USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 372 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 44 THR OG1 : rot 180:sc=-0.000793 USER MOD Single : A 50 LYS NZ :NH3+ 152:sc= 0.26 (180deg=-0.661!) USER MOD Single : A 52 LYS NZ :NH3+ -158:sc= 1.23 (180deg=1.08) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.0441 K(o=-0.044,f=-0.9) USER MOD Single : A 58 ASN : amide:sc= 0.935 K(o=0.93,f=0) USER MOD Single : A 60 THR OG1 : rot 56:sc= 0.0669 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0.954 K(o=0.95,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.295 X(o=-0.29,f=-0.19) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0521 USER MOD Single : A 77 GLN : amide:sc= -0.09 K(o=-0.09,f=-3.1!) USER MOD Single : A 78 CYS SG : rot 84:sc= 0.102 USER MOD Single : A 79 GLN : amide:sc= 0.0417 X(o=0.042,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.045) USER MOD Single : A 83 GLN : amide:sc= -0.0769 K(o=-0.077,f=-1.3!) USER MOD Single : A 84 LYS NZ :NH3+ -170:sc=-0.00219 (180deg=-0.163) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.405 -9.465 -12.928 1.00 0.00 N ATOM 90 CA TRP A 43 14.448 -9.169 -13.900 1.00 0.00 C ATOM 91 C TRP A 43 13.910 -9.360 -15.318 1.00 0.00 C ATOM 92 O TRP A 43 12.791 -9.840 -15.502 1.00 0.00 O ATOM 93 CB TRP A 43 15.640 -10.093 -13.636 1.00 0.00 C ATOM 94 CG TRP A 43 16.543 -9.640 -12.530 1.00 0.00 C ATOM 95 CD1 TRP A 43 16.269 -9.695 -11.214 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.874 -9.052 -12.623 1.00 0.00 C ATOM 97 NE1 TRP A 43 17.313 -9.191 -10.474 1.00 0.00 N ATOM 98 CE2 TRP A 43 18.341 -8.773 -11.299 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.741 -8.724 -13.689 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.591 -8.197 -11.052 1.00 0.00 C ATOM 101 CZ3 TRP A 43 20.001 -8.139 -13.445 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.424 -7.875 -12.130 1.00 0.00 C ATOM 0 HA TRP A 43 14.770 -8.132 -13.802 1.00 0.00 H new ATOM 0 HB2 TRP A 43 15.266 -11.089 -13.398 1.00 0.00 H new ATOM 0 HB3 TRP A 43 16.224 -10.182 -14.552 1.00 0.00 H new ATOM 0 HD1 TRP A 43 15.352 -10.083 -10.795 1.00 0.00 H new ATOM 0 HE1 TRP A 43 17.327 -9.133 -9.456 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.435 -8.924 -14.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.911 -8.002 -10.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.646 -7.892 -14.275 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.389 -7.425 -11.952 1.00 0.00 H new ATOM 113 N THR A 44 14.716 -8.981 -16.319 1.00 0.00 N ATOM 114 CA THR A 44 14.339 -9.108 -17.719 1.00 0.00 C ATOM 115 C THR A 44 15.587 -9.390 -18.557 1.00 0.00 C ATOM 116 O THR A 44 16.701 -9.095 -18.130 1.00 0.00 O ATOM 117 CB THR A 44 13.626 -7.826 -18.183 1.00 0.00 C ATOM 118 OG1 THR A 44 13.244 -7.962 -19.535 1.00 0.00 O ATOM 119 CG2 THR A 44 14.553 -6.614 -18.037 1.00 0.00 C ATOM 0 H THR A 44 15.643 -8.580 -16.174 1.00 0.00 H new ATOM 0 HA THR A 44 13.647 -9.941 -17.846 1.00 0.00 H new ATOM 0 HB THR A 44 12.743 -7.672 -17.562 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.788 -7.146 -19.830 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.033 -5.716 -18.370 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.841 -6.500 -16.992 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.445 -6.763 -18.645 1.00 0.00 H new ATOM 127 N ARG A 45 15.387 -9.969 -19.750 1.00 0.00 N ATOM 128 CA ARG A 45 16.479 -10.335 -20.647 1.00 0.00 C ATOM 129 C ARG A 45 17.431 -9.155 -20.862 1.00 0.00 C ATOM 130 O ARG A 45 18.644 -9.323 -20.788 1.00 0.00 O ATOM 131 CB ARG A 45 15.883 -10.808 -21.982 1.00 0.00 C ATOM 132 CG ARG A 45 16.995 -11.140 -22.995 1.00 0.00 C ATOM 133 CD ARG A 45 17.943 -12.214 -22.437 1.00 0.00 C ATOM 134 NE ARG A 45 17.200 -13.374 -21.918 1.00 0.00 N ATOM 135 CZ ARG A 45 16.655 -14.318 -22.708 1.00 0.00 C ATOM 136 NH1 ARG A 45 16.765 -14.233 -24.041 1.00 0.00 N ATOM 137 NH2 ARG A 45 15.999 -15.348 -22.158 1.00 0.00 N ATOM 0 H ARG A 45 14.462 -10.194 -20.115 1.00 0.00 H new ATOM 0 HA ARG A 45 17.060 -11.142 -20.201 1.00 0.00 H new ATOM 0 HB2 ARG A 45 15.262 -11.689 -21.816 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.234 -10.033 -22.390 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.551 -11.490 -23.927 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.559 -10.238 -23.230 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.627 -12.540 -23.221 1.00 0.00 H new ATOM 0 HD3 ARG A 45 18.552 -11.785 -21.641 1.00 0.00 H new ATOM 0 HE ARG A 45 17.093 -13.467 -20.908 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.264 -13.450 -24.463 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.350 -14.952 -24.634 1.00 0.00 H new ATOM 0 HH21 ARG A 45 15.914 -15.415 -21.144 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.585 -16.065 -22.753 1.00 0.00 H new ATOM 151 N GLU A 46 16.870 -7.969 -21.133 1.00 0.00 N ATOM 152 CA GLU A 46 17.652 -6.760 -21.387 1.00 0.00 C ATOM 153 C GLU A 46 18.692 -6.535 -20.277 1.00 0.00 C ATOM 154 O GLU A 46 19.796 -6.052 -20.543 1.00 0.00 O ATOM 155 CB GLU A 46 16.680 -5.570 -21.484 1.00 0.00 C ATOM 156 CG GLU A 46 17.314 -4.409 -22.269 1.00 0.00 C ATOM 157 CD GLU A 46 18.346 -3.654 -21.437 1.00 0.00 C ATOM 158 OE1 GLU A 46 18.114 -3.515 -20.217 1.00 0.00 O ATOM 159 OE2 GLU A 46 19.357 -3.225 -22.037 1.00 0.00 O ATOM 0 H GLU A 46 15.861 -7.825 -21.181 1.00 0.00 H new ATOM 0 HA GLU A 46 18.202 -6.864 -22.322 1.00 0.00 H new ATOM 0 HB2 GLU A 46 15.759 -5.886 -21.974 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.409 -5.233 -20.483 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.788 -4.797 -23.170 1.00 0.00 H new ATOM 0 HG3 GLU A 46 16.533 -3.720 -22.591 1.00 0.00 H new ATOM 166 N GLU A 47 18.336 -6.878 -19.035 1.00 0.00 N ATOM 167 CA GLU A 47 19.216 -6.683 -17.895 1.00 0.00 C ATOM 168 C GLU A 47 20.089 -7.924 -17.673 1.00 0.00 C ATOM 169 O GLU A 47 21.256 -7.798 -17.310 1.00 0.00 O ATOM 170 CB GLU A 47 18.364 -6.387 -16.656 1.00 0.00 C ATOM 171 CG GLU A 47 18.711 -5.002 -16.107 1.00 0.00 C ATOM 172 CD GLU A 47 17.829 -4.648 -14.917 1.00 0.00 C ATOM 173 OE1 GLU A 47 16.671 -5.119 -14.899 1.00 0.00 O ATOM 174 OE2 GLU A 47 18.327 -3.912 -14.041 1.00 0.00 O ATOM 0 H GLU A 47 17.435 -7.295 -18.800 1.00 0.00 H new ATOM 0 HA GLU A 47 19.881 -5.840 -18.085 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.305 -6.432 -16.912 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.540 -7.145 -15.893 1.00 0.00 H new ATOM 0 HG2 GLU A 47 19.759 -4.978 -15.807 1.00 0.00 H new ATOM 0 HG3 GLU A 47 18.587 -4.255 -16.891 1.00 0.00 H new ATOM 181 N ASP A 48 19.523 -9.120 -17.885 1.00 0.00 N ATOM 182 CA ASP A 48 20.247 -10.371 -17.679 1.00 0.00 C ATOM 183 C ASP A 48 21.457 -10.455 -18.609 1.00 0.00 C ATOM 184 O ASP A 48 22.546 -10.809 -18.167 1.00 0.00 O ATOM 185 CB ASP A 48 19.309 -11.559 -17.917 1.00 0.00 C ATOM 186 CG ASP A 48 18.289 -11.699 -16.792 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.704 -11.570 -15.619 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.107 -11.943 -17.118 1.00 0.00 O ATOM 0 H ASP A 48 18.561 -9.242 -18.201 1.00 0.00 H new ATOM 0 HA ASP A 48 20.607 -10.401 -16.650 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.790 -11.429 -18.867 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.894 -12.476 -17.996 1.00 0.00 H new ATOM 193 N GLU A 49 21.270 -10.134 -19.897 1.00 0.00 N ATOM 194 CA GLU A 49 22.361 -10.183 -20.866 1.00 0.00 C ATOM 195 C GLU A 49 23.453 -9.182 -20.476 1.00 0.00 C ATOM 196 O GLU A 49 24.629 -9.390 -20.775 1.00 0.00 O ATOM 197 CB GLU A 49 21.820 -9.899 -22.275 1.00 0.00 C ATOM 198 CG GLU A 49 21.395 -8.432 -22.406 1.00 0.00 C ATOM 199 CD GLU A 49 20.689 -8.192 -23.733 1.00 0.00 C ATOM 200 OE1 GLU A 49 19.571 -8.731 -23.887 1.00 0.00 O ATOM 201 OE2 GLU A 49 21.281 -7.477 -24.570 1.00 0.00 O ATOM 0 H GLU A 49 20.374 -9.839 -20.286 1.00 0.00 H new ATOM 0 HA GLU A 49 22.803 -11.179 -20.867 1.00 0.00 H new ATOM 0 HB2 GLU A 49 22.585 -10.129 -23.017 1.00 0.00 H new ATOM 0 HB3 GLU A 49 20.970 -10.549 -22.482 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.732 -8.165 -21.583 1.00 0.00 H new ATOM 0 HG3 GLU A 49 22.270 -7.787 -22.332 1.00 0.00 H new ATOM 208 N LYS A 50 23.058 -8.097 -19.803 1.00 0.00 N ATOM 209 CA LYS A 50 23.991 -7.081 -19.358 1.00 0.00 C ATOM 210 C LYS A 50 24.767 -7.604 -18.148 1.00 0.00 C ATOM 211 O LYS A 50 25.988 -7.459 -18.081 1.00 0.00 O ATOM 212 CB LYS A 50 23.205 -5.809 -19.024 1.00 0.00 C ATOM 213 CG LYS A 50 24.131 -4.591 -19.060 1.00 0.00 C ATOM 214 CD LYS A 50 23.310 -3.302 -18.893 1.00 0.00 C ATOM 215 CE LYS A 50 22.438 -3.052 -20.135 1.00 0.00 C ATOM 216 NZ LYS A 50 21.039 -3.473 -19.914 1.00 0.00 N ATOM 0 H LYS A 50 22.086 -7.907 -19.557 1.00 0.00 H new ATOM 0 HA LYS A 50 24.714 -6.844 -20.139 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.391 -5.678 -19.737 1.00 0.00 H new ATOM 0 HB3 LYS A 50 22.752 -5.901 -18.037 1.00 0.00 H new ATOM 0 HG2 LYS A 50 24.874 -4.665 -18.265 1.00 0.00 H new ATOM 0 HG3 LYS A 50 24.676 -4.566 -20.004 1.00 0.00 H new ATOM 0 HD2 LYS A 50 22.679 -3.379 -18.008 1.00 0.00 H new ATOM 0 HD3 LYS A 50 23.979 -2.456 -18.735 1.00 0.00 H new ATOM 0 HE2 LYS A 50 22.463 -1.993 -20.390 1.00 0.00 H new ATOM 0 HE3 LYS A 50 22.851 -3.595 -20.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.406 -2.902 -20.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.935 -4.477 -20.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.789 -3.337 -18.914 1.00 0.00 H new ATOM 230 N LEU A 51 24.051 -8.226 -17.196 1.00 0.00 N ATOM 231 CA LEU A 51 24.671 -8.797 -16.009 1.00 0.00 C ATOM 232 C LEU A 51 25.638 -9.904 -16.427 1.00 0.00 C ATOM 233 O LEU A 51 26.710 -10.030 -15.852 1.00 0.00 O ATOM 234 CB LEU A 51 23.580 -9.340 -15.069 1.00 0.00 C ATOM 235 CG LEU A 51 24.207 -9.916 -13.783 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.833 -8.795 -12.947 1.00 0.00 C ATOM 237 CD2 LEU A 51 23.126 -10.609 -12.952 1.00 0.00 C ATOM 0 H LEU A 51 23.038 -8.342 -17.235 1.00 0.00 H new ATOM 0 HA LEU A 51 25.232 -8.031 -15.474 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.883 -8.542 -14.814 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.006 -10.114 -15.578 1.00 0.00 H new ATOM 0 HG LEU A 51 24.980 -10.631 -14.063 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.271 -9.217 -12.043 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.609 -8.297 -13.529 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.064 -8.072 -12.674 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.570 -11.016 -12.044 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.353 -9.888 -12.687 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.683 -11.418 -13.533 1.00 0.00 H new ATOM 249 N LYS A 52 25.253 -10.697 -17.437 1.00 0.00 N ATOM 250 CA LYS A 52 26.092 -11.769 -17.957 1.00 0.00 C ATOM 251 C LYS A 52 27.490 -11.232 -18.244 1.00 0.00 C ATOM 252 O LYS A 52 28.463 -11.682 -17.650 1.00 0.00 O ATOM 253 CB LYS A 52 25.465 -12.323 -19.248 1.00 0.00 C ATOM 254 CG LYS A 52 24.630 -13.572 -18.948 1.00 0.00 C ATOM 255 CD LYS A 52 25.530 -14.816 -18.961 1.00 0.00 C ATOM 256 CE LYS A 52 25.761 -15.278 -20.406 1.00 0.00 C ATOM 257 NZ LYS A 52 26.736 -16.381 -20.461 1.00 0.00 N ATOM 0 H LYS A 52 24.354 -10.608 -17.910 1.00 0.00 H new ATOM 0 HA LYS A 52 26.165 -12.569 -17.220 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.837 -11.561 -19.710 1.00 0.00 H new ATOM 0 HB3 LYS A 52 26.250 -12.567 -19.964 1.00 0.00 H new ATOM 0 HG2 LYS A 52 24.146 -13.472 -17.976 1.00 0.00 H new ATOM 0 HG3 LYS A 52 23.838 -13.677 -19.689 1.00 0.00 H new ATOM 0 HD2 LYS A 52 26.484 -14.590 -18.485 1.00 0.00 H new ATOM 0 HD3 LYS A 52 25.067 -15.616 -18.384 1.00 0.00 H new ATOM 0 HE2 LYS A 52 24.816 -15.602 -20.843 1.00 0.00 H new ATOM 0 HE3 LYS A 52 26.120 -14.441 -21.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 27.153 -16.428 -21.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 27.487 -16.215 -19.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 26.257 -17.279 -20.248 1.00 0.00 H new ATOM 271 N LYS A 53 27.575 -10.268 -19.164 1.00 0.00 N ATOM 272 CA LYS A 53 28.841 -9.681 -19.566 1.00 0.00 C ATOM 273 C LYS A 53 29.607 -9.147 -18.352 1.00 0.00 C ATOM 274 O LYS A 53 30.785 -9.453 -18.182 1.00 0.00 O ATOM 275 CB LYS A 53 28.564 -8.561 -20.575 1.00 0.00 C ATOM 276 CG LYS A 53 29.875 -8.102 -21.222 1.00 0.00 C ATOM 277 CD LYS A 53 29.631 -6.859 -22.087 1.00 0.00 C ATOM 278 CE LYS A 53 28.699 -7.202 -23.256 1.00 0.00 C ATOM 279 NZ LYS A 53 28.626 -6.088 -24.219 1.00 0.00 N ATOM 0 H LYS A 53 26.765 -9.878 -19.646 1.00 0.00 H new ATOM 0 HA LYS A 53 29.465 -10.444 -20.031 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.874 -8.914 -21.342 1.00 0.00 H new ATOM 0 HB3 LYS A 53 28.082 -7.721 -20.075 1.00 0.00 H new ATOM 0 HG2 LYS A 53 30.611 -7.878 -20.450 1.00 0.00 H new ATOM 0 HG3 LYS A 53 30.288 -8.904 -21.833 1.00 0.00 H new ATOM 0 HD2 LYS A 53 29.191 -6.067 -21.482 1.00 0.00 H new ATOM 0 HD3 LYS A 53 30.579 -6.480 -22.468 1.00 0.00 H new ATOM 0 HE2 LYS A 53 29.057 -8.100 -23.760 1.00 0.00 H new ATOM 0 HE3 LYS A 53 27.702 -7.426 -22.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 27.989 -6.345 -25.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 28.262 -5.239 -23.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 29.575 -5.893 -24.596 1.00 0.00 H new ATOM 293 N LEU A 54 28.942 -8.343 -17.516 1.00 0.00 N ATOM 294 CA LEU A 54 29.581 -7.735 -16.354 1.00 0.00 C ATOM 295 C LEU A 54 30.189 -8.801 -15.437 1.00 0.00 C ATOM 296 O LEU A 54 31.354 -8.696 -15.064 1.00 0.00 O ATOM 297 CB LEU A 54 28.554 -6.891 -15.589 1.00 0.00 C ATOM 298 CG LEU A 54 28.229 -5.608 -16.372 1.00 0.00 C ATOM 299 CD1 LEU A 54 26.925 -5.008 -15.844 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.360 -4.588 -16.201 1.00 0.00 C ATOM 0 H LEU A 54 27.958 -8.100 -17.627 1.00 0.00 H new ATOM 0 HA LEU A 54 30.392 -7.093 -16.697 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.644 -7.469 -15.431 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.945 -6.635 -14.604 1.00 0.00 H new ATOM 0 HG LEU A 54 28.123 -5.853 -17.429 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.693 -4.098 -16.398 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.116 -5.727 -15.971 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.036 -4.770 -14.786 1.00 0.00 H new ATOM 0 HD21 LEU A 54 29.121 -3.683 -16.759 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.473 -4.344 -15.145 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.291 -5.011 -16.577 1.00 0.00 H new ATOM 312 N VAL A 55 29.403 -9.816 -15.067 1.00 0.00 N ATOM 313 CA VAL A 55 29.866 -10.866 -14.168 1.00 0.00 C ATOM 314 C VAL A 55 30.994 -11.669 -14.813 1.00 0.00 C ATOM 315 O VAL A 55 31.997 -11.944 -14.168 1.00 0.00 O ATOM 316 CB VAL A 55 28.692 -11.785 -13.799 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.211 -13.009 -13.037 1.00 0.00 C ATOM 318 CG2 VAL A 55 27.705 -11.028 -12.911 1.00 0.00 C ATOM 0 H VAL A 55 28.439 -9.929 -15.380 1.00 0.00 H new ATOM 0 HA VAL A 55 30.257 -10.407 -13.260 1.00 0.00 H new ATOM 0 HB VAL A 55 28.193 -12.107 -14.713 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.374 -13.658 -12.778 1.00 0.00 H new ATOM 0 HG12 VAL A 55 29.914 -13.557 -13.664 1.00 0.00 H new ATOM 0 HG13 VAL A 55 29.714 -12.684 -12.126 1.00 0.00 H new ATOM 0 HG21 VAL A 55 26.873 -11.683 -12.651 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.209 -10.703 -12.001 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.327 -10.157 -13.447 1.00 0.00 H new ATOM 328 N GLU A 56 30.827 -12.052 -16.078 1.00 0.00 N ATOM 329 CA GLU A 56 31.823 -12.852 -16.778 1.00 0.00 C ATOM 330 C GLU A 56 33.144 -12.083 -16.921 1.00 0.00 C ATOM 331 O GLU A 56 34.207 -12.698 -16.982 1.00 0.00 O ATOM 332 CB GLU A 56 31.262 -13.266 -18.143 1.00 0.00 C ATOM 333 CG GLU A 56 30.162 -14.320 -17.938 1.00 0.00 C ATOM 334 CD GLU A 56 29.431 -14.634 -19.239 1.00 0.00 C ATOM 335 OE1 GLU A 56 29.093 -13.670 -19.958 1.00 0.00 O ATOM 336 OE2 GLU A 56 29.215 -15.842 -19.490 1.00 0.00 O ATOM 0 H GLU A 56 30.007 -11.819 -16.638 1.00 0.00 H new ATOM 0 HA GLU A 56 32.041 -13.749 -16.199 1.00 0.00 H new ATOM 0 HB2 GLU A 56 30.858 -12.397 -18.662 1.00 0.00 H new ATOM 0 HB3 GLU A 56 32.057 -13.670 -18.769 1.00 0.00 H new ATOM 0 HG2 GLU A 56 30.603 -15.233 -17.539 1.00 0.00 H new ATOM 0 HG3 GLU A 56 29.448 -13.961 -17.197 1.00 0.00 H new ATOM 343 N GLN A 57 33.082 -10.743 -16.971 1.00 0.00 N ATOM 344 CA GLN A 57 34.278 -9.918 -17.103 1.00 0.00 C ATOM 345 C GLN A 57 34.905 -9.652 -15.730 1.00 0.00 C ATOM 346 O GLN A 57 36.047 -10.036 -15.486 1.00 0.00 O ATOM 347 CB GLN A 57 33.914 -8.597 -17.788 1.00 0.00 C ATOM 348 CG GLN A 57 33.736 -8.826 -19.293 1.00 0.00 C ATOM 349 CD GLN A 57 33.361 -7.529 -20.004 1.00 0.00 C ATOM 350 OE1 GLN A 57 32.738 -6.649 -19.415 1.00 0.00 O ATOM 351 NE2 GLN A 57 33.743 -7.411 -21.275 1.00 0.00 N ATOM 0 H GLN A 57 32.212 -10.214 -16.921 1.00 0.00 H new ATOM 0 HA GLN A 57 35.010 -10.449 -17.712 1.00 0.00 H new ATOM 0 HB2 GLN A 57 32.995 -8.196 -17.360 1.00 0.00 H new ATOM 0 HB3 GLN A 57 34.696 -7.858 -17.613 1.00 0.00 H new ATOM 0 HG2 GLN A 57 34.659 -9.223 -19.716 1.00 0.00 H new ATOM 0 HG3 GLN A 57 32.961 -9.574 -19.461 1.00 0.00 H new ATOM 0 HE21 GLN A 57 34.259 -8.167 -21.725 1.00 0.00 H new ATOM 0 HE22 GLN A 57 33.520 -6.564 -21.798 1.00 0.00 H new ATOM 360 N ASN A 58 34.160 -8.980 -14.842 1.00 0.00 N ATOM 361 CA ASN A 58 34.660 -8.618 -13.517 1.00 0.00 C ATOM 362 C ASN A 58 34.910 -9.864 -12.670 1.00 0.00 C ATOM 363 O ASN A 58 35.929 -9.953 -11.987 1.00 0.00 O ATOM 364 CB ASN A 58 33.647 -7.703 -12.819 1.00 0.00 C ATOM 365 CG ASN A 58 33.561 -6.344 -13.507 1.00 0.00 C ATOM 366 OD1 ASN A 58 34.315 -5.433 -13.182 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.638 -6.209 -14.459 1.00 0.00 N ATOM 0 H ASN A 58 33.203 -8.676 -15.023 1.00 0.00 H new ATOM 0 HA ASN A 58 35.607 -8.091 -13.634 1.00 0.00 H new ATOM 0 HB2 ASN A 58 32.665 -8.176 -12.820 1.00 0.00 H new ATOM 0 HB3 ASN A 58 33.934 -7.568 -11.776 1.00 0.00 H new ATOM 0 HD21 ASN A 58 32.538 -5.320 -14.950 1.00 0.00 H new ATOM 0 HD22 ASN A 58 32.032 -6.994 -14.697 1.00 0.00 H new ATOM 374 N GLY A 59 33.975 -10.817 -12.706 1.00 0.00 N ATOM 375 CA GLY A 59 34.073 -12.036 -11.919 1.00 0.00 C ATOM 376 C GLY A 59 33.302 -11.869 -10.612 1.00 0.00 C ATOM 377 O GLY A 59 32.561 -10.898 -10.442 1.00 0.00 O ATOM 0 H GLY A 59 33.134 -10.760 -13.281 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.672 -12.878 -12.484 1.00 0.00 H new ATOM 0 HA3 GLY A 59 35.119 -12.262 -11.709 1.00 0.00 H new ATOM 381 N THR A 60 33.479 -12.816 -9.686 1.00 0.00 N ATOM 382 CA THR A 60 32.816 -12.768 -8.391 1.00 0.00 C ATOM 383 C THR A 60 33.580 -11.812 -7.472 1.00 0.00 C ATOM 384 O THR A 60 34.238 -12.241 -6.526 1.00 0.00 O ATOM 385 CB THR A 60 32.751 -14.184 -7.797 1.00 0.00 C ATOM 386 OG1 THR A 60 34.006 -14.822 -7.936 1.00 0.00 O ATOM 387 CG2 THR A 60 31.685 -15.002 -8.530 1.00 0.00 C ATOM 0 H THR A 60 34.082 -13.629 -9.816 1.00 0.00 H new ATOM 0 HA THR A 60 31.796 -12.399 -8.500 1.00 0.00 H new ATOM 0 HB THR A 60 32.495 -14.114 -6.740 1.00 0.00 H new ATOM 0 HG1 THR A 60 34.701 -14.273 -7.516 1.00 0.00 H new ATOM 0 HG21 THR A 60 31.641 -16.005 -8.107 1.00 0.00 H new ATOM 0 HG22 THR A 60 30.715 -14.518 -8.418 1.00 0.00 H new ATOM 0 HG23 THR A 60 31.939 -15.065 -9.588 1.00 0.00 H new ATOM 395 N ASP A 61 33.488 -10.508 -7.767 1.00 0.00 N ATOM 396 CA ASP A 61 34.171 -9.484 -7.004 1.00 0.00 C ATOM 397 C ASP A 61 33.308 -9.079 -5.801 1.00 0.00 C ATOM 398 O ASP A 61 32.655 -9.927 -5.190 1.00 0.00 O ATOM 399 CB ASP A 61 34.452 -8.298 -7.942 1.00 0.00 C ATOM 400 CG ASP A 61 35.548 -7.395 -7.389 1.00 0.00 C ATOM 401 OD1 ASP A 61 36.721 -7.819 -7.453 1.00 0.00 O ATOM 402 OD2 ASP A 61 35.187 -6.297 -6.914 1.00 0.00 O ATOM 0 H ASP A 61 32.935 -10.145 -8.544 1.00 0.00 H new ATOM 0 HA ASP A 61 35.120 -9.849 -6.611 1.00 0.00 H new ATOM 0 HB2 ASP A 61 34.747 -8.671 -8.923 1.00 0.00 H new ATOM 0 HB3 ASP A 61 33.539 -7.719 -8.082 1.00 0.00 H new ATOM 407 N ASP A 62 33.306 -7.787 -5.466 1.00 0.00 N ATOM 408 CA ASP A 62 32.543 -7.270 -4.335 1.00 0.00 C ATOM 409 C ASP A 62 31.087 -7.016 -4.733 1.00 0.00 C ATOM 410 O ASP A 62 30.276 -6.668 -3.880 1.00 0.00 O ATOM 411 CB ASP A 62 33.199 -5.972 -3.835 1.00 0.00 C ATOM 412 CG ASP A 62 33.625 -6.099 -2.376 1.00 0.00 C ATOM 413 OD1 ASP A 62 34.531 -6.921 -2.117 1.00 0.00 O ATOM 414 OD2 ASP A 62 33.037 -5.370 -1.548 1.00 0.00 O ATOM 0 H ASP A 62 33.832 -7.074 -5.971 1.00 0.00 H new ATOM 0 HA ASP A 62 32.545 -8.009 -3.534 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.067 -5.739 -4.452 1.00 0.00 H new ATOM 0 HB3 ASP A 62 32.500 -5.143 -3.942 1.00 0.00 H new ATOM 419 N TRP A 63 30.768 -7.180 -6.034 1.00 0.00 N ATOM 420 CA TRP A 63 29.417 -6.981 -6.581 1.00 0.00 C ATOM 421 C TRP A 63 29.026 -5.495 -6.594 1.00 0.00 C ATOM 422 O TRP A 63 28.143 -5.104 -7.354 1.00 0.00 O ATOM 423 CB TRP A 63 28.387 -7.839 -5.828 1.00 0.00 C ATOM 424 CG TRP A 63 28.550 -9.304 -6.060 1.00 0.00 C ATOM 425 CD1 TRP A 63 29.160 -10.173 -5.236 1.00 0.00 C ATOM 426 CD2 TRP A 63 28.124 -10.092 -7.206 1.00 0.00 C ATOM 427 NE1 TRP A 63 29.160 -11.439 -5.771 1.00 0.00 N ATOM 428 CE2 TRP A 63 28.530 -11.449 -7.002 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.438 -9.802 -8.406 1.00 0.00 C ATOM 430 CZ2 TRP A 63 28.276 -12.453 -7.939 1.00 0.00 C ATOM 431 CZ3 TRP A 63 27.181 -10.808 -9.353 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.603 -12.131 -9.124 1.00 0.00 C ATOM 0 H TRP A 63 31.451 -7.457 -6.739 1.00 0.00 H new ATOM 0 HA TRP A 63 29.424 -7.314 -7.619 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.469 -7.637 -4.760 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.384 -7.540 -6.133 1.00 0.00 H new ATOM 0 HD1 TRP A 63 29.592 -9.912 -4.281 1.00 0.00 H new ATOM 0 HE1 TRP A 63 29.569 -12.259 -5.322 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.106 -8.792 -8.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 28.595 -13.468 -7.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.655 -10.564 -10.264 1.00 0.00 H new ATOM 0 HH2 TRP A 63 27.408 -12.896 -9.861 1.00 0.00 H new ATOM 443 N LYS A 64 29.686 -4.666 -5.777 1.00 0.00 N ATOM 444 CA LYS A 64 29.425 -3.236 -5.758 1.00 0.00 C ATOM 445 C LYS A 64 29.795 -2.644 -7.120 1.00 0.00 C ATOM 446 O LYS A 64 29.107 -1.758 -7.627 1.00 0.00 O ATOM 447 CB LYS A 64 30.245 -2.592 -4.635 1.00 0.00 C ATOM 448 CG LYS A 64 29.868 -1.115 -4.491 1.00 0.00 C ATOM 449 CD LYS A 64 30.602 -0.516 -3.289 1.00 0.00 C ATOM 450 CE LYS A 64 30.239 0.965 -3.150 1.00 0.00 C ATOM 451 NZ LYS A 64 30.931 1.575 -2.000 1.00 0.00 N ATOM 0 H LYS A 64 30.406 -4.970 -5.121 1.00 0.00 H new ATOM 0 HA LYS A 64 28.369 -3.041 -5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 64 30.064 -3.115 -3.696 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.309 -2.685 -4.852 1.00 0.00 H new ATOM 0 HG2 LYS A 64 30.130 -0.572 -5.399 1.00 0.00 H new ATOM 0 HG3 LYS A 64 28.791 -1.015 -4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 64 30.332 -1.054 -2.380 1.00 0.00 H new ATOM 0 HD3 LYS A 64 31.679 -0.626 -3.416 1.00 0.00 H new ATOM 0 HE2 LYS A 64 30.508 1.496 -4.063 1.00 0.00 H new ATOM 0 HE3 LYS A 64 29.161 1.068 -3.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 30.667 2.579 -1.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 30.655 1.082 -1.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 31.960 1.496 -2.132 1.00 0.00 H new ATOM 465 N VAL A 65 30.886 -3.151 -7.711 1.00 0.00 N ATOM 466 CA VAL A 65 31.347 -2.705 -9.017 1.00 0.00 C ATOM 467 C VAL A 65 30.239 -2.921 -10.045 1.00 0.00 C ATOM 468 O VAL A 65 29.921 -2.028 -10.826 1.00 0.00 O ATOM 469 CB VAL A 65 32.605 -3.500 -9.413 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.187 -2.930 -10.709 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.657 -3.413 -8.303 1.00 0.00 C ATOM 0 H VAL A 65 31.466 -3.878 -7.293 1.00 0.00 H new ATOM 0 HA VAL A 65 31.595 -1.644 -8.981 1.00 0.00 H new ATOM 0 HB VAL A 65 32.329 -4.544 -9.562 1.00 0.00 H new ATOM 0 HG11 VAL A 65 34.077 -3.494 -10.987 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.446 -3.006 -11.505 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.453 -1.884 -10.559 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.542 -3.979 -8.595 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.930 -2.370 -8.142 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.249 -3.828 -7.381 1.00 0.00 H new ATOM 481 N ILE A 66 29.656 -4.120 -10.035 1.00 0.00 N ATOM 482 CA ILE A 66 28.598 -4.481 -10.959 1.00 0.00 C ATOM 483 C ILE A 66 27.350 -3.641 -10.673 1.00 0.00 C ATOM 484 O ILE A 66 26.684 -3.190 -11.602 1.00 0.00 O ATOM 485 CB ILE A 66 28.323 -5.986 -10.827 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.608 -6.755 -11.194 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.179 -6.393 -11.763 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.374 -8.260 -11.134 1.00 0.00 C ATOM 0 H ILE A 66 29.909 -4.863 -9.384 1.00 0.00 H new ATOM 0 HA ILE A 66 28.897 -4.275 -11.987 1.00 0.00 H new ATOM 0 HB ILE A 66 28.031 -6.222 -9.804 1.00 0.00 H new ATOM 0 HG12 ILE A 66 29.933 -6.473 -12.195 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.410 -6.480 -10.509 1.00 0.00 H new ATOM 0 HG21 ILE A 66 26.990 -7.462 -11.663 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.278 -5.839 -11.499 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.454 -6.168 -12.793 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.294 -8.782 -11.397 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.073 -8.541 -10.125 1.00 0.00 H new ATOM 0 HD13 ILE A 66 28.588 -8.534 -11.837 1.00 0.00 H new ATOM 500 N ALA A 67 27.040 -3.426 -9.388 1.00 0.00 N ATOM 501 CA ALA A 67 25.885 -2.631 -8.994 1.00 0.00 C ATOM 502 C ALA A 67 25.997 -1.215 -9.567 1.00 0.00 C ATOM 503 O ALA A 67 24.997 -0.632 -9.973 1.00 0.00 O ATOM 504 CB ALA A 67 25.788 -2.591 -7.468 1.00 0.00 C ATOM 0 H ALA A 67 27.580 -3.796 -8.606 1.00 0.00 H new ATOM 0 HA ALA A 67 24.979 -3.088 -9.392 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.923 -1.996 -7.174 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.678 -3.605 -7.084 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.693 -2.143 -7.057 1.00 0.00 H new ATOM 510 N ASN A 68 27.218 -0.661 -9.606 1.00 0.00 N ATOM 511 CA ASN A 68 27.436 0.676 -10.151 1.00 0.00 C ATOM 512 C ASN A 68 27.074 0.699 -11.638 1.00 0.00 C ATOM 513 O ASN A 68 26.547 1.695 -12.129 1.00 0.00 O ATOM 514 CB ASN A 68 28.896 1.097 -9.940 1.00 0.00 C ATOM 515 CG ASN A 68 29.072 1.815 -8.605 1.00 0.00 C ATOM 516 OD1 ASN A 68 29.299 3.020 -8.572 1.00 0.00 O ATOM 517 ND2 ASN A 68 28.966 1.073 -7.504 1.00 0.00 N ATOM 0 H ASN A 68 28.063 -1.121 -9.267 1.00 0.00 H new ATOM 0 HA ASN A 68 26.795 1.386 -9.629 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.540 0.218 -9.972 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.210 1.752 -10.753 1.00 0.00 H new ATOM 0 HD21 ASN A 68 29.075 1.504 -6.586 1.00 0.00 H new ATOM 0 HD22 ASN A 68 28.776 0.074 -7.579 1.00 0.00 H new ATOM 524 N TYR A 69 27.352 -0.401 -12.355 1.00 0.00 N ATOM 525 CA TYR A 69 27.042 -0.495 -13.777 1.00 0.00 C ATOM 526 C TYR A 69 25.557 -0.817 -13.981 1.00 0.00 C ATOM 527 O TYR A 69 25.012 -0.539 -15.048 1.00 0.00 O ATOM 528 CB TYR A 69 27.921 -1.570 -14.426 1.00 0.00 C ATOM 529 CG TYR A 69 29.376 -1.162 -14.560 1.00 0.00 C ATOM 530 CD1 TYR A 69 29.720 -0.024 -15.314 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.385 -1.923 -13.941 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.067 0.354 -15.442 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.732 -1.544 -14.074 1.00 0.00 C ATOM 534 CZ TYR A 69 32.072 -0.406 -14.822 1.00 0.00 C ATOM 535 OH TYR A 69 33.380 -0.040 -14.948 1.00 0.00 O ATOM 0 H TYR A 69 27.792 -1.235 -11.966 1.00 0.00 H new ATOM 0 HA TYR A 69 27.249 0.464 -14.251 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.861 -2.483 -13.834 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.525 -1.804 -15.414 1.00 0.00 H new ATOM 0 HD1 TYR A 69 28.948 0.559 -15.794 1.00 0.00 H new ATOM 0 HD2 TYR A 69 30.124 -2.798 -13.364 1.00 0.00 H new ATOM 0 HE1 TYR A 69 31.330 1.229 -16.017 1.00 0.00 H new ATOM 0 HE2 TYR A 69 32.506 -2.129 -13.600 1.00 0.00 H new ATOM 0 HH TYR A 69 33.945 -0.672 -14.457 1.00 0.00 H new ATOM 545 N LEU A 70 24.907 -1.398 -12.959 1.00 0.00 N ATOM 546 CA LEU A 70 23.489 -1.740 -13.021 1.00 0.00 C ATOM 547 C LEU A 70 22.733 -1.008 -11.907 1.00 0.00 C ATOM 548 O LEU A 70 22.500 -1.586 -10.846 1.00 0.00 O ATOM 549 CB LEU A 70 23.324 -3.258 -12.863 1.00 0.00 C ATOM 550 CG LEU A 70 23.732 -3.984 -14.151 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.867 -5.479 -13.863 1.00 0.00 C ATOM 552 CD2 LEU A 70 22.665 -3.777 -15.231 1.00 0.00 C ATOM 0 H LEU A 70 25.353 -1.640 -12.074 1.00 0.00 H new ATOM 0 HA LEU A 70 23.080 -1.434 -13.984 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.934 -3.611 -12.032 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.288 -3.493 -12.620 1.00 0.00 H new ATOM 0 HG LEU A 70 24.682 -3.582 -14.503 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.157 -6.001 -14.775 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.628 -5.635 -13.098 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.912 -5.869 -13.510 1.00 0.00 H new ATOM 0 HD21 LEU A 70 22.964 -4.296 -16.142 1.00 0.00 H new ATOM 0 HD22 LEU A 70 21.712 -4.175 -14.882 1.00 0.00 H new ATOM 0 HD23 LEU A 70 22.559 -2.712 -15.439 1.00 0.00 H new ATOM 564 N PRO A 71 22.338 0.265 -12.137 1.00 0.00 N ATOM 565 CA PRO A 71 21.609 1.039 -11.153 1.00 0.00 C ATOM 566 C PRO A 71 20.348 0.294 -10.717 1.00 0.00 C ATOM 567 O PRO A 71 19.816 -0.516 -11.474 1.00 0.00 O ATOM 568 CB PRO A 71 21.277 2.373 -11.828 1.00 0.00 C ATOM 569 CG PRO A 71 21.963 2.362 -13.200 1.00 0.00 C ATOM 570 CD PRO A 71 22.593 0.979 -13.371 1.00 0.00 C ATOM 0 HA PRO A 71 22.193 1.203 -10.248 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.199 2.493 -11.936 1.00 0.00 H new ATOM 0 HB3 PRO A 71 21.632 3.209 -11.226 1.00 0.00 H new ATOM 0 HG2 PRO A 71 21.242 2.559 -13.994 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.722 3.142 -13.258 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.157 0.455 -14.222 1.00 0.00 H new ATOM 0 HD3 PRO A 71 23.663 1.059 -13.561 1.00 0.00 H new ATOM 578 N ASN A 72 19.884 0.573 -9.485 1.00 0.00 N ATOM 579 CA ASN A 72 18.703 -0.072 -8.891 1.00 0.00 C ATOM 580 C ASN A 72 19.060 -1.481 -8.405 1.00 0.00 C ATOM 581 O ASN A 72 18.646 -1.881 -7.318 1.00 0.00 O ATOM 582 CB ASN A 72 17.519 -0.116 -9.874 1.00 0.00 C ATOM 583 CG ASN A 72 17.276 1.247 -10.518 1.00 0.00 C ATOM 584 OD1 ASN A 72 16.781 2.163 -9.868 1.00 0.00 O ATOM 585 ND2 ASN A 72 17.623 1.378 -11.798 1.00 0.00 N ATOM 0 H ASN A 72 20.323 1.258 -8.870 1.00 0.00 H new ATOM 0 HA ASN A 72 18.389 0.528 -8.037 1.00 0.00 H new ATOM 0 HB2 ASN A 72 17.716 -0.856 -10.650 1.00 0.00 H new ATOM 0 HB3 ASN A 72 16.620 -0.437 -9.348 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.480 2.267 -12.277 1.00 0.00 H new ATOM 0 HD22 ASN A 72 18.031 0.589 -12.299 1.00 0.00 H new ATOM 592 N ARG A 73 19.831 -2.232 -9.205 1.00 0.00 N ATOM 593 CA ARG A 73 20.242 -3.577 -8.838 1.00 0.00 C ATOM 594 C ARG A 73 21.412 -3.490 -7.863 1.00 0.00 C ATOM 595 O ARG A 73 22.562 -3.366 -8.279 1.00 0.00 O ATOM 596 CB ARG A 73 20.649 -4.365 -10.092 1.00 0.00 C ATOM 597 CG ARG A 73 19.557 -4.290 -11.166 1.00 0.00 C ATOM 598 CD ARG A 73 18.250 -4.885 -10.640 1.00 0.00 C ATOM 599 NE ARG A 73 17.292 -5.054 -11.735 1.00 0.00 N ATOM 600 CZ ARG A 73 16.173 -5.786 -11.632 1.00 0.00 C ATOM 601 NH1 ARG A 73 15.878 -6.413 -10.486 1.00 0.00 N ATOM 602 NH2 ARG A 73 15.352 -5.888 -12.678 1.00 0.00 N ATOM 0 H ARG A 73 20.179 -1.921 -10.112 1.00 0.00 H new ATOM 0 HA ARG A 73 19.411 -4.097 -8.361 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.583 -3.967 -10.489 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.833 -5.406 -9.828 1.00 0.00 H new ATOM 0 HG2 ARG A 73 19.399 -3.253 -11.461 1.00 0.00 H new ATOM 0 HG3 ARG A 73 19.877 -4.830 -12.057 1.00 0.00 H new ATOM 0 HD2 ARG A 73 18.445 -5.847 -10.167 1.00 0.00 H new ATOM 0 HD3 ARG A 73 17.827 -4.233 -9.875 1.00 0.00 H new ATOM 0 HE ARG A 73 17.486 -4.591 -12.623 1.00 0.00 H new ATOM 0 HH11 ARG A 73 16.506 -6.335 -9.686 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.026 -6.968 -10.413 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.576 -5.411 -13.551 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.500 -6.443 -12.605 1.00 0.00 H new ATOM 616 N THR A 74 21.116 -3.555 -6.564 1.00 0.00 N ATOM 617 CA THR A 74 22.141 -3.486 -5.535 1.00 0.00 C ATOM 618 C THR A 74 23.090 -4.676 -5.664 1.00 0.00 C ATOM 619 O THR A 74 22.822 -5.615 -6.417 1.00 0.00 O ATOM 620 CB THR A 74 21.475 -3.483 -4.153 1.00 0.00 C ATOM 621 OG1 THR A 74 20.714 -4.663 -3.995 1.00 0.00 O ATOM 622 CG2 THR A 74 20.560 -2.263 -4.015 1.00 0.00 C ATOM 0 H THR A 74 20.167 -3.656 -6.203 1.00 0.00 H new ATOM 0 HA THR A 74 22.717 -2.569 -5.656 1.00 0.00 H new ATOM 0 HB THR A 74 22.247 -3.439 -3.385 1.00 0.00 H new ATOM 0 HG1 THR A 74 20.289 -4.663 -3.112 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.091 -2.269 -3.031 1.00 0.00 H new ATOM 0 HG22 THR A 74 21.148 -1.352 -4.131 1.00 0.00 H new ATOM 0 HG23 THR A 74 19.789 -2.298 -4.784 1.00 0.00 H new ATOM 630 N ASP A 75 24.195 -4.639 -4.917 1.00 0.00 N ATOM 631 CA ASP A 75 25.167 -5.720 -4.915 1.00 0.00 C ATOM 632 C ASP A 75 24.475 -7.025 -4.526 1.00 0.00 C ATOM 633 O ASP A 75 24.772 -8.075 -5.088 1.00 0.00 O ATOM 634 CB ASP A 75 26.294 -5.382 -3.931 1.00 0.00 C ATOM 635 CG ASP A 75 25.741 -5.036 -2.551 1.00 0.00 C ATOM 636 OD1 ASP A 75 25.125 -3.951 -2.442 1.00 0.00 O ATOM 637 OD2 ASP A 75 25.941 -5.862 -1.636 1.00 0.00 O ATOM 0 H ASP A 75 24.435 -3.862 -4.302 1.00 0.00 H new ATOM 0 HA ASP A 75 25.597 -5.842 -5.909 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.975 -6.229 -3.850 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.874 -4.542 -4.314 1.00 0.00 H new ATOM 642 N VAL A 76 23.543 -6.948 -3.568 1.00 0.00 N ATOM 643 CA VAL A 76 22.794 -8.110 -3.118 1.00 0.00 C ATOM 644 C VAL A 76 21.928 -8.638 -4.262 1.00 0.00 C ATOM 645 O VAL A 76 21.890 -9.841 -4.502 1.00 0.00 O ATOM 646 CB VAL A 76 21.927 -7.723 -1.909 1.00 0.00 C ATOM 647 CG1 VAL A 76 21.138 -8.944 -1.425 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.820 -7.215 -0.772 1.00 0.00 C ATOM 0 H VAL A 76 23.294 -6.082 -3.091 1.00 0.00 H new ATOM 0 HA VAL A 76 23.482 -8.899 -2.815 1.00 0.00 H new ATOM 0 HB VAL A 76 21.234 -6.936 -2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.525 -8.665 -0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.496 -9.304 -2.229 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.831 -9.733 -1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 76 22.201 -6.942 0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.518 -8.000 -0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.378 -6.342 -1.110 1.00 0.00 H new ATOM 658 N GLN A 77 21.231 -7.734 -4.965 1.00 0.00 N ATOM 659 CA GLN A 77 20.362 -8.113 -6.073 1.00 0.00 C ATOM 660 C GLN A 77 21.177 -8.799 -7.171 1.00 0.00 C ATOM 661 O GLN A 77 20.788 -9.857 -7.661 1.00 0.00 O ATOM 662 CB GLN A 77 19.655 -6.862 -6.624 1.00 0.00 C ATOM 663 CG GLN A 77 18.133 -7.016 -6.501 1.00 0.00 C ATOM 664 CD GLN A 77 17.678 -6.987 -5.041 1.00 0.00 C ATOM 665 OE1 GLN A 77 18.488 -6.835 -4.131 1.00 0.00 O ATOM 666 NE2 GLN A 77 16.372 -7.133 -4.821 1.00 0.00 N ATOM 0 H GLN A 77 21.257 -6.731 -4.779 1.00 0.00 H new ATOM 0 HA GLN A 77 19.609 -8.816 -5.717 1.00 0.00 H new ATOM 0 HB2 GLN A 77 19.984 -5.979 -6.077 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.929 -6.710 -7.668 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.640 -6.215 -7.052 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.824 -7.955 -6.960 1.00 0.00 H new ATOM 0 HE21 GLN A 77 15.733 -7.257 -5.607 1.00 0.00 H new ATOM 0 HE22 GLN A 77 16.011 -7.121 -3.867 1.00 0.00 H new ATOM 675 N CYS A 78 22.305 -8.190 -7.557 1.00 0.00 N ATOM 676 CA CYS A 78 23.164 -8.738 -8.600 1.00 0.00 C ATOM 677 C CYS A 78 23.695 -10.104 -8.168 1.00 0.00 C ATOM 678 O CYS A 78 23.635 -11.067 -8.934 1.00 0.00 O ATOM 679 CB CYS A 78 24.327 -7.777 -8.872 1.00 0.00 C ATOM 680 SG CYS A 78 23.686 -6.259 -9.625 1.00 0.00 S ATOM 0 H CYS A 78 22.640 -7.314 -7.157 1.00 0.00 H new ATOM 0 HA CYS A 78 22.587 -8.859 -9.516 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.846 -7.544 -7.942 1.00 0.00 H new ATOM 0 HB3 CYS A 78 25.054 -8.246 -9.535 1.00 0.00 H new ATOM 0 HG CYS A 78 23.274 -5.452 -8.692 1.00 0.00 H new ATOM 686 N GLN A 79 24.215 -10.179 -6.936 1.00 0.00 N ATOM 687 CA GLN A 79 24.758 -11.413 -6.395 1.00 0.00 C ATOM 688 C GLN A 79 23.703 -12.513 -6.445 1.00 0.00 C ATOM 689 O GLN A 79 23.967 -13.590 -6.958 1.00 0.00 O ATOM 690 CB GLN A 79 25.231 -11.170 -4.957 1.00 0.00 C ATOM 691 CG GLN A 79 25.917 -12.427 -4.411 1.00 0.00 C ATOM 692 CD GLN A 79 26.362 -12.228 -2.966 1.00 0.00 C ATOM 693 OE1 GLN A 79 26.040 -13.036 -2.100 1.00 0.00 O ATOM 694 NE2 GLN A 79 27.104 -11.151 -2.706 1.00 0.00 N ATOM 0 H GLN A 79 24.267 -9.386 -6.296 1.00 0.00 H new ATOM 0 HA GLN A 79 25.610 -11.735 -6.994 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.922 -10.328 -4.930 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.382 -10.906 -4.326 1.00 0.00 H new ATOM 0 HG2 GLN A 79 25.232 -13.273 -4.470 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.780 -12.671 -5.030 1.00 0.00 H new ATOM 0 HE21 GLN A 79 27.348 -10.506 -3.458 1.00 0.00 H new ATOM 0 HE22 GLN A 79 27.428 -10.972 -1.755 1.00 0.00 H new ATOM 703 N HIS A 80 22.509 -12.237 -5.910 1.00 0.00 N ATOM 704 CA HIS A 80 21.426 -13.209 -5.893 1.00 0.00 C ATOM 705 C HIS A 80 21.087 -13.649 -7.309 1.00 0.00 C ATOM 706 O HIS A 80 21.105 -14.837 -7.600 1.00 0.00 O ATOM 707 CB HIS A 80 20.189 -12.597 -5.224 1.00 0.00 C ATOM 708 CG HIS A 80 20.113 -12.873 -3.745 1.00 0.00 C ATOM 709 ND1 HIS A 80 19.083 -12.385 -2.953 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.909 -13.590 -2.884 1.00 0.00 C ATOM 711 CE1 HIS A 80 19.311 -12.825 -1.702 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.412 -13.569 -1.590 1.00 0.00 N ATOM 0 H HIS A 80 22.274 -11.341 -5.482 1.00 0.00 H new ATOM 0 HA HIS A 80 21.746 -14.082 -5.324 1.00 0.00 H new ATOM 0 HB2 HIS A 80 20.193 -11.519 -5.386 1.00 0.00 H new ATOM 0 HB3 HIS A 80 19.293 -12.988 -5.706 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.811 -14.106 -3.179 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.664 -12.597 -0.868 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.795 -14.014 -0.756 1.00 0.00 H new ATOM 720 N ARG A 81 20.765 -12.691 -8.184 1.00 0.00 N ATOM 721 CA ARG A 81 20.376 -12.997 -9.551 1.00 0.00 C ATOM 722 C ARG A 81 21.334 -14.016 -10.166 1.00 0.00 C ATOM 723 O ARG A 81 20.891 -14.998 -10.757 1.00 0.00 O ATOM 724 CB ARG A 81 20.346 -11.703 -10.379 1.00 0.00 C ATOM 725 CG ARG A 81 19.931 -11.999 -11.832 1.00 0.00 C ATOM 726 CD ARG A 81 18.564 -12.695 -11.863 1.00 0.00 C ATOM 727 NE ARG A 81 17.984 -12.674 -13.214 1.00 0.00 N ATOM 728 CZ ARG A 81 16.853 -13.329 -13.531 1.00 0.00 C ATOM 729 NH1 ARG A 81 16.219 -14.063 -12.606 1.00 0.00 N ATOM 730 NH2 ARG A 81 16.355 -13.250 -14.771 1.00 0.00 N ATOM 0 H ARG A 81 20.768 -11.695 -7.962 1.00 0.00 H new ATOM 0 HA ARG A 81 19.379 -13.437 -9.550 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.647 -10.995 -9.933 1.00 0.00 H new ATOM 0 HB3 ARG A 81 21.329 -11.233 -10.364 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.887 -11.071 -12.401 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.680 -12.631 -12.310 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.671 -13.726 -11.527 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.886 -12.201 -11.166 1.00 0.00 H new ATOM 0 HE ARG A 81 18.460 -12.140 -13.941 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.594 -14.126 -11.660 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.361 -14.559 -12.848 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.834 -12.692 -15.478 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.497 -13.748 -15.009 1.00 0.00 H new ATOM 744 N TRP A 82 22.643 -13.789 -10.035 1.00 0.00 N ATOM 745 CA TRP A 82 23.618 -14.682 -10.627 1.00 0.00 C ATOM 746 C TRP A 82 23.804 -15.955 -9.792 1.00 0.00 C ATOM 747 O TRP A 82 23.555 -17.050 -10.287 1.00 0.00 O ATOM 748 CB TRP A 82 24.948 -13.965 -10.808 1.00 0.00 C ATOM 749 CG TRP A 82 25.935 -14.781 -11.569 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.879 -15.565 -11.032 1.00 0.00 C ATOM 751 CD2 TRP A 82 26.060 -14.958 -13.009 1.00 0.00 C ATOM 752 NE1 TRP A 82 27.581 -16.227 -12.004 1.00 0.00 N ATOM 753 CE2 TRP A 82 27.117 -15.887 -13.260 1.00 0.00 C ATOM 754 CE3 TRP A 82 25.384 -14.441 -14.137 1.00 0.00 C ATOM 755 CZ2 TRP A 82 27.481 -16.279 -14.548 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.746 -14.837 -15.439 1.00 0.00 C ATOM 757 CH2 TRP A 82 26.791 -15.755 -15.643 1.00 0.00 C ATOM 0 H TRP A 82 23.041 -12.999 -9.527 1.00 0.00 H new ATOM 0 HA TRP A 82 23.241 -14.984 -11.604 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.781 -13.022 -11.329 1.00 0.00 H new ATOM 0 HB3 TRP A 82 25.361 -13.719 -9.830 1.00 0.00 H new ATOM 0 HD1 TRP A 82 27.062 -15.662 -9.972 1.00 0.00 H new ATOM 0 HE1 TRP A 82 28.342 -16.882 -11.825 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.580 -13.733 -13.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 28.288 -16.981 -14.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 25.216 -14.432 -16.288 1.00 0.00 H new ATOM 0 HH2 TRP A 82 27.060 -16.055 -16.645 1.00 0.00 H new ATOM 768 N GLN A 83 24.256 -15.813 -8.534 1.00 0.00 N ATOM 769 CA GLN A 83 24.541 -16.959 -7.660 1.00 0.00 C ATOM 770 C GLN A 83 23.249 -17.607 -7.138 1.00 0.00 C ATOM 771 O GLN A 83 23.184 -18.000 -5.973 1.00 0.00 O ATOM 772 CB GLN A 83 25.405 -16.489 -6.474 1.00 0.00 C ATOM 773 CG GLN A 83 26.784 -16.017 -6.956 1.00 0.00 C ATOM 774 CD GLN A 83 27.667 -17.196 -7.362 1.00 0.00 C ATOM 775 OE1 GLN A 83 28.108 -17.282 -8.503 1.00 0.00 O ATOM 776 NE2 GLN A 83 27.927 -18.105 -6.422 1.00 0.00 N ATOM 0 H GLN A 83 24.432 -14.907 -8.099 1.00 0.00 H new ATOM 0 HA GLN A 83 25.077 -17.709 -8.242 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.901 -15.677 -5.950 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.524 -17.304 -5.760 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.663 -15.342 -7.803 1.00 0.00 H new ATOM 0 HG3 GLN A 83 27.273 -15.450 -6.164 1.00 0.00 H new ATOM 0 HE21 GLN A 83 27.540 -17.995 -5.485 1.00 0.00 H new ATOM 0 HE22 GLN A 83 28.513 -18.911 -6.640 1.00 0.00 H new ATOM 785 N LYS A 84 22.227 -17.727 -7.989 1.00 0.00 N ATOM 786 CA LYS A 84 20.970 -18.347 -7.597 1.00 0.00 C ATOM 787 C LYS A 84 20.164 -18.777 -8.829 1.00 0.00 C ATOM 788 O LYS A 84 19.352 -19.696 -8.730 1.00 0.00 O ATOM 789 CB LYS A 84 20.163 -17.371 -6.729 1.00 0.00 C ATOM 790 CG LYS A 84 19.224 -18.148 -5.805 1.00 0.00 C ATOM 791 CD LYS A 84 18.449 -17.164 -4.922 1.00 0.00 C ATOM 792 CE LYS A 84 17.600 -17.930 -3.902 1.00 0.00 C ATOM 793 NZ LYS A 84 16.570 -18.749 -4.568 1.00 0.00 N ATOM 0 H LYS A 84 22.251 -17.400 -8.955 1.00 0.00 H new ATOM 0 HA LYS A 84 21.185 -19.243 -7.015 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.839 -16.753 -6.138 1.00 0.00 H new ATOM 0 HB3 LYS A 84 19.587 -16.697 -7.364 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.531 -18.748 -6.394 1.00 0.00 H new ATOM 0 HG3 LYS A 84 19.796 -18.838 -5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 84 19.144 -16.502 -4.405 1.00 0.00 H new ATOM 0 HD3 LYS A 84 17.809 -16.534 -5.540 1.00 0.00 H new ATOM 0 HE2 LYS A 84 18.243 -18.571 -3.299 1.00 0.00 H new ATOM 0 HE3 LYS A 84 17.123 -17.225 -3.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.908 -19.120 -3.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 16.051 -18.164 -5.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 17.024 -19.542 -5.064 1.00 0.00 H new ATOM 807 N VAL A 85 20.372 -18.110 -9.986 1.00 0.00 N ATOM 808 CA VAL A 85 19.621 -18.420 -11.200 1.00 0.00 C ATOM 809 C VAL A 85 20.572 -18.751 -12.357 1.00 0.00 C ATOM 810 O VAL A 85 20.518 -19.854 -12.898 1.00 0.00 O ATOM 811 CB VAL A 85 18.708 -17.232 -11.555 1.00 0.00 C ATOM 812 CG1 VAL A 85 17.705 -17.659 -12.630 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.945 -16.764 -10.306 1.00 0.00 C ATOM 0 H VAL A 85 21.053 -17.358 -10.094 1.00 0.00 H new ATOM 0 HA VAL A 85 19.001 -19.299 -11.024 1.00 0.00 H new ATOM 0 HB VAL A 85 19.322 -16.413 -11.930 1.00 0.00 H new ATOM 0 HG11 VAL A 85 17.059 -16.817 -12.880 1.00 0.00 H new ATOM 0 HG12 VAL A 85 18.243 -17.982 -13.522 1.00 0.00 H new ATOM 0 HG13 VAL A 85 17.098 -18.483 -12.255 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.302 -15.923 -10.566 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.335 -17.583 -9.924 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.656 -16.453 -9.540 1.00 0.00 H new ATOM 823 N LEU A 86 21.436 -17.800 -12.747 1.00 0.00 N ATOM 824 CA LEU A 86 22.356 -18.012 -13.863 1.00 0.00 C ATOM 825 C LEU A 86 23.426 -19.028 -13.474 1.00 0.00 C ATOM 826 O LEU A 86 23.948 -18.992 -12.363 1.00 0.00 O ATOM 827 CB LEU A 86 23.033 -16.690 -14.268 1.00 0.00 C ATOM 828 CG LEU A 86 22.094 -15.770 -15.078 1.00 0.00 C ATOM 829 CD1 LEU A 86 21.515 -16.512 -16.289 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.960 -15.250 -14.195 1.00 0.00 C ATOM 0 H LEU A 86 21.513 -16.884 -12.305 1.00 0.00 H new ATOM 0 HA LEU A 86 21.783 -18.391 -14.709 1.00 0.00 H new ATOM 0 HB2 LEU A 86 23.366 -16.166 -13.372 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.923 -16.907 -14.859 1.00 0.00 H new ATOM 0 HG LEU A 86 22.680 -14.923 -15.436 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.857 -15.844 -16.844 1.00 0.00 H new ATOM 0 HD12 LEU A 86 22.328 -16.842 -16.936 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.949 -17.379 -15.948 1.00 0.00 H new ATOM 0 HD21 LEU A 86 20.308 -14.603 -14.783 1.00 0.00 H new ATOM 0 HD22 LEU A 86 20.384 -16.091 -13.809 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.378 -14.684 -13.362 1.00 0.00 H new