USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 949 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -9.6! C(o=-9.6!,f=-9.7!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0813 K(o=-0.081,f=-1.9!) USER MOD Single : A 27 THR OG1 : rot 86:sc= 0.858 USER MOD Single : A 29 GLN : amide:sc= -0.474 X(o=-0.47,f=-0.64) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0295 K(o=-0.029,f=-0.59) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 SER OG : rot 180:sc= 0 USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 GLN : amide:sc= -8.47! C(o=-8.5!,f=-8.5!) USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 ASN : amide:sc= -0.119 K(o=-0.12,f=-2.4!) USER MOD Single : B 27 THR OG1 : rot 86:sc= 0.789 USER MOD Single : B 29 GLN : amide:sc= -0.709 X(o=-0.71,f=-0.91) USER MOD Single : B 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 ASN : amide:sc= -0.0501 K(o=-0.05,f=-1.2) USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 CYS SG : rot 180:sc= 0 USER MOD Single : C 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 13 SER OG : rot 180:sc= 0 USER MOD Single : C 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 GLN :FLIP amide:sc= -8.7! C(o=-9.5!,f=-8.7!) USER MOD Single : C 19 THR OG1 : rot 180:sc= 0 USER MOD Single : C 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 ASN : amide:sc= -0.186 K(o=-0.19,f=-2.7!) USER MOD Single : C 27 THR OG1 : rot 86:sc= 0.881 USER MOD Single : C 29 GLN : amide:sc= -0.834 X(o=-0.83,f=-1.2) USER MOD Single : C 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 31 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.000109) USER MOD Single : C 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 121 N GLU A 10 19.385 3.695 -12.082 1.00 0.00 N ATOM 122 CA GLU A 10 18.149 3.055 -12.616 1.00 0.00 C ATOM 123 C GLU A 10 17.162 4.126 -13.096 1.00 0.00 C ATOM 124 O GLU A 10 16.036 4.191 -12.645 1.00 0.00 O ATOM 125 CB GLU A 10 17.573 2.283 -11.430 1.00 0.00 C ATOM 126 CG GLU A 10 18.296 0.943 -11.293 1.00 0.00 C ATOM 127 CD GLU A 10 19.078 0.914 -9.978 1.00 0.00 C ATOM 128 OE1 GLU A 10 20.068 1.622 -9.884 1.00 0.00 O ATOM 129 OE2 GLU A 10 18.672 0.186 -9.088 1.00 0.00 O ATOM 0 HA GLU A 10 18.348 2.408 -13.470 1.00 0.00 H new ATOM 0 HB2 GLU A 10 17.686 2.864 -10.515 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.505 2.119 -11.574 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.576 0.125 -11.318 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.974 0.796 -12.134 1.00 0.00 H new ATOM 136 N CYS A 11 17.583 4.972 -13.999 1.00 0.00 N ATOM 137 CA CYS A 11 16.676 6.046 -14.499 1.00 0.00 C ATOM 138 C CYS A 11 15.253 5.522 -14.697 1.00 0.00 C ATOM 139 O CYS A 11 14.289 6.203 -14.414 1.00 0.00 O ATOM 140 CB CYS A 11 17.266 6.481 -15.844 1.00 0.00 C ATOM 141 SG CYS A 11 18.429 7.849 -15.606 1.00 0.00 S ATOM 0 H CYS A 11 18.516 4.965 -14.412 1.00 0.00 H new ATOM 0 HA CYS A 11 16.610 6.869 -13.788 1.00 0.00 H new ATOM 0 HB2 CYS A 11 17.775 5.640 -16.315 1.00 0.00 H new ATOM 0 HB3 CYS A 11 16.466 6.788 -16.518 1.00 0.00 H new ATOM 0 HG CYS A 11 18.922 8.204 -16.755 1.00 0.00 H new ATOM 146 N LYS A 12 15.112 4.330 -15.193 1.00 0.00 N ATOM 147 CA LYS A 12 13.744 3.783 -15.423 1.00 0.00 C ATOM 148 C LYS A 12 13.560 2.465 -14.670 1.00 0.00 C ATOM 149 O LYS A 12 12.493 1.889 -14.668 1.00 0.00 O ATOM 150 CB LYS A 12 13.661 3.552 -16.935 1.00 0.00 C ATOM 151 CG LYS A 12 14.283 4.741 -17.670 1.00 0.00 C ATOM 152 CD LYS A 12 13.574 6.028 -17.246 1.00 0.00 C ATOM 153 CE LYS A 12 13.012 6.734 -18.482 1.00 0.00 C ATOM 154 NZ LYS A 12 11.721 7.334 -18.038 1.00 0.00 N ATOM 0 H LYS A 12 15.879 3.709 -15.450 1.00 0.00 H new ATOM 0 HA LYS A 12 12.967 4.459 -15.067 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.183 2.633 -17.202 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.621 3.428 -17.238 1.00 0.00 H new ATOM 0 HG2 LYS A 12 15.347 4.807 -17.442 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.195 4.603 -18.748 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.769 5.799 -16.548 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.271 6.684 -16.725 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.698 7.500 -18.844 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.858 6.031 -19.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.279 7.835 -18.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.085 6.582 -17.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.898 8.005 -17.263 1.00 0.00 H new ATOM 168 N SER A 13 14.589 1.985 -14.029 1.00 0.00 N ATOM 169 CA SER A 13 14.470 0.698 -13.276 1.00 0.00 C ATOM 170 C SER A 13 13.815 0.930 -11.909 1.00 0.00 C ATOM 171 O SER A 13 13.060 0.111 -11.420 1.00 0.00 O ATOM 172 CB SER A 13 15.910 0.209 -13.122 1.00 0.00 C ATOM 173 OG SER A 13 16.238 -0.635 -14.216 1.00 0.00 O ATOM 0 H SER A 13 15.508 2.426 -13.992 1.00 0.00 H new ATOM 0 HA SER A 13 13.844 -0.031 -13.791 1.00 0.00 H new ATOM 0 HB2 SER A 13 16.593 1.058 -13.085 1.00 0.00 H new ATOM 0 HB3 SER A 13 16.024 -0.333 -12.183 1.00 0.00 H new ATOM 0 HG SER A 13 17.161 -0.949 -14.121 1.00 0.00 H new ATOM 179 N ILE A 14 14.092 2.046 -11.302 1.00 0.00 N ATOM 180 CA ILE A 14 13.491 2.363 -9.974 1.00 0.00 C ATOM 181 C ILE A 14 12.070 2.860 -10.175 1.00 0.00 C ATOM 182 O ILE A 14 11.168 2.549 -9.424 1.00 0.00 O ATOM 183 CB ILE A 14 14.349 3.491 -9.420 1.00 0.00 C ATOM 184 CG1 ILE A 14 15.684 2.933 -8.956 1.00 0.00 C ATOM 185 CG2 ILE A 14 13.639 4.158 -8.237 1.00 0.00 C ATOM 186 CD1 ILE A 14 16.683 4.082 -8.839 1.00 0.00 C ATOM 0 H ILE A 14 14.717 2.763 -11.671 1.00 0.00 H new ATOM 0 HA ILE A 14 13.460 1.499 -9.310 1.00 0.00 H new ATOM 0 HB ILE A 14 14.512 4.231 -10.204 1.00 0.00 H new ATOM 0 HG12 ILE A 14 15.570 2.432 -7.995 1.00 0.00 H new ATOM 0 HG13 ILE A 14 16.048 2.187 -9.663 1.00 0.00 H new ATOM 0 HG21 ILE A 14 14.261 4.964 -7.847 1.00 0.00 H new ATOM 0 HG22 ILE A 14 12.683 4.564 -8.568 1.00 0.00 H new ATOM 0 HG23 ILE A 14 13.467 3.421 -7.453 1.00 0.00 H new ATOM 0 HD11 ILE A 14 17.646 3.694 -8.506 1.00 0.00 H new ATOM 0 HD12 ILE A 14 16.801 4.562 -9.811 1.00 0.00 H new ATOM 0 HD13 ILE A 14 16.316 4.811 -8.116 1.00 0.00 H new ATOM 198 N VAL A 15 11.875 3.624 -11.205 1.00 0.00 N ATOM 199 CA VAL A 15 10.516 4.151 -11.497 1.00 0.00 C ATOM 200 C VAL A 15 9.720 3.038 -12.171 1.00 0.00 C ATOM 201 O VAL A 15 8.504 3.042 -12.188 1.00 0.00 O ATOM 202 CB VAL A 15 10.693 5.367 -12.430 1.00 0.00 C ATOM 203 CG1 VAL A 15 9.725 6.473 -11.999 1.00 0.00 C ATOM 204 CG2 VAL A 15 12.124 5.916 -12.340 1.00 0.00 C ATOM 0 H VAL A 15 12.601 3.909 -11.863 1.00 0.00 H new ATOM 0 HA VAL A 15 9.981 4.463 -10.600 1.00 0.00 H new ATOM 0 HB VAL A 15 10.492 5.051 -13.454 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.844 7.336 -12.654 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.701 6.106 -12.065 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.940 6.765 -10.971 1.00 0.00 H new ATOM 0 HG21 VAL A 15 12.227 6.773 -13.006 1.00 0.00 H new ATOM 0 HG22 VAL A 15 12.331 6.225 -11.316 1.00 0.00 H new ATOM 0 HG23 VAL A 15 12.831 5.140 -12.635 1.00 0.00 H new ATOM 214 N LYS A 16 10.412 2.054 -12.686 1.00 0.00 N ATOM 215 CA LYS A 16 9.711 0.903 -13.312 1.00 0.00 C ATOM 216 C LYS A 16 9.101 0.087 -12.182 1.00 0.00 C ATOM 217 O LYS A 16 7.965 -0.340 -12.243 1.00 0.00 O ATOM 218 CB LYS A 16 10.800 0.113 -14.047 1.00 0.00 C ATOM 219 CG LYS A 16 10.404 -1.363 -14.154 1.00 0.00 C ATOM 220 CD LYS A 16 8.950 -1.466 -14.616 1.00 0.00 C ATOM 221 CE LYS A 16 8.874 -2.337 -15.872 1.00 0.00 C ATOM 222 NZ LYS A 16 8.970 -1.381 -17.011 1.00 0.00 N ATOM 0 H LYS A 16 11.431 2.002 -12.698 1.00 0.00 H new ATOM 0 HA LYS A 16 8.919 1.184 -14.006 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.951 0.529 -15.043 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.747 0.205 -13.516 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.058 -1.876 -14.859 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.526 -1.855 -13.189 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.335 -1.896 -13.825 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.552 -0.473 -14.825 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.686 -3.064 -15.898 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.941 -2.899 -15.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.925 -1.905 -17.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.181 -0.705 -16.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.871 -0.865 -16.956 1.00 0.00 H new ATOM 236 N PHE A 17 9.849 -0.098 -11.129 1.00 0.00 N ATOM 237 CA PHE A 17 9.309 -0.847 -9.966 1.00 0.00 C ATOM 238 C PHE A 17 8.225 0.011 -9.303 1.00 0.00 C ATOM 239 O PHE A 17 7.267 -0.490 -8.749 1.00 0.00 O ATOM 240 CB PHE A 17 10.514 -1.054 -9.037 1.00 0.00 C ATOM 241 CG PHE A 17 10.059 -1.103 -7.597 1.00 0.00 C ATOM 242 CD1 PHE A 17 9.887 0.087 -6.882 1.00 0.00 C ATOM 243 CD2 PHE A 17 9.805 -2.334 -6.980 1.00 0.00 C ATOM 244 CE1 PHE A 17 9.462 0.049 -5.550 1.00 0.00 C ATOM 245 CE2 PHE A 17 9.379 -2.373 -5.648 1.00 0.00 C ATOM 246 CZ PHE A 17 9.207 -1.182 -4.933 1.00 0.00 C ATOM 0 H PHE A 17 10.807 0.237 -11.026 1.00 0.00 H new ATOM 0 HA PHE A 17 8.855 -1.803 -10.228 1.00 0.00 H new ATOM 0 HB2 PHE A 17 11.027 -1.980 -9.296 1.00 0.00 H new ATOM 0 HB3 PHE A 17 11.231 -0.244 -9.172 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.083 1.036 -7.359 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.938 -3.253 -7.532 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.331 0.968 -4.998 1.00 0.00 H new ATOM 0 HE2 PHE A 17 9.183 -3.322 -5.171 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.877 -1.212 -3.905 1.00 0.00 H new ATOM 256 N GLN A 18 8.375 1.308 -9.371 1.00 0.00 N ATOM 257 CA GLN A 18 7.358 2.214 -8.759 1.00 0.00 C ATOM 258 C GLN A 18 5.984 1.953 -9.377 1.00 0.00 C ATOM 259 O GLN A 18 4.985 1.886 -8.691 1.00 0.00 O ATOM 260 CB GLN A 18 7.835 3.629 -9.086 1.00 0.00 C ATOM 261 CG GLN A 18 8.851 4.080 -8.036 1.00 0.00 C ATOM 262 CD GLN A 18 8.926 5.608 -8.017 1.00 0.00 C ATOM 263 OE1 GLN A 18 9.355 6.193 -7.043 1.00 0.00 O ATOM 264 NE2 GLN A 18 8.527 6.285 -9.061 1.00 0.00 N ATOM 0 H GLN A 18 9.158 1.779 -9.824 1.00 0.00 H new ATOM 0 HA GLN A 18 7.259 2.059 -7.685 1.00 0.00 H new ATOM 0 HB2 GLN A 18 8.287 3.652 -10.078 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.988 4.314 -9.106 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.563 3.708 -7.053 1.00 0.00 H new ATOM 0 HG3 GLN A 18 9.832 3.661 -8.261 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.167 5.795 -9.880 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.576 7.304 -9.057 1.00 0.00 H new ATOM 273 N THR A 19 5.930 1.796 -10.669 1.00 0.00 N ATOM 274 CA THR A 19 4.620 1.528 -11.329 1.00 0.00 C ATOM 275 C THR A 19 3.998 0.271 -10.723 1.00 0.00 C ATOM 276 O THR A 19 2.798 0.179 -10.558 1.00 0.00 O ATOM 277 CB THR A 19 4.951 1.312 -12.806 1.00 0.00 C ATOM 278 OG1 THR A 19 5.197 2.569 -13.424 1.00 0.00 O ATOM 279 CG2 THR A 19 3.774 0.623 -13.498 1.00 0.00 C ATOM 0 H THR A 19 6.733 1.841 -11.296 1.00 0.00 H new ATOM 0 HA THR A 19 3.907 2.341 -11.198 1.00 0.00 H new ATOM 0 HB THR A 19 5.838 0.685 -12.892 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.411 2.432 -14.370 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.010 0.469 -14.551 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.586 -0.340 -13.024 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.885 1.248 -13.413 1.00 0.00 H new ATOM 287 N LYS A 20 4.807 -0.689 -10.366 1.00 0.00 N ATOM 288 CA LYS A 20 4.254 -1.924 -9.746 1.00 0.00 C ATOM 289 C LYS A 20 3.699 -1.555 -8.375 1.00 0.00 C ATOM 290 O LYS A 20 2.727 -2.112 -7.906 1.00 0.00 O ATOM 291 CB LYS A 20 5.437 -2.884 -9.623 1.00 0.00 C ATOM 292 CG LYS A 20 5.735 -3.504 -10.991 1.00 0.00 C ATOM 293 CD LYS A 20 6.649 -4.718 -10.814 1.00 0.00 C ATOM 294 CE LYS A 20 6.898 -5.373 -12.175 1.00 0.00 C ATOM 295 NZ LYS A 20 7.564 -6.667 -11.861 1.00 0.00 N ATOM 0 H LYS A 20 5.821 -0.671 -10.476 1.00 0.00 H new ATOM 0 HA LYS A 20 3.451 -2.380 -10.325 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.314 -2.352 -9.254 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.211 -3.666 -8.899 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.806 -3.803 -11.477 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.211 -2.769 -11.639 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.595 -4.412 -10.367 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.191 -5.435 -10.132 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.964 -5.530 -12.715 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.529 -4.747 -12.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.768 -7.176 -12.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.453 -6.486 -11.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.937 -7.245 -11.265 1.00 0.00 H new ATOM 309 N VAL A 21 4.306 -0.587 -7.750 1.00 0.00 N ATOM 310 CA VAL A 21 3.825 -0.123 -6.423 1.00 0.00 C ATOM 311 C VAL A 21 2.594 0.761 -6.633 1.00 0.00 C ATOM 312 O VAL A 21 1.826 1.005 -5.727 1.00 0.00 O ATOM 313 CB VAL A 21 5.001 0.679 -5.856 1.00 0.00 C ATOM 314 CG1 VAL A 21 4.498 1.687 -4.822 1.00 0.00 C ATOM 315 CG2 VAL A 21 5.989 -0.279 -5.190 1.00 0.00 C ATOM 0 H VAL A 21 5.124 -0.093 -8.107 1.00 0.00 H new ATOM 0 HA VAL A 21 3.532 -0.928 -5.749 1.00 0.00 H new ATOM 0 HB VAL A 21 5.493 1.216 -6.667 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.341 2.252 -4.425 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.793 2.371 -5.294 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.001 1.157 -4.009 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.828 0.287 -4.785 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.489 -0.814 -4.383 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.356 -0.994 -5.927 1.00 0.00 H new ATOM 325 N GLU A 22 2.404 1.236 -7.834 1.00 0.00 N ATOM 326 CA GLU A 22 1.225 2.100 -8.126 1.00 0.00 C ATOM 327 C GLU A 22 -0.036 1.241 -8.263 1.00 0.00 C ATOM 328 O GLU A 22 -1.080 1.562 -7.729 1.00 0.00 O ATOM 329 CB GLU A 22 1.563 2.785 -9.453 1.00 0.00 C ATOM 330 CG GLU A 22 2.277 4.112 -9.179 1.00 0.00 C ATOM 331 CD GLU A 22 1.636 5.224 -10.014 1.00 0.00 C ATOM 332 OE1 GLU A 22 0.417 5.288 -10.044 1.00 0.00 O ATOM 333 OE2 GLU A 22 2.374 5.991 -10.609 1.00 0.00 O ATOM 0 H GLU A 22 3.018 1.062 -8.629 1.00 0.00 H new ATOM 0 HA GLU A 22 1.028 2.822 -7.334 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.198 2.137 -10.057 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.652 2.962 -10.025 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.214 4.358 -8.119 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.335 4.024 -9.424 1.00 0.00 H new ATOM 340 N GLU A 23 0.053 0.148 -8.968 1.00 0.00 N ATOM 341 CA GLU A 23 -1.140 -0.730 -9.132 1.00 0.00 C ATOM 342 C GLU A 23 -1.328 -1.591 -7.885 1.00 0.00 C ATOM 343 O GLU A 23 -2.436 -1.869 -7.472 1.00 0.00 O ATOM 344 CB GLU A 23 -0.829 -1.605 -10.347 1.00 0.00 C ATOM 345 CG GLU A 23 -0.294 -0.730 -11.482 1.00 0.00 C ATOM 346 CD GLU A 23 -1.128 -0.965 -12.742 1.00 0.00 C ATOM 347 OE1 GLU A 23 -2.267 -0.528 -12.765 1.00 0.00 O ATOM 348 OE2 GLU A 23 -0.612 -1.575 -13.664 1.00 0.00 O ATOM 0 H GLU A 23 0.899 -0.175 -9.437 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.059 -0.160 -9.270 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.094 -2.365 -10.082 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.728 -2.129 -10.671 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.336 0.321 -11.196 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.752 -0.966 -11.676 1.00 0.00 H new ATOM 355 N LEU A 24 -0.254 -2.009 -7.276 1.00 0.00 N ATOM 356 CA LEU A 24 -0.376 -2.843 -6.051 1.00 0.00 C ATOM 357 C LEU A 24 -0.988 -2.013 -4.922 1.00 0.00 C ATOM 358 O LEU A 24 -1.907 -2.440 -4.250 1.00 0.00 O ATOM 359 CB LEU A 24 1.056 -3.250 -5.706 1.00 0.00 C ATOM 360 CG LEU A 24 1.045 -4.585 -4.962 1.00 0.00 C ATOM 361 CD1 LEU A 24 0.130 -4.481 -3.742 1.00 0.00 C ATOM 362 CD2 LEU A 24 0.531 -5.684 -5.895 1.00 0.00 C ATOM 0 H LEU A 24 0.701 -1.809 -7.574 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.018 -3.712 -6.197 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.650 -3.334 -6.616 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.524 -2.483 -5.090 1.00 0.00 H new ATOM 0 HG LEU A 24 2.056 -4.829 -4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.122 -5.433 -3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.497 -3.698 -3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.882 -4.238 -4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.523 -6.637 -5.365 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.480 -5.441 -6.221 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.184 -5.758 -6.764 1.00 0.00 H new ATOM 374 N ILE A 25 -0.494 -0.822 -4.716 1.00 0.00 N ATOM 375 CA ILE A 25 -1.055 0.038 -3.638 1.00 0.00 C ATOM 376 C ILE A 25 -2.531 0.329 -3.930 1.00 0.00 C ATOM 377 O ILE A 25 -3.371 0.262 -3.055 1.00 0.00 O ATOM 378 CB ILE A 25 -0.211 1.319 -3.676 1.00 0.00 C ATOM 379 CG1 ILE A 25 -0.225 1.979 -2.296 1.00 0.00 C ATOM 380 CG2 ILE A 25 -0.762 2.294 -4.718 1.00 0.00 C ATOM 381 CD1 ILE A 25 1.212 2.133 -1.796 1.00 0.00 C ATOM 0 H ILE A 25 0.273 -0.409 -5.247 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.017 -0.430 -2.654 1.00 0.00 H new ATOM 0 HB ILE A 25 0.812 1.059 -3.949 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.710 2.954 -2.351 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.803 1.375 -1.597 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.151 3.197 -4.731 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.739 1.826 -5.702 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.789 2.555 -4.465 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.207 2.603 -0.813 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.680 1.151 -1.726 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.775 2.755 -2.492 1.00 0.00 H new ATOM 393 N ASN A 26 -2.853 0.636 -5.158 1.00 0.00 N ATOM 394 CA ASN A 26 -4.278 0.909 -5.499 1.00 0.00 C ATOM 395 C ASN A 26 -5.116 -0.324 -5.172 1.00 0.00 C ATOM 396 O ASN A 26 -6.224 -0.233 -4.677 1.00 0.00 O ATOM 397 CB ASN A 26 -4.281 1.176 -7.004 1.00 0.00 C ATOM 398 CG ASN A 26 -5.471 2.067 -7.367 1.00 0.00 C ATOM 399 OD1 ASN A 26 -6.348 2.289 -6.556 1.00 0.00 O ATOM 400 ND2 ASN A 26 -5.539 2.590 -8.560 1.00 0.00 N ATOM 0 H ASN A 26 -2.196 0.709 -5.935 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.694 1.748 -4.942 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.349 1.659 -7.299 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.339 0.234 -7.550 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.328 3.185 -8.812 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.803 2.404 -9.241 1.00 0.00 H new ATOM 407 N THR A 27 -4.578 -1.479 -5.439 1.00 0.00 N ATOM 408 CA THR A 27 -5.311 -2.740 -5.147 1.00 0.00 C ATOM 409 C THR A 27 -5.500 -2.890 -3.637 1.00 0.00 C ATOM 410 O THR A 27 -6.481 -3.435 -3.178 1.00 0.00 O ATOM 411 CB THR A 27 -4.402 -3.842 -5.689 1.00 0.00 C ATOM 412 OG1 THR A 27 -4.444 -3.831 -7.110 1.00 0.00 O ATOM 413 CG2 THR A 27 -4.871 -5.203 -5.171 1.00 0.00 C ATOM 0 H THR A 27 -3.653 -1.605 -5.851 1.00 0.00 H new ATOM 0 HA THR A 27 -6.304 -2.769 -5.596 1.00 0.00 H new ATOM 0 HB THR A 27 -3.380 -3.666 -5.353 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.792 -3.184 -7.452 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.219 -5.985 -5.561 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.835 -5.210 -4.082 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.894 -5.385 -5.501 1.00 0.00 H new ATOM 421 N LEU A 28 -4.570 -2.400 -2.862 1.00 0.00 N ATOM 422 CA LEU A 28 -4.707 -2.505 -1.381 1.00 0.00 C ATOM 423 C LEU A 28 -5.840 -1.593 -0.914 1.00 0.00 C ATOM 424 O LEU A 28 -6.676 -1.977 -0.121 1.00 0.00 O ATOM 425 CB LEU A 28 -3.365 -2.031 -0.818 1.00 0.00 C ATOM 426 CG LEU A 28 -2.330 -3.148 -0.949 1.00 0.00 C ATOM 427 CD1 LEU A 28 -0.965 -2.541 -1.279 1.00 0.00 C ATOM 428 CD2 LEU A 28 -2.238 -3.917 0.372 1.00 0.00 C ATOM 0 H LEU A 28 -3.724 -1.933 -3.189 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.942 -3.517 -1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.027 -1.144 -1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.478 -1.747 0.228 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.629 -3.828 -1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.226 -3.337 -1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.028 -1.992 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.667 -1.861 -0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.500 -4.714 0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.939 -3.236 1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.210 -4.349 0.610 1.00 0.00 H new ATOM 440 N GLN A 29 -5.883 -0.393 -1.421 1.00 0.00 N ATOM 441 CA GLN A 29 -6.970 0.541 -1.033 1.00 0.00 C ATOM 442 C GLN A 29 -8.292 0.022 -1.599 1.00 0.00 C ATOM 443 O GLN A 29 -9.364 0.407 -1.177 1.00 0.00 O ATOM 444 CB GLN A 29 -6.584 1.869 -1.681 1.00 0.00 C ATOM 445 CG GLN A 29 -7.157 3.030 -0.866 1.00 0.00 C ATOM 446 CD GLN A 29 -8.622 3.253 -1.249 1.00 0.00 C ATOM 447 OE1 GLN A 29 -9.505 3.107 -0.428 1.00 0.00 O ATOM 448 NE2 GLN A 29 -8.918 3.604 -2.471 1.00 0.00 N ATOM 0 H GLN A 29 -5.209 -0.020 -2.089 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.093 0.642 0.045 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.499 1.954 -1.739 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.962 1.909 -2.703 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.078 2.813 0.199 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.580 3.936 -1.051 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.176 3.727 -3.160 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.891 3.756 -2.737 1.00 0.00 H new ATOM 457 N GLN A 30 -8.210 -0.868 -2.551 1.00 0.00 N ATOM 458 CA GLN A 30 -9.442 -1.442 -3.156 1.00 0.00 C ATOM 459 C GLN A 30 -10.015 -2.506 -2.224 1.00 0.00 C ATOM 460 O GLN A 30 -11.169 -2.464 -1.846 1.00 0.00 O ATOM 461 CB GLN A 30 -8.972 -2.067 -4.468 1.00 0.00 C ATOM 462 CG GLN A 30 -8.758 -0.961 -5.498 1.00 0.00 C ATOM 463 CD GLN A 30 -9.791 -1.092 -6.618 1.00 0.00 C ATOM 464 OE1 GLN A 30 -9.447 -1.375 -7.747 1.00 0.00 O ATOM 465 NE2 GLN A 30 -11.054 -0.897 -6.351 1.00 0.00 N ATOM 0 H GLN A 30 -7.335 -1.223 -2.937 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.224 -0.701 -3.319 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.046 -2.619 -4.311 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.711 -2.781 -4.831 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.846 0.015 -5.021 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.751 -1.025 -5.910 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -11.344 -0.659 -5.402 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -11.751 -0.983 -7.091 1.00 0.00 H new ATOM 474 N LYS A 31 -9.206 -3.452 -1.835 1.00 0.00 N ATOM 475 CA LYS A 31 -9.693 -4.509 -0.909 1.00 0.00 C ATOM 476 C LYS A 31 -9.992 -3.877 0.450 1.00 0.00 C ATOM 477 O LYS A 31 -10.689 -4.435 1.273 1.00 0.00 O ATOM 478 CB LYS A 31 -8.545 -5.513 -0.807 1.00 0.00 C ATOM 479 CG LYS A 31 -8.813 -6.689 -1.750 1.00 0.00 C ATOM 480 CD LYS A 31 -7.543 -7.530 -1.895 1.00 0.00 C ATOM 481 CE LYS A 31 -7.692 -8.483 -3.084 1.00 0.00 C ATOM 482 NZ LYS A 31 -7.160 -7.726 -4.252 1.00 0.00 N ATOM 0 H LYS A 31 -8.230 -3.538 -2.119 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.607 -4.993 -1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.602 -5.032 -1.067 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.449 -5.869 0.219 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.625 -7.303 -1.361 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.131 -6.321 -2.725 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.680 -6.881 -2.042 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.364 -8.097 -0.982 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.133 -9.405 -2.923 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.734 -8.764 -3.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.228 -8.314 -5.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.715 -6.857 -4.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.165 -7.478 -4.081 1.00 0.00 H new ATOM 496 N LEU A 32 -9.476 -2.699 0.679 1.00 0.00 N ATOM 497 CA LEU A 32 -9.730 -2.002 1.967 1.00 0.00 C ATOM 498 C LEU A 32 -11.106 -1.333 1.915 1.00 0.00 C ATOM 499 O LEU A 32 -11.903 -1.455 2.824 1.00 0.00 O ATOM 500 CB LEU A 32 -8.621 -0.955 2.067 1.00 0.00 C ATOM 501 CG LEU A 32 -8.357 -0.618 3.535 1.00 0.00 C ATOM 502 CD1 LEU A 32 -8.085 -1.904 4.321 1.00 0.00 C ATOM 503 CD2 LEU A 32 -7.137 0.302 3.623 1.00 0.00 C ATOM 0 H LEU A 32 -8.886 -2.189 0.022 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.728 -2.673 2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.710 -1.331 1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.908 -0.055 1.524 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.229 -0.119 3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.897 -1.659 5.366 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.951 -2.562 4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.213 -2.407 3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.941 0.548 4.667 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.269 -0.204 3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.331 1.218 3.065 1.00 0.00 H new ATOM 515 N GLU A 33 -11.394 -0.641 0.845 1.00 0.00 N ATOM 516 CA GLU A 33 -12.724 0.019 0.719 1.00 0.00 C ATOM 517 C GLU A 33 -13.804 -1.050 0.558 1.00 0.00 C ATOM 518 O GLU A 33 -14.975 -0.808 0.773 1.00 0.00 O ATOM 519 CB GLU A 33 -12.616 0.883 -0.538 1.00 0.00 C ATOM 520 CG GLU A 33 -13.934 1.627 -0.765 1.00 0.00 C ATOM 521 CD GLU A 33 -13.713 3.127 -0.562 1.00 0.00 C ATOM 522 OE1 GLU A 33 -13.098 3.488 0.428 1.00 0.00 O ATOM 523 OE2 GLU A 33 -14.164 3.890 -1.401 1.00 0.00 O ATOM 0 H GLU A 33 -10.765 -0.505 0.053 1.00 0.00 H new ATOM 0 HA GLU A 33 -12.989 0.617 1.591 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.798 1.596 -0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.386 0.259 -1.402 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.303 1.436 -1.773 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.693 1.263 -0.073 1.00 0.00 H new ATOM 530 N ALA A 34 -13.409 -2.244 0.210 1.00 0.00 N ATOM 531 CA ALA A 34 -14.394 -3.348 0.065 1.00 0.00 C ATOM 532 C ALA A 34 -14.510 -4.045 1.414 1.00 0.00 C ATOM 533 O ALA A 34 -15.559 -4.523 1.802 1.00 0.00 O ATOM 534 CB ALA A 34 -13.801 -4.285 -0.989 1.00 0.00 C ATOM 0 H ALA A 34 -12.441 -2.502 0.019 1.00 0.00 H new ATOM 0 HA ALA A 34 -15.387 -3.014 -0.235 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.476 -5.126 -1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.669 -3.743 -1.925 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.835 -4.655 -0.645 1.00 0.00 H new ATOM 540 N VAL A 35 -13.429 -4.072 2.142 1.00 0.00 N ATOM 541 CA VAL A 35 -13.442 -4.694 3.489 1.00 0.00 C ATOM 542 C VAL A 35 -14.363 -3.871 4.387 1.00 0.00 C ATOM 543 O VAL A 35 -15.091 -4.397 5.201 1.00 0.00 O ATOM 544 CB VAL A 35 -11.982 -4.618 3.953 1.00 0.00 C ATOM 545 CG1 VAL A 35 -11.903 -4.352 5.458 1.00 0.00 C ATOM 546 CG2 VAL A 35 -11.283 -5.939 3.636 1.00 0.00 C ATOM 0 H VAL A 35 -12.530 -3.685 1.856 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.806 -5.721 3.507 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.492 -3.798 3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.858 -4.302 5.764 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.394 -3.406 5.687 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.401 -5.158 5.997 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.245 -5.889 3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.789 -6.752 4.156 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -11.316 -6.119 2.561 1.00 0.00 H new ATOM 556 N ALA A 36 -14.340 -2.575 4.224 1.00 0.00 N ATOM 557 CA ALA A 36 -15.223 -1.708 5.046 1.00 0.00 C ATOM 558 C ALA A 36 -16.673 -1.944 4.631 1.00 0.00 C ATOM 559 O ALA A 36 -17.589 -1.790 5.415 1.00 0.00 O ATOM 560 CB ALA A 36 -14.791 -0.280 4.717 1.00 0.00 C ATOM 0 H ALA A 36 -13.747 -2.082 3.556 1.00 0.00 H new ATOM 0 HA ALA A 36 -15.148 -1.910 6.115 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.398 0.424 5.286 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.741 -0.148 4.978 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -14.925 -0.096 3.651 1.00 0.00 H new ATOM 566 N LYS A 37 -16.885 -2.332 3.401 1.00 0.00 N ATOM 567 CA LYS A 37 -18.277 -2.596 2.936 1.00 0.00 C ATOM 568 C LYS A 37 -18.771 -3.911 3.530 1.00 0.00 C ATOM 569 O LYS A 37 -19.937 -4.070 3.832 1.00 0.00 O ATOM 570 CB LYS A 37 -18.186 -2.696 1.411 1.00 0.00 C ATOM 571 CG LYS A 37 -18.999 -1.570 0.768 1.00 0.00 C ATOM 572 CD LYS A 37 -18.298 -1.094 -0.506 1.00 0.00 C ATOM 573 CE LYS A 37 -19.306 -0.382 -1.413 1.00 0.00 C ATOM 574 NZ LYS A 37 -18.531 -0.007 -2.629 1.00 0.00 N ATOM 0 H LYS A 37 -16.157 -2.477 2.701 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.973 -1.815 3.243 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -17.145 -2.632 1.095 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.561 -3.664 1.078 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -20.004 -1.922 0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.107 -0.741 1.467 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -17.481 -0.418 -0.253 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.859 -1.943 -1.030 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -20.142 -1.035 -1.663 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -19.724 0.498 -0.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.154 0.486 -3.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -17.746 0.620 -2.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -18.151 -0.865 -3.077 1.00 0.00 H new ATOM 588 N ARG A 38 -17.886 -4.850 3.716 1.00 0.00 N ATOM 589 CA ARG A 38 -18.300 -6.147 4.310 1.00 0.00 C ATOM 590 C ARG A 38 -18.551 -5.945 5.801 1.00 0.00 C ATOM 591 O ARG A 38 -19.492 -6.470 6.362 1.00 0.00 O ATOM 592 CB ARG A 38 -17.118 -7.088 4.084 1.00 0.00 C ATOM 593 CG ARG A 38 -16.707 -7.061 2.610 1.00 0.00 C ATOM 594 CD ARG A 38 -17.081 -8.389 1.948 1.00 0.00 C ATOM 595 NE ARG A 38 -15.786 -9.096 1.740 1.00 0.00 N ATOM 596 CZ ARG A 38 -15.763 -10.394 1.604 1.00 0.00 C ATOM 597 NH1 ARG A 38 -16.422 -10.961 0.630 1.00 0.00 N ATOM 598 NH2 ARG A 38 -15.084 -11.126 2.442 1.00 0.00 N ATOM 0 H ARG A 38 -16.896 -4.774 3.482 1.00 0.00 H new ATOM 0 HA ARG A 38 -19.213 -6.547 3.868 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -16.278 -6.788 4.711 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -17.388 -8.103 4.377 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -17.203 -6.236 2.099 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -15.634 -6.890 2.524 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -17.751 -8.971 2.582 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -17.598 -8.226 1.002 1.00 0.00 H new ATOM 0 HE ARG A 38 -14.916 -8.565 1.704 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -16.955 -10.390 -0.025 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -16.404 -11.975 0.524 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.570 -10.685 3.205 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.066 -12.140 2.335 1.00 0.00 H new ATOM 612 N ILE A 39 -17.723 -5.163 6.438 1.00 0.00 N ATOM 613 CA ILE A 39 -17.911 -4.894 7.888 1.00 0.00 C ATOM 614 C ILE A 39 -19.304 -4.317 8.095 1.00 0.00 C ATOM 615 O ILE A 39 -20.031 -4.723 8.977 1.00 0.00 O ATOM 616 CB ILE A 39 -16.835 -3.867 8.246 1.00 0.00 C ATOM 617 CG1 ILE A 39 -15.482 -4.576 8.394 1.00 0.00 C ATOM 618 CG2 ILE A 39 -17.204 -3.163 9.555 1.00 0.00 C ATOM 619 CD1 ILE A 39 -15.374 -5.232 9.776 1.00 0.00 C ATOM 0 H ILE A 39 -16.921 -4.698 6.013 1.00 0.00 H new ATOM 0 HA ILE A 39 -17.823 -5.786 8.509 1.00 0.00 H new ATOM 0 HB ILE A 39 -16.766 -3.122 7.453 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -15.372 -5.331 7.616 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -14.672 -3.860 8.259 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.434 -2.433 9.805 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.161 -2.655 9.438 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -17.279 -3.899 10.355 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -14.409 -5.731 9.867 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.462 -4.469 10.549 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -16.174 -5.963 9.895 1.00 0.00 H new ATOM 631 N GLU A 40 -19.689 -3.390 7.263 1.00 0.00 N ATOM 632 CA GLU A 40 -21.049 -2.804 7.388 1.00 0.00 C ATOM 633 C GLU A 40 -22.073 -3.912 7.160 1.00 0.00 C ATOM 634 O GLU A 40 -23.124 -3.940 7.768 1.00 0.00 O ATOM 635 CB GLU A 40 -21.136 -1.746 6.289 1.00 0.00 C ATOM 636 CG GLU A 40 -19.958 -0.777 6.421 1.00 0.00 C ATOM 637 CD GLU A 40 -20.466 0.577 6.922 1.00 0.00 C ATOM 638 OE1 GLU A 40 -21.484 1.027 6.423 1.00 0.00 O ATOM 639 OE2 GLU A 40 -19.827 1.141 7.796 1.00 0.00 O ATOM 0 H GLU A 40 -19.121 -3.014 6.504 1.00 0.00 H new ATOM 0 HA GLU A 40 -21.241 -2.364 8.367 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -21.121 -2.222 5.309 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -22.078 -1.203 6.365 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -19.218 -1.179 7.113 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -19.462 -0.658 5.458 1.00 0.00 H new ATOM 646 N ALA A 41 -21.756 -4.842 6.300 1.00 0.00 N ATOM 647 CA ALA A 41 -22.697 -5.966 6.050 1.00 0.00 C ATOM 648 C ALA A 41 -22.957 -6.689 7.370 1.00 0.00 C ATOM 649 O ALA A 41 -24.045 -7.162 7.634 1.00 0.00 O ATOM 650 CB ALA A 41 -21.976 -6.884 5.062 1.00 0.00 C ATOM 0 H ALA A 41 -20.889 -4.870 5.763 1.00 0.00 H new ATOM 0 HA ALA A 41 -23.658 -5.639 5.653 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -22.611 -7.739 4.830 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -21.758 -6.334 4.146 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -21.044 -7.235 5.505 1.00 0.00 H new ATOM 656 N LEU A 42 -21.958 -6.755 8.207 1.00 0.00 N ATOM 657 CA LEU A 42 -22.126 -7.420 9.526 1.00 0.00 C ATOM 658 C LEU A 42 -22.736 -6.430 10.515 1.00 0.00 C ATOM 659 O LEU A 42 -23.391 -6.809 11.459 1.00 0.00 O ATOM 660 CB LEU A 42 -20.710 -7.814 9.965 1.00 0.00 C ATOM 661 CG LEU A 42 -20.142 -8.948 9.089 1.00 0.00 C ATOM 662 CD1 LEU A 42 -21.257 -9.690 8.341 1.00 0.00 C ATOM 663 CD2 LEU A 42 -19.168 -8.351 8.075 1.00 0.00 C ATOM 0 H LEU A 42 -21.028 -6.374 8.031 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.784 -8.288 9.478 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -20.055 -6.945 9.907 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -20.726 -8.132 11.008 1.00 0.00 H new ATOM 0 HG LEU A 42 -19.634 -9.662 9.737 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -20.822 -10.483 7.733 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -21.951 -10.124 9.060 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -21.791 -8.991 7.697 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -18.761 -9.146 7.450 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -19.692 -7.629 7.448 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -18.355 -7.851 8.602 1.00 0.00 H new ATOM 675 N GLU A 43 -22.536 -5.159 10.293 1.00 0.00 N ATOM 676 CA GLU A 43 -23.120 -4.142 11.210 1.00 0.00 C ATOM 677 C GLU A 43 -24.616 -4.042 10.948 1.00 0.00 C ATOM 678 O GLU A 43 -25.381 -3.589 11.775 1.00 0.00 O ATOM 679 CB GLU A 43 -22.419 -2.836 10.851 1.00 0.00 C ATOM 680 CG GLU A 43 -20.919 -2.993 11.082 1.00 0.00 C ATOM 681 CD GLU A 43 -20.395 -1.803 11.887 1.00 0.00 C ATOM 682 OE1 GLU A 43 -20.749 -0.685 11.552 1.00 0.00 O ATOM 683 OE2 GLU A 43 -19.646 -2.030 12.823 1.00 0.00 O ATOM 0 H GLU A 43 -21.993 -4.782 9.516 1.00 0.00 H new ATOM 0 HA GLU A 43 -22.985 -4.388 12.263 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -22.614 -2.579 9.810 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -22.810 -2.020 11.459 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -20.719 -3.922 11.616 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -20.399 -3.056 10.126 1.00 0.00 H new ATOM 690 N ASN A 44 -25.037 -4.486 9.799 1.00 0.00 N ATOM 691 CA ASN A 44 -26.483 -4.450 9.466 1.00 0.00 C ATOM 692 C ASN A 44 -27.186 -5.574 10.223 1.00 0.00 C ATOM 693 O ASN A 44 -28.388 -5.570 10.402 1.00 0.00 O ATOM 694 CB ASN A 44 -26.546 -4.689 7.956 1.00 0.00 C ATOM 695 CG ASN A 44 -26.394 -3.359 7.216 1.00 0.00 C ATOM 696 OD1 ASN A 44 -25.497 -2.589 7.501 1.00 0.00 O ATOM 697 ND2 ASN A 44 -27.235 -3.055 6.267 1.00 0.00 N ATOM 0 H ASN A 44 -24.436 -4.875 9.072 1.00 0.00 H new ATOM 0 HA ASN A 44 -26.967 -3.512 9.739 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -25.756 -5.377 7.654 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -27.494 -5.157 7.692 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -27.140 -2.172 5.765 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -27.988 -3.700 6.027 1.00 0.00 H new ATOM 704 N LYS A 45 -26.429 -6.539 10.678 1.00 0.00 N ATOM 705 CA LYS A 45 -27.027 -7.672 11.438 1.00 0.00 C ATOM 706 C LYS A 45 -26.501 -7.642 12.873 1.00 0.00 C ATOM 707 O LYS A 45 -26.995 -8.331 13.744 1.00 0.00 O ATOM 708 CB LYS A 45 -26.572 -8.962 10.730 1.00 0.00 C ATOM 709 CG LYS A 45 -26.243 -8.694 9.254 1.00 0.00 C ATOM 710 CD LYS A 45 -27.362 -7.874 8.613 1.00 0.00 C ATOM 711 CE LYS A 45 -28.004 -8.685 7.488 1.00 0.00 C ATOM 712 NZ LYS A 45 -28.553 -7.669 6.547 1.00 0.00 N ATOM 0 H LYS A 45 -25.418 -6.589 10.554 1.00 0.00 H new ATOM 0 HA LYS A 45 -28.115 -7.612 11.471 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -25.695 -9.367 11.234 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -27.356 -9.716 10.800 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -25.297 -8.159 9.175 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -26.121 -9.638 8.722 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -28.111 -7.613 9.361 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -26.963 -6.939 8.220 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -27.272 -9.325 6.995 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -28.791 -9.336 7.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -29.011 -8.149 5.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -29.252 -7.079 7.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -27.780 -7.069 6.195 1.00 0.00 H new ATOM 726 N ILE A 46 -25.504 -6.837 13.126 1.00 0.00 N ATOM 727 CA ILE A 46 -24.947 -6.747 14.503 1.00 0.00 C ATOM 728 C ILE A 46 -25.459 -5.469 15.170 1.00 0.00 C ATOM 729 O ILE A 46 -25.379 -5.308 16.372 1.00 0.00 O ATOM 730 CB ILE A 46 -23.423 -6.685 14.328 1.00 0.00 C ATOM 731 CG1 ILE A 46 -22.855 -8.067 13.956 1.00 0.00 C ATOM 732 CG2 ILE A 46 -22.784 -6.225 15.637 1.00 0.00 C ATOM 733 CD1 ILE A 46 -23.583 -9.165 14.731 1.00 0.00 C ATOM 0 H ILE A 46 -25.052 -6.237 12.436 1.00 0.00 H new ATOM 0 HA ILE A 46 -25.241 -7.591 15.127 1.00 0.00 H new ATOM 0 HB ILE A 46 -23.197 -5.984 13.525 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -22.963 -8.236 12.885 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -21.788 -8.101 14.178 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -21.702 -6.180 15.517 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -23.162 -5.237 15.899 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -23.032 -6.930 16.430 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -23.171 -10.137 14.458 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -23.452 -9.003 15.801 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -24.645 -9.139 14.487 1.00 0.00 H new ATOM 886 N GLU B 10 15.308 11.178 -13.027 1.00 0.00 N ATOM 887 CA GLU B 10 14.312 11.795 -12.102 1.00 0.00 C ATOM 888 C GLU B 10 14.899 11.853 -10.692 1.00 0.00 C ATOM 889 O GLU B 10 14.313 11.384 -9.739 1.00 0.00 O ATOM 890 CB GLU B 10 13.106 10.863 -12.150 1.00 0.00 C ATOM 891 CG GLU B 10 12.263 11.182 -13.386 1.00 0.00 C ATOM 892 CD GLU B 10 12.209 9.953 -14.295 1.00 0.00 C ATOM 893 OE1 GLU B 10 13.231 9.621 -14.872 1.00 0.00 O ATOM 894 OE2 GLU B 10 11.145 9.363 -14.398 1.00 0.00 O ATOM 0 HA GLU B 10 14.043 12.813 -12.382 1.00 0.00 H new ATOM 0 HB2 GLU B 10 13.436 9.825 -12.180 1.00 0.00 H new ATOM 0 HB3 GLU B 10 12.506 10.980 -11.247 1.00 0.00 H new ATOM 0 HG2 GLU B 10 11.255 11.472 -13.088 1.00 0.00 H new ATOM 0 HG3 GLU B 10 12.692 12.027 -13.924 1.00 0.00 H new ATOM 901 N CYS B 11 16.071 12.406 -10.569 1.00 0.00 N ATOM 902 CA CYS B 11 16.733 12.481 -9.238 1.00 0.00 C ATOM 903 C CYS B 11 15.726 12.881 -8.159 1.00 0.00 C ATOM 904 O CYS B 11 15.800 12.430 -7.031 1.00 0.00 O ATOM 905 CB CYS B 11 17.832 13.540 -9.385 1.00 0.00 C ATOM 906 SG CYS B 11 18.852 13.172 -10.842 1.00 0.00 S ATOM 0 H CYS B 11 16.603 12.812 -11.339 1.00 0.00 H new ATOM 0 HA CYS B 11 17.145 11.519 -8.934 1.00 0.00 H new ATOM 0 HB2 CYS B 11 17.385 14.529 -9.483 1.00 0.00 H new ATOM 0 HB3 CYS B 11 18.454 13.558 -8.490 1.00 0.00 H new ATOM 911 N LYS B 12 14.783 13.713 -8.489 1.00 0.00 N ATOM 912 CA LYS B 12 13.772 14.127 -7.475 1.00 0.00 C ATOM 913 C LYS B 12 12.362 13.795 -7.970 1.00 0.00 C ATOM 914 O LYS B 12 11.397 13.922 -7.246 1.00 0.00 O ATOM 915 CB LYS B 12 13.945 15.640 -7.329 1.00 0.00 C ATOM 916 CG LYS B 12 15.433 15.983 -7.224 1.00 0.00 C ATOM 917 CD LYS B 12 16.063 15.198 -6.072 1.00 0.00 C ATOM 918 CE LYS B 12 16.572 16.173 -5.007 1.00 0.00 C ATOM 919 NZ LYS B 12 16.458 15.435 -3.714 1.00 0.00 N ATOM 0 H LYS B 12 14.666 14.125 -9.415 1.00 0.00 H new ATOM 0 HA LYS B 12 13.908 13.610 -6.525 1.00 0.00 H new ATOM 0 HB2 LYS B 12 13.504 16.150 -8.185 1.00 0.00 H new ATOM 0 HB3 LYS B 12 13.418 15.992 -6.442 1.00 0.00 H new ATOM 0 HG2 LYS B 12 15.938 15.743 -8.160 1.00 0.00 H new ATOM 0 HG3 LYS B 12 15.559 17.053 -7.059 1.00 0.00 H new ATOM 0 HD2 LYS B 12 15.330 14.518 -5.637 1.00 0.00 H new ATOM 0 HD3 LYS B 12 16.885 14.586 -6.442 1.00 0.00 H new ATOM 0 HE2 LYS B 12 17.603 16.467 -5.203 1.00 0.00 H new ATOM 0 HE3 LYS B 12 15.977 17.086 -4.993 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 16.790 16.042 -2.937 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 15.465 15.174 -3.550 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 17.040 14.574 -3.753 1.00 0.00 H new ATOM 933 N SER B 13 12.235 13.371 -9.196 1.00 0.00 N ATOM 934 CA SER B 13 10.884 13.035 -9.736 1.00 0.00 C ATOM 935 C SER B 13 10.444 11.642 -9.267 1.00 0.00 C ATOM 936 O SER B 13 9.282 11.399 -9.007 1.00 0.00 O ATOM 937 CB SER B 13 11.054 13.072 -11.254 1.00 0.00 C ATOM 938 OG SER B 13 10.759 14.380 -11.725 1.00 0.00 O ATOM 0 H SER B 13 13.007 13.242 -9.849 1.00 0.00 H new ATOM 0 HA SER B 13 10.116 13.728 -9.393 1.00 0.00 H new ATOM 0 HB2 SER B 13 12.073 12.796 -11.525 1.00 0.00 H new ATOM 0 HB3 SER B 13 10.392 12.345 -11.724 1.00 0.00 H new ATOM 0 HG SER B 13 10.868 14.410 -12.698 1.00 0.00 H new ATOM 944 N ILE B 14 11.370 10.735 -9.147 1.00 0.00 N ATOM 945 CA ILE B 14 11.033 9.357 -8.685 1.00 0.00 C ATOM 946 C ILE B 14 10.854 9.362 -7.177 1.00 0.00 C ATOM 947 O ILE B 14 9.977 8.723 -6.633 1.00 0.00 O ATOM 948 CB ILE B 14 12.252 8.521 -9.056 1.00 0.00 C ATOM 949 CG1 ILE B 14 12.243 8.260 -10.555 1.00 0.00 C ATOM 950 CG2 ILE B 14 12.221 7.188 -8.305 1.00 0.00 C ATOM 951 CD1 ILE B 14 13.650 7.865 -10.997 1.00 0.00 C ATOM 0 H ILE B 14 12.357 10.889 -9.351 1.00 0.00 H new ATOM 0 HA ILE B 14 10.115 8.974 -9.130 1.00 0.00 H new ATOM 0 HB ILE B 14 13.157 9.062 -8.781 1.00 0.00 H new ATOM 0 HG12 ILE B 14 11.536 7.466 -10.795 1.00 0.00 H new ATOM 0 HG13 ILE B 14 11.916 9.151 -11.091 1.00 0.00 H new ATOM 0 HG21 ILE B 14 13.096 6.597 -8.576 1.00 0.00 H new ATOM 0 HG22 ILE B 14 12.228 7.375 -7.231 1.00 0.00 H new ATOM 0 HG23 ILE B 14 11.317 6.641 -8.572 1.00 0.00 H new ATOM 0 HD11 ILE B 14 13.654 7.676 -12.070 1.00 0.00 H new ATOM 0 HD12 ILE B 14 14.344 8.674 -10.768 1.00 0.00 H new ATOM 0 HD13 ILE B 14 13.958 6.963 -10.468 1.00 0.00 H new ATOM 963 N VAL B 15 11.683 10.098 -6.506 1.00 0.00 N ATOM 964 CA VAL B 15 11.573 10.179 -5.027 1.00 0.00 C ATOM 965 C VAL B 15 10.433 11.138 -4.695 1.00 0.00 C ATOM 966 O VAL B 15 9.878 11.119 -3.612 1.00 0.00 O ATOM 967 CB VAL B 15 12.927 10.698 -4.500 1.00 0.00 C ATOM 968 CG1 VAL B 15 13.304 9.915 -3.242 1.00 0.00 C ATOM 969 CG2 VAL B 15 14.035 10.497 -5.543 1.00 0.00 C ATOM 0 H VAL B 15 12.436 10.650 -6.917 1.00 0.00 H new ATOM 0 HA VAL B 15 11.356 9.216 -4.565 1.00 0.00 H new ATOM 0 HB VAL B 15 12.828 11.762 -4.285 1.00 0.00 H new ATOM 0 HG11 VAL B 15 14.260 10.275 -2.862 1.00 0.00 H new ATOM 0 HG12 VAL B 15 12.535 10.056 -2.482 1.00 0.00 H new ATOM 0 HG13 VAL B 15 13.386 8.855 -3.484 1.00 0.00 H new ATOM 0 HG21 VAL B 15 14.979 10.871 -5.147 1.00 0.00 H new ATOM 0 HG22 VAL B 15 14.132 9.436 -5.771 1.00 0.00 H new ATOM 0 HG23 VAL B 15 13.782 11.042 -6.453 1.00 0.00 H new ATOM 979 N LYS B 16 10.045 11.942 -5.653 1.00 0.00 N ATOM 980 CA LYS B 16 8.902 12.866 -5.433 1.00 0.00 C ATOM 981 C LYS B 16 7.634 12.022 -5.439 1.00 0.00 C ATOM 982 O LYS B 16 6.753 12.186 -4.619 1.00 0.00 O ATOM 983 CB LYS B 16 8.931 13.839 -6.621 1.00 0.00 C ATOM 984 CG LYS B 16 7.522 14.369 -6.909 1.00 0.00 C ATOM 985 CD LYS B 16 6.845 14.769 -5.596 1.00 0.00 C ATOM 986 CE LYS B 16 6.376 16.222 -5.686 1.00 0.00 C ATOM 987 NZ LYS B 16 7.522 17.025 -5.177 1.00 0.00 N ATOM 0 H LYS B 16 10.474 11.995 -6.577 1.00 0.00 H new ATOM 0 HA LYS B 16 8.947 13.417 -4.493 1.00 0.00 H new ATOM 0 HB2 LYS B 16 9.602 14.670 -6.403 1.00 0.00 H new ATOM 0 HB3 LYS B 16 9.325 13.335 -7.503 1.00 0.00 H new ATOM 0 HG2 LYS B 16 7.575 15.228 -7.578 1.00 0.00 H new ATOM 0 HG3 LYS B 16 6.932 13.606 -7.416 1.00 0.00 H new ATOM 0 HD2 LYS B 16 5.997 14.114 -5.397 1.00 0.00 H new ATOM 0 HD3 LYS B 16 7.541 14.651 -4.765 1.00 0.00 H new ATOM 0 HE2 LYS B 16 6.127 16.494 -6.712 1.00 0.00 H new ATOM 0 HE3 LYS B 16 5.481 16.386 -5.086 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 7.278 18.036 -5.207 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 7.732 16.748 -4.197 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 8.358 16.853 -5.772 1.00 0.00 H new ATOM 1001 N PHE B 17 7.564 11.086 -6.348 1.00 0.00 N ATOM 1002 CA PHE B 17 6.381 10.188 -6.398 1.00 0.00 C ATOM 1003 C PHE B 17 6.442 9.241 -5.196 1.00 0.00 C ATOM 1004 O PHE B 17 5.433 8.817 -4.669 1.00 0.00 O ATOM 1005 CB PHE B 17 6.521 9.427 -7.724 1.00 0.00 C ATOM 1006 CG PHE B 17 5.915 8.047 -7.603 1.00 0.00 C ATOM 1007 CD1 PHE B 17 6.630 7.033 -6.956 1.00 0.00 C ATOM 1008 CD2 PHE B 17 4.647 7.782 -8.132 1.00 0.00 C ATOM 1009 CE1 PHE B 17 6.079 5.754 -6.837 1.00 0.00 C ATOM 1010 CE2 PHE B 17 4.095 6.502 -8.014 1.00 0.00 C ATOM 1011 CZ PHE B 17 4.810 5.487 -7.367 1.00 0.00 C ATOM 0 H PHE B 17 8.276 10.907 -7.056 1.00 0.00 H new ATOM 0 HA PHE B 17 5.427 10.713 -6.351 1.00 0.00 H new ATOM 0 HB2 PHE B 17 6.027 9.980 -8.523 1.00 0.00 H new ATOM 0 HB3 PHE B 17 7.573 9.347 -7.996 1.00 0.00 H new ATOM 0 HD1 PHE B 17 7.609 7.239 -6.548 1.00 0.00 H new ATOM 0 HD2 PHE B 17 4.095 8.565 -8.631 1.00 0.00 H new ATOM 0 HE1 PHE B 17 6.631 4.972 -6.337 1.00 0.00 H new ATOM 0 HE2 PHE B 17 3.116 6.297 -8.422 1.00 0.00 H new ATOM 0 HZ PHE B 17 4.384 4.499 -7.277 1.00 0.00 H new ATOM 1021 N GLN B 18 7.630 8.918 -4.755 1.00 0.00 N ATOM 1022 CA GLN B 18 7.766 8.011 -3.581 1.00 0.00 C ATOM 1023 C GLN B 18 7.065 8.630 -2.372 1.00 0.00 C ATOM 1024 O GLN B 18 6.376 7.961 -1.629 1.00 0.00 O ATOM 1025 CB GLN B 18 9.270 7.894 -3.332 1.00 0.00 C ATOM 1026 CG GLN B 18 9.850 6.782 -4.208 1.00 0.00 C ATOM 1027 CD GLN B 18 11.196 6.326 -3.638 1.00 0.00 C ATOM 1028 OE1 GLN B 18 11.657 5.243 -3.935 1.00 0.00 O ATOM 1029 NE2 GLN B 18 11.850 7.112 -2.827 1.00 0.00 N ATOM 0 H GLN B 18 8.509 9.243 -5.157 1.00 0.00 H new ATOM 0 HA GLN B 18 7.314 7.034 -3.754 1.00 0.00 H new ATOM 0 HB2 GLN B 18 9.761 8.841 -3.557 1.00 0.00 H new ATOM 0 HB3 GLN B 18 9.459 7.678 -2.280 1.00 0.00 H new ATOM 0 HG2 GLN B 18 9.158 5.941 -4.250 1.00 0.00 H new ATOM 0 HG3 GLN B 18 9.979 7.140 -5.229 1.00 0.00 H new ATOM 0 HE21 GLN B 18 11.464 8.022 -2.577 1.00 0.00 H new ATOM 0 HE22 GLN B 18 12.748 6.816 -2.443 1.00 0.00 H new ATOM 1038 N THR B 19 7.228 9.910 -2.180 1.00 0.00 N ATOM 1039 CA THR B 19 6.560 10.583 -1.029 1.00 0.00 C ATOM 1040 C THR B 19 5.049 10.360 -1.113 1.00 0.00 C ATOM 1041 O THR B 19 4.376 10.208 -0.114 1.00 0.00 O ATOM 1042 CB THR B 19 6.893 12.066 -1.186 1.00 0.00 C ATOM 1043 OG1 THR B 19 8.241 12.290 -0.800 1.00 0.00 O ATOM 1044 CG2 THR B 19 5.961 12.896 -0.304 1.00 0.00 C ATOM 0 H THR B 19 7.795 10.519 -2.770 1.00 0.00 H new ATOM 0 HA THR B 19 6.894 10.196 -0.066 1.00 0.00 H new ATOM 0 HB THR B 19 6.760 12.361 -2.227 1.00 0.00 H new ATOM 0 HG1 THR B 19 8.457 13.241 -0.902 1.00 0.00 H new ATOM 0 HG21 THR B 19 6.199 13.954 -0.417 1.00 0.00 H new ATOM 0 HG22 THR B 19 4.927 12.723 -0.603 1.00 0.00 H new ATOM 0 HG23 THR B 19 6.091 12.604 0.738 1.00 0.00 H new ATOM 1052 N LYS B 20 4.515 10.316 -2.304 1.00 0.00 N ATOM 1053 CA LYS B 20 3.052 10.076 -2.451 1.00 0.00 C ATOM 1054 C LYS B 20 2.764 8.640 -2.033 1.00 0.00 C ATOM 1055 O LYS B 20 1.720 8.325 -1.498 1.00 0.00 O ATOM 1056 CB LYS B 20 2.752 10.285 -3.935 1.00 0.00 C ATOM 1057 CG LYS B 20 2.736 11.784 -4.246 1.00 0.00 C ATOM 1058 CD LYS B 20 2.071 12.016 -5.604 1.00 0.00 C ATOM 1059 CE LYS B 20 1.851 13.518 -5.818 1.00 0.00 C ATOM 1060 NZ LYS B 20 1.084 13.624 -7.092 1.00 0.00 N ATOM 0 H LYS B 20 5.027 10.435 -3.178 1.00 0.00 H new ATOM 0 HA LYS B 20 2.440 10.738 -1.838 1.00 0.00 H new ATOM 0 HB2 LYS B 20 3.505 9.784 -4.543 1.00 0.00 H new ATOM 0 HB3 LYS B 20 1.790 9.840 -4.189 1.00 0.00 H new ATOM 0 HG2 LYS B 20 2.195 12.322 -3.468 1.00 0.00 H new ATOM 0 HG3 LYS B 20 3.753 12.175 -4.256 1.00 0.00 H new ATOM 0 HD2 LYS B 20 2.696 11.613 -6.400 1.00 0.00 H new ATOM 0 HD3 LYS B 20 1.118 11.488 -5.649 1.00 0.00 H new ATOM 0 HE2 LYS B 20 1.298 13.957 -4.988 1.00 0.00 H new ATOM 0 HE3 LYS B 20 2.800 14.049 -5.885 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 0.897 14.625 -7.302 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 1.638 13.205 -7.866 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 0.182 13.116 -6.997 1.00 0.00 H new ATOM 1074 N VAL B 21 3.713 7.775 -2.253 1.00 0.00 N ATOM 1075 CA VAL B 21 3.546 6.356 -1.851 1.00 0.00 C ATOM 1076 C VAL B 21 3.771 6.249 -0.343 1.00 0.00 C ATOM 1077 O VAL B 21 3.359 5.305 0.296 1.00 0.00 O ATOM 1078 CB VAL B 21 4.632 5.610 -2.630 1.00 0.00 C ATOM 1079 CG1 VAL B 21 4.976 4.298 -1.923 1.00 0.00 C ATOM 1080 CG2 VAL B 21 4.122 5.308 -4.041 1.00 0.00 C ATOM 0 H VAL B 21 4.604 7.994 -2.698 1.00 0.00 H new ATOM 0 HA VAL B 21 2.557 5.949 -2.062 1.00 0.00 H new ATOM 0 HB VAL B 21 5.526 6.231 -2.684 1.00 0.00 H new ATOM 0 HG11 VAL B 21 5.750 3.774 -2.484 1.00 0.00 H new ATOM 0 HG12 VAL B 21 5.339 4.511 -0.917 1.00 0.00 H new ATOM 0 HG13 VAL B 21 4.085 3.673 -1.863 1.00 0.00 H new ATOM 0 HG21 VAL B 21 4.892 4.777 -4.600 1.00 0.00 H new ATOM 0 HG22 VAL B 21 3.226 4.690 -3.980 1.00 0.00 H new ATOM 0 HG23 VAL B 21 3.884 6.242 -4.550 1.00 0.00 H new ATOM 1090 N GLU B 22 4.419 7.228 0.225 1.00 0.00 N ATOM 1091 CA GLU B 22 4.679 7.213 1.689 1.00 0.00 C ATOM 1092 C GLU B 22 3.393 7.544 2.455 1.00 0.00 C ATOM 1093 O GLU B 22 3.050 6.895 3.423 1.00 0.00 O ATOM 1094 CB GLU B 22 5.738 8.297 1.904 1.00 0.00 C ATOM 1095 CG GLU B 22 7.131 7.673 1.792 1.00 0.00 C ATOM 1096 CD GLU B 22 8.000 8.139 2.962 1.00 0.00 C ATOM 1097 OE1 GLU B 22 7.445 8.455 4.001 1.00 0.00 O ATOM 1098 OE2 GLU B 22 9.209 8.172 2.798 1.00 0.00 O ATOM 0 H GLU B 22 4.782 8.044 -0.268 1.00 0.00 H new ATOM 0 HA GLU B 22 5.014 6.240 2.048 1.00 0.00 H new ATOM 0 HB2 GLU B 22 5.621 9.088 1.163 1.00 0.00 H new ATOM 0 HB3 GLU B 22 5.611 8.757 2.884 1.00 0.00 H new ATOM 0 HG2 GLU B 22 7.054 6.586 1.794 1.00 0.00 H new ATOM 0 HG3 GLU B 22 7.593 7.958 0.847 1.00 0.00 H new ATOM 1105 N GLU B 23 2.675 8.546 2.024 1.00 0.00 N ATOM 1106 CA GLU B 23 1.413 8.906 2.731 1.00 0.00 C ATOM 1107 C GLU B 23 0.286 7.969 2.295 1.00 0.00 C ATOM 1108 O GLU B 23 -0.576 7.619 3.075 1.00 0.00 O ATOM 1109 CB GLU B 23 1.114 10.346 2.312 1.00 0.00 C ATOM 1110 CG GLU B 23 2.378 11.194 2.467 1.00 0.00 C ATOM 1111 CD GLU B 23 2.053 12.452 3.276 1.00 0.00 C ATOM 1112 OE1 GLU B 23 1.855 12.326 4.473 1.00 0.00 O ATOM 1113 OE2 GLU B 23 2.008 13.519 2.686 1.00 0.00 O ATOM 0 H GLU B 23 2.906 9.127 1.218 1.00 0.00 H new ATOM 0 HA GLU B 23 1.503 8.814 3.813 1.00 0.00 H new ATOM 0 HB2 GLU B 23 0.770 10.371 1.278 1.00 0.00 H new ATOM 0 HB3 GLU B 23 0.311 10.755 2.925 1.00 0.00 H new ATOM 0 HG2 GLU B 23 3.156 10.618 2.968 1.00 0.00 H new ATOM 0 HG3 GLU B 23 2.766 11.470 1.487 1.00 0.00 H new ATOM 1120 N LEU B 24 0.288 7.553 1.059 1.00 0.00 N ATOM 1121 CA LEU B 24 -0.782 6.631 0.588 1.00 0.00 C ATOM 1122 C LEU B 24 -0.648 5.283 1.299 1.00 0.00 C ATOM 1123 O LEU B 24 -1.612 4.730 1.791 1.00 0.00 O ATOM 1124 CB LEU B 24 -0.547 6.475 -0.914 1.00 0.00 C ATOM 1125 CG LEU B 24 -1.868 6.128 -1.600 1.00 0.00 C ATOM 1126 CD1 LEU B 24 -2.475 4.891 -0.939 1.00 0.00 C ATOM 1127 CD2 LEU B 24 -2.837 7.303 -1.463 1.00 0.00 C ATOM 0 H LEU B 24 0.982 7.811 0.357 1.00 0.00 H new ATOM 0 HA LEU B 24 -1.782 7.010 0.798 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -0.141 7.398 -1.328 1.00 0.00 H new ATOM 0 HB3 LEU B 24 0.188 5.692 -1.099 1.00 0.00 H new ATOM 0 HG LEU B 24 -1.687 5.926 -2.656 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -3.417 4.643 -1.428 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -1.785 4.052 -1.034 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -2.656 5.094 0.116 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -3.779 7.056 -1.952 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -3.018 7.504 -0.407 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -2.405 8.187 -1.932 1.00 0.00 H new ATOM 1139 N ILE B 25 0.544 4.755 1.365 1.00 0.00 N ATOM 1140 CA ILE B 25 0.741 3.450 2.054 1.00 0.00 C ATOM 1141 C ILE B 25 0.360 3.589 3.531 1.00 0.00 C ATOM 1142 O ILE B 25 -0.314 2.748 4.089 1.00 0.00 O ATOM 1143 CB ILE B 25 2.233 3.132 1.883 1.00 0.00 C ATOM 1144 CG1 ILE B 25 2.443 1.618 1.932 1.00 0.00 C ATOM 1145 CG2 ILE B 25 3.054 3.798 2.990 1.00 0.00 C ATOM 1146 CD1 ILE B 25 3.070 1.155 0.616 1.00 0.00 C ATOM 0 H ILE B 25 1.388 5.171 0.972 1.00 0.00 H new ATOM 0 HA ILE B 25 0.121 2.652 1.645 1.00 0.00 H new ATOM 0 HB ILE B 25 2.565 3.519 0.919 1.00 0.00 H new ATOM 0 HG12 ILE B 25 3.090 1.355 2.769 1.00 0.00 H new ATOM 0 HG13 ILE B 25 1.491 1.112 2.093 1.00 0.00 H new ATOM 0 HG21 ILE B 25 4.109 3.562 2.853 1.00 0.00 H new ATOM 0 HG22 ILE B 25 2.915 4.878 2.946 1.00 0.00 H new ATOM 0 HG23 ILE B 25 2.723 3.429 3.961 1.00 0.00 H new ATOM 0 HD11 ILE B 25 3.222 0.076 0.645 1.00 0.00 H new ATOM 0 HD12 ILE B 25 2.406 1.406 -0.211 1.00 0.00 H new ATOM 0 HD13 ILE B 25 4.029 1.653 0.475 1.00 0.00 H new ATOM 1158 N ASN B 26 0.774 4.656 4.163 1.00 0.00 N ATOM 1159 CA ASN B 26 0.417 4.851 5.598 1.00 0.00 C ATOM 1160 C ASN B 26 -1.104 4.879 5.737 1.00 0.00 C ATOM 1161 O ASN B 26 -1.669 4.349 6.673 1.00 0.00 O ATOM 1162 CB ASN B 26 1.016 6.203 5.985 1.00 0.00 C ATOM 1163 CG ASN B 26 1.349 6.204 7.479 1.00 0.00 C ATOM 1164 OD1 ASN B 26 1.048 5.259 8.181 1.00 0.00 O ATOM 1165 ND2 ASN B 26 1.962 7.232 7.999 1.00 0.00 N ATOM 0 H ASN B 26 1.341 5.397 3.750 1.00 0.00 H new ATOM 0 HA ASN B 26 0.794 4.052 6.237 1.00 0.00 H new ATOM 0 HB2 ASN B 26 1.916 6.395 5.401 1.00 0.00 H new ATOM 0 HB3 ASN B 26 0.312 7.003 5.758 1.00 0.00 H new ATOM 0 HD21 ASN B 26 2.188 7.242 8.994 1.00 0.00 H new ATOM 0 HD22 ASN B 26 2.215 8.026 7.411 1.00 0.00 H new ATOM 1172 N THR B 27 -1.764 5.491 4.796 1.00 0.00 N ATOM 1173 CA THR B 27 -3.249 5.559 4.843 1.00 0.00 C ATOM 1174 C THR B 27 -3.835 4.155 4.686 1.00 0.00 C ATOM 1175 O THR B 27 -4.874 3.844 5.227 1.00 0.00 O ATOM 1176 CB THR B 27 -3.628 6.435 3.652 1.00 0.00 C ATOM 1177 OG1 THR B 27 -3.292 7.785 3.935 1.00 0.00 O ATOM 1178 CG2 THR B 27 -5.129 6.325 3.388 1.00 0.00 C ATOM 0 H THR B 27 -1.336 5.950 3.992 1.00 0.00 H new ATOM 0 HA THR B 27 -3.626 5.960 5.784 1.00 0.00 H new ATOM 0 HB THR B 27 -3.084 6.101 2.769 1.00 0.00 H new ATOM 0 HG1 THR B 27 -2.354 7.944 3.701 1.00 0.00 H new ATOM 0 HG21 THR B 27 -5.396 6.952 2.537 1.00 0.00 H new ATOM 0 HG22 THR B 27 -5.385 5.288 3.169 1.00 0.00 H new ATOM 0 HG23 THR B 27 -5.679 6.656 4.269 1.00 0.00 H new ATOM 1186 N LEU B 28 -3.167 3.304 3.955 1.00 0.00 N ATOM 1187 CA LEU B 28 -3.681 1.916 3.776 1.00 0.00 C ATOM 1188 C LEU B 28 -3.546 1.155 5.094 1.00 0.00 C ATOM 1189 O LEU B 28 -4.457 0.485 5.536 1.00 0.00 O ATOM 1190 CB LEU B 28 -2.789 1.291 2.701 1.00 0.00 C ATOM 1191 CG LEU B 28 -3.232 1.772 1.319 1.00 0.00 C ATOM 1192 CD1 LEU B 28 -2.004 1.931 0.420 1.00 0.00 C ATOM 1193 CD2 LEU B 28 -4.184 0.745 0.702 1.00 0.00 C ATOM 0 H LEU B 28 -2.290 3.509 3.475 1.00 0.00 H new ATOM 0 HA LEU B 28 -4.731 1.891 3.486 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -1.748 1.564 2.875 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -2.847 0.204 2.754 1.00 0.00 H new ATOM 0 HG LEU B 28 -3.743 2.730 1.413 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -2.317 2.274 -0.566 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -1.324 2.661 0.859 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -1.495 0.972 0.326 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -4.500 1.088 -0.283 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -3.673 -0.213 0.606 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -5.058 0.628 1.343 1.00 0.00 H new ATOM 1205 N GLN B 29 -2.416 1.277 5.734 1.00 0.00 N ATOM 1206 CA GLN B 29 -2.221 0.585 7.034 1.00 0.00 C ATOM 1207 C GLN B 29 -3.132 1.232 8.074 1.00 0.00 C ATOM 1208 O GLN B 29 -3.407 0.674 9.118 1.00 0.00 O ATOM 1209 CB GLN B 29 -0.749 0.815 7.377 1.00 0.00 C ATOM 1210 CG GLN B 29 -0.240 -0.327 8.260 1.00 0.00 C ATOM 1211 CD GLN B 29 -0.680 -0.092 9.706 1.00 0.00 C ATOM 1212 OE1 GLN B 29 -1.403 -0.889 10.271 1.00 0.00 O ATOM 1213 NE2 GLN B 29 -0.269 0.975 10.336 1.00 0.00 N ATOM 0 H GLN B 29 -1.620 1.827 5.411 1.00 0.00 H new ATOM 0 HA GLN B 29 -2.461 -0.478 7.003 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -0.157 0.872 6.463 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -0.631 1.767 7.894 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -0.630 -1.279 7.901 1.00 0.00 H new ATOM 0 HG3 GLN B 29 0.847 -0.386 8.205 1.00 0.00 H new ATOM 0 HE21 GLN B 29 0.338 1.645 9.863 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -0.555 1.139 11.301 1.00 0.00 H new ATOM 1222 N GLN B 30 -3.612 2.410 7.777 1.00 0.00 N ATOM 1223 CA GLN B 30 -4.520 3.114 8.721 1.00 0.00 C ATOM 1224 C GLN B 30 -5.921 2.515 8.615 1.00 0.00 C ATOM 1225 O GLN B 30 -6.509 2.097 9.595 1.00 0.00 O ATOM 1226 CB GLN B 30 -4.520 4.569 8.252 1.00 0.00 C ATOM 1227 CG GLN B 30 -3.234 5.248 8.715 1.00 0.00 C ATOM 1228 CD GLN B 30 -3.568 6.316 9.759 1.00 0.00 C ATOM 1229 OE1 GLN B 30 -3.357 7.491 9.531 1.00 0.00 O ATOM 1230 NE2 GLN B 30 -4.086 5.956 10.901 1.00 0.00 N ATOM 0 H GLN B 30 -3.411 2.916 6.914 1.00 0.00 H new ATOM 0 HA GLN B 30 -4.205 3.025 9.761 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -4.597 4.613 7.166 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -5.387 5.093 8.655 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -2.553 4.510 9.139 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -2.724 5.702 7.865 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -4.263 4.970 11.092 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -4.314 6.661 11.602 1.00 0.00 H new ATOM 1239 N LYS B 31 -6.450 2.455 7.425 1.00 0.00 N ATOM 1240 CA LYS B 31 -7.805 1.864 7.245 1.00 0.00 C ATOM 1241 C LYS B 31 -7.741 0.367 7.551 1.00 0.00 C ATOM 1242 O LYS B 31 -8.745 -0.281 7.762 1.00 0.00 O ATOM 1243 CB LYS B 31 -8.158 2.105 5.777 1.00 0.00 C ATOM 1244 CG LYS B 31 -9.099 3.309 5.673 1.00 0.00 C ATOM 1245 CD LYS B 31 -9.177 3.774 4.218 1.00 0.00 C ATOM 1246 CE LYS B 31 -9.740 5.197 4.166 1.00 0.00 C ATOM 1247 NZ LYS B 31 -8.545 6.086 4.208 1.00 0.00 N ATOM 0 H LYS B 31 -6.004 2.789 6.571 1.00 0.00 H new ATOM 0 HA LYS B 31 -8.551 2.303 7.907 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -7.252 2.286 5.198 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.634 1.220 5.356 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -10.092 3.040 6.033 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -8.740 4.120 6.306 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -8.187 3.746 3.763 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -9.811 3.099 3.643 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -10.321 5.359 3.258 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -10.405 5.389 5.008 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -8.850 7.080 4.176 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -8.016 5.915 5.087 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -7.934 5.885 3.391 1.00 0.00 H new ATOM 1261 N LEU B 32 -6.553 -0.176 7.590 1.00 0.00 N ATOM 1262 CA LEU B 32 -6.397 -1.623 7.899 1.00 0.00 C ATOM 1263 C LEU B 32 -6.450 -1.820 9.415 1.00 0.00 C ATOM 1264 O LEU B 32 -7.138 -2.688 9.918 1.00 0.00 O ATOM 1265 CB LEU B 32 -5.017 -1.991 7.350 1.00 0.00 C ATOM 1266 CG LEU B 32 -4.970 -3.483 7.021 1.00 0.00 C ATOM 1267 CD1 LEU B 32 -6.134 -3.842 6.094 1.00 0.00 C ATOM 1268 CD2 LEU B 32 -3.646 -3.804 6.323 1.00 0.00 C ATOM 0 H LEU B 32 -5.681 0.325 7.420 1.00 0.00 H new ATOM 0 HA LEU B 32 -7.180 -2.243 7.463 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -4.804 -1.405 6.456 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -4.247 -1.747 8.082 1.00 0.00 H new ATOM 0 HG LEU B 32 -5.050 -4.061 7.941 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -6.098 -4.906 5.861 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -7.077 -3.610 6.588 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -6.056 -3.266 5.172 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -3.608 -4.867 6.086 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -3.570 -3.225 5.403 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -2.816 -3.549 6.982 1.00 0.00 H new ATOM 1280 N GLU B 33 -5.740 -1.003 10.148 1.00 0.00 N ATOM 1281 CA GLU B 33 -5.763 -1.124 11.633 1.00 0.00 C ATOM 1282 C GLU B 33 -7.135 -0.690 12.152 1.00 0.00 C ATOM 1283 O GLU B 33 -7.518 -0.995 13.262 1.00 0.00 O ATOM 1284 CB GLU B 33 -4.665 -0.182 12.129 1.00 0.00 C ATOM 1285 CG GLU B 33 -4.618 -0.212 13.658 1.00 0.00 C ATOM 1286 CD GLU B 33 -3.270 -0.772 14.117 1.00 0.00 C ATOM 1287 OE1 GLU B 33 -2.929 -1.864 13.692 1.00 0.00 O ATOM 1288 OE2 GLU B 33 -2.601 -0.100 14.884 1.00 0.00 O ATOM 0 H GLU B 33 -5.146 -0.259 9.782 1.00 0.00 H new ATOM 0 HA GLU B 33 -5.593 -2.144 11.979 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -3.701 -0.483 11.719 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -4.857 0.833 11.780 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -4.761 0.792 14.056 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -5.430 -0.827 14.045 1.00 0.00 H new ATOM 1295 N ALA B 34 -7.887 -0.007 11.336 1.00 0.00 N ATOM 1296 CA ALA B 34 -9.249 0.420 11.752 1.00 0.00 C ATOM 1297 C ALA B 34 -10.220 -0.682 11.345 1.00 0.00 C ATOM 1298 O ALA B 34 -11.178 -0.979 12.030 1.00 0.00 O ATOM 1299 CB ALA B 34 -9.530 1.706 10.975 1.00 0.00 C ATOM 0 H ALA B 34 -7.615 0.275 10.394 1.00 0.00 H new ATOM 0 HA ALA B 34 -9.346 0.592 12.824 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -10.521 2.078 11.234 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -8.782 2.457 11.231 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -9.487 1.502 9.905 1.00 0.00 H new ATOM 1305 N VAL B 35 -9.941 -1.305 10.234 1.00 0.00 N ATOM 1306 CA VAL B 35 -10.800 -2.419 9.758 1.00 0.00 C ATOM 1307 C VAL B 35 -10.747 -3.552 10.785 1.00 0.00 C ATOM 1308 O VAL B 35 -11.733 -4.198 11.061 1.00 0.00 O ATOM 1309 CB VAL B 35 -10.171 -2.843 8.423 1.00 0.00 C ATOM 1310 CG1 VAL B 35 -10.317 -4.351 8.216 1.00 0.00 C ATOM 1311 CG2 VAL B 35 -10.869 -2.109 7.278 1.00 0.00 C ATOM 0 H VAL B 35 -9.147 -1.086 9.632 1.00 0.00 H new ATOM 0 HA VAL B 35 -11.848 -2.146 9.633 1.00 0.00 H new ATOM 0 HB VAL B 35 -9.111 -2.590 8.439 1.00 0.00 H new ATOM 0 HG11 VAL B 35 -9.866 -4.633 7.265 1.00 0.00 H new ATOM 0 HG12 VAL B 35 -9.816 -4.880 9.027 1.00 0.00 H new ATOM 0 HG13 VAL B 35 -11.374 -4.617 8.209 1.00 0.00 H new ATOM 0 HG21 VAL B 35 -10.424 -2.408 6.329 1.00 0.00 H new ATOM 0 HG22 VAL B 35 -11.929 -2.361 7.277 1.00 0.00 H new ATOM 0 HG23 VAL B 35 -10.752 -1.033 7.410 1.00 0.00 H new ATOM 1321 N ALA B 36 -9.596 -3.784 11.358 1.00 0.00 N ATOM 1322 CA ALA B 36 -9.483 -4.861 12.376 1.00 0.00 C ATOM 1323 C ALA B 36 -10.267 -4.451 13.618 1.00 0.00 C ATOM 1324 O ALA B 36 -10.762 -5.278 14.359 1.00 0.00 O ATOM 1325 CB ALA B 36 -7.990 -4.962 12.688 1.00 0.00 C ATOM 0 H ALA B 36 -8.734 -3.275 11.164 1.00 0.00 H new ATOM 0 HA ALA B 36 -9.881 -5.816 12.032 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -7.826 -5.739 13.435 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -7.444 -5.212 11.778 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -7.634 -4.007 13.074 1.00 0.00 H new ATOM 1331 N LYS B 37 -10.396 -3.170 13.841 1.00 0.00 N ATOM 1332 CA LYS B 37 -11.163 -2.693 15.026 1.00 0.00 C ATOM 1333 C LYS B 37 -12.656 -2.884 14.771 1.00 0.00 C ATOM 1334 O LYS B 37 -13.424 -3.159 15.672 1.00 0.00 O ATOM 1335 CB LYS B 37 -10.821 -1.208 15.153 1.00 0.00 C ATOM 1336 CG LYS B 37 -10.101 -0.961 16.480 1.00 0.00 C ATOM 1337 CD LYS B 37 -9.039 0.125 16.289 1.00 0.00 C ATOM 1338 CE LYS B 37 -8.724 0.775 17.638 1.00 0.00 C ATOM 1339 NZ LYS B 37 -7.792 1.891 17.315 1.00 0.00 N ATOM 0 H LYS B 37 -10.003 -2.435 13.253 1.00 0.00 H new ATOM 0 HA LYS B 37 -10.915 -3.238 15.937 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -10.189 -0.897 14.321 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -11.730 -0.609 15.104 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -10.817 -0.655 17.243 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -9.636 -1.882 16.831 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -8.134 -0.308 15.862 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -9.396 0.877 15.585 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -9.629 1.143 18.121 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -8.265 0.062 18.323 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -7.528 2.387 18.190 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -6.937 1.509 16.862 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -8.259 2.557 16.667 1.00 0.00 H new ATOM 1353 N ARG B 38 -13.069 -2.758 13.543 1.00 0.00 N ATOM 1354 CA ARG B 38 -14.503 -2.950 13.218 1.00 0.00 C ATOM 1355 C ARG B 38 -14.821 -4.443 13.266 1.00 0.00 C ATOM 1356 O ARG B 38 -15.864 -4.858 13.731 1.00 0.00 O ATOM 1357 CB ARG B 38 -14.661 -2.397 11.803 1.00 0.00 C ATOM 1358 CG ARG B 38 -14.099 -0.974 11.751 1.00 0.00 C ATOM 1359 CD ARG B 38 -15.249 0.026 11.612 1.00 0.00 C ATOM 1360 NE ARG B 38 -15.203 0.472 10.192 1.00 0.00 N ATOM 1361 CZ ARG B 38 -16.266 0.980 9.632 1.00 0.00 C ATOM 1362 NH1 ARG B 38 -16.795 2.075 10.110 1.00 0.00 N ATOM 1363 NH2 ARG B 38 -16.803 0.393 8.598 1.00 0.00 N ATOM 0 H ARG B 38 -12.471 -2.529 12.749 1.00 0.00 H new ATOM 0 HA ARG B 38 -15.177 -2.450 13.913 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -14.137 -3.034 11.091 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -15.712 -2.396 11.516 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -13.528 -0.764 12.656 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -13.412 -0.874 10.910 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -16.206 -0.438 11.849 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -15.125 0.867 12.294 1.00 0.00 H new ATOM 0 HE ARG B 38 -14.340 0.380 9.657 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -16.377 2.532 10.920 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -17.626 2.473 9.673 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -16.392 -0.464 8.227 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -17.634 0.791 8.160 1.00 0.00 H new ATOM 1377 N ILE B 39 -13.906 -5.252 12.809 1.00 0.00 N ATOM 1378 CA ILE B 39 -14.119 -6.723 12.845 1.00 0.00 C ATOM 1379 C ILE B 39 -14.333 -7.151 14.290 1.00 0.00 C ATOM 1380 O ILE B 39 -15.197 -7.948 14.593 1.00 0.00 O ATOM 1381 CB ILE B 39 -12.828 -7.323 12.284 1.00 0.00 C ATOM 1382 CG1 ILE B 39 -12.841 -7.216 10.752 1.00 0.00 C ATOM 1383 CG2 ILE B 39 -12.711 -8.791 12.708 1.00 0.00 C ATOM 1384 CD1 ILE B 39 -13.679 -8.348 10.153 1.00 0.00 C ATOM 0 H ILE B 39 -13.016 -4.954 12.410 1.00 0.00 H new ATOM 0 HA ILE B 39 -14.988 -7.047 12.272 1.00 0.00 H new ATOM 0 HB ILE B 39 -11.971 -6.775 12.675 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -13.250 -6.252 10.450 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -11.822 -7.265 10.368 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -11.790 -9.214 12.306 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -12.695 -8.855 13.796 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -13.564 -9.350 12.324 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -13.682 -8.263 9.066 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -13.252 -9.309 10.441 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -14.701 -8.280 10.525 1.00 0.00 H new ATOM 1396 N GLU B 40 -13.563 -6.603 15.189 1.00 0.00 N ATOM 1397 CA GLU B 40 -13.736 -6.953 16.623 1.00 0.00 C ATOM 1398 C GLU B 40 -15.099 -6.449 17.078 1.00 0.00 C ATOM 1399 O GLU B 40 -15.760 -7.058 17.896 1.00 0.00 O ATOM 1400 CB GLU B 40 -12.608 -6.230 17.361 1.00 0.00 C ATOM 1401 CG GLU B 40 -11.264 -6.605 16.734 1.00 0.00 C ATOM 1402 CD GLU B 40 -10.482 -7.493 17.704 1.00 0.00 C ATOM 1403 OE1 GLU B 40 -10.570 -7.256 18.897 1.00 0.00 O ATOM 1404 OE2 GLU B 40 -9.807 -8.396 17.236 1.00 0.00 O ATOM 0 H GLU B 40 -12.823 -5.929 14.991 1.00 0.00 H new ATOM 0 HA GLU B 40 -13.693 -8.026 16.813 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -12.757 -5.152 17.308 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -12.617 -6.502 18.417 1.00 0.00 H new ATOM 0 HG2 GLU B 40 -11.423 -7.129 15.792 1.00 0.00 H new ATOM 0 HG3 GLU B 40 -10.693 -5.705 16.506 1.00 0.00 H new ATOM 1411 N ALA B 41 -15.536 -5.347 16.529 1.00 0.00 N ATOM 1412 CA ALA B 41 -16.875 -4.818 16.906 1.00 0.00 C ATOM 1413 C ALA B 41 -17.921 -5.889 16.601 1.00 0.00 C ATOM 1414 O ALA B 41 -18.898 -6.044 17.305 1.00 0.00 O ATOM 1415 CB ALA B 41 -17.081 -3.589 16.022 1.00 0.00 C ATOM 0 H ALA B 41 -15.026 -4.794 15.840 1.00 0.00 H new ATOM 0 HA ALA B 41 -16.957 -4.560 17.962 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -18.050 -3.141 16.242 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -16.293 -2.863 16.219 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -17.047 -3.885 14.974 1.00 0.00 H new ATOM 1421 N LEU B 42 -17.700 -6.638 15.556 1.00 0.00 N ATOM 1422 CA LEU B 42 -18.652 -7.721 15.190 1.00 0.00 C ATOM 1423 C LEU B 42 -18.330 -8.977 15.997 1.00 0.00 C ATOM 1424 O LEU B 42 -19.187 -9.791 16.255 1.00 0.00 O ATOM 1425 CB LEU B 42 -18.421 -7.973 13.694 1.00 0.00 C ATOM 1426 CG LEU B 42 -18.950 -6.808 12.833 1.00 0.00 C ATOM 1427 CD1 LEU B 42 -19.961 -5.949 13.605 1.00 0.00 C ATOM 1428 CD2 LEU B 42 -17.772 -5.938 12.403 1.00 0.00 C ATOM 0 H LEU B 42 -16.895 -6.545 14.937 1.00 0.00 H new ATOM 0 HA LEU B 42 -19.688 -7.453 15.397 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -17.356 -8.109 13.508 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -18.917 -8.898 13.400 1.00 0.00 H new ATOM 0 HG LEU B 42 -19.459 -7.225 11.964 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -20.312 -5.138 12.967 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -20.808 -6.566 13.906 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -19.482 -5.532 14.491 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -18.134 -5.110 11.793 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -17.269 -5.545 13.286 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -17.070 -6.537 11.822 1.00 0.00 H new ATOM 1440 N GLU B 43 -17.100 -9.133 16.409 1.00 0.00 N ATOM 1441 CA GLU B 43 -16.731 -10.332 17.214 1.00 0.00 C ATOM 1442 C GLU B 43 -17.287 -10.175 18.622 1.00 0.00 C ATOM 1443 O GLU B 43 -17.457 -11.130 19.352 1.00 0.00 O ATOM 1444 CB GLU B 43 -15.206 -10.341 17.232 1.00 0.00 C ATOM 1445 CG GLU B 43 -14.696 -10.493 15.803 1.00 0.00 C ATOM 1446 CD GLU B 43 -13.670 -11.626 15.742 1.00 0.00 C ATOM 1447 OE1 GLU B 43 -12.805 -11.663 16.602 1.00 0.00 O ATOM 1448 OE2 GLU B 43 -13.768 -12.438 14.837 1.00 0.00 O ATOM 0 H GLU B 43 -16.337 -8.483 16.223 1.00 0.00 H new ATOM 0 HA GLU B 43 -17.130 -11.261 16.805 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -14.829 -9.417 17.671 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -14.841 -11.160 17.852 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -15.527 -10.705 15.130 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -14.243 -9.560 15.467 1.00 0.00 H new ATOM 1455 N ASN B 44 -17.590 -8.967 18.995 1.00 0.00 N ATOM 1456 CA ASN B 44 -18.162 -8.728 20.345 1.00 0.00 C ATOM 1457 C ASN B 44 -19.631 -9.147 20.336 1.00 0.00 C ATOM 1458 O ASN B 44 -20.245 -9.339 21.366 1.00 0.00 O ATOM 1459 CB ASN B 44 -18.031 -7.221 20.576 1.00 0.00 C ATOM 1460 CG ASN B 44 -16.637 -6.904 21.118 1.00 0.00 C ATOM 1461 OD1 ASN B 44 -15.649 -7.392 20.609 1.00 0.00 O ATOM 1462 ND2 ASN B 44 -16.517 -6.098 22.138 1.00 0.00 N ATOM 0 H ASN B 44 -17.466 -8.132 18.422 1.00 0.00 H new ATOM 0 HA ASN B 44 -17.658 -9.293 21.129 1.00 0.00 H new ATOM 0 HB2 ASN B 44 -18.200 -6.684 19.643 1.00 0.00 H new ATOM 0 HB3 ASN B 44 -18.791 -6.883 21.280 1.00 0.00 H new ATOM 0 HD21 ASN B 44 -15.592 -5.878 22.508 1.00 0.00 H new ATOM 0 HD22 ASN B 44 -17.348 -5.688 22.565 1.00 0.00 H new ATOM 1469 N LYS B 45 -20.193 -9.292 19.164 1.00 0.00 N ATOM 1470 CA LYS B 45 -21.622 -9.704 19.060 1.00 0.00 C ATOM 1471 C LYS B 45 -21.703 -11.077 18.387 1.00 0.00 C ATOM 1472 O LYS B 45 -22.722 -11.736 18.416 1.00 0.00 O ATOM 1473 CB LYS B 45 -22.315 -8.640 18.189 1.00 0.00 C ATOM 1474 CG LYS B 45 -21.594 -7.288 18.287 1.00 0.00 C ATOM 1475 CD LYS B 45 -21.284 -6.963 19.749 1.00 0.00 C ATOM 1476 CE LYS B 45 -22.015 -5.682 20.157 1.00 0.00 C ATOM 1477 NZ LYS B 45 -21.181 -5.098 21.242 1.00 0.00 N ATOM 0 H LYS B 45 -19.721 -9.142 18.272 1.00 0.00 H new ATOM 0 HA LYS B 45 -22.098 -9.778 20.038 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -22.333 -8.971 17.151 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -23.352 -8.526 18.505 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -20.670 -7.317 17.709 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -22.216 -6.503 17.856 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -21.593 -7.789 20.389 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -20.210 -6.839 19.885 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -22.108 -4.995 19.316 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -23.025 -5.897 20.506 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -21.616 -4.215 21.577 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -21.116 -5.772 22.031 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -20.228 -4.898 20.878 1.00 0.00 H new ATOM 1491 N ILE B 46 -20.626 -11.516 17.791 1.00 0.00 N ATOM 1492 CA ILE B 46 -20.630 -12.851 17.127 1.00 0.00 C ATOM 1493 C ILE B 46 -19.951 -13.871 18.042 1.00 0.00 C ATOM 1494 O ILE B 46 -20.106 -15.066 17.884 1.00 0.00 O ATOM 1495 CB ILE B 46 -19.824 -12.673 15.832 1.00 0.00 C ATOM 1496 CG1 ILE B 46 -20.614 -11.852 14.798 1.00 0.00 C ATOM 1497 CG2 ILE B 46 -19.510 -14.046 15.237 1.00 0.00 C ATOM 1498 CD1 ILE B 46 -22.102 -12.215 14.849 1.00 0.00 C ATOM 0 H ILE B 46 -19.744 -11.007 17.736 1.00 0.00 H new ATOM 0 HA ILE B 46 -21.639 -13.208 16.919 1.00 0.00 H new ATOM 0 HB ILE B 46 -18.903 -12.142 16.073 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -20.486 -10.788 14.995 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -20.222 -12.040 13.799 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -18.938 -13.922 14.318 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -18.927 -14.627 15.951 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -20.441 -14.569 15.017 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -22.646 -11.625 14.111 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -22.226 -13.275 14.628 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -22.494 -12.003 15.844 1.00 0.00 H new ATOM 1641 N CYS C 9 21.209 11.634 -7.509 1.00 0.00 N ATOM 1642 CA CYS C 9 19.834 11.105 -7.696 1.00 0.00 C ATOM 1643 C CYS C 9 19.624 9.848 -6.846 1.00 0.00 C ATOM 1644 O CYS C 9 18.829 8.988 -7.172 1.00 0.00 O ATOM 1645 CB CYS C 9 19.754 10.779 -9.184 1.00 0.00 C ATOM 1646 SG CYS C 9 20.449 12.154 -10.141 1.00 0.00 S ATOM 0 HA CYS C 9 19.065 11.813 -7.388 1.00 0.00 H new ATOM 0 HB2 CYS C 9 20.301 9.861 -9.396 1.00 0.00 H new ATOM 0 HB3 CYS C 9 18.718 10.607 -9.474 1.00 0.00 H new ATOM 1651 N GLU C 10 20.323 9.746 -5.751 1.00 0.00 N ATOM 1652 CA GLU C 10 20.162 8.561 -4.861 1.00 0.00 C ATOM 1653 C GLU C 10 20.127 7.256 -5.669 1.00 0.00 C ATOM 1654 O GLU C 10 19.175 6.504 -5.601 1.00 0.00 O ATOM 1655 CB GLU C 10 18.824 8.795 -4.162 1.00 0.00 C ATOM 1656 CG GLU C 10 19.007 9.817 -3.037 1.00 0.00 C ATOM 1657 CD GLU C 10 18.217 11.086 -3.363 1.00 0.00 C ATOM 1658 OE1 GLU C 10 18.652 11.825 -4.231 1.00 0.00 O ATOM 1659 OE2 GLU C 10 17.191 11.299 -2.739 1.00 0.00 O ATOM 0 H GLU C 10 21.003 10.436 -5.432 1.00 0.00 H new ATOM 0 HA GLU C 10 20.992 8.458 -4.162 1.00 0.00 H new ATOM 0 HB2 GLU C 10 18.086 9.155 -4.878 1.00 0.00 H new ATOM 0 HB3 GLU C 10 18.444 7.857 -3.757 1.00 0.00 H new ATOM 0 HG2 GLU C 10 18.665 9.397 -2.091 1.00 0.00 H new ATOM 0 HG3 GLU C 10 20.064 10.055 -2.917 1.00 0.00 H new ATOM 1666 N CYS C 11 21.156 6.974 -6.426 1.00 0.00 N ATOM 1667 CA CYS C 11 21.167 5.709 -7.220 1.00 0.00 C ATOM 1668 C CYS C 11 20.670 4.538 -6.372 1.00 0.00 C ATOM 1669 O CYS C 11 19.977 3.663 -6.851 1.00 0.00 O ATOM 1670 CB CYS C 11 22.629 5.484 -7.618 1.00 0.00 C ATOM 1671 SG CYS C 11 22.979 6.245 -9.228 1.00 0.00 S ATOM 0 H CYS C 11 21.984 7.561 -6.528 1.00 0.00 H new ATOM 0 HA CYS C 11 20.513 5.778 -8.089 1.00 0.00 H new ATOM 0 HB2 CYS C 11 23.287 5.907 -6.859 1.00 0.00 H new ATOM 0 HB3 CYS C 11 22.839 4.415 -7.662 1.00 0.00 H new ATOM 0 HG CYS C 11 24.224 6.043 -9.542 1.00 0.00 H new ATOM 1676 N LYS C 12 21.027 4.505 -5.119 1.00 0.00 N ATOM 1677 CA LYS C 12 20.582 3.378 -4.251 1.00 0.00 C ATOM 1678 C LYS C 12 19.785 3.899 -3.050 1.00 0.00 C ATOM 1679 O LYS C 12 19.277 3.133 -2.260 1.00 0.00 O ATOM 1680 CB LYS C 12 21.872 2.704 -3.781 1.00 0.00 C ATOM 1681 CG LYS C 12 22.835 2.552 -4.961 1.00 0.00 C ATOM 1682 CD LYS C 12 22.141 1.790 -6.092 1.00 0.00 C ATOM 1683 CE LYS C 12 22.919 0.506 -6.396 1.00 0.00 C ATOM 1684 NZ LYS C 12 21.895 -0.477 -6.855 1.00 0.00 N ATOM 0 H LYS C 12 21.606 5.207 -4.659 1.00 0.00 H new ATOM 0 HA LYS C 12 19.928 2.689 -4.786 1.00 0.00 H new ATOM 0 HB2 LYS C 12 22.337 3.297 -2.994 1.00 0.00 H new ATOM 0 HB3 LYS C 12 21.648 1.727 -3.354 1.00 0.00 H new ATOM 0 HG2 LYS C 12 23.154 3.533 -5.312 1.00 0.00 H new ATOM 0 HG3 LYS C 12 23.732 2.019 -4.646 1.00 0.00 H new ATOM 0 HD2 LYS C 12 21.117 1.548 -5.807 1.00 0.00 H new ATOM 0 HD3 LYS C 12 22.085 2.414 -6.984 1.00 0.00 H new ATOM 0 HE2 LYS C 12 23.673 0.676 -7.165 1.00 0.00 H new ATOM 0 HE3 LYS C 12 23.442 0.144 -5.511 1.00 0.00 H new ATOM 0 HZ1 LYS C 12 22.358 -1.381 -7.081 1.00 0.00 H new ATOM 0 HZ2 LYS C 12 21.194 -0.626 -6.101 1.00 0.00 H new ATOM 0 HZ3 LYS C 12 21.418 -0.111 -7.704 1.00 0.00 H new ATOM 1698 N SER C 13 19.673 5.191 -2.905 1.00 0.00 N ATOM 1699 CA SER C 13 18.907 5.743 -1.744 1.00 0.00 C ATOM 1700 C SER C 13 17.405 5.767 -2.049 1.00 0.00 C ATOM 1701 O SER C 13 16.578 5.602 -1.173 1.00 0.00 O ATOM 1702 CB SER C 13 19.451 7.158 -1.557 1.00 0.00 C ATOM 1703 OG SER C 13 20.534 7.126 -0.637 1.00 0.00 O ATOM 0 H SER C 13 20.074 5.887 -3.534 1.00 0.00 H new ATOM 0 HA SER C 13 19.025 5.138 -0.845 1.00 0.00 H new ATOM 0 HB2 SER C 13 19.783 7.562 -2.513 1.00 0.00 H new ATOM 0 HB3 SER C 13 18.665 7.817 -1.188 1.00 0.00 H new ATOM 0 HG SER C 13 20.887 8.032 -0.516 1.00 0.00 H new ATOM 1709 N ILE C 14 17.052 5.952 -3.287 1.00 0.00 N ATOM 1710 CA ILE C 14 15.612 5.970 -3.670 1.00 0.00 C ATOM 1711 C ILE C 14 15.125 4.538 -3.797 1.00 0.00 C ATOM 1712 O ILE C 14 14.021 4.199 -3.426 1.00 0.00 O ATOM 1713 CB ILE C 14 15.586 6.654 -5.032 1.00 0.00 C ATOM 1714 CG1 ILE C 14 15.776 8.153 -4.844 1.00 0.00 C ATOM 1715 CG2 ILE C 14 14.250 6.390 -5.734 1.00 0.00 C ATOM 1716 CD1 ILE C 14 16.209 8.766 -6.173 1.00 0.00 C ATOM 0 H ILE C 14 17.704 6.093 -4.059 1.00 0.00 H new ATOM 0 HA ILE C 14 14.979 6.481 -2.944 1.00 0.00 H new ATOM 0 HB ILE C 14 16.391 6.253 -5.648 1.00 0.00 H new ATOM 0 HG12 ILE C 14 14.848 8.611 -4.502 1.00 0.00 H new ATOM 0 HG13 ILE C 14 16.527 8.345 -4.078 1.00 0.00 H new ATOM 0 HG21 ILE C 14 14.245 6.884 -6.705 1.00 0.00 H new ATOM 0 HG22 ILE C 14 14.117 5.317 -5.872 1.00 0.00 H new ATOM 0 HG23 ILE C 14 13.435 6.781 -5.124 1.00 0.00 H new ATOM 0 HD11 ILE C 14 16.348 9.840 -6.050 1.00 0.00 H new ATOM 0 HD12 ILE C 14 17.147 8.313 -6.494 1.00 0.00 H new ATOM 0 HD13 ILE C 14 15.442 8.583 -6.925 1.00 0.00 H new ATOM 1728 N VAL C 15 15.970 3.693 -4.301 1.00 0.00 N ATOM 1729 CA VAL C 15 15.599 2.260 -4.446 1.00 0.00 C ATOM 1730 C VAL C 15 15.790 1.592 -3.087 1.00 0.00 C ATOM 1731 O VAL C 15 15.232 0.549 -2.804 1.00 0.00 O ATOM 1732 CB VAL C 15 16.546 1.658 -5.504 1.00 0.00 C ATOM 1733 CG1 VAL C 15 15.754 0.698 -6.394 1.00 0.00 C ATOM 1734 CG2 VAL C 15 17.145 2.763 -6.388 1.00 0.00 C ATOM 0 H VAL C 15 16.908 3.932 -4.622 1.00 0.00 H new ATOM 0 HA VAL C 15 14.565 2.118 -4.762 1.00 0.00 H new ATOM 0 HB VAL C 15 17.353 1.134 -4.992 1.00 0.00 H new ATOM 0 HG11 VAL C 15 16.417 0.268 -7.145 1.00 0.00 H new ATOM 0 HG12 VAL C 15 15.332 -0.100 -5.783 1.00 0.00 H new ATOM 0 HG13 VAL C 15 14.949 1.241 -6.889 1.00 0.00 H new ATOM 0 HG21 VAL C 15 17.810 2.317 -7.128 1.00 0.00 H new ATOM 0 HG22 VAL C 15 16.342 3.297 -6.897 1.00 0.00 H new ATOM 0 HG23 VAL C 15 17.708 3.460 -5.767 1.00 0.00 H new ATOM 1744 N LYS C 16 16.547 2.221 -2.226 1.00 0.00 N ATOM 1745 CA LYS C 16 16.741 1.660 -0.863 1.00 0.00 C ATOM 1746 C LYS C 16 15.438 1.862 -0.105 1.00 0.00 C ATOM 1747 O LYS C 16 14.949 0.979 0.574 1.00 0.00 O ATOM 1748 CB LYS C 16 17.879 2.478 -0.240 1.00 0.00 C ATOM 1749 CG LYS C 16 17.756 2.479 1.288 1.00 0.00 C ATOM 1750 CD LYS C 16 17.456 1.062 1.782 1.00 0.00 C ATOM 1751 CE LYS C 16 18.477 0.668 2.850 1.00 0.00 C ATOM 1752 NZ LYS C 16 19.504 -0.129 2.125 1.00 0.00 N ATOM 0 H LYS C 16 17.037 3.097 -2.410 1.00 0.00 H new ATOM 0 HA LYS C 16 16.990 0.599 -0.851 1.00 0.00 H new ATOM 0 HB2 LYS C 16 18.841 2.059 -0.534 1.00 0.00 H new ATOM 0 HB3 LYS C 16 17.849 3.501 -0.615 1.00 0.00 H new ATOM 0 HG2 LYS C 16 18.680 2.843 1.737 1.00 0.00 H new ATOM 0 HG3 LYS C 16 16.962 3.158 1.598 1.00 0.00 H new ATOM 0 HD2 LYS C 16 16.447 1.014 2.193 1.00 0.00 H new ATOM 0 HD3 LYS C 16 17.495 0.359 0.950 1.00 0.00 H new ATOM 0 HE2 LYS C 16 18.918 1.548 3.318 1.00 0.00 H new ATOM 0 HE3 LYS C 16 18.012 0.084 3.644 1.00 0.00 H new ATOM 0 HZ1 LYS C 16 20.240 -0.436 2.792 1.00 0.00 H new ATOM 0 HZ2 LYS C 16 19.056 -0.964 1.696 1.00 0.00 H new ATOM 0 HZ3 LYS C 16 19.934 0.455 1.380 1.00 0.00 H new ATOM 1766 N PHE C 17 14.855 3.020 -0.252 1.00 0.00 N ATOM 1767 CA PHE C 17 13.559 3.284 0.423 1.00 0.00 C ATOM 1768 C PHE C 17 12.480 2.434 -0.255 1.00 0.00 C ATOM 1769 O PHE C 17 11.520 2.010 0.361 1.00 0.00 O ATOM 1770 CB PHE C 17 13.310 4.785 0.216 1.00 0.00 C ATOM 1771 CG PHE C 17 11.826 5.067 0.161 1.00 0.00 C ATOM 1772 CD1 PHE C 17 11.119 4.859 -1.029 1.00 0.00 C ATOM 1773 CD2 PHE C 17 11.159 5.533 1.299 1.00 0.00 C ATOM 1774 CE1 PHE C 17 9.747 5.118 -1.083 1.00 0.00 C ATOM 1775 CE2 PHE C 17 9.785 5.793 1.246 1.00 0.00 C ATOM 1776 CZ PHE C 17 9.078 5.585 0.056 1.00 0.00 C ATOM 0 H PHE C 17 15.221 3.792 -0.810 1.00 0.00 H new ATOM 0 HA PHE C 17 13.553 3.032 1.484 1.00 0.00 H new ATOM 0 HB2 PHE C 17 13.765 5.352 1.028 1.00 0.00 H new ATOM 0 HB3 PHE C 17 13.785 5.115 -0.708 1.00 0.00 H new ATOM 0 HD1 PHE C 17 11.635 4.498 -1.907 1.00 0.00 H new ATOM 0 HD2 PHE C 17 11.704 5.692 2.218 1.00 0.00 H new ATOM 0 HE1 PHE C 17 9.203 4.958 -2.002 1.00 0.00 H new ATOM 0 HE2 PHE C 17 9.270 6.154 2.124 1.00 0.00 H new ATOM 0 HZ PHE C 17 8.017 5.784 0.016 1.00 0.00 H new ATOM 1786 N GLN C 18 12.644 2.179 -1.526 1.00 0.00 N ATOM 1787 CA GLN C 18 11.642 1.352 -2.258 1.00 0.00 C ATOM 1788 C GLN C 18 11.530 -0.032 -1.614 1.00 0.00 C ATOM 1789 O GLN C 18 10.451 -0.557 -1.432 1.00 0.00 O ATOM 1790 CB GLN C 18 12.182 1.238 -3.683 1.00 0.00 C ATOM 1791 CG GLN C 18 11.725 2.446 -4.504 1.00 0.00 C ATOM 1792 CD GLN C 18 11.816 2.114 -5.996 1.00 0.00 C ATOM 1793 OE1 GLN C 18 12.578 1.130 -6.389 1.00 0.00 O flip ATOM 1794 NE2 GLN C 18 11.188 2.759 -6.811 1.00 0.00 N flip ATOM 0 H GLN C 18 13.429 2.508 -2.089 1.00 0.00 H new ATOM 0 HA GLN C 18 10.647 1.796 -2.236 1.00 0.00 H new ATOM 0 HB2 GLN C 18 13.271 1.187 -3.667 1.00 0.00 H new ATOM 0 HB3 GLN C 18 11.827 0.317 -4.145 1.00 0.00 H new ATOM 0 HG2 GLN C 18 10.701 2.711 -4.241 1.00 0.00 H new ATOM 0 HG3 GLN C 18 12.347 3.311 -4.275 1.00 0.00 H new ATOM 0 HE21 GLN C 18 10.593 3.528 -6.504 1.00 0.00 H new ATOM 0 HE22 GLN C 18 11.256 2.532 -7.803 1.00 0.00 H new ATOM 1803 N THR C 19 12.639 -0.622 -1.265 1.00 0.00 N ATOM 1804 CA THR C 19 12.592 -1.968 -0.626 1.00 0.00 C ATOM 1805 C THR C 19 11.739 -1.902 0.640 1.00 0.00 C ATOM 1806 O THR C 19 11.044 -2.837 0.984 1.00 0.00 O ATOM 1807 CB THR C 19 14.044 -2.301 -0.283 1.00 0.00 C ATOM 1808 OG1 THR C 19 14.727 -2.691 -1.467 1.00 0.00 O ATOM 1809 CG2 THR C 19 14.081 -3.444 0.731 1.00 0.00 C ATOM 0 H THR C 19 13.573 -0.233 -1.394 1.00 0.00 H new ATOM 0 HA THR C 19 12.152 -2.725 -1.275 1.00 0.00 H new ATOM 0 HB THR C 19 14.529 -1.424 0.146 1.00 0.00 H new ATOM 0 HG1 THR C 19 15.659 -2.904 -1.252 1.00 0.00 H new ATOM 0 HG21 THR C 19 15.117 -3.681 0.975 1.00 0.00 H new ATOM 0 HG22 THR C 19 13.554 -3.144 1.637 1.00 0.00 H new ATOM 0 HG23 THR C 19 13.598 -4.324 0.305 1.00 0.00 H new ATOM 1817 N LYS C 20 11.768 -0.792 1.324 1.00 0.00 N ATOM 1818 CA LYS C 20 10.937 -0.659 2.551 1.00 0.00 C ATOM 1819 C LYS C 20 9.472 -0.616 2.128 1.00 0.00 C ATOM 1820 O LYS C 20 8.591 -1.091 2.818 1.00 0.00 O ATOM 1821 CB LYS C 20 11.373 0.661 3.190 1.00 0.00 C ATOM 1822 CG LYS C 20 12.700 0.451 3.925 1.00 0.00 C ATOM 1823 CD LYS C 20 12.887 1.550 4.974 1.00 0.00 C ATOM 1824 CE LYS C 20 14.191 1.306 5.741 1.00 0.00 C ATOM 1825 NZ LYS C 20 14.276 2.422 6.725 1.00 0.00 N ATOM 0 H LYS C 20 12.330 0.026 1.087 1.00 0.00 H new ATOM 0 HA LYS C 20 11.057 -1.483 3.254 1.00 0.00 H new ATOM 0 HB2 LYS C 20 11.485 1.430 2.425 1.00 0.00 H new ATOM 0 HB3 LYS C 20 10.610 1.012 3.885 1.00 0.00 H new ATOM 0 HG2 LYS C 20 12.711 -0.528 4.404 1.00 0.00 H new ATOM 0 HG3 LYS C 20 13.527 0.468 3.215 1.00 0.00 H new ATOM 0 HD2 LYS C 20 12.913 2.527 4.492 1.00 0.00 H new ATOM 0 HD3 LYS C 20 12.043 1.557 5.663 1.00 0.00 H new ATOM 0 HE2 LYS C 20 14.179 0.338 6.242 1.00 0.00 H new ATOM 0 HE3 LYS C 20 15.050 1.306 5.069 1.00 0.00 H new ATOM 0 HZ1 LYS C 20 15.145 2.323 7.288 1.00 0.00 H new ATOM 0 HZ2 LYS C 20 14.293 3.330 6.219 1.00 0.00 H new ATOM 0 HZ3 LYS C 20 13.449 2.393 7.355 1.00 0.00 H new ATOM 1839 N VAL C 21 9.222 -0.074 0.970 1.00 0.00 N ATOM 1840 CA VAL C 21 7.834 -0.015 0.442 1.00 0.00 C ATOM 1841 C VAL C 21 7.461 -1.397 -0.099 1.00 0.00 C ATOM 1842 O VAL C 21 6.306 -1.733 -0.248 1.00 0.00 O ATOM 1843 CB VAL C 21 7.904 1.028 -0.677 1.00 0.00 C ATOM 1844 CG1 VAL C 21 6.757 0.822 -1.669 1.00 0.00 C ATOM 1845 CG2 VAL C 21 7.798 2.428 -0.068 1.00 0.00 C ATOM 0 H VAL C 21 9.930 0.335 0.360 1.00 0.00 H new ATOM 0 HA VAL C 21 7.083 0.252 1.186 1.00 0.00 H new ATOM 0 HB VAL C 21 8.852 0.919 -1.204 1.00 0.00 H new ATOM 0 HG11 VAL C 21 6.820 1.571 -2.459 1.00 0.00 H new ATOM 0 HG12 VAL C 21 6.829 -0.174 -2.107 1.00 0.00 H new ATOM 0 HG13 VAL C 21 5.804 0.922 -1.149 1.00 0.00 H new ATOM 0 HG21 VAL C 21 7.847 3.174 -0.861 1.00 0.00 H new ATOM 0 HG22 VAL C 21 6.850 2.524 0.462 1.00 0.00 H new ATOM 0 HG23 VAL C 21 8.621 2.585 0.629 1.00 0.00 H new ATOM 1855 N GLU C 22 8.446 -2.206 -0.379 1.00 0.00 N ATOM 1856 CA GLU C 22 8.172 -3.575 -0.899 1.00 0.00 C ATOM 1857 C GLU C 22 7.667 -4.480 0.229 1.00 0.00 C ATOM 1858 O GLU C 22 6.704 -5.204 0.073 1.00 0.00 O ATOM 1859 CB GLU C 22 9.523 -4.066 -1.423 1.00 0.00 C ATOM 1860 CG GLU C 22 9.659 -3.699 -2.901 1.00 0.00 C ATOM 1861 CD GLU C 22 10.085 -4.935 -3.695 1.00 0.00 C ATOM 1862 OE1 GLU C 22 9.649 -6.020 -3.345 1.00 0.00 O ATOM 1863 OE2 GLU C 22 10.840 -4.777 -4.640 1.00 0.00 O ATOM 0 H GLU C 22 9.434 -1.976 -0.269 1.00 0.00 H new ATOM 0 HA GLU C 22 7.404 -3.582 -1.673 1.00 0.00 H new ATOM 0 HB2 GLU C 22 10.333 -3.616 -0.849 1.00 0.00 H new ATOM 0 HB3 GLU C 22 9.604 -5.146 -1.296 1.00 0.00 H new ATOM 0 HG2 GLU C 22 8.711 -3.318 -3.281 1.00 0.00 H new ATOM 0 HG3 GLU C 22 10.394 -2.904 -3.023 1.00 0.00 H new ATOM 1870 N GLU C 23 8.307 -4.444 1.365 1.00 0.00 N ATOM 1871 CA GLU C 23 7.856 -5.302 2.497 1.00 0.00 C ATOM 1872 C GLU C 23 6.655 -4.663 3.190 1.00 0.00 C ATOM 1873 O GLU C 23 5.767 -5.342 3.667 1.00 0.00 O ATOM 1874 CB GLU C 23 9.053 -5.371 3.448 1.00 0.00 C ATOM 1875 CG GLU C 23 10.330 -5.640 2.650 1.00 0.00 C ATOM 1876 CD GLU C 23 11.072 -6.833 3.258 1.00 0.00 C ATOM 1877 OE1 GLU C 23 10.665 -7.953 2.998 1.00 0.00 O ATOM 1878 OE2 GLU C 23 12.034 -6.605 3.971 1.00 0.00 O ATOM 0 H GLU C 23 9.120 -3.860 1.558 1.00 0.00 H new ATOM 0 HA GLU C 23 7.545 -6.293 2.167 1.00 0.00 H new ATOM 0 HB2 GLU C 23 9.147 -4.435 3.998 1.00 0.00 H new ATOM 0 HB3 GLU C 23 8.900 -6.160 4.184 1.00 0.00 H new ATOM 0 HG2 GLU C 23 10.084 -5.844 1.608 1.00 0.00 H new ATOM 0 HG3 GLU C 23 10.970 -4.757 2.659 1.00 0.00 H new ATOM 1885 N LEU C 24 6.612 -3.360 3.247 1.00 0.00 N ATOM 1886 CA LEU C 24 5.459 -2.687 3.906 1.00 0.00 C ATOM 1887 C LEU C 24 4.194 -2.910 3.075 1.00 0.00 C ATOM 1888 O LEU C 24 3.152 -3.258 3.594 1.00 0.00 O ATOM 1889 CB LEU C 24 5.829 -1.204 3.946 1.00 0.00 C ATOM 1890 CG LEU C 24 5.123 -0.536 5.126 1.00 0.00 C ATOM 1891 CD1 LEU C 24 3.626 -0.844 5.067 1.00 0.00 C ATOM 1892 CD2 LEU C 24 5.703 -1.076 6.436 1.00 0.00 C ATOM 0 H LEU C 24 7.323 -2.735 2.867 1.00 0.00 H new ATOM 0 HA LEU C 24 5.262 -3.075 4.905 1.00 0.00 H new ATOM 0 HB2 LEU C 24 6.909 -1.090 4.042 1.00 0.00 H new ATOM 0 HB3 LEU C 24 5.539 -0.720 3.013 1.00 0.00 H new ATOM 0 HG LEU C 24 5.273 0.542 5.077 1.00 0.00 H new ATOM 0 HD11 LEU C 24 3.123 -0.368 5.909 1.00 0.00 H new ATOM 0 HD12 LEU C 24 3.212 -0.462 4.134 1.00 0.00 H new ATOM 0 HD13 LEU C 24 3.474 -1.922 5.117 1.00 0.00 H new ATOM 0 HD21 LEU C 24 5.201 -0.601 7.279 1.00 0.00 H new ATOM 0 HD22 LEU C 24 5.551 -2.154 6.484 1.00 0.00 H new ATOM 0 HD23 LEU C 24 6.770 -0.857 6.479 1.00 0.00 H new ATOM 1904 N ILE C 25 4.281 -2.722 1.786 1.00 0.00 N ATOM 1905 CA ILE C 25 3.086 -2.936 0.923 1.00 0.00 C ATOM 1906 C ILE C 25 2.645 -4.398 1.014 1.00 0.00 C ATOM 1907 O ILE C 25 1.473 -4.700 1.128 1.00 0.00 O ATOM 1908 CB ILE C 25 3.551 -2.581 -0.493 1.00 0.00 C ATOM 1909 CG1 ILE C 25 2.346 -2.166 -1.338 1.00 0.00 C ATOM 1910 CG2 ILE C 25 4.241 -3.779 -1.151 1.00 0.00 C ATOM 1911 CD1 ILE C 25 2.564 -0.745 -1.855 1.00 0.00 C ATOM 0 H ILE C 25 5.126 -2.430 1.295 1.00 0.00 H new ATOM 0 HA ILE C 25 2.231 -2.329 1.221 1.00 0.00 H new ATOM 0 HB ILE C 25 4.262 -1.757 -0.429 1.00 0.00 H new ATOM 0 HG12 ILE C 25 2.217 -2.854 -2.173 1.00 0.00 H new ATOM 0 HG13 ILE C 25 1.434 -2.214 -0.742 1.00 0.00 H new ATOM 0 HG21 ILE C 25 4.564 -3.506 -2.156 1.00 0.00 H new ATOM 0 HG22 ILE C 25 5.108 -4.070 -0.558 1.00 0.00 H new ATOM 0 HG23 ILE C 25 3.543 -4.614 -1.208 1.00 0.00 H new ATOM 0 HD11 ILE C 25 1.708 -0.442 -2.459 1.00 0.00 H new ATOM 0 HD12 ILE C 25 2.672 -0.063 -1.011 1.00 0.00 H new ATOM 0 HD13 ILE C 25 3.467 -0.714 -2.464 1.00 0.00 H new ATOM 1923 N ASN C 26 3.580 -5.310 0.975 1.00 0.00 N ATOM 1924 CA ASN C 26 3.210 -6.749 1.073 1.00 0.00 C ATOM 1925 C ASN C 26 2.494 -6.992 2.399 1.00 0.00 C ATOM 1926 O ASN C 26 1.528 -7.727 2.479 1.00 0.00 O ATOM 1927 CB ASN C 26 4.538 -7.508 1.030 1.00 0.00 C ATOM 1928 CG ASN C 26 4.306 -8.906 0.453 1.00 0.00 C ATOM 1929 OD1 ASN C 26 3.207 -9.237 0.057 1.00 0.00 O ATOM 1930 ND2 ASN C 26 5.302 -9.747 0.390 1.00 0.00 N ATOM 0 H ASN C 26 4.578 -5.121 0.880 1.00 0.00 H new ATOM 0 HA ASN C 26 2.542 -7.070 0.274 1.00 0.00 H new ATOM 0 HB2 ASN C 26 5.260 -6.966 0.419 1.00 0.00 H new ATOM 0 HB3 ASN C 26 4.960 -7.582 2.032 1.00 0.00 H new ATOM 0 HD21 ASN C 26 5.157 -10.682 0.008 1.00 0.00 H new ATOM 0 HD22 ASN C 26 6.226 -9.470 0.722 1.00 0.00 H new ATOM 1937 N THR C 27 2.959 -6.361 3.437 1.00 0.00 N ATOM 1938 CA THR C 27 2.317 -6.524 4.770 1.00 0.00 C ATOM 1939 C THR C 27 0.894 -5.967 4.736 1.00 0.00 C ATOM 1940 O THR C 27 0.013 -6.446 5.419 1.00 0.00 O ATOM 1941 CB THR C 27 3.186 -5.702 5.715 1.00 0.00 C ATOM 1942 OG1 THR C 27 4.421 -6.376 5.924 1.00 0.00 O ATOM 1943 CG2 THR C 27 2.457 -5.513 7.047 1.00 0.00 C ATOM 0 H THR C 27 3.763 -5.734 3.420 1.00 0.00 H new ATOM 0 HA THR C 27 2.245 -7.567 5.077 1.00 0.00 H new ATOM 0 HB THR C 27 3.382 -4.723 5.278 1.00 0.00 H new ATOM 0 HG1 THR C 27 5.049 -6.137 5.210 1.00 0.00 H new ATOM 0 HG21 THR C 27 3.079 -4.925 7.722 1.00 0.00 H new ATOM 0 HG22 THR C 27 1.515 -4.992 6.876 1.00 0.00 H new ATOM 0 HG23 THR C 27 2.257 -6.487 7.494 1.00 0.00 H new ATOM 1951 N LEU C 28 0.664 -4.960 3.938 1.00 0.00 N ATOM 1952 CA LEU C 28 -0.707 -4.379 3.853 1.00 0.00 C ATOM 1953 C LEU C 28 -1.631 -5.377 3.161 1.00 0.00 C ATOM 1954 O LEU C 28 -2.732 -5.633 3.604 1.00 0.00 O ATOM 1955 CB LEU C 28 -0.559 -3.111 3.010 1.00 0.00 C ATOM 1956 CG LEU C 28 0.010 -1.985 3.872 1.00 0.00 C ATOM 1957 CD1 LEU C 28 0.948 -1.121 3.030 1.00 0.00 C ATOM 1958 CD2 LEU C 28 -1.137 -1.121 4.400 1.00 0.00 C ATOM 0 H LEU C 28 1.363 -4.515 3.343 1.00 0.00 H new ATOM 0 HA LEU C 28 -1.131 -4.157 4.832 1.00 0.00 H new ATOM 0 HB2 LEU C 28 0.099 -3.301 2.162 1.00 0.00 H new ATOM 0 HB3 LEU C 28 -1.527 -2.818 2.603 1.00 0.00 H new ATOM 0 HG LEU C 28 0.562 -2.412 4.709 1.00 0.00 H new ATOM 0 HD11 LEU C 28 1.354 -0.318 3.645 1.00 0.00 H new ATOM 0 HD12 LEU C 28 1.765 -1.735 2.650 1.00 0.00 H new ATOM 0 HD13 LEU C 28 0.396 -0.693 2.193 1.00 0.00 H new ATOM 0 HD21 LEU C 28 -0.733 -0.317 5.015 1.00 0.00 H new ATOM 0 HD22 LEU C 28 -1.687 -0.695 3.561 1.00 0.00 H new ATOM 0 HD23 LEU C 28 -1.809 -1.735 5.000 1.00 0.00 H new ATOM 1970 N GLN C 29 -1.175 -5.960 2.088 1.00 0.00 N ATOM 1971 CA GLN C 29 -2.007 -6.963 1.375 1.00 0.00 C ATOM 1972 C GLN C 29 -2.137 -8.207 2.253 1.00 0.00 C ATOM 1973 O GLN C 29 -2.994 -9.043 2.051 1.00 0.00 O ATOM 1974 CB GLN C 29 -1.226 -7.276 0.102 1.00 0.00 C ATOM 1975 CG GLN C 29 -2.195 -7.709 -1.000 1.00 0.00 C ATOM 1976 CD GLN C 29 -2.582 -9.175 -0.797 1.00 0.00 C ATOM 1977 OE1 GLN C 29 -3.733 -9.484 -0.560 1.00 0.00 O ATOM 1978 NE2 GLN C 29 -1.662 -10.097 -0.881 1.00 0.00 N ATOM 0 H GLN C 29 -0.259 -5.783 1.675 1.00 0.00 H new ATOM 0 HA GLN C 29 -3.014 -6.612 1.150 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -0.665 -6.398 -0.218 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -0.500 -8.066 0.293 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -3.086 -7.081 -0.982 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -1.732 -7.577 -1.978 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -0.696 -9.837 -1.080 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -1.909 -11.078 -0.748 1.00 0.00 H new ATOM 1987 N GLN C 30 -1.289 -8.319 3.238 1.00 0.00 N ATOM 1988 CA GLN C 30 -1.348 -9.491 4.155 1.00 0.00 C ATOM 1989 C GLN C 30 -2.470 -9.282 5.169 1.00 0.00 C ATOM 1990 O GLN C 30 -3.345 -10.111 5.330 1.00 0.00 O ATOM 1991 CB GLN C 30 0.012 -9.514 4.849 1.00 0.00 C ATOM 1992 CG GLN C 30 1.053 -10.098 3.898 1.00 0.00 C ATOM 1993 CD GLN C 30 1.528 -11.453 4.425 1.00 0.00 C ATOM 1994 OE1 GLN C 30 2.671 -11.602 4.811 1.00 0.00 O ATOM 1995 NE2 GLN C 30 0.692 -12.455 4.461 1.00 0.00 N ATOM 0 H GLN C 30 -0.553 -7.644 3.448 1.00 0.00 H new ATOM 0 HA GLN C 30 -1.549 -10.428 3.636 1.00 0.00 H new ATOM 0 HB2 GLN C 30 0.299 -8.505 5.146 1.00 0.00 H new ATOM 0 HB3 GLN C 30 -0.041 -10.111 5.759 1.00 0.00 H new ATOM 0 HG2 GLN C 30 0.626 -10.214 2.902 1.00 0.00 H new ATOM 0 HG3 GLN C 30 1.898 -9.416 3.805 1.00 0.00 H new ATOM 0 HE21 GLN C 30 -0.267 -12.331 4.137 1.00 0.00 H new ATOM 0 HE22 GLN C 30 0.998 -13.362 4.813 1.00 0.00 H new ATOM 2004 N LYS C 31 -2.461 -8.166 5.840 1.00 0.00 N ATOM 2005 CA LYS C 31 -3.541 -7.891 6.827 1.00 0.00 C ATOM 2006 C LYS C 31 -4.857 -7.699 6.076 1.00 0.00 C ATOM 2007 O LYS C 31 -5.928 -7.789 6.640 1.00 0.00 O ATOM 2008 CB LYS C 31 -3.124 -6.605 7.540 1.00 0.00 C ATOM 2009 CG LYS C 31 -2.457 -6.958 8.871 1.00 0.00 C ATOM 2010 CD LYS C 31 -1.768 -5.718 9.443 1.00 0.00 C ATOM 2011 CE LYS C 31 -0.802 -6.141 10.555 1.00 0.00 C ATOM 2012 NZ LYS C 31 0.477 -6.452 9.856 1.00 0.00 N ATOM 0 H LYS C 31 -1.756 -7.435 5.749 1.00 0.00 H new ATOM 0 HA LYS C 31 -3.683 -8.702 7.541 1.00 0.00 H new ATOM 0 HB2 LYS C 31 -2.436 -6.036 6.915 1.00 0.00 H new ATOM 0 HB3 LYS C 31 -3.995 -5.973 7.713 1.00 0.00 H new ATOM 0 HG2 LYS C 31 -3.201 -7.330 9.575 1.00 0.00 H new ATOM 0 HG3 LYS C 31 -1.729 -7.756 8.724 1.00 0.00 H new ATOM 0 HD2 LYS C 31 -1.227 -5.193 8.656 1.00 0.00 H new ATOM 0 HD3 LYS C 31 -2.511 -5.024 9.836 1.00 0.00 H new ATOM 0 HE2 LYS C 31 -0.669 -5.344 11.286 1.00 0.00 H new ATOM 0 HE3 LYS C 31 -1.178 -7.010 11.095 1.00 0.00 H new ATOM 0 HZ1 LYS C 31 1.128 -6.924 10.516 1.00 0.00 H new ATOM 0 HZ2 LYS C 31 0.288 -7.080 9.049 1.00 0.00 H new ATOM 0 HZ3 LYS C 31 0.909 -5.570 9.515 1.00 0.00 H new ATOM 2026 N LEU C 32 -4.775 -7.451 4.798 1.00 0.00 N ATOM 2027 CA LEU C 32 -6.010 -7.269 3.990 1.00 0.00 C ATOM 2028 C LEU C 32 -6.598 -8.640 3.655 1.00 0.00 C ATOM 2029 O LEU C 32 -7.783 -8.871 3.798 1.00 0.00 O ATOM 2030 CB LEU C 32 -5.547 -6.555 2.718 1.00 0.00 C ATOM 2031 CG LEU C 32 -6.712 -5.772 2.112 1.00 0.00 C ATOM 2032 CD1 LEU C 32 -7.321 -4.855 3.174 1.00 0.00 C ATOM 2033 CD2 LEU C 32 -6.201 -4.924 0.945 1.00 0.00 C ATOM 0 H LEU C 32 -3.902 -7.367 4.278 1.00 0.00 H new ATOM 0 HA LEU C 32 -6.780 -6.701 4.511 1.00 0.00 H new ATOM 0 HB2 LEU C 32 -4.723 -5.879 2.948 1.00 0.00 H new ATOM 0 HB3 LEU C 32 -5.171 -7.282 1.998 1.00 0.00 H new ATOM 0 HG LEU C 32 -7.470 -6.469 1.755 1.00 0.00 H new ATOM 0 HD11 LEU C 32 -8.151 -4.297 2.741 1.00 0.00 H new ATOM 0 HD12 LEU C 32 -7.683 -5.455 4.009 1.00 0.00 H new ATOM 0 HD13 LEU C 32 -6.563 -4.158 3.531 1.00 0.00 H new ATOM 0 HD21 LEU C 32 -7.030 -4.365 0.511 1.00 0.00 H new ATOM 0 HD22 LEU C 32 -5.443 -4.228 1.305 1.00 0.00 H new ATOM 0 HD23 LEU C 32 -5.765 -5.574 0.186 1.00 0.00 H new ATOM 2045 N GLU C 33 -5.773 -9.556 3.222 1.00 0.00 N ATOM 2046 CA GLU C 33 -6.280 -10.916 2.893 1.00 0.00 C ATOM 2047 C GLU C 33 -6.690 -11.628 4.182 1.00 0.00 C ATOM 2048 O GLU C 33 -7.425 -12.596 4.166 1.00 0.00 O ATOM 2049 CB GLU C 33 -5.108 -11.634 2.222 1.00 0.00 C ATOM 2050 CG GLU C 33 -5.509 -13.073 1.898 1.00 0.00 C ATOM 2051 CD GLU C 33 -5.584 -13.251 0.382 1.00 0.00 C ATOM 2052 OE1 GLU C 33 -6.278 -12.473 -0.252 1.00 0.00 O ATOM 2053 OE2 GLU C 33 -4.944 -14.160 -0.121 1.00 0.00 O ATOM 0 H GLU C 33 -4.772 -9.420 3.083 1.00 0.00 H new ATOM 0 HA GLU C 33 -7.154 -10.894 2.241 1.00 0.00 H new ATOM 0 HB2 GLU C 33 -4.822 -11.111 1.310 1.00 0.00 H new ATOM 0 HB3 GLU C 33 -4.239 -11.627 2.880 1.00 0.00 H new ATOM 0 HG2 GLU C 33 -4.784 -13.768 2.321 1.00 0.00 H new ATOM 0 HG3 GLU C 33 -6.473 -13.304 2.350 1.00 0.00 H new ATOM 2060 N ALA C 34 -6.238 -11.132 5.301 1.00 0.00 N ATOM 2061 CA ALA C 34 -6.617 -11.745 6.602 1.00 0.00 C ATOM 2062 C ALA C 34 -7.879 -11.053 7.100 1.00 0.00 C ATOM 2063 O ALA C 34 -8.740 -11.652 7.714 1.00 0.00 O ATOM 2064 CB ALA C 34 -5.438 -11.476 7.539 1.00 0.00 C ATOM 0 H ALA C 34 -5.619 -10.324 5.369 1.00 0.00 H new ATOM 0 HA ALA C 34 -6.819 -12.814 6.536 1.00 0.00 H new ATOM 0 HB1 ALA C 34 -5.649 -11.901 8.520 1.00 0.00 H new ATOM 0 HB2 ALA C 34 -4.537 -11.934 7.131 1.00 0.00 H new ATOM 0 HB3 ALA C 34 -5.287 -10.401 7.635 1.00 0.00 H new ATOM 2070 N VAL C 35 -7.996 -9.788 6.804 1.00 0.00 N ATOM 2071 CA VAL C 35 -9.203 -9.027 7.211 1.00 0.00 C ATOM 2072 C VAL C 35 -10.411 -9.617 6.482 1.00 0.00 C ATOM 2073 O VAL C 35 -11.495 -9.703 7.023 1.00 0.00 O ATOM 2074 CB VAL C 35 -8.916 -7.587 6.761 1.00 0.00 C ATOM 2075 CG1 VAL C 35 -10.201 -6.905 6.294 1.00 0.00 C ATOM 2076 CG2 VAL C 35 -8.322 -6.797 7.928 1.00 0.00 C ATOM 0 H VAL C 35 -7.299 -9.247 6.293 1.00 0.00 H new ATOM 0 HA VAL C 35 -9.418 -9.067 8.279 1.00 0.00 H new ATOM 0 HB VAL C 35 -8.209 -7.615 5.932 1.00 0.00 H new ATOM 0 HG11 VAL C 35 -9.978 -5.886 5.979 1.00 0.00 H new ATOM 0 HG12 VAL C 35 -10.623 -7.460 5.456 1.00 0.00 H new ATOM 0 HG13 VAL C 35 -10.920 -6.883 7.113 1.00 0.00 H new ATOM 0 HG21 VAL C 35 -8.118 -5.775 7.609 1.00 0.00 H new ATOM 0 HG22 VAL C 35 -9.030 -6.784 8.757 1.00 0.00 H new ATOM 0 HG23 VAL C 35 -7.394 -7.268 8.251 1.00 0.00 H new ATOM 2086 N ALA C 36 -10.223 -10.039 5.260 1.00 0.00 N ATOM 2087 CA ALA C 36 -11.352 -10.644 4.506 1.00 0.00 C ATOM 2088 C ALA C 36 -11.675 -12.005 5.115 1.00 0.00 C ATOM 2089 O ALA C 36 -12.787 -12.487 5.044 1.00 0.00 O ATOM 2090 CB ALA C 36 -10.844 -10.799 3.074 1.00 0.00 C ATOM 0 H ALA C 36 -9.338 -9.990 4.755 1.00 0.00 H new ATOM 0 HA ALA C 36 -12.259 -10.040 4.538 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -11.626 -11.241 2.456 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -10.576 -9.821 2.675 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -9.967 -11.446 3.067 1.00 0.00 H new ATOM 2096 N LYS C 37 -10.700 -12.621 5.728 1.00 0.00 N ATOM 2097 CA LYS C 37 -10.945 -13.947 6.362 1.00 0.00 C ATOM 2098 C LYS C 37 -11.723 -13.749 7.660 1.00 0.00 C ATOM 2099 O LYS C 37 -12.524 -14.575 8.049 1.00 0.00 O ATOM 2100 CB LYS C 37 -9.555 -14.522 6.642 1.00 0.00 C ATOM 2101 CG LYS C 37 -9.368 -15.819 5.852 1.00 0.00 C ATOM 2102 CD LYS C 37 -7.930 -15.899 5.331 1.00 0.00 C ATOM 2103 CE LYS C 37 -7.576 -17.359 5.032 1.00 0.00 C ATOM 2104 NZ LYS C 37 -6.099 -17.364 4.839 1.00 0.00 N ATOM 0 H LYS C 37 -9.748 -12.265 5.817 1.00 0.00 H new ATOM 0 HA LYS C 37 -11.530 -14.616 5.730 1.00 0.00 H new ATOM 0 HB2 LYS C 37 -8.788 -13.800 6.362 1.00 0.00 H new ATOM 0 HB3 LYS C 37 -9.438 -14.714 7.709 1.00 0.00 H new ATOM 0 HG2 LYS C 37 -9.584 -16.678 6.487 1.00 0.00 H new ATOM 0 HG3 LYS C 37 -10.070 -15.854 5.019 1.00 0.00 H new ATOM 0 HD2 LYS C 37 -7.825 -15.296 4.429 1.00 0.00 H new ATOM 0 HD3 LYS C 37 -7.241 -15.490 6.070 1.00 0.00 H new ATOM 0 HE2 LYS C 37 -7.869 -18.013 5.853 1.00 0.00 H new ATOM 0 HE3 LYS C 37 -8.092 -17.716 4.141 1.00 0.00 H new ATOM 0 HZ1 LYS C 37 -5.779 -18.331 4.630 1.00 0.00 H new ATOM 0 HZ2 LYS C 37 -5.850 -16.738 4.046 1.00 0.00 H new ATOM 0 HZ3 LYS C 37 -5.634 -17.026 5.706 1.00 0.00 H new ATOM 2118 N ARG C 38 -11.508 -12.647 8.320 1.00 0.00 N ATOM 2119 CA ARG C 38 -12.250 -12.379 9.579 1.00 0.00 C ATOM 2120 C ARG C 38 -13.674 -11.954 9.227 1.00 0.00 C ATOM 2121 O ARG C 38 -14.627 -12.327 9.881 1.00 0.00 O ATOM 2122 CB ARG C 38 -11.484 -11.241 10.254 1.00 0.00 C ATOM 2123 CG ARG C 38 -9.999 -11.604 10.331 1.00 0.00 C ATOM 2124 CD ARG C 38 -9.616 -11.890 11.785 1.00 0.00 C ATOM 2125 NE ARG C 38 -8.881 -10.673 12.231 1.00 0.00 N ATOM 2126 CZ ARG C 38 -8.793 -10.389 13.502 1.00 0.00 C ATOM 2127 NH1 ARG C 38 -8.188 -11.210 14.315 1.00 0.00 N ATOM 2128 NH2 ARG C 38 -9.308 -9.282 13.960 1.00 0.00 N ATOM 0 H ARG C 38 -10.849 -11.920 8.041 1.00 0.00 H new ATOM 0 HA ARG C 38 -12.320 -13.247 10.235 1.00 0.00 H new ATOM 0 HB2 ARG C 38 -11.615 -10.316 9.692 1.00 0.00 H new ATOM 0 HB3 ARG C 38 -11.879 -11.065 11.254 1.00 0.00 H new ATOM 0 HG2 ARG C 38 -9.795 -12.478 9.712 1.00 0.00 H new ATOM 0 HG3 ARG C 38 -9.394 -10.787 9.939 1.00 0.00 H new ATOM 0 HD2 ARG C 38 -10.499 -12.066 12.399 1.00 0.00 H new ATOM 0 HD3 ARG C 38 -8.991 -12.780 11.862 1.00 0.00 H new ATOM 0 HE ARG C 38 -8.446 -10.060 11.541 1.00 0.00 H new ATOM 0 HH11 ARG C 38 -7.783 -12.075 13.958 1.00 0.00 H new ATOM 0 HH12 ARG C 38 -8.120 -10.987 15.308 1.00 0.00 H new ATOM 0 HH21 ARG C 38 -9.780 -8.638 13.325 1.00 0.00 H new ATOM 0 HH22 ARG C 38 -9.239 -9.060 14.953 1.00 0.00 H new ATOM 2142 N ILE C 39 -13.821 -11.199 8.174 1.00 0.00 N ATOM 2143 CA ILE C 39 -15.181 -10.773 7.749 1.00 0.00 C ATOM 2144 C ILE C 39 -16.013 -12.017 7.467 1.00 0.00 C ATOM 2145 O ILE C 39 -17.147 -12.127 7.885 1.00 0.00 O ATOM 2146 CB ILE C 39 -14.963 -9.958 6.471 1.00 0.00 C ATOM 2147 CG1 ILE C 39 -14.516 -8.539 6.843 1.00 0.00 C ATOM 2148 CG2 ILE C 39 -16.265 -9.900 5.665 1.00 0.00 C ATOM 2149 CD1 ILE C 39 -15.725 -7.695 7.259 1.00 0.00 C ATOM 0 H ILE C 39 -13.057 -10.859 7.590 1.00 0.00 H new ATOM 0 HA ILE C 39 -15.706 -10.186 8.503 1.00 0.00 H new ATOM 0 HB ILE C 39 -14.192 -10.432 5.864 1.00 0.00 H new ATOM 0 HG12 ILE C 39 -13.794 -8.579 7.658 1.00 0.00 H new ATOM 0 HG13 ILE C 39 -14.013 -8.074 5.995 1.00 0.00 H new ATOM 0 HG21 ILE C 39 -16.105 -9.319 4.757 1.00 0.00 H new ATOM 0 HG22 ILE C 39 -16.574 -10.911 5.400 1.00 0.00 H new ATOM 0 HG23 ILE C 39 -17.044 -9.429 6.265 1.00 0.00 H new ATOM 0 HD11 ILE C 39 -15.394 -6.690 7.521 1.00 0.00 H new ATOM 0 HD12 ILE C 39 -16.433 -7.640 6.432 1.00 0.00 H new ATOM 0 HD13 ILE C 39 -16.209 -8.153 8.121 1.00 0.00 H new ATOM 2161 N GLU C 40 -15.441 -12.970 6.782 1.00 0.00 N ATOM 2162 CA GLU C 40 -16.187 -14.222 6.501 1.00 0.00 C ATOM 2163 C GLU C 40 -16.499 -14.902 7.828 1.00 0.00 C ATOM 2164 O GLU C 40 -17.545 -15.494 8.009 1.00 0.00 O ATOM 2165 CB GLU C 40 -15.239 -15.082 5.663 1.00 0.00 C ATOM 2166 CG GLU C 40 -14.774 -14.289 4.442 1.00 0.00 C ATOM 2167 CD GLU C 40 -15.382 -14.900 3.178 1.00 0.00 C ATOM 2168 OE1 GLU C 40 -15.535 -16.110 3.144 1.00 0.00 O ATOM 2169 OE2 GLU C 40 -15.682 -14.149 2.265 1.00 0.00 O ATOM 0 H GLU C 40 -14.493 -12.933 6.408 1.00 0.00 H new ATOM 0 HA GLU C 40 -17.127 -14.053 5.976 1.00 0.00 H new ATOM 0 HB2 GLU C 40 -14.380 -15.384 6.262 1.00 0.00 H new ATOM 0 HB3 GLU C 40 -15.744 -15.995 5.346 1.00 0.00 H new ATOM 0 HG2 GLU C 40 -15.075 -13.246 4.536 1.00 0.00 H new ATOM 0 HG3 GLU C 40 -13.686 -14.302 4.379 1.00 0.00 H new ATOM 2176 N ALA C 41 -15.599 -14.798 8.771 1.00 0.00 N ATOM 2177 CA ALA C 41 -15.846 -15.415 10.102 1.00 0.00 C ATOM 2178 C ALA C 41 -17.149 -14.856 10.670 1.00 0.00 C ATOM 2179 O ALA C 41 -17.907 -15.544 11.324 1.00 0.00 O ATOM 2180 CB ALA C 41 -14.656 -14.991 10.965 1.00 0.00 C ATOM 0 H ALA C 41 -14.707 -14.313 8.675 1.00 0.00 H new ATOM 0 HA ALA C 41 -15.939 -16.500 10.060 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -14.765 -15.408 11.966 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -13.733 -15.359 10.517 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -14.621 -13.903 11.027 1.00 0.00 H new ATOM 2186 N LEU C 42 -17.416 -13.608 10.399 1.00 0.00 N ATOM 2187 CA LEU C 42 -18.672 -12.983 10.893 1.00 0.00 C ATOM 2188 C LEU C 42 -19.809 -13.319 9.935 1.00 0.00 C ATOM 2189 O LEU C 42 -20.961 -13.339 10.312 1.00 0.00 O ATOM 2190 CB LEU C 42 -18.403 -11.473 10.895 1.00 0.00 C ATOM 2191 CG LEU C 42 -17.422 -11.074 12.015 1.00 0.00 C ATOM 2192 CD1 LEU C 42 -17.306 -12.170 13.083 1.00 0.00 C ATOM 2193 CD2 LEU C 42 -16.049 -10.824 11.399 1.00 0.00 C ATOM 0 H LEU C 42 -16.813 -12.992 9.853 1.00 0.00 H new ATOM 0 HA LEU C 42 -18.955 -13.338 11.884 1.00 0.00 H new ATOM 0 HB2 LEU C 42 -17.995 -11.174 9.929 1.00 0.00 H new ATOM 0 HB3 LEU C 42 -19.342 -10.935 11.024 1.00 0.00 H new ATOM 0 HG LEU C 42 -17.800 -10.173 12.499 1.00 0.00 H new ATOM 0 HD11 LEU C 42 -16.606 -11.852 13.856 1.00 0.00 H new ATOM 0 HD12 LEU C 42 -18.284 -12.347 13.530 1.00 0.00 H new ATOM 0 HD13 LEU C 42 -16.946 -13.090 12.623 1.00 0.00 H new ATOM 0 HD21 LEU C 42 -15.345 -10.541 12.182 1.00 0.00 H new ATOM 0 HD22 LEU C 42 -15.700 -11.732 10.908 1.00 0.00 H new ATOM 0 HD23 LEU C 42 -16.120 -10.020 10.666 1.00 0.00 H new ATOM 2205 N GLU C 43 -19.493 -13.596 8.700 1.00 0.00 N ATOM 2206 CA GLU C 43 -20.557 -13.949 7.725 1.00 0.00 C ATOM 2207 C GLU C 43 -21.041 -15.366 8.011 1.00 0.00 C ATOM 2208 O GLU C 43 -22.116 -15.765 7.618 1.00 0.00 O ATOM 2209 CB GLU C 43 -19.885 -13.863 6.359 1.00 0.00 C ATOM 2210 CG GLU C 43 -19.389 -12.436 6.145 1.00 0.00 C ATOM 2211 CD GLU C 43 -19.859 -11.926 4.782 1.00 0.00 C ATOM 2212 OE1 GLU C 43 -19.692 -12.645 3.811 1.00 0.00 O ATOM 2213 OE2 GLU C 43 -20.379 -10.824 4.732 1.00 0.00 O ATOM 0 H GLU C 43 -18.544 -13.593 8.326 1.00 0.00 H new ATOM 0 HA GLU C 43 -21.425 -13.292 7.779 1.00 0.00 H new ATOM 0 HB2 GLU C 43 -19.053 -14.564 6.303 1.00 0.00 H new ATOM 0 HB3 GLU C 43 -20.589 -14.140 5.574 1.00 0.00 H new ATOM 0 HG2 GLU C 43 -19.765 -11.787 6.936 1.00 0.00 H new ATOM 0 HG3 GLU C 43 -18.301 -12.407 6.199 1.00 0.00 H new