USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 372 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.159 USER MOD Single : A 50 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.101) USER MOD Single : A 52 LYS NZ :NH3+ 167:sc= 1.23 (180deg=1.12) USER MOD Single : A 53 LYS NZ :NH3+ -154:sc= 2.28 (180deg=0.767) USER MOD Single : A 57 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.18) USER MOD Single : A 58 ASN : amide:sc= 0.864 K(o=0.86,f=-0.28) USER MOD Single : A 60 THR OG1 : rot 55:sc= 0.0575 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0.941 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 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.039 USER MOD Single : A 77 GLN : amide:sc= 0.043 K(o=0.043,f=-2.5!) USER MOD Single : A 78 CYS SG : rot 170:sc= -0.72 USER MOD Single : A 79 GLN : amide:sc= 0.0766 X(o=0.077,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.286 X(o=-0.29,f=-0.18) USER MOD Single : A 83 GLN : amide:sc= -0.129 K(o=-0.13,f=-1.3) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.301 -8.056 -12.915 1.00 0.00 N ATOM 90 CA TRP A 43 14.372 -8.392 -13.837 1.00 0.00 C ATOM 91 C TRP A 43 13.787 -8.709 -15.209 1.00 0.00 C ATOM 92 O TRP A 43 12.599 -9.010 -15.324 1.00 0.00 O ATOM 93 CB TRP A 43 15.150 -9.593 -13.290 1.00 0.00 C ATOM 94 CG TRP A 43 16.205 -9.238 -12.293 1.00 0.00 C ATOM 95 CD1 TRP A 43 16.043 -9.170 -10.961 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.597 -8.885 -12.530 1.00 0.00 C ATOM 97 NE1 TRP A 43 17.212 -8.800 -10.341 1.00 0.00 N ATOM 98 CE2 TRP A 43 18.217 -8.606 -11.271 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.406 -8.770 -13.680 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.558 -8.231 -11.165 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.758 -8.387 -13.580 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.331 -8.113 -12.327 1.00 0.00 C ATOM 0 HA TRP A 43 15.053 -7.547 -13.939 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.448 -10.286 -12.827 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.616 -10.120 -14.123 1.00 0.00 H new ATOM 0 HD1 TRP A 43 15.117 -9.378 -10.446 1.00 0.00 H new ATOM 0 HE1 TRP A 43 17.323 -8.684 -9.334 1.00 0.00 H new ATOM 0 HE3 TRP A 43 17.983 -8.979 -14.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.995 -8.034 -10.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.359 -8.303 -14.474 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.366 -7.812 -12.260 1.00 0.00 H new ATOM 113 N THR A 44 14.630 -8.639 -16.247 1.00 0.00 N ATOM 114 CA THR A 44 14.217 -8.923 -17.615 1.00 0.00 C ATOM 115 C THR A 44 15.296 -9.753 -18.301 1.00 0.00 C ATOM 116 O THR A 44 16.442 -9.784 -17.849 1.00 0.00 O ATOM 117 CB THR A 44 13.988 -7.610 -18.378 1.00 0.00 C ATOM 118 OG1 THR A 44 15.192 -6.874 -18.427 1.00 0.00 O ATOM 119 CG2 THR A 44 12.907 -6.776 -17.683 1.00 0.00 C ATOM 0 H THR A 44 15.613 -8.384 -16.156 1.00 0.00 H new ATOM 0 HA THR A 44 13.282 -9.484 -17.606 1.00 0.00 H new ATOM 0 HB THR A 44 13.660 -7.843 -19.391 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.044 -6.037 -18.916 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.754 -5.848 -18.233 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.974 -7.340 -17.655 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.223 -6.547 -16.665 1.00 0.00 H new ATOM 127 N ARG A 45 14.929 -10.425 -19.398 1.00 0.00 N ATOM 128 CA ARG A 45 15.868 -11.249 -20.141 1.00 0.00 C ATOM 129 C ARG A 45 16.993 -10.379 -20.704 1.00 0.00 C ATOM 130 O ARG A 45 18.122 -10.841 -20.844 1.00 0.00 O ATOM 131 CB ARG A 45 15.132 -11.992 -21.260 1.00 0.00 C ATOM 132 CG ARG A 45 15.886 -13.281 -21.605 1.00 0.00 C ATOM 133 CD ARG A 45 15.500 -14.392 -20.618 1.00 0.00 C ATOM 134 NE ARG A 45 16.382 -15.558 -20.769 1.00 0.00 N ATOM 135 CZ ARG A 45 17.600 -15.653 -20.196 1.00 0.00 C ATOM 136 NH1 ARG A 45 18.036 -14.707 -19.350 1.00 0.00 N ATOM 137 NH2 ARG A 45 18.382 -16.704 -20.473 1.00 0.00 N ATOM 0 H ARG A 45 13.985 -10.409 -19.785 1.00 0.00 H new ATOM 0 HA ARG A 45 16.312 -11.988 -19.474 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.115 -12.227 -20.946 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.055 -11.357 -22.142 1.00 0.00 H new ATOM 0 HG2 ARG A 45 15.650 -13.589 -22.624 1.00 0.00 H new ATOM 0 HG3 ARG A 45 16.961 -13.105 -21.566 1.00 0.00 H new ATOM 0 HD2 ARG A 45 15.561 -14.014 -19.597 1.00 0.00 H new ATOM 0 HD3 ARG A 45 14.465 -14.690 -20.786 1.00 0.00 H new ATOM 0 HE ARG A 45 16.055 -16.339 -21.338 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.445 -13.905 -19.134 1.00 0.00 H new ATOM 0 HH12 ARG A 45 18.959 -14.790 -18.923 1.00 0.00 H new ATOM 0 HH21 ARG A 45 18.056 -17.427 -21.114 1.00 0.00 H new ATOM 0 HH22 ARG A 45 19.304 -16.781 -20.043 1.00 0.00 H new ATOM 151 N GLU A 46 16.686 -9.114 -21.018 1.00 0.00 N ATOM 152 CA GLU A 46 17.686 -8.192 -21.519 1.00 0.00 C ATOM 153 C GLU A 46 18.695 -7.904 -20.411 1.00 0.00 C ATOM 154 O GLU A 46 19.901 -7.998 -20.628 1.00 0.00 O ATOM 155 CB GLU A 46 17.010 -6.901 -21.992 1.00 0.00 C ATOM 156 CG GLU A 46 18.073 -5.934 -22.530 1.00 0.00 C ATOM 157 CD GLU A 46 17.448 -4.648 -23.059 1.00 0.00 C ATOM 158 OE1 GLU A 46 16.206 -4.627 -23.195 1.00 0.00 O ATOM 159 OE2 GLU A 46 18.232 -3.708 -23.319 1.00 0.00 O ATOM 0 H GLU A 46 15.751 -8.716 -20.930 1.00 0.00 H new ATOM 0 HA GLU A 46 18.209 -8.632 -22.368 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.279 -7.124 -22.770 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.467 -6.439 -21.167 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.782 -5.695 -21.738 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.637 -6.419 -23.327 1.00 0.00 H new ATOM 166 N GLU A 47 18.196 -7.554 -19.217 1.00 0.00 N ATOM 167 CA GLU A 47 19.054 -7.247 -18.085 1.00 0.00 C ATOM 168 C GLU A 47 19.953 -8.442 -17.766 1.00 0.00 C ATOM 169 O GLU A 47 21.103 -8.258 -17.386 1.00 0.00 O ATOM 170 CB GLU A 47 18.201 -6.874 -16.873 1.00 0.00 C ATOM 171 CG GLU A 47 19.045 -6.097 -15.862 1.00 0.00 C ATOM 172 CD GLU A 47 19.177 -4.635 -16.273 1.00 0.00 C ATOM 173 OE1 GLU A 47 18.281 -3.855 -15.878 1.00 0.00 O ATOM 174 OE2 GLU A 47 20.166 -4.325 -16.969 1.00 0.00 O ATOM 0 H GLU A 47 17.198 -7.479 -19.019 1.00 0.00 H new ATOM 0 HA GLU A 47 19.690 -6.398 -18.337 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.349 -6.271 -17.188 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.800 -7.775 -16.409 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.588 -6.161 -14.875 1.00 0.00 H new ATOM 0 HG3 GLU A 47 20.034 -6.548 -15.785 1.00 0.00 H new ATOM 181 N ASP A 48 19.433 -9.669 -17.924 1.00 0.00 N ATOM 182 CA ASP A 48 20.224 -10.868 -17.671 1.00 0.00 C ATOM 183 C ASP A 48 21.483 -10.845 -18.537 1.00 0.00 C ATOM 184 O ASP A 48 22.546 -11.255 -18.083 1.00 0.00 O ATOM 185 CB ASP A 48 19.400 -12.127 -17.966 1.00 0.00 C ATOM 186 CG ASP A 48 18.248 -12.296 -16.982 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.399 -11.840 -15.827 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.229 -12.888 -17.400 1.00 0.00 O ATOM 0 H ASP A 48 18.475 -9.849 -18.224 1.00 0.00 H new ATOM 0 HA ASP A 48 20.512 -10.886 -16.620 1.00 0.00 H new ATOM 0 HB2 ASP A 48 19.006 -12.073 -18.981 1.00 0.00 H new ATOM 0 HB3 ASP A 48 20.047 -13.003 -17.921 1.00 0.00 H new ATOM 193 N GLU A 49 21.365 -10.362 -19.785 1.00 0.00 N ATOM 194 CA GLU A 49 22.508 -10.284 -20.685 1.00 0.00 C ATOM 195 C GLU A 49 23.487 -9.217 -20.184 1.00 0.00 C ATOM 196 O GLU A 49 24.700 -9.414 -20.236 1.00 0.00 O ATOM 197 CB GLU A 49 22.034 -9.975 -22.111 1.00 0.00 C ATOM 198 CG GLU A 49 23.220 -10.039 -23.087 1.00 0.00 C ATOM 199 CD GLU A 49 23.934 -11.388 -23.010 1.00 0.00 C ATOM 200 OE1 GLU A 49 23.262 -12.403 -23.285 1.00 0.00 O ATOM 201 OE2 GLU A 49 25.142 -11.377 -22.674 1.00 0.00 O ATOM 0 H GLU A 49 20.490 -10.023 -20.184 1.00 0.00 H new ATOM 0 HA GLU A 49 23.025 -11.244 -20.702 1.00 0.00 H new ATOM 0 HB2 GLU A 49 21.267 -10.690 -22.411 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.578 -8.985 -22.145 1.00 0.00 H new ATOM 0 HG2 GLU A 49 22.866 -9.871 -24.104 1.00 0.00 H new ATOM 0 HG3 GLU A 49 23.925 -9.239 -22.859 1.00 0.00 H new ATOM 208 N LYS A 50 22.966 -8.087 -19.688 1.00 0.00 N ATOM 209 CA LYS A 50 23.817 -7.035 -19.147 1.00 0.00 C ATOM 210 C LYS A 50 24.599 -7.602 -17.961 1.00 0.00 C ATOM 211 O LYS A 50 25.810 -7.406 -17.863 1.00 0.00 O ATOM 212 CB LYS A 50 22.971 -5.827 -18.711 1.00 0.00 C ATOM 213 CG LYS A 50 22.780 -4.850 -19.882 1.00 0.00 C ATOM 214 CD LYS A 50 21.806 -5.438 -20.908 1.00 0.00 C ATOM 215 CE LYS A 50 21.398 -4.364 -21.924 1.00 0.00 C ATOM 216 NZ LYS A 50 22.563 -3.856 -22.669 1.00 0.00 N ATOM 0 H LYS A 50 21.967 -7.885 -19.653 1.00 0.00 H new ATOM 0 HA LYS A 50 24.512 -6.692 -19.914 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.000 -6.167 -18.352 1.00 0.00 H new ATOM 0 HB3 LYS A 50 23.457 -5.316 -17.880 1.00 0.00 H new ATOM 0 HG2 LYS A 50 22.399 -3.898 -19.512 1.00 0.00 H new ATOM 0 HG3 LYS A 50 23.740 -4.647 -20.356 1.00 0.00 H new ATOM 0 HD2 LYS A 50 22.272 -6.278 -21.423 1.00 0.00 H new ATOM 0 HD3 LYS A 50 20.922 -5.825 -20.401 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.671 -4.779 -22.622 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.908 -3.539 -21.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 22.238 -3.261 -23.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 23.162 -3.291 -22.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 23.112 -4.656 -23.042 1.00 0.00 H new ATOM 230 N LEU A 51 23.901 -8.314 -17.064 1.00 0.00 N ATOM 231 CA LEU A 51 24.526 -8.925 -15.903 1.00 0.00 C ATOM 232 C LEU A 51 25.548 -9.963 -16.362 1.00 0.00 C ATOM 233 O LEU A 51 26.635 -10.041 -15.805 1.00 0.00 O ATOM 234 CB LEU A 51 23.447 -9.567 -15.016 1.00 0.00 C ATOM 235 CG LEU A 51 24.072 -10.117 -13.719 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.616 -8.967 -12.865 1.00 0.00 C ATOM 237 CD2 LEU A 51 23.007 -10.872 -12.920 1.00 0.00 C ATOM 0 H LEU A 51 22.896 -8.476 -17.130 1.00 0.00 H new ATOM 0 HA LEU A 51 25.045 -8.166 -15.317 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.681 -8.830 -14.774 1.00 0.00 H new ATOM 0 HB3 LEU A 51 22.953 -10.373 -15.559 1.00 0.00 H new ATOM 0 HG LEU A 51 24.889 -10.790 -13.979 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.055 -9.368 -11.952 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.378 -8.426 -13.426 1.00 0.00 H new ATOM 0 HD13 LEU A 51 23.803 -8.288 -12.609 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.448 -11.261 -12.003 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.191 -10.194 -12.671 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.623 -11.699 -13.517 1.00 0.00 H new ATOM 249 N LYS A 52 25.198 -10.755 -17.386 1.00 0.00 N ATOM 250 CA LYS A 52 26.097 -11.765 -17.927 1.00 0.00 C ATOM 251 C LYS A 52 27.418 -11.119 -18.318 1.00 0.00 C ATOM 252 O LYS A 52 28.471 -11.555 -17.874 1.00 0.00 O ATOM 253 CB LYS A 52 25.456 -12.431 -19.153 1.00 0.00 C ATOM 254 CG LYS A 52 24.546 -13.585 -18.721 1.00 0.00 C ATOM 255 CD LYS A 52 25.357 -14.883 -18.668 1.00 0.00 C ATOM 256 CE LYS A 52 25.484 -15.474 -20.078 1.00 0.00 C ATOM 257 NZ LYS A 52 26.700 -16.296 -20.199 1.00 0.00 N ATOM 0 H LYS A 52 24.292 -10.709 -17.853 1.00 0.00 H new ATOM 0 HA LYS A 52 26.282 -12.525 -17.168 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.879 -11.696 -19.714 1.00 0.00 H new ATOM 0 HB3 LYS A 52 26.233 -12.803 -19.820 1.00 0.00 H new ATOM 0 HG2 LYS A 52 24.113 -13.374 -17.743 1.00 0.00 H new ATOM 0 HG3 LYS A 52 23.717 -13.690 -19.421 1.00 0.00 H new ATOM 0 HD2 LYS A 52 26.347 -14.688 -18.255 1.00 0.00 H new ATOM 0 HD3 LYS A 52 24.871 -15.600 -18.006 1.00 0.00 H new ATOM 0 HE2 LYS A 52 24.607 -16.081 -20.302 1.00 0.00 H new ATOM 0 HE3 LYS A 52 25.511 -14.669 -20.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 26.654 -16.857 -21.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 27.536 -15.678 -20.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 26.770 -16.935 -19.381 1.00 0.00 H new ATOM 271 N LYS A 53 27.358 -10.079 -19.153 1.00 0.00 N ATOM 272 CA LYS A 53 28.554 -9.399 -19.622 1.00 0.00 C ATOM 273 C LYS A 53 29.328 -8.799 -18.447 1.00 0.00 C ATOM 274 O LYS A 53 30.547 -8.933 -18.383 1.00 0.00 O ATOM 275 CB LYS A 53 28.164 -8.314 -20.636 1.00 0.00 C ATOM 276 CG LYS A 53 27.581 -8.962 -21.901 1.00 0.00 C ATOM 277 CD LYS A 53 28.713 -9.531 -22.773 1.00 0.00 C ATOM 278 CE LYS A 53 28.188 -10.687 -23.633 1.00 0.00 C ATOM 279 NZ LYS A 53 27.779 -11.835 -22.800 1.00 0.00 N ATOM 0 H LYS A 53 26.487 -9.693 -19.516 1.00 0.00 H new ATOM 0 HA LYS A 53 29.206 -10.120 -20.114 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.433 -7.638 -20.194 1.00 0.00 H new ATOM 0 HB3 LYS A 53 29.037 -7.715 -20.894 1.00 0.00 H new ATOM 0 HG2 LYS A 53 26.889 -9.758 -21.625 1.00 0.00 H new ATOM 0 HG3 LYS A 53 27.011 -8.225 -22.467 1.00 0.00 H new ATOM 0 HD2 LYS A 53 29.118 -8.747 -23.413 1.00 0.00 H new ATOM 0 HD3 LYS A 53 29.529 -9.880 -22.140 1.00 0.00 H new ATOM 0 HE2 LYS A 53 27.340 -10.345 -24.226 1.00 0.00 H new ATOM 0 HE3 LYS A 53 28.961 -11.001 -24.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 27.852 -12.711 -23.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 28.401 -11.900 -21.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 26.796 -11.704 -22.488 1.00 0.00 H new ATOM 293 N LEU A 54 28.628 -8.140 -17.518 1.00 0.00 N ATOM 294 CA LEU A 54 29.275 -7.529 -16.363 1.00 0.00 C ATOM 295 C LEU A 54 30.026 -8.590 -15.554 1.00 0.00 C ATOM 296 O LEU A 54 31.170 -8.370 -15.166 1.00 0.00 O ATOM 297 CB LEU A 54 28.225 -6.827 -15.492 1.00 0.00 C ATOM 298 CG LEU A 54 27.790 -5.503 -16.141 1.00 0.00 C ATOM 299 CD1 LEU A 54 26.467 -5.044 -15.524 1.00 0.00 C ATOM 300 CD2 LEU A 54 28.856 -4.427 -15.902 1.00 0.00 C ATOM 0 H LEU A 54 27.616 -8.019 -17.547 1.00 0.00 H new ATOM 0 HA LEU A 54 29.997 -6.788 -16.707 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.360 -7.476 -15.360 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.635 -6.636 -14.500 1.00 0.00 H new ATOM 0 HG LEU A 54 27.666 -5.656 -17.213 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.158 -4.105 -15.983 1.00 0.00 H new ATOM 0 HD12 LEU A 54 25.703 -5.802 -15.697 1.00 0.00 H new ATOM 0 HD13 LEU A 54 26.597 -4.898 -14.452 1.00 0.00 H new ATOM 0 HD21 LEU A 54 28.540 -3.492 -16.365 1.00 0.00 H new ATOM 0 HD22 LEU A 54 28.986 -4.275 -14.830 1.00 0.00 H new ATOM 0 HD23 LEU A 54 29.801 -4.747 -16.340 1.00 0.00 H new ATOM 312 N VAL A 55 29.384 -9.735 -15.300 1.00 0.00 N ATOM 313 CA VAL A 55 29.996 -10.815 -14.535 1.00 0.00 C ATOM 314 C VAL A 55 31.162 -11.417 -15.320 1.00 0.00 C ATOM 315 O VAL A 55 32.210 -11.691 -14.752 1.00 0.00 O ATOM 316 CB VAL A 55 28.932 -11.882 -14.219 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.602 -13.148 -13.672 1.00 0.00 C ATOM 318 CG2 VAL A 55 27.959 -11.340 -13.169 1.00 0.00 C ATOM 0 H VAL A 55 28.435 -9.934 -15.617 1.00 0.00 H new ATOM 0 HA VAL A 55 30.389 -10.425 -13.596 1.00 0.00 H new ATOM 0 HB VAL A 55 28.393 -12.124 -15.135 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.841 -13.896 -13.452 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.295 -13.543 -14.415 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.147 -12.906 -12.760 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.206 -12.096 -12.946 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.506 -11.093 -12.259 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.471 -10.444 -13.553 1.00 0.00 H new ATOM 328 N GLU A 56 30.976 -11.623 -16.625 1.00 0.00 N ATOM 329 CA GLU A 56 32.008 -12.199 -17.478 1.00 0.00 C ATOM 330 C GLU A 56 33.250 -11.300 -17.498 1.00 0.00 C ATOM 331 O GLU A 56 34.373 -11.798 -17.542 1.00 0.00 O ATOM 332 CB GLU A 56 31.441 -12.374 -18.895 1.00 0.00 C ATOM 333 CG GLU A 56 30.490 -13.582 -18.930 1.00 0.00 C ATOM 334 CD GLU A 56 29.525 -13.516 -20.118 1.00 0.00 C ATOM 335 OE1 GLU A 56 29.679 -12.586 -20.944 1.00 0.00 O ATOM 336 OE2 GLU A 56 28.644 -14.403 -20.179 1.00 0.00 O ATOM 0 H GLU A 56 30.110 -11.396 -17.114 1.00 0.00 H new ATOM 0 HA GLU A 56 32.307 -13.171 -17.086 1.00 0.00 H new ATOM 0 HB2 GLU A 56 30.909 -11.472 -19.198 1.00 0.00 H new ATOM 0 HB3 GLU A 56 32.254 -12.519 -19.607 1.00 0.00 H new ATOM 0 HG2 GLU A 56 31.073 -14.501 -18.987 1.00 0.00 H new ATOM 0 HG3 GLU A 56 29.920 -13.622 -18.002 1.00 0.00 H new ATOM 343 N GLN A 57 33.045 -9.977 -17.471 1.00 0.00 N ATOM 344 CA GLN A 57 34.140 -9.017 -17.520 1.00 0.00 C ATOM 345 C GLN A 57 34.763 -8.818 -16.134 1.00 0.00 C ATOM 346 O GLN A 57 35.938 -9.118 -15.935 1.00 0.00 O ATOM 347 CB GLN A 57 33.609 -7.684 -18.064 1.00 0.00 C ATOM 348 CG GLN A 57 33.328 -7.803 -19.568 1.00 0.00 C ATOM 349 CD GLN A 57 34.622 -7.951 -20.363 1.00 0.00 C ATOM 350 OE1 GLN A 57 34.859 -8.985 -20.981 1.00 0.00 O ATOM 351 NE2 GLN A 57 35.459 -6.914 -20.347 1.00 0.00 N ATOM 0 H GLN A 57 32.120 -9.551 -17.415 1.00 0.00 H new ATOM 0 HA GLN A 57 34.920 -9.400 -18.178 1.00 0.00 H new ATOM 0 HB2 GLN A 57 32.697 -7.405 -17.537 1.00 0.00 H new ATOM 0 HB3 GLN A 57 34.337 -6.893 -17.884 1.00 0.00 H new ATOM 0 HG2 GLN A 57 32.684 -8.663 -19.753 1.00 0.00 H new ATOM 0 HG3 GLN A 57 32.787 -6.921 -19.910 1.00 0.00 H new ATOM 0 HE21 GLN A 57 35.221 -6.074 -19.819 1.00 0.00 H new ATOM 0 HE22 GLN A 57 36.338 -6.960 -20.862 1.00 0.00 H new ATOM 360 N ASN A 58 33.979 -8.294 -15.183 1.00 0.00 N ATOM 361 CA ASN A 58 34.475 -7.990 -13.841 1.00 0.00 C ATOM 362 C ASN A 58 34.827 -9.266 -13.078 1.00 0.00 C ATOM 363 O ASN A 58 35.812 -9.290 -12.343 1.00 0.00 O ATOM 364 CB ASN A 58 33.418 -7.189 -13.071 1.00 0.00 C ATOM 365 CG ASN A 58 33.170 -5.833 -13.725 1.00 0.00 C ATOM 366 OD1 ASN A 58 33.897 -4.878 -13.470 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.142 -5.750 -14.567 1.00 0.00 N ATOM 0 H ASN A 58 32.993 -8.072 -15.323 1.00 0.00 H new ATOM 0 HA ASN A 58 35.384 -7.397 -13.937 1.00 0.00 H new ATOM 0 HB2 ASN A 58 32.486 -7.753 -13.033 1.00 0.00 H new ATOM 0 HB3 ASN A 58 33.746 -7.045 -12.041 1.00 0.00 H new ATOM 0 HD21 ASN A 58 31.932 -4.866 -15.030 1.00 0.00 H new ATOM 0 HD22 ASN A 58 31.564 -6.571 -14.749 1.00 0.00 H new ATOM 374 N GLY A 59 34.018 -10.318 -13.239 1.00 0.00 N ATOM 375 CA GLY A 59 34.229 -11.573 -12.533 1.00 0.00 C ATOM 376 C GLY A 59 33.403 -11.586 -11.248 1.00 0.00 C ATOM 377 O GLY A 59 32.769 -10.587 -10.901 1.00 0.00 O ATOM 0 H GLY A 59 33.207 -10.318 -13.858 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.944 -12.411 -13.169 1.00 0.00 H new ATOM 0 HA3 GLY A 59 35.286 -11.696 -12.298 1.00 0.00 H new ATOM 381 N THR A 60 33.413 -12.720 -10.539 1.00 0.00 N ATOM 382 CA THR A 60 32.679 -12.860 -9.291 1.00 0.00 C ATOM 383 C THR A 60 33.479 -12.208 -8.161 1.00 0.00 C ATOM 384 O THR A 60 34.004 -12.894 -7.284 1.00 0.00 O ATOM 385 CB THR A 60 32.434 -14.350 -9.017 1.00 0.00 C ATOM 386 OG1 THR A 60 33.614 -15.082 -9.283 1.00 0.00 O ATOM 387 CG2 THR A 60 31.310 -14.861 -9.921 1.00 0.00 C ATOM 0 H THR A 60 33.927 -13.556 -10.817 1.00 0.00 H new ATOM 0 HA THR A 60 31.713 -12.360 -9.357 1.00 0.00 H new ATOM 0 HB THR A 60 32.151 -14.480 -7.973 1.00 0.00 H new ATOM 0 HG1 THR A 60 34.355 -14.710 -8.760 1.00 0.00 H new ATOM 0 HG21 THR A 60 31.138 -15.919 -9.725 1.00 0.00 H new ATOM 0 HG22 THR A 60 30.397 -14.301 -9.718 1.00 0.00 H new ATOM 0 HG23 THR A 60 31.593 -14.727 -10.965 1.00 0.00 H new ATOM 395 N ASP A 61 33.570 -10.873 -8.197 1.00 0.00 N ATOM 396 CA ASP A 61 34.312 -10.110 -7.212 1.00 0.00 C ATOM 397 C ASP A 61 33.406 -9.801 -6.010 1.00 0.00 C ATOM 398 O ASP A 61 32.636 -10.659 -5.578 1.00 0.00 O ATOM 399 CB ASP A 61 34.834 -8.833 -7.891 1.00 0.00 C ATOM 400 CG ASP A 61 35.972 -8.204 -7.096 1.00 0.00 C ATOM 401 OD1 ASP A 61 37.079 -8.780 -7.135 1.00 0.00 O ATOM 402 OD2 ASP A 61 35.707 -7.159 -6.465 1.00 0.00 O ATOM 0 H ASP A 61 33.127 -10.300 -8.915 1.00 0.00 H new ATOM 0 HA ASP A 61 35.164 -10.675 -6.833 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.179 -9.070 -8.897 1.00 0.00 H new ATOM 0 HB3 ASP A 61 34.020 -8.115 -7.994 1.00 0.00 H new ATOM 407 N ASP A 62 33.499 -8.578 -5.475 1.00 0.00 N ATOM 408 CA ASP A 62 32.708 -8.164 -4.319 1.00 0.00 C ATOM 409 C ASP A 62 31.274 -7.821 -4.730 1.00 0.00 C ATOM 410 O ASP A 62 30.459 -7.499 -3.871 1.00 0.00 O ATOM 411 CB ASP A 62 33.376 -6.943 -3.665 1.00 0.00 C ATOM 412 CG ASP A 62 33.761 -7.233 -2.218 1.00 0.00 C ATOM 413 OD1 ASP A 62 34.519 -8.205 -2.014 1.00 0.00 O ATOM 414 OD2 ASP A 62 33.289 -6.474 -1.344 1.00 0.00 O ATOM 0 H ASP A 62 34.122 -7.854 -5.832 1.00 0.00 H new ATOM 0 HA ASP A 62 32.664 -8.988 -3.607 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.265 -6.665 -4.232 1.00 0.00 H new ATOM 0 HB3 ASP A 62 32.696 -6.092 -3.699 1.00 0.00 H new ATOM 419 N TRP A 63 30.978 -7.877 -6.044 1.00 0.00 N ATOM 420 CA TRP A 63 29.654 -7.557 -6.595 1.00 0.00 C ATOM 421 C TRP A 63 29.327 -6.061 -6.447 1.00 0.00 C ATOM 422 O TRP A 63 28.384 -5.581 -7.071 1.00 0.00 O ATOM 423 CB TRP A 63 28.566 -8.436 -5.957 1.00 0.00 C ATOM 424 CG TRP A 63 28.616 -9.867 -6.379 1.00 0.00 C ATOM 425 CD1 TRP A 63 29.202 -10.869 -5.702 1.00 0.00 C ATOM 426 CD2 TRP A 63 28.073 -10.478 -7.584 1.00 0.00 C ATOM 427 NE1 TRP A 63 29.074 -12.059 -6.378 1.00 0.00 N ATOM 428 CE2 TRP A 63 28.379 -11.876 -7.561 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.354 -9.998 -8.703 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.993 -12.743 -8.587 1.00 0.00 C ATOM 431 CZ3 TRP A 63 26.965 -10.867 -9.739 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.285 -12.236 -9.683 1.00 0.00 C ATOM 0 H TRP A 63 31.658 -8.148 -6.754 1.00 0.00 H new ATOM 0 HA TRP A 63 29.677 -7.777 -7.662 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.661 -8.384 -4.872 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.588 -8.027 -6.211 1.00 0.00 H new ATOM 0 HD1 TRP A 63 29.706 -10.755 -4.754 1.00 0.00 H new ATOM 0 HE1 TRP A 63 29.441 -12.954 -6.053 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.100 -8.950 -8.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 28.238 -13.793 -8.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.416 -10.480 -10.585 1.00 0.00 H new ATOM 0 HH2 TRP A 63 26.985 -12.895 -10.484 1.00 0.00 H new ATOM 443 N LYS A 64 30.104 -5.321 -5.643 1.00 0.00 N ATOM 444 CA LYS A 64 29.903 -3.893 -5.479 1.00 0.00 C ATOM 445 C LYS A 64 30.121 -3.201 -6.823 1.00 0.00 C ATOM 446 O LYS A 64 29.370 -2.303 -7.192 1.00 0.00 O ATOM 447 CB LYS A 64 30.881 -3.369 -4.422 1.00 0.00 C ATOM 448 CG LYS A 64 30.664 -1.868 -4.204 1.00 0.00 C ATOM 449 CD LYS A 64 31.558 -1.385 -3.059 1.00 0.00 C ATOM 450 CE LYS A 64 31.403 0.129 -2.888 1.00 0.00 C ATOM 451 NZ LYS A 64 32.250 0.627 -1.789 1.00 0.00 N ATOM 0 H LYS A 64 30.879 -5.700 -5.098 1.00 0.00 H new ATOM 0 HA LYS A 64 28.887 -3.684 -5.144 1.00 0.00 H new ATOM 0 HB2 LYS A 64 30.737 -3.905 -3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.907 -3.554 -4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 64 30.896 -1.320 -5.117 1.00 0.00 H new ATOM 0 HG3 LYS A 64 29.618 -1.671 -3.971 1.00 0.00 H new ATOM 0 HD2 LYS A 64 31.288 -1.895 -2.134 1.00 0.00 H new ATOM 0 HD3 LYS A 64 32.599 -1.633 -3.268 1.00 0.00 H new ATOM 0 HE2 LYS A 64 31.673 0.633 -3.816 1.00 0.00 H new ATOM 0 HE3 LYS A 64 30.360 0.371 -2.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 32.126 1.655 -1.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 31.975 0.162 -0.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 33.247 0.416 -1.996 1.00 0.00 H new ATOM 465 N VAL A 65 31.155 -3.633 -7.556 1.00 0.00 N ATOM 466 CA VAL A 65 31.468 -3.076 -8.863 1.00 0.00 C ATOM 467 C VAL A 65 30.261 -3.239 -9.792 1.00 0.00 C ATOM 468 O VAL A 65 29.823 -2.279 -10.422 1.00 0.00 O ATOM 469 CB VAL A 65 32.702 -3.791 -9.438 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.053 -3.196 -10.804 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.893 -3.619 -8.490 1.00 0.00 C ATOM 0 H VAL A 65 31.789 -4.373 -7.256 1.00 0.00 H new ATOM 0 HA VAL A 65 31.691 -2.013 -8.772 1.00 0.00 H new ATOM 0 HB VAL A 65 32.478 -4.852 -9.548 1.00 0.00 H new ATOM 0 HG11 VAL A 65 33.928 -3.705 -11.209 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.211 -3.325 -11.484 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.270 -2.134 -10.693 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.764 -4.128 -8.904 1.00 0.00 H new ATOM 0 HG22 VAL A 65 34.115 -2.558 -8.373 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.649 -4.048 -7.518 1.00 0.00 H new ATOM 481 N ILE A 66 29.728 -4.463 -9.869 1.00 0.00 N ATOM 482 CA ILE A 66 28.579 -4.763 -10.713 1.00 0.00 C ATOM 483 C ILE A 66 27.375 -3.930 -10.261 1.00 0.00 C ATOM 484 O ILE A 66 26.635 -3.400 -11.092 1.00 0.00 O ATOM 485 CB ILE A 66 28.281 -6.272 -10.638 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.457 -7.050 -11.257 1.00 0.00 C ATOM 487 CG2 ILE A 66 26.989 -6.585 -11.404 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.370 -8.534 -10.902 1.00 0.00 C ATOM 0 H ILE A 66 30.082 -5.266 -9.349 1.00 0.00 H new ATOM 0 HA ILE A 66 28.793 -4.504 -11.750 1.00 0.00 H new ATOM 0 HB ILE A 66 28.155 -6.569 -9.597 1.00 0.00 H new ATOM 0 HG12 ILE A 66 29.449 -6.929 -12.340 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.401 -6.640 -10.897 1.00 0.00 H new ATOM 0 HG21 ILE A 66 26.783 -7.654 -11.348 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.161 -6.032 -10.962 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.105 -6.292 -12.448 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.210 -9.065 -11.349 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.402 -8.651 -9.819 1.00 0.00 H new ATOM 0 HD13 ILE A 66 28.436 -8.945 -11.284 1.00 0.00 H new ATOM 500 N ALA A 67 27.185 -3.815 -8.943 1.00 0.00 N ATOM 501 CA ALA A 67 26.079 -3.056 -8.380 1.00 0.00 C ATOM 502 C ALA A 67 26.182 -1.580 -8.770 1.00 0.00 C ATOM 503 O ALA A 67 25.167 -0.930 -8.991 1.00 0.00 O ATOM 504 CB ALA A 67 26.085 -3.212 -6.860 1.00 0.00 C ATOM 0 H ALA A 67 27.793 -4.245 -8.246 1.00 0.00 H new ATOM 0 HA ALA A 67 25.140 -3.441 -8.778 1.00 0.00 H new ATOM 0 HB1 ALA A 67 25.258 -2.645 -6.433 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.975 -4.265 -6.602 1.00 0.00 H new ATOM 0 HB3 ALA A 67 27.027 -2.837 -6.459 1.00 0.00 H new ATOM 510 N ASN A 68 27.408 -1.050 -8.853 1.00 0.00 N ATOM 511 CA ASN A 68 27.618 0.348 -9.215 1.00 0.00 C ATOM 512 C ASN A 68 27.215 0.591 -10.673 1.00 0.00 C ATOM 513 O ASN A 68 26.834 1.705 -11.026 1.00 0.00 O ATOM 514 CB ASN A 68 29.086 0.733 -8.986 1.00 0.00 C ATOM 515 CG ASN A 68 29.293 1.284 -7.578 1.00 0.00 C ATOM 516 OD1 ASN A 68 29.576 2.466 -7.408 1.00 0.00 O ATOM 517 ND2 ASN A 68 29.150 0.428 -6.568 1.00 0.00 N ATOM 0 H ASN A 68 28.266 -1.571 -8.674 1.00 0.00 H new ATOM 0 HA ASN A 68 26.990 0.975 -8.582 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.722 -0.139 -9.136 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.389 1.479 -9.721 1.00 0.00 H new ATOM 0 HD21 ASN A 68 29.276 0.747 -5.607 1.00 0.00 H new ATOM 0 HD22 ASN A 68 28.914 -0.547 -6.755 1.00 0.00 H new ATOM 524 N TYR A 69 27.298 -0.446 -11.521 1.00 0.00 N ATOM 525 CA TYR A 69 26.939 -0.314 -12.928 1.00 0.00 C ATOM 526 C TYR A 69 25.419 -0.372 -13.093 1.00 0.00 C ATOM 527 O TYR A 69 24.838 0.497 -13.738 1.00 0.00 O ATOM 528 CB TYR A 69 27.613 -1.425 -13.747 1.00 0.00 C ATOM 529 CG TYR A 69 29.063 -1.136 -14.088 1.00 0.00 C ATOM 530 CD1 TYR A 69 29.386 -0.032 -14.899 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.086 -1.975 -13.608 1.00 0.00 C ATOM 532 CE1 TYR A 69 30.727 0.234 -15.224 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.426 -1.708 -13.936 1.00 0.00 C ATOM 534 CZ TYR A 69 31.747 -0.604 -14.743 1.00 0.00 C ATOM 535 OH TYR A 69 33.048 -0.348 -15.060 1.00 0.00 O ATOM 0 H TYR A 69 27.610 -1.379 -11.251 1.00 0.00 H new ATOM 0 HA TYR A 69 27.288 0.651 -13.295 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.559 -2.360 -13.189 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.054 -1.573 -14.671 1.00 0.00 H new ATOM 0 HD1 TYR A 69 28.603 0.611 -15.272 1.00 0.00 H new ATOM 0 HD2 TYR A 69 29.841 -2.824 -12.987 1.00 0.00 H new ATOM 0 HE1 TYR A 69 30.974 1.083 -15.844 1.00 0.00 H new ATOM 0 HE2 TYR A 69 32.210 -2.352 -13.567 1.00 0.00 H new ATOM 0 HH TYR A 69 33.625 -1.023 -14.645 1.00 0.00 H new ATOM 545 N LEU A 70 24.777 -1.398 -12.518 1.00 0.00 N ATOM 546 CA LEU A 70 23.331 -1.570 -12.637 1.00 0.00 C ATOM 547 C LEU A 70 22.605 -0.644 -11.643 1.00 0.00 C ATOM 548 O LEU A 70 22.829 -0.744 -10.440 1.00 0.00 O ATOM 549 CB LEU A 70 22.977 -3.037 -12.369 1.00 0.00 C ATOM 550 CG LEU A 70 23.441 -3.916 -13.540 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.574 -5.363 -13.068 1.00 0.00 C ATOM 552 CD2 LEU A 70 22.419 -3.852 -14.680 1.00 0.00 C ATOM 0 H LEU A 70 25.241 -2.120 -11.966 1.00 0.00 H new ATOM 0 HA LEU A 70 23.010 -1.304 -13.644 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.450 -3.370 -11.445 1.00 0.00 H new ATOM 0 HB3 LEU A 70 21.901 -3.140 -12.231 1.00 0.00 H new ATOM 0 HG LEU A 70 24.404 -3.552 -13.898 1.00 0.00 H new ATOM 0 HD11 LEU A 70 23.903 -5.988 -13.898 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.305 -5.417 -12.261 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.609 -5.718 -12.707 1.00 0.00 H new ATOM 0 HD21 LEU A 70 22.756 -4.478 -15.506 1.00 0.00 H new ATOM 0 HD22 LEU A 70 21.453 -4.210 -14.323 1.00 0.00 H new ATOM 0 HD23 LEU A 70 22.320 -2.822 -15.022 1.00 0.00 H new ATOM 564 N PRO A 71 21.731 0.265 -12.135 1.00 0.00 N ATOM 565 CA PRO A 71 21.013 1.196 -11.284 1.00 0.00 C ATOM 566 C PRO A 71 20.002 0.468 -10.394 1.00 0.00 C ATOM 567 O PRO A 71 19.351 -0.477 -10.836 1.00 0.00 O ATOM 568 CB PRO A 71 20.303 2.164 -12.235 1.00 0.00 C ATOM 569 CG PRO A 71 20.431 1.572 -13.643 1.00 0.00 C ATOM 570 CD PRO A 71 21.427 0.417 -13.546 1.00 0.00 C ATOM 0 HA PRO A 71 21.691 1.719 -10.609 1.00 0.00 H new ATOM 0 HB2 PRO A 71 19.255 2.280 -11.958 1.00 0.00 H new ATOM 0 HB3 PRO A 71 20.756 3.154 -12.189 1.00 0.00 H new ATOM 0 HG2 PRO A 71 19.465 1.220 -14.004 1.00 0.00 H new ATOM 0 HG3 PRO A 71 20.780 2.325 -14.349 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.001 -0.500 -13.954 1.00 0.00 H new ATOM 0 HD3 PRO A 71 22.330 0.632 -14.118 1.00 0.00 H new ATOM 578 N ASN A 72 19.874 0.929 -9.137 1.00 0.00 N ATOM 579 CA ASN A 72 18.926 0.370 -8.169 1.00 0.00 C ATOM 580 C ASN A 72 19.109 -1.144 -8.026 1.00 0.00 C ATOM 581 O ASN A 72 18.139 -1.870 -7.800 1.00 0.00 O ATOM 582 CB ASN A 72 17.494 0.703 -8.605 1.00 0.00 C ATOM 583 CG ASN A 72 17.312 2.206 -8.785 1.00 0.00 C ATOM 584 OD1 ASN A 72 17.291 2.701 -9.908 1.00 0.00 O ATOM 585 ND2 ASN A 72 17.183 2.933 -7.674 1.00 0.00 N ATOM 0 H ASN A 72 20.428 1.701 -8.768 1.00 0.00 H new ATOM 0 HA ASN A 72 19.118 0.817 -7.193 1.00 0.00 H new ATOM 0 HB2 ASN A 72 17.267 0.191 -9.540 1.00 0.00 H new ATOM 0 HB3 ASN A 72 16.789 0.334 -7.860 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.061 3.944 -7.737 1.00 0.00 H new ATOM 0 HD22 ASN A 72 17.207 2.478 -6.761 1.00 0.00 H new ATOM 592 N ARG A 73 20.354 -1.612 -8.154 1.00 0.00 N ATOM 593 CA ARG A 73 20.677 -3.026 -8.045 1.00 0.00 C ATOM 594 C ARG A 73 21.872 -3.196 -7.124 1.00 0.00 C ATOM 595 O ARG A 73 23.012 -3.151 -7.571 1.00 0.00 O ATOM 596 CB ARG A 73 20.993 -3.573 -9.432 1.00 0.00 C ATOM 597 CG ARG A 73 19.715 -3.651 -10.272 1.00 0.00 C ATOM 598 CD ARG A 73 19.480 -5.096 -10.708 1.00 0.00 C ATOM 599 NE ARG A 73 18.133 -5.272 -11.262 1.00 0.00 N ATOM 600 CZ ARG A 73 17.786 -4.858 -12.490 1.00 0.00 C ATOM 601 NH1 ARG A 73 18.639 -4.132 -13.220 1.00 0.00 N ATOM 602 NH2 ARG A 73 16.584 -5.170 -12.987 1.00 0.00 N ATOM 0 H ARG A 73 21.162 -1.016 -8.336 1.00 0.00 H new ATOM 0 HA ARG A 73 19.831 -3.575 -7.631 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.723 -2.932 -9.926 1.00 0.00 H new ATOM 0 HB3 ARG A 73 21.442 -4.562 -9.347 1.00 0.00 H new ATOM 0 HG2 ARG A 73 18.864 -3.292 -9.693 1.00 0.00 H new ATOM 0 HG3 ARG A 73 19.802 -3.006 -11.146 1.00 0.00 H new ATOM 0 HD2 ARG A 73 20.222 -5.378 -11.454 1.00 0.00 H new ATOM 0 HD3 ARG A 73 19.615 -5.762 -9.856 1.00 0.00 H new ATOM 0 HE ARG A 73 17.427 -5.731 -10.686 1.00 0.00 H new ATOM 0 HH11 ARG A 73 19.556 -3.892 -12.844 1.00 0.00 H new ATOM 0 HH12 ARG A 73 18.373 -3.818 -14.153 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.931 -5.723 -12.432 1.00 0.00 H new ATOM 0 HH22 ARG A 73 16.321 -4.855 -13.921 1.00 0.00 H new ATOM 616 N THR A 74 21.606 -3.391 -5.834 1.00 0.00 N ATOM 617 CA THR A 74 22.660 -3.569 -4.849 1.00 0.00 C ATOM 618 C THR A 74 23.385 -4.900 -5.095 1.00 0.00 C ATOM 619 O THR A 74 22.927 -5.730 -5.889 1.00 0.00 O ATOM 620 CB THR A 74 22.059 -3.494 -3.435 1.00 0.00 C ATOM 621 OG1 THR A 74 23.099 -3.487 -2.483 1.00 0.00 O ATOM 622 CG2 THR A 74 21.142 -4.690 -3.176 1.00 0.00 C ATOM 0 H THR A 74 20.662 -3.429 -5.449 1.00 0.00 H new ATOM 0 HA THR A 74 23.398 -2.772 -4.942 1.00 0.00 H new ATOM 0 HB THR A 74 21.473 -2.579 -3.352 1.00 0.00 H new ATOM 0 HG1 THR A 74 22.717 -3.438 -1.582 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.727 -4.619 -2.171 1.00 0.00 H new ATOM 0 HG22 THR A 74 20.331 -4.691 -3.904 1.00 0.00 H new ATOM 0 HG23 THR A 74 21.714 -5.613 -3.268 1.00 0.00 H new ATOM 630 N ASP A 75 24.523 -5.092 -4.416 1.00 0.00 N ATOM 631 CA ASP A 75 25.338 -6.290 -4.574 1.00 0.00 C ATOM 632 C ASP A 75 24.519 -7.544 -4.275 1.00 0.00 C ATOM 633 O ASP A 75 24.641 -8.539 -4.983 1.00 0.00 O ATOM 634 CB ASP A 75 26.558 -6.201 -3.647 1.00 0.00 C ATOM 635 CG ASP A 75 26.141 -6.096 -2.184 1.00 0.00 C ATOM 636 OD1 ASP A 75 25.732 -4.983 -1.789 1.00 0.00 O ATOM 637 OD2 ASP A 75 26.237 -7.130 -1.491 1.00 0.00 O ATOM 0 H ASP A 75 24.898 -4.421 -3.746 1.00 0.00 H new ATOM 0 HA ASP A 75 25.680 -6.357 -5.607 1.00 0.00 H new ATOM 0 HB2 ASP A 75 27.186 -7.081 -3.785 1.00 0.00 H new ATOM 0 HB3 ASP A 75 27.160 -5.334 -3.918 1.00 0.00 H new ATOM 642 N VAL A 76 23.687 -7.496 -3.230 1.00 0.00 N ATOM 643 CA VAL A 76 22.867 -8.635 -2.844 1.00 0.00 C ATOM 644 C VAL A 76 21.933 -9.028 -3.990 1.00 0.00 C ATOM 645 O VAL A 76 21.823 -10.205 -4.313 1.00 0.00 O ATOM 646 CB VAL A 76 22.063 -8.290 -1.580 1.00 0.00 C ATOM 647 CG1 VAL A 76 21.175 -9.478 -1.191 1.00 0.00 C ATOM 648 CG2 VAL A 76 23.021 -7.980 -0.427 1.00 0.00 C ATOM 0 H VAL A 76 23.568 -6.674 -2.638 1.00 0.00 H new ATOM 0 HA VAL A 76 23.513 -9.485 -2.626 1.00 0.00 H new ATOM 0 HB VAL A 76 21.440 -7.419 -1.782 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.607 -9.229 -0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.487 -9.700 -2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.799 -10.350 -0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 76 22.447 -7.736 0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.647 -8.850 -0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.652 -7.133 -0.696 1.00 0.00 H new ATOM 658 N GLN A 77 21.257 -8.043 -4.597 1.00 0.00 N ATOM 659 CA GLN A 77 20.311 -8.304 -5.673 1.00 0.00 C ATOM 660 C GLN A 77 21.026 -8.923 -6.873 1.00 0.00 C ATOM 661 O GLN A 77 20.578 -9.940 -7.400 1.00 0.00 O ATOM 662 CB GLN A 77 19.611 -6.999 -6.070 1.00 0.00 C ATOM 663 CG GLN A 77 18.356 -7.320 -6.893 1.00 0.00 C ATOM 664 CD GLN A 77 17.769 -6.066 -7.537 1.00 0.00 C ATOM 665 OE1 GLN A 77 17.330 -6.107 -8.684 1.00 0.00 O ATOM 666 NE2 GLN A 77 17.759 -4.953 -6.801 1.00 0.00 N ATOM 0 H GLN A 77 21.353 -7.057 -4.355 1.00 0.00 H new ATOM 0 HA GLN A 77 19.560 -9.014 -5.326 1.00 0.00 H new ATOM 0 HB2 GLN A 77 19.339 -6.434 -5.178 1.00 0.00 H new ATOM 0 HB3 GLN A 77 20.289 -6.372 -6.650 1.00 0.00 H new ATOM 0 HG2 GLN A 77 18.604 -8.045 -7.668 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.608 -7.784 -6.250 1.00 0.00 H new ATOM 0 HE21 GLN A 77 18.134 -4.965 -5.853 1.00 0.00 H new ATOM 0 HE22 GLN A 77 17.376 -4.090 -7.187 1.00 0.00 H new ATOM 675 N CYS A 78 22.134 -8.308 -7.308 1.00 0.00 N ATOM 676 CA CYS A 78 22.890 -8.803 -8.453 1.00 0.00 C ATOM 677 C CYS A 78 23.386 -10.221 -8.176 1.00 0.00 C ATOM 678 O CYS A 78 23.238 -11.111 -9.015 1.00 0.00 O ATOM 679 CB CYS A 78 24.074 -7.874 -8.735 1.00 0.00 C ATOM 680 SG CYS A 78 23.461 -6.350 -9.489 1.00 0.00 S ATOM 0 H CYS A 78 22.522 -7.467 -6.880 1.00 0.00 H new ATOM 0 HA CYS A 78 22.241 -8.823 -9.329 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.605 -7.649 -7.810 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.786 -8.363 -9.400 1.00 0.00 H new ATOM 0 HG CYS A 78 24.420 -5.473 -9.536 1.00 0.00 H new ATOM 686 N GLN A 79 23.978 -10.424 -6.994 1.00 0.00 N ATOM 687 CA GLN A 79 24.508 -11.717 -6.599 1.00 0.00 C ATOM 688 C GLN A 79 23.402 -12.769 -6.625 1.00 0.00 C ATOM 689 O GLN A 79 23.588 -13.840 -7.193 1.00 0.00 O ATOM 690 CB GLN A 79 25.121 -11.603 -5.199 1.00 0.00 C ATOM 691 CG GLN A 79 25.806 -12.919 -4.819 1.00 0.00 C ATOM 692 CD GLN A 79 26.379 -12.852 -3.408 1.00 0.00 C ATOM 693 OE1 GLN A 79 26.077 -13.701 -2.574 1.00 0.00 O ATOM 694 NE2 GLN A 79 27.207 -11.842 -3.139 1.00 0.00 N ATOM 0 H GLN A 79 24.099 -9.694 -6.292 1.00 0.00 H new ATOM 0 HA GLN A 79 25.283 -12.027 -7.301 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.843 -10.787 -5.175 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.345 -11.364 -4.472 1.00 0.00 H new ATOM 0 HG2 GLN A 79 25.090 -13.738 -4.885 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.604 -13.135 -5.529 1.00 0.00 H new ATOM 0 HE21 GLN A 79 27.430 -11.159 -3.863 1.00 0.00 H new ATOM 0 HE22 GLN A 79 27.617 -11.752 -2.209 1.00 0.00 H new ATOM 703 N HIS A 80 22.253 -12.465 -6.008 1.00 0.00 N ATOM 704 CA HIS A 80 21.137 -13.397 -5.965 1.00 0.00 C ATOM 705 C HIS A 80 20.685 -13.734 -7.377 1.00 0.00 C ATOM 706 O HIS A 80 20.600 -14.903 -7.723 1.00 0.00 O ATOM 707 CB HIS A 80 19.978 -12.803 -5.152 1.00 0.00 C ATOM 708 CG HIS A 80 19.854 -13.413 -3.779 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.681 -13.345 -3.037 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.731 -14.117 -2.987 1.00 0.00 C ATOM 711 CE1 HIS A 80 18.914 -13.996 -1.879 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.148 -14.495 -1.787 1.00 0.00 N ATOM 0 H HIS A 80 22.079 -11.579 -5.534 1.00 0.00 H new ATOM 0 HA HIS A 80 21.462 -14.316 -5.476 1.00 0.00 H new ATOM 0 HB2 HIS A 80 20.123 -11.727 -5.055 1.00 0.00 H new ATOM 0 HB3 HIS A 80 19.045 -12.951 -5.696 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.749 -14.347 -3.266 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.173 -14.103 -1.101 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.562 -15.026 -1.020 1.00 0.00 H new ATOM 720 N ARG A 81 20.393 -12.715 -8.194 1.00 0.00 N ATOM 721 CA ARG A 81 19.941 -12.941 -9.560 1.00 0.00 C ATOM 722 C ARG A 81 20.844 -13.963 -10.244 1.00 0.00 C ATOM 723 O ARG A 81 20.361 -14.823 -10.975 1.00 0.00 O ATOM 724 CB ARG A 81 19.934 -11.616 -10.335 1.00 0.00 C ATOM 725 CG ARG A 81 19.529 -11.853 -11.804 1.00 0.00 C ATOM 726 CD ARG A 81 18.118 -12.450 -11.874 1.00 0.00 C ATOM 727 NE ARG A 81 17.616 -12.480 -13.256 1.00 0.00 N ATOM 728 CZ ARG A 81 16.383 -12.914 -13.572 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.568 -13.376 -12.614 1.00 0.00 N ATOM 730 NH2 ARG A 81 15.969 -12.887 -14.842 1.00 0.00 N ATOM 0 H ARG A 81 20.463 -11.733 -7.929 1.00 0.00 H new ATOM 0 HA ARG A 81 18.925 -13.335 -9.543 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.239 -10.918 -9.868 1.00 0.00 H new ATOM 0 HB3 ARG A 81 20.922 -11.158 -10.293 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.562 -10.913 -12.354 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.241 -12.526 -12.281 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.129 -13.461 -11.467 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.442 -11.863 -11.252 1.00 0.00 H new ATOM 0 HE ARG A 81 18.228 -12.158 -14.006 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.883 -13.399 -11.644 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.633 -13.705 -12.855 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.588 -12.537 -15.573 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.034 -13.216 -15.081 1.00 0.00 H new ATOM 744 N TRP A 82 22.155 -13.870 -10.009 1.00 0.00 N ATOM 745 CA TRP A 82 23.096 -14.778 -10.623 1.00 0.00 C ATOM 746 C TRP A 82 23.075 -16.146 -9.933 1.00 0.00 C ATOM 747 O TRP A 82 22.636 -17.129 -10.518 1.00 0.00 O ATOM 748 CB TRP A 82 24.502 -14.178 -10.575 1.00 0.00 C ATOM 749 CG TRP A 82 25.508 -14.988 -11.318 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.341 -15.896 -10.784 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.773 -15.012 -12.746 1.00 0.00 C ATOM 752 NE1 TRP A 82 27.101 -16.496 -11.758 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.785 -15.986 -13.004 1.00 0.00 C ATOM 754 CE3 TRP A 82 25.254 -14.317 -13.859 1.00 0.00 C ATOM 755 CZ2 TRP A 82 27.245 -16.260 -14.293 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.717 -14.590 -15.159 1.00 0.00 C ATOM 757 CH2 TRP A 82 26.706 -15.563 -15.375 1.00 0.00 C ATOM 0 H TRP A 82 22.578 -13.172 -9.397 1.00 0.00 H new ATOM 0 HA TRP A 82 22.804 -14.925 -11.663 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.475 -13.171 -10.992 1.00 0.00 H new ATOM 0 HB3 TRP A 82 24.816 -14.085 -9.535 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.405 -16.124 -9.730 1.00 0.00 H new ATOM 0 HE1 TRP A 82 27.801 -17.218 -11.586 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.492 -13.566 -13.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 28.011 -17.005 -14.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 25.308 -14.047 -15.998 1.00 0.00 H new ATOM 0 HH2 TRP A 82 27.049 -15.772 -16.378 1.00 0.00 H new ATOM 768 N GLN A 83 23.574 -16.199 -8.697 1.00 0.00 N ATOM 769 CA GLN A 83 23.722 -17.441 -7.946 1.00 0.00 C ATOM 770 C GLN A 83 22.441 -18.284 -7.939 1.00 0.00 C ATOM 771 O GLN A 83 22.517 -19.508 -8.025 1.00 0.00 O ATOM 772 CB GLN A 83 24.136 -17.101 -6.507 1.00 0.00 C ATOM 773 CG GLN A 83 25.547 -16.490 -6.486 1.00 0.00 C ATOM 774 CD GLN A 83 26.609 -17.514 -6.884 1.00 0.00 C ATOM 775 OE1 GLN A 83 26.404 -18.716 -6.744 1.00 0.00 O ATOM 776 NE2 GLN A 83 27.749 -17.032 -7.380 1.00 0.00 N ATOM 0 H GLN A 83 23.888 -15.373 -8.187 1.00 0.00 H new ATOM 0 HA GLN A 83 24.488 -18.042 -8.436 1.00 0.00 H new ATOM 0 HB2 GLN A 83 23.423 -16.401 -6.072 1.00 0.00 H new ATOM 0 HB3 GLN A 83 24.113 -18.001 -5.893 1.00 0.00 H new ATOM 0 HG2 GLN A 83 25.586 -15.640 -7.168 1.00 0.00 H new ATOM 0 HG3 GLN A 83 25.764 -16.109 -5.488 1.00 0.00 H new ATOM 0 HE21 GLN A 83 27.877 -16.025 -7.479 1.00 0.00 H new ATOM 0 HE22 GLN A 83 28.493 -17.670 -7.660 1.00 0.00 H new ATOM 785 N LYS A 84 21.271 -17.648 -7.818 1.00 0.00 N ATOM 786 CA LYS A 84 20.012 -18.381 -7.720 1.00 0.00 C ATOM 787 C LYS A 84 19.481 -18.789 -9.105 1.00 0.00 C ATOM 788 O LYS A 84 18.584 -19.628 -9.177 1.00 0.00 O ATOM 789 CB LYS A 84 18.969 -17.516 -6.986 1.00 0.00 C ATOM 790 CG LYS A 84 18.516 -18.206 -5.695 1.00 0.00 C ATOM 791 CD LYS A 84 19.569 -17.977 -4.602 1.00 0.00 C ATOM 792 CE LYS A 84 19.042 -18.480 -3.255 1.00 0.00 C ATOM 793 NZ LYS A 84 19.953 -18.104 -2.157 1.00 0.00 N ATOM 0 H LYS A 84 21.173 -16.633 -7.786 1.00 0.00 H new ATOM 0 HA LYS A 84 20.195 -19.296 -7.157 1.00 0.00 H new ATOM 0 HB2 LYS A 84 19.395 -16.540 -6.754 1.00 0.00 H new ATOM 0 HB3 LYS A 84 18.110 -17.343 -7.634 1.00 0.00 H new ATOM 0 HG2 LYS A 84 17.552 -17.810 -5.376 1.00 0.00 H new ATOM 0 HG3 LYS A 84 18.381 -19.274 -5.868 1.00 0.00 H new ATOM 0 HD2 LYS A 84 20.491 -18.498 -4.859 1.00 0.00 H new ATOM 0 HD3 LYS A 84 19.811 -16.916 -4.534 1.00 0.00 H new ATOM 0 HE2 LYS A 84 18.052 -18.064 -3.069 1.00 0.00 H new ATOM 0 HE3 LYS A 84 18.931 -19.564 -3.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 19.574 -18.456 -1.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 20.890 -18.522 -2.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 20.038 -17.068 -2.116 1.00 0.00 H new ATOM 807 N VAL A 85 20.012 -18.204 -10.201 1.00 0.00 N ATOM 808 CA VAL A 85 19.519 -18.515 -11.546 1.00 0.00 C ATOM 809 C VAL A 85 20.682 -18.745 -12.527 1.00 0.00 C ATOM 810 O VAL A 85 20.962 -19.888 -12.886 1.00 0.00 O ATOM 811 CB VAL A 85 18.591 -17.384 -12.033 1.00 0.00 C ATOM 812 CG1 VAL A 85 17.901 -17.809 -13.334 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.523 -17.082 -10.974 1.00 0.00 C ATOM 0 H VAL A 85 20.772 -17.524 -10.175 1.00 0.00 H new ATOM 0 HA VAL A 85 18.948 -19.442 -11.504 1.00 0.00 H new ATOM 0 HB VAL A 85 19.189 -16.490 -12.206 1.00 0.00 H new ATOM 0 HG11 VAL A 85 17.246 -17.008 -13.677 1.00 0.00 H new ATOM 0 HG12 VAL A 85 18.654 -18.012 -14.095 1.00 0.00 H new ATOM 0 HG13 VAL A 85 17.312 -18.709 -13.156 1.00 0.00 H new ATOM 0 HG21 VAL A 85 16.874 -16.282 -11.330 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.928 -17.977 -10.791 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.007 -16.772 -10.048 1.00 0.00 H new ATOM 823 N LEU A 86 21.350 -17.666 -12.977 1.00 0.00 N ATOM 824 CA LEU A 86 22.435 -17.781 -13.953 1.00 0.00 C ATOM 825 C LEU A 86 23.622 -18.523 -13.340 1.00 0.00 C ATOM 826 O LEU A 86 24.347 -17.965 -12.519 1.00 0.00 O ATOM 827 CB LEU A 86 22.898 -16.387 -14.422 1.00 0.00 C ATOM 828 CG LEU A 86 21.852 -15.667 -15.300 1.00 0.00 C ATOM 829 CD1 LEU A 86 21.294 -16.610 -16.368 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.712 -15.121 -14.440 1.00 0.00 C ATOM 0 H LEU A 86 21.154 -16.711 -12.678 1.00 0.00 H new ATOM 0 HA LEU A 86 22.058 -18.339 -14.810 1.00 0.00 H new ATOM 0 HB2 LEU A 86 23.118 -15.771 -13.550 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.827 -16.489 -14.983 1.00 0.00 H new ATOM 0 HG LEU A 86 22.349 -14.834 -15.797 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.559 -16.080 -16.974 1.00 0.00 H new ATOM 0 HD12 LEU A 86 22.106 -16.959 -17.006 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.818 -17.464 -15.886 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.985 -14.617 -15.077 1.00 0.00 H new ATOM 0 HD22 LEU A 86 20.226 -15.943 -13.915 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.111 -14.413 -13.714 1.00 0.00 H new