USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 872 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: B 64 GLN : amide:sc= -4.77! C(o=-4.8!,f=-4.6!) USER MOD Set 1.2: B 68 ASN : amide:sc= 0 X(o=-4.8,f=-4.6) USER MOD Set 2.1: B 25 SER OG : rot -156:sc= -2.93! USER MOD Set 2.2: B 43 THR OG1 : rot 68:sc= -0.254! USER MOD Set 3.1: A 27 SER OG : rot 55:sc= 1.32 USER MOD Set 3.2: B 27 SER OG : rot 60:sc= 1.29 USER MOD Set 4.1: A 64 GLN : amide:sc= -4.83! C(o=-4.8!,f=-4.6!) USER MOD Set 4.2: A 68 ASN : amide:sc= 0 X(o=-4.8,f=-4.6) USER MOD Set 5.1: A 25 SER OG : rot 131:sc= -3.63! USER MOD Set 5.2: A 43 THR OG1 : rot 76:sc= -0.706 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0351 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -5.07! C(o=-5.1!,f=-6.7!) USER MOD Single : A 24 GLN : amide:sc= -0.854 K(o=-0.85,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -1.92! USER MOD Single : A 38 THR OG1 : rot 18:sc= 0.815 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 147:sc= -0.309 (180deg=-1.16) USER MOD Single : A 51 CYS SG : rot -110:sc= 0.0658 USER MOD Single : A 60 GLN : amide:sc= -13.7! C(o=-14!,f=-20!) USER MOD Single : A 61 LYS NZ :NH3+ -126:sc= -0.0143 (180deg=-0.267) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= -0.0208 USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN : amide:sc= -4.96! C(o=-5!,f=-6.8!) USER MOD Single : B 24 GLN : amide:sc= -0.854 K(o=-0.85,f=0) USER MOD Single : B 29 THR OG1 : rot 180:sc= -1.93! USER MOD Single : B 38 THR OG1 : rot -14:sc= 0.803 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 146:sc= -0.307 (180deg=-1.27) USER MOD Single : B 51 CYS SG : rot -112:sc= 0.0657 USER MOD Single : B 60 GLN : amide:sc= -13.9! C(o=-14!,f=-20!) USER MOD Single : B 61 LYS NZ :NH3+ -115:sc= -0.0195 (180deg=-0.279) USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 177 N LYS A 13 15.754 -5.547 3.394 1.00 0.00 N ATOM 178 CA LYS A 13 15.457 -5.725 1.946 1.00 0.00 C ATOM 179 C LYS A 13 13.944 -5.812 1.744 1.00 0.00 C ATOM 180 O LYS A 13 13.176 -5.370 2.574 1.00 0.00 O ATOM 181 CB LYS A 13 16.125 -7.045 1.555 1.00 0.00 C ATOM 182 CG LYS A 13 17.197 -6.781 0.497 1.00 0.00 C ATOM 183 CD LYS A 13 16.788 -7.444 -0.819 1.00 0.00 C ATOM 184 CE LYS A 13 17.896 -8.394 -1.280 1.00 0.00 C ATOM 185 NZ LYS A 13 17.221 -9.709 -1.467 1.00 0.00 N ATOM 0 HA LYS A 13 15.823 -4.896 1.340 1.00 0.00 H new ATOM 0 HB2 LYS A 13 16.572 -7.512 2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 13 15.381 -7.741 1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 13 17.324 -5.708 0.352 1.00 0.00 H new ATOM 0 HG3 LYS A 13 18.157 -7.173 0.831 1.00 0.00 H new ATOM 0 HD2 LYS A 13 15.856 -7.993 -0.687 1.00 0.00 H new ATOM 0 HD3 LYS A 13 16.606 -6.685 -1.580 1.00 0.00 H new ATOM 0 HE2 LYS A 13 18.352 -8.048 -2.208 1.00 0.00 H new ATOM 0 HE3 LYS A 13 18.693 -8.461 -0.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 17.917 -10.414 -1.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 16.802 -10.016 -0.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 16.472 -9.616 -2.183 1.00 0.00 H new ATOM 199 N THR A 14 13.508 -6.374 0.653 1.00 0.00 N ATOM 200 CA THR A 14 12.046 -6.483 0.409 1.00 0.00 C ATOM 201 C THR A 14 11.763 -7.568 -0.631 1.00 0.00 C ATOM 202 O THR A 14 12.634 -7.966 -1.378 1.00 0.00 O ATOM 203 CB THR A 14 11.641 -5.116 -0.127 1.00 0.00 C ATOM 204 OG1 THR A 14 12.798 -4.419 -0.569 1.00 0.00 O ATOM 205 CG2 THR A 14 10.946 -4.314 0.974 1.00 0.00 C ATOM 0 H THR A 14 14.102 -6.762 -0.080 1.00 0.00 H new ATOM 0 HA THR A 14 11.494 -6.754 1.309 1.00 0.00 H new ATOM 0 HB THR A 14 10.954 -5.245 -0.963 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.538 -3.540 -0.915 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.658 -3.337 0.586 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.056 -4.849 1.307 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.627 -4.184 1.815 1.00 0.00 H new ATOM 213 N LEU A 15 10.552 -8.047 -0.687 1.00 0.00 N ATOM 214 CA LEU A 15 10.217 -9.101 -1.679 1.00 0.00 C ATOM 215 C LEU A 15 9.522 -8.488 -2.892 1.00 0.00 C ATOM 216 O LEU A 15 8.736 -7.571 -2.762 1.00 0.00 O ATOM 217 CB LEU A 15 9.268 -10.042 -0.945 1.00 0.00 C ATOM 218 CG LEU A 15 10.005 -10.695 0.221 1.00 0.00 C ATOM 219 CD1 LEU A 15 9.389 -10.231 1.542 1.00 0.00 C ATOM 220 CD2 LEU A 15 9.885 -12.214 0.108 1.00 0.00 C ATOM 0 H LEU A 15 9.781 -7.753 -0.088 1.00 0.00 H new ATOM 0 HA LEU A 15 11.104 -9.615 -2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.402 -9.491 -0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.895 -10.806 -1.628 1.00 0.00 H new ATOM 0 HG LEU A 15 11.056 -10.408 0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.917 -10.698 2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.473 -9.147 1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.337 -10.516 1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.411 -12.683 0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.833 -12.499 0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.325 -12.545 -0.833 1.00 0.00 H new ATOM 232 N PRO A 16 9.832 -9.029 -4.033 1.00 0.00 N ATOM 233 CA PRO A 16 9.227 -8.547 -5.287 1.00 0.00 C ATOM 234 C PRO A 16 7.850 -9.186 -5.458 1.00 0.00 C ATOM 235 O PRO A 16 7.077 -8.805 -6.309 1.00 0.00 O ATOM 236 CB PRO A 16 10.192 -9.043 -6.359 1.00 0.00 C ATOM 237 CG PRO A 16 10.878 -10.234 -5.762 1.00 0.00 C ATOM 238 CD PRO A 16 10.766 -10.132 -4.258 1.00 0.00 C ATOM 0 HA PRO A 16 9.084 -7.467 -5.324 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.660 -9.313 -7.271 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.912 -8.269 -6.627 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.418 -11.156 -6.117 1.00 0.00 H new ATOM 0 HG3 PRO A 16 11.925 -10.263 -6.065 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.395 -11.061 -3.824 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.735 -9.931 -3.801 1.00 0.00 H new ATOM 246 N ARG A 17 7.549 -10.163 -4.648 1.00 0.00 N ATOM 247 CA ARG A 17 6.233 -10.845 -4.754 1.00 0.00 C ATOM 248 C ARG A 17 6.034 -11.778 -3.553 1.00 0.00 C ATOM 249 O ARG A 17 5.825 -12.965 -3.709 1.00 0.00 O ATOM 250 CB ARG A 17 6.323 -11.653 -6.044 1.00 0.00 C ATOM 251 CG ARG A 17 5.072 -12.514 -6.188 1.00 0.00 C ATOM 252 CD ARG A 17 5.457 -13.895 -6.723 1.00 0.00 C ATOM 253 NE ARG A 17 4.869 -13.953 -8.090 1.00 0.00 N ATOM 254 CZ ARG A 17 4.876 -15.075 -8.755 1.00 0.00 C ATOM 255 NH1 ARG A 17 5.998 -15.713 -8.948 1.00 0.00 N ATOM 256 NH2 ARG A 17 3.759 -15.560 -9.228 1.00 0.00 N ATOM 0 H ARG A 17 8.162 -10.518 -3.915 1.00 0.00 H new ATOM 0 HA ARG A 17 5.396 -10.147 -4.763 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.419 -10.984 -6.899 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.212 -12.283 -6.031 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.573 -12.613 -5.224 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.365 -12.035 -6.865 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.539 -14.020 -6.753 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.062 -14.689 -6.089 1.00 0.00 H new ATOM 0 HE ARG A 17 4.461 -13.116 -8.506 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.870 -15.334 -8.579 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.003 -16.590 -9.468 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.882 -15.061 -9.077 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.764 -16.437 -9.748 1.00 0.00 H new ATOM 270 N VAL A 18 6.101 -11.255 -2.358 1.00 0.00 N ATOM 271 CA VAL A 18 5.909 -12.123 -1.151 1.00 0.00 C ATOM 272 C VAL A 18 4.745 -13.079 -1.395 1.00 0.00 C ATOM 273 O VAL A 18 4.031 -12.943 -2.363 1.00 0.00 O ATOM 274 CB VAL A 18 5.601 -11.161 0.003 1.00 0.00 C ATOM 275 CG1 VAL A 18 4.871 -9.923 -0.524 1.00 0.00 C ATOM 276 CG2 VAL A 18 4.719 -11.862 1.036 1.00 0.00 C ATOM 0 H VAL A 18 6.279 -10.270 -2.162 1.00 0.00 H new ATOM 0 HA VAL A 18 6.786 -12.731 -0.928 1.00 0.00 H new ATOM 0 HB VAL A 18 6.539 -10.856 0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.657 -9.247 0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.499 -9.414 -1.255 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.936 -10.225 -0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.502 -11.176 1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.786 -12.173 0.566 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.239 -12.737 1.425 1.00 0.00 H new ATOM 286 N ASP A 19 4.542 -14.036 -0.523 1.00 0.00 N ATOM 287 CA ASP A 19 3.412 -14.987 -0.714 1.00 0.00 C ATOM 288 C ASP A 19 2.216 -14.207 -1.252 1.00 0.00 C ATOM 289 O ASP A 19 1.310 -13.837 -0.531 1.00 0.00 O ATOM 290 CB ASP A 19 3.143 -15.543 0.678 1.00 0.00 C ATOM 291 CG ASP A 19 2.314 -16.822 0.573 1.00 0.00 C ATOM 292 OD1 ASP A 19 1.860 -17.123 -0.518 1.00 0.00 O ATOM 293 OD2 ASP A 19 2.147 -17.481 1.587 1.00 0.00 O ATOM 0 H ASP A 19 5.110 -14.197 0.309 1.00 0.00 H new ATOM 0 HA ASP A 19 3.619 -15.791 -1.421 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.085 -15.750 1.185 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.613 -14.804 1.279 1.00 0.00 H new ATOM 298 N PHE A 20 2.254 -13.914 -2.516 1.00 0.00 N ATOM 299 CA PHE A 20 1.185 -13.105 -3.152 1.00 0.00 C ATOM 300 C PHE A 20 -0.214 -13.558 -2.761 1.00 0.00 C ATOM 301 O PHE A 20 -0.873 -12.931 -1.958 1.00 0.00 O ATOM 302 CB PHE A 20 1.414 -13.280 -4.648 1.00 0.00 C ATOM 303 CG PHE A 20 1.304 -11.932 -5.286 1.00 0.00 C ATOM 304 CD1 PHE A 20 2.403 -11.070 -5.287 1.00 0.00 C ATOM 305 CD2 PHE A 20 0.095 -11.535 -5.854 1.00 0.00 C ATOM 306 CE1 PHE A 20 2.290 -9.804 -5.859 1.00 0.00 C ATOM 307 CE2 PHE A 20 -0.021 -10.276 -6.428 1.00 0.00 C ATOM 308 CZ PHE A 20 1.080 -9.404 -6.430 1.00 0.00 C ATOM 0 H PHE A 20 2.998 -14.208 -3.149 1.00 0.00 H new ATOM 0 HA PHE A 20 1.238 -12.065 -2.830 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.396 -13.713 -4.836 1.00 0.00 H new ATOM 0 HB3 PHE A 20 0.678 -13.964 -5.070 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.338 -11.384 -4.846 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.751 -12.206 -5.848 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.137 -9.134 -5.861 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.956 -9.968 -6.872 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.991 -8.423 -6.873 1.00 0.00 H new ATOM 318 N LYS A 21 -0.694 -14.614 -3.340 1.00 0.00 N ATOM 319 CA LYS A 21 -2.069 -15.061 -3.011 1.00 0.00 C ATOM 320 C LYS A 21 -2.320 -14.928 -1.504 1.00 0.00 C ATOM 321 O LYS A 21 -3.444 -14.788 -1.063 1.00 0.00 O ATOM 322 CB LYS A 21 -2.137 -16.525 -3.447 1.00 0.00 C ATOM 323 CG LYS A 21 -1.933 -16.618 -4.961 1.00 0.00 C ATOM 324 CD LYS A 21 -0.908 -17.710 -5.271 1.00 0.00 C ATOM 325 CE LYS A 21 -1.568 -18.810 -6.108 1.00 0.00 C ATOM 326 NZ LYS A 21 -0.583 -19.927 -6.117 1.00 0.00 N ATOM 0 H LYS A 21 -0.198 -15.186 -4.024 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.828 -14.460 -3.513 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.372 -17.105 -2.930 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.101 -16.953 -3.173 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.879 -16.842 -5.453 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.590 -15.660 -5.352 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.062 -17.286 -5.811 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.517 -18.129 -4.344 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.517 -19.123 -5.672 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.781 -18.463 -7.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.963 -20.720 -6.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.308 -19.601 -6.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.405 -20.241 -5.142 1.00 0.00 H new ATOM 340 N ASN A 22 -1.281 -14.967 -0.711 1.00 0.00 N ATOM 341 CA ASN A 22 -1.460 -14.838 0.760 1.00 0.00 C ATOM 342 C ASN A 22 -1.539 -13.366 1.155 1.00 0.00 C ATOM 343 O ASN A 22 -2.192 -13.003 2.114 1.00 0.00 O ATOM 344 CB ASN A 22 -0.208 -15.468 1.356 1.00 0.00 C ATOM 345 CG ASN A 22 -0.602 -16.493 2.421 1.00 0.00 C ATOM 346 OD1 ASN A 22 -1.691 -17.031 2.389 1.00 0.00 O ATOM 347 ND2 ASN A 22 0.245 -16.790 3.368 1.00 0.00 N ATOM 0 H ASN A 22 -0.316 -15.083 -1.022 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.376 -15.315 1.108 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.376 -15.950 0.572 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.424 -14.697 1.796 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.007 -17.474 4.082 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.159 -16.338 3.395 1.00 0.00 H new ATOM 354 N ILE A 23 -0.865 -12.519 0.430 1.00 0.00 N ATOM 355 CA ILE A 23 -0.883 -11.070 0.765 1.00 0.00 C ATOM 356 C ILE A 23 -2.289 -10.643 1.204 1.00 0.00 C ATOM 357 O ILE A 23 -3.210 -10.577 0.412 1.00 0.00 O ATOM 358 CB ILE A 23 -0.452 -10.358 -0.527 1.00 0.00 C ATOM 359 CG1 ILE A 23 0.867 -9.622 -0.282 1.00 0.00 C ATOM 360 CG2 ILE A 23 -1.515 -9.350 -0.965 1.00 0.00 C ATOM 361 CD1 ILE A 23 1.973 -10.640 -0.001 1.00 0.00 C ATOM 0 H ILE A 23 -0.301 -12.769 -0.382 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.219 -10.823 1.594 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.327 -11.103 -1.313 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.126 -9.018 -1.152 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.764 -8.939 0.561 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.192 -8.856 -1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.456 -9.869 -1.145 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.655 -8.605 -0.181 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.913 -10.117 0.174 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.714 -11.225 0.882 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.082 -11.305 -0.858 1.00 0.00 H new ATOM 373 N GLN A 24 -2.459 -10.360 2.466 1.00 0.00 N ATOM 374 CA GLN A 24 -3.803 -9.938 2.966 1.00 0.00 C ATOM 375 C GLN A 24 -3.804 -8.445 3.299 1.00 0.00 C ATOM 376 O GLN A 24 -4.830 -7.864 3.590 1.00 0.00 O ATOM 377 CB GLN A 24 -4.040 -10.773 4.226 1.00 0.00 C ATOM 378 CG GLN A 24 -5.196 -10.174 5.027 1.00 0.00 C ATOM 379 CD GLN A 24 -5.492 -11.061 6.238 1.00 0.00 C ATOM 380 OE1 GLN A 24 -6.600 -11.080 6.736 1.00 0.00 O ATOM 381 NE2 GLN A 24 -4.540 -11.802 6.737 1.00 0.00 N ATOM 0 H GLN A 24 -1.727 -10.402 3.175 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.585 -10.094 2.223 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.268 -11.804 3.954 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -3.136 -10.796 4.835 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.941 -9.166 5.355 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.083 -10.090 4.399 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.610 -11.786 6.319 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.727 -12.397 7.545 1.00 0.00 H new ATOM 390 N SER A 25 -2.664 -7.818 3.249 1.00 0.00 N ATOM 391 CA SER A 25 -2.597 -6.360 3.550 1.00 0.00 C ATOM 392 C SER A 25 -1.352 -5.760 2.900 1.00 0.00 C ATOM 393 O SER A 25 -0.423 -6.462 2.554 1.00 0.00 O ATOM 394 CB SER A 25 -2.515 -6.263 5.073 1.00 0.00 C ATOM 395 OG SER A 25 -1.150 -6.243 5.468 1.00 0.00 O ATOM 0 H SER A 25 -1.772 -8.252 3.012 1.00 0.00 H new ATOM 0 HA SER A 25 -3.458 -5.814 3.164 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.019 -5.361 5.419 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.026 -7.110 5.531 1.00 0.00 H new ATOM 0 HG SER A 25 -1.002 -5.504 6.095 1.00 0.00 H new ATOM 401 N LEU A 26 -1.325 -4.470 2.721 1.00 0.00 N ATOM 402 CA LEU A 26 -0.137 -3.842 2.081 1.00 0.00 C ATOM 403 C LEU A 26 0.164 -2.485 2.718 1.00 0.00 C ATOM 404 O LEU A 26 -0.683 -1.880 3.340 1.00 0.00 O ATOM 405 CB LEU A 26 -0.533 -3.666 0.614 1.00 0.00 C ATOM 406 CG LEU A 26 0.244 -4.659 -0.247 1.00 0.00 C ATOM 407 CD1 LEU A 26 -0.055 -4.400 -1.725 1.00 0.00 C ATOM 408 CD2 LEU A 26 1.741 -4.485 0.007 1.00 0.00 C ATOM 0 H LEU A 26 -2.070 -3.826 2.988 1.00 0.00 H new ATOM 0 HA LEU A 26 0.761 -4.448 2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.605 -3.825 0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.324 -2.646 0.290 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.056 -5.675 0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.500 -5.110 -2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.123 -4.521 -1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.244 -3.384 -1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.299 -5.193 -0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.038 -3.468 -0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.955 -4.670 1.060 1.00 0.00 H new ATOM 420 N SER A 27 1.367 -2.007 2.559 1.00 0.00 N ATOM 421 CA SER A 27 1.737 -0.686 3.140 1.00 0.00 C ATOM 422 C SER A 27 2.904 -0.090 2.349 1.00 0.00 C ATOM 423 O SER A 27 4.008 -0.596 2.384 1.00 0.00 O ATOM 424 CB SER A 27 2.149 -0.980 4.580 1.00 0.00 C ATOM 425 OG SER A 27 1.190 -0.416 5.467 1.00 0.00 O ATOM 0 H SER A 27 2.114 -2.478 2.048 1.00 0.00 H new ATOM 0 HA SER A 27 0.919 0.034 3.102 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.219 -2.056 4.738 1.00 0.00 H new ATOM 0 HB3 SER A 27 3.136 -0.563 4.780 1.00 0.00 H new ATOM 0 HG SER A 27 0.297 -0.749 5.238 1.00 0.00 H new ATOM 431 N VAL A 28 2.671 0.967 1.621 1.00 0.00 N ATOM 432 CA VAL A 28 3.774 1.565 0.817 1.00 0.00 C ATOM 433 C VAL A 28 4.217 2.911 1.395 1.00 0.00 C ATOM 434 O VAL A 28 3.426 3.814 1.583 1.00 0.00 O ATOM 435 CB VAL A 28 3.181 1.756 -0.579 1.00 0.00 C ATOM 436 CG1 VAL A 28 4.140 2.588 -1.432 1.00 0.00 C ATOM 437 CG2 VAL A 28 2.971 0.389 -1.234 1.00 0.00 C ATOM 0 H VAL A 28 1.770 1.440 1.548 1.00 0.00 H new ATOM 0 HA VAL A 28 4.659 0.929 0.813 1.00 0.00 H new ATOM 0 HB VAL A 28 2.225 2.273 -0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.717 2.724 -2.427 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.291 3.562 -0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.097 2.072 -1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.548 0.524 -2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.928 -0.127 -1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.287 -0.204 -0.627 1.00 0.00 H new ATOM 447 N THR A 29 5.487 3.049 1.660 1.00 0.00 N ATOM 448 CA THR A 29 6.012 4.332 2.208 1.00 0.00 C ATOM 449 C THR A 29 7.268 4.731 1.429 1.00 0.00 C ATOM 450 O THR A 29 7.957 3.886 0.892 1.00 0.00 O ATOM 451 CB THR A 29 6.345 4.036 3.671 1.00 0.00 C ATOM 452 OG1 THR A 29 6.670 5.249 4.336 1.00 0.00 O ATOM 453 CG2 THR A 29 7.534 3.078 3.745 1.00 0.00 C ATOM 0 H THR A 29 6.189 2.322 1.519 1.00 0.00 H new ATOM 0 HA THR A 29 5.301 5.154 2.125 1.00 0.00 H new ATOM 0 HB THR A 29 5.482 3.576 4.153 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.882 5.061 5.274 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.769 2.869 4.789 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.283 2.147 3.236 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.399 3.534 3.263 1.00 0.00 H new ATOM 461 N PRO A 30 7.515 6.007 1.380 1.00 0.00 N ATOM 462 CA PRO A 30 8.692 6.523 0.640 1.00 0.00 C ATOM 463 C PRO A 30 9.993 6.216 1.385 1.00 0.00 C ATOM 464 O PRO A 30 9.980 5.647 2.459 1.00 0.00 O ATOM 465 CB PRO A 30 8.438 8.027 0.573 1.00 0.00 C ATOM 466 CG PRO A 30 7.543 8.323 1.735 1.00 0.00 C ATOM 467 CD PRO A 30 6.733 7.080 2.001 1.00 0.00 C ATOM 0 HA PRO A 30 8.807 6.067 -0.343 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.370 8.588 0.641 1.00 0.00 H new ATOM 0 HB3 PRO A 30 7.966 8.306 -0.369 1.00 0.00 H new ATOM 0 HG2 PRO A 30 8.129 8.595 2.613 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.890 9.167 1.513 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.601 6.911 3.070 1.00 0.00 H new ATOM 0 HD3 PRO A 30 5.737 7.152 1.564 1.00 0.00 H new ATOM 475 N PRO A 31 11.080 6.602 0.770 1.00 0.00 N ATOM 476 CA PRO A 31 12.423 6.367 1.359 1.00 0.00 C ATOM 477 C PRO A 31 12.645 7.246 2.592 1.00 0.00 C ATOM 478 O PRO A 31 11.715 7.762 3.180 1.00 0.00 O ATOM 479 CB PRO A 31 13.378 6.763 0.236 1.00 0.00 C ATOM 480 CG PRO A 31 12.600 7.718 -0.610 1.00 0.00 C ATOM 481 CD PRO A 31 11.161 7.292 -0.523 1.00 0.00 C ATOM 0 HA PRO A 31 12.561 5.340 1.697 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.281 7.230 0.631 1.00 0.00 H new ATOM 0 HB3 PRO A 31 13.694 5.893 -0.339 1.00 0.00 H new ATOM 0 HG2 PRO A 31 12.724 8.741 -0.254 1.00 0.00 H new ATOM 0 HG3 PRO A 31 12.949 7.695 -1.642 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.487 8.148 -0.563 1.00 0.00 H new ATOM 0 HD3 PRO A 31 10.888 6.632 -1.347 1.00 0.00 H new ATOM 564 N THR A 38 12.527 3.910 -1.409 1.00 0.00 N ATOM 565 CA THR A 38 11.080 3.597 -1.218 1.00 0.00 C ATOM 566 C THR A 38 10.926 2.165 -0.706 1.00 0.00 C ATOM 567 O THR A 38 11.694 1.288 -1.051 1.00 0.00 O ATOM 568 CB THR A 38 10.452 3.741 -2.607 1.00 0.00 C ATOM 569 OG1 THR A 38 11.363 4.404 -3.472 1.00 0.00 O ATOM 570 CG2 THR A 38 9.158 4.552 -2.508 1.00 0.00 C ATOM 0 HA THR A 38 10.604 4.255 -0.491 1.00 0.00 H new ATOM 0 HB THR A 38 10.226 2.752 -3.005 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.266 4.358 -3.094 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.715 4.652 -3.499 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.458 4.041 -1.847 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.379 5.542 -2.108 1.00 0.00 H new ATOM 578 N GLU A 39 9.949 1.917 0.121 1.00 0.00 N ATOM 579 CA GLU A 39 9.768 0.537 0.652 1.00 0.00 C ATOM 580 C GLU A 39 8.288 0.232 0.890 1.00 0.00 C ATOM 581 O GLU A 39 7.485 1.121 1.091 1.00 0.00 O ATOM 582 CB GLU A 39 10.529 0.531 1.975 1.00 0.00 C ATOM 583 CG GLU A 39 11.060 -0.873 2.237 1.00 0.00 C ATOM 584 CD GLU A 39 10.927 -1.204 3.724 1.00 0.00 C ATOM 585 OE1 GLU A 39 9.815 -1.156 4.225 1.00 0.00 O ATOM 586 OE2 GLU A 39 11.939 -1.501 4.338 1.00 0.00 O ATOM 0 H GLU A 39 9.272 2.605 0.451 1.00 0.00 H new ATOM 0 HA GLU A 39 10.131 -0.219 -0.044 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.353 1.244 1.939 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.873 0.843 2.788 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.506 -1.599 1.642 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.104 -0.941 1.931 1.00 0.00 H new ATOM 593 N VAL A 40 7.921 -1.023 0.872 1.00 0.00 N ATOM 594 CA VAL A 40 6.491 -1.381 1.101 1.00 0.00 C ATOM 595 C VAL A 40 6.371 -2.445 2.196 1.00 0.00 C ATOM 596 O VAL A 40 7.354 -2.985 2.664 1.00 0.00 O ATOM 597 CB VAL A 40 6.002 -1.936 -0.235 1.00 0.00 C ATOM 598 CG1 VAL A 40 4.477 -2.060 -0.211 1.00 0.00 C ATOM 599 CG2 VAL A 40 6.418 -0.989 -1.359 1.00 0.00 C ATOM 0 H VAL A 40 8.547 -1.812 0.709 1.00 0.00 H new ATOM 0 HA VAL A 40 5.904 -0.523 1.430 1.00 0.00 H new ATOM 0 HB VAL A 40 6.442 -2.919 -0.403 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.129 -2.456 -1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.179 -2.734 0.592 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.035 -1.078 -0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.070 -1.383 -2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.977 -0.007 -1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.504 -0.901 -1.377 1.00 0.00 H new ATOM 609 N ILE A 41 5.169 -2.749 2.598 1.00 0.00 N ATOM 610 CA ILE A 41 4.961 -3.778 3.655 1.00 0.00 C ATOM 611 C ILE A 41 3.649 -4.512 3.393 1.00 0.00 C ATOM 612 O ILE A 41 2.594 -3.915 3.332 1.00 0.00 O ATOM 613 CB ILE A 41 4.889 -2.999 4.966 1.00 0.00 C ATOM 614 CG1 ILE A 41 6.225 -2.295 5.216 1.00 0.00 C ATOM 615 CG2 ILE A 41 4.598 -3.962 6.118 1.00 0.00 C ATOM 616 CD1 ILE A 41 6.152 -0.861 4.687 1.00 0.00 C ATOM 0 H ILE A 41 4.314 -2.325 2.237 1.00 0.00 H new ATOM 0 HA ILE A 41 5.756 -4.524 3.678 1.00 0.00 H new ATOM 0 HB ILE A 41 4.093 -2.257 4.903 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.452 -2.290 6.282 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.032 -2.836 4.721 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.547 -3.405 7.054 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.646 -4.463 5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.393 -4.705 6.181 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.103 -0.359 4.865 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.945 -0.878 3.617 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.356 -0.323 5.202 1.00 0.00 H new ATOM 628 N ALA A 42 3.704 -5.799 3.218 1.00 0.00 N ATOM 629 CA ALA A 42 2.455 -6.557 2.938 1.00 0.00 C ATOM 630 C ALA A 42 2.260 -7.684 3.950 1.00 0.00 C ATOM 631 O ALA A 42 3.207 -8.258 4.449 1.00 0.00 O ATOM 632 CB ALA A 42 2.666 -7.137 1.543 1.00 0.00 C ATOM 0 H ALA A 42 4.556 -6.359 3.256 1.00 0.00 H new ATOM 0 HA ALA A 42 1.570 -5.924 3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.789 -7.715 1.253 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.818 -6.326 0.831 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.543 -7.785 1.547 1.00 0.00 H new ATOM 638 N THR A 43 1.033 -8.021 4.230 1.00 0.00 N ATOM 639 CA THR A 43 0.765 -9.131 5.186 1.00 0.00 C ATOM 640 C THR A 43 0.228 -10.326 4.407 1.00 0.00 C ATOM 641 O THR A 43 -0.320 -10.175 3.337 1.00 0.00 O ATOM 642 CB THR A 43 -0.297 -8.601 6.151 1.00 0.00 C ATOM 643 OG1 THR A 43 0.227 -7.492 6.867 1.00 0.00 O ATOM 644 CG2 THR A 43 -0.690 -9.709 7.132 1.00 0.00 C ATOM 0 H THR A 43 0.203 -7.576 3.838 1.00 0.00 H new ATOM 0 HA THR A 43 1.658 -9.448 5.724 1.00 0.00 H new ATOM 0 HB THR A 43 -1.177 -8.285 5.590 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.247 -6.705 6.283 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.447 -9.334 7.821 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.092 -10.558 6.580 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.188 -10.025 7.695 1.00 0.00 H new ATOM 652 N LEU A 44 0.403 -11.510 4.911 1.00 0.00 N ATOM 653 CA LEU A 44 -0.076 -12.703 4.166 1.00 0.00 C ATOM 654 C LEU A 44 -1.283 -13.340 4.854 1.00 0.00 C ATOM 655 O LEU A 44 -1.676 -12.948 5.935 1.00 0.00 O ATOM 656 CB LEU A 44 1.114 -13.647 4.197 1.00 0.00 C ATOM 657 CG LEU A 44 2.364 -12.892 3.758 1.00 0.00 C ATOM 658 CD1 LEU A 44 3.601 -13.697 4.139 1.00 0.00 C ATOM 659 CD2 LEU A 44 2.331 -12.694 2.244 1.00 0.00 C ATOM 0 H LEU A 44 0.856 -11.705 5.804 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.404 -12.459 3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.250 -14.047 5.202 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.937 -14.496 3.537 1.00 0.00 H new ATOM 0 HG LEU A 44 2.396 -11.920 4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.496 -13.159 3.826 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.623 -13.841 5.219 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.570 -14.668 3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.224 -12.154 1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.301 -13.665 1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.445 -12.121 1.971 1.00 0.00 H new ATOM 671 N LYS A 45 -1.875 -14.320 4.227 1.00 0.00 N ATOM 672 CA LYS A 45 -3.058 -14.987 4.837 1.00 0.00 C ATOM 673 C LYS A 45 -2.611 -16.117 5.767 1.00 0.00 C ATOM 674 O LYS A 45 -2.076 -17.116 5.333 1.00 0.00 O ATOM 675 CB LYS A 45 -3.851 -15.548 3.657 1.00 0.00 C ATOM 676 CG LYS A 45 -5.161 -14.772 3.507 1.00 0.00 C ATOM 677 CD LYS A 45 -6.340 -15.698 3.810 1.00 0.00 C ATOM 678 CE LYS A 45 -6.544 -16.665 2.642 1.00 0.00 C ATOM 679 NZ LYS A 45 -7.815 -16.229 1.999 1.00 0.00 N ATOM 0 H LYS A 45 -1.590 -14.687 3.319 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.652 -14.299 5.438 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.264 -15.472 2.742 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.059 -16.606 3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.171 -13.919 4.186 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.247 -14.375 2.496 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.152 -16.255 4.728 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.244 -15.111 3.972 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.711 -16.619 1.941 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.611 -17.696 2.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.023 -16.845 1.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.591 -16.290 2.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.719 -15.247 1.672 1.00 0.00 H new ATOM 693 N GLY A 46 -2.828 -15.966 7.045 1.00 0.00 N ATOM 694 CA GLY A 46 -2.418 -17.030 7.999 1.00 0.00 C ATOM 695 C GLY A 46 -1.627 -16.411 9.152 1.00 0.00 C ATOM 696 O GLY A 46 -1.446 -17.021 10.187 1.00 0.00 O ATOM 0 H GLY A 46 -3.272 -15.151 7.468 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.298 -17.545 8.384 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.810 -17.776 7.487 1.00 0.00 H new ATOM 700 N GLY A 47 -1.151 -15.207 8.985 1.00 0.00 N ATOM 701 CA GLY A 47 -0.374 -14.560 10.075 1.00 0.00 C ATOM 702 C GLY A 47 1.106 -14.527 9.694 1.00 0.00 C ATOM 703 O GLY A 47 1.914 -15.260 10.227 1.00 0.00 O ATOM 0 H GLY A 47 -1.267 -14.646 8.141 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.740 -13.547 10.245 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.509 -15.108 11.007 1.00 0.00 H new ATOM 707 N GLN A 48 1.461 -13.679 8.772 1.00 0.00 N ATOM 708 CA GLN A 48 2.884 -13.587 8.346 1.00 0.00 C ATOM 709 C GLN A 48 3.065 -12.383 7.421 1.00 0.00 C ATOM 710 O GLN A 48 2.764 -12.440 6.245 1.00 0.00 O ATOM 711 CB GLN A 48 3.163 -14.890 7.596 1.00 0.00 C ATOM 712 CG GLN A 48 3.964 -15.835 8.493 1.00 0.00 C ATOM 713 CD GLN A 48 4.780 -16.794 7.625 1.00 0.00 C ATOM 714 OE1 GLN A 48 4.381 -17.920 7.404 1.00 0.00 O ATOM 715 NE2 GLN A 48 5.916 -16.393 7.121 1.00 0.00 N ATOM 0 H GLN A 48 0.824 -13.043 8.293 1.00 0.00 H new ATOM 0 HA GLN A 48 3.565 -13.456 9.187 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.225 -15.360 7.301 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.718 -14.683 6.681 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.626 -15.263 9.142 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.291 -16.397 9.140 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.251 -15.448 7.307 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.468 -17.025 6.542 1.00 0.00 H new ATOM 724 N LYS A 49 3.545 -11.291 7.943 1.00 0.00 N ATOM 725 CA LYS A 49 3.731 -10.081 7.098 1.00 0.00 C ATOM 726 C LYS A 49 5.212 -9.816 6.859 1.00 0.00 C ATOM 727 O LYS A 49 6.075 -10.451 7.431 1.00 0.00 O ATOM 728 CB LYS A 49 3.117 -8.943 7.907 1.00 0.00 C ATOM 729 CG LYS A 49 3.479 -7.590 7.291 1.00 0.00 C ATOM 730 CD LYS A 49 2.854 -6.469 8.125 1.00 0.00 C ATOM 731 CE LYS A 49 3.180 -6.691 9.603 1.00 0.00 C ATOM 732 NZ LYS A 49 4.665 -6.796 9.659 1.00 0.00 N ATOM 0 H LYS A 49 3.817 -11.184 8.920 1.00 0.00 H new ATOM 0 HA LYS A 49 3.268 -10.192 6.117 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.033 -9.056 7.940 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.473 -8.987 8.936 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.562 -7.472 7.256 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.119 -7.538 6.263 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.236 -5.502 7.799 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.774 -6.451 7.978 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.819 -5.864 10.215 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.706 -7.597 9.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.007 -6.401 10.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.945 -7.795 9.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.081 -6.266 8.867 1.00 0.00 H new ATOM 746 N VAL A 50 5.497 -8.877 6.014 1.00 0.00 N ATOM 747 CA VAL A 50 6.920 -8.542 5.709 1.00 0.00 C ATOM 748 C VAL A 50 7.001 -7.245 4.897 1.00 0.00 C ATOM 749 O VAL A 50 6.064 -6.472 4.847 1.00 0.00 O ATOM 750 CB VAL A 50 7.446 -9.718 4.882 1.00 0.00 C ATOM 751 CG1 VAL A 50 7.981 -10.806 5.816 1.00 0.00 C ATOM 752 CG2 VAL A 50 6.314 -10.295 4.027 1.00 0.00 C ATOM 0 H VAL A 50 4.806 -8.318 5.514 1.00 0.00 H new ATOM 0 HA VAL A 50 7.503 -8.389 6.617 1.00 0.00 H new ATOM 0 HB VAL A 50 8.249 -9.368 4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.355 -11.642 5.225 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.791 -10.399 6.422 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.179 -11.153 6.468 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.692 -11.132 3.440 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.509 -10.641 4.675 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.935 -9.524 3.357 1.00 0.00 H new ATOM 762 N CYS A 51 8.115 -7.003 4.260 1.00 0.00 N ATOM 763 CA CYS A 51 8.261 -5.762 3.450 1.00 0.00 C ATOM 764 C CYS A 51 8.282 -6.111 1.963 1.00 0.00 C ATOM 765 O CYS A 51 8.729 -7.172 1.573 1.00 0.00 O ATOM 766 CB CYS A 51 9.596 -5.166 3.889 1.00 0.00 C ATOM 767 SG CYS A 51 9.390 -4.337 5.484 1.00 0.00 S ATOM 0 H CYS A 51 8.932 -7.614 4.267 1.00 0.00 H new ATOM 0 HA CYS A 51 7.438 -5.063 3.598 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.348 -5.951 3.969 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.953 -4.457 3.142 1.00 0.00 H new ATOM 0 HG CYS A 51 9.485 -3.051 5.320 1.00 0.00 H new ATOM 772 N LEU A 52 7.778 -5.243 1.129 1.00 0.00 N ATOM 773 CA LEU A 52 7.745 -5.544 -0.316 1.00 0.00 C ATOM 774 C LEU A 52 8.730 -4.669 -1.095 1.00 0.00 C ATOM 775 O LEU A 52 9.155 -3.625 -0.636 1.00 0.00 O ATOM 776 CB LEU A 52 6.316 -5.214 -0.705 1.00 0.00 C ATOM 777 CG LEU A 52 5.630 -6.468 -1.233 1.00 0.00 C ATOM 778 CD1 LEU A 52 4.118 -6.292 -1.132 1.00 0.00 C ATOM 779 CD2 LEU A 52 6.026 -6.694 -2.694 1.00 0.00 C ATOM 0 H LEU A 52 7.389 -4.338 1.394 1.00 0.00 H new ATOM 0 HA LEU A 52 8.031 -6.572 -0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.774 -4.826 0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.306 -4.434 -1.466 1.00 0.00 H new ATOM 0 HG LEU A 52 5.938 -7.331 -0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.622 -7.186 -1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.839 -6.133 -0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.812 -5.430 -1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.534 -7.591 -3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.719 -5.835 -3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.107 -6.817 -2.763 1.00 0.00 H new ATOM 791 N ASP A 53 9.081 -5.105 -2.277 1.00 0.00 N ATOM 792 CA ASP A 53 10.033 -4.341 -3.137 1.00 0.00 C ATOM 793 C ASP A 53 9.659 -2.851 -3.176 1.00 0.00 C ATOM 794 O ASP A 53 8.921 -2.376 -2.338 1.00 0.00 O ATOM 795 CB ASP A 53 9.875 -4.980 -4.518 1.00 0.00 C ATOM 796 CG ASP A 53 11.247 -5.398 -5.052 1.00 0.00 C ATOM 797 OD1 ASP A 53 12.012 -5.961 -4.287 1.00 0.00 O ATOM 798 OD2 ASP A 53 11.509 -5.146 -6.217 1.00 0.00 O ATOM 0 H ASP A 53 8.742 -5.974 -2.690 1.00 0.00 H new ATOM 0 HA ASP A 53 11.059 -4.383 -2.770 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.219 -5.848 -4.455 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.406 -4.275 -5.204 1.00 0.00 H new ATOM 803 N PRO A 54 10.185 -2.154 -4.153 1.00 0.00 N ATOM 804 CA PRO A 54 9.900 -0.710 -4.282 1.00 0.00 C ATOM 805 C PRO A 54 8.580 -0.520 -5.024 1.00 0.00 C ATOM 806 O PRO A 54 8.555 -0.292 -6.216 1.00 0.00 O ATOM 807 CB PRO A 54 11.075 -0.192 -5.103 1.00 0.00 C ATOM 808 CG PRO A 54 11.580 -1.371 -5.882 1.00 0.00 C ATOM 809 CD PRO A 54 11.075 -2.633 -5.218 1.00 0.00 C ATOM 0 HA PRO A 54 9.800 -0.189 -3.330 1.00 0.00 H new ATOM 0 HB2 PRO A 54 10.762 0.612 -5.769 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.854 0.213 -4.458 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.233 -1.320 -6.914 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.670 -1.368 -5.911 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.542 -3.268 -5.925 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.896 -3.225 -4.814 1.00 0.00 H new ATOM 817 N GLU A 55 7.480 -0.644 -4.333 1.00 0.00 N ATOM 818 CA GLU A 55 6.167 -0.509 -5.015 1.00 0.00 C ATOM 819 C GLU A 55 6.052 -1.632 -6.041 1.00 0.00 C ATOM 820 O GLU A 55 5.287 -1.565 -6.981 1.00 0.00 O ATOM 821 CB GLU A 55 6.193 0.860 -5.700 1.00 0.00 C ATOM 822 CG GLU A 55 6.473 1.946 -4.660 1.00 0.00 C ATOM 823 CD GLU A 55 7.982 2.176 -4.555 1.00 0.00 C ATOM 824 OE1 GLU A 55 8.515 2.879 -5.397 1.00 0.00 O ATOM 825 OE2 GLU A 55 8.579 1.643 -3.633 1.00 0.00 O ATOM 0 H GLU A 55 7.436 -0.832 -3.331 1.00 0.00 H new ATOM 0 HA GLU A 55 5.318 -0.578 -4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.960 0.877 -6.474 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.239 1.050 -6.192 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.972 2.872 -4.942 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.072 1.649 -3.691 1.00 0.00 H new ATOM 832 N ALA A 56 6.832 -2.666 -5.861 1.00 0.00 N ATOM 833 CA ALA A 56 6.804 -3.803 -6.817 1.00 0.00 C ATOM 834 C ALA A 56 6.726 -3.265 -8.246 1.00 0.00 C ATOM 835 O ALA A 56 5.701 -3.360 -8.890 1.00 0.00 O ATOM 836 CB ALA A 56 5.551 -4.605 -6.457 1.00 0.00 C ATOM 0 H ALA A 56 7.489 -2.768 -5.088 1.00 0.00 H new ATOM 0 HA ALA A 56 7.697 -4.425 -6.758 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.464 -5.463 -7.124 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.625 -4.952 -5.426 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.670 -3.972 -6.564 1.00 0.00 H new ATOM 842 N PRO A 57 7.823 -2.714 -8.692 1.00 0.00 N ATOM 843 CA PRO A 57 7.886 -2.152 -10.060 1.00 0.00 C ATOM 844 C PRO A 57 7.958 -3.296 -11.065 1.00 0.00 C ATOM 845 O PRO A 57 7.076 -3.476 -11.882 1.00 0.00 O ATOM 846 CB PRO A 57 9.174 -1.335 -10.057 1.00 0.00 C ATOM 847 CG PRO A 57 10.023 -1.946 -8.989 1.00 0.00 C ATOM 848 CD PRO A 57 9.095 -2.572 -7.976 1.00 0.00 C ATOM 0 HA PRO A 57 7.021 -1.547 -10.332 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.670 -1.378 -11.027 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.973 -0.284 -9.848 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.691 -2.696 -9.412 1.00 0.00 H new ATOM 0 HG3 PRO A 57 10.651 -1.189 -8.518 1.00 0.00 H new ATOM 0 HD2 PRO A 57 9.470 -3.537 -7.635 1.00 0.00 H new ATOM 0 HD3 PRO A 57 8.987 -1.942 -7.093 1.00 0.00 H new ATOM 856 N LEU A 58 8.985 -4.093 -10.991 1.00 0.00 N ATOM 857 CA LEU A 58 9.086 -5.245 -11.920 1.00 0.00 C ATOM 858 C LEU A 58 7.910 -6.181 -11.650 1.00 0.00 C ATOM 859 O LEU A 58 7.330 -6.749 -12.553 1.00 0.00 O ATOM 860 CB LEU A 58 10.412 -5.924 -11.576 1.00 0.00 C ATOM 861 CG LEU A 58 10.914 -6.708 -12.788 1.00 0.00 C ATOM 862 CD1 LEU A 58 11.827 -5.817 -13.632 1.00 0.00 C ATOM 863 CD2 LEU A 58 11.700 -7.934 -12.313 1.00 0.00 C ATOM 0 H LEU A 58 9.755 -3.996 -10.329 1.00 0.00 H new ATOM 0 HA LEU A 58 9.056 -4.958 -12.971 1.00 0.00 H new ATOM 0 HB2 LEU A 58 11.149 -5.177 -11.282 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.280 -6.593 -10.726 1.00 0.00 H new ATOM 0 HG LEU A 58 10.063 -7.029 -13.388 1.00 0.00 H new ATOM 0 HD11 LEU A 58 12.184 -6.377 -14.496 1.00 0.00 H new ATOM 0 HD12 LEU A 58 11.271 -4.943 -13.971 1.00 0.00 H new ATOM 0 HD13 LEU A 58 12.678 -5.495 -13.031 1.00 0.00 H new ATOM 0 HD21 LEU A 58 12.058 -8.494 -13.177 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.550 -7.611 -11.712 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.052 -8.571 -11.711 1.00 0.00 H new ATOM 875 N VAL A 59 7.546 -6.328 -10.402 1.00 0.00 N ATOM 876 CA VAL A 59 6.395 -7.212 -10.062 1.00 0.00 C ATOM 877 C VAL A 59 5.093 -6.408 -10.054 1.00 0.00 C ATOM 878 O VAL A 59 4.041 -6.917 -9.727 1.00 0.00 O ATOM 879 CB VAL A 59 6.699 -7.739 -8.664 1.00 0.00 C ATOM 880 CG1 VAL A 59 5.527 -8.595 -8.185 1.00 0.00 C ATOM 881 CG2 VAL A 59 7.970 -8.590 -8.705 1.00 0.00 C ATOM 0 H VAL A 59 7.996 -5.875 -9.607 1.00 0.00 H new ATOM 0 HA VAL A 59 6.269 -8.018 -10.785 1.00 0.00 H new ATOM 0 HB VAL A 59 6.846 -6.903 -7.980 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.739 -8.975 -7.185 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.621 -7.990 -8.159 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.384 -9.432 -8.869 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.188 -8.967 -7.706 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.824 -9.429 -9.386 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.804 -7.981 -9.053 1.00 0.00 H new ATOM 891 N GLN A 60 5.156 -5.151 -10.400 1.00 0.00 N ATOM 892 CA GLN A 60 3.917 -4.323 -10.397 1.00 0.00 C ATOM 893 C GLN A 60 2.798 -5.045 -11.142 1.00 0.00 C ATOM 894 O GLN A 60 1.672 -5.101 -10.688 1.00 0.00 O ATOM 895 CB GLN A 60 4.294 -3.020 -11.102 1.00 0.00 C ATOM 896 CG GLN A 60 3.411 -1.883 -10.577 1.00 0.00 C ATOM 897 CD GLN A 60 3.659 -1.679 -9.077 1.00 0.00 C ATOM 898 OE1 GLN A 60 3.602 -2.614 -8.304 1.00 0.00 O ATOM 899 NE2 GLN A 60 3.924 -0.483 -8.629 1.00 0.00 N ATOM 0 H GLN A 60 6.006 -4.664 -10.683 1.00 0.00 H new ATOM 0 HA GLN A 60 3.551 -4.136 -9.387 1.00 0.00 H new ATOM 0 HB2 GLN A 60 5.345 -2.790 -10.927 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.166 -3.126 -12.179 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.628 -0.962 -11.119 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.361 -2.116 -10.752 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.973 0.305 -9.275 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.083 -0.335 -7.632 1.00 0.00 H new ATOM 908 N LYS A 61 3.096 -5.607 -12.277 1.00 0.00 N ATOM 909 CA LYS A 61 2.041 -6.336 -13.036 1.00 0.00 C ATOM 910 C LYS A 61 1.313 -7.290 -12.092 1.00 0.00 C ATOM 911 O LYS A 61 0.108 -7.238 -11.942 1.00 0.00 O ATOM 912 CB LYS A 61 2.788 -7.111 -14.122 1.00 0.00 C ATOM 913 CG LYS A 61 2.961 -6.223 -15.357 1.00 0.00 C ATOM 914 CD LYS A 61 1.964 -6.650 -16.437 1.00 0.00 C ATOM 915 CE LYS A 61 1.681 -5.468 -17.365 1.00 0.00 C ATOM 916 NZ LYS A 61 0.712 -4.616 -16.620 1.00 0.00 N ATOM 0 H LYS A 61 4.019 -5.595 -12.712 1.00 0.00 H new ATOM 0 HA LYS A 61 1.295 -5.670 -13.469 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.762 -7.430 -13.751 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.236 -8.013 -14.384 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.801 -5.178 -15.092 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.980 -6.303 -15.736 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.366 -7.487 -17.008 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.038 -6.995 -15.977 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.594 -4.919 -17.594 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.263 -5.803 -18.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.126 -4.445 -17.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.425 -5.100 -15.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.159 -3.708 -16.383 1.00 0.00 H new ATOM 930 N ILE A 62 2.043 -8.145 -11.438 1.00 0.00 N ATOM 931 CA ILE A 62 1.409 -9.093 -10.481 1.00 0.00 C ATOM 932 C ILE A 62 0.778 -8.299 -9.335 1.00 0.00 C ATOM 933 O ILE A 62 -0.114 -8.769 -8.656 1.00 0.00 O ATOM 934 CB ILE A 62 2.558 -9.972 -9.984 1.00 0.00 C ATOM 935 CG1 ILE A 62 2.966 -10.944 -11.094 1.00 0.00 C ATOM 936 CG2 ILE A 62 2.108 -10.766 -8.759 1.00 0.00 C ATOM 937 CD1 ILE A 62 1.845 -11.960 -11.317 1.00 0.00 C ATOM 0 H ILE A 62 3.056 -8.230 -11.524 1.00 0.00 H new ATOM 0 HA ILE A 62 0.617 -9.695 -10.927 1.00 0.00 H new ATOM 0 HB ILE A 62 3.405 -9.341 -9.714 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.165 -10.398 -12.016 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.888 -11.457 -10.822 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.930 -11.391 -8.408 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.812 -10.077 -7.967 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.260 -11.397 -9.026 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.134 -12.653 -12.107 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.668 -12.514 -10.395 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.933 -11.438 -11.608 1.00 0.00 H new ATOM 949 N ILE A 63 1.214 -7.084 -9.138 1.00 0.00 N ATOM 950 CA ILE A 63 0.624 -6.242 -8.066 1.00 0.00 C ATOM 951 C ILE A 63 -0.730 -5.745 -8.544 1.00 0.00 C ATOM 952 O ILE A 63 -1.738 -5.913 -7.888 1.00 0.00 O ATOM 953 CB ILE A 63 1.620 -5.092 -7.885 1.00 0.00 C ATOM 954 CG1 ILE A 63 2.370 -5.285 -6.571 1.00 0.00 C ATOM 955 CG2 ILE A 63 0.890 -3.749 -7.872 1.00 0.00 C ATOM 956 CD1 ILE A 63 2.891 -6.718 -6.511 1.00 0.00 C ATOM 0 H ILE A 63 1.957 -6.639 -9.677 1.00 0.00 H new ATOM 0 HA ILE A 63 0.464 -6.766 -7.124 1.00 0.00 H new ATOM 0 HB ILE A 63 2.324 -5.094 -8.717 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.197 -4.579 -6.501 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.710 -5.087 -5.727 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.613 -2.943 -7.743 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.361 -3.614 -8.815 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.176 -3.731 -7.049 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.430 -6.870 -5.576 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.053 -7.412 -6.564 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.563 -6.896 -7.350 1.00 0.00 H new ATOM 968 N GLN A 64 -0.768 -5.171 -9.709 1.00 0.00 N ATOM 969 CA GLN A 64 -2.069 -4.707 -10.248 1.00 0.00 C ATOM 970 C GLN A 64 -3.036 -5.885 -10.169 1.00 0.00 C ATOM 971 O GLN A 64 -4.235 -5.722 -10.068 1.00 0.00 O ATOM 972 CB GLN A 64 -1.780 -4.304 -11.698 1.00 0.00 C ATOM 973 CG GLN A 64 -2.818 -4.928 -12.631 1.00 0.00 C ATOM 974 CD GLN A 64 -4.206 -4.362 -12.318 1.00 0.00 C ATOM 975 OE1 GLN A 64 -5.205 -4.910 -12.739 1.00 0.00 O ATOM 976 NE2 GLN A 64 -4.313 -3.282 -11.592 1.00 0.00 N ATOM 0 H GLN A 64 0.041 -5.004 -10.308 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.510 -3.870 -9.707 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.799 -3.218 -11.793 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.780 -4.631 -11.983 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.557 -4.722 -13.669 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.822 -6.011 -12.512 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.475 -2.821 -11.238 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.234 -2.900 -11.379 1.00 0.00 H new ATOM 985 N LYS A 65 -2.501 -7.078 -10.182 1.00 0.00 N ATOM 986 CA LYS A 65 -3.357 -8.286 -10.073 1.00 0.00 C ATOM 987 C LYS A 65 -3.850 -8.406 -8.633 1.00 0.00 C ATOM 988 O LYS A 65 -4.970 -8.796 -8.373 1.00 0.00 O ATOM 989 CB LYS A 65 -2.444 -9.459 -10.434 1.00 0.00 C ATOM 990 CG LYS A 65 -3.258 -10.543 -11.145 1.00 0.00 C ATOM 991 CD LYS A 65 -2.381 -11.777 -11.365 1.00 0.00 C ATOM 992 CE LYS A 65 -2.506 -12.714 -10.162 1.00 0.00 C ATOM 993 NZ LYS A 65 -3.705 -13.550 -10.447 1.00 0.00 N ATOM 0 H LYS A 65 -1.501 -7.264 -10.264 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.231 -8.253 -10.724 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.634 -9.117 -11.078 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.985 -9.867 -9.533 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.132 -10.806 -10.549 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.625 -10.169 -12.101 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.685 -12.294 -12.275 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.342 -11.478 -11.500 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.614 -13.330 -10.047 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.627 -12.153 -9.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.856 -14.219 -9.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.540 -12.938 -10.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.558 -14.078 -11.331 1.00 0.00 H new ATOM 1007 N ILE A 66 -3.014 -8.050 -7.694 1.00 0.00 N ATOM 1008 CA ILE A 66 -3.421 -8.115 -6.264 1.00 0.00 C ATOM 1009 C ILE A 66 -4.355 -6.942 -5.959 1.00 0.00 C ATOM 1010 O ILE A 66 -5.273 -7.046 -5.169 1.00 0.00 O ATOM 1011 CB ILE A 66 -2.114 -8.014 -5.470 1.00 0.00 C ATOM 1012 CG1 ILE A 66 -2.204 -8.906 -4.229 1.00 0.00 C ATOM 1013 CG2 ILE A 66 -1.866 -6.567 -5.037 1.00 0.00 C ATOM 1014 CD1 ILE A 66 -3.243 -8.335 -3.262 1.00 0.00 C ATOM 0 H ILE A 66 -2.064 -7.716 -7.859 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.959 -9.028 -6.010 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.289 -8.341 -6.103 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.479 -9.921 -4.517 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.232 -8.966 -3.740 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.934 -6.510 -4.474 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.796 -5.930 -5.919 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.690 -6.229 -4.409 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.306 -8.971 -2.379 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.949 -7.329 -2.964 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.215 -8.298 -3.753 1.00 0.00 H new ATOM 1026 N LEU A 67 -4.128 -5.828 -6.600 1.00 0.00 N ATOM 1027 CA LEU A 67 -4.994 -4.637 -6.383 1.00 0.00 C ATOM 1028 C LEU A 67 -6.329 -4.833 -7.102 1.00 0.00 C ATOM 1029 O LEU A 67 -7.372 -4.429 -6.624 1.00 0.00 O ATOM 1030 CB LEU A 67 -4.218 -3.472 -7.002 1.00 0.00 C ATOM 1031 CG LEU A 67 -3.319 -2.831 -5.941 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -2.016 -3.619 -5.835 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -3.007 -1.388 -6.344 1.00 0.00 C ATOM 0 H LEU A 67 -3.372 -5.692 -7.271 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.217 -4.464 -5.330 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.615 -3.827 -7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.911 -2.732 -7.401 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.830 -2.840 -4.978 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.376 -3.163 -5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.235 -4.648 -5.551 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.505 -3.609 -6.798 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.367 -0.930 -5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.495 -1.382 -7.306 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.936 -0.823 -6.423 1.00 0.00 H new ATOM 1045 N ASN A 68 -6.301 -5.454 -8.247 1.00 0.00 N ATOM 1046 CA ASN A 68 -7.561 -5.685 -9.006 1.00 0.00 C ATOM 1047 C ASN A 68 -8.236 -6.975 -8.531 1.00 0.00 C ATOM 1048 O ASN A 68 -9.314 -7.320 -8.972 1.00 0.00 O ATOM 1049 CB ASN A 68 -7.128 -5.815 -10.467 1.00 0.00 C ATOM 1050 CG ASN A 68 -8.170 -5.152 -11.369 1.00 0.00 C ATOM 1051 OD1 ASN A 68 -9.146 -5.770 -11.746 1.00 0.00 O ATOM 1052 ND2 ASN A 68 -8.004 -3.910 -11.734 1.00 0.00 N ATOM 0 H ASN A 68 -5.456 -5.813 -8.692 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.280 -4.878 -8.865 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.155 -5.346 -10.612 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.018 -6.866 -10.733 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -8.693 -3.459 -12.335 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -7.185 -3.391 -11.418 1.00 0.00 H new ATOM 1059 N LYS A 69 -7.609 -7.691 -7.637 1.00 0.00 N ATOM 1060 CA LYS A 69 -8.216 -8.957 -7.138 1.00 0.00 C ATOM 1061 C LYS A 69 -9.215 -8.660 -6.025 1.00 0.00 C ATOM 1062 O LYS A 69 -9.682 -9.543 -5.334 1.00 0.00 O ATOM 1063 CB LYS A 69 -7.046 -9.793 -6.617 1.00 0.00 C ATOM 1064 CG LYS A 69 -6.604 -10.781 -7.699 1.00 0.00 C ATOM 1065 CD LYS A 69 -7.032 -12.196 -7.306 1.00 0.00 C ATOM 1066 CE LYS A 69 -8.530 -12.209 -6.991 1.00 0.00 C ATOM 1067 NZ LYS A 69 -9.094 -13.285 -7.853 1.00 0.00 N ATOM 0 H LYS A 69 -6.704 -7.454 -7.231 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.764 -9.485 -7.918 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.215 -9.143 -6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.342 -10.331 -5.717 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.047 -10.509 -8.657 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.522 -10.739 -7.824 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.814 -12.891 -8.117 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.464 -12.531 -6.438 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.710 -12.413 -5.936 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.988 -11.245 -7.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.119 -13.356 -7.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.913 -13.060 -8.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.644 -14.192 -7.616 1.00 0.00 H new ATOM 1310 N LYS B 13 -15.722 5.526 3.578 1.00 0.00 N ATOM 1311 CA LYS B 13 -15.439 5.713 2.128 1.00 0.00 C ATOM 1312 C LYS B 13 -13.927 5.800 1.912 1.00 0.00 C ATOM 1313 O LYS B 13 -13.150 5.354 2.732 1.00 0.00 O ATOM 1314 CB LYS B 13 -16.109 7.035 1.753 1.00 0.00 C ATOM 1315 CG LYS B 13 -17.192 6.779 0.703 1.00 0.00 C ATOM 1316 CD LYS B 13 -16.796 7.450 -0.613 1.00 0.00 C ATOM 1317 CE LYS B 13 -17.908 8.402 -1.057 1.00 0.00 C ATOM 1318 NZ LYS B 13 -17.236 9.718 -1.243 1.00 0.00 N ATOM 0 HA LYS B 13 -15.812 4.889 1.520 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -16.547 7.496 2.638 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -15.368 7.733 1.364 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -17.321 5.707 0.552 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -18.149 7.170 1.049 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -15.862 7.998 -0.487 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -16.621 6.695 -1.380 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -18.373 8.062 -1.982 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -18.697 8.464 -0.308 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -17.935 10.425 -1.548 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -16.808 10.020 -0.344 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -16.494 9.630 -1.967 1.00 0.00 H new ATOM 1332 N THR B 14 -13.502 6.370 0.820 1.00 0.00 N ATOM 1333 CA THR B 14 -12.042 6.479 0.562 1.00 0.00 C ATOM 1334 C THR B 14 -11.769 7.570 -0.473 1.00 0.00 C ATOM 1335 O THR B 14 -12.647 7.974 -1.209 1.00 0.00 O ATOM 1336 CB THR B 14 -11.643 5.116 0.014 1.00 0.00 C ATOM 1337 OG1 THR B 14 -12.805 4.421 -0.420 1.00 0.00 O ATOM 1338 CG2 THR B 14 -10.938 4.308 1.103 1.00 0.00 C ATOM 0 H THR B 14 -14.103 6.764 0.096 1.00 0.00 H new ATOM 0 HA THR B 14 -11.480 6.743 1.458 1.00 0.00 H new ATOM 0 HB THR B 14 -10.964 5.250 -0.828 1.00 0.00 H new ATOM 0 HG1 THR B 14 -12.548 3.544 -0.774 1.00 0.00 H new ATOM 0 HG21 THR B 14 -10.654 3.333 0.707 1.00 0.00 H new ATOM 0 HG22 THR B 14 -10.045 4.840 1.431 1.00 0.00 H new ATOM 0 HG23 THR B 14 -11.611 4.173 1.950 1.00 0.00 H new ATOM 1346 N LEU B 15 -10.559 8.050 -0.538 1.00 0.00 N ATOM 1347 CA LEU B 15 -10.234 9.111 -1.527 1.00 0.00 C ATOM 1348 C LEU B 15 -9.550 8.506 -2.750 1.00 0.00 C ATOM 1349 O LEU B 15 -8.763 7.587 -2.633 1.00 0.00 O ATOM 1350 CB LEU B 15 -9.277 10.046 -0.797 1.00 0.00 C ATOM 1351 CG LEU B 15 -10.003 10.692 0.381 1.00 0.00 C ATOM 1352 CD1 LEU B 15 -9.373 10.220 1.693 1.00 0.00 C ATOM 1353 CD2 LEU B 15 -9.883 12.213 0.276 1.00 0.00 C ATOM 0 H LEU B 15 -9.782 7.753 0.052 1.00 0.00 H new ATOM 0 HA LEU B 15 -11.125 9.627 -1.884 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -8.408 9.492 -0.443 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -8.910 10.814 -1.478 1.00 0.00 H new ATOM 0 HG LEU B 15 -11.055 10.406 0.362 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -9.892 10.682 2.533 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -9.456 9.136 1.767 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -8.321 10.506 1.715 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -10.400 12.678 1.115 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -8.831 12.497 0.296 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -10.332 12.550 -0.658 1.00 0.00 H new ATOM 1365 N PRO B 16 -9.871 9.053 -3.885 1.00 0.00 N ATOM 1366 CA PRO B 16 -9.278 8.579 -5.148 1.00 0.00 C ATOM 1367 C PRO B 16 -7.905 9.218 -5.328 1.00 0.00 C ATOM 1368 O PRO B 16 -7.139 8.843 -6.189 1.00 0.00 O ATOM 1369 CB PRO B 16 -10.254 9.081 -6.208 1.00 0.00 C ATOM 1370 CG PRO B 16 -10.934 10.269 -5.596 1.00 0.00 C ATOM 1371 CD PRO B 16 -10.808 10.157 -4.095 1.00 0.00 C ATOM 0 HA PRO B 16 -9.135 7.499 -5.193 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -9.731 9.357 -7.124 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -10.976 8.309 -6.473 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -10.477 11.193 -5.949 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -11.983 10.300 -5.889 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -10.434 11.083 -3.658 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -11.773 9.952 -3.630 1.00 0.00 H new ATOM 1379 N ARG B 17 -7.594 10.191 -4.515 1.00 0.00 N ATOM 1380 CA ARG B 17 -6.278 10.872 -4.629 1.00 0.00 C ATOM 1381 C ARG B 17 -6.069 11.799 -3.425 1.00 0.00 C ATOM 1382 O ARG B 17 -5.860 12.987 -3.574 1.00 0.00 O ATOM 1383 CB ARG B 17 -6.382 11.689 -5.915 1.00 0.00 C ATOM 1384 CG ARG B 17 -5.132 12.551 -6.064 1.00 0.00 C ATOM 1385 CD ARG B 17 -5.522 13.934 -6.588 1.00 0.00 C ATOM 1386 NE ARG B 17 -4.947 14.001 -7.960 1.00 0.00 N ATOM 1387 CZ ARG B 17 -4.960 15.127 -8.618 1.00 0.00 C ATOM 1388 NH1 ARG B 17 -6.083 15.767 -8.797 1.00 0.00 N ATOM 1389 NH2 ARG B 17 -3.848 15.614 -9.098 1.00 0.00 N ATOM 0 H ARG B 17 -8.200 10.543 -3.774 1.00 0.00 H new ATOM 0 HA ARG B 17 -5.441 10.174 -4.649 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -6.486 11.026 -6.774 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -7.271 12.318 -5.889 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -4.626 12.644 -5.103 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -4.430 12.076 -6.749 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -6.605 14.058 -6.607 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -5.122 14.724 -5.953 1.00 0.00 H new ATOM 0 HE ARG B 17 -4.543 13.166 -8.385 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -6.952 15.387 -8.422 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -6.092 16.648 -9.312 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -2.970 15.114 -8.958 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -3.857 16.495 -9.613 1.00 0.00 H new ATOM 1403 N VAL B 18 -6.124 11.267 -2.233 1.00 0.00 N ATOM 1404 CA VAL B 18 -5.920 12.130 -1.023 1.00 0.00 C ATOM 1405 C VAL B 18 -4.758 13.084 -1.271 1.00 0.00 C ATOM 1406 O VAL B 18 -4.054 12.956 -2.249 1.00 0.00 O ATOM 1407 CB VAL B 18 -5.601 11.160 0.122 1.00 0.00 C ATOM 1408 CG1 VAL B 18 -4.876 9.925 -0.420 1.00 0.00 C ATOM 1409 CG2 VAL B 18 -4.708 11.854 1.151 1.00 0.00 C ATOM 0 H VAL B 18 -6.300 10.281 -2.041 1.00 0.00 H new ATOM 0 HA VAL B 18 -6.794 12.739 -0.790 1.00 0.00 H new ATOM 0 HB VAL B 18 -6.535 10.853 0.592 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -4.655 9.243 0.401 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -5.511 9.421 -1.149 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -3.946 10.230 -0.899 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -4.483 11.162 1.963 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -3.779 12.168 0.674 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -5.224 12.727 1.550 1.00 0.00 H new ATOM 1419 N ASP B 19 -4.547 14.037 -0.396 1.00 0.00 N ATOM 1420 CA ASP B 19 -3.418 14.989 -0.593 1.00 0.00 C ATOM 1421 C ASP B 19 -2.227 14.213 -1.146 1.00 0.00 C ATOM 1422 O ASP B 19 -1.315 13.838 -0.437 1.00 0.00 O ATOM 1423 CB ASP B 19 -3.135 15.536 0.801 1.00 0.00 C ATOM 1424 CG ASP B 19 -2.306 16.816 0.696 1.00 0.00 C ATOM 1425 OD1 ASP B 19 -1.864 17.123 -0.399 1.00 0.00 O ATOM 1426 OD2 ASP B 19 -2.129 17.468 1.712 1.00 0.00 O ATOM 0 H ASP B 19 -5.107 14.194 0.442 1.00 0.00 H new ATOM 0 HA ASP B 19 -3.632 15.796 -1.293 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -4.072 15.740 1.319 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -2.600 14.793 1.392 1.00 0.00 H new ATOM 1431 N PHE B 20 -2.278 13.926 -2.413 1.00 0.00 N ATOM 1432 CA PHE B 20 -1.216 13.123 -3.064 1.00 0.00 C ATOM 1433 C PHE B 20 0.188 13.573 -2.684 1.00 0.00 C ATOM 1434 O PHE B 20 0.854 12.940 -1.890 1.00 0.00 O ATOM 1435 CB PHE B 20 -1.459 13.306 -4.556 1.00 0.00 C ATOM 1436 CG PHE B 20 -1.356 11.962 -5.204 1.00 0.00 C ATOM 1437 CD1 PHE B 20 -2.454 11.100 -5.198 1.00 0.00 C ATOM 1438 CD2 PHE B 20 -0.152 11.569 -5.786 1.00 0.00 C ATOM 1439 CE1 PHE B 20 -2.348 9.837 -5.781 1.00 0.00 C ATOM 1440 CE2 PHE B 20 -0.042 10.313 -6.369 1.00 0.00 C ATOM 1441 CZ PHE B 20 -1.143 9.441 -6.365 1.00 0.00 C ATOM 0 H PHE B 20 -3.029 14.222 -3.037 1.00 0.00 H new ATOM 0 HA PHE B 20 -1.266 12.081 -2.747 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -2.443 13.741 -4.732 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -0.726 13.992 -4.981 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -3.383 11.410 -4.743 1.00 0.00 H new ATOM 0 HD2 PHE B 20 0.694 12.240 -5.784 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -3.195 9.167 -5.781 1.00 0.00 H new ATOM 0 HE2 PHE B 20 0.888 10.008 -6.824 1.00 0.00 H new ATOM 0 HZ PHE B 20 -1.058 8.463 -6.814 1.00 0.00 H new ATOM 1451 N LYS B 21 0.662 14.632 -3.261 1.00 0.00 N ATOM 1452 CA LYS B 21 2.041 15.076 -2.943 1.00 0.00 C ATOM 1453 C LYS B 21 2.307 14.934 -1.440 1.00 0.00 C ATOM 1454 O LYS B 21 3.434 14.791 -1.010 1.00 0.00 O ATOM 1455 CB LYS B 21 2.104 16.543 -3.370 1.00 0.00 C ATOM 1456 CG LYS B 21 1.886 16.646 -4.880 1.00 0.00 C ATOM 1457 CD LYS B 21 0.858 17.740 -5.175 1.00 0.00 C ATOM 1458 CE LYS B 21 1.509 18.844 -6.011 1.00 0.00 C ATOM 1459 NZ LYS B 21 0.525 19.962 -6.004 1.00 0.00 N ATOM 0 H LYS B 21 0.159 15.208 -3.936 1.00 0.00 H new ATOM 0 HA LYS B 21 2.794 14.478 -3.456 1.00 0.00 H new ATOM 0 HB2 LYS B 21 1.344 17.119 -2.842 1.00 0.00 H new ATOM 0 HB3 LYS B 21 3.071 16.969 -3.102 1.00 0.00 H new ATOM 0 HG2 LYS B 21 2.828 16.873 -5.379 1.00 0.00 H new ATOM 0 HG3 LYS B 21 1.539 15.691 -5.274 1.00 0.00 H new ATOM 0 HD2 LYS B 21 0.007 17.319 -5.710 1.00 0.00 H new ATOM 0 HD3 LYS B 21 0.475 18.154 -4.242 1.00 0.00 H new ATOM 0 HE2 LYS B 21 2.462 19.154 -5.582 1.00 0.00 H new ATOM 0 HE3 LYS B 21 1.712 18.503 -7.026 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 0.900 20.758 -6.558 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -0.370 19.639 -6.424 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 0.357 20.270 -5.025 1.00 0.00 H new ATOM 1473 N ASN B 22 1.275 14.968 -0.636 1.00 0.00 N ATOM 1474 CA ASN B 22 1.468 14.830 0.833 1.00 0.00 C ATOM 1475 C ASN B 22 1.552 13.356 1.219 1.00 0.00 C ATOM 1476 O ASN B 22 2.214 12.986 2.168 1.00 0.00 O ATOM 1477 CB ASN B 22 0.222 15.456 1.445 1.00 0.00 C ATOM 1478 CG ASN B 22 0.627 16.476 2.512 1.00 0.00 C ATOM 1479 OD1 ASN B 22 1.716 17.014 2.474 1.00 0.00 O ATOM 1480 ND2 ASN B 22 -0.210 16.766 3.470 1.00 0.00 N ATOM 0 H ASN B 22 0.307 15.086 -0.937 1.00 0.00 H new ATOM 0 HA ASN B 22 2.387 15.306 1.175 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -0.370 15.942 0.670 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -0.405 14.682 1.888 1.00 0.00 H new ATOM 0 HD21 ASN B 22 0.050 17.444 4.186 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -1.124 16.315 3.502 1.00 0.00 H new ATOM 1487 N ILE B 23 0.870 12.513 0.494 1.00 0.00 N ATOM 1488 CA ILE B 23 0.891 11.062 0.820 1.00 0.00 C ATOM 1489 C ILE B 23 2.302 10.633 1.242 1.00 0.00 C ATOM 1490 O ILE B 23 3.213 10.571 0.442 1.00 0.00 O ATOM 1491 CB ILE B 23 0.446 10.359 -0.472 1.00 0.00 C ATOM 1492 CG1 ILE B 23 -0.870 9.621 -0.218 1.00 0.00 C ATOM 1493 CG2 ILE B 23 1.505 9.353 -0.925 1.00 0.00 C ATOM 1494 CD1 ILE B 23 -1.973 10.637 0.081 1.00 0.00 C ATOM 0 H ILE B 23 0.298 12.768 -0.311 1.00 0.00 H new ATOM 0 HA ILE B 23 0.236 10.809 1.654 1.00 0.00 H new ATOM 0 HB ILE B 23 0.312 11.108 -1.252 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -1.138 9.023 -1.089 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -0.758 8.933 0.620 1.00 0.00 H new ATOM 0 HG21 ILE B 23 1.174 8.864 -1.841 1.00 0.00 H new ATOM 0 HG22 ILE B 23 2.445 9.873 -1.110 1.00 0.00 H new ATOM 0 HG23 ILE B 23 1.652 8.604 -0.147 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -2.911 10.113 0.262 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -1.704 11.216 0.965 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -2.091 11.307 -0.770 1.00 0.00 H new ATOM 1506 N GLN B 24 2.484 10.341 2.501 1.00 0.00 N ATOM 1507 CA GLN B 24 3.833 9.916 2.986 1.00 0.00 C ATOM 1508 C GLN B 24 3.835 8.420 3.309 1.00 0.00 C ATOM 1509 O GLN B 24 4.863 7.838 3.588 1.00 0.00 O ATOM 1510 CB GLN B 24 4.081 10.743 4.247 1.00 0.00 C ATOM 1511 CG GLN B 24 5.245 10.140 5.034 1.00 0.00 C ATOM 1512 CD GLN B 24 5.553 11.018 6.248 1.00 0.00 C ATOM 1513 OE1 GLN B 24 6.665 11.034 6.735 1.00 0.00 O ATOM 1514 NE2 GLN B 24 4.606 11.756 6.761 1.00 0.00 N ATOM 0 H GLN B 24 1.758 10.378 3.217 1.00 0.00 H new ATOM 0 HA GLN B 24 4.609 10.076 2.238 1.00 0.00 H new ATOM 0 HB2 GLN B 24 4.306 11.775 3.979 1.00 0.00 H new ATOM 0 HB3 GLN B 24 3.183 10.762 4.864 1.00 0.00 H new ATOM 0 HG2 GLN B 24 4.994 9.130 5.357 1.00 0.00 H new ATOM 0 HG3 GLN B 24 6.126 10.061 4.397 1.00 0.00 H new ATOM 0 HE21 GLN B 24 3.672 11.743 6.352 1.00 0.00 H new ATOM 0 HE22 GLN B 24 4.801 12.345 7.570 1.00 0.00 H new ATOM 1523 N SER B 25 2.695 7.795 3.266 1.00 0.00 N ATOM 1524 CA SER B 25 2.631 6.336 3.560 1.00 0.00 C ATOM 1525 C SER B 25 1.379 5.739 2.917 1.00 0.00 C ATOM 1526 O SER B 25 0.447 6.444 2.584 1.00 0.00 O ATOM 1527 CB SER B 25 2.563 6.228 5.082 1.00 0.00 C ATOM 1528 OG SER B 25 1.202 6.205 5.491 1.00 0.00 O ATOM 0 H SER B 25 1.801 8.231 3.039 1.00 0.00 H new ATOM 0 HA SER B 25 3.490 5.794 3.164 1.00 0.00 H new ATOM 0 HB2 SER B 25 3.071 5.323 5.417 1.00 0.00 H new ATOM 0 HB3 SER B 25 3.079 7.071 5.541 1.00 0.00 H new ATOM 0 HG SER B 25 1.134 6.510 6.420 1.00 0.00 H new ATOM 1534 N LEU B 26 1.350 4.451 2.730 1.00 0.00 N ATOM 1535 CA LEU B 26 0.155 3.827 2.098 1.00 0.00 C ATOM 1536 C LEU B 26 -0.139 2.466 2.730 1.00 0.00 C ATOM 1537 O LEU B 26 0.715 1.857 3.340 1.00 0.00 O ATOM 1538 CB LEU B 26 0.537 3.659 0.628 1.00 0.00 C ATOM 1539 CG LEU B 26 -0.247 4.658 -0.220 1.00 0.00 C ATOM 1540 CD1 LEU B 26 0.037 4.408 -1.702 1.00 0.00 C ATOM 1541 CD2 LEU B 26 -1.742 4.483 0.047 1.00 0.00 C ATOM 0 H LEU B 26 2.097 3.805 2.985 1.00 0.00 H new ATOM 0 HA LEU B 26 -0.742 4.433 2.227 1.00 0.00 H new ATOM 0 HB2 LEU B 26 1.608 3.818 0.499 1.00 0.00 H new ATOM 0 HB3 LEU B 26 0.324 2.642 0.300 1.00 0.00 H new ATOM 0 HG LEU B 26 0.056 5.672 0.040 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -0.524 5.122 -2.305 1.00 0.00 H new ATOM 0 HD12 LEU B 26 1.103 4.529 -1.894 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -0.266 3.394 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -2.305 5.195 -0.557 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -2.042 3.468 -0.214 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -1.946 4.661 1.103 1.00 0.00 H new ATOM 1553 N SER B 27 -1.344 1.989 2.580 1.00 0.00 N ATOM 1554 CA SER B 27 -1.707 0.664 3.156 1.00 0.00 C ATOM 1555 C SER B 27 -2.883 0.074 2.374 1.00 0.00 C ATOM 1556 O SER B 27 -3.987 0.579 2.421 1.00 0.00 O ATOM 1557 CB SER B 27 -2.106 0.949 4.602 1.00 0.00 C ATOM 1558 OG SER B 27 -1.138 0.380 5.476 1.00 0.00 O ATOM 0 H SER B 27 -2.097 2.463 2.080 1.00 0.00 H new ATOM 0 HA SER B 27 -0.889 -0.055 3.105 1.00 0.00 H new ATOM 0 HB2 SER B 27 -2.175 2.024 4.767 1.00 0.00 H new ATOM 0 HB3 SER B 27 -3.091 0.531 4.809 1.00 0.00 H new ATOM 0 HG SER B 27 -0.260 0.775 5.294 1.00 0.00 H new ATOM 1564 N VAL B 28 -2.657 -0.979 1.638 1.00 0.00 N ATOM 1565 CA VAL B 28 -3.769 -1.572 0.839 1.00 0.00 C ATOM 1566 C VAL B 28 -4.207 -2.922 1.413 1.00 0.00 C ATOM 1567 O VAL B 28 -3.414 -3.826 1.587 1.00 0.00 O ATOM 1568 CB VAL B 28 -3.190 -1.755 -0.563 1.00 0.00 C ATOM 1569 CG1 VAL B 28 -4.158 -2.581 -1.412 1.00 0.00 C ATOM 1570 CG2 VAL B 28 -2.986 -0.384 -1.211 1.00 0.00 C ATOM 0 H VAL B 28 -1.757 -1.453 1.555 1.00 0.00 H new ATOM 0 HA VAL B 28 -4.653 -0.935 0.847 1.00 0.00 H new ATOM 0 HB VAL B 28 -2.233 -2.273 -0.497 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.745 -2.711 -2.412 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.305 -3.557 -0.950 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -5.115 -2.064 -1.480 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -2.573 -0.512 -2.211 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -3.943 0.133 -1.277 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -2.296 0.205 -0.607 1.00 0.00 H new ATOM 1580 N THR B 29 -5.473 -3.061 1.690 1.00 0.00 N ATOM 1581 CA THR B 29 -5.994 -4.347 2.235 1.00 0.00 C ATOM 1582 C THR B 29 -7.257 -4.741 1.467 1.00 0.00 C ATOM 1583 O THR B 29 -7.952 -3.893 0.940 1.00 0.00 O ATOM 1584 CB THR B 29 -6.313 -4.060 3.703 1.00 0.00 C ATOM 1585 OG1 THR B 29 -6.631 -5.277 4.364 1.00 0.00 O ATOM 1586 CG2 THR B 29 -7.500 -3.102 3.795 1.00 0.00 C ATOM 0 H THR B 29 -6.176 -2.333 1.561 1.00 0.00 H new ATOM 0 HA THR B 29 -5.284 -5.169 2.139 1.00 0.00 H new ATOM 0 HB THR B 29 -5.445 -3.603 4.179 1.00 0.00 H new ATOM 0 HG1 THR B 29 -6.834 -5.095 5.305 1.00 0.00 H new ATOM 0 HG21 THR B 29 -7.724 -2.900 4.842 1.00 0.00 H new ATOM 0 HG22 THR B 29 -7.254 -2.168 3.290 1.00 0.00 H new ATOM 0 HG23 THR B 29 -8.370 -3.554 3.318 1.00 0.00 H new ATOM 1594 N PRO B 30 -7.506 -6.016 1.411 1.00 0.00 N ATOM 1595 CA PRO B 30 -8.689 -6.528 0.680 1.00 0.00 C ATOM 1596 C PRO B 30 -9.983 -6.225 1.440 1.00 0.00 C ATOM 1597 O PRO B 30 -9.959 -5.663 2.517 1.00 0.00 O ATOM 1598 CB PRO B 30 -8.437 -8.031 0.603 1.00 0.00 C ATOM 1599 CG PRO B 30 -7.529 -8.335 1.753 1.00 0.00 C ATOM 1600 CD PRO B 30 -6.718 -7.094 2.018 1.00 0.00 C ATOM 0 HA PRO B 30 -8.812 -6.067 -0.300 1.00 0.00 H new ATOM 0 HB2 PRO B 30 -9.369 -8.591 0.678 1.00 0.00 H new ATOM 0 HB3 PRO B 30 -7.976 -8.305 -0.346 1.00 0.00 H new ATOM 0 HG2 PRO B 30 -8.105 -8.614 2.635 1.00 0.00 H new ATOM 0 HG3 PRO B 30 -6.878 -9.177 1.518 1.00 0.00 H new ATOM 0 HD2 PRO B 30 -6.576 -6.931 3.086 1.00 0.00 H new ATOM 0 HD3 PRO B 30 -5.726 -7.163 1.571 1.00 0.00 H new ATOM 1608 N PRO B 31 -11.075 -6.608 0.834 1.00 0.00 N ATOM 1609 CA PRO B 31 -12.412 -6.376 1.438 1.00 0.00 C ATOM 1610 C PRO B 31 -12.623 -7.262 2.667 1.00 0.00 C ATOM 1611 O PRO B 31 -11.688 -7.782 3.243 1.00 0.00 O ATOM 1612 CB PRO B 31 -13.379 -6.765 0.321 1.00 0.00 C ATOM 1613 CG PRO B 31 -12.611 -7.715 -0.538 1.00 0.00 C ATOM 1614 CD PRO B 31 -11.169 -7.290 -0.463 1.00 0.00 C ATOM 0 HA PRO B 31 -12.546 -5.351 1.784 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -14.278 -7.233 0.722 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -13.700 -5.891 -0.246 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -12.732 -8.740 -0.187 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -12.971 -7.686 -1.566 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -10.496 -8.146 -0.515 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -10.904 -6.625 -1.285 1.00 0.00 H new ATOM 1697 N THR B 38 -12.544 -3.901 -1.315 1.00 0.00 N ATOM 1698 CA THR B 38 -11.096 -3.590 -1.137 1.00 0.00 C ATOM 1699 C THR B 38 -10.936 -2.161 -0.616 1.00 0.00 C ATOM 1700 O THR B 38 -11.706 -1.282 -0.949 1.00 0.00 O ATOM 1701 CB THR B 38 -10.481 -3.725 -2.532 1.00 0.00 C ATOM 1702 OG1 THR B 38 -11.401 -4.383 -3.392 1.00 0.00 O ATOM 1703 CG2 THR B 38 -9.186 -4.537 -2.450 1.00 0.00 C ATOM 0 HA THR B 38 -10.613 -4.253 -0.419 1.00 0.00 H new ATOM 0 HB THR B 38 -10.258 -2.733 -2.926 1.00 0.00 H new ATOM 0 HG1 THR B 38 -12.115 -4.790 -2.858 1.00 0.00 H new ATOM 0 HG21 THR B 38 -8.752 -4.631 -3.445 1.00 0.00 H new ATOM 0 HG22 THR B 38 -8.480 -4.030 -1.792 1.00 0.00 H new ATOM 0 HG23 THR B 38 -9.403 -5.529 -2.054 1.00 0.00 H new ATOM 1711 N GLU B 39 -9.950 -1.919 0.202 1.00 0.00 N ATOM 1712 CA GLU B 39 -9.764 -0.542 0.740 1.00 0.00 C ATOM 1713 C GLU B 39 -8.281 -0.239 0.965 1.00 0.00 C ATOM 1714 O GLU B 39 -7.476 -1.129 1.153 1.00 0.00 O ATOM 1715 CB GLU B 39 -10.511 -0.543 2.070 1.00 0.00 C ATOM 1716 CG GLU B 39 -11.040 0.859 2.346 1.00 0.00 C ATOM 1717 CD GLU B 39 -10.892 1.180 3.833 1.00 0.00 C ATOM 1718 OE1 GLU B 39 -9.776 1.129 4.324 1.00 0.00 O ATOM 1719 OE2 GLU B 39 -11.898 1.473 4.459 1.00 0.00 O ATOM 0 H GLU B 39 -9.269 -2.609 0.520 1.00 0.00 H new ATOM 0 HA GLU B 39 -10.135 0.218 0.052 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.335 -1.256 2.038 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.847 -0.859 2.874 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -10.492 1.589 1.750 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -12.087 0.928 2.051 1.00 0.00 H new ATOM 1726 N VAL B 40 -7.914 1.016 0.951 1.00 0.00 N ATOM 1727 CA VAL B 40 -6.482 1.373 1.169 1.00 0.00 C ATOM 1728 C VAL B 40 -6.352 2.430 2.269 1.00 0.00 C ATOM 1729 O VAL B 40 -7.330 2.967 2.750 1.00 0.00 O ATOM 1730 CB VAL B 40 -6.006 1.936 -0.169 1.00 0.00 C ATOM 1731 CG1 VAL B 40 -4.481 2.059 -0.158 1.00 0.00 C ATOM 1732 CG2 VAL B 40 -6.433 0.996 -1.294 1.00 0.00 C ATOM 0 H VAL B 40 -8.541 1.806 0.799 1.00 0.00 H new ATOM 0 HA VAL B 40 -5.891 0.514 1.487 1.00 0.00 H new ATOM 0 HB VAL B 40 -6.447 2.920 -0.328 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -4.141 2.461 -1.113 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -4.176 2.728 0.646 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -4.038 1.076 0.000 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -6.095 1.395 -2.250 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -5.990 0.013 -1.134 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -7.519 0.908 -1.302 1.00 0.00 H new ATOM 1742 N ILE B 41 -5.146 2.731 2.661 1.00 0.00 N ATOM 1743 CA ILE B 41 -4.926 3.754 3.721 1.00 0.00 C ATOM 1744 C ILE B 41 -3.617 4.489 3.451 1.00 0.00 C ATOM 1745 O ILE B 41 -2.563 3.891 3.378 1.00 0.00 O ATOM 1746 CB ILE B 41 -4.842 2.966 5.027 1.00 0.00 C ATOM 1747 CG1 ILE B 41 -6.175 2.261 5.286 1.00 0.00 C ATOM 1748 CG2 ILE B 41 -4.539 3.923 6.183 1.00 0.00 C ATOM 1749 CD1 ILE B 41 -6.108 0.830 4.749 1.00 0.00 C ATOM 0 H ILE B 41 -4.296 2.308 2.289 1.00 0.00 H new ATOM 0 HA ILE B 41 -5.719 4.501 3.756 1.00 0.00 H new ATOM 0 HB ILE B 41 -4.047 2.224 4.951 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -6.391 2.250 6.354 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -6.986 2.805 4.802 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -4.479 3.361 7.115 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -3.589 4.425 6.000 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -5.333 4.666 6.258 1.00 0.00 H new ATOM 0 HD11 ILE B 41 -7.057 0.327 4.933 1.00 0.00 H new ATOM 0 HD12 ILE B 41 -5.911 0.852 3.677 1.00 0.00 H new ATOM 0 HD13 ILE B 41 -5.307 0.289 5.253 1.00 0.00 H new ATOM 1761 N ALA B 42 -3.673 5.778 3.285 1.00 0.00 N ATOM 1762 CA ALA B 42 -2.427 6.536 2.998 1.00 0.00 C ATOM 1763 C ALA B 42 -2.222 7.657 4.015 1.00 0.00 C ATOM 1764 O ALA B 42 -3.163 8.228 4.527 1.00 0.00 O ATOM 1765 CB ALA B 42 -2.652 7.125 1.608 1.00 0.00 C ATOM 0 H ALA B 42 -4.524 6.338 3.335 1.00 0.00 H new ATOM 0 HA ALA B 42 -1.542 5.902 3.052 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -1.777 7.704 1.312 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -2.812 6.318 0.892 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -3.528 7.773 1.625 1.00 0.00 H new ATOM 1771 N THR B 43 -0.992 7.992 4.285 1.00 0.00 N ATOM 1772 CA THR B 43 -0.715 9.096 5.246 1.00 0.00 C ATOM 1773 C THR B 43 -0.184 10.296 4.468 1.00 0.00 C ATOM 1774 O THR B 43 0.352 10.152 3.392 1.00 0.00 O ATOM 1775 CB THR B 43 0.356 8.560 6.196 1.00 0.00 C ATOM 1776 OG1 THR B 43 -0.161 7.447 6.911 1.00 0.00 O ATOM 1777 CG2 THR B 43 0.760 9.661 7.180 1.00 0.00 C ATOM 0 H THR B 43 -0.166 7.549 3.882 1.00 0.00 H new ATOM 0 HA THR B 43 -1.603 9.410 5.795 1.00 0.00 H new ATOM 0 HB THR B 43 1.229 8.248 5.624 1.00 0.00 H new ATOM 0 HG1 THR B 43 -0.307 6.701 6.293 1.00 0.00 H new ATOM 0 HG21 THR B 43 1.524 9.280 7.858 1.00 0.00 H new ATOM 0 HG22 THR B 43 1.156 10.514 6.629 1.00 0.00 H new ATOM 0 HG23 THR B 43 -0.112 9.974 7.754 1.00 0.00 H new ATOM 1785 N LEU B 44 -0.355 11.477 4.981 1.00 0.00 N ATOM 1786 CA LEU B 44 0.117 12.674 4.239 1.00 0.00 C ATOM 1787 C LEU B 44 1.331 13.306 4.919 1.00 0.00 C ATOM 1788 O LEU B 44 1.735 12.908 5.994 1.00 0.00 O ATOM 1789 CB LEU B 44 -1.071 13.618 4.288 1.00 0.00 C ATOM 1790 CG LEU B 44 -2.327 12.867 3.856 1.00 0.00 C ATOM 1791 CD1 LEU B 44 -3.560 13.668 4.255 1.00 0.00 C ATOM 1792 CD2 LEU B 44 -2.309 12.678 2.341 1.00 0.00 C ATOM 0 H LEU B 44 -0.800 11.666 5.879 1.00 0.00 H new ATOM 0 HA LEU B 44 0.435 12.436 3.224 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -1.197 14.011 5.297 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -0.900 14.472 3.632 1.00 0.00 H new ATOM 0 HG LEU B 44 -2.355 11.892 4.343 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -4.458 13.132 3.947 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -3.572 13.803 5.337 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -3.534 14.643 3.768 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -3.206 12.142 2.031 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -2.282 13.652 1.853 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -1.427 12.105 2.056 1.00 0.00 H new ATOM 1804 N LYS B 45 1.917 14.291 4.293 1.00 0.00 N ATOM 1805 CA LYS B 45 3.107 14.954 4.895 1.00 0.00 C ATOM 1806 C LYS B 45 2.669 16.077 5.837 1.00 0.00 C ATOM 1807 O LYS B 45 2.129 17.080 5.413 1.00 0.00 O ATOM 1808 CB LYS B 45 3.887 15.522 3.710 1.00 0.00 C ATOM 1809 CG LYS B 45 5.196 14.747 3.543 1.00 0.00 C ATOM 1810 CD LYS B 45 6.378 15.670 3.840 1.00 0.00 C ATOM 1811 CE LYS B 45 6.571 16.645 2.675 1.00 0.00 C ATOM 1812 NZ LYS B 45 7.835 16.212 2.018 1.00 0.00 N ATOM 0 H LYS B 45 1.622 14.664 3.391 1.00 0.00 H new ATOM 0 HA LYS B 45 3.709 14.263 5.485 1.00 0.00 H new ATOM 0 HB2 LYS B 45 3.291 15.450 2.800 1.00 0.00 H new ATOM 0 HB3 LYS B 45 4.096 16.580 3.872 1.00 0.00 H new ATOM 0 HG2 LYS B 45 5.212 13.890 4.217 1.00 0.00 H new ATOM 0 HG3 LYS B 45 5.272 14.356 2.528 1.00 0.00 H new ATOM 0 HD2 LYS B 45 6.200 16.221 4.763 1.00 0.00 H new ATOM 0 HD3 LYS B 45 7.283 15.082 3.990 1.00 0.00 H new ATOM 0 HE2 LYS B 45 5.731 16.603 1.982 1.00 0.00 H new ATOM 0 HE3 LYS B 45 6.642 17.674 3.028 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 8.036 16.833 1.208 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 8.618 16.269 2.700 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 7.735 15.231 1.686 1.00 0.00 H new ATOM 1826 N GLY B 46 2.898 15.919 7.111 1.00 0.00 N ATOM 1827 CA GLY B 46 2.498 16.977 8.076 1.00 0.00 C ATOM 1828 C GLY B 46 1.717 16.352 9.233 1.00 0.00 C ATOM 1829 O GLY B 46 1.546 16.955 10.274 1.00 0.00 O ATOM 0 H GLY B 46 3.346 15.101 7.525 1.00 0.00 H new ATOM 0 HA2 GLY B 46 3.382 17.489 8.456 1.00 0.00 H new ATOM 0 HA3 GLY B 46 1.886 17.727 7.575 1.00 0.00 H new ATOM 1833 N GLY B 47 1.241 15.148 9.063 1.00 0.00 N ATOM 1834 CA GLY B 47 0.473 14.495 10.156 1.00 0.00 C ATOM 1835 C GLY B 47 -1.010 14.464 9.789 1.00 0.00 C ATOM 1836 O GLY B 47 -1.813 15.194 10.336 1.00 0.00 O ATOM 0 H GLY B 47 1.352 14.591 8.216 1.00 0.00 H new ATOM 0 HA2 GLY B 47 0.840 13.481 10.317 1.00 0.00 H new ATOM 0 HA3 GLY B 47 0.616 15.038 11.090 1.00 0.00 H new ATOM 1840 N GLN B 48 -1.375 13.623 8.865 1.00 0.00 N ATOM 1841 CA GLN B 48 -2.802 13.533 8.453 1.00 0.00 C ATOM 1842 C GLN B 48 -2.992 12.335 7.522 1.00 0.00 C ATOM 1843 O GLN B 48 -2.702 12.399 6.345 1.00 0.00 O ATOM 1844 CB GLN B 48 -3.087 14.841 7.714 1.00 0.00 C ATOM 1845 CG GLN B 48 -3.880 15.779 8.625 1.00 0.00 C ATOM 1846 CD GLN B 48 -4.704 16.745 7.771 1.00 0.00 C ATOM 1847 OE1 GLN B 48 -4.307 17.871 7.552 1.00 0.00 O ATOM 1848 NE2 GLN B 48 -5.844 16.347 7.276 1.00 0.00 N ATOM 0 H GLN B 48 -0.743 12.990 8.374 1.00 0.00 H new ATOM 0 HA GLN B 48 -3.475 13.396 9.299 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -2.151 15.313 7.414 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -3.650 14.641 6.802 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -4.537 15.202 9.276 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -3.201 16.336 9.270 1.00 0.00 H new ATOM 0 HE21 GLN B 48 -6.177 15.401 7.460 1.00 0.00 H new ATOM 0 HE22 GLN B 48 -6.402 16.982 6.705 1.00 0.00 H new ATOM 1857 N LYS B 49 -3.466 11.239 8.044 1.00 0.00 N ATOM 1858 CA LYS B 49 -3.662 10.035 7.192 1.00 0.00 C ATOM 1859 C LYS B 49 -5.144 9.773 6.966 1.00 0.00 C ATOM 1860 O LYS B 49 -6.002 10.403 7.550 1.00 0.00 O ATOM 1861 CB LYS B 49 -3.039 8.892 7.988 1.00 0.00 C ATOM 1862 CG LYS B 49 -3.408 7.543 7.367 1.00 0.00 C ATOM 1863 CD LYS B 49 -2.775 6.417 8.188 1.00 0.00 C ATOM 1864 CE LYS B 49 -3.086 6.630 9.671 1.00 0.00 C ATOM 1865 NZ LYS B 49 -4.571 6.734 9.741 1.00 0.00 N ATOM 0 H LYS B 49 -3.726 11.125 9.024 1.00 0.00 H new ATOM 0 HA LYS B 49 -3.210 10.152 6.207 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -1.955 9.005 8.010 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -3.384 8.930 9.021 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -4.491 7.425 7.342 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -3.059 7.497 6.336 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -3.161 5.452 7.860 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -1.697 6.400 8.030 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -2.719 5.800 10.275 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -2.609 7.534 10.049 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -4.906 6.318 10.633 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -4.851 7.735 9.699 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -4.993 6.222 8.940 1.00 0.00 H new ATOM 1879 N VAL B 50 -5.438 8.839 6.118 1.00 0.00 N ATOM 1880 CA VAL B 50 -6.866 8.505 5.825 1.00 0.00 C ATOM 1881 C VAL B 50 -6.953 7.213 5.006 1.00 0.00 C ATOM 1882 O VAL B 50 -6.018 6.441 4.942 1.00 0.00 O ATOM 1883 CB VAL B 50 -7.399 9.687 5.011 1.00 0.00 C ATOM 1884 CG1 VAL B 50 -7.923 10.769 5.957 1.00 0.00 C ATOM 1885 CG2 VAL B 50 -6.274 10.268 4.148 1.00 0.00 C ATOM 0 H VAL B 50 -4.752 8.284 5.607 1.00 0.00 H new ATOM 0 HA VAL B 50 -7.442 8.346 6.737 1.00 0.00 H new ATOM 0 HB VAL B 50 -8.209 9.343 4.368 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -8.302 11.609 5.375 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -8.727 10.359 6.568 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -7.114 11.111 6.603 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -6.656 11.109 3.570 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -5.462 10.608 4.790 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -5.903 9.500 3.469 1.00 0.00 H new ATOM 1895 N CYS B 51 -8.074 6.975 4.377 1.00 0.00 N ATOM 1896 CA CYS B 51 -8.228 5.739 3.561 1.00 0.00 C ATOM 1897 C CYS B 51 -8.264 6.098 2.077 1.00 0.00 C ATOM 1898 O CYS B 51 -8.714 7.161 1.698 1.00 0.00 O ATOM 1899 CB CYS B 51 -9.559 5.141 4.009 1.00 0.00 C ATOM 1900 SG CYS B 51 -9.337 4.302 5.597 1.00 0.00 S ATOM 0 H CYS B 51 -8.890 7.586 4.395 1.00 0.00 H new ATOM 0 HA CYS B 51 -7.404 5.039 3.696 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -10.310 5.926 4.102 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -9.924 4.437 3.261 1.00 0.00 H new ATOM 0 HG CYS B 51 -9.476 3.020 5.434 1.00 0.00 H new ATOM 1905 N LEU B 52 -7.768 5.234 1.233 1.00 0.00 N ATOM 1906 CA LEU B 52 -7.748 5.544 -0.211 1.00 0.00 C ATOM 1907 C LEU B 52 -8.741 4.674 -0.985 1.00 0.00 C ATOM 1908 O LEU B 52 -9.162 3.628 -0.528 1.00 0.00 O ATOM 1909 CB LEU B 52 -6.324 5.216 -0.615 1.00 0.00 C ATOM 1910 CG LEU B 52 -5.644 6.474 -1.142 1.00 0.00 C ATOM 1911 CD1 LEU B 52 -4.130 6.297 -1.057 1.00 0.00 C ATOM 1912 CD2 LEU B 52 -6.053 6.709 -2.597 1.00 0.00 C ATOM 0 H LEU B 52 -7.377 4.327 1.489 1.00 0.00 H new ATOM 0 HA LEU B 52 -8.035 6.574 -0.424 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -5.773 4.823 0.240 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -6.321 4.440 -1.381 1.00 0.00 H new ATOM 0 HG LEU B 52 -5.947 7.333 -0.543 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -3.637 7.194 -1.433 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -3.841 6.132 -0.019 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -3.830 5.439 -1.658 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -5.565 7.609 -2.971 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -5.751 5.854 -3.202 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -7.135 6.831 -2.656 1.00 0.00 H new ATOM 1924 N ASP B 53 -9.104 5.118 -2.161 1.00 0.00 N ATOM 1925 CA ASP B 53 -10.065 4.359 -3.017 1.00 0.00 C ATOM 1926 C ASP B 53 -9.691 2.870 -3.069 1.00 0.00 C ATOM 1927 O ASP B 53 -8.945 2.390 -2.241 1.00 0.00 O ATOM 1928 CB ASP B 53 -9.920 5.008 -4.394 1.00 0.00 C ATOM 1929 CG ASP B 53 -11.297 5.428 -4.913 1.00 0.00 C ATOM 1930 OD1 ASP B 53 -12.055 5.988 -4.137 1.00 0.00 O ATOM 1931 OD2 ASP B 53 -11.570 5.185 -6.077 1.00 0.00 O ATOM 0 H ASP B 53 -8.769 5.990 -2.571 1.00 0.00 H new ATOM 0 HA ASP B 53 -11.087 4.397 -2.641 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -9.264 5.876 -4.330 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -9.456 4.309 -5.090 1.00 0.00 H new ATOM 1936 N PRO B 54 -10.227 2.179 -4.044 1.00 0.00 N ATOM 1937 CA PRO B 54 -9.944 0.736 -4.185 1.00 0.00 C ATOM 1938 C PRO B 54 -8.631 0.550 -4.941 1.00 0.00 C ATOM 1939 O PRO B 54 -8.619 0.328 -6.134 1.00 0.00 O ATOM 1940 CB PRO B 54 -11.127 0.222 -4.998 1.00 0.00 C ATOM 1941 CG PRO B 54 -11.640 1.407 -5.764 1.00 0.00 C ATOM 1942 CD PRO B 54 -11.128 2.664 -5.098 1.00 0.00 C ATOM 0 HA PRO B 54 -9.835 0.210 -3.237 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -10.820 -0.577 -5.673 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -11.900 -0.188 -4.348 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -11.304 1.363 -6.800 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -12.730 1.404 -5.782 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -10.602 3.303 -5.807 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -11.945 3.254 -4.682 1.00 0.00 H new ATOM 1950 N GLU B 55 -7.525 0.670 -4.261 1.00 0.00 N ATOM 1951 CA GLU B 55 -6.218 0.539 -4.956 1.00 0.00 C ATOM 1952 C GLU B 55 -6.114 1.668 -5.975 1.00 0.00 C ATOM 1953 O GLU B 55 -5.358 1.605 -6.923 1.00 0.00 O ATOM 1954 CB GLU B 55 -6.251 -0.825 -5.649 1.00 0.00 C ATOM 1955 CG GLU B 55 -6.522 -1.919 -4.613 1.00 0.00 C ATOM 1956 CD GLU B 55 -8.029 -2.149 -4.495 1.00 0.00 C ATOM 1957 OE1 GLU B 55 -8.570 -2.846 -5.336 1.00 0.00 O ATOM 1958 OE2 GLU B 55 -8.617 -1.622 -3.563 1.00 0.00 O ATOM 0 H GLU B 55 -7.471 0.852 -3.259 1.00 0.00 H new ATOM 0 HA GLU B 55 -5.362 0.603 -4.284 1.00 0.00 H new ATOM 0 HB2 GLU B 55 -7.025 -0.836 -6.416 1.00 0.00 H new ATOM 0 HB3 GLU B 55 -5.302 -1.012 -6.151 1.00 0.00 H new ATOM 0 HG2 GLU B 55 -6.024 -2.843 -4.906 1.00 0.00 H new ATOM 0 HG3 GLU B 55 -6.111 -1.629 -3.646 1.00 0.00 H new ATOM 1965 N ALA B 56 -6.891 2.701 -5.782 1.00 0.00 N ATOM 1966 CA ALA B 56 -6.872 3.843 -6.732 1.00 0.00 C ATOM 1967 C ALA B 56 -6.808 3.314 -8.164 1.00 0.00 C ATOM 1968 O ALA B 56 -5.790 3.413 -8.817 1.00 0.00 O ATOM 1969 CB ALA B 56 -5.615 4.643 -6.378 1.00 0.00 C ATOM 0 H ALA B 56 -7.540 2.800 -5.002 1.00 0.00 H new ATOM 0 HA ALA B 56 -7.764 4.465 -6.662 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -5.534 5.505 -7.040 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -5.680 4.984 -5.345 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -4.736 4.010 -6.497 1.00 0.00 H new ATOM 1975 N PRO B 57 -7.909 2.766 -8.603 1.00 0.00 N ATOM 1976 CA PRO B 57 -7.987 2.213 -9.973 1.00 0.00 C ATOM 1977 C PRO B 57 -8.068 3.363 -10.970 1.00 0.00 C ATOM 1978 O PRO B 57 -7.194 3.548 -11.794 1.00 0.00 O ATOM 1979 CB PRO B 57 -9.275 1.396 -9.963 1.00 0.00 C ATOM 1980 CG PRO B 57 -10.113 2.001 -8.882 1.00 0.00 C ATOM 1981 CD PRO B 57 -9.174 2.621 -7.875 1.00 0.00 C ATOM 0 HA PRO B 57 -7.125 1.609 -10.257 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -9.780 1.445 -10.928 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -9.073 0.344 -9.763 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -10.785 2.754 -9.294 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -10.736 1.242 -8.409 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -9.545 3.585 -7.525 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.057 1.987 -6.996 1.00 0.00 H new ATOM 1989 N LEU B 58 -9.095 4.159 -10.881 1.00 0.00 N ATOM 1990 CA LEU B 58 -9.204 5.317 -11.801 1.00 0.00 C ATOM 1991 C LEU B 58 -8.025 6.251 -11.538 1.00 0.00 C ATOM 1992 O LEU B 58 -7.454 6.825 -12.444 1.00 0.00 O ATOM 1993 CB LEU B 58 -10.527 5.995 -11.441 1.00 0.00 C ATOM 1994 CG LEU B 58 -11.041 6.787 -12.644 1.00 0.00 C ATOM 1995 CD1 LEU B 58 -11.961 5.900 -13.484 1.00 0.00 C ATOM 1996 CD2 LEU B 58 -11.821 8.009 -12.153 1.00 0.00 C ATOM 0 H LEU B 58 -9.859 4.057 -10.213 1.00 0.00 H new ATOM 0 HA LEU B 58 -9.184 5.036 -12.854 1.00 0.00 H new ATOM 0 HB2 LEU B 58 -11.262 5.247 -11.144 1.00 0.00 H new ATOM 0 HB3 LEU B 58 -10.387 6.659 -10.588 1.00 0.00 H new ATOM 0 HG LEU B 58 -10.197 7.113 -13.252 1.00 0.00 H new ATOM 0 HD11 LEU B 58 -12.327 6.465 -14.341 1.00 0.00 H new ATOM 0 HD12 LEU B 58 -11.407 5.029 -13.833 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -12.805 5.574 -12.877 1.00 0.00 H new ATOM 0 HD21 LEU B 58 -12.188 8.575 -13.009 1.00 0.00 H new ATOM 0 HD22 LEU B 58 -12.665 7.682 -11.545 1.00 0.00 H new ATOM 0 HD23 LEU B 58 -11.166 8.642 -11.554 1.00 0.00 H new ATOM 2008 N VAL B 59 -7.648 6.392 -10.293 1.00 0.00 N ATOM 2009 CA VAL B 59 -6.494 7.273 -9.959 1.00 0.00 C ATOM 2010 C VAL B 59 -5.192 6.467 -9.968 1.00 0.00 C ATOM 2011 O VAL B 59 -4.136 6.975 -9.649 1.00 0.00 O ATOM 2012 CB VAL B 59 -6.784 7.791 -8.554 1.00 0.00 C ATOM 2013 CG1 VAL B 59 -5.607 8.644 -8.081 1.00 0.00 C ATOM 2014 CG2 VAL B 59 -8.056 8.641 -8.578 1.00 0.00 C ATOM 0 H VAL B 59 -8.090 5.935 -9.496 1.00 0.00 H new ATOM 0 HA VAL B 59 -6.375 8.083 -10.678 1.00 0.00 H new ATOM 0 HB VAL B 59 -6.924 6.951 -7.873 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -5.808 9.017 -7.077 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -4.701 8.038 -8.068 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -5.471 9.485 -8.760 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -8.265 9.012 -7.575 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -7.918 9.484 -9.255 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -8.893 8.033 -8.922 1.00 0.00 H new ATOM 2024 N GLN B 60 -5.259 5.215 -10.322 1.00 0.00 N ATOM 2025 CA GLN B 60 -4.021 4.384 -10.335 1.00 0.00 C ATOM 2026 C GLN B 60 -2.908 5.111 -11.088 1.00 0.00 C ATOM 2027 O GLN B 60 -1.778 5.165 -10.644 1.00 0.00 O ATOM 2028 CB GLN B 60 -4.404 3.087 -11.045 1.00 0.00 C ATOM 2029 CG GLN B 60 -3.516 1.946 -10.536 1.00 0.00 C ATOM 2030 CD GLN B 60 -3.750 1.733 -9.035 1.00 0.00 C ATOM 2031 OE1 GLN B 60 -3.685 2.663 -8.257 1.00 0.00 O ATOM 2032 NE2 GLN B 60 -4.012 0.535 -8.591 1.00 0.00 N ATOM 0 H GLN B 60 -6.112 4.732 -10.602 1.00 0.00 H new ATOM 0 HA GLN B 60 -3.648 4.189 -9.330 1.00 0.00 H new ATOM 0 HB2 GLN B 60 -5.453 2.855 -10.862 1.00 0.00 H new ATOM 0 HB3 GLN B 60 -4.286 3.201 -12.123 1.00 0.00 H new ATOM 0 HG2 GLN B 60 -3.739 1.029 -11.081 1.00 0.00 H new ATOM 0 HG3 GLN B 60 -2.467 2.180 -10.720 1.00 0.00 H new ATOM 0 HE21 GLN B 60 -4.068 -0.249 -9.241 1.00 0.00 H new ATOM 0 HE22 GLN B 60 -4.161 0.382 -7.594 1.00 0.00 H new ATOM 2041 N LYS B 61 -3.217 5.681 -12.215 1.00 0.00 N ATOM 2042 CA LYS B 61 -2.170 6.414 -12.980 1.00 0.00 C ATOM 2043 C LYS B 61 -1.432 7.361 -12.038 1.00 0.00 C ATOM 2044 O LYS B 61 -0.226 7.309 -11.900 1.00 0.00 O ATOM 2045 CB LYS B 61 -2.927 7.196 -14.054 1.00 0.00 C ATOM 2046 CG LYS B 61 -3.113 6.316 -15.293 1.00 0.00 C ATOM 2047 CD LYS B 61 -2.126 6.749 -16.380 1.00 0.00 C ATOM 2048 CE LYS B 61 -1.852 5.573 -17.319 1.00 0.00 C ATOM 2049 NZ LYS B 61 -0.876 4.716 -16.588 1.00 0.00 N ATOM 0 H LYS B 61 -4.144 5.673 -12.640 1.00 0.00 H new ATOM 0 HA LYS B 61 -1.429 5.750 -13.425 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -3.897 7.513 -13.672 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -2.377 8.100 -14.316 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -2.951 5.269 -15.036 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -4.136 6.399 -15.661 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -2.533 7.589 -16.942 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -1.196 7.090 -15.926 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -2.767 5.026 -17.544 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -1.443 5.914 -18.270 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 0.027 4.701 -17.104 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 -0.723 5.100 -15.634 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -1.250 3.748 -16.516 1.00 0.00 H new ATOM 2063 N ILE B 62 -2.156 8.213 -11.372 1.00 0.00 N ATOM 2064 CA ILE B 62 -1.512 9.155 -10.414 1.00 0.00 C ATOM 2065 C ILE B 62 -0.869 8.355 -9.280 1.00 0.00 C ATOM 2066 O ILE B 62 0.029 8.819 -8.608 1.00 0.00 O ATOM 2067 CB ILE B 62 -2.656 10.031 -9.902 1.00 0.00 C ATOM 2068 CG1 ILE B 62 -3.075 11.010 -11.000 1.00 0.00 C ATOM 2069 CG2 ILE B 62 -2.193 10.817 -8.676 1.00 0.00 C ATOM 2070 CD1 ILE B 62 -1.955 12.028 -11.230 1.00 0.00 C ATOM 0 H ILE B 62 -3.169 8.299 -11.449 1.00 0.00 H new ATOM 0 HA ILE B 62 -0.724 9.759 -10.863 1.00 0.00 H new ATOM 0 HB ILE B 62 -3.501 9.399 -9.630 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -3.285 10.470 -11.923 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -3.994 11.522 -10.714 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -3.010 11.440 -8.313 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -1.890 10.123 -7.892 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -1.347 11.449 -8.947 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -2.253 12.726 -12.012 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -1.766 12.576 -10.307 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -1.047 11.507 -11.535 1.00 0.00 H new ATOM 2082 N ILE B 63 -1.305 7.138 -9.086 1.00 0.00 N ATOM 2083 CA ILE B 63 -0.704 6.290 -8.025 1.00 0.00 C ATOM 2084 C ILE B 63 0.646 5.795 -8.520 1.00 0.00 C ATOM 2085 O ILE B 63 1.659 5.958 -7.872 1.00 0.00 O ATOM 2086 CB ILE B 63 -1.698 5.138 -7.843 1.00 0.00 C ATOM 2087 CG1 ILE B 63 -2.435 5.323 -6.518 1.00 0.00 C ATOM 2088 CG2 ILE B 63 -0.969 3.794 -7.845 1.00 0.00 C ATOM 2089 CD1 ILE B 63 -2.955 6.756 -6.445 1.00 0.00 C ATOM 0 H ILE B 63 -2.054 6.697 -9.620 1.00 0.00 H new ATOM 0 HA ILE B 63 -0.534 6.809 -7.081 1.00 0.00 H new ATOM 0 HB ILE B 63 -2.409 5.145 -8.669 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -3.262 4.617 -6.443 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -1.766 5.120 -5.682 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -1.691 2.988 -7.715 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -0.448 3.664 -8.793 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -0.248 3.770 -7.028 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -3.484 6.904 -5.504 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -2.117 7.451 -6.503 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.636 6.939 -7.276 1.00 0.00 H new ATOM 2101 N GLN B 64 0.670 5.228 -9.688 1.00 0.00 N ATOM 2102 CA GLN B 64 1.967 4.768 -10.243 1.00 0.00 C ATOM 2103 C GLN B 64 2.935 5.945 -10.166 1.00 0.00 C ATOM 2104 O GLN B 64 4.135 5.781 -10.078 1.00 0.00 O ATOM 2105 CB GLN B 64 1.663 4.373 -11.693 1.00 0.00 C ATOM 2106 CG GLN B 64 2.692 5.003 -12.633 1.00 0.00 C ATOM 2107 CD GLN B 64 4.083 4.435 -12.336 1.00 0.00 C ATOM 2108 OE1 GLN B 64 5.079 4.985 -12.764 1.00 0.00 O ATOM 2109 NE2 GLN B 64 4.198 3.350 -11.617 1.00 0.00 N ATOM 0 H GLN B 64 -0.145 5.064 -10.279 1.00 0.00 H new ATOM 0 HA GLN B 64 2.414 3.928 -9.711 1.00 0.00 H new ATOM 0 HB2 GLN B 64 1.682 3.288 -11.795 1.00 0.00 H new ATOM 0 HB3 GLN B 64 0.660 4.701 -11.966 1.00 0.00 H new ATOM 0 HG2 GLN B 64 2.421 4.803 -13.670 1.00 0.00 H new ATOM 0 HG3 GLN B 64 2.697 6.086 -12.508 1.00 0.00 H new ATOM 0 HE21 GLN B 64 3.364 2.886 -11.256 1.00 0.00 H new ATOM 0 HE22 GLN B 64 5.122 2.967 -11.416 1.00 0.00 H new ATOM 2118 N LYS B 65 2.400 7.137 -10.167 1.00 0.00 N ATOM 2119 CA LYS B 65 3.258 8.345 -10.059 1.00 0.00 C ATOM 2120 C LYS B 65 3.764 8.457 -8.623 1.00 0.00 C ATOM 2121 O LYS B 65 4.888 8.845 -8.371 1.00 0.00 O ATOM 2122 CB LYS B 65 2.342 9.521 -10.403 1.00 0.00 C ATOM 2123 CG LYS B 65 3.149 10.608 -11.115 1.00 0.00 C ATOM 2124 CD LYS B 65 2.271 11.844 -11.319 1.00 0.00 C ATOM 2125 CE LYS B 65 2.407 12.775 -10.111 1.00 0.00 C ATOM 2126 NZ LYS B 65 3.603 13.611 -10.404 1.00 0.00 N ATOM 0 H LYS B 65 1.400 7.323 -10.239 1.00 0.00 H new ATOM 0 HA LYS B 65 4.125 8.315 -10.719 1.00 0.00 H new ATOM 0 HB2 LYS B 65 1.525 9.184 -11.041 1.00 0.00 H new ATOM 0 HB3 LYS B 65 1.893 9.923 -9.495 1.00 0.00 H new ATOM 0 HG2 LYS B 65 4.029 10.867 -10.526 1.00 0.00 H new ATOM 0 HG3 LYS B 65 3.506 10.240 -12.077 1.00 0.00 H new ATOM 0 HD2 LYS B 65 2.567 12.366 -12.229 1.00 0.00 H new ATOM 0 HD3 LYS B 65 1.230 11.546 -11.446 1.00 0.00 H new ATOM 0 HE2 LYS B 65 1.516 13.390 -9.984 1.00 0.00 H new ATOM 0 HE3 LYS B 65 2.537 12.209 -9.189 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 3.762 14.276 -9.620 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 4.436 12.999 -10.513 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 3.447 14.143 -11.284 1.00 0.00 H new ATOM 2140 N ILE B 66 2.938 8.094 -7.679 1.00 0.00 N ATOM 2141 CA ILE B 66 3.359 8.150 -6.252 1.00 0.00 C ATOM 2142 C ILE B 66 4.295 6.975 -5.962 1.00 0.00 C ATOM 2143 O ILE B 66 5.221 7.075 -5.182 1.00 0.00 O ATOM 2144 CB ILE B 66 2.059 8.044 -5.445 1.00 0.00 C ATOM 2145 CG1 ILE B 66 2.163 8.929 -4.200 1.00 0.00 C ATOM 2146 CG2 ILE B 66 1.817 6.594 -5.020 1.00 0.00 C ATOM 2147 CD1 ILE B 66 3.211 8.351 -3.246 1.00 0.00 C ATOM 0 H ILE B 66 1.987 7.760 -7.837 1.00 0.00 H new ATOM 0 HA ILE B 66 3.900 9.062 -5.999 1.00 0.00 H new ATOM 0 HB ILE B 66 1.226 8.374 -6.066 1.00 0.00 H new ATOM 0 HG12 ILE B 66 2.437 9.945 -4.485 1.00 0.00 H new ATOM 0 HG13 ILE B 66 1.196 8.988 -3.701 1.00 0.00 H new ATOM 0 HG21 ILE B 66 0.891 6.532 -4.448 1.00 0.00 H new ATOM 0 HG22 ILE B 66 1.739 5.963 -5.906 1.00 0.00 H new ATOM 0 HG23 ILE B 66 2.648 6.252 -4.403 1.00 0.00 H new ATOM 0 HD11 ILE B 66 3.284 8.982 -2.360 1.00 0.00 H new ATOM 0 HD12 ILE B 66 2.918 7.344 -2.951 1.00 0.00 H new ATOM 0 HD13 ILE B 66 4.179 8.315 -3.747 1.00 0.00 H new ATOM 2159 N LEU B 67 4.062 5.866 -6.609 1.00 0.00 N ATOM 2160 CA LEU B 67 4.929 4.672 -6.407 1.00 0.00 C ATOM 2161 C LEU B 67 6.258 4.873 -7.137 1.00 0.00 C ATOM 2162 O LEU B 67 7.305 4.466 -6.673 1.00 0.00 O ATOM 2163 CB LEU B 67 4.146 3.511 -7.025 1.00 0.00 C ATOM 2164 CG LEU B 67 3.259 2.865 -5.961 1.00 0.00 C ATOM 2165 CD1 LEU B 67 1.956 3.653 -5.836 1.00 0.00 C ATOM 2166 CD2 LEU B 67 2.942 1.425 -6.370 1.00 0.00 C ATOM 0 H LEU B 67 3.301 5.736 -7.275 1.00 0.00 H new ATOM 0 HA LEU B 67 5.161 4.492 -5.357 1.00 0.00 H new ATOM 0 HB2 LEU B 67 3.535 3.871 -7.852 1.00 0.00 H new ATOM 0 HB3 LEU B 67 4.835 2.773 -7.436 1.00 0.00 H new ATOM 0 HG LEU B 67 3.780 2.868 -5.004 1.00 0.00 H new ATOM 0 HD11 LEU B 67 1.324 3.192 -5.077 1.00 0.00 H new ATOM 0 HD12 LEU B 67 2.178 4.680 -5.548 1.00 0.00 H new ATOM 0 HD13 LEU B 67 1.435 3.649 -6.794 1.00 0.00 H new ATOM 0 HD21 LEU B 67 2.309 0.962 -5.612 1.00 0.00 H new ATOM 0 HD22 LEU B 67 2.421 1.425 -7.327 1.00 0.00 H new ATOM 0 HD23 LEU B 67 3.870 0.860 -6.462 1.00 0.00 H new ATOM 2178 N ASN B 68 6.219 5.501 -8.279 1.00 0.00 N ATOM 2179 CA ASN B 68 7.471 5.737 -9.049 1.00 0.00 C ATOM 2180 C ASN B 68 8.151 7.023 -8.573 1.00 0.00 C ATOM 2181 O ASN B 68 9.225 7.372 -9.022 1.00 0.00 O ATOM 2182 CB ASN B 68 7.024 5.876 -10.504 1.00 0.00 C ATOM 2183 CG ASN B 68 8.058 5.218 -11.421 1.00 0.00 C ATOM 2184 OD1 ASN B 68 9.030 5.839 -11.804 1.00 0.00 O ATOM 2185 ND2 ASN B 68 7.887 3.978 -11.792 1.00 0.00 N ATOM 0 H ASN B 68 5.370 5.862 -8.714 1.00 0.00 H new ATOM 0 HA ASN B 68 8.191 4.929 -8.920 1.00 0.00 H new ATOM 0 HB2 ASN B 68 6.049 5.408 -10.642 1.00 0.00 H new ATOM 0 HB3 ASN B 68 6.911 6.929 -10.762 1.00 0.00 H new ATOM 0 HD21 ASN B 68 8.569 3.530 -12.404 1.00 0.00 H new ATOM 0 HD22 ASN B 68 7.071 3.457 -11.470 1.00 0.00 H new ATOM 2192 N LYS B 69 7.532 7.734 -7.668 1.00 0.00 N ATOM 2193 CA LYS B 69 8.145 8.996 -7.167 1.00 0.00 C ATOM 2194 C LYS B 69 9.154 8.693 -6.066 1.00 0.00 C ATOM 2195 O LYS B 69 9.629 9.571 -5.374 1.00 0.00 O ATOM 2196 CB LYS B 69 6.981 9.830 -6.630 1.00 0.00 C ATOM 2197 CG LYS B 69 6.528 10.825 -7.701 1.00 0.00 C ATOM 2198 CD LYS B 69 6.960 12.238 -7.303 1.00 0.00 C ATOM 2199 CE LYS B 69 8.461 12.248 -7.003 1.00 0.00 C ATOM 2200 NZ LYS B 69 9.017 13.329 -7.864 1.00 0.00 N ATOM 0 H LYS B 69 6.630 7.495 -7.256 1.00 0.00 H new ATOM 0 HA LYS B 69 8.687 9.527 -7.950 1.00 0.00 H new ATOM 0 HB2 LYS B 69 6.153 9.179 -6.350 1.00 0.00 H new ATOM 0 HB3 LYS B 69 7.287 10.363 -5.730 1.00 0.00 H new ATOM 0 HG2 LYS B 69 6.961 10.559 -8.665 1.00 0.00 H new ATOM 0 HG3 LYS B 69 5.445 10.784 -7.816 1.00 0.00 H new ATOM 0 HD2 LYS B 69 6.734 12.939 -8.107 1.00 0.00 H new ATOM 0 HD3 LYS B 69 6.401 12.567 -6.427 1.00 0.00 H new ATOM 0 HE2 LYS B 69 8.652 12.446 -5.948 1.00 0.00 H new ATOM 0 HE3 LYS B 69 8.917 11.285 -7.234 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 10.044 13.398 -7.715 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 8.826 13.110 -8.863 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 8.570 14.235 -7.616 1.00 0.00 H new