0.00 C ATOM 668 CG GLN A 41 -19.504 -32.642 11.747 1.00 0.00 C ATOM 669 CD GLN A 41 -19.987 -33.712 12.714 1.00 0.00 C ATOM 670 OE1 GLN A 41 -20.115 -34.882 12.352 1.00 0.00 O ATOM 671 NE2 GLN A 41 -20.255 -33.323 13.951 1.00 0.00 N ATOM 0 H GLN A 41 -16.469 -32.897 13.043 1.00 0.00 H new ATOM 0 HA GLN A 41 -17.529 -34.555 12.022 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -18.263 -32.383 10.016 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -19.036 -33.953 10.115 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -19.018 -31.844 12.308 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -20.363 -32.200 11.243 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -20.137 -32.345 14.215 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -20.579 -34.002 14.640 1.00 0.00 H new ATOM 680 N ARG A 42 -15.081 -34.433 10.457 1.00 0.00 N ATOM 681 CA ARG A 42 -14.133 -35.053 9.536 1.00 0.00 C ATOM 682 C ARG A 42 -13.374 -36.172 10.252 1.00 0.00 C ATOM 683 O ARG A 42 -13.227 -36.130 11.478 1.00 0.00 O ATOM 684 CB ARG A 42 -13.138 -34.011 9.000 1.00 0.00 C ATOM 685 CG ARG A 42 -12.166 -33.485 10.053 1.00 0.00 C ATOM 686 CD ARG A 42 -11.038 -32.669 9.430 1.00 0.00 C ATOM 687 NE ARG A 42 -11.488 -31.371 8.919 1.00 0.00 N ATOM 688 CZ ARG A 42 -11.723 -31.104 7.629 1.00 0.00 C ATOM 689 NH1 ARG A 42 -11.686 -32.073 6.716 1.00 0.00 N ATOM 690 NH2 ARG A 42 -12.008 -29.868 7.248 1.00 0.00 N ATOM 0 H ARG A 42 -14.648 -34.007 11.276 1.00 0.00 H new ATOM 0 HA ARG A 42 -14.687 -35.469 8.695 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.568 -34.454 8.183 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.695 -33.172 8.583 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.707 -32.868 10.770 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.744 -34.323 10.608 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.258 -32.510 10.174 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.591 -33.239 8.616 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.632 -30.619 9.593 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.477 -33.031 6.997 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.867 -31.857 5.736 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.049 -29.118 7.938 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.187 -29.666 6.264 1.00 0.00 H new ATOM 704 N PRO A 43 -12.888 -37.184 9.508 1.00 0.00 N ATOM 705 CA PRO A 43 -12.121 -38.295 10.090 1.00 0.00 C ATOM 706 C PRO A 43 -10.718 -37.862 10.525 1.00 0.00 C ATOM 707 O PRO A 43 -10.167 -36.885 10.004 1.00 0.00 O ATOM 708 CB PRO A 43 -12.051 -39.313 8.943 1.00 0.00 C ATOM 709 CG PRO A 43 -12.143 -38.488 7.704 1.00 0.00 C ATOM 710 CD PRO A 43 -13.048 -37.331 8.044 1.00 0.00 C ATOM 0 HA PRO A 43 -12.584 -38.690 10.994 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -11.121 -39.881 8.973 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.867 -40.033 9.002 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -11.159 -38.136 7.395 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.548 -39.070 6.876 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.755 -36.424 7.515 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -14.083 -37.538 7.772 1.00 0.00 H new ATOM 718 N PHE A 44 -10.149 -38.588 11.487 1.00 0.00 N ATOM 719 CA PHE A 44 -8.794 -38.318 11.960 1.00 0.00 C ATOM 720 C PHE A 44 -8.106 -39.608 12.396 1.00 0.00 C ATOM 721 O PHE A 44 -8.767 -40.600 12.718 1.00 0.00 O ATOM 722 CB PHE A 44 -8.800 -37.300 13.115 1.00 0.00 C ATOM 723 CG PHE A 44 -9.532 -37.757 14.358 1.00 0.00 C ATOM 724 CD1 PHE A 44 -8.868 -38.462 15.357 1.00 0.00 C ATOM 725 CD2 PHE A 44 -10.878 -37.469 14.535 1.00 0.00 C ATOM 726 CE1 PHE A 44 -9.534 -38.872 16.498 1.00 0.00 C ATOM 727 CE2 PHE A 44 -11.546 -37.876 15.674 1.00 0.00 C ATOM 728 CZ PHE A 44 -10.875 -38.578 16.656 1.00 0.00 C ATOM 0 H PHE A 44 -10.608 -39.370 11.954 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.234 -37.888 11.130 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -7.769 -37.068 13.382 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -9.254 -36.374 12.762 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -7.819 -38.692 15.240 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -11.410 -36.920 13.773 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.007 -39.421 17.264 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -12.594 -37.645 15.796 1.00 0.00 H new ATOM 0 HZ PHE A 44 -11.397 -38.897 17.546 1.00 0.00 H new ATOM 738 N LYS A 45 -6.780 -39.587 12.387 1.00 0.00 N ATOM 739 CA LYS A 45 -5.970 -40.718 12.819 1.00 0.00 C ATOM 740 C LYS A 45 -5.450 -40.466 14.233 1.00 0.00 C ATOM 741 O LYS A 45 -4.716 -39.504 14.468 1.00 0.00 O ATOM 742 CB LYS A 45 -4.810 -40.937 11.823 1.00 0.00 C ATOM 743 CG LYS A 45 -3.833 -42.059 12.197 1.00 0.00 C ATOM 744 CD LYS A 45 -2.685 -41.572 13.096 1.00 0.00 C ATOM 745 CE LYS A 45 -1.325 -41.649 12.400 1.00 0.00 C ATOM 746 NZ LYS A 45 -1.274 -40.826 11.160 1.00 0.00 N ATOM 0 H LYS A 45 -6.234 -38.782 12.079 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.576 -41.624 12.837 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.231 -41.155 10.842 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.251 -40.006 11.730 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.377 -42.853 12.708 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.418 -42.492 11.287 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.877 -40.543 13.400 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.659 -42.173 14.005 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.549 -41.313 13.088 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.105 -42.688 12.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.357 -40.964 10.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.040 -41.116 10.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.390 -39.822 11.405 1.00 0.00 H new ATOM 760 N LEU A 46 -5.848 -41.321 15.169 1.00 0.00 N ATOM 761 CA LEU A 46 -5.420 -41.212 16.562 1.00 0.00 C ATOM 762 C LEU A 46 -4.454 -42.347 16.904 1.00 0.00 C ATOM 763 O LEU A 46 -4.808 -43.522 16.798 1.00 0.00 O ATOM 764 CB LEU A 46 -6.641 -41.257 17.494 1.00 0.00 C ATOM 765 CG LEU A 46 -6.333 -41.149 18.999 1.00 0.00 C ATOM 766 CD1 LEU A 46 -5.737 -39.783 19.340 1.00 0.00 C ATOM 767 CD2 LEU A 46 -7.590 -41.412 19.825 1.00 0.00 C ATOM 0 H LEU A 46 -6.473 -42.106 14.986 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.907 -40.260 16.700 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.315 -40.445 17.220 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.177 -42.190 17.317 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.593 -41.910 19.248 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.529 -39.733 20.409 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.811 -39.641 18.783 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.446 -39.000 19.072 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.352 -41.331 20.886 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.354 -40.679 19.568 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.962 -42.414 19.612 1.00 0.00 H new ATOM 779 N GLU A 47 -3.238 -41.991 17.302 1.00 0.00 N ATOM 780 CA GLU A 47 -2.212 -42.973 17.655 1.00 0.00 C ATOM 781 C GLU A 47 -1.435 -42.534 18.892 1.00 0.00 C ATOM 782 O GLU A 47 -1.364 -41.345 19.202 1.00 0.00 O ATOM 783 CB GLU A 47 -1.240 -43.180 16.479 1.00 0.00 C ATOM 784 CG GLU A 47 -1.698 -44.226 15.470 1.00 0.00 C ATOM 785 CD GLU A 47 -1.726 -45.628 16.062 1.00 0.00 C ATOM 786 OE1 GLU A 47 -0.668 -46.094 16.537 1.00 0.00 O ATOM 787 OE2 GLU A 47 -2.799 -46.268 16.063 1.00 0.00 O ATOM 0 H GLU A 47 -2.934 -41.021 17.390 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.714 -43.915 17.877 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.102 -42.229 15.964 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.267 -43.473 16.873 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.693 -43.967 15.108 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.032 -44.212 14.608 1.00 0.00 H new ATOM 794 N PHE A 48 -0.861 -43.506 19.593 1.00 0.00 N ATOM 795 CA PHE A 48 0.008 -43.233 20.734 1.00 0.00 C ATOM 796 C PHE A 48 1.466 -43.428 20.323 1.00 0.00 C ATOM 797 O PHE A 48 1.820 -44.461 19.748 1.00 0.00 O ATOM 798 CB PHE A 48 -0.346 -44.160 21.909 1.00 0.00 C ATOM 799 CG PHE A 48 0.563 -44.009 23.110 1.00 0.00 C ATOM 800 CD1 PHE A 48 0.492 -42.879 23.914 1.00 0.00 C ATOM 801 CD2 PHE A 48 1.485 -44.996 23.433 1.00 0.00 C ATOM 802 CE1 PHE A 48 1.320 -42.738 25.011 1.00 0.00 C ATOM 803 CE2 PHE A 48 2.314 -44.859 24.529 1.00 0.00 C ATOM 804 CZ PHE A 48 2.230 -43.729 25.320 1.00 0.00 C ATOM 0 H PHE A 48 -0.983 -44.498 19.389 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.137 -42.202 21.056 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.373 -43.963 22.217 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.309 -45.194 21.566 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.219 -42.101 23.679 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.555 -45.882 22.819 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.255 -41.853 25.626 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.027 -45.634 24.768 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.876 -43.621 26.179 1.00 0.00 H new ATOM 814 N LYS A 49 2.300 -42.431 20.598 1.00 0.00 N ATOM 815 CA LYS A 49 3.721 -42.498 20.267 1.00 0.00 C ATOM 816 C LYS A 49 4.486 -43.280 21.332 1.00 0.00 C ATOM 817 O LYS A 49 4.809 -44.457 21.142 1.00 0.00 O ATOM 818 CB LYS A 49 4.309 -41.083 20.113 1.00 0.00 C ATOM 819 CG LYS A 49 3.919 -40.385 18.814 1.00 0.00 C ATOM 820 CD LYS A 49 4.525 -41.089 17.601 1.00 0.00 C ATOM 821 CE LYS A 49 4.209 -40.366 16.297 1.00 0.00 C ATOM 822 NZ LYS A 49 4.851 -41.028 15.130 1.00 0.00 N ATOM 0 H LYS A 49 2.016 -41.563 21.051 1.00 0.00 H new ATOM 0 HA LYS A 49 3.825 -43.020 19.316 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.982 -40.472 20.954 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.396 -41.145 20.168 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.833 -40.366 18.721 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.255 -39.348 18.841 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.606 -41.156 17.725 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.147 -42.110 17.549 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.129 -40.337 16.150 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.550 -39.333 16.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.613 -40.508 14.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.883 -41.034 15.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.506 -42.006 15.053 1.00 0.00 H new ATOM 836 N ASN A 50 4.742 -42.631 22.461 1.00 0.00 N ATOM 837 CA ASN A 50 5.539 -43.222 23.533 1.00 0.00 C ATOM 838 C ASN A 50 5.500 -42.318 24.761 1.00 0.00 C ATOM 839 O ASN A 50 5.305 -41.104 24.634 1.00 0.00 O ATOM 840 CB ASN A 50 6.991 -43.428 23.063 1.00 0.00 C ATOM 841 CG ASN A 50 7.869 -44.098 24.109 1.00 0.00 C ATOM 842 OD1 ASN A 50 8.517 -43.431 24.911 1.00 0.00 O ATOM 843 ND2 ASN A 50 7.894 -45.423 24.104 1.00 0.00 N ATOM 0 H ASN A 50 4.407 -41.688 22.660 1.00 0.00 H new ATOM 0 HA ASN A 50 5.121 -44.194 23.796 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.990 -44.033 22.157 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.422 -42.462 22.801 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.466 -45.925 24.783 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.341 -45.941 23.421 1.00 0.00 H new ATOM 850 N THR A 51 5.657 -42.904 25.941 1.00 0.00 N ATOM 851 CA THR A 51 5.659 -42.138 27.181 1.00 0.00 C ATOM 852 C THR A 51 7.091 -41.740 27.551 1.00 0.00 C ATOM 853 O THR A 51 8.018 -42.544 27.432 1.00 0.00 O ATOM 854 CB THR A 51 5.004 -42.932 28.342 1.00 0.00 C ATOM 855 OG1 THR A 51 4.813 -42.078 29.476 1.00 0.00 O ATOM 856 CG2 THR A 51 5.846 -44.137 28.753 1.00 0.00 C ATOM 0 H THR A 51 5.785 -43.908 26.066 1.00 0.00 H new ATOM 0 HA THR A 51 5.067 -41.237 27.020 1.00 0.00 H new ATOM 0 HB THR A 51 4.041 -43.297 27.984 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.868 -41.141 29.193 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.352 -44.665 29.568 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.960 -44.809 27.902 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.828 -43.799 29.083 1.00 0.00 H new ATOM 864 N SER A 52 7.268 -40.494 27.980 1.00 0.00 N ATOM 865 CA SER A 52 8.589 -39.964 28.303 1.00 0.00 C ATOM 866 C SER A 52 9.210 -40.702 29.493 1.00 0.00 C ATOM 867 O SER A 52 9.014 -40.297 30.639 1.00 0.00 O ATOM 868 CB SER A 52 8.490 -38.462 28.599 1.00 0.00 C ATOM 869 OG SER A 52 7.829 -37.781 27.545 1.00 0.00 O ATOM 0 H SER A 52 6.507 -39.828 28.113 1.00 0.00 H new ATOM 0 HA SER A 52 9.238 -40.118 27.441 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.950 -38.306 29.533 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.489 -38.047 28.735 1.00 0.00 H new ATOM 0 HG SER A 52 7.915 -36.814 27.676 1.00 0.00 H new ATOM 875 N LYS A 53 9.914 -41.803 29.186 1.00 0.00 N ATOM 876 CA LYS A 53 10.661 -42.639 30.153 1.00 0.00 C ATOM 877 C LYS A 53 9.998 -42.758 31.542 1.00 0.00 C ATOM 878 O LYS A 53 9.479 -43.822 31.893 1.00 0.00 O ATOM 879 CB LYS A 53 12.132 -42.178 30.273 1.00 0.00 C ATOM 880 CG LYS A 53 12.327 -40.722 30.699 1.00 0.00 C ATOM 881 CD LYS A 53 13.803 -40.378 30.892 1.00 0.00 C ATOM 882 CE LYS A 53 14.583 -40.405 29.579 1.00 0.00 C ATOM 883 NZ LYS A 53 14.141 -39.336 28.642 1.00 0.00 N ATOM 0 H LYS A 53 9.984 -42.151 28.230 1.00 0.00 H new ATOM 0 HA LYS A 53 10.639 -43.646 29.737 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.640 -42.821 30.992 1.00 0.00 H new ATOM 0 HB3 LYS A 53 12.622 -42.327 29.311 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.896 -40.062 29.946 1.00 0.00 H new ATOM 0 HG3 LYS A 53 11.787 -40.540 31.628 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.887 -39.388 31.341 1.00 0.00 H new ATOM 0 HD3 LYS A 53 14.250 -41.085 31.592 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.646 -40.287 29.787 1.00 0.00 H new ATOM 0 HE3 LYS A 53 14.458 -41.378 29.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.802 -39.281 27.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.188 -39.556 28.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.124 -38.423 29.140 1.00 0.00 H new ATOM 897 N ASN A 54 10.015 -41.675 32.320 1.00 0.00 N ATOM 898 CA ASN A 54 9.487 -41.668 33.690 1.00 0.00 C ATOM 899 C ASN A 54 7.968 -41.873 33.695 1.00 0.00 C ATOM 900 O ASN A 54 7.360 -42.064 34.751 1.00 0.00 O ATOM 901 CB ASN A 54 9.851 -40.338 34.375 1.00 0.00 C ATOM 902 CG ASN A 54 9.487 -40.297 35.852 1.00 0.00 C ATOM 903 OD1 ASN A 54 9.489 -41.321 36.536 1.00 0.00 O ATOM 904 ND2 ASN A 54 9.183 -39.110 36.359 1.00 0.00 N ATOM 0 H ASN A 54 10.395 -40.777 32.021 1.00 0.00 H new ATOM 0 HA ASN A 54 9.937 -42.493 34.242 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.922 -40.164 34.268 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.343 -39.522 33.861 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.940 -39.024 37.346 1.00 0.00 H new ATOM 0 HD22 ASN A 54 9.192 -38.283 35.762 1.00 0.00 H new ATOM 911 N ALA A 55 7.370 -41.816 32.501 1.00 0.00 N ATOM 912 CA ALA A 55 5.933 -42.053 32.311 1.00 0.00 C ATOM 913 C ALA A 55 5.095 -40.884 32.824 1.00 0.00 C ATOM 914 O ALA A 55 3.878 -41.000 32.976 1.00 0.00 O ATOM 915 CB ALA A 55 5.501 -43.366 32.964 1.00 0.00 C ATOM 0 H ALA A 55 7.868 -41.604 31.637 1.00 0.00 H new ATOM 0 HA ALA A 55 5.756 -42.135 31.239 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.433 -43.516 32.808 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.053 -44.193 32.517 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.709 -43.326 34.033 1.00 0.00 H new ATOM 921 N LYS A 56 5.752 -39.751 33.062 1.00 0.00 N ATOM 922 CA LYS A 56 5.074 -38.542 33.528 1.00 0.00 C ATOM 923 C LYS A 56 4.330 -37.862 32.374 1.00 0.00 C ATOM 924 O LYS A 56 3.318 -37.189 32.578 1.00 0.00 O ATOM 925 CB LYS A 56 6.092 -37.574 34.152 1.00 0.00 C ATOM 926 CG LYS A 56 5.486 -36.267 34.668 1.00 0.00 C ATOM 927 CD LYS A 56 4.457 -36.505 35.775 1.00 0.00 C ATOM 928 CE LYS A 56 3.812 -35.201 36.238 1.00 0.00 C ATOM 929 NZ LYS A 56 4.809 -34.247 36.794 1.00 0.00 N ATOM 0 H LYS A 56 6.759 -39.644 32.939 1.00 0.00 H new ATOM 0 HA LYS A 56 4.344 -38.823 34.287 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.596 -38.078 34.977 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.854 -37.339 33.409 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.281 -35.624 35.045 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.012 -35.737 33.842 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.685 -37.184 35.414 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.940 -36.993 36.622 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.295 -34.735 35.399 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.059 -35.419 36.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.314 -33.444 37.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.389 -34.729 37.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.421 -33.899 36.029 1.00 0.00 H new ATOM 943 N PHE A 57 4.845 -38.045 31.160 1.00 0.00 N ATOM 944 CA PHE A 57 4.255 -37.437 29.968 1.00 0.00 C ATOM 945 C PHE A 57 3.934 -38.511 28.931 1.00 0.00 C ATOM 946 O PHE A 57 4.731 -39.424 28.704 1.00 0.00 O ATOM 947 CB PHE A 57 5.209 -36.399 29.359 1.00 0.00 C ATOM 948 CG PHE A 57 5.593 -35.291 30.308 1.00 0.00 C ATOM 949 CD1 PHE A 57 4.688 -34.291 30.630 1.00 0.00 C ATOM 950 CD2 PHE A 57 6.857 -35.254 30.880 1.00 0.00 C ATOM 951 CE1 PHE A 57 5.035 -33.277 31.503 1.00 0.00 C ATOM 952 CE2 PHE A 57 7.208 -34.243 31.753 1.00 0.00 C ATOM 953 CZ PHE A 57 6.297 -33.253 32.064 1.00 0.00 C ATOM 0 H PHE A 57 5.673 -38.612 30.975 1.00 0.00 H new ATOM 0 HA PHE A 57 3.333 -36.935 30.263 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.114 -36.905 29.022 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.740 -35.963 28.477 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.700 -34.305 30.194 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.574 -36.025 30.640 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.320 -32.505 31.746 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.195 -34.227 32.192 1.00 0.00 H new ATOM 0 HZ PHE A 57 6.571 -32.461 32.745 1.00 0.00 H new ATOM 963 N TYR A 58 2.765 -38.399 28.314 1.00 0.00 N ATOM 964 CA TYR A 58 2.325 -39.342 27.291 1.00 0.00 C ATOM 965 C TYR A 58 2.162 -38.608 25.963 1.00 0.00 C ATOM 966 O TYR A 58 1.340 -37.697 25.847 1.00 0.00 O ATOM 967 CB TYR A 58 0.997 -39.994 27.707 1.00 0.00 C ATOM 968 CG TYR A 58 1.018 -40.567 29.113 1.00 0.00 C ATOM 969 CD1 TYR A 58 1.529 -41.836 29.367 1.00 0.00 C ATOM 970 CD2 TYR A 58 0.527 -39.833 30.188 1.00 0.00 C ATOM 971 CE1 TYR A 58 1.550 -42.353 30.650 1.00 0.00 C ATOM 972 CE2 TYR A 58 0.545 -40.344 31.470 1.00 0.00 C ATOM 973 CZ TYR A 58 1.057 -41.602 31.696 1.00 0.00 C ATOM 974 OH TYR A 58 1.073 -42.114 32.974 1.00 0.00 O ATOM 0 H TYR A 58 2.096 -37.654 28.507 1.00 0.00 H new ATOM 0 HA TYR A 58 3.073 -40.127 27.178 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.200 -39.254 27.637 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.756 -40.790 27.002 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.915 -42.427 28.550 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.125 -38.846 30.016 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.950 -43.340 30.831 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.159 -39.760 32.292 1.00 0.00 H new ATOM 0 HH TYR A 58 1.938 -41.922 33.392 1.00 0.00 H new ATOM 984 N SER A 59 2.963 -38.987 24.973 1.00 0.00 N ATOM 985 CA SER A 59 2.932 -38.333 23.672 1.00 0.00 C ATOM 986 C SER A 59 1.929 -39.026 22.749 1.00 0.00 C ATOM 987 O SER A 59 2.093 -40.200 22.395 1.00 0.00 O ATOM 988 CB SER A 59 4.337 -38.337 23.050 1.00 0.00 C ATOM 989 OG SER A 59 4.395 -37.534 21.883 1.00 0.00 O ATOM 0 H SER A 59 3.642 -39.745 25.048 1.00 0.00 H new ATOM 0 HA SER A 59 2.612 -37.299 23.804 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.059 -37.971 23.780 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.623 -39.359 22.803 1.00 0.00 H new ATOM 0 HG SER A 59 5.303 -37.558 21.514 1.00 0.00 H new ATOM 995 N PHE A 60 0.877 -38.298 22.385 1.00 0.00 N ATOM 996 CA PHE A 60 -0.126 -38.786 21.448 1.00 0.00 C ATOM 997 C PHE A 60 0.066 -38.113 20.094 1.00 0.00 C ATOM 998 O PHE A 60 0.680 -37.047 20.002 1.00 0.00 O ATOM 999 CB PHE A 60 -1.543 -38.503 21.963 1.00 0.00 C ATOM 1000 CG PHE A 60 -1.903 -39.256 23.219 1.00 0.00 C ATOM 1001 CD1 PHE A 60 -2.302 -40.583 23.154 1.00 0.00 C ATOM 1002 CD2 PHE A 60 -1.846 -38.636 24.460 1.00 0.00 C ATOM 1003 CE1 PHE A 60 -2.637 -41.277 24.301 1.00 0.00 C ATOM 1004 CE2 PHE A 60 -2.182 -39.327 25.609 1.00 0.00 C ATOM 1005 CZ PHE A 60 -2.577 -40.648 25.529 1.00 0.00 C ATOM 0 H PHE A 60 0.698 -37.356 22.731 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.003 -39.864 21.346 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.643 -37.434 22.152 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.260 -38.757 21.182 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -2.351 -41.079 22.196 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.536 -37.604 24.528 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -2.945 -42.310 24.237 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -2.136 -38.834 26.569 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.839 -41.189 26.426 1.00 0.00 H new ATOM 1015 N ASN A 61 -0.467 -38.732 19.053 1.00 0.00 N ATOM 1016 CA ASN A 61 -0.323 -38.226 17.696 1.00 0.00 C ATOM 1017 C ASN A 61 -1.680 -38.197 17.003 1.00 0.00 C ATOM 1018 O ASN A 61 -2.348 -39.229 16.896 1.00 0.00 O ATOM 1019 CB ASN A 61 0.646 -39.109 16.902 1.00 0.00 C ATOM 1020 CG ASN A 61 0.969 -38.534 15.537 1.00 0.00 C ATOM 1021 OD1 ASN A 61 1.938 -37.798 15.382 1.00 0.00 O ATOM 1022 ND2 ASN A 61 0.157 -38.855 14.544 1.00 0.00 N ATOM 0 H ASN A 61 -1.008 -39.594 19.123 1.00 0.00 H new ATOM 0 HA ASN A 61 0.077 -37.213 17.741 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.569 -39.231 17.469 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.212 -40.102 16.781 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.326 -38.487 13.608 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.638 -39.470 14.714 1.00 0.00 H new ATOM 1029 N VAL A 62 -2.082 -37.020 16.537 1.00 0.00 N ATOM 1030 CA VAL A 62 -3.360 -36.852 15.855 1.00 0.00 C ATOM 1031 C VAL A 62 -3.137 -36.309 14.448 1.00 0.00 C ATOM 1032 O VAL A 62 -2.599 -35.219 14.277 1.00 0.00 O ATOM 1033 CB VAL A 62 -4.290 -35.884 16.630 1.00 0.00 C ATOM 1034 CG1 VAL A 62 -5.602 -35.667 15.876 1.00 0.00 C ATOM 1035 CG2 VAL A 62 -4.552 -36.398 18.047 1.00 0.00 C ATOM 0 H VAL A 62 -1.537 -36.162 16.620 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.838 -37.830 15.804 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.785 -34.921 16.709 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.237 -34.984 16.440 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.392 -35.240 14.895 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.114 -36.622 15.754 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.207 -35.702 18.571 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.029 -37.377 17.997 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.607 -36.482 18.584 1.00 0.00 H new ATOM 1045 N SER A 63 -3.549 -37.073 13.448 1.00 0.00 N ATOM 1046 CA SER A 63 -3.440 -36.649 12.057 1.00 0.00 C ATOM 1047 C SER A 63 -4.837 -36.405 11.487 1.00 0.00 C ATOM 1048 O SER A 63 -5.584 -37.353 11.246 1.00 0.00 O ATOM 1049 CB SER A 63 -2.715 -37.725 11.239 1.00 0.00 C ATOM 1050 OG SER A 63 -1.540 -38.173 11.901 1.00 0.00 O ATOM 0 H SER A 63 -3.965 -37.996 13.573 1.00 0.00 H new ATOM 0 HA SER A 63 -2.866 -35.724 12.004 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.384 -38.569 11.070 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.453 -37.325 10.259 1.00 0.00 H new ATOM 0 HG SER A 63 -0.871 -37.457 11.900 1.00 0.00 H new ATOM 1056 N MET A 64 -5.198 -35.142 11.287 1.00 0.00 N ATOM 1057 CA MET A 64 -6.531 -34.799 10.795 1.00 0.00 C ATOM 1058 C MET A 64 -6.431 -33.858 9.606 1.00 0.00 C ATOM 1059 O MET A 64 -5.423 -33.169 9.433 1.00 0.00 O ATOM 1060 CB MET A 64 -7.378 -34.158 11.904 1.00 0.00 C ATOM 1061 CG MET A 64 -6.900 -32.778 12.336 1.00 0.00 C ATOM 1062 SD MET A 64 -7.942 -32.062 13.619 1.00 0.00 S ATOM 1063 CE MET A 64 -9.554 -32.097 12.831 1.00 0.00 C ATOM 0 H MET A 64 -4.590 -34.341 11.457 1.00 0.00 H new ATOM 0 HA MET A 64 -7.020 -35.720 10.478 1.00 0.00 H new ATOM 0 HB2 MET A 64 -8.409 -34.082 11.560 1.00 0.00 H new ATOM 0 HB3 MET A 64 -7.380 -34.818 12.772 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.875 -32.849 12.701 1.00 0.00 H new ATOM 0 HG3 MET A 64 -6.885 -32.114 11.471 1.00 0.00 H new ATOM 0 HE1 MET A 64 -10.280 -31.588 13.465 1.00 0.00 H new ATOM 0 HE2 MET A 64 -9.498 -31.593 11.866 1.00 0.00 H new ATOM 0 HE3 MET A 64 -9.864 -33.131 12.683 1.00 0.00 H new ATOM 1073 N GLU A 65 -7.475 -33.837 8.788 1.00 0.00 N ATOM 1074 CA GLU A 65 -7.499 -32.998 7.596 1.00 0.00 C ATOM 1075 C GLU A 65 -7.614 -31.525 7.968 1.00 0.00 C ATOM 1076 O GLU A 65 -8.295 -31.167 8.932 1.00 0.00 O ATOM 1077 CB GLU A 65 -8.685 -33.361 6.699 1.00 0.00 C ATOM 1078 CG GLU A 65 -8.840 -34.845 6.412 1.00 0.00 C ATOM 1079 CD GLU A 65 -10.107 -35.136 5.628 1.00 0.00 C ATOM 1080 OE1 GLU A 65 -11.200 -34.797 6.127 1.00 0.00 O ATOM 1081 OE2 GLU A 65 -10.012 -35.682 4.504 1.00 0.00 O ATOM 0 H GLU A 65 -8.319 -34.393 8.928 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.564 -33.171 7.063 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.600 -32.999 7.167 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.581 -32.832 5.752 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.975 -35.199 5.851 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.858 -35.397 7.351 1.00 0.00 H new ATOM 1088 N VAL A 66 -6.936 -30.688 7.205 1.00 0.00 N ATOM 1089 CA VAL A 66 -7.140 -29.249 7.251 1.00 0.00 C ATOM 1090 C VAL A 66 -7.383 -28.750 5.830 1.00 0.00 C ATOM 1091 O VAL A 66 -6.605 -29.052 4.920 1.00 0.00 O ATOM 1092 CB VAL A 66 -5.932 -28.505 7.886 1.00 0.00 C ATOM 1093 CG1 VAL A 66 -5.834 -28.811 9.380 1.00 0.00 C ATOM 1094 CG2 VAL A 66 -4.625 -28.870 7.179 1.00 0.00 C ATOM 0 H VAL A 66 -6.227 -30.985 6.535 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.003 -29.040 7.883 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.097 -27.435 7.761 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.982 -28.280 9.805 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.748 -28.488 9.878 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.702 -29.883 9.524 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.798 -28.335 7.645 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.455 -29.943 7.261 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.691 -28.592 6.127 1.00 0.00 H new ATOM 1104 N SER A 67 -8.477 -28.025 5.632 1.00 0.00 N ATOM 1105 CA SER A 67 -8.851 -27.542 4.306 1.00 0.00 C ATOM 1106 C SER A 67 -8.374 -26.111 4.108 1.00 0.00 C ATOM 1107 O SER A 67 -8.411 -25.584 2.996 1.00 0.00 O ATOM 1108 CB SER A 67 -10.372 -27.639 4.110 1.00 0.00 C ATOM 1109 OG SER A 67 -10.738 -27.374 2.762 1.00 0.00 O ATOM 0 H SER A 67 -9.123 -27.757 6.374 1.00 0.00 H new ATOM 0 HA SER A 67 -8.368 -28.171 3.558 1.00 0.00 H new ATOM 0 HB2 SER A 67 -10.714 -28.634 4.393 1.00 0.00 H new ATOM 0 HB3 SER A 67 -10.872 -26.930 4.771 1.00 0.00 H new ATOM 0 HG SER A 67 -10.095 -26.750 2.365 1.00 0.00 H new ATOM 1115 N ASN A 68 -7.936 -25.487 5.194 1.00 0.00 N ATOM 1116 CA ASN A 68 -7.361 -24.153 5.132 1.00 0.00 C ATOM 1117 C ASN A 68 -6.510 -23.887 6.369 1.00 0.00 C ATOM 1118 O ASN A 68 -6.413 -24.733 7.264 1.00 0.00 O ATOM 1119 CB ASN A 68 -8.458 -23.087 5.000 1.00 0.00 C ATOM 1120 CG ASN A 68 -9.407 -23.077 6.182 1.00 0.00 C ATOM 1121 OD1 ASN A 68 -9.207 -22.343 7.146 1.00 0.00 O ATOM 1122 ND2 ASN A 68 -10.438 -23.901 6.123 1.00 0.00 N ATOM 0 H ASN A 68 -7.969 -25.887 6.132 1.00 0.00 H new ATOM 0 HA ASN A 68 -6.726 -24.097 4.248 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -7.995 -22.105 4.902 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -9.024 -23.265 4.086 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.102 -23.943 6.896 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.570 -24.495 5.304 1.00 0.00 H new ATOM 1129 N GLU A 69 -5.919 -22.699 6.423 1.00 0.00 N ATOM 1130 CA GLU A 69 -4.968 -22.351 7.478 1.00 0.00 C ATOM 1131 C GLU A 69 -5.684 -21.996 8.782 1.00 0.00 C ATOM 1132 O GLU A 69 -5.149 -22.217 9.874 1.00 0.00 O ATOM 1133 CB GLU A 69 -4.077 -21.189 7.024 1.00 0.00 C ATOM 1134 CG GLU A 69 -2.959 -20.852 8.002 1.00 0.00 C ATOM 1135 CD GLU A 69 -1.978 -19.840 7.441 1.00 0.00 C ATOM 1136 OE1 GLU A 69 -1.160 -20.221 6.575 1.00 0.00 O ATOM 1137 OE2 GLU A 69 -2.012 -18.664 7.864 1.00 0.00 O ATOM 0 H GLU A 69 -6.082 -21.955 5.745 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.344 -23.224 7.670 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.639 -21.436 6.057 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.697 -20.305 6.877 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.392 -20.461 8.922 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.424 -21.764 8.264 1.00 0.00 H new ATOM 1144 N SER A 70 -6.895 -21.455 8.669 1.00 0.00 N ATOM 1145 CA SER A 70 -7.680 -21.097 9.846 1.00 0.00 C ATOM 1146 C SER A 70 -7.918 -22.337 10.706 1.00 0.00 C ATOM 1147 O SER A 70 -7.754 -22.296 11.925 1.00 0.00 O ATOM 1148 CB SER A 70 -9.015 -20.453 9.438 1.00 0.00 C ATOM 1149 OG SER A 70 -9.758 -20.034 10.573 1.00 0.00 O ATOM 0 H SER A 70 -7.351 -21.256 7.779 1.00 0.00 H new ATOM 0 HA SER A 70 -7.122 -20.365 10.430 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.825 -19.597 8.790 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.603 -21.166 8.860 1.00 0.00 H new ATOM 0 HG SER A 70 -10.600 -19.627 10.281 1.00 0.00 H new ATOM 1155 N GLU A 71 -8.276 -23.446 10.055 1.00 0.00 N ATOM 1156 CA GLU A 71 -8.469 -24.716 10.752 1.00 0.00 C ATOM 1157 C GLU A 71 -7.170 -25.158 11.419 1.00 0.00 C ATOM 1158 O GLU A 71 -7.175 -25.607 12.560 1.00 0.00 O ATOM 1159 CB GLU A 71 -8.960 -25.802 9.788 1.00 0.00 C ATOM 1160 CG GLU A 71 -10.347 -25.539 9.213 1.00 0.00 C ATOM 1161 CD GLU A 71 -10.807 -26.650 8.283 1.00 0.00 C ATOM 1162 OE1 GLU A 71 -10.388 -26.648 7.109 1.00 0.00 O ATOM 1163 OE2 GLU A 71 -11.577 -27.532 8.726 1.00 0.00 O ATOM 0 H GLU A 71 -8.437 -23.489 9.049 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.229 -24.568 11.519 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.249 -25.893 8.967 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.969 -26.759 10.309 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.062 -25.432 10.029 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.339 -24.594 8.670 1.00 0.00 H new ATOM 1170 N ARG A 72 -6.058 -25.003 10.703 1.00 0.00 N ATOM 1171 CA ARG A 72 -4.741 -25.370 11.225 1.00 0.00 C ATOM 1172 C ARG A 72 -4.481 -24.678 12.565 1.00 0.00 C ATOM 1173 O ARG A 72 -4.144 -25.327 13.558 1.00 0.00 O ATOM 1174 CB ARG A 72 -3.651 -24.984 10.213 1.00 0.00 C ATOM 1175 CG ARG A 72 -2.226 -25.090 10.756 1.00 0.00 C ATOM 1176 CD ARG A 72 -1.203 -24.528 9.772 1.00 0.00 C ATOM 1177 NE ARG A 72 0.130 -24.424 10.371 1.00 0.00 N ATOM 1178 CZ ARG A 72 1.088 -23.599 9.938 1.00 0.00 C ATOM 1179 NH1 ARG A 72 0.887 -22.838 8.869 1.00 0.00 N ATOM 1180 NH2 ARG A 72 2.250 -23.558 10.573 1.00 0.00 N ATOM 0 H ARG A 72 -6.042 -24.624 9.756 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.718 -26.448 11.383 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -3.742 -25.625 9.336 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.826 -23.961 9.880 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.156 -24.551 11.701 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.993 -26.134 10.966 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.156 -25.168 8.891 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.527 -23.544 9.434 1.00 0.00 H new ATOM 0 HE ARG A 72 0.341 -25.021 11.171 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.003 -22.881 8.373 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.623 -22.211 8.544 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.408 -24.153 11.386 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.986 -22.931 10.249 1.00 0.00 H new ATOM 1194 N ASN A 73 -4.660 -23.361 12.586 1.00 0.00 N ATOM 1195 CA ASN A 73 -4.401 -22.569 13.787 1.00 0.00 C ATOM 1196 C ASN A 73 -5.474 -22.815 14.847 1.00 0.00 C ATOM 1197 O ASN A 73 -5.182 -22.828 16.043 1.00 0.00 O ATOM 1198 CB ASN A 73 -4.321 -21.071 13.449 1.00 0.00 C ATOM 1199 CG ASN A 73 -3.061 -20.709 12.676 1.00 0.00 C ATOM 1200 OD1 ASN A 73 -2.012 -20.454 13.265 1.00 0.00 O ATOM 1201 ND2 ASN A 73 -3.158 -20.660 11.356 1.00 0.00 N ATOM 0 H ASN A 73 -4.983 -22.818 11.785 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.439 -22.884 14.191 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.195 -20.788 12.863 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.355 -20.492 14.372 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.346 -20.404 10.794 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.045 -20.878 10.901 1.00 0.00 H new ATOM 1208 N GLU A 74 -6.709 -23.018 14.403 1.00 0.00 N ATOM 1209 CA GLU A 74 -7.833 -23.228 15.312 1.00 0.00 C ATOM 1210 C GLU A 74 -7.683 -24.543 16.079 1.00 0.00 C ATOM 1211 O GLU A 74 -7.751 -24.566 17.308 1.00 0.00 O ATOM 1212 CB GLU A 74 -9.158 -23.213 14.537 1.00 0.00 C ATOM 1213 CG GLU A 74 -10.373 -23.541 15.396 1.00 0.00 C ATOM 1214 CD GLU A 74 -11.690 -23.379 14.657 1.00 0.00 C ATOM 1215 OE1 GLU A 74 -12.020 -22.241 14.263 1.00 0.00 O ATOM 1216 OE2 GLU A 74 -12.400 -24.386 14.471 1.00 0.00 O ATOM 0 H GLU A 74 -6.959 -23.042 13.415 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.838 -22.412 16.035 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.296 -22.229 14.089 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -9.098 -23.930 13.718 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.289 -24.567 15.756 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.374 -22.895 16.274 1.00 0.00 H new ATOM 1223 N ILE A 75 -7.470 -25.625 15.342 1.00 0.00 N ATOM 1224 CA ILE A 75 -7.345 -26.959 15.926 1.00 0.00 C ATOM 1225 C ILE A 75 -6.209 -27.002 16.943 1.00 0.00 C ATOM 1226 O ILE A 75 -6.347 -27.578 18.023 1.00 0.00 O ATOM 1227 CB ILE A 75 -7.110 -28.024 14.824 1.00 0.00 C ATOM 1228 CG1 ILE A 75 -8.306 -28.045 13.857 1.00 0.00 C ATOM 1229 CG2 ILE A 75 -6.881 -29.409 15.435 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -8.077 -28.861 12.605 1.00 0.00 C ATOM 0 H ILE A 75 -7.379 -25.606 14.326 1.00 0.00 H new ATOM 0 HA ILE A 75 -8.280 -27.187 16.438 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.211 -27.757 14.269 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.176 -28.441 14.381 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.545 -27.021 13.571 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -6.719 -30.136 14.639 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.006 -29.380 16.084 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.755 -29.699 16.018 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -8.968 -28.823 11.978 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.229 -28.453 12.055 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.869 -29.896 12.878 1.00 0.00 H new ATOM 1242 N PHE A 76 -5.095 -26.365 16.594 1.00 0.00 N ATOM 1243 CA PHE A 76 -3.942 -26.275 17.487 1.00 0.00 C ATOM 1244 C PHE A 76 -4.359 -25.682 18.836 1.00 0.00 C ATOM 1245 O PHE A 76 -3.918 -26.136 19.895 1.00 0.00 O ATOM 1246 CB PHE A 76 -2.846 -25.418 16.839 1.00 0.00 C ATOM 1247 CG PHE A 76 -1.602 -25.272 17.682 1.00 0.00 C ATOM 1248 CD1 PHE A 76 -0.647 -26.280 17.712 1.00 0.00 C ATOM 1249 CD2 PHE A 76 -1.390 -24.130 18.444 1.00 0.00 C ATOM 1250 CE1 PHE A 76 0.491 -26.149 18.483 1.00 0.00 C ATOM 1251 CE2 PHE A 76 -0.253 -23.996 19.215 1.00 0.00 C ATOM 1252 CZ PHE A 76 0.689 -25.006 19.235 1.00 0.00 C ATOM 0 H PHE A 76 -4.965 -25.901 15.695 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.548 -27.277 17.660 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -2.573 -25.859 15.880 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.250 -24.427 16.630 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.796 -27.175 17.126 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.124 -23.337 18.433 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.227 -26.940 18.499 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.100 -23.102 19.802 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.579 -24.903 19.838 1.00 0.00 H new ATOM 1262 N GLN A 77 -5.227 -24.673 18.781 1.00 0.00 N ATOM 1263 CA GLN A 77 -5.736 -24.014 19.982 1.00 0.00 C ATOM 1264 C GLN A 77 -6.692 -24.939 20.735 1.00 0.00 C ATOM 1265 O GLN A 77 -6.618 -25.057 21.960 1.00 0.00 O ATOM 1266 CB GLN A 77 -6.449 -22.710 19.605 1.00 0.00 C ATOM 1267 CG GLN A 77 -5.550 -21.707 18.887 1.00 0.00 C ATOM 1268 CD GLN A 77 -6.314 -20.508 18.354 1.00 0.00 C ATOM 1269 OE1 GLN A 77 -7.327 -20.097 18.918 1.00 0.00 O ATOM 1270 NE2 GLN A 77 -5.835 -19.937 17.259 1.00 0.00 N ATOM 0 H GLN A 77 -5.595 -24.292 17.909 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.894 -23.781 20.634 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.301 -22.943 18.967 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.845 -22.248 20.509 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.776 -21.363 19.574 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.044 -22.206 18.061 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.992 -20.306 16.819 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -6.309 -19.129 16.856 1.00 0.00 H new ATOM 1279 N LYS A 78 -7.571 -25.608 19.987 1.00 0.00 N ATOM 1280 CA LYS A 78 -8.556 -26.526 20.570 1.00 0.00 C ATOM 1281 C LYS A 78 -7.862 -27.584 21.425 1.00 0.00 C ATOM 1282 O LYS A 78 -8.307 -27.905 22.530 1.00 0.00 O ATOM 1283 CB LYS A 78 -9.362 -27.223 19.464 1.00 0.00 C ATOM 1284 CG LYS A 78 -10.130 -26.283 18.543 1.00 0.00 C ATOM 1285 CD LYS A 78 -11.203 -25.496 19.285 1.00 0.00 C ATOM 1286 CE LYS A 78 -12.047 -24.670 18.324 1.00 0.00 C ATOM 1287 NZ LYS A 78 -12.761 -25.525 17.334 1.00 0.00 N ATOM 0 H LYS A 78 -7.622 -25.532 18.971 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.230 -25.941 21.196 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.681 -27.823 18.861 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.068 -27.912 19.928 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.433 -25.589 18.073 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.594 -26.860 17.743 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.844 -26.183 19.837 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.734 -24.839 20.017 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.773 -24.086 18.889 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.408 -23.961 17.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.486 -24.960 16.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.081 -25.892 16.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.215 -26.321 17.826 1.00 0.00 H new ATOM 1301 N ILE A 79 -6.762 -28.111 20.897 1.00 0.00 N ATOM 1302 CA ILE A 79 -5.982 -29.144 21.571 1.00 0.00 C ATOM 1303 C ILE A 79 -5.446 -28.643 22.914 1.00 0.00 C ATOM 1304 O ILE A 79 -5.255 -29.416 23.850 1.00 0.00 O ATOM 1305 CB ILE A 79 -4.801 -29.616 20.682 1.00 0.00 C ATOM 1306 CG1 ILE A 79 -5.328 -30.220 19.367 1.00 0.00 C ATOM 1307 CG2 ILE A 79 -3.932 -30.627 21.426 1.00 0.00 C ATOM 1308 CD1 ILE A 79 -4.235 -30.654 18.407 1.00 0.00 C ATOM 0 H ILE A 79 -6.386 -27.834 19.990 1.00 0.00 H new ATOM 0 HA ILE A 79 -6.648 -29.988 21.752 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.184 -28.750 20.444 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.956 -31.080 19.600 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.963 -29.486 18.871 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.111 -30.944 20.783 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.530 -30.167 22.328 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.534 -31.494 21.698 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -4.686 -31.069 17.505 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.620 -29.794 18.143 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.613 -31.412 18.883 1.00 0.00 H new ATOM 1320 N SER A 80 -5.214 -27.345 23.003 1.00 0.00 N ATOM 1321 CA SER A 80 -4.631 -26.744 24.197 1.00 0.00 C ATOM 1322 C SER A 80 -5.694 -26.478 25.273 1.00 0.00 C ATOM 1323 O SER A 80 -5.370 -26.041 26.378 1.00 0.00 O ATOM 1324 CB SER A 80 -3.925 -25.440 23.806 1.00 0.00 C ATOM 1325 OG SER A 80 -3.191 -24.890 24.891 1.00 0.00 O ATOM 0 H SER A 80 -5.421 -26.680 22.258 1.00 0.00 H new ATOM 0 HA SER A 80 -3.910 -27.442 24.623 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.251 -25.628 22.970 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.664 -24.716 23.463 1.00 0.00 H new ATOM 0 HG SER A 80 -3.681 -25.039 25.726 1.00 0.00 H new ATOM 1331 N GLN A 81 -6.955 -26.761 24.955 1.00 0.00 N ATOM 1332 CA GLN A 81 -8.066 -26.450 25.859 1.00 0.00 C ATOM 1333 C GLN A 81 -8.418 -27.635 26.765 1.00 0.00 C ATOM 1334 O GLN A 81 -9.343 -27.546 27.575 1.00 0.00 O ATOM 1335 CB GLN A 81 -9.304 -26.042 25.047 1.00 0.00 C ATOM 1336 CG GLN A 81 -9.077 -24.844 24.132 1.00 0.00 C ATOM 1337 CD GLN A 81 -10.292 -24.502 23.277 1.00 0.00 C ATOM 1338 OE1 GLN A 81 -10.512 -23.342 22.931 1.00 0.00 O ATOM 1339 NE2 GLN A 81 -11.084 -25.507 22.922 1.00 0.00 N ATOM 0 H GLN A 81 -7.236 -27.204 24.080 1.00 0.00 H new ATOM 0 HA GLN A 81 -7.747 -25.624 26.495 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.627 -26.891 24.444 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.118 -25.812 25.735 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -8.812 -23.978 24.738 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -8.228 -25.049 23.480 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.871 -26.457 23.227 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.905 -25.329 22.344 1.00 0.00 H new ATOM 1348 N LEU A 82 -7.684 -28.741 26.637 1.00 0.00 N ATOM 1349 CA LEU A 82 -8.008 -29.956 27.397 1.00 0.00 C ATOM 1350 C LEU A 82 -7.563 -29.829 28.849 1.00 0.00 C ATOM 1351 O LEU A 82 -8.079 -30.536 29.716 1.00 0.00 O ATOM 1352 CB LEU A 82 -7.347 -31.209 26.783 1.00 0.00 C ATOM 1353 CG LEU A 82 -7.140 -31.174 25.264 1.00 0.00 C ATOM 1354 CD1 LEU A 82 -6.443 -32.442 24.780 1.00 0.00 C ATOM 1355 CD2 LEU A 82 -8.466 -30.968 24.542 1.00 0.00 C ATOM 0 H LEU A 82 -6.872 -28.824 26.025 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.091 -30.070 27.353 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.378 -31.357 27.260 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.959 -32.077 27.028 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.494 -30.328 25.029 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.308 -32.393 23.700 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.470 -32.530 25.264 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.052 -33.310 25.030 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.295 -30.946 23.466 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.144 -31.786 24.785 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.909 -30.024 24.858 1.00 0.00 H new ATOM 1367 N ASP A 83 -6.581 -28.951 29.096 1.00 0.00 N ATOM 1368 CA ASP A 83 -5.918 -28.829 30.409 1.00 0.00 C ATOM 1369 C ASP A 83 -4.985 -30.021 30.653 1.00 0.00 C ATOM 1370 O ASP A 83 -3.876 -29.864 31.165 1.00 0.00 O ATOM 1371 CB ASP A 83 -6.939 -28.701 31.557 1.00 0.00 C ATOM 1372 CG ASP A 83 -6.291 -28.753 32.937 1.00 0.00 C ATOM 1373 OD1 ASP A 83 -5.759 -27.719 33.391 1.00 0.00 O ATOM 1374 OD2 ASP A 83 -6.318 -29.828 33.575 1.00 0.00 O ATOM 0 H ASP A 83 -6.222 -28.304 28.394 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.326 -27.914 30.392 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.481 -27.761 31.451 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.672 -29.503 31.475 1.00 0.00 H new ATOM 1379 N LYS A 84 -5.448 -31.207 30.269 1.00 0.00 N ATOM 1380 CA LYS A 84 -4.675 -32.443 30.375 1.00 0.00 C ATOM 1381 C LYS A 84 -3.361 -32.348 29.600 1.00 0.00 C ATOM 1382 O LYS A 84 -2.375 -33.005 29.939 1.00 0.00 O ATOM 1383 CB LYS A 84 -5.505 -33.606 29.826 1.00 0.00 C ATOM 1384 CG LYS A 84 -6.852 -33.783 30.519 1.00 0.00 C ATOM 1385 CD LYS A 84 -7.697 -34.857 29.842 1.00 0.00 C ATOM 1386 CE LYS A 84 -8.984 -35.134 30.613 1.00 0.00 C ATOM 1387 NZ LYS A 84 -9.765 -36.257 30.028 1.00 0.00 N ATOM 0 H LYS A 84 -6.378 -31.340 29.872 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.438 -32.609 31.426 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.673 -33.449 28.761 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.932 -34.528 29.926 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.692 -34.051 31.563 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.392 -32.836 30.512 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -7.942 -34.542 28.828 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -7.118 -35.777 29.759 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.740 -35.366 31.650 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.599 -34.234 30.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.203 -36.810 30.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.507 -35.877 29.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.131 -36.870 29.476 1.00 0.00 H new ATOM 1401 N VAL A 85 -3.359 -31.536 28.552 1.00 0.00 N ATOM 1402 CA VAL A 85 -2.189 -31.377 27.699 1.00 0.00 C ATOM 1403 C VAL A 85 -1.231 -30.344 28.291 1.00 0.00 C ATOM 1404 O VAL A 85 -1.663 -29.327 28.840 1.00 0.00 O ATOM 1405 CB VAL A 85 -2.597 -30.957 26.264 1.00 0.00 C ATOM 1406 CG1 VAL A 85 -3.314 -29.609 26.270 1.00 0.00 C ATOM 1407 CG2 VAL A 85 -1.386 -30.931 25.332 1.00 0.00 C ATOM 0 H VAL A 85 -4.161 -30.973 28.270 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.683 -32.341 27.645 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.293 -31.704 25.884 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.589 -29.339 25.250 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.213 -29.678 26.882 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.652 -28.847 26.682 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.702 -30.633 24.332 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.653 -30.218 25.708 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.938 -31.924 25.290 1.00 0.00 H new ATOM 1417 N VAL A 86 0.066 -30.619 28.198 1.00 0.00 N ATOM 1418 CA VAL A 86 1.090 -29.704 28.701 1.00 0.00 C ATOM 1419 C VAL A 86 1.899 -29.111 27.554 1.00 0.00 C ATOM 1420 O VAL A 86 2.419 -27.998 27.657 1.00 0.00 O ATOM 1421 CB VAL A 86 2.050 -30.411 29.691 1.00 0.00 C ATOM 1422 CG1 VAL A 86 1.306 -30.822 30.958 1.00 0.00 C ATOM 1423 CG2 VAL A 86 2.718 -31.620 29.032 1.00 0.00 C ATOM 0 H VAL A 86 0.436 -31.471 27.777 1.00 0.00 H new ATOM 0 HA VAL A 86 0.570 -28.905 29.229 1.00 0.00 H new ATOM 0 HB VAL A 86 2.833 -29.706 29.970 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.996 -31.317 31.641 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.891 -29.937 31.440 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.498 -31.507 30.700 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.387 -32.100 29.746 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.954 -32.331 28.716 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.289 -31.292 28.164 1.00 0.00 H new ATOM 1433 N GLN A 87 1.996 -29.854 26.457 1.00 0.00 N ATOM 1434 CA GLN A 87 2.786 -29.430 25.308 1.00 0.00 C ATOM 1435 C GLN A 87 2.077 -29.797 24.006 1.00 0.00 C ATOM 1436 O GLN A 87 1.759 -30.963 23.765 1.00 0.00 O ATOM 1437 CB GLN A 87 4.186 -30.065 25.364 1.00 0.00 C ATOM 1438 CG GLN A 87 5.060 -29.771 24.147 1.00 0.00 C ATOM 1439 CD GLN A 87 5.259 -28.287 23.891 1.00 0.00 C ATOM 1440 OE1 GLN A 87 5.257 -27.474 24.814 1.00 0.00 O ATOM 1441 NE2 GLN A 87 5.441 -27.926 22.633 1.00 0.00 N ATOM 0 H GLN A 87 1.535 -30.756 26.340 1.00 0.00 H new ATOM 0 HA GLN A 87 2.896 -28.346 25.340 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.698 -29.709 26.258 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.078 -31.145 25.467 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.033 -30.242 24.286 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.608 -30.227 23.266 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.436 -28.630 21.895 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.586 -26.944 22.400 1.00 0.00 H new ATOM 1450 N THR A 88 1.823 -28.785 23.184 1.00 0.00 N ATOM 1451 CA THR A 88 1.168 -28.964 21.896 1.00 0.00 C ATOM 1452 C THR A 88 2.142 -28.657 20.757 1.00 0.00 C ATOM 1453 O THR A 88 2.780 -27.602 20.747 1.00 0.00 O ATOM 1454 CB THR A 88 -0.072 -28.042 21.786 1.00 0.00 C ATOM 1455 OG1 THR A 88 0.280 -26.709 22.191 1.00 0.00 O ATOM 1456 CG2 THR A 88 -1.220 -28.545 22.654 1.00 0.00 C ATOM 0 H THR A 88 2.066 -27.817 23.393 1.00 0.00 H new ATOM 0 HA THR A 88 0.845 -30.002 21.818 1.00 0.00 H new ATOM 0 HB THR A 88 -0.401 -28.045 20.747 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.418 -26.151 21.397 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.073 -27.875 22.553 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.506 -29.547 22.334 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.903 -28.573 23.696 1.00 0.00 H new ATOM 1464 N LEU A 89 2.277 -29.589 19.817 1.00 0.00 N ATOM 1465 CA LEU A 89 3.122 -29.382 18.641 1.00 0.00 C ATOM 1466 C LEU A 89 2.305 -29.557 17.368 1.00 0.00 C ATOM 1467 O LEU A 89 1.207 -30.120 17.390 1.00 0.00 O ATOM 1468 CB LEU A 89 4.320 -30.348 18.610 1.00 0.00 C ATOM 1469 CG LEU A 89 5.237 -30.337 19.848 1.00 0.00 C ATOM 1470 CD1 LEU A 89 4.652 -31.198 20.966 1.00 0.00 C ATOM 1471 CD2 LEU A 89 6.644 -30.800 19.478 1.00 0.00 C ATOM 0 H LEU A 89 1.812 -30.496 19.846 1.00 0.00 H new ATOM 0 HA LEU A 89 3.509 -28.365 18.701 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.940 -31.361 18.475 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.925 -30.115 17.734 1.00 0.00 H new ATOM 0 HG LEU A 89 5.303 -29.313 20.216 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.317 -31.175 21.829 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.674 -30.810 21.251 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.547 -32.225 20.617 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.277 -30.785 20.365 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.601 -31.814 19.080 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.060 -30.132 18.724 1.00 0.00 H new