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 80 HIS : no HD1:sc= -0.137 X(o=-0.17,f=-0.23) USER MOD Set 1.2: A 84 LYS NZ :NH3+ -159:sc= -0.0289 (180deg=-0.18) USER MOD Set 2.1: A 79 GLN : amide:sc= 0.755 K(o=0.21,f=-0.46) USER MOD Set 2.2: A 83 GLN : amide:sc= -0.545! K(o=0.21!,f=-0.46) USER MOD Set 3.1: A 74 THR OG1 : rot 180:sc= 0.00959 USER MOD Set 3.2: A 77 GLN : amide:sc= -0.0654 K(o=-0.056,f=-1.3) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 50 LYS NZ :NH3+ -119:sc= 1.31 (180deg=-0.201) USER MOD Single : A 52 LYS NZ :NH3+ 170:sc= 0.687 (180deg=0.355) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= 0.885 K(o=0.89,f=0) USER MOD Single : A 60 THR OG1 : rot 64:sc= 0.112 USER MOD Single : A 64 LYS NZ :NH3+ 174:sc= 2.45 (180deg=2.33) USER MOD Single : A 68 ASN : amide:sc= 0.982 K(o=0.98,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.0386 X(o=-0.039,f=-0.039) USER MOD Single : A 78 CYS SG : rot 73:sc= 0.472 USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.341 -7.179 -13.504 1.00 0.00 N ATOM 90 CA TRP A 43 14.415 -7.806 -14.257 1.00 0.00 C ATOM 91 C TRP A 43 13.890 -8.192 -15.636 1.00 0.00 C ATOM 92 O TRP A 43 12.698 -8.467 -15.795 1.00 0.00 O ATOM 93 CB TRP A 43 14.930 -9.032 -13.497 1.00 0.00 C ATOM 94 CG TRP A 43 15.920 -8.714 -12.421 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.663 -8.655 -11.103 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.335 -8.394 -12.553 1.00 0.00 C ATOM 97 NE1 TRP A 43 16.795 -8.322 -10.396 1.00 0.00 N ATOM 98 CE2 TRP A 43 17.870 -8.144 -11.249 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.229 -8.285 -13.642 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.211 -7.803 -11.042 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.580 -7.939 -13.439 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.069 -7.695 -12.143 1.00 0.00 C ATOM 0 HA TRP A 43 15.247 -7.113 -14.380 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.082 -9.553 -13.053 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.390 -9.719 -14.207 1.00 0.00 H new ATOM 0 HD1 TRP A 43 14.697 -8.844 -10.659 1.00 0.00 H new ATOM 0 HE1 TRP A 43 16.836 -8.220 -9.382 1.00 0.00 H new ATOM 0 HE3 TRP A 43 17.872 -8.470 -14.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.581 -7.625 -10.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.246 -7.861 -14.286 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.104 -7.425 -11.997 1.00 0.00 H new ATOM 113 N THR A 44 14.778 -8.203 -16.633 1.00 0.00 N ATOM 114 CA THR A 44 14.413 -8.533 -18.004 1.00 0.00 C ATOM 115 C THR A 44 15.632 -9.129 -18.706 1.00 0.00 C ATOM 116 O THR A 44 16.758 -8.924 -18.259 1.00 0.00 O ATOM 117 CB THR A 44 13.916 -7.259 -18.714 1.00 0.00 C ATOM 118 OG1 THR A 44 12.888 -6.662 -17.949 1.00 0.00 O ATOM 119 CG2 THR A 44 13.367 -7.603 -20.102 1.00 0.00 C ATOM 0 H THR A 44 15.766 -7.983 -16.509 1.00 0.00 H new ATOM 0 HA THR A 44 13.608 -9.268 -18.027 1.00 0.00 H new ATOM 0 HB THR A 44 14.753 -6.569 -18.819 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.573 -5.851 -18.400 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.020 -6.693 -20.592 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.154 -8.060 -20.702 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.536 -8.301 -20.002 1.00 0.00 H new ATOM 127 N ARG A 45 15.403 -9.870 -19.801 1.00 0.00 N ATOM 128 CA ARG A 45 16.477 -10.520 -20.545 1.00 0.00 C ATOM 129 C ARG A 45 17.618 -9.540 -20.837 1.00 0.00 C ATOM 130 O ARG A 45 18.780 -9.902 -20.708 1.00 0.00 O ATOM 131 CB ARG A 45 15.923 -11.110 -21.847 1.00 0.00 C ATOM 132 CG ARG A 45 17.086 -11.627 -22.703 1.00 0.00 C ATOM 133 CD ARG A 45 16.658 -12.871 -23.487 1.00 0.00 C ATOM 134 NE ARG A 45 17.726 -13.307 -24.401 1.00 0.00 N ATOM 135 CZ ARG A 45 18.942 -13.713 -23.981 1.00 0.00 C ATOM 136 NH1 ARG A 45 19.171 -13.939 -22.681 1.00 0.00 N ATOM 137 NH2 ARG A 45 19.930 -13.887 -24.867 1.00 0.00 N ATOM 0 H ARG A 45 14.473 -10.031 -20.188 1.00 0.00 H new ATOM 0 HA ARG A 45 16.883 -11.326 -19.935 1.00 0.00 H new ATOM 0 HB2 ARG A 45 15.230 -11.922 -21.626 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.362 -10.352 -22.394 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.413 -10.849 -23.393 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.937 -11.866 -22.066 1.00 0.00 H new ATOM 0 HD2 ARG A 45 16.415 -13.677 -22.794 1.00 0.00 H new ATOM 0 HD3 ARG A 45 15.753 -12.655 -24.055 1.00 0.00 H new ATOM 0 HE ARG A 45 17.537 -13.302 -25.403 1.00 0.00 H new ATOM 0 HH11 ARG A 45 18.423 -13.804 -22.000 1.00 0.00 H new ATOM 0 HH12 ARG A 45 20.093 -14.246 -22.371 1.00 0.00 H new ATOM 0 HH21 ARG A 45 19.763 -13.713 -25.858 1.00 0.00 H new ATOM 0 HH22 ARG A 45 20.850 -14.194 -24.551 1.00 0.00 H new ATOM 151 N GLU A 46 17.291 -8.305 -21.233 1.00 0.00 N ATOM 152 CA GLU A 46 18.308 -7.304 -21.532 1.00 0.00 C ATOM 153 C GLU A 46 19.224 -7.125 -20.316 1.00 0.00 C ATOM 154 O GLU A 46 20.445 -7.225 -20.432 1.00 0.00 O ATOM 155 CB GLU A 46 17.621 -5.983 -21.915 1.00 0.00 C ATOM 156 CG GLU A 46 18.571 -5.109 -22.749 1.00 0.00 C ATOM 157 CD GLU A 46 19.733 -4.582 -21.911 1.00 0.00 C ATOM 158 OE1 GLU A 46 19.445 -3.980 -20.855 1.00 0.00 O ATOM 159 OE2 GLU A 46 20.887 -4.791 -22.345 1.00 0.00 O ATOM 0 H GLU A 46 16.332 -7.980 -21.352 1.00 0.00 H new ATOM 0 HA GLU A 46 18.921 -7.629 -22.372 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.713 -6.189 -22.482 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.320 -5.448 -21.015 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.959 -5.689 -23.586 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.018 -4.271 -23.172 1.00 0.00 H new ATOM 166 N GLU A 47 18.624 -6.866 -19.148 1.00 0.00 N ATOM 167 CA GLU A 47 19.372 -6.666 -17.919 1.00 0.00 C ATOM 168 C GLU A 47 20.131 -7.943 -17.539 1.00 0.00 C ATOM 169 O GLU A 47 21.224 -7.866 -16.990 1.00 0.00 O ATOM 170 CB GLU A 47 18.407 -6.258 -16.801 1.00 0.00 C ATOM 171 CG GLU A 47 19.167 -5.508 -15.701 1.00 0.00 C ATOM 172 CD GLU A 47 19.172 -4.007 -15.967 1.00 0.00 C ATOM 173 OE1 GLU A 47 18.150 -3.369 -15.621 1.00 0.00 O ATOM 174 OE2 GLU A 47 20.192 -3.524 -16.504 1.00 0.00 O ATOM 0 H GLU A 47 17.613 -6.791 -19.037 1.00 0.00 H new ATOM 0 HA GLU A 47 20.104 -5.872 -18.067 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.616 -5.625 -17.205 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.926 -7.143 -16.384 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.706 -5.708 -14.734 1.00 0.00 H new ATOM 0 HG3 GLU A 47 20.192 -5.875 -15.647 1.00 0.00 H new ATOM 181 N ASP A 48 19.554 -9.118 -17.831 1.00 0.00 N ATOM 182 CA ASP A 48 20.194 -10.390 -17.513 1.00 0.00 C ATOM 183 C ASP A 48 21.445 -10.575 -18.372 1.00 0.00 C ATOM 184 O ASP A 48 22.476 -11.015 -17.872 1.00 0.00 O ATOM 185 CB ASP A 48 19.208 -11.543 -17.733 1.00 0.00 C ATOM 186 CG ASP A 48 18.061 -11.493 -16.729 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.335 -11.142 -15.562 1.00 0.00 O ATOM 188 OD2 ASP A 48 16.925 -11.813 -17.141 1.00 0.00 O ATOM 0 H ASP A 48 18.646 -9.207 -18.287 1.00 0.00 H new ATOM 0 HA ASP A 48 20.493 -10.388 -16.465 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.809 -11.494 -18.746 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.732 -12.494 -17.642 1.00 0.00 H new ATOM 193 N GLU A 49 21.360 -10.232 -19.663 1.00 0.00 N ATOM 194 CA GLU A 49 22.500 -10.332 -20.565 1.00 0.00 C ATOM 195 C GLU A 49 23.564 -9.322 -20.134 1.00 0.00 C ATOM 196 O GLU A 49 24.757 -9.619 -20.163 1.00 0.00 O ATOM 197 CB GLU A 49 22.045 -10.069 -22.006 1.00 0.00 C ATOM 198 CG GLU A 49 21.238 -11.265 -22.533 1.00 0.00 C ATOM 199 CD GLU A 49 22.139 -12.463 -22.821 1.00 0.00 C ATOM 200 OE1 GLU A 49 23.124 -12.274 -23.567 1.00 0.00 O ATOM 201 OE2 GLU A 49 21.828 -13.557 -22.292 1.00 0.00 O ATOM 0 H GLU A 49 20.508 -9.882 -20.102 1.00 0.00 H new ATOM 0 HA GLU A 49 22.926 -11.334 -20.522 1.00 0.00 H new ATOM 0 HB2 GLU A 49 21.437 -9.165 -22.044 1.00 0.00 H new ATOM 0 HB3 GLU A 49 22.912 -9.897 -22.643 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.481 -11.545 -21.801 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.711 -10.977 -23.443 1.00 0.00 H new ATOM 208 N LYS A 50 23.123 -8.128 -19.723 1.00 0.00 N ATOM 209 CA LYS A 50 24.021 -7.090 -19.246 1.00 0.00 C ATOM 210 C LYS A 50 24.745 -7.587 -17.990 1.00 0.00 C ATOM 211 O LYS A 50 25.963 -7.453 -17.875 1.00 0.00 O ATOM 212 CB LYS A 50 23.197 -5.831 -18.950 1.00 0.00 C ATOM 213 CG LYS A 50 24.117 -4.634 -18.714 1.00 0.00 C ATOM 214 CD LYS A 50 23.265 -3.422 -18.331 1.00 0.00 C ATOM 215 CE LYS A 50 24.161 -2.198 -18.135 1.00 0.00 C ATOM 216 NZ LYS A 50 23.422 -1.108 -17.474 1.00 0.00 N ATOM 0 H LYS A 50 22.138 -7.863 -19.714 1.00 0.00 H new ATOM 0 HA LYS A 50 24.772 -6.851 -19.999 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.527 -5.623 -19.784 1.00 0.00 H new ATOM 0 HB3 LYS A 50 22.572 -5.996 -18.072 1.00 0.00 H new ATOM 0 HG2 LYS A 50 24.831 -4.858 -17.922 1.00 0.00 H new ATOM 0 HG3 LYS A 50 24.695 -4.420 -19.613 1.00 0.00 H new ATOM 0 HD2 LYS A 50 22.528 -3.224 -19.109 1.00 0.00 H new ATOM 0 HD3 LYS A 50 22.712 -3.630 -17.415 1.00 0.00 H new ATOM 0 HE2 LYS A 50 25.030 -2.470 -17.535 1.00 0.00 H new ATOM 0 HE3 LYS A 50 24.534 -1.857 -19.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 23.394 -0.278 -18.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 22.451 -1.421 -17.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 23.898 -0.855 -16.585 1.00 0.00 H new ATOM 230 N LEU A 51 23.983 -8.170 -17.057 1.00 0.00 N ATOM 231 CA LEU A 51 24.527 -8.711 -15.821 1.00 0.00 C ATOM 232 C LEU A 51 25.541 -9.803 -16.152 1.00 0.00 C ATOM 233 O LEU A 51 26.647 -9.802 -15.625 1.00 0.00 O ATOM 234 CB LEU A 51 23.367 -9.263 -14.973 1.00 0.00 C ATOM 235 CG LEU A 51 23.884 -9.930 -13.689 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.543 -8.890 -12.783 1.00 0.00 C ATOM 237 CD2 LEU A 51 22.709 -10.569 -12.946 1.00 0.00 C ATOM 0 H LEU A 51 22.972 -8.276 -17.144 1.00 0.00 H new ATOM 0 HA LEU A 51 25.039 -7.935 -15.251 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.684 -8.453 -14.715 1.00 0.00 H new ATOM 0 HB3 LEU A 51 22.798 -9.986 -15.558 1.00 0.00 H new ATOM 0 HG LEU A 51 24.619 -10.690 -13.954 1.00 0.00 H new ATOM 0 HD11 LEU A 51 24.905 -9.375 -11.876 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.380 -8.429 -13.307 1.00 0.00 H new ATOM 0 HD13 LEU A 51 23.814 -8.124 -12.518 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.070 -11.044 -12.034 1.00 0.00 H new ATOM 0 HD22 LEU A 51 21.979 -9.801 -12.691 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.239 -11.318 -13.584 1.00 0.00 H new ATOM 249 N LYS A 52 25.153 -10.728 -17.036 1.00 0.00 N ATOM 250 CA LYS A 52 26.016 -11.816 -17.467 1.00 0.00 C ATOM 251 C LYS A 52 27.346 -11.256 -17.969 1.00 0.00 C ATOM 252 O LYS A 52 28.408 -11.704 -17.544 1.00 0.00 O ATOM 253 CB LYS A 52 25.296 -12.595 -18.573 1.00 0.00 C ATOM 254 CG LYS A 52 26.196 -13.709 -19.123 1.00 0.00 C ATOM 255 CD LYS A 52 25.433 -14.512 -20.185 1.00 0.00 C ATOM 256 CE LYS A 52 25.382 -13.725 -21.502 1.00 0.00 C ATOM 257 NZ LYS A 52 24.456 -14.350 -22.461 1.00 0.00 N ATOM 0 H LYS A 52 24.230 -10.737 -17.469 1.00 0.00 H new ATOM 0 HA LYS A 52 26.229 -12.486 -16.634 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.374 -13.025 -18.181 1.00 0.00 H new ATOM 0 HB3 LYS A 52 25.014 -11.917 -19.378 1.00 0.00 H new ATOM 0 HG2 LYS A 52 27.099 -13.280 -19.557 1.00 0.00 H new ATOM 0 HG3 LYS A 52 26.513 -14.367 -18.314 1.00 0.00 H new ATOM 0 HD2 LYS A 52 25.920 -15.474 -20.345 1.00 0.00 H new ATOM 0 HD3 LYS A 52 24.421 -14.721 -19.837 1.00 0.00 H new ATOM 0 HE2 LYS A 52 25.068 -12.700 -21.304 1.00 0.00 H new ATOM 0 HE3 LYS A 52 26.380 -13.674 -21.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 24.312 -13.713 -23.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 24.858 -15.249 -22.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 23.544 -14.531 -21.995 1.00 0.00 H new ATOM 271 N LYS A 53 27.281 -10.275 -18.876 1.00 0.00 N ATOM 272 CA LYS A 53 28.474 -9.663 -19.437 1.00 0.00 C ATOM 273 C LYS A 53 29.354 -9.101 -18.320 1.00 0.00 C ATOM 274 O LYS A 53 30.550 -9.360 -18.292 1.00 0.00 O ATOM 275 CB LYS A 53 28.065 -8.558 -20.418 1.00 0.00 C ATOM 276 CG LYS A 53 29.312 -7.972 -21.090 1.00 0.00 C ATOM 277 CD LYS A 53 28.898 -6.882 -22.080 1.00 0.00 C ATOM 278 CE LYS A 53 30.147 -6.259 -22.708 1.00 0.00 C ATOM 279 NZ LYS A 53 29.787 -5.190 -23.657 1.00 0.00 N ATOM 0 H LYS A 53 26.406 -9.891 -19.234 1.00 0.00 H new ATOM 0 HA LYS A 53 29.051 -10.415 -19.974 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.389 -8.961 -21.173 1.00 0.00 H new ATOM 0 HB3 LYS A 53 27.522 -7.773 -19.891 1.00 0.00 H new ATOM 0 HG2 LYS A 53 29.982 -7.558 -20.337 1.00 0.00 H new ATOM 0 HG3 LYS A 53 29.861 -8.758 -21.608 1.00 0.00 H new ATOM 0 HD2 LYS A 53 28.260 -7.305 -22.856 1.00 0.00 H new ATOM 0 HD3 LYS A 53 28.314 -6.116 -21.570 1.00 0.00 H new ATOM 0 HE2 LYS A 53 30.788 -5.854 -21.925 1.00 0.00 H new ATOM 0 HE3 LYS A 53 30.721 -7.029 -23.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 30.652 -4.785 -24.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 29.195 -5.584 -24.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 29.260 -4.446 -23.158 1.00 0.00 H new ATOM 293 N LEU A 54 28.759 -8.326 -17.406 1.00 0.00 N ATOM 294 CA LEU A 54 29.500 -7.711 -16.310 1.00 0.00 C ATOM 295 C LEU A 54 30.158 -8.781 -15.431 1.00 0.00 C ATOM 296 O LEU A 54 31.309 -8.620 -15.024 1.00 0.00 O ATOM 297 CB LEU A 54 28.550 -6.841 -15.476 1.00 0.00 C ATOM 298 CG LEU A 54 28.132 -5.592 -16.268 1.00 0.00 C ATOM 299 CD1 LEU A 54 26.913 -4.955 -15.596 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.283 -4.580 -16.297 1.00 0.00 C ATOM 0 H LEU A 54 27.762 -8.112 -17.408 1.00 0.00 H new ATOM 0 HA LEU A 54 30.290 -7.085 -16.724 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.667 -7.417 -15.201 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.039 -6.544 -14.548 1.00 0.00 H new ATOM 0 HG LEU A 54 27.885 -5.880 -17.290 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.612 -4.068 -16.154 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.091 -5.670 -15.581 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.167 -4.672 -14.574 1.00 0.00 H new ATOM 0 HD21 LEU A 54 28.978 -3.698 -16.860 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.538 -4.289 -15.278 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.153 -5.032 -16.774 1.00 0.00 H new ATOM 312 N VAL A 55 29.432 -9.865 -15.136 1.00 0.00 N ATOM 313 CA VAL A 55 29.947 -10.941 -14.297 1.00 0.00 C ATOM 314 C VAL A 55 31.176 -11.574 -14.951 1.00 0.00 C ATOM 315 O VAL A 55 32.218 -11.693 -14.314 1.00 0.00 O ATOM 316 CB VAL A 55 28.841 -11.986 -14.067 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.442 -13.278 -13.502 1.00 0.00 C ATOM 318 CG2 VAL A 55 27.819 -11.436 -13.071 1.00 0.00 C ATOM 0 H VAL A 55 28.480 -10.016 -15.471 1.00 0.00 H new ATOM 0 HA VAL A 55 30.251 -10.539 -13.331 1.00 0.00 H new ATOM 0 HB VAL A 55 28.357 -12.200 -15.020 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.649 -14.009 -13.344 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.170 -13.679 -14.207 1.00 0.00 H new ATOM 0 HG13 VAL A 55 29.934 -13.066 -12.553 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.035 -12.176 -12.908 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.314 -11.217 -12.125 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.378 -10.522 -13.469 1.00 0.00 H new ATOM 328 N GLU A 56 31.052 -11.982 -16.216 1.00 0.00 N ATOM 329 CA GLU A 56 32.149 -12.623 -16.930 1.00 0.00 C ATOM 330 C GLU A 56 33.308 -11.641 -17.131 1.00 0.00 C ATOM 331 O GLU A 56 34.470 -12.034 -17.065 1.00 0.00 O ATOM 332 CB GLU A 56 31.640 -13.142 -18.281 1.00 0.00 C ATOM 333 CG GLU A 56 30.577 -14.229 -18.066 1.00 0.00 C ATOM 334 CD GLU A 56 31.153 -15.424 -17.315 1.00 0.00 C ATOM 335 OE1 GLU A 56 32.068 -16.060 -17.878 1.00 0.00 O ATOM 336 OE2 GLU A 56 30.667 -15.676 -16.190 1.00 0.00 O ATOM 0 H GLU A 56 30.199 -11.878 -16.765 1.00 0.00 H new ATOM 0 HA GLU A 56 32.520 -13.462 -16.340 1.00 0.00 H new ATOM 0 HB2 GLU A 56 31.218 -12.320 -18.859 1.00 0.00 H new ATOM 0 HB3 GLU A 56 32.471 -13.545 -18.860 1.00 0.00 H new ATOM 0 HG2 GLU A 56 29.738 -13.815 -17.507 1.00 0.00 H new ATOM 0 HG3 GLU A 56 30.187 -14.556 -19.030 1.00 0.00 H new ATOM 343 N GLN A 57 32.988 -10.367 -17.382 1.00 0.00 N ATOM 344 CA GLN A 57 33.996 -9.341 -17.612 1.00 0.00 C ATOM 345 C GLN A 57 34.846 -9.132 -16.359 1.00 0.00 C ATOM 346 O GLN A 57 36.070 -9.224 -16.418 1.00 0.00 O ATOM 347 CB GLN A 57 33.296 -8.033 -18.009 1.00 0.00 C ATOM 348 CG GLN A 57 34.332 -6.955 -18.337 1.00 0.00 C ATOM 349 CD GLN A 57 33.648 -5.625 -18.634 1.00 0.00 C ATOM 350 OE1 GLN A 57 33.054 -5.453 -19.696 1.00 0.00 O ATOM 351 NE2 GLN A 57 33.729 -4.683 -17.693 1.00 0.00 N ATOM 0 H GLN A 57 32.028 -10.025 -17.430 1.00 0.00 H new ATOM 0 HA GLN A 57 34.658 -9.659 -18.417 1.00 0.00 H new ATOM 0 HB2 GLN A 57 32.653 -8.204 -18.872 1.00 0.00 H new ATOM 0 HB3 GLN A 57 32.654 -7.695 -17.196 1.00 0.00 H new ATOM 0 HG2 GLN A 57 35.020 -6.837 -17.500 1.00 0.00 H new ATOM 0 HG3 GLN A 57 34.927 -7.264 -19.197 1.00 0.00 H new ATOM 0 HE21 GLN A 57 34.233 -4.870 -16.826 1.00 0.00 H new ATOM 0 HE22 GLN A 57 33.287 -3.776 -17.840 1.00 0.00 H new ATOM 360 N ASN A 58 34.192 -8.832 -15.232 1.00 0.00 N ATOM 361 CA ASN A 58 34.886 -8.544 -13.985 1.00 0.00 C ATOM 362 C ASN A 58 35.094 -9.829 -13.184 1.00 0.00 C ATOM 363 O ASN A 58 36.209 -10.344 -13.122 1.00 0.00 O ATOM 364 CB ASN A 58 34.077 -7.513 -13.185 1.00 0.00 C ATOM 365 CG ASN A 58 33.882 -6.231 -13.992 1.00 0.00 C ATOM 366 OD1 ASN A 58 34.684 -5.306 -13.897 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.814 -6.180 -14.790 1.00 0.00 N ATOM 0 H ASN A 58 33.175 -8.784 -15.164 1.00 0.00 H new ATOM 0 HA ASN A 58 35.870 -8.128 -14.199 1.00 0.00 H new ATOM 0 HB2 ASN A 58 33.106 -7.932 -12.920 1.00 0.00 H new ATOM 0 HB3 ASN A 58 34.592 -7.286 -12.251 1.00 0.00 H new ATOM 0 HD21 ASN A 58 32.637 -5.348 -15.353 1.00 0.00 H new ATOM 0 HD22 ASN A 58 32.174 -6.973 -14.837 1.00 0.00 H new ATOM 374 N GLY A 59 34.022 -10.340 -12.568 1.00 0.00 N ATOM 375 CA GLY A 59 34.088 -11.549 -11.763 1.00 0.00 C ATOM 376 C GLY A 59 33.119 -11.442 -10.590 1.00 0.00 C ATOM 377 O GLY A 59 32.519 -10.389 -10.370 1.00 0.00 O ATOM 0 H GLY A 59 33.092 -9.924 -12.617 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.840 -12.417 -12.373 1.00 0.00 H new ATOM 0 HA3 GLY A 59 35.103 -11.697 -11.395 1.00 0.00 H new ATOM 381 N THR A 60 32.971 -12.534 -9.833 1.00 0.00 N ATOM 382 CA THR A 60 32.083 -12.567 -8.678 1.00 0.00 C ATOM 383 C THR A 60 32.808 -11.978 -7.462 1.00 0.00 C ATOM 384 O THR A 60 33.007 -12.658 -6.457 1.00 0.00 O ATOM 385 CB THR A 60 31.638 -14.015 -8.423 1.00 0.00 C ATOM 386 OG1 THR A 60 32.771 -14.852 -8.293 1.00 0.00 O ATOM 387 CG2 THR A 60 30.783 -14.506 -9.595 1.00 0.00 C ATOM 0 H THR A 60 33.462 -13.411 -10.006 1.00 0.00 H new ATOM 0 HA THR A 60 31.193 -11.965 -8.865 1.00 0.00 H new ATOM 0 HB THR A 60 31.054 -14.048 -7.503 1.00 0.00 H new ATOM 0 HG1 THR A 60 33.290 -14.581 -7.507 1.00 0.00 H new ATOM 0 HG21 THR A 60 30.469 -15.533 -9.411 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.903 -13.870 -9.695 1.00 0.00 H new ATOM 0 HG23 THR A 60 31.367 -14.464 -10.514 1.00 0.00 H new ATOM 395 N ASP A 61 33.206 -10.703 -7.573 1.00 0.00 N ATOM 396 CA ASP A 61 33.932 -10.010 -6.518 1.00 0.00 C ATOM 397 C ASP A 61 32.938 -9.447 -5.485 1.00 0.00 C ATOM 398 O ASP A 61 32.022 -10.151 -5.065 1.00 0.00 O ATOM 399 CB ASP A 61 34.780 -8.906 -7.171 1.00 0.00 C ATOM 400 CG ASP A 61 35.845 -8.382 -6.215 1.00 0.00 C ATOM 401 OD1 ASP A 61 36.807 -9.138 -5.966 1.00 0.00 O ATOM 402 OD2 ASP A 61 35.671 -7.234 -5.755 1.00 0.00 O ATOM 0 H ASP A 61 33.030 -10.130 -8.398 1.00 0.00 H new ATOM 0 HA ASP A 61 34.595 -10.690 -5.983 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.257 -9.296 -8.070 1.00 0.00 H new ATOM 0 HB3 ASP A 61 34.134 -8.086 -7.483 1.00 0.00 H new ATOM 407 N ASP A 62 33.115 -8.179 -5.080 1.00 0.00 N ATOM 408 CA ASP A 62 32.229 -7.536 -4.110 1.00 0.00 C ATOM 409 C ASP A 62 30.846 -7.291 -4.702 1.00 0.00 C ATOM 410 O ASP A 62 29.935 -6.909 -3.973 1.00 0.00 O ATOM 411 CB ASP A 62 32.835 -6.197 -3.667 1.00 0.00 C ATOM 412 CG ASP A 62 33.045 -6.164 -2.160 1.00 0.00 C ATOM 413 OD1 ASP A 62 32.075 -5.771 -1.467 1.00 0.00 O ATOM 414 OD2 ASP A 62 34.157 -6.528 -1.728 1.00 0.00 O ATOM 0 H ASP A 62 33.870 -7.580 -5.415 1.00 0.00 H new ATOM 0 HA ASP A 62 32.124 -8.202 -3.254 1.00 0.00 H new ATOM 0 HB2 ASP A 62 33.787 -6.040 -4.174 1.00 0.00 H new ATOM 0 HB3 ASP A 62 32.177 -5.380 -3.964 1.00 0.00 H new ATOM 419 N TRP A 63 30.700 -7.488 -6.024 1.00 0.00 N ATOM 420 CA TRP A 63 29.448 -7.244 -6.736 1.00 0.00 C ATOM 421 C TRP A 63 29.099 -5.745 -6.721 1.00 0.00 C ATOM 422 O TRP A 63 28.059 -5.350 -7.245 1.00 0.00 O ATOM 423 CB TRP A 63 28.312 -8.099 -6.148 1.00 0.00 C ATOM 424 CG TRP A 63 28.398 -9.552 -6.477 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.965 -10.500 -5.712 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.899 -10.249 -7.651 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.867 -11.734 -6.308 1.00 0.00 N ATOM 428 CE2 TRP A 63 28.210 -11.639 -7.521 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.211 -9.853 -8.818 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.857 -12.578 -8.492 1.00 0.00 C ATOM 431 CZ3 TRP A 63 26.855 -10.794 -9.800 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.178 -12.154 -9.639 1.00 0.00 C ATOM 0 H TRP A 63 31.454 -7.822 -6.624 1.00 0.00 H new ATOM 0 HA TRP A 63 29.576 -7.541 -7.777 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.311 -7.984 -5.064 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.359 -7.713 -6.510 1.00 0.00 H new ATOM 0 HD1 TRP A 63 29.435 -10.317 -4.757 1.00 0.00 H new ATOM 0 HE1 TRP A 63 29.229 -12.601 -5.910 1.00 0.00 H new ATOM 0 HE3 TRP A 63 26.955 -8.813 -8.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 28.106 -13.621 -8.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.329 -10.470 -10.686 1.00 0.00 H new ATOM 0 HH2 TRP A 63 26.902 -12.869 -10.400 1.00 0.00 H new ATOM 443 N LYS A 64 29.977 -4.905 -6.141 1.00 0.00 N ATOM 444 CA LYS A 64 29.767 -3.465 -6.117 1.00 0.00 C ATOM 445 C LYS A 64 29.979 -2.932 -7.525 1.00 0.00 C ATOM 446 O LYS A 64 29.176 -2.152 -8.025 1.00 0.00 O ATOM 447 CB LYS A 64 30.762 -2.802 -5.141 1.00 0.00 C ATOM 448 CG LYS A 64 30.023 -2.055 -4.014 1.00 0.00 C ATOM 449 CD LYS A 64 30.106 -2.856 -2.705 1.00 0.00 C ATOM 450 CE LYS A 64 29.137 -4.039 -2.754 1.00 0.00 C ATOM 451 NZ LYS A 64 29.422 -5.013 -1.683 1.00 0.00 N ATOM 0 H LYS A 64 30.837 -5.210 -5.685 1.00 0.00 H new ATOM 0 HA LYS A 64 28.756 -3.237 -5.779 1.00 0.00 H new ATOM 0 HB2 LYS A 64 31.414 -3.562 -4.710 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.400 -2.106 -5.685 1.00 0.00 H new ATOM 0 HG2 LYS A 64 30.462 -1.067 -3.873 1.00 0.00 H new ATOM 0 HG3 LYS A 64 28.980 -1.904 -4.291 1.00 0.00 H new ATOM 0 HD2 LYS A 64 31.124 -3.215 -2.552 1.00 0.00 H new ATOM 0 HD3 LYS A 64 29.865 -2.212 -1.859 1.00 0.00 H new ATOM 0 HE2 LYS A 64 28.113 -3.677 -2.656 1.00 0.00 H new ATOM 0 HE3 LYS A 64 29.210 -4.531 -3.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 28.688 -5.750 -1.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 30.351 -5.450 -1.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 29.428 -4.526 -0.764 1.00 0.00 H new ATOM 465 N VAL A 65 31.074 -3.371 -8.160 1.00 0.00 N ATOM 466 CA VAL A 65 31.400 -2.966 -9.520 1.00 0.00 C ATOM 467 C VAL A 65 30.220 -3.274 -10.441 1.00 0.00 C ATOM 468 O VAL A 65 29.822 -2.439 -11.247 1.00 0.00 O ATOM 469 CB VAL A 65 32.661 -3.715 -9.983 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.008 -3.308 -11.419 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.837 -3.375 -9.063 1.00 0.00 C ATOM 0 H VAL A 65 31.749 -4.012 -7.743 1.00 0.00 H new ATOM 0 HA VAL A 65 31.595 -1.894 -9.554 1.00 0.00 H new ATOM 0 HB VAL A 65 32.469 -4.787 -9.944 1.00 0.00 H new ATOM 0 HG11 VAL A 65 33.902 -3.841 -11.742 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.177 -3.558 -12.079 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.192 -2.234 -11.459 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.727 -3.909 -9.397 1.00 0.00 H new ATOM 0 HG22 VAL A 65 34.025 -2.302 -9.094 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.598 -3.672 -8.042 1.00 0.00 H new ATOM 481 N ILE A 66 29.665 -4.481 -10.312 1.00 0.00 N ATOM 482 CA ILE A 66 28.543 -4.914 -11.126 1.00 0.00 C ATOM 483 C ILE A 66 27.307 -4.060 -10.812 1.00 0.00 C ATOM 484 O ILE A 66 26.640 -3.576 -11.726 1.00 0.00 O ATOM 485 CB ILE A 66 28.287 -6.408 -10.859 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.480 -7.224 -11.391 1.00 0.00 C ATOM 487 CG2 ILE A 66 26.999 -6.848 -11.562 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.441 -8.653 -10.855 1.00 0.00 C ATOM 0 H ILE A 66 29.984 -5.179 -9.640 1.00 0.00 H new ATOM 0 HA ILE A 66 28.767 -4.783 -12.185 1.00 0.00 H new ATOM 0 HB ILE A 66 28.177 -6.576 -9.788 1.00 0.00 H new ATOM 0 HG12 ILE A 66 29.459 -7.239 -12.481 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.414 -6.746 -11.096 1.00 0.00 H new ATOM 0 HG21 ILE A 66 26.823 -7.906 -11.370 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.160 -6.265 -11.182 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.097 -6.686 -12.635 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.293 -9.211 -11.244 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.486 -8.635 -9.766 1.00 0.00 H new ATOM 0 HD13 ILE A 66 28.516 -9.135 -11.172 1.00 0.00 H new ATOM 500 N ALA A 67 27.009 -3.877 -9.518 1.00 0.00 N ATOM 501 CA ALA A 67 25.853 -3.098 -9.085 1.00 0.00 C ATOM 502 C ALA A 67 25.940 -1.654 -9.585 1.00 0.00 C ATOM 503 O ALA A 67 24.918 -1.052 -9.903 1.00 0.00 O ATOM 504 CB ALA A 67 25.773 -3.125 -7.559 1.00 0.00 C ATOM 0 H ALA A 67 27.561 -4.263 -8.752 1.00 0.00 H new ATOM 0 HA ALA A 67 24.952 -3.541 -9.509 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.911 -2.545 -7.230 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.668 -4.155 -7.218 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.682 -2.695 -7.139 1.00 0.00 H new ATOM 510 N ASN A 68 27.155 -1.096 -9.649 1.00 0.00 N ATOM 511 CA ASN A 68 27.351 0.281 -10.092 1.00 0.00 C ATOM 512 C ASN A 68 26.763 0.483 -11.493 1.00 0.00 C ATOM 513 O ASN A 68 26.189 1.533 -11.775 1.00 0.00 O ATOM 514 CB ASN A 68 28.847 0.626 -10.082 1.00 0.00 C ATOM 515 CG ASN A 68 29.230 1.370 -8.807 1.00 0.00 C ATOM 516 OD1 ASN A 68 29.503 2.566 -8.843 1.00 0.00 O ATOM 517 ND2 ASN A 68 29.251 0.661 -7.679 1.00 0.00 N ATOM 0 H ASN A 68 28.016 -1.582 -9.398 1.00 0.00 H new ATOM 0 HA ASN A 68 26.832 0.949 -9.405 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.435 -0.288 -10.164 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.088 1.239 -10.951 1.00 0.00 H new ATOM 0 HD21 ASN A 68 29.501 1.111 -6.798 1.00 0.00 H new ATOM 0 HD22 ASN A 68 29.017 -0.332 -7.696 1.00 0.00 H new ATOM 524 N TYR A 69 26.908 -0.521 -12.370 1.00 0.00 N ATOM 525 CA TYR A 69 26.406 -0.435 -13.740 1.00 0.00 C ATOM 526 C TYR A 69 24.946 -0.900 -13.825 1.00 0.00 C ATOM 527 O TYR A 69 24.393 -0.982 -14.924 1.00 0.00 O ATOM 528 CB TYR A 69 27.290 -1.290 -14.652 1.00 0.00 C ATOM 529 CG TYR A 69 28.736 -0.840 -14.688 1.00 0.00 C ATOM 530 CD1 TYR A 69 29.068 0.419 -15.221 1.00 0.00 C ATOM 531 CD2 TYR A 69 29.749 -1.681 -14.194 1.00 0.00 C ATOM 532 CE1 TYR A 69 30.409 0.836 -15.258 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.090 -1.263 -14.232 1.00 0.00 C ATOM 534 CZ TYR A 69 31.420 -0.005 -14.763 1.00 0.00 C ATOM 535 OH TYR A 69 32.722 0.401 -14.801 1.00 0.00 O ATOM 0 H TYR A 69 27.371 -1.403 -12.149 1.00 0.00 H new ATOM 0 HA TYR A 69 26.441 0.605 -14.064 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.249 -2.326 -14.317 1.00 0.00 H new ATOM 0 HB3 TYR A 69 26.885 -1.266 -15.664 1.00 0.00 H new ATOM 0 HD1 TYR A 69 28.291 1.065 -15.602 1.00 0.00 H new ATOM 0 HD2 TYR A 69 29.496 -2.648 -13.785 1.00 0.00 H new ATOM 0 HE1 TYR A 69 30.663 1.803 -15.667 1.00 0.00 H new ATOM 0 HE2 TYR A 69 31.868 -1.909 -13.853 1.00 0.00 H new ATOM 0 HH TYR A 69 33.294 -0.297 -14.419 1.00 0.00 H new ATOM 545 N LEU A 70 24.320 -1.206 -12.677 1.00 0.00 N ATOM 546 CA LEU A 70 22.937 -1.668 -12.640 1.00 0.00 C ATOM 547 C LEU A 70 22.152 -0.863 -11.598 1.00 0.00 C ATOM 548 O LEU A 70 21.987 -1.314 -10.465 1.00 0.00 O ATOM 549 CB LEU A 70 22.911 -3.163 -12.292 1.00 0.00 C ATOM 550 CG LEU A 70 23.561 -3.993 -13.410 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.799 -5.413 -12.906 1.00 0.00 C ATOM 552 CD2 LEU A 70 22.641 -4.044 -14.632 1.00 0.00 C ATOM 0 H LEU A 70 24.760 -1.138 -11.759 1.00 0.00 H new ATOM 0 HA LEU A 70 22.473 -1.522 -13.615 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.439 -3.332 -11.353 1.00 0.00 H new ATOM 0 HB3 LEU A 70 21.882 -3.489 -12.142 1.00 0.00 H new ATOM 0 HG LEU A 70 24.507 -3.531 -13.693 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.260 -6.007 -13.695 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.460 -5.386 -12.039 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.847 -5.863 -12.623 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.112 -4.635 -15.418 1.00 0.00 H new ATOM 0 HD22 LEU A 70 21.692 -4.501 -14.354 1.00 0.00 H new ATOM 0 HD23 LEU A 70 22.463 -3.032 -14.996 1.00 0.00 H new ATOM 564 N PRO A 71 21.661 0.335 -11.974 1.00 0.00 N ATOM 565 CA PRO A 71 20.904 1.178 -11.075 1.00 0.00 C ATOM 566 C PRO A 71 19.664 0.443 -10.567 1.00 0.00 C ATOM 567 O PRO A 71 19.043 -0.311 -11.311 1.00 0.00 O ATOM 568 CB PRO A 71 20.527 2.425 -11.883 1.00 0.00 C ATOM 569 CG PRO A 71 21.177 2.276 -13.264 1.00 0.00 C ATOM 570 CD PRO A 71 21.837 0.897 -13.297 1.00 0.00 C ATOM 0 HA PRO A 71 21.482 1.449 -10.191 1.00 0.00 H new ATOM 0 HB2 PRO A 71 19.444 2.513 -11.974 1.00 0.00 H new ATOM 0 HB3 PRO A 71 20.880 3.328 -11.386 1.00 0.00 H new ATOM 0 HG2 PRO A 71 20.431 2.366 -14.054 1.00 0.00 H new ATOM 0 HG3 PRO A 71 21.914 3.061 -13.431 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.376 0.263 -14.054 1.00 0.00 H new ATOM 0 HD3 PRO A 71 22.895 0.977 -13.549 1.00 0.00 H new ATOM 578 N ASN A 72 19.319 0.674 -9.289 1.00 0.00 N ATOM 579 CA ASN A 72 18.159 0.057 -8.636 1.00 0.00 C ATOM 580 C ASN A 72 18.402 -1.432 -8.357 1.00 0.00 C ATOM 581 O ASN A 72 17.468 -2.142 -7.984 1.00 0.00 O ATOM 582 CB ASN A 72 16.888 0.251 -9.478 1.00 0.00 C ATOM 583 CG ASN A 72 16.718 1.707 -9.902 1.00 0.00 C ATOM 584 OD1 ASN A 72 16.789 2.023 -11.086 1.00 0.00 O ATOM 585 ND2 ASN A 72 16.493 2.593 -8.932 1.00 0.00 N ATOM 0 H ASN A 72 19.844 1.300 -8.678 1.00 0.00 H new ATOM 0 HA ASN A 72 18.015 0.557 -7.678 1.00 0.00 H new ATOM 0 HB2 ASN A 72 16.935 -0.384 -10.363 1.00 0.00 H new ATOM 0 HB3 ASN A 72 16.017 -0.066 -8.904 1.00 0.00 H new ATOM 0 HD21 ASN A 72 16.372 3.580 -9.161 1.00 0.00 H new ATOM 0 HD22 ASN A 72 16.442 2.284 -7.961 1.00 0.00 H new ATOM 592 N ARG A 73 19.650 -1.902 -8.523 1.00 0.00 N ATOM 593 CA ARG A 73 20.009 -3.291 -8.243 1.00 0.00 C ATOM 594 C ARG A 73 21.233 -3.302 -7.331 1.00 0.00 C ATOM 595 O ARG A 73 22.344 -3.030 -7.779 1.00 0.00 O ATOM 596 CB ARG A 73 20.312 -4.058 -9.549 1.00 0.00 C ATOM 597 CG ARG A 73 19.294 -3.728 -10.651 1.00 0.00 C ATOM 598 CD ARG A 73 17.912 -4.304 -10.311 1.00 0.00 C ATOM 599 NE ARG A 73 16.846 -3.507 -10.936 1.00 0.00 N ATOM 600 CZ ARG A 73 16.728 -3.353 -12.268 1.00 0.00 C ATOM 601 NH1 ARG A 73 17.485 -4.075 -13.098 1.00 0.00 N ATOM 602 NH2 ARG A 73 15.852 -2.472 -12.764 1.00 0.00 N ATOM 0 H ARG A 73 20.428 -1.330 -8.852 1.00 0.00 H new ATOM 0 HA ARG A 73 19.171 -3.788 -7.754 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.315 -3.808 -9.894 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.301 -5.130 -9.352 1.00 0.00 H new ATOM 0 HG2 ARG A 73 19.222 -2.647 -10.773 1.00 0.00 H new ATOM 0 HG3 ARG A 73 19.638 -4.134 -11.602 1.00 0.00 H new ATOM 0 HD2 ARG A 73 17.849 -5.337 -10.654 1.00 0.00 H new ATOM 0 HD3 ARG A 73 17.775 -4.319 -9.230 1.00 0.00 H new ATOM 0 HE ARG A 73 16.164 -3.049 -10.332 1.00 0.00 H new ATOM 0 HH11 ARG A 73 18.156 -4.746 -12.723 1.00 0.00 H new ATOM 0 HH12 ARG A 73 17.393 -3.955 -14.107 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.274 -1.917 -12.133 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.762 -2.355 -13.773 1.00 0.00 H new ATOM 616 N THR A 74 21.030 -3.614 -6.047 1.00 0.00 N ATOM 617 CA THR A 74 22.124 -3.657 -5.087 1.00 0.00 C ATOM 618 C THR A 74 23.026 -4.852 -5.388 1.00 0.00 C ATOM 619 O THR A 74 22.643 -5.751 -6.132 1.00 0.00 O ATOM 620 CB THR A 74 21.566 -3.756 -3.661 1.00 0.00 C ATOM 621 OG1 THR A 74 20.843 -4.959 -3.515 1.00 0.00 O ATOM 622 CG2 THR A 74 20.645 -2.566 -3.374 1.00 0.00 C ATOM 0 H THR A 74 20.116 -3.840 -5.654 1.00 0.00 H new ATOM 0 HA THR A 74 22.711 -2.742 -5.169 1.00 0.00 H new ATOM 0 HB THR A 74 22.396 -3.744 -2.954 1.00 0.00 H new ATOM 0 HG1 THR A 74 20.490 -5.020 -2.603 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.254 -2.645 -2.360 1.00 0.00 H new ATOM 0 HG22 THR A 74 21.208 -1.638 -3.475 1.00 0.00 H new ATOM 0 HG23 THR A 74 19.817 -2.567 -4.083 1.00 0.00 H new ATOM 630 N ASP A 75 24.222 -4.857 -4.798 1.00 0.00 N ATOM 631 CA ASP A 75 25.180 -5.937 -4.982 1.00 0.00 C ATOM 632 C ASP A 75 24.544 -7.275 -4.597 1.00 0.00 C ATOM 633 O ASP A 75 24.750 -8.278 -5.280 1.00 0.00 O ATOM 634 CB ASP A 75 26.436 -5.644 -4.145 1.00 0.00 C ATOM 635 CG ASP A 75 26.144 -5.621 -2.644 1.00 0.00 C ATOM 636 OD1 ASP A 75 25.105 -5.034 -2.269 1.00 0.00 O ATOM 637 OD2 ASP A 75 26.977 -6.186 -1.898 1.00 0.00 O ATOM 0 H ASP A 75 24.549 -4.113 -4.182 1.00 0.00 H new ATOM 0 HA ASP A 75 25.472 -6.004 -6.030 1.00 0.00 H new ATOM 0 HB2 ASP A 75 27.193 -6.400 -4.354 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.854 -4.683 -4.446 1.00 0.00 H new ATOM 642 N VAL A 76 23.764 -7.284 -3.512 1.00 0.00 N ATOM 643 CA VAL A 76 23.083 -8.487 -3.059 1.00 0.00 C ATOM 644 C VAL A 76 22.075 -8.944 -4.119 1.00 0.00 C ATOM 645 O VAL A 76 21.958 -10.139 -4.384 1.00 0.00 O ATOM 646 CB VAL A 76 22.380 -8.206 -1.721 1.00 0.00 C ATOM 647 CG1 VAL A 76 21.613 -9.453 -1.264 1.00 0.00 C ATOM 648 CG2 VAL A 76 23.419 -7.837 -0.657 1.00 0.00 C ATOM 0 H VAL A 76 23.592 -6.463 -2.932 1.00 0.00 H new ATOM 0 HA VAL A 76 23.809 -9.286 -2.910 1.00 0.00 H new ATOM 0 HB VAL A 76 21.684 -7.378 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 76 21.117 -9.248 -0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.867 -9.717 -2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 76 22.309 -10.282 -1.137 1.00 0.00 H new ATOM 0 HG21 VAL A 76 22.916 -7.639 0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 76 24.119 -8.663 -0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.962 -6.946 -0.973 1.00 0.00 H new ATOM 658 N GLN A 77 21.347 -7.992 -4.721 1.00 0.00 N ATOM 659 CA GLN A 77 20.340 -8.309 -5.727 1.00 0.00 C ATOM 660 C GLN A 77 21.009 -8.831 -6.997 1.00 0.00 C ATOM 661 O GLN A 77 20.503 -9.760 -7.618 1.00 0.00 O ATOM 662 CB GLN A 77 19.496 -7.061 -6.028 1.00 0.00 C ATOM 663 CG GLN A 77 18.161 -7.131 -5.272 1.00 0.00 C ATOM 664 CD GLN A 77 18.368 -7.109 -3.758 1.00 0.00 C ATOM 665 OE1 GLN A 77 18.782 -8.104 -3.170 1.00 0.00 O ATOM 666 NE2 GLN A 77 18.074 -5.971 -3.129 1.00 0.00 N ATOM 0 H GLN A 77 21.442 -6.996 -4.523 1.00 0.00 H new ATOM 0 HA GLN A 77 19.683 -9.090 -5.344 1.00 0.00 H new ATOM 0 HB2 GLN A 77 20.042 -6.164 -5.735 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.312 -6.987 -7.100 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.532 -6.291 -5.566 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.630 -8.040 -5.554 1.00 0.00 H new ATOM 0 HE21 GLN A 77 17.733 -5.169 -3.659 1.00 0.00 H new ATOM 0 HE22 GLN A 77 18.190 -5.902 -2.118 1.00 0.00 H new ATOM 675 N CYS A 78 22.143 -8.238 -7.382 1.00 0.00 N ATOM 676 CA CYS A 78 22.869 -8.669 -8.568 1.00 0.00 C ATOM 677 C CYS A 78 23.377 -10.093 -8.360 1.00 0.00 C ATOM 678 O CYS A 78 23.214 -10.948 -9.232 1.00 0.00 O ATOM 679 CB CYS A 78 24.035 -7.714 -8.839 1.00 0.00 C ATOM 680 SG CYS A 78 23.378 -6.069 -9.212 1.00 0.00 S ATOM 0 H CYS A 78 22.574 -7.458 -6.885 1.00 0.00 H new ATOM 0 HA CYS A 78 22.204 -8.654 -9.432 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.693 -7.668 -7.971 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.633 -8.078 -9.674 1.00 0.00 H new ATOM 0 HG CYS A 78 22.924 -5.525 -8.122 1.00 0.00 H new ATOM 686 N GLN A 79 23.990 -10.345 -7.196 1.00 0.00 N ATOM 687 CA GLN A 79 24.510 -11.659 -6.865 1.00 0.00 C ATOM 688 C GLN A 79 23.374 -12.681 -6.864 1.00 0.00 C ATOM 689 O GLN A 79 23.501 -13.746 -7.464 1.00 0.00 O ATOM 690 CB GLN A 79 25.198 -11.601 -5.498 1.00 0.00 C ATOM 691 CG GLN A 79 25.855 -12.950 -5.193 1.00 0.00 C ATOM 692 CD GLN A 79 26.812 -12.843 -4.010 1.00 0.00 C ATOM 693 OE1 GLN A 79 26.639 -11.995 -3.141 1.00 0.00 O ATOM 694 NE2 GLN A 79 27.826 -13.709 -3.981 1.00 0.00 N ATOM 0 H GLN A 79 24.134 -9.644 -6.469 1.00 0.00 H new ATOM 0 HA GLN A 79 25.242 -11.967 -7.611 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.948 -10.810 -5.491 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.470 -11.357 -4.724 1.00 0.00 H new ATOM 0 HG2 GLN A 79 25.086 -13.691 -4.976 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.397 -13.301 -6.072 1.00 0.00 H new ATOM 0 HE21 GLN A 79 27.930 -14.398 -4.726 1.00 0.00 H new ATOM 0 HE22 GLN A 79 28.497 -13.683 -3.213 1.00 0.00 H new ATOM 703 N HIS A 80 22.265 -12.351 -6.191 1.00 0.00 N ATOM 704 CA HIS A 80 21.111 -13.233 -6.116 1.00 0.00 C ATOM 705 C HIS A 80 20.582 -13.530 -7.511 1.00 0.00 C ATOM 706 O HIS A 80 20.381 -14.687 -7.857 1.00 0.00 O ATOM 707 CB HIS A 80 20.016 -12.579 -5.266 1.00 0.00 C ATOM 708 CG HIS A 80 20.140 -12.892 -3.799 1.00 0.00 C ATOM 709 ND1 HIS A 80 19.226 -12.430 -2.860 1.00 0.00 N ATOM 710 CD2 HIS A 80 21.046 -13.629 -3.075 1.00 0.00 C ATOM 711 CE1 HIS A 80 19.622 -12.906 -1.665 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.727 -13.651 -1.727 1.00 0.00 N ATOM 0 H HIS A 80 22.150 -11.470 -5.689 1.00 0.00 H new ATOM 0 HA HIS A 80 21.412 -14.172 -5.652 1.00 0.00 H new ATOM 0 HB2 HIS A 80 20.053 -11.499 -5.405 1.00 0.00 H new ATOM 0 HB3 HIS A 80 19.041 -12.913 -5.621 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.901 -14.130 -3.504 1.00 0.00 H new ATOM 0 HE1 HIS A 80 19.096 -12.704 -0.744 1.00 0.00 H new ATOM 0 HE2 HIS A 80 21.218 -14.122 -0.967 1.00 0.00 H new ATOM 720 N ARG A 81 20.347 -12.487 -8.310 1.00 0.00 N ATOM 721 CA ARG A 81 19.815 -12.658 -9.649 1.00 0.00 C ATOM 722 C ARG A 81 20.656 -13.670 -10.419 1.00 0.00 C ATOM 723 O ARG A 81 20.112 -14.572 -11.039 1.00 0.00 O ATOM 724 CB ARG A 81 19.785 -11.305 -10.375 1.00 0.00 C ATOM 725 CG ARG A 81 19.297 -11.482 -11.826 1.00 0.00 C ATOM 726 CD ARG A 81 17.864 -12.027 -11.845 1.00 0.00 C ATOM 727 NE ARG A 81 17.322 -12.038 -13.210 1.00 0.00 N ATOM 728 CZ ARG A 81 16.078 -12.455 -13.500 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.268 -12.883 -12.522 1.00 0.00 N ATOM 730 NH2 ARG A 81 15.645 -12.445 -14.767 1.00 0.00 N ATOM 0 H ARG A 81 20.519 -11.517 -8.046 1.00 0.00 H new ATOM 0 HA ARG A 81 18.795 -13.038 -9.587 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.127 -10.616 -9.845 1.00 0.00 H new ATOM 0 HB3 ARG A 81 20.781 -10.862 -10.371 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.336 -10.526 -12.349 1.00 0.00 H new ATOM 0 HG3 ARG A 81 19.959 -12.164 -12.359 1.00 0.00 H new ATOM 0 HD2 ARG A 81 17.850 -13.037 -11.436 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.230 -11.415 -11.203 1.00 0.00 H new ATOM 0 HE ARG A 81 17.917 -11.714 -13.973 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.596 -12.892 -11.556 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.324 -13.199 -12.744 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.260 -12.121 -15.513 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.700 -12.762 -14.986 1.00 0.00 H new ATOM 744 N TRP A 82 21.982 -13.520 -10.387 1.00 0.00 N ATOM 745 CA TRP A 82 22.855 -14.415 -11.120 1.00 0.00 C ATOM 746 C TRP A 82 22.903 -15.804 -10.468 1.00 0.00 C ATOM 747 O TRP A 82 22.403 -16.769 -11.033 1.00 0.00 O ATOM 748 CB TRP A 82 24.262 -13.823 -11.213 1.00 0.00 C ATOM 749 CG TRP A 82 25.224 -14.712 -11.934 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.180 -15.462 -11.363 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.312 -14.999 -13.362 1.00 0.00 C ATOM 752 NE1 TRP A 82 26.852 -16.201 -12.303 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.354 -15.957 -13.567 1.00 0.00 C ATOM 754 CE3 TRP A 82 24.613 -14.560 -14.511 1.00 0.00 C ATOM 755 CZ2 TRP A 82 26.677 -16.454 -14.831 1.00 0.00 C ATOM 756 CZ3 TRP A 82 24.937 -15.062 -15.790 1.00 0.00 C ATOM 757 CH2 TRP A 82 25.963 -16.011 -15.946 1.00 0.00 C ATOM 0 H TRP A 82 22.464 -12.790 -9.863 1.00 0.00 H new ATOM 0 HA TRP A 82 22.451 -14.531 -12.126 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.212 -12.861 -11.723 1.00 0.00 H new ATOM 0 HB3 TRP A 82 24.637 -13.631 -10.208 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.392 -15.481 -10.304 1.00 0.00 H new ATOM 0 HE1 TRP A 82 27.616 -16.844 -12.096 1.00 0.00 H new ATOM 0 HE3 TRP A 82 23.822 -13.832 -14.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 27.473 -17.175 -14.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 24.393 -14.714 -16.656 1.00 0.00 H new ATOM 0 HH2 TRP A 82 26.198 -16.397 -16.927 1.00 0.00 H new ATOM 768 N GLN A 83 23.530 -15.898 -9.293 1.00 0.00 N ATOM 769 CA GLN A 83 23.760 -17.175 -8.620 1.00 0.00 C ATOM 770 C GLN A 83 22.464 -17.956 -8.377 1.00 0.00 C ATOM 771 O GLN A 83 22.453 -19.178 -8.513 1.00 0.00 O ATOM 772 CB GLN A 83 24.467 -16.919 -7.283 1.00 0.00 C ATOM 773 CG GLN A 83 25.849 -16.294 -7.526 1.00 0.00 C ATOM 774 CD GLN A 83 26.618 -16.080 -6.218 1.00 0.00 C ATOM 775 OE1 GLN A 83 27.732 -15.562 -6.236 1.00 0.00 O ATOM 776 NE2 GLN A 83 26.031 -16.470 -5.083 1.00 0.00 N ATOM 0 H GLN A 83 23.891 -15.092 -8.784 1.00 0.00 H new ATOM 0 HA GLN A 83 24.383 -17.785 -9.274 1.00 0.00 H new ATOM 0 HB2 GLN A 83 23.863 -16.255 -6.665 1.00 0.00 H new ATOM 0 HB3 GLN A 83 24.574 -17.855 -6.735 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.428 -16.940 -8.186 1.00 0.00 H new ATOM 0 HG3 GLN A 83 25.730 -15.339 -8.038 1.00 0.00 H new ATOM 0 HE21 GLN A 83 25.105 -16.896 -5.108 1.00 0.00 H new ATOM 0 HE22 GLN A 83 26.509 -16.341 -4.191 1.00 0.00 H new ATOM 785 N LYS A 84 21.387 -17.269 -7.990 1.00 0.00 N ATOM 786 CA LYS A 84 20.142 -17.935 -7.623 1.00 0.00 C ATOM 787 C LYS A 84 19.239 -18.215 -8.836 1.00 0.00 C ATOM 788 O LYS A 84 18.169 -18.796 -8.660 1.00 0.00 O ATOM 789 CB LYS A 84 19.405 -17.069 -6.588 1.00 0.00 C ATOM 790 CG LYS A 84 18.654 -17.963 -5.593 1.00 0.00 C ATOM 791 CD LYS A 84 17.637 -17.134 -4.792 1.00 0.00 C ATOM 792 CE LYS A 84 18.333 -15.988 -4.040 1.00 0.00 C ATOM 793 NZ LYS A 84 19.373 -16.493 -3.124 1.00 0.00 N ATOM 0 H LYS A 84 21.355 -16.252 -7.924 1.00 0.00 H new ATOM 0 HA LYS A 84 20.389 -18.907 -7.197 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.117 -16.438 -6.056 1.00 0.00 H new ATOM 0 HB3 LYS A 84 18.704 -16.403 -7.092 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.141 -18.762 -6.128 1.00 0.00 H new ATOM 0 HG3 LYS A 84 19.362 -18.437 -4.914 1.00 0.00 H new ATOM 0 HD2 LYS A 84 16.883 -16.727 -5.466 1.00 0.00 H new ATOM 0 HD3 LYS A 84 17.117 -17.777 -4.082 1.00 0.00 H new ATOM 0 HE2 LYS A 84 18.782 -15.301 -4.757 1.00 0.00 H new ATOM 0 HE3 LYS A 84 17.593 -15.421 -3.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 19.570 -15.778 -2.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 19.041 -17.368 -2.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 20.242 -16.689 -3.660 1.00 0.00 H new ATOM 807 N VAL A 85 19.643 -17.815 -10.061 1.00 0.00 N ATOM 808 CA VAL A 85 18.810 -18.050 -11.246 1.00 0.00 C ATOM 809 C VAL A 85 19.667 -18.485 -12.442 1.00 0.00 C ATOM 810 O VAL A 85 19.510 -19.601 -12.936 1.00 0.00 O ATOM 811 CB VAL A 85 17.996 -16.785 -11.592 1.00 0.00 C ATOM 812 CG1 VAL A 85 16.883 -17.149 -12.578 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.369 -16.183 -10.325 1.00 0.00 C ATOM 0 H VAL A 85 20.525 -17.337 -10.247 1.00 0.00 H new ATOM 0 HA VAL A 85 18.115 -18.858 -11.018 1.00 0.00 H new ATOM 0 HB VAL A 85 18.667 -16.051 -12.038 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.308 -16.256 -12.823 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.322 -17.558 -13.488 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.225 -17.892 -12.126 1.00 0.00 H new ATOM 0 HG21 VAL A 85 16.799 -15.292 -10.589 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.705 -16.915 -9.864 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.157 -15.914 -9.621 1.00 0.00 H new ATOM 823 N LEU A 86 20.559 -17.606 -12.917 1.00 0.00 N ATOM 824 CA LEU A 86 21.389 -17.904 -14.081 1.00 0.00 C ATOM 825 C LEU A 86 22.342 -19.055 -13.765 1.00 0.00 C ATOM 826 O LEU A 86 22.852 -19.160 -12.652 1.00 0.00 O ATOM 827 CB LEU A 86 22.200 -16.662 -14.493 1.00 0.00 C ATOM 828 CG LEU A 86 21.349 -15.637 -15.278 1.00 0.00 C ATOM 829 CD1 LEU A 86 20.737 -16.280 -16.526 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.241 -15.067 -14.395 1.00 0.00 C ATOM 0 H LEU A 86 20.721 -16.685 -12.510 1.00 0.00 H new ATOM 0 HA LEU A 86 20.737 -18.192 -14.906 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.607 -16.185 -13.602 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.048 -16.971 -15.105 1.00 0.00 H new ATOM 0 HG LEU A 86 22.007 -14.825 -15.588 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.143 -15.540 -17.062 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.533 -16.645 -17.175 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.099 -17.113 -16.230 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.654 -14.348 -14.966 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.594 -15.876 -14.056 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.683 -14.570 -13.532 1.00 0.00 H new