USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=7 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= 0.866 K(o=1.5,f=-0.57) USER MOD Set 1.2: A 83 GLN : amide:sc= 0.623 K(o=1.5,f=-2.3!) USER MOD Set 2.1: A 57 GLN : amide:sc= 0.0306 X(o=0.81,f=0.88) USER MOD Set 2.2: A 58 ASN : amide:sc= 0.781 X(o=0.81,f=0.88) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0251 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= -0.187 (180deg=-0.187) USER MOD Single : A 52 LYS NZ :NH3+ 169:sc= 1.27 (180deg=1.17) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot -98:sc= 0.249 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0.938 K(o=0.94,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.32 X(o=-0.32,f=-0.21) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 77 GLN : amide:sc= 0.461 K(o=0.46,f=-4!) USER MOD Single : A 78 CYS SG : rot 85:sc= 0.407 USER MOD Single : A 80 HIS : no HD1:sc= -0.0925 X(o=-0.092,f=-0.0036) USER MOD Single : A 84 LYS NZ :NH3+ 169:sc=-0.00891 (180deg=-0.145) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.029 -8.238 -13.365 1.00 0.00 N ATOM 90 CA TRP A 43 14.196 -8.346 -14.225 1.00 0.00 C ATOM 91 C TRP A 43 13.747 -8.544 -15.672 1.00 0.00 C ATOM 92 O TRP A 43 12.570 -8.801 -15.930 1.00 0.00 O ATOM 93 CB TRP A 43 15.064 -9.517 -13.745 1.00 0.00 C ATOM 94 CG TRP A 43 16.016 -9.155 -12.650 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.746 -9.156 -11.333 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.394 -8.704 -12.760 1.00 0.00 C ATOM 97 NE1 TRP A 43 16.833 -8.732 -10.608 1.00 0.00 N ATOM 98 CE2 TRP A 43 17.891 -8.431 -11.445 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.278 -8.486 -13.837 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.188 -7.958 -11.220 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.586 -8.008 -13.616 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.036 -7.739 -12.314 1.00 0.00 C ATOM 0 HA TRP A 43 14.789 -7.433 -14.177 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.414 -10.320 -13.398 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.630 -9.908 -14.591 1.00 0.00 H new ATOM 0 HD1 TRP A 43 14.800 -9.451 -10.902 1.00 0.00 H new ATOM 0 HE1 TRP A 43 16.856 -8.650 -9.592 1.00 0.00 H new ATOM 0 HE3 TRP A 43 17.948 -8.688 -14.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.532 -7.764 -10.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.247 -7.848 -14.455 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.036 -7.363 -12.155 1.00 0.00 H new ATOM 113 N THR A 44 14.689 -8.416 -16.616 1.00 0.00 N ATOM 114 CA THR A 44 14.396 -8.564 -18.035 1.00 0.00 C ATOM 115 C THR A 44 15.585 -9.227 -18.730 1.00 0.00 C ATOM 116 O THR A 44 16.716 -9.105 -18.269 1.00 0.00 O ATOM 117 CB THR A 44 14.099 -7.179 -18.633 1.00 0.00 C ATOM 118 OG1 THR A 44 13.106 -6.537 -17.859 1.00 0.00 O ATOM 119 CG2 THR A 44 13.598 -7.320 -20.072 1.00 0.00 C ATOM 0 H THR A 44 15.667 -8.208 -16.413 1.00 0.00 H new ATOM 0 HA THR A 44 13.521 -9.197 -18.180 1.00 0.00 H new ATOM 0 HB THR A 44 15.016 -6.589 -18.629 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.916 -5.653 -18.238 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.391 -6.332 -20.484 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.360 -7.813 -20.676 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.685 -7.916 -20.083 1.00 0.00 H new ATOM 127 N ARG A 45 15.315 -9.934 -19.839 1.00 0.00 N ATOM 128 CA ARG A 45 16.342 -10.648 -20.593 1.00 0.00 C ATOM 129 C ARG A 45 17.544 -9.743 -20.882 1.00 0.00 C ATOM 130 O ARG A 45 18.682 -10.152 -20.684 1.00 0.00 O ATOM 131 CB ARG A 45 15.726 -11.172 -21.899 1.00 0.00 C ATOM 132 CG ARG A 45 16.739 -12.051 -22.648 1.00 0.00 C ATOM 133 CD ARG A 45 17.301 -11.291 -23.855 1.00 0.00 C ATOM 134 NE ARG A 45 18.381 -12.052 -24.501 1.00 0.00 N ATOM 135 CZ ARG A 45 18.174 -13.088 -25.329 1.00 0.00 C ATOM 136 NH1 ARG A 45 16.928 -13.476 -25.639 1.00 0.00 N ATOM 137 NH2 ARG A 45 19.224 -13.734 -25.845 1.00 0.00 N ATOM 0 H ARG A 45 14.378 -10.023 -20.233 1.00 0.00 H new ATOM 0 HA ARG A 45 16.705 -11.487 -19.999 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.826 -11.747 -21.680 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.424 -10.335 -22.529 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.550 -12.337 -21.978 1.00 0.00 H new ATOM 0 HG3 ARG A 45 16.259 -12.972 -22.979 1.00 0.00 H new ATOM 0 HD2 ARG A 45 16.504 -11.103 -24.574 1.00 0.00 H new ATOM 0 HD3 ARG A 45 17.677 -10.320 -23.534 1.00 0.00 H new ATOM 0 HE ARG A 45 19.344 -11.776 -24.309 1.00 0.00 H new ATOM 0 HH11 ARG A 45 16.127 -12.983 -25.245 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.781 -14.264 -26.269 1.00 0.00 H new ATOM 0 HH21 ARG A 45 20.171 -13.438 -25.609 1.00 0.00 H new ATOM 0 HH22 ARG A 45 19.078 -14.523 -26.475 1.00 0.00 H new ATOM 151 N GLU A 46 17.292 -8.516 -21.353 1.00 0.00 N ATOM 152 CA GLU A 46 18.361 -7.577 -21.669 1.00 0.00 C ATOM 153 C GLU A 46 19.225 -7.338 -20.427 1.00 0.00 C ATOM 154 O GLU A 46 20.450 -7.424 -20.491 1.00 0.00 O ATOM 155 CB GLU A 46 17.744 -6.263 -22.174 1.00 0.00 C ATOM 156 CG GLU A 46 18.738 -5.517 -23.077 1.00 0.00 C ATOM 157 CD GLU A 46 19.950 -5.017 -22.296 1.00 0.00 C ATOM 158 OE1 GLU A 46 19.732 -4.364 -21.250 1.00 0.00 O ATOM 159 OE2 GLU A 46 21.078 -5.291 -22.759 1.00 0.00 O ATOM 0 H GLU A 46 16.353 -8.155 -21.522 1.00 0.00 H new ATOM 0 HA GLU A 46 19.000 -7.987 -22.451 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.828 -6.473 -22.726 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.469 -5.634 -21.327 1.00 0.00 H new ATOM 0 HG2 GLU A 46 19.069 -6.179 -23.877 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.236 -4.672 -23.549 1.00 0.00 H new ATOM 166 N GLU A 47 18.576 -7.039 -19.298 1.00 0.00 N ATOM 167 CA GLU A 47 19.271 -6.770 -18.049 1.00 0.00 C ATOM 168 C GLU A 47 20.062 -8.008 -17.612 1.00 0.00 C ATOM 169 O GLU A 47 21.166 -7.881 -17.093 1.00 0.00 O ATOM 170 CB GLU A 47 18.245 -6.376 -16.978 1.00 0.00 C ATOM 171 CG GLU A 47 18.523 -4.955 -16.481 1.00 0.00 C ATOM 172 CD GLU A 47 17.383 -4.452 -15.600 1.00 0.00 C ATOM 173 OE1 GLU A 47 16.423 -5.236 -15.400 1.00 0.00 O ATOM 174 OE2 GLU A 47 17.489 -3.298 -15.138 1.00 0.00 O ATOM 0 H GLU A 47 17.560 -6.978 -19.230 1.00 0.00 H new ATOM 0 HA GLU A 47 19.974 -5.949 -18.188 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.237 -6.435 -17.389 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.291 -7.077 -16.144 1.00 0.00 H new ATOM 0 HG2 GLU A 47 19.457 -4.939 -15.919 1.00 0.00 H new ATOM 0 HG3 GLU A 47 18.652 -4.287 -17.332 1.00 0.00 H new ATOM 181 N ASP A 48 19.495 -9.205 -17.825 1.00 0.00 N ATOM 182 CA ASP A 48 20.157 -10.452 -17.460 1.00 0.00 C ATOM 183 C ASP A 48 21.415 -10.634 -18.305 1.00 0.00 C ATOM 184 O ASP A 48 22.457 -11.017 -17.783 1.00 0.00 O ATOM 185 CB ASP A 48 19.199 -11.633 -17.660 1.00 0.00 C ATOM 186 CG ASP A 48 18.077 -11.619 -16.631 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.379 -11.308 -15.461 1.00 0.00 O ATOM 188 OD2 ASP A 48 16.933 -11.926 -17.028 1.00 0.00 O ATOM 0 H ASP A 48 18.576 -9.329 -18.250 1.00 0.00 H new ATOM 0 HA ASP A 48 20.443 -10.414 -16.409 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.775 -11.593 -18.663 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.752 -12.569 -17.584 1.00 0.00 H new ATOM 193 N GLU A 49 21.318 -10.356 -19.610 1.00 0.00 N ATOM 194 CA GLU A 49 22.459 -10.470 -20.507 1.00 0.00 C ATOM 195 C GLU A 49 23.529 -9.463 -20.085 1.00 0.00 C ATOM 196 O GLU A 49 24.720 -9.773 -20.096 1.00 0.00 O ATOM 197 CB GLU A 49 22.010 -10.215 -21.950 1.00 0.00 C ATOM 198 CG GLU A 49 20.989 -11.278 -22.382 1.00 0.00 C ATOM 199 CD GLU A 49 21.617 -12.313 -23.310 1.00 0.00 C ATOM 200 OE1 GLU A 49 22.558 -12.996 -22.850 1.00 0.00 O ATOM 201 OE2 GLU A 49 21.140 -12.405 -24.464 1.00 0.00 O ATOM 0 H GLU A 49 20.457 -10.050 -20.063 1.00 0.00 H new ATOM 0 HA GLU A 49 22.878 -11.475 -20.452 1.00 0.00 H new ATOM 0 HB2 GLU A 49 21.569 -9.222 -22.031 1.00 0.00 H new ATOM 0 HB3 GLU A 49 22.872 -10.236 -22.616 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.586 -11.776 -21.500 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.152 -10.796 -22.887 1.00 0.00 H new ATOM 208 N LYS A 50 23.094 -8.256 -19.704 1.00 0.00 N ATOM 209 CA LYS A 50 23.997 -7.214 -19.249 1.00 0.00 C ATOM 210 C LYS A 50 24.718 -7.681 -17.981 1.00 0.00 C ATOM 211 O LYS A 50 25.936 -7.549 -17.873 1.00 0.00 O ATOM 212 CB LYS A 50 23.190 -5.936 -18.990 1.00 0.00 C ATOM 213 CG LYS A 50 24.125 -4.724 -18.943 1.00 0.00 C ATOM 214 CD LYS A 50 23.303 -3.441 -18.741 1.00 0.00 C ATOM 215 CE LYS A 50 23.090 -2.724 -20.082 1.00 0.00 C ATOM 216 NZ LYS A 50 22.301 -3.545 -21.019 1.00 0.00 N ATOM 0 H LYS A 50 22.111 -7.984 -19.705 1.00 0.00 H new ATOM 0 HA LYS A 50 24.750 -7.004 -20.009 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.446 -5.801 -19.775 1.00 0.00 H new ATOM 0 HB3 LYS A 50 22.648 -6.024 -18.049 1.00 0.00 H new ATOM 0 HG2 LYS A 50 24.843 -4.838 -18.131 1.00 0.00 H new ATOM 0 HG3 LYS A 50 24.697 -4.658 -19.868 1.00 0.00 H new ATOM 0 HD2 LYS A 50 22.339 -3.686 -18.295 1.00 0.00 H new ATOM 0 HD3 LYS A 50 23.817 -2.778 -18.045 1.00 0.00 H new ATOM 0 HE2 LYS A 50 22.581 -1.776 -19.911 1.00 0.00 H new ATOM 0 HE3 LYS A 50 24.057 -2.491 -20.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 22.177 -3.029 -21.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 22.799 -4.439 -21.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.369 -3.747 -20.604 1.00 0.00 H new ATOM 230 N LEU A 51 23.956 -8.235 -17.027 1.00 0.00 N ATOM 231 CA LEU A 51 24.511 -8.738 -15.780 1.00 0.00 C ATOM 232 C LEU A 51 25.516 -9.847 -16.079 1.00 0.00 C ATOM 233 O LEU A 51 26.612 -9.849 -15.537 1.00 0.00 O ATOM 234 CB LEU A 51 23.367 -9.250 -14.888 1.00 0.00 C ATOM 235 CG LEU A 51 23.918 -9.909 -13.610 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.680 -8.881 -12.771 1.00 0.00 C ATOM 237 CD2 LEU A 51 22.756 -10.464 -12.785 1.00 0.00 C ATOM 0 H LEU A 51 22.945 -8.343 -17.105 1.00 0.00 H new ATOM 0 HA LEU A 51 25.033 -7.940 -15.251 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.711 -8.422 -14.621 1.00 0.00 H new ATOM 0 HB3 LEU A 51 22.763 -9.969 -15.441 1.00 0.00 H new ATOM 0 HG LEU A 51 24.596 -10.715 -13.892 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.064 -9.360 -11.870 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.511 -8.481 -13.352 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.008 -8.069 -12.492 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.143 -10.931 -11.880 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.081 -9.652 -12.514 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.214 -11.205 -13.372 1.00 0.00 H new ATOM 249 N LYS A 52 25.134 -10.786 -16.950 1.00 0.00 N ATOM 250 CA LYS A 52 25.995 -11.893 -17.335 1.00 0.00 C ATOM 251 C LYS A 52 27.328 -11.356 -17.856 1.00 0.00 C ATOM 252 O LYS A 52 28.389 -11.790 -17.413 1.00 0.00 O ATOM 253 CB LYS A 52 25.279 -12.719 -18.408 1.00 0.00 C ATOM 254 CG LYS A 52 26.160 -13.893 -18.855 1.00 0.00 C ATOM 255 CD LYS A 52 25.345 -14.857 -19.729 1.00 0.00 C ATOM 256 CE LYS A 52 24.615 -14.078 -20.829 1.00 0.00 C ATOM 257 NZ LYS A 52 24.052 -14.981 -21.846 1.00 0.00 N ATOM 0 H LYS A 52 24.220 -10.795 -17.403 1.00 0.00 H new ATOM 0 HA LYS A 52 26.203 -12.528 -16.474 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.333 -13.094 -18.017 1.00 0.00 H new ATOM 0 HB3 LYS A 52 25.042 -12.087 -19.264 1.00 0.00 H new ATOM 0 HG2 LYS A 52 27.020 -13.522 -19.413 1.00 0.00 H new ATOM 0 HG3 LYS A 52 26.549 -14.419 -17.983 1.00 0.00 H new ATOM 0 HD2 LYS A 52 26.004 -15.602 -20.176 1.00 0.00 H new ATOM 0 HD3 LYS A 52 24.624 -15.397 -19.115 1.00 0.00 H new ATOM 0 HE2 LYS A 52 23.816 -13.484 -20.386 1.00 0.00 H new ATOM 0 HE3 LYS A 52 25.306 -13.381 -21.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 23.412 -14.447 -22.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 24.823 -15.391 -22.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 23.522 -15.744 -21.378 1.00 0.00 H new ATOM 271 N LYS A 53 27.268 -10.411 -18.800 1.00 0.00 N ATOM 272 CA LYS A 53 28.463 -9.823 -19.381 1.00 0.00 C ATOM 273 C LYS A 53 29.326 -9.189 -18.288 1.00 0.00 C ATOM 274 O LYS A 53 30.531 -9.420 -18.240 1.00 0.00 O ATOM 275 CB LYS A 53 28.053 -8.781 -20.428 1.00 0.00 C ATOM 276 CG LYS A 53 29.294 -8.259 -21.159 1.00 0.00 C ATOM 277 CD LYS A 53 28.867 -7.294 -22.267 1.00 0.00 C ATOM 278 CE LYS A 53 30.107 -6.763 -22.992 1.00 0.00 C ATOM 279 NZ LYS A 53 29.731 -5.845 -24.082 1.00 0.00 N ATOM 0 H LYS A 53 26.395 -10.040 -19.175 1.00 0.00 H new ATOM 0 HA LYS A 53 29.055 -10.599 -19.866 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.359 -9.224 -21.142 1.00 0.00 H new ATOM 0 HB3 LYS A 53 27.530 -7.955 -19.946 1.00 0.00 H new ATOM 0 HG2 LYS A 53 29.956 -7.753 -20.457 1.00 0.00 H new ATOM 0 HG3 LYS A 53 29.856 -9.091 -21.584 1.00 0.00 H new ATOM 0 HD2 LYS A 53 28.211 -7.803 -22.973 1.00 0.00 H new ATOM 0 HD3 LYS A 53 28.299 -6.466 -21.843 1.00 0.00 H new ATOM 0 HE2 LYS A 53 30.753 -6.245 -22.283 1.00 0.00 H new ATOM 0 HE3 LYS A 53 30.681 -7.597 -23.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 30.589 -5.500 -24.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 29.134 -6.348 -24.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 29.204 -5.039 -23.690 1.00 0.00 H new ATOM 293 N LEU A 54 28.707 -8.388 -17.413 1.00 0.00 N ATOM 294 CA LEU A 54 29.423 -7.709 -16.340 1.00 0.00 C ATOM 295 C LEU A 54 30.055 -8.723 -15.382 1.00 0.00 C ATOM 296 O LEU A 54 31.168 -8.508 -14.906 1.00 0.00 O ATOM 297 CB LEU A 54 28.458 -6.788 -15.584 1.00 0.00 C ATOM 298 CG LEU A 54 28.096 -5.570 -16.448 1.00 0.00 C ATOM 299 CD1 LEU A 54 26.851 -4.895 -15.870 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.257 -4.569 -16.456 1.00 0.00 C ATOM 0 H LEU A 54 27.705 -8.197 -17.432 1.00 0.00 H new ATOM 0 HA LEU A 54 30.225 -7.112 -16.773 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.554 -7.336 -15.319 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.915 -6.458 -14.651 1.00 0.00 H new ATOM 0 HG LEU A 54 27.901 -5.899 -17.469 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.590 -4.030 -16.480 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.021 -5.602 -15.869 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.053 -4.572 -14.849 1.00 0.00 H new ATOM 0 HD21 LEU A 54 28.992 -3.709 -17.071 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.459 -4.238 -15.437 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.147 -5.047 -16.866 1.00 0.00 H new ATOM 312 N VAL A 55 29.346 -9.822 -15.098 1.00 0.00 N ATOM 313 CA VAL A 55 29.841 -10.851 -14.193 1.00 0.00 C ATOM 314 C VAL A 55 31.099 -11.491 -14.773 1.00 0.00 C ATOM 315 O VAL A 55 32.105 -11.595 -14.086 1.00 0.00 O ATOM 316 CB VAL A 55 28.740 -11.901 -13.951 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.349 -13.190 -13.387 1.00 0.00 C ATOM 318 CG2 VAL A 55 27.725 -11.352 -12.948 1.00 0.00 C ATOM 0 H VAL A 55 28.423 -10.017 -15.487 1.00 0.00 H new ATOM 0 HA VAL A 55 30.102 -10.403 -13.234 1.00 0.00 H new ATOM 0 HB VAL A 55 28.250 -12.120 -14.900 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.560 -13.923 -13.221 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.073 -13.591 -14.096 1.00 0.00 H new ATOM 0 HG13 VAL A 55 29.848 -12.974 -12.442 1.00 0.00 H new ATOM 0 HG21 VAL A 55 26.945 -12.094 -12.776 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.228 -11.129 -12.007 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.277 -10.441 -13.345 1.00 0.00 H new ATOM 328 N GLU A 56 31.042 -11.920 -16.034 1.00 0.00 N ATOM 329 CA GLU A 56 32.183 -12.557 -16.679 1.00 0.00 C ATOM 330 C GLU A 56 33.328 -11.553 -16.857 1.00 0.00 C ATOM 331 O GLU A 56 34.496 -11.920 -16.752 1.00 0.00 O ATOM 332 CB GLU A 56 31.747 -13.123 -18.036 1.00 0.00 C ATOM 333 CG GLU A 56 30.704 -14.234 -17.839 1.00 0.00 C ATOM 334 CD GLU A 56 31.279 -15.395 -17.036 1.00 0.00 C ATOM 335 OE1 GLU A 56 32.249 -16.004 -17.536 1.00 0.00 O ATOM 336 OE2 GLU A 56 30.737 -15.651 -15.939 1.00 0.00 O ATOM 0 H GLU A 56 30.216 -11.836 -16.627 1.00 0.00 H new ATOM 0 HA GLU A 56 32.544 -13.371 -16.050 1.00 0.00 H new ATOM 0 HB2 GLU A 56 31.329 -12.327 -18.652 1.00 0.00 H new ATOM 0 HB3 GLU A 56 32.612 -13.517 -18.568 1.00 0.00 H new ATOM 0 HG2 GLU A 56 29.832 -13.830 -17.325 1.00 0.00 H new ATOM 0 HG3 GLU A 56 30.364 -14.593 -18.810 1.00 0.00 H new ATOM 343 N GLN A 57 32.987 -10.290 -17.133 1.00 0.00 N ATOM 344 CA GLN A 57 33.974 -9.244 -17.361 1.00 0.00 C ATOM 345 C GLN A 57 34.737 -8.912 -16.075 1.00 0.00 C ATOM 346 O GLN A 57 35.957 -9.054 -16.023 1.00 0.00 O ATOM 347 CB GLN A 57 33.250 -7.998 -17.893 1.00 0.00 C ATOM 348 CG GLN A 57 34.237 -6.841 -18.080 1.00 0.00 C ATOM 349 CD GLN A 57 33.509 -5.585 -18.546 1.00 0.00 C ATOM 350 OE1 GLN A 57 32.898 -4.886 -17.740 1.00 0.00 O ATOM 351 NE2 GLN A 57 33.572 -5.300 -19.847 1.00 0.00 N ATOM 0 H GLN A 57 32.021 -9.971 -17.203 1.00 0.00 H new ATOM 0 HA GLN A 57 34.705 -9.592 -18.091 1.00 0.00 H new ATOM 0 HB2 GLN A 57 32.767 -8.229 -18.843 1.00 0.00 H new ATOM 0 HB3 GLN A 57 32.463 -7.704 -17.199 1.00 0.00 H new ATOM 0 HG2 GLN A 57 34.754 -6.641 -17.141 1.00 0.00 H new ATOM 0 HG3 GLN A 57 34.998 -7.119 -18.810 1.00 0.00 H new ATOM 0 HE21 GLN A 57 34.091 -5.910 -20.478 1.00 0.00 H new ATOM 0 HE22 GLN A 57 33.101 -4.472 -20.211 1.00 0.00 H new ATOM 360 N ASN A 58 34.017 -8.444 -15.051 1.00 0.00 N ATOM 361 CA ASN A 58 34.630 -7.991 -13.807 1.00 0.00 C ATOM 362 C ASN A 58 34.931 -9.161 -12.875 1.00 0.00 C ATOM 363 O ASN A 58 35.945 -9.147 -12.181 1.00 0.00 O ATOM 364 CB ASN A 58 33.692 -6.988 -13.126 1.00 0.00 C ATOM 365 CG ASN A 58 33.437 -5.783 -14.029 1.00 0.00 C ATOM 366 OD1 ASN A 58 34.122 -4.770 -13.923 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.451 -5.897 -14.919 1.00 0.00 N ATOM 0 H ASN A 58 33.000 -8.370 -15.064 1.00 0.00 H new ATOM 0 HA ASN A 58 35.580 -7.510 -14.037 1.00 0.00 H new ATOM 0 HB2 ASN A 58 32.746 -7.474 -12.885 1.00 0.00 H new ATOM 0 HB3 ASN A 58 34.129 -6.656 -12.184 1.00 0.00 H new ATOM 0 HD21 ASN A 58 32.240 -5.122 -15.548 1.00 0.00 H new ATOM 0 HD22 ASN A 58 31.908 -6.759 -14.971 1.00 0.00 H new ATOM 374 N GLY A 59 34.051 -10.166 -12.851 1.00 0.00 N ATOM 375 CA GLY A 59 34.214 -11.318 -11.978 1.00 0.00 C ATOM 376 C GLY A 59 33.423 -11.105 -10.690 1.00 0.00 C ATOM 377 O GLY A 59 33.129 -9.968 -10.317 1.00 0.00 O ATOM 0 H GLY A 59 33.214 -10.199 -13.433 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.869 -12.220 -12.483 1.00 0.00 H new ATOM 0 HA3 GLY A 59 35.269 -11.465 -11.748 1.00 0.00 H new ATOM 381 N THR A 60 33.077 -12.203 -10.009 1.00 0.00 N ATOM 382 CA THR A 60 32.333 -12.133 -8.761 1.00 0.00 C ATOM 383 C THR A 60 33.297 -11.791 -7.623 1.00 0.00 C ATOM 384 O THR A 60 33.713 -12.668 -6.868 1.00 0.00 O ATOM 385 CB THR A 60 31.614 -13.472 -8.522 1.00 0.00 C ATOM 386 OG1 THR A 60 30.641 -13.661 -9.529 1.00 0.00 O ATOM 387 CG2 THR A 60 30.928 -13.465 -7.154 1.00 0.00 C ATOM 0 H THR A 60 33.305 -13.151 -10.308 1.00 0.00 H new ATOM 0 HA THR A 60 31.575 -11.351 -8.807 1.00 0.00 H new ATOM 0 HB THR A 60 32.344 -14.281 -8.550 1.00 0.00 H new ATOM 0 HG1 THR A 60 29.761 -13.400 -9.187 1.00 0.00 H new ATOM 0 HG21 THR A 60 30.422 -14.418 -6.996 1.00 0.00 H new ATOM 0 HG22 THR A 60 31.674 -13.316 -6.374 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.198 -12.656 -7.117 1.00 0.00 H new ATOM 395 N ASP A 61 33.654 -10.504 -7.516 1.00 0.00 N ATOM 396 CA ASP A 61 34.568 -10.032 -6.485 1.00 0.00 C ATOM 397 C ASP A 61 33.770 -9.622 -5.242 1.00 0.00 C ATOM 398 O ASP A 61 33.742 -10.358 -4.258 1.00 0.00 O ATOM 399 CB ASP A 61 35.402 -8.861 -7.040 1.00 0.00 C ATOM 400 CG ASP A 61 36.889 -9.196 -7.022 1.00 0.00 C ATOM 401 OD1 ASP A 61 37.273 -10.109 -7.785 1.00 0.00 O ATOM 402 OD2 ASP A 61 37.612 -8.534 -6.249 1.00 0.00 O ATOM 0 H ASP A 61 33.316 -9.771 -8.140 1.00 0.00 H new ATOM 0 HA ASP A 61 35.254 -10.827 -6.194 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.088 -8.637 -8.059 1.00 0.00 H new ATOM 0 HB3 ASP A 61 35.220 -7.966 -6.446 1.00 0.00 H new ATOM 407 N ASP A 62 33.121 -8.444 -5.295 1.00 0.00 N ATOM 408 CA ASP A 62 32.330 -7.928 -4.176 1.00 0.00 C ATOM 409 C ASP A 62 30.929 -7.520 -4.643 1.00 0.00 C ATOM 410 O ASP A 62 30.134 -7.049 -3.835 1.00 0.00 O ATOM 411 CB ASP A 62 33.047 -6.717 -3.566 1.00 0.00 C ATOM 412 CG ASP A 62 34.350 -7.124 -2.891 1.00 0.00 C ATOM 413 OD1 ASP A 62 34.263 -7.852 -1.879 1.00 0.00 O ATOM 414 OD2 ASP A 62 35.408 -6.694 -3.398 1.00 0.00 O ATOM 0 H ASP A 62 33.133 -7.832 -6.111 1.00 0.00 H new ATOM 0 HA ASP A 62 32.226 -8.713 -3.427 1.00 0.00 H new ATOM 0 HB2 ASP A 62 33.253 -5.984 -4.346 1.00 0.00 H new ATOM 0 HB3 ASP A 62 32.394 -6.234 -2.839 1.00 0.00 H new ATOM 419 N TRP A 63 30.637 -7.689 -5.949 1.00 0.00 N ATOM 420 CA TRP A 63 29.339 -7.336 -6.548 1.00 0.00 C ATOM 421 C TRP A 63 29.096 -5.816 -6.547 1.00 0.00 C ATOM 422 O TRP A 63 28.200 -5.346 -7.242 1.00 0.00 O ATOM 423 CB TRP A 63 28.194 -8.082 -5.845 1.00 0.00 C ATOM 424 CG TRP A 63 28.196 -9.555 -6.082 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.612 -10.491 -5.212 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.777 -10.286 -7.269 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.498 -11.748 -5.754 1.00 0.00 N ATOM 428 CE2 TRP A 63 27.989 -11.682 -7.040 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.242 -9.918 -8.526 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.701 -12.651 -8.004 1.00 0.00 C ATOM 431 CZ3 TRP A 63 26.938 -10.893 -9.496 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.173 -12.256 -9.238 1.00 0.00 C ATOM 0 H TRP A 63 31.301 -8.077 -6.619 1.00 0.00 H new ATOM 0 HA TRP A 63 29.365 -7.652 -7.591 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.257 -7.896 -4.773 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.243 -7.671 -6.184 1.00 0.00 H new ATOM 0 HD1 TRP A 63 28.986 -10.283 -4.220 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.753 -12.612 -5.275 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.064 -8.875 -8.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 27.884 -13.695 -7.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.521 -10.592 -10.446 1.00 0.00 H new ATOM 0 HH2 TRP A 63 26.946 -12.996 -9.991 1.00 0.00 H new ATOM 443 N LYS A 64 29.888 -5.047 -5.789 1.00 0.00 N ATOM 444 CA LYS A 64 29.748 -3.600 -5.748 1.00 0.00 C ATOM 445 C LYS A 64 30.031 -3.022 -7.135 1.00 0.00 C ATOM 446 O LYS A 64 29.305 -2.150 -7.608 1.00 0.00 O ATOM 447 CB LYS A 64 30.722 -3.036 -4.708 1.00 0.00 C ATOM 448 CG LYS A 64 30.563 -1.514 -4.613 1.00 0.00 C ATOM 449 CD LYS A 64 31.289 -0.986 -3.368 1.00 0.00 C ATOM 450 CE LYS A 64 32.794 -1.264 -3.477 1.00 0.00 C ATOM 451 NZ LYS A 64 33.533 -0.608 -2.383 1.00 0.00 N ATOM 0 H LYS A 64 30.633 -5.412 -5.196 1.00 0.00 H new ATOM 0 HA LYS A 64 28.732 -3.324 -5.464 1.00 0.00 H new ATOM 0 HB2 LYS A 64 30.533 -3.491 -3.736 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.746 -3.287 -4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 64 30.968 -1.041 -5.508 1.00 0.00 H new ATOM 0 HG3 LYS A 64 29.506 -1.253 -4.565 1.00 0.00 H new ATOM 0 HD2 LYS A 64 31.116 0.085 -3.264 1.00 0.00 H new ATOM 0 HD3 LYS A 64 30.887 -1.463 -2.474 1.00 0.00 H new ATOM 0 HE2 LYS A 64 32.972 -2.339 -3.447 1.00 0.00 H new ATOM 0 HE3 LYS A 64 33.165 -0.906 -4.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 34.548 -0.811 -2.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 33.380 0.420 -2.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 33.193 -0.969 -1.469 1.00 0.00 H new ATOM 465 N VAL A 65 31.091 -3.519 -7.783 1.00 0.00 N ATOM 466 CA VAL A 65 31.474 -3.072 -9.113 1.00 0.00 C ATOM 467 C VAL A 65 30.314 -3.291 -10.085 1.00 0.00 C ATOM 468 O VAL A 65 29.945 -2.388 -10.833 1.00 0.00 O ATOM 469 CB VAL A 65 32.719 -3.853 -9.564 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.095 -3.454 -10.993 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.892 -3.548 -8.627 1.00 0.00 C ATOM 0 H VAL A 65 31.701 -4.239 -7.396 1.00 0.00 H new ATOM 0 HA VAL A 65 31.709 -2.008 -9.097 1.00 0.00 H new ATOM 0 HB VAL A 65 32.497 -4.920 -9.532 1.00 0.00 H new ATOM 0 HG11 VAL A 65 33.978 -4.011 -11.306 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.266 -3.680 -11.664 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.309 -2.386 -11.028 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.771 -4.104 -8.952 1.00 0.00 H new ATOM 0 HG22 VAL A 65 34.109 -2.480 -8.651 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.632 -3.842 -7.610 1.00 0.00 H new ATOM 481 N ILE A 66 29.742 -4.497 -10.067 1.00 0.00 N ATOM 482 CA ILE A 66 28.636 -4.846 -10.943 1.00 0.00 C ATOM 483 C ILE A 66 27.427 -3.958 -10.631 1.00 0.00 C ATOM 484 O ILE A 66 26.763 -3.473 -11.546 1.00 0.00 O ATOM 485 CB ILE A 66 28.310 -6.338 -10.762 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.500 -7.178 -11.265 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.050 -6.697 -11.558 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.402 -8.612 -10.748 1.00 0.00 C ATOM 0 H ILE A 66 30.035 -5.251 -9.446 1.00 0.00 H new ATOM 0 HA ILE A 66 28.907 -4.676 -11.985 1.00 0.00 H new ATOM 0 HB ILE A 66 28.132 -6.547 -9.707 1.00 0.00 H new ATOM 0 HG12 ILE A 66 29.517 -7.179 -12.355 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.436 -6.729 -10.932 1.00 0.00 H new ATOM 0 HG21 ILE A 66 26.825 -7.755 -11.425 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.211 -6.100 -11.200 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.217 -6.491 -12.615 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.251 -9.189 -11.114 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.409 -8.607 -9.658 1.00 0.00 H new ATOM 0 HD13 ILE A 66 28.476 -9.064 -11.103 1.00 0.00 H new ATOM 500 N ALA A 67 27.148 -3.741 -9.339 1.00 0.00 N ATOM 501 CA ALA A 67 26.028 -2.910 -8.916 1.00 0.00 C ATOM 502 C ALA A 67 26.189 -1.486 -9.452 1.00 0.00 C ATOM 503 O ALA A 67 25.212 -0.867 -9.860 1.00 0.00 O ATOM 504 CB ALA A 67 25.947 -2.907 -7.390 1.00 0.00 C ATOM 0 H ALA A 67 27.690 -4.135 -8.570 1.00 0.00 H new ATOM 0 HA ALA A 67 25.102 -3.319 -9.320 1.00 0.00 H new ATOM 0 HB1 ALA A 67 25.110 -2.286 -7.071 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.800 -3.926 -7.031 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.873 -2.507 -6.977 1.00 0.00 H new ATOM 510 N ASN A 68 27.423 -0.964 -9.454 1.00 0.00 N ATOM 511 CA ASN A 68 27.686 0.383 -9.952 1.00 0.00 C ATOM 512 C ASN A 68 27.291 0.482 -11.428 1.00 0.00 C ATOM 513 O ASN A 68 26.798 1.519 -11.866 1.00 0.00 O ATOM 514 CB ASN A 68 29.167 0.735 -9.759 1.00 0.00 C ATOM 515 CG ASN A 68 29.398 1.413 -8.412 1.00 0.00 C ATOM 516 OD1 ASN A 68 29.711 2.598 -8.359 1.00 0.00 O ATOM 517 ND2 ASN A 68 29.241 0.661 -7.324 1.00 0.00 N ATOM 0 H ASN A 68 28.250 -1.457 -9.116 1.00 0.00 H new ATOM 0 HA ASN A 68 27.087 1.097 -9.387 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.771 -0.170 -9.822 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.495 1.394 -10.563 1.00 0.00 H new ATOM 0 HD21 ASN A 68 29.382 1.067 -6.399 1.00 0.00 H new ATOM 0 HD22 ASN A 68 28.980 -0.321 -7.416 1.00 0.00 H new ATOM 524 N TYR A 69 27.504 -0.599 -12.194 1.00 0.00 N ATOM 525 CA TYR A 69 27.159 -0.621 -13.611 1.00 0.00 C ATOM 526 C TYR A 69 25.656 -0.871 -13.797 1.00 0.00 C ATOM 527 O TYR A 69 25.122 -0.607 -14.873 1.00 0.00 O ATOM 528 CB TYR A 69 27.974 -1.708 -14.320 1.00 0.00 C ATOM 529 CG TYR A 69 29.450 -1.378 -14.445 1.00 0.00 C ATOM 530 CD1 TYR A 69 29.857 -0.211 -15.117 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.416 -2.245 -13.900 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.224 0.090 -15.239 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.782 -1.943 -14.027 1.00 0.00 C ATOM 534 CZ TYR A 69 32.186 -0.776 -14.694 1.00 0.00 C ATOM 535 OH TYR A 69 33.512 -0.483 -14.816 1.00 0.00 O ATOM 0 H TYR A 69 27.914 -1.467 -11.849 1.00 0.00 H new ATOM 0 HA TYR A 69 27.397 0.348 -14.049 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.865 -2.646 -13.775 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.561 -1.869 -15.316 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.118 0.454 -15.539 1.00 0.00 H new ATOM 0 HD2 TYR A 69 30.107 -3.142 -13.384 1.00 0.00 H new ATOM 0 HE1 TYR A 69 31.535 0.988 -15.752 1.00 0.00 H new ATOM 0 HE2 TYR A 69 32.523 -2.610 -13.611 1.00 0.00 H new ATOM 0 HH TYR A 69 34.043 -1.184 -14.383 1.00 0.00 H new ATOM 545 N LEU A 70 24.978 -1.375 -12.751 1.00 0.00 N ATOM 546 CA LEU A 70 23.544 -1.650 -12.804 1.00 0.00 C ATOM 547 C LEU A 70 22.835 -0.910 -11.664 1.00 0.00 C ATOM 548 O LEU A 70 22.557 -1.509 -10.625 1.00 0.00 O ATOM 549 CB LEU A 70 23.309 -3.162 -12.678 1.00 0.00 C ATOM 550 CG LEU A 70 23.831 -3.901 -13.920 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.826 -5.404 -13.644 1.00 0.00 C ATOM 552 CD2 LEU A 70 22.935 -3.607 -15.128 1.00 0.00 C ATOM 0 H LEU A 70 25.411 -1.599 -11.855 1.00 0.00 H new ATOM 0 HA LEU A 70 23.140 -1.304 -13.755 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.811 -3.540 -11.787 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.245 -3.360 -12.552 1.00 0.00 H new ATOM 0 HG LEU A 70 24.843 -3.562 -14.139 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.195 -5.936 -14.521 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.470 -5.619 -12.791 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.810 -5.730 -13.423 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.316 -4.137 -16.001 1.00 0.00 H new ATOM 0 HD22 LEU A 70 21.919 -3.940 -14.917 1.00 0.00 H new ATOM 0 HD23 LEU A 70 22.932 -2.535 -15.327 1.00 0.00 H new ATOM 564 N PRO A 71 22.533 0.395 -11.848 1.00 0.00 N ATOM 565 CA PRO A 71 21.860 1.188 -10.838 1.00 0.00 C ATOM 566 C PRO A 71 20.546 0.526 -10.418 1.00 0.00 C ATOM 567 O PRO A 71 19.966 -0.241 -11.186 1.00 0.00 O ATOM 568 CB PRO A 71 21.626 2.563 -11.470 1.00 0.00 C ATOM 569 CG PRO A 71 22.326 2.552 -12.834 1.00 0.00 C ATOM 570 CD PRO A 71 22.843 1.130 -13.057 1.00 0.00 C ATOM 0 HA PRO A 71 22.456 1.277 -9.929 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.560 2.759 -11.585 1.00 0.00 H new ATOM 0 HB3 PRO A 71 22.029 3.353 -10.836 1.00 0.00 H new ATOM 0 HG2 PRO A 71 21.634 2.840 -13.625 1.00 0.00 H new ATOM 0 HG3 PRO A 71 23.147 3.269 -12.852 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.365 0.673 -13.924 1.00 0.00 H new ATOM 0 HD3 PRO A 71 23.916 1.131 -13.248 1.00 0.00 H new ATOM 578 N ASN A 72 20.092 0.829 -9.187 1.00 0.00 N ATOM 579 CA ASN A 72 18.866 0.263 -8.604 1.00 0.00 C ATOM 580 C ASN A 72 19.126 -1.172 -8.136 1.00 0.00 C ATOM 581 O ASN A 72 18.789 -1.525 -7.006 1.00 0.00 O ATOM 582 CB ASN A 72 17.687 0.310 -9.595 1.00 0.00 C ATOM 583 CG ASN A 72 17.546 1.688 -10.235 1.00 0.00 C ATOM 584 OD1 ASN A 72 17.098 2.631 -9.590 1.00 0.00 O ATOM 585 ND2 ASN A 72 17.928 1.803 -11.507 1.00 0.00 N ATOM 0 H ASN A 72 20.572 1.480 -8.566 1.00 0.00 H new ATOM 0 HA ASN A 72 18.587 0.873 -7.745 1.00 0.00 H new ATOM 0 HB2 ASN A 72 17.834 -0.440 -10.373 1.00 0.00 H new ATOM 0 HB3 ASN A 72 16.764 0.053 -9.076 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.853 2.702 -11.983 1.00 0.00 H new ATOM 0 HD22 ASN A 72 18.295 0.992 -12.005 1.00 0.00 H new ATOM 592 N ARG A 73 19.727 -1.995 -9.002 1.00 0.00 N ATOM 593 CA ARG A 73 20.035 -3.376 -8.673 1.00 0.00 C ATOM 594 C ARG A 73 21.307 -3.412 -7.832 1.00 0.00 C ATOM 595 O ARG A 73 22.409 -3.534 -8.363 1.00 0.00 O ATOM 596 CB ARG A 73 20.201 -4.193 -9.965 1.00 0.00 C ATOM 597 CG ARG A 73 18.994 -3.991 -10.899 1.00 0.00 C ATOM 598 CD ARG A 73 17.721 -4.592 -10.279 1.00 0.00 C ATOM 599 NE ARG A 73 16.538 -4.264 -11.086 1.00 0.00 N ATOM 600 CZ ARG A 73 16.344 -4.726 -12.333 1.00 0.00 C ATOM 601 NH1 ARG A 73 17.154 -5.657 -12.840 1.00 0.00 N ATOM 602 NH2 ARG A 73 15.340 -4.250 -13.075 1.00 0.00 N ATOM 0 H ARG A 73 20.009 -1.718 -9.942 1.00 0.00 H new ATOM 0 HA ARG A 73 19.221 -3.817 -8.098 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.116 -3.892 -10.476 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.305 -5.250 -9.721 1.00 0.00 H new ATOM 0 HG2 ARG A 73 18.846 -2.927 -11.086 1.00 0.00 H new ATOM 0 HG3 ARG A 73 19.191 -4.460 -11.863 1.00 0.00 H new ATOM 0 HD2 ARG A 73 17.825 -5.674 -10.203 1.00 0.00 H new ATOM 0 HD3 ARG A 73 17.591 -4.212 -9.266 1.00 0.00 H new ATOM 0 HE ARG A 73 15.828 -3.655 -10.679 1.00 0.00 H new ATOM 0 HH11 ARG A 73 17.925 -6.022 -12.281 1.00 0.00 H new ATOM 0 HH12 ARG A 73 17.002 -6.004 -13.787 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.720 -3.535 -12.695 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.194 -4.602 -14.021 1.00 0.00 H new ATOM 616 N THR A 74 21.141 -3.300 -6.510 1.00 0.00 N ATOM 617 CA THR A 74 22.258 -3.305 -5.577 1.00 0.00 C ATOM 618 C THR A 74 23.031 -4.632 -5.665 1.00 0.00 C ATOM 619 O THR A 74 22.633 -5.549 -6.390 1.00 0.00 O ATOM 620 CB THR A 74 21.723 -3.052 -4.157 1.00 0.00 C ATOM 621 OG1 THR A 74 22.804 -2.904 -3.264 1.00 0.00 O ATOM 622 CG2 THR A 74 20.838 -4.217 -3.700 1.00 0.00 C ATOM 0 H THR A 74 20.229 -3.204 -6.064 1.00 0.00 H new ATOM 0 HA THR A 74 22.959 -2.511 -5.834 1.00 0.00 H new ATOM 0 HB THR A 74 21.126 -2.140 -4.166 1.00 0.00 H new ATOM 0 HG1 THR A 74 22.462 -2.741 -2.360 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.469 -4.020 -2.693 1.00 0.00 H new ATOM 0 HG22 THR A 74 19.994 -4.322 -4.382 1.00 0.00 H new ATOM 0 HG23 THR A 74 21.421 -5.138 -3.699 1.00 0.00 H new ATOM 630 N ASP A 75 24.142 -4.724 -4.925 1.00 0.00 N ATOM 631 CA ASP A 75 24.991 -5.910 -4.926 1.00 0.00 C ATOM 632 C ASP A 75 24.174 -7.156 -4.583 1.00 0.00 C ATOM 633 O ASP A 75 24.346 -8.195 -5.215 1.00 0.00 O ATOM 634 CB ASP A 75 26.141 -5.715 -3.928 1.00 0.00 C ATOM 635 CG ASP A 75 25.627 -5.304 -2.553 1.00 0.00 C ATOM 636 OD1 ASP A 75 25.404 -4.088 -2.372 1.00 0.00 O ATOM 637 OD2 ASP A 75 25.467 -6.213 -1.713 1.00 0.00 O ATOM 0 H ASP A 75 24.473 -3.979 -4.312 1.00 0.00 H new ATOM 0 HA ASP A 75 25.409 -6.053 -5.922 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.710 -6.641 -3.843 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.825 -4.954 -4.304 1.00 0.00 H new ATOM 642 N VAL A 76 23.283 -7.052 -3.590 1.00 0.00 N ATOM 643 CA VAL A 76 22.445 -8.173 -3.184 1.00 0.00 C ATOM 644 C VAL A 76 21.575 -8.625 -4.360 1.00 0.00 C ATOM 645 O VAL A 76 21.463 -9.819 -4.621 1.00 0.00 O ATOM 646 CB VAL A 76 21.571 -7.763 -1.986 1.00 0.00 C ATOM 647 CG1 VAL A 76 20.748 -8.966 -1.513 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.458 -7.274 -0.836 1.00 0.00 C ATOM 0 H VAL A 76 23.128 -6.198 -3.055 1.00 0.00 H new ATOM 0 HA VAL A 76 23.078 -9.008 -2.882 1.00 0.00 H new ATOM 0 HB VAL A 76 20.902 -6.959 -2.294 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.130 -8.673 -0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.109 -9.312 -2.325 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.419 -9.770 -1.212 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.832 -6.985 0.009 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.133 -8.074 -0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.041 -6.414 -1.166 1.00 0.00 H new ATOM 658 N GLN A 77 20.958 -7.666 -5.066 1.00 0.00 N ATOM 659 CA GLN A 77 20.093 -7.967 -6.200 1.00 0.00 C ATOM 660 C GLN A 77 20.883 -8.675 -7.295 1.00 0.00 C ATOM 661 O GLN A 77 20.453 -9.710 -7.795 1.00 0.00 O ATOM 662 CB GLN A 77 19.486 -6.664 -6.744 1.00 0.00 C ATOM 663 CG GLN A 77 18.079 -6.461 -6.180 1.00 0.00 C ATOM 664 CD GLN A 77 17.110 -7.512 -6.718 1.00 0.00 C ATOM 665 OE1 GLN A 77 17.167 -7.874 -7.891 1.00 0.00 O ATOM 666 NE2 GLN A 77 16.220 -8.002 -5.858 1.00 0.00 N ATOM 0 H GLN A 77 21.048 -6.670 -4.864 1.00 0.00 H new ATOM 0 HA GLN A 77 19.291 -8.627 -5.871 1.00 0.00 H new ATOM 0 HB2 GLN A 77 20.119 -5.819 -6.474 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.448 -6.699 -7.833 1.00 0.00 H new ATOM 0 HG2 GLN A 77 18.110 -6.514 -5.092 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.720 -5.465 -6.440 1.00 0.00 H new ATOM 0 HE21 GLN A 77 16.209 -7.673 -4.893 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.549 -8.707 -6.164 1.00 0.00 H new ATOM 675 N CYS A 78 22.033 -8.109 -7.670 1.00 0.00 N ATOM 676 CA CYS A 78 22.866 -8.676 -8.721 1.00 0.00 C ATOM 677 C CYS A 78 23.309 -10.088 -8.337 1.00 0.00 C ATOM 678 O CYS A 78 23.192 -11.017 -9.136 1.00 0.00 O ATOM 679 CB CYS A 78 24.084 -7.776 -8.950 1.00 0.00 C ATOM 680 SG CYS A 78 23.541 -6.224 -9.710 1.00 0.00 S ATOM 0 H CYS A 78 22.405 -7.254 -7.256 1.00 0.00 H new ATOM 0 HA CYS A 78 22.291 -8.736 -9.645 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.586 -7.575 -8.004 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.806 -8.278 -9.594 1.00 0.00 H new ATOM 0 HG CYS A 78 23.154 -5.399 -8.783 1.00 0.00 H new ATOM 686 N GLN A 79 23.819 -10.242 -7.110 1.00 0.00 N ATOM 687 CA GLN A 79 24.296 -11.524 -6.621 1.00 0.00 C ATOM 688 C GLN A 79 23.175 -12.558 -6.663 1.00 0.00 C ATOM 689 O GLN A 79 23.337 -13.619 -7.263 1.00 0.00 O ATOM 690 CB GLN A 79 24.829 -11.355 -5.196 1.00 0.00 C ATOM 691 CG GLN A 79 25.369 -12.694 -4.689 1.00 0.00 C ATOM 692 CD GLN A 79 26.210 -12.510 -3.430 1.00 0.00 C ATOM 693 OE1 GLN A 79 26.008 -11.563 -2.676 1.00 0.00 O ATOM 694 NE2 GLN A 79 27.157 -13.420 -3.206 1.00 0.00 N ATOM 0 H GLN A 79 23.909 -9.481 -6.437 1.00 0.00 H new ATOM 0 HA GLN A 79 25.103 -11.880 -7.261 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.618 -10.603 -5.179 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.035 -10.999 -4.539 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.538 -13.368 -4.479 1.00 0.00 H new ATOM 0 HG3 GLN A 79 25.972 -13.164 -5.466 1.00 0.00 H new ATOM 0 HE21 GLN A 79 27.289 -14.191 -3.861 1.00 0.00 H new ATOM 0 HE22 GLN A 79 27.750 -13.346 -2.380 1.00 0.00 H new ATOM 703 N HIS A 80 22.040 -12.248 -6.024 1.00 0.00 N ATOM 704 CA HIS A 80 20.903 -13.153 -5.986 1.00 0.00 C ATOM 705 C HIS A 80 20.475 -13.514 -7.398 1.00 0.00 C ATOM 706 O HIS A 80 20.373 -14.689 -7.726 1.00 0.00 O ATOM 707 CB HIS A 80 19.737 -12.497 -5.238 1.00 0.00 C ATOM 708 CG HIS A 80 19.792 -12.713 -3.749 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.794 -12.261 -2.896 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.699 -13.340 -2.930 1.00 0.00 C ATOM 711 CE1 HIS A 80 19.149 -12.631 -1.652 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.304 -13.296 -1.602 1.00 0.00 N ATOM 0 H HIS A 80 21.892 -11.370 -5.526 1.00 0.00 H new ATOM 0 HA HIS A 80 21.195 -14.063 -5.462 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.738 -11.427 -5.444 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.798 -12.895 -5.622 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.607 -13.809 -3.278 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.555 -12.410 -0.777 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.781 -13.679 -0.786 1.00 0.00 H new ATOM 720 N ARG A 81 20.217 -12.506 -8.232 1.00 0.00 N ATOM 721 CA ARG A 81 19.765 -12.741 -9.589 1.00 0.00 C ATOM 722 C ARG A 81 20.673 -13.751 -10.280 1.00 0.00 C ATOM 723 O ARG A 81 20.184 -14.668 -10.925 1.00 0.00 O ATOM 724 CB ARG A 81 19.727 -11.421 -10.369 1.00 0.00 C ATOM 725 CG ARG A 81 19.276 -11.672 -11.820 1.00 0.00 C ATOM 726 CD ARG A 81 17.878 -12.306 -11.838 1.00 0.00 C ATOM 727 NE ARG A 81 17.332 -12.344 -13.199 1.00 0.00 N ATOM 728 CZ ARG A 81 16.070 -12.721 -13.470 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.260 -13.119 -12.478 1.00 0.00 N ATOM 730 NH2 ARG A 81 15.620 -12.702 -14.730 1.00 0.00 N ATOM 0 H ARG A 81 20.316 -11.521 -7.984 1.00 0.00 H new ATOM 0 HA ARG A 81 18.756 -13.152 -9.559 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.044 -10.723 -9.884 1.00 0.00 H new ATOM 0 HB3 ARG A 81 20.714 -10.958 -10.362 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.264 -10.733 -12.373 1.00 0.00 H new ATOM 0 HG3 ARG A 81 19.987 -12.328 -12.321 1.00 0.00 H new ATOM 0 HD2 ARG A 81 17.929 -13.318 -11.435 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.210 -11.738 -11.191 1.00 0.00 H new ATOM 0 HE ARG A 81 17.937 -12.072 -13.974 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.601 -13.136 -11.517 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.303 -13.405 -12.685 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.235 -12.401 -15.487 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.662 -12.988 -14.934 1.00 0.00 H new ATOM 744 N TRP A 82 21.993 -13.587 -10.155 1.00 0.00 N ATOM 745 CA TRP A 82 22.915 -14.484 -10.817 1.00 0.00 C ATOM 746 C TRP A 82 23.007 -15.833 -10.091 1.00 0.00 C ATOM 747 O TRP A 82 22.509 -16.835 -10.586 1.00 0.00 O ATOM 748 CB TRP A 82 24.300 -13.848 -10.938 1.00 0.00 C ATOM 749 CG TRP A 82 25.269 -14.738 -11.643 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.183 -15.525 -11.054 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.390 -15.008 -13.071 1.00 0.00 C ATOM 752 NE1 TRP A 82 26.853 -16.278 -11.983 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.398 -16.004 -13.257 1.00 0.00 C ATOM 754 CE3 TRP A 82 24.740 -14.533 -14.234 1.00 0.00 C ATOM 755 CZ2 TRP A 82 26.730 -16.508 -14.514 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.077 -15.039 -15.507 1.00 0.00 C ATOM 757 CH2 TRP A 82 26.063 -16.031 -15.642 1.00 0.00 C ATOM 0 H TRP A 82 22.433 -12.848 -9.606 1.00 0.00 H new ATOM 0 HA TRP A 82 22.528 -14.669 -11.819 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.219 -12.904 -11.476 1.00 0.00 H new ATOM 0 HB3 TRP A 82 24.680 -13.616 -9.943 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.366 -15.560 -9.990 1.00 0.00 H new ATOM 0 HE1 TRP A 82 27.588 -16.950 -11.763 1.00 0.00 H new ATOM 0 HE3 TRP A 82 23.977 -13.774 -14.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 27.497 -17.262 -14.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 24.573 -14.661 -16.384 1.00 0.00 H new ATOM 0 HH2 TRP A 82 26.304 -16.424 -16.619 1.00 0.00 H new ATOM 768 N GLN A 83 23.670 -15.859 -8.931 1.00 0.00 N ATOM 769 CA GLN A 83 23.933 -17.102 -8.206 1.00 0.00 C ATOM 770 C GLN A 83 22.657 -17.906 -7.934 1.00 0.00 C ATOM 771 O GLN A 83 22.694 -19.134 -7.967 1.00 0.00 O ATOM 772 CB GLN A 83 24.646 -16.780 -6.887 1.00 0.00 C ATOM 773 CG GLN A 83 26.060 -16.259 -7.173 1.00 0.00 C ATOM 774 CD GLN A 83 26.916 -16.260 -5.909 1.00 0.00 C ATOM 775 OE1 GLN A 83 27.348 -15.208 -5.446 1.00 0.00 O ATOM 776 NE2 GLN A 83 27.164 -17.445 -5.351 1.00 0.00 N ATOM 0 H GLN A 83 24.036 -15.025 -8.472 1.00 0.00 H new ATOM 0 HA GLN A 83 24.569 -17.724 -8.836 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.080 -16.034 -6.330 1.00 0.00 H new ATOM 0 HB3 GLN A 83 24.697 -17.673 -6.263 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.532 -16.880 -7.935 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.003 -15.248 -7.576 1.00 0.00 H new ATOM 0 HE21 GLN A 83 26.785 -18.295 -5.769 1.00 0.00 H new ATOM 0 HE22 GLN A 83 27.733 -17.502 -4.506 1.00 0.00 H new ATOM 785 N LYS A 84 21.539 -17.232 -7.650 1.00 0.00 N ATOM 786 CA LYS A 84 20.300 -17.920 -7.300 1.00 0.00 C ATOM 787 C LYS A 84 19.505 -18.347 -8.545 1.00 0.00 C ATOM 788 O LYS A 84 18.525 -19.078 -8.407 1.00 0.00 O ATOM 789 CB LYS A 84 19.456 -17.004 -6.401 1.00 0.00 C ATOM 790 CG LYS A 84 18.635 -17.843 -5.420 1.00 0.00 C ATOM 791 CD LYS A 84 17.866 -16.912 -4.477 1.00 0.00 C ATOM 792 CE LYS A 84 16.978 -17.732 -3.535 1.00 0.00 C ATOM 793 NZ LYS A 84 17.787 -18.567 -2.626 1.00 0.00 N ATOM 0 H LYS A 84 21.469 -16.214 -7.656 1.00 0.00 H new ATOM 0 HA LYS A 84 20.552 -18.834 -6.763 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.105 -16.321 -5.853 1.00 0.00 H new ATOM 0 HB3 LYS A 84 18.793 -16.392 -7.012 1.00 0.00 H new ATOM 0 HG2 LYS A 84 17.940 -18.483 -5.964 1.00 0.00 H new ATOM 0 HG3 LYS A 84 19.291 -18.499 -4.847 1.00 0.00 H new ATOM 0 HD2 LYS A 84 18.566 -16.310 -3.897 1.00 0.00 H new ATOM 0 HD3 LYS A 84 17.254 -16.220 -5.056 1.00 0.00 H new ATOM 0 HE2 LYS A 84 16.347 -17.062 -2.951 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.313 -18.367 -4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 17.176 -18.964 -1.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 18.226 -19.341 -3.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 18.530 -17.985 -2.188 1.00 0.00 H new ATOM 807 N VAL A 85 19.907 -17.903 -9.755 1.00 0.00 N ATOM 808 CA VAL A 85 19.184 -18.263 -10.980 1.00 0.00 C ATOM 809 C VAL A 85 20.171 -18.634 -12.099 1.00 0.00 C ATOM 810 O VAL A 85 20.240 -19.798 -12.494 1.00 0.00 O ATOM 811 CB VAL A 85 18.259 -17.106 -11.410 1.00 0.00 C ATOM 812 CG1 VAL A 85 17.249 -17.618 -12.441 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.500 -16.546 -10.197 1.00 0.00 C ATOM 0 H VAL A 85 20.718 -17.303 -9.903 1.00 0.00 H new ATOM 0 HA VAL A 85 18.564 -19.137 -10.781 1.00 0.00 H new ATOM 0 HB VAL A 85 18.868 -16.314 -11.845 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.595 -16.801 -12.746 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.781 -18.001 -13.312 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.652 -18.416 -12.000 1.00 0.00 H new ATOM 0 HG21 VAL A 85 16.852 -15.730 -10.518 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.896 -17.335 -9.750 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.213 -16.174 -9.461 1.00 0.00 H new ATOM 823 N LEU A 86 20.931 -17.653 -12.613 1.00 0.00 N ATOM 824 CA LEU A 86 21.896 -17.904 -13.683 1.00 0.00 C ATOM 825 C LEU A 86 23.102 -18.647 -13.117 1.00 0.00 C ATOM 826 O LEU A 86 24.079 -18.024 -12.705 1.00 0.00 O ATOM 827 CB LEU A 86 22.382 -16.585 -14.306 1.00 0.00 C ATOM 828 CG LEU A 86 21.302 -15.870 -15.140 1.00 0.00 C ATOM 829 CD1 LEU A 86 20.688 -16.824 -16.165 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.214 -15.302 -14.234 1.00 0.00 C ATOM 0 H LEU A 86 20.892 -16.682 -12.302 1.00 0.00 H new ATOM 0 HA LEU A 86 21.404 -18.501 -14.451 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.718 -15.918 -13.512 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.246 -16.787 -14.940 1.00 0.00 H new ATOM 0 HG LEU A 86 21.777 -15.047 -15.674 1.00 0.00 H new ATOM 0 HD11 LEU A 86 19.928 -16.298 -16.742 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.466 -17.187 -16.836 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.231 -17.668 -15.648 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.460 -14.801 -14.841 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.748 -16.112 -13.673 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.655 -14.587 -13.540 1.00 0.00 H new