USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=9 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 Set 1.1: A 79 GLN : amide:sc= 0.792 K(o=1.4,f=-0.47) USER MOD Set 1.2: A 83 GLN : amide:sc= 0.624 K(o=1.4,f=-2.3!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -172:sc= 1.21 (180deg=1.13) USER MOD Single : A 52 LYS NZ :NH3+ -126:sc= 1.27 (180deg=0.326) USER MOD Single : A 53 LYS NZ :NH3+ 130:sc= 1.19 (180deg=-0.314) USER MOD Single : A 57 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.15) USER MOD Single : A 58 ASN : amide:sc= 0.801 K(o=0.8,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00118 USER MOD Single : A 64 LYS NZ :NH3+ 160:sc= 1.07 (180deg=0.105!) USER MOD Single : A 68 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00651 USER MOD Single : A 77 GLN : amide:sc= 0.0187 K(o=0.019,f=-1.2) USER MOD Single : A 78 CYS SG : rot 80:sc= -0.616 USER MOD Single : A 80 HIS : no HD1:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.200 -8.841 -13.164 1.00 0.00 N ATOM 90 CA TRP A 43 14.337 -8.714 -14.069 1.00 0.00 C ATOM 91 C TRP A 43 13.893 -8.937 -15.512 1.00 0.00 C ATOM 92 O TRP A 43 12.772 -9.383 -15.760 1.00 0.00 O ATOM 93 CB TRP A 43 15.404 -9.738 -13.670 1.00 0.00 C ATOM 94 CG TRP A 43 16.331 -9.275 -12.594 1.00 0.00 C ATOM 95 CD1 TRP A 43 16.047 -9.219 -11.283 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.698 -8.786 -12.715 1.00 0.00 C ATOM 97 NE1 TRP A 43 17.116 -8.735 -10.569 1.00 0.00 N ATOM 98 CE2 TRP A 43 18.176 -8.449 -11.409 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.588 -8.588 -13.793 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.462 -7.947 -11.189 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.882 -8.074 -13.579 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.320 -7.757 -12.278 1.00 0.00 C ATOM 0 HA TRP A 43 14.753 -7.709 -13.997 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.909 -10.650 -13.338 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.990 -9.996 -14.552 1.00 0.00 H new ATOM 0 HD1 TRP A 43 15.104 -9.515 -10.848 1.00 0.00 H new ATOM 0 HE1 TRP A 43 17.126 -8.604 -9.557 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.272 -8.834 -14.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.790 -7.708 -10.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.544 -7.922 -14.419 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.315 -7.368 -12.122 1.00 0.00 H new ATOM 113 N THR A 44 14.788 -8.623 -16.461 1.00 0.00 N ATOM 114 CA THR A 44 14.521 -8.783 -17.885 1.00 0.00 C ATOM 115 C THR A 44 15.747 -9.396 -18.559 1.00 0.00 C ATOM 116 O THR A 44 16.861 -9.245 -18.067 1.00 0.00 O ATOM 117 CB THR A 44 14.194 -7.418 -18.506 1.00 0.00 C ATOM 118 OG1 THR A 44 15.264 -6.524 -18.279 1.00 0.00 O ATOM 119 CG2 THR A 44 12.914 -6.849 -17.886 1.00 0.00 C ATOM 0 H THR A 44 15.715 -8.251 -16.255 1.00 0.00 H new ATOM 0 HA THR A 44 13.667 -9.444 -18.030 1.00 0.00 H new ATOM 0 HB THR A 44 14.045 -7.545 -19.578 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.054 -5.654 -18.678 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.692 -5.881 -18.334 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.085 -7.533 -18.070 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.053 -6.728 -16.812 1.00 0.00 H new ATOM 127 N ARG A 45 15.533 -10.085 -19.689 1.00 0.00 N ATOM 128 CA ARG A 45 16.614 -10.727 -20.434 1.00 0.00 C ATOM 129 C ARG A 45 17.724 -9.718 -20.747 1.00 0.00 C ATOM 130 O ARG A 45 18.906 -10.050 -20.676 1.00 0.00 O ATOM 131 CB ARG A 45 16.041 -11.315 -21.730 1.00 0.00 C ATOM 132 CG ARG A 45 17.091 -12.198 -22.423 1.00 0.00 C ATOM 133 CD ARG A 45 17.141 -11.869 -23.919 1.00 0.00 C ATOM 134 NE ARG A 45 17.722 -10.536 -24.154 1.00 0.00 N ATOM 135 CZ ARG A 45 19.047 -10.311 -24.266 1.00 0.00 C ATOM 136 NH1 ARG A 45 19.925 -11.305 -24.089 1.00 0.00 N ATOM 137 NH2 ARG A 45 19.495 -9.086 -24.556 1.00 0.00 N ATOM 0 H ARG A 45 14.611 -10.210 -20.106 1.00 0.00 H new ATOM 0 HA ARG A 45 17.048 -11.525 -19.832 1.00 0.00 H new ATOM 0 HB2 ARG A 45 15.150 -11.903 -21.508 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.734 -10.510 -22.398 1.00 0.00 H new ATOM 0 HG2 ARG A 45 18.070 -12.036 -21.973 1.00 0.00 H new ATOM 0 HG3 ARG A 45 16.845 -13.250 -22.281 1.00 0.00 H new ATOM 0 HD2 ARG A 45 17.732 -12.623 -24.440 1.00 0.00 H new ATOM 0 HD3 ARG A 45 16.135 -11.908 -24.336 1.00 0.00 H new ATOM 0 HE ARG A 45 17.089 -9.741 -24.236 1.00 0.00 H new ATOM 0 HH11 ARG A 45 19.594 -12.244 -23.867 1.00 0.00 H new ATOM 0 HH12 ARG A 45 20.925 -11.124 -24.176 1.00 0.00 H new ATOM 0 HH21 ARG A 45 18.835 -8.321 -24.693 1.00 0.00 H new ATOM 0 HH22 ARG A 45 20.497 -8.916 -24.641 1.00 0.00 H new ATOM 151 N GLU A 46 17.337 -8.488 -21.100 1.00 0.00 N ATOM 152 CA GLU A 46 18.288 -7.441 -21.436 1.00 0.00 C ATOM 153 C GLU A 46 19.222 -7.178 -20.249 1.00 0.00 C ATOM 154 O GLU A 46 20.445 -7.177 -20.403 1.00 0.00 O ATOM 155 CB GLU A 46 17.509 -6.174 -21.829 1.00 0.00 C ATOM 156 CG GLU A 46 18.290 -5.370 -22.874 1.00 0.00 C ATOM 157 CD GLU A 46 19.522 -4.718 -22.264 1.00 0.00 C ATOM 158 OE1 GLU A 46 19.334 -3.928 -21.312 1.00 0.00 O ATOM 159 OE2 GLU A 46 20.627 -5.015 -22.759 1.00 0.00 O ATOM 0 H GLU A 46 16.361 -8.198 -21.159 1.00 0.00 H new ATOM 0 HA GLU A 46 18.907 -7.750 -22.278 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.532 -6.449 -22.228 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.332 -5.560 -20.946 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.590 -6.026 -23.691 1.00 0.00 H new ATOM 0 HG3 GLU A 46 17.645 -4.603 -23.302 1.00 0.00 H new ATOM 166 N GLU A 47 18.642 -6.959 -19.063 1.00 0.00 N ATOM 167 CA GLU A 47 19.417 -6.685 -17.863 1.00 0.00 C ATOM 168 C GLU A 47 20.231 -7.920 -17.466 1.00 0.00 C ATOM 169 O GLU A 47 21.376 -7.794 -17.037 1.00 0.00 O ATOM 170 CB GLU A 47 18.469 -6.269 -16.737 1.00 0.00 C ATOM 171 CG GLU A 47 19.200 -5.355 -15.750 1.00 0.00 C ATOM 172 CD GLU A 47 18.268 -4.923 -14.626 1.00 0.00 C ATOM 173 OE1 GLU A 47 17.530 -5.801 -14.132 1.00 0.00 O ATOM 174 OE2 GLU A 47 18.308 -3.724 -14.281 1.00 0.00 O ATOM 0 H GLU A 47 17.633 -6.968 -18.916 1.00 0.00 H new ATOM 0 HA GLU A 47 20.116 -5.871 -18.055 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.603 -5.752 -17.151 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.096 -7.153 -16.219 1.00 0.00 H new ATOM 0 HG2 GLU A 47 20.062 -5.876 -15.334 1.00 0.00 H new ATOM 0 HG3 GLU A 47 19.580 -4.477 -16.272 1.00 0.00 H new ATOM 181 N ASP A 48 19.639 -9.115 -17.613 1.00 0.00 N ATOM 182 CA ASP A 48 20.318 -10.361 -17.283 1.00 0.00 C ATOM 183 C ASP A 48 21.578 -10.502 -18.129 1.00 0.00 C ATOM 184 O ASP A 48 22.619 -10.916 -17.624 1.00 0.00 O ATOM 185 CB ASP A 48 19.378 -11.549 -17.525 1.00 0.00 C ATOM 186 CG ASP A 48 18.314 -11.651 -16.438 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.688 -11.499 -15.257 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.143 -11.889 -16.804 1.00 0.00 O ATOM 0 H ASP A 48 18.688 -9.237 -17.960 1.00 0.00 H new ATOM 0 HA ASP A 48 20.601 -10.348 -16.230 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.897 -11.441 -18.497 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.957 -12.472 -17.556 1.00 0.00 H new ATOM 193 N GLU A 49 21.489 -10.157 -19.420 1.00 0.00 N ATOM 194 CA GLU A 49 22.635 -10.240 -20.307 1.00 0.00 C ATOM 195 C GLU A 49 23.720 -9.282 -19.825 1.00 0.00 C ATOM 196 O GLU A 49 24.883 -9.662 -19.739 1.00 0.00 O ATOM 197 CB GLU A 49 22.217 -9.910 -21.740 1.00 0.00 C ATOM 198 CG GLU A 49 23.292 -10.419 -22.707 1.00 0.00 C ATOM 199 CD GLU A 49 23.207 -9.708 -24.047 1.00 0.00 C ATOM 200 OE1 GLU A 49 22.109 -9.749 -24.642 1.00 0.00 O ATOM 201 OE2 GLU A 49 24.245 -9.137 -24.451 1.00 0.00 O ATOM 0 H GLU A 49 20.634 -9.820 -19.863 1.00 0.00 H new ATOM 0 HA GLU A 49 23.031 -11.255 -20.295 1.00 0.00 H new ATOM 0 HB2 GLU A 49 21.257 -10.373 -21.968 1.00 0.00 H new ATOM 0 HB3 GLU A 49 22.087 -8.834 -21.855 1.00 0.00 H new ATOM 0 HG2 GLU A 49 24.279 -10.264 -22.272 1.00 0.00 H new ATOM 0 HG3 GLU A 49 23.174 -11.493 -22.854 1.00 0.00 H new ATOM 208 N LYS A 50 23.339 -8.039 -19.506 1.00 0.00 N ATOM 209 CA LYS A 50 24.287 -7.048 -19.017 1.00 0.00 C ATOM 210 C LYS A 50 24.960 -7.565 -17.745 1.00 0.00 C ATOM 211 O LYS A 50 26.169 -7.420 -17.581 1.00 0.00 O ATOM 212 CB LYS A 50 23.560 -5.727 -18.752 1.00 0.00 C ATOM 213 CG LYS A 50 23.315 -5.003 -20.077 1.00 0.00 C ATOM 214 CD LYS A 50 22.407 -3.795 -19.843 1.00 0.00 C ATOM 215 CE LYS A 50 22.430 -2.891 -21.078 1.00 0.00 C ATOM 216 NZ LYS A 50 21.242 -2.022 -21.119 1.00 0.00 N ATOM 0 H LYS A 50 22.379 -7.702 -19.580 1.00 0.00 H new ATOM 0 HA LYS A 50 25.057 -6.873 -19.768 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.612 -5.916 -18.248 1.00 0.00 H new ATOM 0 HB3 LYS A 50 24.154 -5.100 -18.087 1.00 0.00 H new ATOM 0 HG2 LYS A 50 24.263 -4.680 -20.507 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.855 -5.683 -20.794 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.388 -4.126 -19.641 1.00 0.00 H new ATOM 0 HD3 LYS A 50 22.741 -3.240 -18.967 1.00 0.00 H new ATOM 0 HE2 LYS A 50 23.332 -2.279 -21.068 1.00 0.00 H new ATOM 0 HE3 LYS A 50 22.469 -3.502 -21.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.211 -1.518 -22.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.384 -2.601 -21.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.290 -1.332 -20.343 1.00 0.00 H new ATOM 230 N LEU A 51 24.174 -8.178 -16.851 1.00 0.00 N ATOM 231 CA LEU A 51 24.699 -8.735 -15.616 1.00 0.00 C ATOM 232 C LEU A 51 25.720 -9.824 -15.945 1.00 0.00 C ATOM 233 O LEU A 51 26.814 -9.838 -15.386 1.00 0.00 O ATOM 234 CB LEU A 51 23.534 -9.294 -14.782 1.00 0.00 C ATOM 235 CG LEU A 51 24.037 -9.854 -13.441 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.544 -8.716 -12.552 1.00 0.00 C ATOM 237 CD2 LEU A 51 22.886 -10.571 -12.733 1.00 0.00 C ATOM 0 H LEU A 51 23.168 -8.297 -16.969 1.00 0.00 H new ATOM 0 HA LEU A 51 25.202 -7.963 -15.033 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.802 -8.507 -14.600 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.026 -10.080 -15.341 1.00 0.00 H new ATOM 0 HG LEU A 51 24.854 -10.551 -13.628 1.00 0.00 H new ATOM 0 HD11 LEU A 51 24.898 -9.124 -11.605 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.363 -8.200 -13.053 1.00 0.00 H new ATOM 0 HD13 LEU A 51 23.733 -8.013 -12.364 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.237 -10.970 -11.781 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.074 -9.866 -12.554 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.526 -11.388 -13.359 1.00 0.00 H new ATOM 249 N LYS A 52 25.359 -10.731 -16.861 1.00 0.00 N ATOM 250 CA LYS A 52 26.240 -11.813 -17.271 1.00 0.00 C ATOM 251 C LYS A 52 27.542 -11.244 -17.830 1.00 0.00 C ATOM 252 O LYS A 52 28.616 -11.731 -17.502 1.00 0.00 O ATOM 253 CB LYS A 52 25.528 -12.677 -18.322 1.00 0.00 C ATOM 254 CG LYS A 52 26.330 -13.961 -18.586 1.00 0.00 C ATOM 255 CD LYS A 52 27.160 -13.823 -19.869 1.00 0.00 C ATOM 256 CE LYS A 52 27.805 -15.173 -20.203 1.00 0.00 C ATOM 257 NZ LYS A 52 28.652 -15.079 -21.406 1.00 0.00 N ATOM 0 H LYS A 52 24.454 -10.730 -17.331 1.00 0.00 H new ATOM 0 HA LYS A 52 26.483 -12.434 -16.409 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.526 -12.930 -17.977 1.00 0.00 H new ATOM 0 HB3 LYS A 52 25.413 -12.114 -19.249 1.00 0.00 H new ATOM 0 HG2 LYS A 52 26.987 -14.166 -17.741 1.00 0.00 H new ATOM 0 HG3 LYS A 52 25.651 -14.809 -18.675 1.00 0.00 H new ATOM 0 HD2 LYS A 52 26.525 -13.496 -20.693 1.00 0.00 H new ATOM 0 HD3 LYS A 52 27.929 -13.062 -19.738 1.00 0.00 H new ATOM 0 HE2 LYS A 52 28.406 -15.510 -19.358 1.00 0.00 H new ATOM 0 HE3 LYS A 52 27.028 -15.921 -20.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 28.359 -15.802 -22.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 28.549 -14.135 -21.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 29.646 -15.234 -21.143 1.00 0.00 H new ATOM 271 N LYS A 53 27.439 -10.214 -18.677 1.00 0.00 N ATOM 272 CA LYS A 53 28.602 -9.591 -19.293 1.00 0.00 C ATOM 273 C LYS A 53 29.502 -8.974 -18.218 1.00 0.00 C ATOM 274 O LYS A 53 30.715 -9.165 -18.242 1.00 0.00 O ATOM 275 CB LYS A 53 28.137 -8.520 -20.291 1.00 0.00 C ATOM 276 CG LYS A 53 27.430 -9.177 -21.489 1.00 0.00 C ATOM 277 CD LYS A 53 28.461 -9.568 -22.554 1.00 0.00 C ATOM 278 CE LYS A 53 27.763 -10.260 -23.733 1.00 0.00 C ATOM 279 NZ LYS A 53 26.889 -9.325 -24.471 1.00 0.00 N ATOM 0 H LYS A 53 26.550 -9.795 -18.950 1.00 0.00 H new ATOM 0 HA LYS A 53 29.179 -10.346 -19.827 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.459 -7.823 -19.798 1.00 0.00 H new ATOM 0 HB3 LYS A 53 28.993 -7.941 -20.638 1.00 0.00 H new ATOM 0 HG2 LYS A 53 26.882 -10.060 -21.159 1.00 0.00 H new ATOM 0 HG3 LYS A 53 26.699 -8.488 -21.913 1.00 0.00 H new ATOM 0 HD2 LYS A 53 28.989 -8.681 -22.904 1.00 0.00 H new ATOM 0 HD3 LYS A 53 29.208 -10.234 -22.122 1.00 0.00 H new ATOM 0 HE2 LYS A 53 28.512 -10.671 -24.410 1.00 0.00 H new ATOM 0 HE3 LYS A 53 27.172 -11.099 -23.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 27.097 -9.385 -25.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 25.894 -9.577 -24.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 27.060 -8.354 -24.139 1.00 0.00 H new ATOM 293 N LEU A 54 28.908 -8.233 -17.276 1.00 0.00 N ATOM 294 CA LEU A 54 29.665 -7.590 -16.209 1.00 0.00 C ATOM 295 C LEU A 54 30.389 -8.643 -15.367 1.00 0.00 C ATOM 296 O LEU A 54 31.562 -8.470 -15.043 1.00 0.00 O ATOM 297 CB LEU A 54 28.719 -6.753 -15.339 1.00 0.00 C ATOM 298 CG LEU A 54 28.334 -5.458 -16.073 1.00 0.00 C ATOM 299 CD1 LEU A 54 27.055 -4.885 -15.460 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.462 -4.428 -15.941 1.00 0.00 C ATOM 0 H LEU A 54 27.902 -8.067 -17.235 1.00 0.00 H new ATOM 0 HA LEU A 54 30.415 -6.930 -16.645 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.823 -7.328 -15.105 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.200 -6.514 -14.391 1.00 0.00 H new ATOM 0 HG LEU A 54 28.170 -5.681 -17.127 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.782 -3.967 -15.980 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.248 -5.611 -15.557 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.223 -4.668 -14.405 1.00 0.00 H new ATOM 0 HD21 LEU A 54 29.182 -3.513 -16.463 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.631 -4.207 -14.887 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.376 -4.831 -16.378 1.00 0.00 H new ATOM 312 N VAL A 55 29.694 -9.733 -15.019 1.00 0.00 N ATOM 313 CA VAL A 55 30.284 -10.810 -14.231 1.00 0.00 C ATOM 314 C VAL A 55 31.385 -11.501 -15.043 1.00 0.00 C ATOM 315 O VAL A 55 32.437 -11.829 -14.507 1.00 0.00 O ATOM 316 CB VAL A 55 29.184 -11.808 -13.833 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.812 -13.078 -13.246 1.00 0.00 C ATOM 318 CG2 VAL A 55 28.270 -11.172 -12.782 1.00 0.00 C ATOM 0 H VAL A 55 28.719 -9.888 -15.274 1.00 0.00 H new ATOM 0 HA VAL A 55 30.733 -10.405 -13.324 1.00 0.00 H new ATOM 0 HB VAL A 55 28.606 -12.067 -14.720 1.00 0.00 H new ATOM 0 HG11 VAL A 55 29.024 -13.778 -12.967 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.462 -13.540 -13.990 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.397 -12.820 -12.363 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.491 -11.880 -12.501 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.856 -10.909 -11.901 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.812 -10.273 -13.195 1.00 0.00 H new ATOM 328 N GLU A 56 31.133 -11.716 -16.334 1.00 0.00 N ATOM 329 CA GLU A 56 32.087 -12.364 -17.222 1.00 0.00 C ATOM 330 C GLU A 56 33.387 -11.558 -17.275 1.00 0.00 C ATOM 331 O GLU A 56 34.475 -12.129 -17.227 1.00 0.00 O ATOM 332 CB GLU A 56 31.449 -12.482 -18.612 1.00 0.00 C ATOM 333 CG GLU A 56 32.376 -13.224 -19.573 1.00 0.00 C ATOM 334 CD GLU A 56 31.669 -13.464 -20.900 1.00 0.00 C ATOM 335 OE1 GLU A 56 31.550 -12.486 -21.668 1.00 0.00 O ATOM 336 OE2 GLU A 56 31.250 -14.621 -21.121 1.00 0.00 O ATOM 0 H GLU A 56 30.262 -11.445 -16.789 1.00 0.00 H new ATOM 0 HA GLU A 56 32.334 -13.360 -16.854 1.00 0.00 H new ATOM 0 HB2 GLU A 56 30.498 -13.009 -18.537 1.00 0.00 H new ATOM 0 HB3 GLU A 56 31.232 -11.488 -19.003 1.00 0.00 H new ATOM 0 HG2 GLU A 56 33.284 -12.644 -19.736 1.00 0.00 H new ATOM 0 HG3 GLU A 56 32.679 -14.175 -19.136 1.00 0.00 H new ATOM 343 N GLN A 57 33.267 -10.230 -17.377 1.00 0.00 N ATOM 344 CA GLN A 57 34.422 -9.349 -17.452 1.00 0.00 C ATOM 345 C GLN A 57 35.127 -9.268 -16.097 1.00 0.00 C ATOM 346 O GLN A 57 36.340 -9.448 -16.021 1.00 0.00 O ATOM 347 CB GLN A 57 33.962 -7.957 -17.902 1.00 0.00 C ATOM 348 CG GLN A 57 33.576 -7.983 -19.386 1.00 0.00 C ATOM 349 CD GLN A 57 34.802 -8.183 -20.272 1.00 0.00 C ATOM 350 OE1 GLN A 57 34.927 -9.203 -20.943 1.00 0.00 O ATOM 351 NE2 GLN A 57 35.707 -7.204 -20.275 1.00 0.00 N ATOM 0 H GLN A 57 32.370 -9.745 -17.409 1.00 0.00 H new ATOM 0 HA GLN A 57 35.133 -9.748 -18.175 1.00 0.00 H new ATOM 0 HB2 GLN A 57 33.110 -7.636 -17.302 1.00 0.00 H new ATOM 0 HB3 GLN A 57 34.759 -7.232 -17.738 1.00 0.00 H new ATOM 0 HG2 GLN A 57 32.860 -8.786 -19.564 1.00 0.00 H new ATOM 0 HG3 GLN A 57 33.080 -7.049 -19.652 1.00 0.00 H new ATOM 0 HE21 GLN A 57 35.562 -6.373 -19.701 1.00 0.00 H new ATOM 0 HE22 GLN A 57 36.545 -7.286 -20.851 1.00 0.00 H new ATOM 360 N ASN A 58 34.367 -8.986 -15.031 1.00 0.00 N ATOM 361 CA ASN A 58 34.929 -8.841 -13.694 1.00 0.00 C ATOM 362 C ASN A 58 34.988 -10.200 -12.994 1.00 0.00 C ATOM 363 O ASN A 58 36.033 -10.847 -12.982 1.00 0.00 O ATOM 364 CB ASN A 58 34.080 -7.847 -12.887 1.00 0.00 C ATOM 365 CG ASN A 58 34.138 -6.451 -13.499 1.00 0.00 C ATOM 366 OD1 ASN A 58 34.998 -5.650 -13.144 1.00 0.00 O ATOM 367 ND2 ASN A 58 33.217 -6.160 -14.418 1.00 0.00 N ATOM 0 H ASN A 58 33.357 -8.854 -15.076 1.00 0.00 H new ATOM 0 HA ASN A 58 35.946 -8.456 -13.768 1.00 0.00 H new ATOM 0 HB2 ASN A 58 33.046 -8.190 -12.854 1.00 0.00 H new ATOM 0 HB3 ASN A 58 34.437 -7.811 -11.858 1.00 0.00 H new ATOM 0 HD21 ASN A 58 33.208 -5.240 -14.857 1.00 0.00 H new ATOM 0 HD22 ASN A 58 32.521 -6.858 -14.682 1.00 0.00 H new ATOM 374 N GLY A 59 33.863 -10.623 -12.406 1.00 0.00 N ATOM 375 CA GLY A 59 33.781 -11.882 -11.684 1.00 0.00 C ATOM 376 C GLY A 59 32.752 -11.755 -10.568 1.00 0.00 C ATOM 377 O GLY A 59 32.185 -10.681 -10.367 1.00 0.00 O ATOM 0 H GLY A 59 32.989 -10.097 -12.422 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.500 -12.687 -12.364 1.00 0.00 H new ATOM 0 HA3 GLY A 59 34.755 -12.141 -11.269 1.00 0.00 H new ATOM 381 N THR A 60 32.513 -12.847 -9.834 1.00 0.00 N ATOM 382 CA THR A 60 31.560 -12.844 -8.732 1.00 0.00 C ATOM 383 C THR A 60 32.255 -12.367 -7.450 1.00 0.00 C ATOM 384 O THR A 60 32.036 -12.929 -6.378 1.00 0.00 O ATOM 385 CB THR A 60 30.990 -14.258 -8.556 1.00 0.00 C ATOM 386 OG1 THR A 60 32.045 -15.169 -8.333 1.00 0.00 O ATOM 387 CG2 THR A 60 30.224 -14.670 -9.816 1.00 0.00 C ATOM 0 H THR A 60 32.971 -13.745 -9.988 1.00 0.00 H new ATOM 0 HA THR A 60 30.739 -12.160 -8.948 1.00 0.00 H new ATOM 0 HB THR A 60 30.313 -14.266 -7.702 1.00 0.00 H new ATOM 0 HG1 THR A 60 31.680 -16.071 -8.219 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.822 -15.675 -9.685 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.406 -13.971 -9.989 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.899 -14.658 -10.672 1.00 0.00 H new ATOM 395 N ASP A 61 33.095 -11.327 -7.574 1.00 0.00 N ATOM 396 CA ASP A 61 33.828 -10.768 -6.448 1.00 0.00 C ATOM 397 C ASP A 61 32.989 -9.649 -5.812 1.00 0.00 C ATOM 398 O ASP A 61 31.840 -9.884 -5.439 1.00 0.00 O ATOM 399 CB ASP A 61 35.190 -10.267 -6.952 1.00 0.00 C ATOM 400 CG ASP A 61 36.110 -9.903 -5.793 1.00 0.00 C ATOM 401 OD1 ASP A 61 36.533 -10.842 -5.085 1.00 0.00 O ATOM 402 OD2 ASP A 61 36.370 -8.691 -5.640 1.00 0.00 O ATOM 0 H ASP A 61 33.279 -10.857 -8.460 1.00 0.00 H new ATOM 0 HA ASP A 61 34.011 -11.518 -5.678 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.660 -11.037 -7.564 1.00 0.00 H new ATOM 0 HB3 ASP A 61 35.046 -9.396 -7.592 1.00 0.00 H new ATOM 407 N ASP A 62 33.550 -8.433 -5.694 1.00 0.00 N ATOM 408 CA ASP A 62 32.822 -7.302 -5.137 1.00 0.00 C ATOM 409 C ASP A 62 31.644 -6.955 -6.041 1.00 0.00 C ATOM 410 O ASP A 62 31.821 -6.372 -7.113 1.00 0.00 O ATOM 411 CB ASP A 62 33.760 -6.096 -4.967 1.00 0.00 C ATOM 412 CG ASP A 62 33.801 -5.644 -3.513 1.00 0.00 C ATOM 413 OD1 ASP A 62 32.736 -5.193 -3.033 1.00 0.00 O ATOM 414 OD2 ASP A 62 34.888 -5.754 -2.909 1.00 0.00 O ATOM 0 H ASP A 62 34.505 -8.218 -5.980 1.00 0.00 H new ATOM 0 HA ASP A 62 32.438 -7.570 -4.153 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.764 -6.361 -5.299 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.422 -5.275 -5.599 1.00 0.00 H new ATOM 419 N TRP A 63 30.439 -7.319 -5.603 1.00 0.00 N ATOM 420 CA TRP A 63 29.229 -7.063 -6.362 1.00 0.00 C ATOM 421 C TRP A 63 28.889 -5.572 -6.356 1.00 0.00 C ATOM 422 O TRP A 63 28.039 -5.135 -7.126 1.00 0.00 O ATOM 423 CB TRP A 63 28.093 -7.898 -5.776 1.00 0.00 C ATOM 424 CG TRP A 63 28.186 -9.353 -6.104 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.679 -10.313 -5.301 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.798 -10.035 -7.330 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.632 -11.540 -5.918 1.00 0.00 N ATOM 428 CE2 TRP A 63 28.091 -11.428 -7.186 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.228 -9.624 -8.557 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.832 -12.355 -8.198 1.00 0.00 C ATOM 431 CZ3 TRP A 63 26.965 -10.556 -9.580 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.268 -11.917 -9.401 1.00 0.00 C ATOM 0 H TRP A 63 30.281 -7.797 -4.716 1.00 0.00 H new ATOM 0 HA TRP A 63 29.380 -7.350 -7.402 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.088 -7.778 -4.693 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.143 -7.512 -6.144 1.00 0.00 H new ATOM 0 HD1 TRP A 63 29.061 -10.142 -4.305 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.952 -12.413 -5.499 1.00 0.00 H new ATOM 0 HE3 TRP A 63 26.991 -8.582 -8.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 28.065 -13.400 -8.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.527 -10.222 -10.509 1.00 0.00 H new ATOM 0 HH2 TRP A 63 27.065 -12.624 -10.192 1.00 0.00 H new ATOM 443 N LYS A 64 29.557 -4.786 -5.499 1.00 0.00 N ATOM 444 CA LYS A 64 29.339 -3.349 -5.447 1.00 0.00 C ATOM 445 C LYS A 64 29.728 -2.730 -6.791 1.00 0.00 C ATOM 446 O LYS A 64 29.051 -1.826 -7.279 1.00 0.00 O ATOM 447 CB LYS A 64 30.168 -2.741 -4.303 1.00 0.00 C ATOM 448 CG LYS A 64 29.269 -1.901 -3.387 1.00 0.00 C ATOM 449 CD LYS A 64 28.382 -2.822 -2.539 1.00 0.00 C ATOM 450 CE LYS A 64 27.589 -1.990 -1.527 1.00 0.00 C ATOM 451 NZ LYS A 64 26.604 -2.823 -0.813 1.00 0.00 N ATOM 0 H LYS A 64 30.251 -5.130 -4.836 1.00 0.00 H new ATOM 0 HA LYS A 64 28.286 -3.139 -5.257 1.00 0.00 H new ATOM 0 HB2 LYS A 64 30.645 -3.535 -3.728 1.00 0.00 H new ATOM 0 HB3 LYS A 64 30.965 -2.120 -4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 64 29.881 -1.273 -2.739 1.00 0.00 H new ATOM 0 HG3 LYS A 64 28.648 -1.233 -3.985 1.00 0.00 H new ATOM 0 HD2 LYS A 64 27.699 -3.377 -3.182 1.00 0.00 H new ATOM 0 HD3 LYS A 64 28.997 -3.556 -2.018 1.00 0.00 H new ATOM 0 HE2 LYS A 64 28.273 -1.534 -0.810 1.00 0.00 H new ATOM 0 HE3 LYS A 64 27.078 -1.176 -2.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 26.326 -2.351 0.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 25.764 -2.958 -1.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 27.025 -3.748 -0.594 1.00 0.00 H new ATOM 465 N VAL A 65 30.819 -3.226 -7.389 1.00 0.00 N ATOM 466 CA VAL A 65 31.290 -2.739 -8.677 1.00 0.00 C ATOM 467 C VAL A 65 30.209 -2.969 -9.732 1.00 0.00 C ATOM 468 O VAL A 65 29.866 -2.061 -10.487 1.00 0.00 O ATOM 469 CB VAL A 65 32.586 -3.475 -9.054 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.047 -3.041 -10.449 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.682 -3.148 -8.036 1.00 0.00 C ATOM 0 H VAL A 65 31.391 -3.971 -6.991 1.00 0.00 H new ATOM 0 HA VAL A 65 31.499 -1.671 -8.621 1.00 0.00 H new ATOM 0 HB VAL A 65 32.395 -4.548 -9.053 1.00 0.00 H new ATOM 0 HG11 VAL A 65 33.966 -3.567 -10.709 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.273 -3.280 -11.179 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.230 -1.967 -10.454 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.599 -3.672 -8.307 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.866 -2.074 -8.032 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.363 -3.465 -7.043 1.00 0.00 H new ATOM 481 N ILE A 66 29.676 -4.191 -9.777 1.00 0.00 N ATOM 482 CA ILE A 66 28.643 -4.556 -10.733 1.00 0.00 C ATOM 483 C ILE A 66 27.386 -3.714 -10.487 1.00 0.00 C ATOM 484 O ILE A 66 26.764 -3.237 -11.435 1.00 0.00 O ATOM 485 CB ILE A 66 28.356 -6.062 -10.601 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.605 -6.851 -11.035 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.166 -6.445 -11.489 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.518 -8.301 -10.564 1.00 0.00 C ATOM 0 H ILE A 66 29.950 -4.949 -9.152 1.00 0.00 H new ATOM 0 HA ILE A 66 28.977 -4.355 -11.751 1.00 0.00 H new ATOM 0 HB ILE A 66 28.113 -6.299 -9.565 1.00 0.00 H new ATOM 0 HG12 ILE A 66 29.701 -6.821 -12.120 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.499 -6.382 -10.623 1.00 0.00 H new ATOM 0 HG21 ILE A 66 26.968 -7.512 -11.391 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.285 -5.882 -11.180 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.398 -6.213 -12.528 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.410 -8.841 -10.881 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.446 -8.327 -9.477 1.00 0.00 H new ATOM 0 HD13 ILE A 66 28.636 -8.772 -10.998 1.00 0.00 H new ATOM 500 N ALA A 67 27.019 -3.530 -9.212 1.00 0.00 N ATOM 501 CA ALA A 67 25.846 -2.749 -8.847 1.00 0.00 C ATOM 502 C ALA A 67 25.984 -1.311 -9.350 1.00 0.00 C ATOM 503 O ALA A 67 25.018 -0.734 -9.836 1.00 0.00 O ATOM 504 CB ALA A 67 25.674 -2.773 -7.328 1.00 0.00 C ATOM 0 H ALA A 67 27.526 -3.917 -8.416 1.00 0.00 H new ATOM 0 HA ALA A 67 24.963 -3.186 -9.313 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.796 -2.189 -7.052 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.545 -3.802 -6.993 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.558 -2.345 -6.855 1.00 0.00 H new ATOM 510 N ASN A 68 27.187 -0.733 -9.235 1.00 0.00 N ATOM 511 CA ASN A 68 27.428 0.636 -9.683 1.00 0.00 C ATOM 512 C ASN A 68 27.094 0.777 -11.173 1.00 0.00 C ATOM 513 O ASN A 68 26.617 1.826 -11.600 1.00 0.00 O ATOM 514 CB ASN A 68 28.890 1.022 -9.419 1.00 0.00 C ATOM 515 CG ASN A 68 29.032 1.756 -8.089 1.00 0.00 C ATOM 516 OD1 ASN A 68 29.144 2.978 -8.062 1.00 0.00 O ATOM 517 ND2 ASN A 68 29.027 1.010 -6.986 1.00 0.00 N ATOM 0 H ASN A 68 28.004 -1.195 -8.836 1.00 0.00 H new ATOM 0 HA ASN A 68 26.781 1.311 -9.123 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.510 0.126 -9.412 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.254 1.655 -10.228 1.00 0.00 H new ATOM 0 HD21 ASN A 68 29.119 1.452 -6.071 1.00 0.00 H new ATOM 0 HD22 ASN A 68 28.931 -0.003 -7.056 1.00 0.00 H new ATOM 524 N TYR A 69 27.346 -0.278 -11.964 1.00 0.00 N ATOM 525 CA TYR A 69 27.079 -0.250 -13.398 1.00 0.00 C ATOM 526 C TYR A 69 25.606 -0.561 -13.696 1.00 0.00 C ATOM 527 O TYR A 69 25.155 -0.341 -14.819 1.00 0.00 O ATOM 528 CB TYR A 69 27.990 -1.260 -14.106 1.00 0.00 C ATOM 529 CG TYR A 69 29.455 -0.867 -14.097 1.00 0.00 C ATOM 530 CD1 TYR A 69 29.862 0.346 -14.683 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.412 -1.717 -13.511 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.219 0.709 -14.680 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.769 -1.352 -13.510 1.00 0.00 C ATOM 534 CZ TYR A 69 32.172 -0.140 -14.093 1.00 0.00 C ATOM 535 OH TYR A 69 33.490 0.211 -14.092 1.00 0.00 O ATOM 0 H TYR A 69 27.735 -1.159 -11.627 1.00 0.00 H new ATOM 0 HA TYR A 69 27.287 0.753 -13.771 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.881 -2.233 -13.627 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.659 -1.374 -15.138 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.130 0.999 -15.136 1.00 0.00 H new ATOM 0 HD2 TYR A 69 30.103 -2.650 -13.062 1.00 0.00 H new ATOM 0 HE1 TYR A 69 31.530 1.641 -15.129 1.00 0.00 H new ATOM 0 HE2 TYR A 69 32.503 -2.005 -13.060 1.00 0.00 H new ATOM 0 HH TYR A 69 34.014 -0.486 -13.645 1.00 0.00 H new ATOM 545 N LEU A 70 24.859 -1.074 -12.702 1.00 0.00 N ATOM 546 CA LEU A 70 23.449 -1.419 -12.880 1.00 0.00 C ATOM 547 C LEU A 70 22.584 -0.599 -11.913 1.00 0.00 C ATOM 548 O LEU A 70 22.421 -0.983 -10.756 1.00 0.00 O ATOM 549 CB LEU A 70 23.255 -2.921 -12.622 1.00 0.00 C ATOM 550 CG LEU A 70 24.036 -3.760 -13.646 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.927 -5.237 -13.267 1.00 0.00 C ATOM 552 CD2 LEU A 70 23.459 -3.557 -15.052 1.00 0.00 C ATOM 0 H LEU A 70 25.217 -1.257 -11.765 1.00 0.00 H new ATOM 0 HA LEU A 70 23.145 -1.189 -13.901 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.589 -3.167 -11.614 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.195 -3.169 -12.676 1.00 0.00 H new ATOM 0 HG LEU A 70 25.080 -3.446 -13.643 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.479 -5.839 -13.989 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.345 -5.389 -12.272 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.879 -5.537 -13.270 1.00 0.00 H new ATOM 0 HD21 LEU A 70 24.022 -4.157 -15.767 1.00 0.00 H new ATOM 0 HD22 LEU A 70 22.413 -3.865 -15.064 1.00 0.00 H new ATOM 0 HD23 LEU A 70 23.531 -2.505 -15.326 1.00 0.00 H new ATOM 564 N PRO A 71 22.018 0.535 -12.373 1.00 0.00 N ATOM 565 CA PRO A 71 21.179 1.371 -11.541 1.00 0.00 C ATOM 566 C PRO A 71 19.932 0.604 -11.092 1.00 0.00 C ATOM 567 O PRO A 71 19.423 -0.239 -11.826 1.00 0.00 O ATOM 568 CB PRO A 71 20.808 2.584 -12.401 1.00 0.00 C ATOM 569 CG PRO A 71 21.452 2.372 -13.777 1.00 0.00 C ATOM 570 CD PRO A 71 22.186 1.032 -13.722 1.00 0.00 C ATOM 0 HA PRO A 71 21.694 1.681 -10.631 1.00 0.00 H new ATOM 0 HB2 PRO A 71 19.726 2.676 -12.492 1.00 0.00 H new ATOM 0 HB3 PRO A 71 21.169 3.506 -11.944 1.00 0.00 H new ATOM 0 HG2 PRO A 71 20.695 2.366 -14.561 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.144 3.182 -14.009 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.774 0.332 -14.449 1.00 0.00 H new ATOM 0 HD3 PRO A 71 23.242 1.156 -13.962 1.00 0.00 H new ATOM 578 N ASN A 72 19.448 0.912 -9.877 1.00 0.00 N ATOM 579 CA ASN A 72 18.252 0.284 -9.307 1.00 0.00 C ATOM 580 C ASN A 72 18.434 -1.232 -9.158 1.00 0.00 C ATOM 581 O ASN A 72 17.449 -1.972 -9.122 1.00 0.00 O ATOM 582 CB ASN A 72 17.030 0.601 -10.178 1.00 0.00 C ATOM 583 CG ASN A 72 16.865 2.106 -10.365 1.00 0.00 C ATOM 584 OD1 ASN A 72 17.132 2.633 -11.441 1.00 0.00 O ATOM 585 ND2 ASN A 72 16.425 2.797 -9.314 1.00 0.00 N ATOM 0 H ASN A 72 19.878 1.605 -9.264 1.00 0.00 H new ATOM 0 HA ASN A 72 18.092 0.694 -8.310 1.00 0.00 H new ATOM 0 HB2 ASN A 72 17.138 0.120 -11.150 1.00 0.00 H new ATOM 0 HB3 ASN A 72 16.133 0.188 -9.716 1.00 0.00 H new ATOM 0 HD21 ASN A 72 16.298 3.807 -9.384 1.00 0.00 H new ATOM 0 HD22 ASN A 72 16.216 2.316 -8.439 1.00 0.00 H new ATOM 592 N ARG A 73 19.690 -1.689 -9.061 1.00 0.00 N ATOM 593 CA ARG A 73 20.005 -3.103 -8.883 1.00 0.00 C ATOM 594 C ARG A 73 21.065 -3.229 -7.796 1.00 0.00 C ATOM 595 O ARG A 73 22.256 -3.082 -8.065 1.00 0.00 O ATOM 596 CB ARG A 73 20.511 -3.697 -10.202 1.00 0.00 C ATOM 597 CG ARG A 73 19.389 -3.717 -11.245 1.00 0.00 C ATOM 598 CD ARG A 73 18.390 -4.830 -10.913 1.00 0.00 C ATOM 599 NE ARG A 73 17.049 -4.281 -10.663 1.00 0.00 N ATOM 600 CZ ARG A 73 15.910 -4.886 -11.051 1.00 0.00 C ATOM 601 NH1 ARG A 73 15.918 -5.800 -12.025 1.00 0.00 N ATOM 602 NH2 ARG A 73 14.754 -4.569 -10.457 1.00 0.00 N ATOM 0 H ARG A 73 20.511 -1.086 -9.104 1.00 0.00 H new ATOM 0 HA ARG A 73 19.112 -3.653 -8.586 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.351 -3.110 -10.574 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.879 -4.709 -10.035 1.00 0.00 H new ATOM 0 HG2 ARG A 73 18.880 -2.753 -11.264 1.00 0.00 H new ATOM 0 HG3 ARG A 73 19.807 -3.876 -12.239 1.00 0.00 H new ATOM 0 HD2 ARG A 73 18.347 -5.542 -11.737 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.731 -5.379 -10.035 1.00 0.00 H new ATOM 0 HE ARG A 73 16.977 -3.392 -10.168 1.00 0.00 H new ATOM 0 HH11 ARG A 73 16.794 -6.048 -12.485 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.048 -6.250 -12.309 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.737 -3.871 -9.713 1.00 0.00 H new ATOM 0 HH22 ARG A 73 13.889 -5.025 -10.748 1.00 0.00 H new ATOM 616 N THR A 74 20.625 -3.493 -6.564 1.00 0.00 N ATOM 617 CA THR A 74 21.524 -3.614 -5.429 1.00 0.00 C ATOM 618 C THR A 74 22.477 -4.789 -5.634 1.00 0.00 C ATOM 619 O THR A 74 22.159 -5.735 -6.353 1.00 0.00 O ATOM 620 CB THR A 74 20.706 -3.805 -4.147 1.00 0.00 C ATOM 621 OG1 THR A 74 19.854 -4.923 -4.290 1.00 0.00 O ATOM 622 CG2 THR A 74 19.864 -2.555 -3.876 1.00 0.00 C ATOM 0 H THR A 74 19.641 -3.627 -6.332 1.00 0.00 H new ATOM 0 HA THR A 74 22.117 -2.704 -5.340 1.00 0.00 H new ATOM 0 HB THR A 74 21.386 -3.969 -3.311 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.333 -5.045 -3.469 1.00 0.00 H new ATOM 0 HG21 THR A 74 19.285 -2.697 -2.964 1.00 0.00 H new ATOM 0 HG22 THR A 74 20.520 -1.693 -3.759 1.00 0.00 H new ATOM 0 HG23 THR A 74 19.187 -2.384 -4.713 1.00 0.00 H new ATOM 630 N ASP A 75 23.647 -4.724 -4.992 1.00 0.00 N ATOM 631 CA ASP A 75 24.647 -5.775 -5.086 1.00 0.00 C ATOM 632 C ASP A 75 24.059 -7.101 -4.608 1.00 0.00 C ATOM 633 O ASP A 75 24.353 -8.150 -5.177 1.00 0.00 O ATOM 634 CB ASP A 75 25.873 -5.384 -4.251 1.00 0.00 C ATOM 635 CG ASP A 75 25.485 -4.997 -2.827 1.00 0.00 C ATOM 636 OD1 ASP A 75 24.896 -3.902 -2.675 1.00 0.00 O ATOM 637 OD2 ASP A 75 25.789 -5.793 -1.917 1.00 0.00 O ATOM 0 H ASP A 75 23.921 -3.942 -4.397 1.00 0.00 H new ATOM 0 HA ASP A 75 24.955 -5.898 -6.124 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.575 -6.217 -4.223 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.387 -4.549 -4.728 1.00 0.00 H new ATOM 642 N VAL A 76 23.223 -7.049 -3.566 1.00 0.00 N ATOM 643 CA VAL A 76 22.588 -8.238 -3.025 1.00 0.00 C ATOM 644 C VAL A 76 21.678 -8.867 -4.082 1.00 0.00 C ATOM 645 O VAL A 76 21.703 -10.083 -4.278 1.00 0.00 O ATOM 646 CB VAL A 76 21.787 -7.861 -1.768 1.00 0.00 C ATOM 647 CG1 VAL A 76 21.100 -9.107 -1.198 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.728 -7.273 -0.711 1.00 0.00 C ATOM 0 H VAL A 76 22.974 -6.186 -3.083 1.00 0.00 H new ATOM 0 HA VAL A 76 23.348 -8.969 -2.750 1.00 0.00 H new ATOM 0 HB VAL A 76 21.033 -7.121 -2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.534 -8.835 -0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.424 -9.523 -1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.853 -9.850 -0.936 1.00 0.00 H new ATOM 0 HG21 VAL A 76 22.156 -7.007 0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.486 -8.011 -0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.212 -6.382 -1.110 1.00 0.00 H new ATOM 658 N GLN A 77 20.870 -8.040 -4.763 1.00 0.00 N ATOM 659 CA GLN A 77 19.947 -8.533 -5.772 1.00 0.00 C ATOM 660 C GLN A 77 20.721 -9.056 -6.980 1.00 0.00 C ATOM 661 O GLN A 77 20.342 -10.067 -7.558 1.00 0.00 O ATOM 662 CB GLN A 77 18.974 -7.423 -6.182 1.00 0.00 C ATOM 663 CG GLN A 77 17.892 -8.013 -7.093 1.00 0.00 C ATOM 664 CD GLN A 77 16.831 -6.977 -7.447 1.00 0.00 C ATOM 665 OE1 GLN A 77 16.752 -6.537 -8.589 1.00 0.00 O ATOM 666 NE2 GLN A 77 16.011 -6.595 -6.469 1.00 0.00 N ATOM 0 H GLN A 77 20.844 -7.029 -4.627 1.00 0.00 H new ATOM 0 HA GLN A 77 19.368 -9.357 -5.355 1.00 0.00 H new ATOM 0 HB2 GLN A 77 18.518 -6.977 -5.298 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.509 -6.627 -6.701 1.00 0.00 H new ATOM 0 HG2 GLN A 77 18.351 -8.391 -8.006 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.421 -8.862 -6.597 1.00 0.00 H new ATOM 0 HE21 GLN A 77 16.115 -6.989 -5.534 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.280 -5.909 -6.656 1.00 0.00 H new ATOM 675 N CYS A 78 21.803 -8.370 -7.360 1.00 0.00 N ATOM 676 CA CYS A 78 22.626 -8.788 -8.488 1.00 0.00 C ATOM 677 C CYS A 78 23.229 -10.159 -8.199 1.00 0.00 C ATOM 678 O CYS A 78 23.156 -11.063 -9.032 1.00 0.00 O ATOM 679 CB CYS A 78 23.731 -7.757 -8.726 1.00 0.00 C ATOM 680 SG CYS A 78 23.003 -6.286 -9.484 1.00 0.00 S ATOM 0 H CYS A 78 22.126 -7.520 -6.898 1.00 0.00 H new ATOM 0 HA CYS A 78 22.012 -8.857 -9.386 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.213 -7.497 -7.784 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.502 -8.173 -9.374 1.00 0.00 H new ATOM 0 HG CYS A 78 22.428 -5.565 -8.568 1.00 0.00 H new ATOM 686 N GLN A 79 23.825 -10.310 -7.010 1.00 0.00 N ATOM 687 CA GLN A 79 24.438 -11.560 -6.604 1.00 0.00 C ATOM 688 C GLN A 79 23.405 -12.681 -6.629 1.00 0.00 C ATOM 689 O GLN A 79 23.633 -13.718 -7.251 1.00 0.00 O ATOM 690 CB GLN A 79 25.032 -11.402 -5.202 1.00 0.00 C ATOM 691 CG GLN A 79 25.676 -12.721 -4.768 1.00 0.00 C ATOM 692 CD GLN A 79 26.583 -12.523 -3.560 1.00 0.00 C ATOM 693 OE1 GLN A 79 26.380 -11.607 -2.769 1.00 0.00 O ATOM 694 NE2 GLN A 79 27.588 -13.386 -3.421 1.00 0.00 N ATOM 0 H GLN A 79 23.891 -9.568 -6.313 1.00 0.00 H new ATOM 0 HA GLN A 79 25.237 -11.818 -7.299 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.775 -10.604 -5.198 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.253 -11.116 -4.496 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.898 -13.446 -4.527 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.253 -13.136 -5.595 1.00 0.00 H new ATOM 0 HE21 GLN A 79 27.718 -14.132 -4.104 1.00 0.00 H new ATOM 0 HE22 GLN A 79 28.228 -13.301 -2.631 1.00 0.00 H new ATOM 703 N HIS A 80 22.270 -12.469 -5.951 1.00 0.00 N ATOM 704 CA HIS A 80 21.207 -13.460 -5.898 1.00 0.00 C ATOM 705 C HIS A 80 20.758 -13.819 -7.306 1.00 0.00 C ATOM 706 O HIS A 80 20.722 -14.989 -7.662 1.00 0.00 O ATOM 707 CB HIS A 80 20.029 -12.905 -5.095 1.00 0.00 C ATOM 708 CG HIS A 80 20.274 -12.908 -3.611 1.00 0.00 C ATOM 709 ND1 HIS A 80 19.384 -12.341 -2.710 1.00 0.00 N ATOM 710 CD2 HIS A 80 21.291 -13.407 -2.835 1.00 0.00 C ATOM 711 CE1 HIS A 80 19.902 -12.529 -1.482 1.00 0.00 C ATOM 712 NE2 HIS A 80 21.068 -13.175 -1.487 1.00 0.00 N ATOM 0 H HIS A 80 22.071 -11.614 -5.432 1.00 0.00 H new ATOM 0 HA HIS A 80 21.580 -14.361 -5.410 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.823 -11.886 -5.421 1.00 0.00 H new ATOM 0 HB3 HIS A 80 19.139 -13.495 -5.312 1.00 0.00 H new ATOM 0 HD2 HIS A 80 22.158 -13.918 -3.227 1.00 0.00 H new ATOM 0 HE1 HIS A 80 19.419 -12.189 -0.578 1.00 0.00 H new ATOM 0 HE2 HIS A 80 21.653 -13.435 -0.693 1.00 0.00 H new ATOM 720 N ARG A 81 20.409 -12.807 -8.102 1.00 0.00 N ATOM 721 CA ARG A 81 19.936 -13.020 -9.456 1.00 0.00 C ATOM 722 C ARG A 81 20.888 -13.942 -10.207 1.00 0.00 C ATOM 723 O ARG A 81 20.445 -14.876 -10.859 1.00 0.00 O ATOM 724 CB ARG A 81 19.801 -11.670 -10.175 1.00 0.00 C ATOM 725 CG ARG A 81 19.371 -11.877 -11.639 1.00 0.00 C ATOM 726 CD ARG A 81 17.998 -12.558 -11.698 1.00 0.00 C ATOM 727 NE ARG A 81 17.483 -12.579 -13.072 1.00 0.00 N ATOM 728 CZ ARG A 81 16.294 -13.109 -13.402 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.524 -13.672 -12.460 1.00 0.00 N ATOM 730 NH2 ARG A 81 15.874 -13.074 -14.672 1.00 0.00 N ATOM 0 H ARG A 81 20.448 -11.827 -7.822 1.00 0.00 H new ATOM 0 HA ARG A 81 18.957 -13.497 -9.425 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.069 -11.049 -9.659 1.00 0.00 H new ATOM 0 HB3 ARG A 81 20.751 -11.137 -10.141 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.331 -10.917 -12.153 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.110 -12.486 -12.160 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.076 -13.577 -11.319 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.298 -12.030 -11.051 1.00 0.00 H new ATOM 0 HE ARG A 81 18.055 -12.172 -13.812 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.841 -13.698 -11.491 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.621 -14.074 -12.712 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.457 -12.645 -15.390 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.971 -13.477 -14.922 1.00 0.00 H new ATOM 744 N TRP A 82 22.195 -13.683 -10.127 1.00 0.00 N ATOM 745 CA TRP A 82 23.157 -14.491 -10.847 1.00 0.00 C ATOM 746 C TRP A 82 23.354 -15.857 -10.179 1.00 0.00 C ATOM 747 O TRP A 82 22.898 -16.868 -10.697 1.00 0.00 O ATOM 748 CB TRP A 82 24.494 -13.758 -10.967 1.00 0.00 C ATOM 749 CG TRP A 82 25.519 -14.548 -11.717 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.580 -15.169 -11.179 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.567 -14.863 -13.140 1.00 0.00 C ATOM 752 NE1 TRP A 82 27.282 -15.858 -12.136 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.695 -15.709 -13.377 1.00 0.00 C ATOM 754 CE3 TRP A 82 24.768 -14.537 -14.261 1.00 0.00 C ATOM 755 CZ2 TRP A 82 27.004 -16.209 -14.644 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.079 -15.039 -15.542 1.00 0.00 C ATOM 757 CH2 TRP A 82 26.189 -15.880 -15.729 1.00 0.00 C ATOM 0 H TRP A 82 22.599 -12.927 -9.575 1.00 0.00 H new ATOM 0 HA TRP A 82 22.761 -14.662 -11.848 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.337 -12.804 -11.470 1.00 0.00 H new ATOM 0 HB3 TRP A 82 24.872 -13.534 -9.969 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.846 -15.132 -10.133 1.00 0.00 H new ATOM 0 HE1 TRP A 82 28.123 -16.406 -11.955 1.00 0.00 H new ATOM 0 HE3 TRP A 82 23.909 -13.895 -14.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 27.866 -16.845 -14.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 24.459 -14.775 -16.386 1.00 0.00 H new ATOM 0 HH2 TRP A 82 26.412 -16.271 -16.711 1.00 0.00 H new ATOM 768 N GLN A 83 24.059 -15.883 -9.044 1.00 0.00 N ATOM 769 CA GLN A 83 24.434 -17.129 -8.378 1.00 0.00 C ATOM 770 C GLN A 83 23.226 -18.009 -8.034 1.00 0.00 C ATOM 771 O GLN A 83 23.330 -19.233 -8.098 1.00 0.00 O ATOM 772 CB GLN A 83 25.227 -16.804 -7.106 1.00 0.00 C ATOM 773 CG GLN A 83 26.555 -16.132 -7.476 1.00 0.00 C ATOM 774 CD GLN A 83 27.510 -16.098 -6.284 1.00 0.00 C ATOM 775 OE1 GLN A 83 27.843 -15.029 -5.781 1.00 0.00 O ATOM 776 NE2 GLN A 83 27.952 -17.273 -5.835 1.00 0.00 N ATOM 0 H GLN A 83 24.384 -15.043 -8.564 1.00 0.00 H new ATOM 0 HA GLN A 83 25.048 -17.700 -9.074 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.644 -16.146 -6.462 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.416 -17.717 -6.542 1.00 0.00 H new ATOM 0 HG2 GLN A 83 27.020 -16.670 -8.302 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.367 -15.116 -7.823 1.00 0.00 H new ATOM 0 HE21 GLN A 83 27.649 -18.137 -6.284 1.00 0.00 H new ATOM 0 HE22 GLN A 83 28.593 -17.308 -5.043 1.00 0.00 H new ATOM 785 N LYS A 84 22.097 -17.407 -7.648 1.00 0.00 N ATOM 786 CA LYS A 84 20.935 -18.175 -7.207 1.00 0.00 C ATOM 787 C LYS A 84 20.012 -18.566 -8.374 1.00 0.00 C ATOM 788 O LYS A 84 19.034 -19.278 -8.146 1.00 0.00 O ATOM 789 CB LYS A 84 20.164 -17.357 -6.159 1.00 0.00 C ATOM 790 CG LYS A 84 19.513 -18.294 -5.138 1.00 0.00 C ATOM 791 CD LYS A 84 18.781 -17.466 -4.079 1.00 0.00 C ATOM 792 CE LYS A 84 18.128 -18.400 -3.058 1.00 0.00 C ATOM 793 NZ LYS A 84 17.420 -17.635 -2.016 1.00 0.00 N ATOM 0 H LYS A 84 21.966 -16.396 -7.633 1.00 0.00 H new ATOM 0 HA LYS A 84 21.290 -19.107 -6.768 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.841 -16.669 -5.653 1.00 0.00 H new ATOM 0 HB3 LYS A 84 19.401 -16.752 -6.648 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.814 -18.964 -5.638 1.00 0.00 H new ATOM 0 HG3 LYS A 84 20.272 -18.919 -4.666 1.00 0.00 H new ATOM 0 HD2 LYS A 84 19.481 -16.796 -3.579 1.00 0.00 H new ATOM 0 HD3 LYS A 84 18.023 -16.841 -4.551 1.00 0.00 H new ATOM 0 HE2 LYS A 84 17.428 -19.065 -3.564 1.00 0.00 H new ATOM 0 HE3 LYS A 84 18.889 -19.030 -2.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 16.986 -18.293 -1.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 18.094 -17.019 -1.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.679 -17.053 -2.456 1.00 0.00 H new ATOM 807 N VAL A 85 20.299 -18.117 -9.614 1.00 0.00 N ATOM 808 CA VAL A 85 19.442 -18.451 -10.757 1.00 0.00 C ATOM 809 C VAL A 85 20.289 -18.831 -11.979 1.00 0.00 C ATOM 810 O VAL A 85 20.211 -19.965 -12.450 1.00 0.00 O ATOM 811 CB VAL A 85 18.498 -17.275 -11.084 1.00 0.00 C ATOM 812 CG1 VAL A 85 17.333 -17.782 -11.938 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.944 -16.651 -9.793 1.00 0.00 C ATOM 0 H VAL A 85 21.104 -17.533 -9.841 1.00 0.00 H new ATOM 0 HA VAL A 85 18.832 -19.314 -10.490 1.00 0.00 H new ATOM 0 HB VAL A 85 19.060 -16.517 -11.629 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.664 -16.953 -12.170 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.719 -18.208 -12.864 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.785 -18.547 -11.388 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.281 -15.824 -10.044 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.389 -17.404 -9.234 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.769 -16.282 -9.184 1.00 0.00 H new ATOM 823 N LEU A 86 21.090 -17.890 -12.500 1.00 0.00 N ATOM 824 CA LEU A 86 21.915 -18.149 -13.678 1.00 0.00 C ATOM 825 C LEU A 86 22.981 -19.191 -13.344 1.00 0.00 C ATOM 826 O LEU A 86 23.535 -19.193 -12.246 1.00 0.00 O ATOM 827 CB LEU A 86 22.600 -16.854 -14.153 1.00 0.00 C ATOM 828 CG LEU A 86 21.659 -15.955 -14.988 1.00 0.00 C ATOM 829 CD1 LEU A 86 21.035 -16.743 -16.143 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.560 -15.363 -14.108 1.00 0.00 C ATOM 0 H LEU A 86 21.181 -16.947 -12.122 1.00 0.00 H new ATOM 0 HA LEU A 86 21.272 -18.523 -14.475 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.955 -16.296 -13.286 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.476 -17.109 -14.749 1.00 0.00 H new ATOM 0 HG LEU A 86 22.254 -15.142 -15.403 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.377 -16.089 -16.716 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.824 -17.123 -16.792 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.459 -17.578 -15.744 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.908 -14.734 -14.714 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.976 -16.169 -13.664 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.011 -14.763 -13.317 1.00 0.00 H new