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 Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -159:sc= 0.372 (180deg=-0.179) USER MOD Single : A 52 LYS NZ :NH3+ 156:sc= 1.23 (180deg=0.806) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.16) USER MOD Single : A 58 ASN : amide:sc= 0.87 K(o=0.87,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -170:sc= 0.71 (180deg=0.466) USER MOD Single : A 68 ASN : amide:sc= -0.45 K(o=-0.45,f=-1.7) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.2 X(o=-1.2,f=-0.97) USER MOD Single : A 74 THR OG1 : rot 180:sc=-0.00882 USER MOD Single : A 77 GLN : amide:sc= -0.789 K(o=-0.79,f=-0.26) USER MOD Single : A 78 CYS SG : rot 73:sc= 0.261 USER MOD Single : A 79 GLN : amide:sc= 0.139 X(o=0.14,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.0925 X(o=-0.093,f=-8.9e-05) USER MOD Single : A 83 GLN : amide:sc= -0.0858 K(o=-0.086,f=-0.95) USER MOD Single : A 84 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0854) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.221 -9.463 -12.853 1.00 0.00 N ATOM 90 CA TRP A 43 14.172 -8.940 -13.837 1.00 0.00 C ATOM 91 C TRP A 43 13.622 -9.016 -15.269 1.00 0.00 C ATOM 92 O TRP A 43 12.462 -9.379 -15.489 1.00 0.00 O ATOM 93 CB TRP A 43 15.498 -9.710 -13.717 1.00 0.00 C ATOM 94 CG TRP A 43 16.345 -9.307 -12.561 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.997 -9.368 -11.268 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.690 -8.769 -12.577 1.00 0.00 C ATOM 97 NE1 TRP A 43 17.009 -8.909 -10.465 1.00 0.00 N ATOM 98 CE2 TRP A 43 18.097 -8.514 -11.231 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.613 -8.467 -13.595 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.353 -7.980 -10.922 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.870 -7.920 -13.295 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.242 -7.676 -11.963 1.00 0.00 C ATOM 0 HA TRP A 43 14.341 -7.884 -13.624 1.00 0.00 H new ATOM 0 HB2 TRP A 43 15.279 -10.775 -13.637 1.00 0.00 H new ATOM 0 HB3 TRP A 43 16.069 -9.570 -14.635 1.00 0.00 H new ATOM 0 HD1 TRP A 43 15.046 -9.731 -10.907 1.00 0.00 H new ATOM 0 HE1 TRP A 43 16.968 -8.864 -9.447 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.350 -8.659 -14.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.634 -7.804 -9.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.557 -7.685 -14.095 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.211 -7.255 -11.741 1.00 0.00 H new ATOM 113 N THR A 44 14.484 -8.658 -16.236 1.00 0.00 N ATOM 114 CA THR A 44 14.162 -8.682 -17.655 1.00 0.00 C ATOM 115 C THR A 44 15.321 -9.336 -18.407 1.00 0.00 C ATOM 116 O THR A 44 16.451 -9.339 -17.922 1.00 0.00 O ATOM 117 CB THR A 44 13.948 -7.248 -18.162 1.00 0.00 C ATOM 118 OG1 THR A 44 15.014 -6.429 -17.728 1.00 0.00 O ATOM 119 CG2 THR A 44 12.630 -6.691 -17.628 1.00 0.00 C ATOM 0 H THR A 44 15.434 -8.341 -16.041 1.00 0.00 H new ATOM 0 HA THR A 44 13.247 -9.251 -17.822 1.00 0.00 H new ATOM 0 HB THR A 44 13.914 -7.260 -19.251 1.00 0.00 H new ATOM 0 HG1 THR A 44 14.878 -5.515 -18.053 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.490 -5.674 -17.994 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.806 -7.317 -17.970 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.653 -6.684 -16.538 1.00 0.00 H new ATOM 127 N ARG A 45 15.036 -9.883 -19.595 1.00 0.00 N ATOM 128 CA ARG A 45 16.048 -10.535 -20.420 1.00 0.00 C ATOM 129 C ARG A 45 17.242 -9.598 -20.624 1.00 0.00 C ATOM 130 O ARG A 45 18.388 -10.011 -20.472 1.00 0.00 O ATOM 131 CB ARG A 45 15.409 -10.921 -21.767 1.00 0.00 C ATOM 132 CG ARG A 45 16.295 -11.926 -22.536 1.00 0.00 C ATOM 133 CD ARG A 45 17.368 -11.207 -23.373 1.00 0.00 C ATOM 134 NE ARG A 45 16.780 -10.162 -24.225 1.00 0.00 N ATOM 135 CZ ARG A 45 17.419 -9.019 -24.539 1.00 0.00 C ATOM 136 NH1 ARG A 45 18.733 -8.894 -24.314 1.00 0.00 N ATOM 137 NH2 ARG A 45 16.735 -8.002 -25.075 1.00 0.00 N ATOM 0 H ARG A 45 14.102 -9.884 -20.005 1.00 0.00 H new ATOM 0 HA ARG A 45 16.414 -11.435 -19.927 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.425 -11.357 -21.594 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.260 -10.026 -22.372 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.776 -12.603 -21.830 1.00 0.00 H new ATOM 0 HG3 ARG A 45 15.672 -12.537 -23.189 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.110 -10.762 -22.710 1.00 0.00 H new ATOM 0 HD3 ARG A 45 17.892 -11.933 -23.995 1.00 0.00 H new ATOM 0 HE ARG A 45 15.842 -10.311 -24.596 1.00 0.00 H new ATOM 0 HH11 ARG A 45 19.256 -9.667 -23.903 1.00 0.00 H new ATOM 0 HH12 ARG A 45 19.211 -8.026 -24.554 1.00 0.00 H new ATOM 0 HH21 ARG A 45 15.733 -8.094 -25.244 1.00 0.00 H new ATOM 0 HH22 ARG A 45 17.215 -7.134 -25.314 1.00 0.00 H new ATOM 151 N GLU A 46 16.965 -8.336 -20.973 1.00 0.00 N ATOM 152 CA GLU A 46 18.010 -7.357 -21.230 1.00 0.00 C ATOM 153 C GLU A 46 18.928 -7.209 -20.014 1.00 0.00 C ATOM 154 O GLU A 46 20.148 -7.305 -20.146 1.00 0.00 O ATOM 155 CB GLU A 46 17.363 -6.013 -21.597 1.00 0.00 C ATOM 156 CG GLU A 46 18.360 -5.147 -22.375 1.00 0.00 C ATOM 157 CD GLU A 46 18.602 -5.712 -23.770 1.00 0.00 C ATOM 158 OE1 GLU A 46 17.714 -5.514 -24.627 1.00 0.00 O ATOM 159 OE2 GLU A 46 19.665 -6.342 -23.955 1.00 0.00 O ATOM 0 H GLU A 46 16.018 -7.974 -21.083 1.00 0.00 H new ATOM 0 HA GLU A 46 18.625 -7.697 -22.064 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.469 -6.182 -22.198 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.046 -5.494 -20.693 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.980 -4.128 -22.452 1.00 0.00 H new ATOM 0 HG3 GLU A 46 19.303 -5.095 -21.831 1.00 0.00 H new ATOM 166 N GLU A 47 18.346 -6.971 -18.833 1.00 0.00 N ATOM 167 CA GLU A 47 19.127 -6.784 -17.619 1.00 0.00 C ATOM 168 C GLU A 47 19.916 -8.056 -17.294 1.00 0.00 C ATOM 169 O GLU A 47 21.063 -7.974 -16.863 1.00 0.00 O ATOM 170 CB GLU A 47 18.197 -6.405 -16.463 1.00 0.00 C ATOM 171 CG GLU A 47 18.975 -5.625 -15.399 1.00 0.00 C ATOM 172 CD GLU A 47 18.861 -4.126 -15.641 1.00 0.00 C ATOM 173 OE1 GLU A 47 19.715 -3.603 -16.388 1.00 0.00 O ATOM 174 OE2 GLU A 47 17.917 -3.532 -15.071 1.00 0.00 O ATOM 0 H GLU A 47 17.337 -6.905 -18.699 1.00 0.00 H new ATOM 0 HA GLU A 47 19.842 -5.975 -17.770 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.369 -5.802 -16.835 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.765 -7.304 -16.023 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.591 -5.869 -14.409 1.00 0.00 H new ATOM 0 HG3 GLU A 47 20.023 -5.923 -15.417 1.00 0.00 H new ATOM 181 N ASP A 48 19.303 -9.231 -17.502 1.00 0.00 N ATOM 182 CA ASP A 48 19.961 -10.504 -17.229 1.00 0.00 C ATOM 183 C ASP A 48 21.195 -10.655 -18.116 1.00 0.00 C ATOM 184 O ASP A 48 22.266 -11.005 -17.628 1.00 0.00 O ATOM 185 CB ASP A 48 18.982 -11.661 -17.471 1.00 0.00 C ATOM 186 CG ASP A 48 17.896 -11.713 -16.401 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.200 -11.332 -15.251 1.00 0.00 O ATOM 188 OD2 ASP A 48 16.775 -12.143 -16.750 1.00 0.00 O ATOM 0 H ASP A 48 18.352 -9.319 -17.859 1.00 0.00 H new ATOM 0 HA ASP A 48 20.277 -10.526 -16.186 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.521 -11.549 -18.452 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.528 -12.604 -17.481 1.00 0.00 H new ATOM 193 N GLU A 49 21.048 -10.391 -19.421 1.00 0.00 N ATOM 194 CA GLU A 49 22.159 -10.496 -20.357 1.00 0.00 C ATOM 195 C GLU A 49 23.257 -9.504 -19.972 1.00 0.00 C ATOM 196 O GLU A 49 24.434 -9.858 -19.960 1.00 0.00 O ATOM 197 CB GLU A 49 21.662 -10.231 -21.784 1.00 0.00 C ATOM 198 CG GLU A 49 20.934 -11.471 -22.328 1.00 0.00 C ATOM 199 CD GLU A 49 21.888 -12.652 -22.500 1.00 0.00 C ATOM 200 OE1 GLU A 49 23.064 -12.397 -22.837 1.00 0.00 O ATOM 201 OE2 GLU A 49 21.424 -13.794 -22.289 1.00 0.00 O ATOM 0 H GLU A 49 20.167 -10.103 -19.846 1.00 0.00 H new ATOM 0 HA GLU A 49 22.574 -11.503 -20.317 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.990 -9.373 -21.790 1.00 0.00 H new ATOM 0 HB3 GLU A 49 22.504 -9.981 -22.430 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.129 -11.749 -21.648 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.473 -11.232 -23.286 1.00 0.00 H new ATOM 208 N LYS A 50 22.873 -8.263 -19.655 1.00 0.00 N ATOM 209 CA LYS A 50 23.832 -7.241 -19.259 1.00 0.00 C ATOM 210 C LYS A 50 24.602 -7.710 -18.022 1.00 0.00 C ATOM 211 O LYS A 50 25.827 -7.626 -17.985 1.00 0.00 O ATOM 212 CB LYS A 50 23.095 -5.928 -18.976 1.00 0.00 C ATOM 213 CG LYS A 50 22.644 -5.293 -20.299 1.00 0.00 C ATOM 214 CD LYS A 50 21.573 -4.221 -20.043 1.00 0.00 C ATOM 215 CE LYS A 50 22.150 -3.069 -19.209 1.00 0.00 C ATOM 216 NZ LYS A 50 21.969 -3.305 -17.765 1.00 0.00 N ATOM 0 H LYS A 50 21.903 -7.948 -19.667 1.00 0.00 H new ATOM 0 HA LYS A 50 24.545 -7.072 -20.066 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.231 -6.115 -18.338 1.00 0.00 H new ATOM 0 HB3 LYS A 50 23.748 -5.242 -18.436 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.500 -4.847 -20.806 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.247 -6.062 -20.962 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.200 -3.838 -20.993 1.00 0.00 H new ATOM 0 HD3 LYS A 50 20.724 -4.664 -19.522 1.00 0.00 H new ATOM 0 HE2 LYS A 50 23.211 -2.954 -19.430 1.00 0.00 H new ATOM 0 HE3 LYS A 50 21.663 -2.135 -19.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 22.030 -2.401 -17.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 21.037 -3.735 -17.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 22.712 -3.946 -17.422 1.00 0.00 H new ATOM 230 N LEU A 51 23.876 -8.206 -17.013 1.00 0.00 N ATOM 231 CA LEU A 51 24.481 -8.692 -15.783 1.00 0.00 C ATOM 232 C LEU A 51 25.453 -9.827 -16.099 1.00 0.00 C ATOM 233 O LEU A 51 26.584 -9.820 -15.629 1.00 0.00 O ATOM 234 CB LEU A 51 23.370 -9.168 -14.833 1.00 0.00 C ATOM 235 CG LEU A 51 23.962 -9.657 -13.501 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.489 -8.468 -12.691 1.00 0.00 C ATOM 237 CD2 LEU A 51 22.873 -10.373 -12.698 1.00 0.00 C ATOM 0 H LEU A 51 22.859 -8.278 -17.033 1.00 0.00 H new ATOM 0 HA LEU A 51 25.040 -7.892 -15.299 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.670 -8.353 -14.648 1.00 0.00 H new ATOM 0 HB3 LEU A 51 22.805 -9.973 -15.302 1.00 0.00 H new ATOM 0 HG LEU A 51 24.785 -10.342 -13.705 1.00 0.00 H new ATOM 0 HD11 LEU A 51 24.906 -8.825 -11.750 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.264 -7.955 -13.260 1.00 0.00 H new ATOM 0 HD13 LEU A 51 23.672 -7.776 -12.486 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.288 -10.722 -11.752 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.053 -9.683 -12.502 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.502 -11.225 -13.267 1.00 0.00 H new ATOM 249 N LYS A 52 25.002 -10.798 -16.898 1.00 0.00 N ATOM 250 CA LYS A 52 25.816 -11.942 -17.280 1.00 0.00 C ATOM 251 C LYS A 52 27.141 -11.472 -17.885 1.00 0.00 C ATOM 252 O LYS A 52 28.207 -11.923 -17.474 1.00 0.00 O ATOM 253 CB LYS A 52 25.024 -12.792 -18.280 1.00 0.00 C ATOM 254 CG LYS A 52 25.876 -13.966 -18.772 1.00 0.00 C ATOM 255 CD LYS A 52 24.987 -15.009 -19.462 1.00 0.00 C ATOM 256 CE LYS A 52 24.137 -14.339 -20.547 1.00 0.00 C ATOM 257 NZ LYS A 52 23.441 -15.338 -21.376 1.00 0.00 N ATOM 0 H LYS A 52 24.062 -10.808 -17.295 1.00 0.00 H new ATOM 0 HA LYS A 52 26.051 -12.544 -16.402 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.115 -13.166 -17.810 1.00 0.00 H new ATOM 0 HB3 LYS A 52 24.716 -12.178 -19.126 1.00 0.00 H new ATOM 0 HG2 LYS A 52 26.636 -13.608 -19.466 1.00 0.00 H new ATOM 0 HG3 LYS A 52 26.401 -14.422 -17.932 1.00 0.00 H new ATOM 0 HD2 LYS A 52 25.605 -15.790 -19.904 1.00 0.00 H new ATOM 0 HD3 LYS A 52 24.341 -15.491 -18.728 1.00 0.00 H new ATOM 0 HE2 LYS A 52 23.407 -13.677 -20.082 1.00 0.00 H new ATOM 0 HE3 LYS A 52 24.773 -13.719 -21.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 22.598 -14.906 -21.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 24.079 -15.672 -22.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 23.153 -16.142 -20.782 1.00 0.00 H new ATOM 271 N LYS A 53 27.071 -10.564 -18.863 1.00 0.00 N ATOM 272 CA LYS A 53 28.261 -10.050 -19.524 1.00 0.00 C ATOM 273 C LYS A 53 29.174 -9.363 -18.505 1.00 0.00 C ATOM 274 O LYS A 53 30.376 -9.625 -18.476 1.00 0.00 O ATOM 275 CB LYS A 53 27.850 -9.071 -20.632 1.00 0.00 C ATOM 276 CG LYS A 53 27.097 -9.811 -21.748 1.00 0.00 C ATOM 277 CD LYS A 53 28.087 -10.534 -22.667 1.00 0.00 C ATOM 278 CE LYS A 53 27.318 -11.247 -23.783 1.00 0.00 C ATOM 279 NZ LYS A 53 28.232 -11.998 -24.661 1.00 0.00 N ATOM 0 H LYS A 53 26.196 -10.172 -19.211 1.00 0.00 H new ATOM 0 HA LYS A 53 28.812 -10.876 -19.972 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.218 -8.286 -20.217 1.00 0.00 H new ATOM 0 HB3 LYS A 53 28.735 -8.584 -21.042 1.00 0.00 H new ATOM 0 HG2 LYS A 53 26.402 -10.530 -21.313 1.00 0.00 H new ATOM 0 HG3 LYS A 53 26.503 -9.104 -22.327 1.00 0.00 H new ATOM 0 HD2 LYS A 53 28.791 -9.820 -23.094 1.00 0.00 H new ATOM 0 HD3 LYS A 53 28.671 -11.255 -22.095 1.00 0.00 H new ATOM 0 HE2 LYS A 53 26.586 -11.927 -23.347 1.00 0.00 H new ATOM 0 HE3 LYS A 53 26.763 -10.516 -24.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 27.685 -12.471 -25.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 28.914 -11.343 -25.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 28.743 -12.711 -24.102 1.00 0.00 H new ATOM 293 N LEU A 54 28.604 -8.484 -17.671 1.00 0.00 N ATOM 294 CA LEU A 54 29.374 -7.761 -16.666 1.00 0.00 C ATOM 295 C LEU A 54 30.055 -8.741 -15.707 1.00 0.00 C ATOM 296 O LEU A 54 31.189 -8.508 -15.297 1.00 0.00 O ATOM 297 CB LEU A 54 28.450 -6.807 -15.896 1.00 0.00 C ATOM 298 CG LEU A 54 28.032 -5.628 -16.791 1.00 0.00 C ATOM 299 CD1 LEU A 54 26.835 -4.913 -16.158 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.193 -4.637 -16.936 1.00 0.00 C ATOM 0 H LEU A 54 27.609 -8.260 -17.677 1.00 0.00 H new ATOM 0 HA LEU A 54 30.150 -7.178 -17.163 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.565 -7.344 -15.554 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.960 -6.435 -15.007 1.00 0.00 H new ATOM 0 HG LEU A 54 27.762 -6.007 -17.776 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.535 -4.076 -16.789 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.003 -5.611 -16.062 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.113 -4.542 -15.172 1.00 0.00 H new ATOM 0 HD21 LEU A 54 28.885 -3.807 -17.572 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.472 -4.257 -15.953 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.048 -5.141 -17.386 1.00 0.00 H new ATOM 312 N VAL A 55 29.367 -9.833 -15.354 1.00 0.00 N ATOM 313 CA VAL A 55 29.917 -10.838 -14.453 1.00 0.00 C ATOM 314 C VAL A 55 31.101 -11.538 -15.120 1.00 0.00 C ATOM 315 O VAL A 55 32.159 -11.672 -14.512 1.00 0.00 O ATOM 316 CB VAL A 55 28.815 -11.841 -14.071 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.438 -13.117 -13.495 1.00 0.00 C ATOM 318 CG2 VAL A 55 27.899 -11.214 -13.018 1.00 0.00 C ATOM 0 H VAL A 55 28.424 -10.039 -15.684 1.00 0.00 H new ATOM 0 HA VAL A 55 30.278 -10.362 -13.541 1.00 0.00 H new ATOM 0 HB VAL A 55 28.241 -12.092 -14.963 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.648 -13.819 -13.228 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.091 -13.571 -14.240 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.018 -12.869 -12.606 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.118 -11.924 -12.746 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.482 -10.960 -12.133 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.444 -10.311 -13.423 1.00 0.00 H new ATOM 328 N GLU A 56 30.924 -11.981 -16.370 1.00 0.00 N ATOM 329 CA GLU A 56 31.985 -12.660 -17.106 1.00 0.00 C ATOM 330 C GLU A 56 33.231 -11.771 -17.182 1.00 0.00 C ATOM 331 O GLU A 56 34.350 -12.261 -17.048 1.00 0.00 O ATOM 332 CB GLU A 56 31.492 -13.010 -18.520 1.00 0.00 C ATOM 333 CG GLU A 56 31.114 -14.495 -18.599 1.00 0.00 C ATOM 334 CD GLU A 56 29.818 -14.780 -17.849 1.00 0.00 C ATOM 335 OE1 GLU A 56 29.901 -14.971 -16.617 1.00 0.00 O ATOM 336 OE2 GLU A 56 28.769 -14.806 -18.527 1.00 0.00 O ATOM 0 H GLU A 56 30.052 -11.879 -16.890 1.00 0.00 H new ATOM 0 HA GLU A 56 32.249 -13.580 -16.584 1.00 0.00 H new ATOM 0 HB2 GLU A 56 30.630 -12.394 -18.775 1.00 0.00 H new ATOM 0 HB3 GLU A 56 32.270 -12.786 -19.250 1.00 0.00 H new ATOM 0 HG2 GLU A 56 31.004 -14.789 -19.643 1.00 0.00 H new ATOM 0 HG3 GLU A 56 31.919 -15.100 -18.181 1.00 0.00 H new ATOM 343 N GLN A 57 33.034 -10.465 -17.404 1.00 0.00 N ATOM 344 CA GLN A 57 34.141 -9.526 -17.523 1.00 0.00 C ATOM 345 C GLN A 57 34.799 -9.286 -16.161 1.00 0.00 C ATOM 346 O GLN A 57 36.015 -9.410 -16.035 1.00 0.00 O ATOM 347 CB GLN A 57 33.626 -8.206 -18.111 1.00 0.00 C ATOM 348 CG GLN A 57 33.217 -8.401 -19.577 1.00 0.00 C ATOM 349 CD GLN A 57 34.436 -8.644 -20.463 1.00 0.00 C ATOM 350 OE1 GLN A 57 35.132 -7.703 -20.833 1.00 0.00 O ATOM 351 NE2 GLN A 57 34.692 -9.908 -20.802 1.00 0.00 N ATOM 0 H GLN A 57 32.112 -10.040 -17.504 1.00 0.00 H new ATOM 0 HA GLN A 57 34.895 -9.947 -18.188 1.00 0.00 H new ATOM 0 HB2 GLN A 57 32.773 -7.850 -17.533 1.00 0.00 H new ATOM 0 HB3 GLN A 57 34.400 -7.442 -18.041 1.00 0.00 H new ATOM 0 HG2 GLN A 57 32.532 -9.245 -19.657 1.00 0.00 H new ATOM 0 HG3 GLN A 57 32.679 -7.520 -19.927 1.00 0.00 H new ATOM 0 HE21 GLN A 57 34.085 -10.658 -20.470 1.00 0.00 H new ATOM 0 HE22 GLN A 57 35.495 -10.125 -21.393 1.00 0.00 H new ATOM 360 N ASN A 58 33.998 -8.930 -15.149 1.00 0.00 N ATOM 361 CA ASN A 58 34.517 -8.634 -13.818 1.00 0.00 C ATOM 362 C ASN A 58 34.691 -9.927 -13.020 1.00 0.00 C ATOM 363 O ASN A 58 35.796 -10.458 -12.934 1.00 0.00 O ATOM 364 CB ASN A 58 33.566 -7.667 -13.099 1.00 0.00 C ATOM 365 CG ASN A 58 33.571 -6.295 -13.766 1.00 0.00 C ATOM 366 OD1 ASN A 58 34.335 -5.415 -13.377 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.715 -6.112 -14.772 1.00 0.00 N ATOM 0 H ASN A 58 32.985 -8.841 -15.232 1.00 0.00 H new ATOM 0 HA ASN A 58 35.494 -8.159 -13.906 1.00 0.00 H new ATOM 0 HB2 ASN A 58 32.555 -8.074 -13.105 1.00 0.00 H new ATOM 0 HB3 ASN A 58 33.863 -7.568 -12.055 1.00 0.00 H new ATOM 0 HD21 ASN A 58 32.677 -5.213 -15.252 1.00 0.00 H new ATOM 0 HD22 ASN A 58 32.099 -6.871 -15.062 1.00 0.00 H new ATOM 374 N GLY A 59 33.599 -10.426 -12.431 1.00 0.00 N ATOM 375 CA GLY A 59 33.635 -11.638 -11.631 1.00 0.00 C ATOM 376 C GLY A 59 32.378 -11.726 -10.773 1.00 0.00 C ATOM 377 O GLY A 59 31.344 -11.165 -11.129 1.00 0.00 O ATOM 0 H GLY A 59 32.675 -9.999 -12.499 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.706 -12.511 -12.280 1.00 0.00 H new ATOM 0 HA3 GLY A 59 34.521 -11.640 -10.996 1.00 0.00 H new ATOM 381 N THR A 60 32.473 -12.433 -9.639 1.00 0.00 N ATOM 382 CA THR A 60 31.349 -12.597 -8.720 1.00 0.00 C ATOM 383 C THR A 60 31.793 -12.294 -7.284 1.00 0.00 C ATOM 384 O THR A 60 31.131 -12.706 -6.332 1.00 0.00 O ATOM 385 CB THR A 60 30.809 -14.031 -8.831 1.00 0.00 C ATOM 386 OG1 THR A 60 31.862 -14.953 -8.642 1.00 0.00 O ATOM 387 CG2 THR A 60 30.187 -14.251 -10.212 1.00 0.00 C ATOM 0 H THR A 60 33.327 -12.903 -9.338 1.00 0.00 H new ATOM 0 HA THR A 60 30.556 -11.898 -8.984 1.00 0.00 H new ATOM 0 HB THR A 60 30.049 -14.182 -8.065 1.00 0.00 H new ATOM 0 HG1 THR A 60 31.514 -15.866 -8.712 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.807 -15.270 -10.282 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.368 -13.547 -10.358 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.943 -14.092 -10.981 1.00 0.00 H new ATOM 395 N ASP A 61 32.915 -11.572 -7.133 1.00 0.00 N ATOM 396 CA ASP A 61 33.446 -11.220 -5.824 1.00 0.00 C ATOM 397 C ASP A 61 32.854 -9.878 -5.376 1.00 0.00 C ATOM 398 O ASP A 61 31.812 -9.851 -4.719 1.00 0.00 O ATOM 399 CB ASP A 61 34.977 -11.170 -5.904 1.00 0.00 C ATOM 400 CG ASP A 61 35.583 -10.711 -4.584 1.00 0.00 C ATOM 401 OD1 ASP A 61 35.205 -11.301 -3.550 1.00 0.00 O ATOM 402 OD2 ASP A 61 36.414 -9.780 -4.637 1.00 0.00 O ATOM 0 H ASP A 61 33.470 -11.222 -7.914 1.00 0.00 H new ATOM 0 HA ASP A 61 33.168 -11.969 -5.083 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.363 -12.157 -6.161 1.00 0.00 H new ATOM 0 HB3 ASP A 61 35.280 -10.492 -6.702 1.00 0.00 H new ATOM 407 N ASP A 62 33.512 -8.765 -5.736 1.00 0.00 N ATOM 408 CA ASP A 62 33.035 -7.435 -5.386 1.00 0.00 C ATOM 409 C ASP A 62 31.823 -7.071 -6.246 1.00 0.00 C ATOM 410 O ASP A 62 31.952 -6.407 -7.275 1.00 0.00 O ATOM 411 CB ASP A 62 34.174 -6.408 -5.546 1.00 0.00 C ATOM 412 CG ASP A 62 34.437 -5.671 -4.236 1.00 0.00 C ATOM 413 OD1 ASP A 62 35.019 -6.302 -3.333 1.00 0.00 O ATOM 414 OD2 ASP A 62 34.045 -4.480 -4.167 1.00 0.00 O ATOM 0 H ASP A 62 34.380 -8.769 -6.272 1.00 0.00 H new ATOM 0 HA ASP A 62 32.719 -7.424 -4.343 1.00 0.00 H new ATOM 0 HB2 ASP A 62 35.083 -6.915 -5.870 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.914 -5.691 -6.325 1.00 0.00 H new ATOM 419 N TRP A 63 30.637 -7.505 -5.812 1.00 0.00 N ATOM 420 CA TRP A 63 29.399 -7.197 -6.512 1.00 0.00 C ATOM 421 C TRP A 63 29.165 -5.687 -6.516 1.00 0.00 C ATOM 422 O TRP A 63 28.432 -5.176 -7.357 1.00 0.00 O ATOM 423 CB TRP A 63 28.246 -7.937 -5.842 1.00 0.00 C ATOM 424 CG TRP A 63 28.202 -9.393 -6.169 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.561 -10.397 -5.353 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.797 -10.031 -7.414 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.413 -11.612 -5.976 1.00 0.00 N ATOM 428 CE2 TRP A 63 27.939 -11.446 -7.264 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.327 -9.562 -8.663 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.631 -12.341 -8.292 1.00 0.00 C ATOM 431 CZ3 TRP A 63 27.012 -10.463 -9.700 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.166 -11.847 -9.515 1.00 0.00 C ATOM 0 H TRP A 63 30.514 -8.073 -4.974 1.00 0.00 H new ATOM 0 HA TRP A 63 29.465 -7.526 -7.549 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.327 -7.818 -4.762 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.305 -7.477 -6.144 1.00 0.00 H new ATOM 0 HD1 TRP A 63 28.918 -10.267 -4.342 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.624 -12.513 -5.547 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.208 -8.501 -8.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 27.751 -13.404 -8.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.649 -10.086 -10.645 1.00 0.00 H new ATOM 0 HH2 TRP A 63 26.925 -12.529 -10.317 1.00 0.00 H new ATOM 443 N LYS A 64 29.809 -4.977 -5.581 1.00 0.00 N ATOM 444 CA LYS A 64 29.731 -3.531 -5.500 1.00 0.00 C ATOM 445 C LYS A 64 30.125 -2.920 -6.848 1.00 0.00 C ATOM 446 O LYS A 64 29.461 -2.011 -7.335 1.00 0.00 O ATOM 447 CB LYS A 64 30.678 -3.068 -4.385 1.00 0.00 C ATOM 448 CG LYS A 64 30.730 -1.536 -4.314 1.00 0.00 C ATOM 449 CD LYS A 64 31.793 -1.106 -3.291 1.00 0.00 C ATOM 450 CE LYS A 64 33.113 -0.764 -4.000 1.00 0.00 C ATOM 451 NZ LYS A 64 33.626 -1.905 -4.784 1.00 0.00 N ATOM 0 H LYS A 64 30.397 -5.399 -4.863 1.00 0.00 H new ATOM 0 HA LYS A 64 28.716 -3.207 -5.271 1.00 0.00 H new ATOM 0 HB2 LYS A 64 30.344 -3.470 -3.428 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.678 -3.462 -4.564 1.00 0.00 H new ATOM 0 HG2 LYS A 64 30.966 -1.124 -5.295 1.00 0.00 H new ATOM 0 HG3 LYS A 64 29.755 -1.141 -4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 64 31.439 -0.240 -2.731 1.00 0.00 H new ATOM 0 HD3 LYS A 64 31.957 -1.907 -2.570 1.00 0.00 H new ATOM 0 HE2 LYS A 64 32.961 0.091 -4.659 1.00 0.00 H new ATOM 0 HE3 LYS A 64 33.857 -0.468 -3.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 34.593 -1.698 -5.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 33.635 -2.758 -4.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 33.012 -2.064 -5.608 1.00 0.00 H new ATOM 465 N VAL A 65 31.212 -3.430 -7.446 1.00 0.00 N ATOM 466 CA VAL A 65 31.705 -2.936 -8.726 1.00 0.00 C ATOM 467 C VAL A 65 30.612 -3.053 -9.789 1.00 0.00 C ATOM 468 O VAL A 65 30.354 -2.104 -10.527 1.00 0.00 O ATOM 469 CB VAL A 65 32.950 -3.744 -9.129 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.388 -3.359 -10.543 1.00 0.00 C ATOM 471 CG2 VAL A 65 34.091 -3.453 -8.153 1.00 0.00 C ATOM 0 H VAL A 65 31.766 -4.191 -7.054 1.00 0.00 H new ATOM 0 HA VAL A 65 31.977 -1.884 -8.637 1.00 0.00 H new ATOM 0 HB VAL A 65 32.705 -4.806 -9.102 1.00 0.00 H new ATOM 0 HG11 VAL A 65 34.270 -3.936 -10.820 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.581 -3.571 -11.244 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.626 -2.296 -10.573 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.972 -4.027 -8.441 1.00 0.00 H new ATOM 0 HG22 VAL A 65 34.328 -2.389 -8.177 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.788 -3.735 -7.145 1.00 0.00 H new ATOM 481 N ILE A 66 29.971 -4.221 -9.864 1.00 0.00 N ATOM 482 CA ILE A 66 28.916 -4.462 -10.835 1.00 0.00 C ATOM 483 C ILE A 66 27.725 -3.545 -10.541 1.00 0.00 C ATOM 484 O ILE A 66 27.106 -3.017 -11.464 1.00 0.00 O ATOM 485 CB ILE A 66 28.522 -5.946 -10.789 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.701 -6.791 -11.302 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.291 -6.189 -11.671 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.573 -8.234 -10.823 1.00 0.00 C ATOM 0 H ILE A 66 30.170 -5.016 -9.257 1.00 0.00 H new ATOM 0 HA ILE A 66 29.265 -4.234 -11.842 1.00 0.00 H new ATOM 0 HB ILE A 66 28.282 -6.228 -9.764 1.00 0.00 H new ATOM 0 HG12 ILE A 66 29.728 -6.764 -12.391 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.641 -6.367 -10.949 1.00 0.00 H new ATOM 0 HG21 ILE A 66 27.018 -7.244 -11.633 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.459 -5.586 -11.308 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.520 -5.911 -12.700 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.415 -8.817 -11.195 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.569 -8.257 -9.733 1.00 0.00 H new ATOM 0 HD13 ILE A 66 28.643 -8.661 -11.198 1.00 0.00 H new ATOM 500 N ALA A 67 27.413 -3.348 -9.254 1.00 0.00 N ATOM 501 CA ALA A 67 26.315 -2.485 -8.849 1.00 0.00 C ATOM 502 C ALA A 67 26.583 -1.048 -9.303 1.00 0.00 C ATOM 503 O ALA A 67 25.661 -0.352 -9.717 1.00 0.00 O ATOM 504 CB ALA A 67 26.142 -2.554 -7.331 1.00 0.00 C ATOM 0 H ALA A 67 27.913 -3.781 -8.477 1.00 0.00 H new ATOM 0 HA ALA A 67 25.392 -2.824 -9.320 1.00 0.00 H new ATOM 0 HB1 ALA A 67 25.319 -1.907 -7.029 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.924 -3.580 -7.036 1.00 0.00 H new ATOM 0 HB3 ALA A 67 27.060 -2.224 -6.845 1.00 0.00 H new ATOM 510 N ASN A 68 27.847 -0.603 -9.232 1.00 0.00 N ATOM 511 CA ASN A 68 28.210 0.747 -9.656 1.00 0.00 C ATOM 512 C ASN A 68 27.886 0.930 -11.141 1.00 0.00 C ATOM 513 O ASN A 68 27.492 2.018 -11.556 1.00 0.00 O ATOM 514 CB ASN A 68 29.704 1.005 -9.400 1.00 0.00 C ATOM 515 CG ASN A 68 30.058 0.904 -7.915 1.00 0.00 C ATOM 516 OD1 ASN A 68 31.068 0.301 -7.557 1.00 0.00 O ATOM 517 ND2 ASN A 68 29.234 1.497 -7.050 1.00 0.00 N ATOM 0 H ASN A 68 28.628 -1.160 -8.886 1.00 0.00 H new ATOM 0 HA ASN A 68 27.632 1.467 -9.076 1.00 0.00 H new ATOM 0 HB2 ASN A 68 30.298 0.285 -9.964 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.969 1.996 -9.769 1.00 0.00 H new ATOM 0 HD21 ASN A 68 29.432 1.460 -6.050 1.00 0.00 H new ATOM 0 HD22 ASN A 68 28.406 1.987 -7.388 1.00 0.00 H new ATOM 524 N TYR A 69 28.047 -0.136 -11.939 1.00 0.00 N ATOM 525 CA TYR A 69 27.764 -0.080 -13.370 1.00 0.00 C ATOM 526 C TYR A 69 26.258 -0.200 -13.623 1.00 0.00 C ATOM 527 O TYR A 69 25.797 0.099 -14.724 1.00 0.00 O ATOM 528 CB TYR A 69 28.509 -1.211 -14.089 1.00 0.00 C ATOM 529 CG TYR A 69 30.006 -1.246 -13.834 1.00 0.00 C ATOM 530 CD1 TYR A 69 30.733 -0.053 -13.636 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.676 -2.482 -13.810 1.00 0.00 C ATOM 532 CE1 TYR A 69 32.120 -0.104 -13.412 1.00 0.00 C ATOM 533 CE2 TYR A 69 32.062 -2.529 -13.592 1.00 0.00 C ATOM 534 CZ TYR A 69 32.783 -1.341 -13.391 1.00 0.00 C ATOM 535 OH TYR A 69 34.129 -1.390 -13.178 1.00 0.00 O ATOM 0 H TYR A 69 28.372 -1.046 -11.612 1.00 0.00 H new ATOM 0 HA TYR A 69 28.105 0.880 -13.759 1.00 0.00 H new ATOM 0 HB2 TYR A 69 28.079 -2.164 -13.781 1.00 0.00 H new ATOM 0 HB3 TYR A 69 28.339 -1.116 -15.161 1.00 0.00 H new ATOM 0 HD1 TYR A 69 30.224 0.899 -13.657 1.00 0.00 H new ATOM 0 HD2 TYR A 69 30.123 -3.397 -13.960 1.00 0.00 H new ATOM 0 HE1 TYR A 69 32.676 0.809 -13.256 1.00 0.00 H new ATOM 0 HE2 TYR A 69 32.574 -3.480 -13.579 1.00 0.00 H new ATOM 0 HH TYR A 69 34.429 -2.323 -13.193 1.00 0.00 H new ATOM 545 N LEU A 70 25.495 -0.635 -12.607 1.00 0.00 N ATOM 546 CA LEU A 70 24.049 -0.790 -12.720 1.00 0.00 C ATOM 547 C LEU A 70 23.357 0.036 -11.631 1.00 0.00 C ATOM 548 O LEU A 70 22.955 -0.525 -10.612 1.00 0.00 O ATOM 549 CB LEU A 70 23.682 -2.277 -12.564 1.00 0.00 C ATOM 550 CG LEU A 70 24.324 -3.126 -13.673 1.00 0.00 C ATOM 551 CD1 LEU A 70 24.099 -4.608 -13.361 1.00 0.00 C ATOM 552 CD2 LEU A 70 23.691 -2.796 -15.028 1.00 0.00 C ATOM 0 H LEU A 70 25.868 -0.886 -11.691 1.00 0.00 H new ATOM 0 HA LEU A 70 23.718 -0.438 -13.697 1.00 0.00 H new ATOM 0 HB2 LEU A 70 24.013 -2.636 -11.590 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.599 -2.392 -12.595 1.00 0.00 H new ATOM 0 HG LEU A 70 25.391 -2.908 -13.717 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.552 -5.217 -14.143 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.556 -4.851 -12.402 1.00 0.00 H new ATOM 0 HD13 LEU A 70 23.029 -4.812 -13.316 1.00 0.00 H new ATOM 0 HD21 LEU A 70 24.155 -3.404 -15.804 1.00 0.00 H new ATOM 0 HD22 LEU A 70 22.622 -3.008 -14.992 1.00 0.00 H new ATOM 0 HD23 LEU A 70 23.844 -1.741 -15.254 1.00 0.00 H new ATOM 564 N PRO A 71 23.212 1.369 -11.836 1.00 0.00 N ATOM 565 CA PRO A 71 22.564 2.251 -10.877 1.00 0.00 C ATOM 566 C PRO A 71 21.056 1.963 -10.828 1.00 0.00 C ATOM 567 O PRO A 71 20.245 2.764 -11.281 1.00 0.00 O ATOM 568 CB PRO A 71 22.865 3.674 -11.368 1.00 0.00 C ATOM 569 CG PRO A 71 23.373 3.538 -12.808 1.00 0.00 C ATOM 570 CD PRO A 71 23.689 2.056 -13.021 1.00 0.00 C ATOM 0 HA PRO A 71 22.929 2.108 -9.860 1.00 0.00 H new ATOM 0 HB2 PRO A 71 21.970 4.295 -11.329 1.00 0.00 H new ATOM 0 HB3 PRO A 71 23.613 4.153 -10.736 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.620 3.880 -13.518 1.00 0.00 H new ATOM 0 HG3 PRO A 71 24.261 4.150 -12.965 1.00 0.00 H new ATOM 0 HD2 PRO A 71 23.196 1.677 -13.916 1.00 0.00 H new ATOM 0 HD3 PRO A 71 24.759 1.901 -13.157 1.00 0.00 H new ATOM 578 N ASN A 72 20.703 0.802 -10.274 1.00 0.00 N ATOM 579 CA ASN A 72 19.326 0.343 -10.164 1.00 0.00 C ATOM 580 C ASN A 72 19.330 -1.008 -9.455 1.00 0.00 C ATOM 581 O ASN A 72 18.466 -1.282 -8.624 1.00 0.00 O ATOM 582 CB ASN A 72 18.697 0.194 -11.565 1.00 0.00 C ATOM 583 CG ASN A 72 17.878 1.422 -11.964 1.00 0.00 C ATOM 584 OD1 ASN A 72 18.088 1.989 -13.033 1.00 0.00 O ATOM 585 ND2 ASN A 72 16.940 1.828 -11.108 1.00 0.00 N ATOM 0 H ASN A 72 21.380 0.147 -9.884 1.00 0.00 H new ATOM 0 HA ASN A 72 18.738 1.067 -9.600 1.00 0.00 H new ATOM 0 HB2 ASN A 72 19.485 0.031 -12.300 1.00 0.00 H new ATOM 0 HB3 ASN A 72 18.057 -0.688 -11.582 1.00 0.00 H new ATOM 0 HD21 ASN A 72 16.363 2.639 -11.331 1.00 0.00 H new ATOM 0 HD22 ASN A 72 16.799 1.327 -10.231 1.00 0.00 H new ATOM 592 N ARG A 73 20.317 -1.849 -9.797 1.00 0.00 N ATOM 593 CA ARG A 73 20.459 -3.174 -9.221 1.00 0.00 C ATOM 594 C ARG A 73 21.530 -3.135 -8.134 1.00 0.00 C ATOM 595 O ARG A 73 22.720 -3.085 -8.438 1.00 0.00 O ATOM 596 CB ARG A 73 20.853 -4.176 -10.320 1.00 0.00 C ATOM 597 CG ARG A 73 19.968 -4.008 -11.565 1.00 0.00 C ATOM 598 CD ARG A 73 18.511 -4.337 -11.237 1.00 0.00 C ATOM 599 NE ARG A 73 17.696 -4.285 -12.455 1.00 0.00 N ATOM 600 CZ ARG A 73 16.512 -4.902 -12.588 1.00 0.00 C ATOM 601 NH1 ARG A 73 15.966 -5.562 -11.556 1.00 0.00 N ATOM 602 NH2 ARG A 73 15.881 -4.853 -13.765 1.00 0.00 N ATOM 0 H ARG A 73 21.036 -1.619 -10.483 1.00 0.00 H new ATOM 0 HA ARG A 73 19.513 -3.490 -8.782 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.899 -4.031 -10.591 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.761 -5.193 -9.939 1.00 0.00 H new ATOM 0 HG2 ARG A 73 20.041 -2.985 -11.935 1.00 0.00 H new ATOM 0 HG3 ARG A 73 20.324 -4.661 -12.362 1.00 0.00 H new ATOM 0 HD2 ARG A 73 18.446 -5.328 -10.789 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.127 -3.629 -10.502 1.00 0.00 H new ATOM 0 HE ARG A 73 18.050 -3.749 -13.247 1.00 0.00 H new ATOM 0 HH11 ARG A 73 16.451 -5.598 -10.660 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.065 -6.028 -11.668 1.00 0.00 H new ATOM 0 HH21 ARG A 73 16.300 -4.351 -14.548 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.980 -5.318 -13.881 1.00 0.00 H new ATOM 616 N THR A 74 21.112 -3.162 -6.865 1.00 0.00 N ATOM 617 CA THR A 74 22.051 -3.164 -5.752 1.00 0.00 C ATOM 618 C THR A 74 22.813 -4.495 -5.741 1.00 0.00 C ATOM 619 O THR A 74 22.337 -5.489 -6.291 1.00 0.00 O ATOM 620 CB THR A 74 21.304 -2.916 -4.425 1.00 0.00 C ATOM 621 OG1 THR A 74 22.205 -3.033 -3.344 1.00 0.00 O ATOM 622 CG2 THR A 74 20.172 -3.929 -4.240 1.00 0.00 C ATOM 0 H THR A 74 20.130 -3.183 -6.589 1.00 0.00 H new ATOM 0 HA THR A 74 22.774 -2.357 -5.870 1.00 0.00 H new ATOM 0 HB THR A 74 20.880 -1.912 -4.454 1.00 0.00 H new ATOM 0 HG1 THR A 74 21.729 -2.874 -2.502 1.00 0.00 H new ATOM 0 HG21 THR A 74 19.660 -3.734 -3.298 1.00 0.00 H new ATOM 0 HG22 THR A 74 19.464 -3.838 -5.064 1.00 0.00 H new ATOM 0 HG23 THR A 74 20.585 -4.938 -4.227 1.00 0.00 H new ATOM 630 N ASP A 75 24.000 -4.501 -5.120 1.00 0.00 N ATOM 631 CA ASP A 75 24.857 -5.682 -5.059 1.00 0.00 C ATOM 632 C ASP A 75 24.075 -6.910 -4.585 1.00 0.00 C ATOM 633 O ASP A 75 24.302 -8.013 -5.079 1.00 0.00 O ATOM 634 CB ASP A 75 26.038 -5.396 -4.124 1.00 0.00 C ATOM 635 CG ASP A 75 25.559 -4.936 -2.752 1.00 0.00 C ATOM 636 OD1 ASP A 75 25.193 -3.744 -2.650 1.00 0.00 O ATOM 637 OD2 ASP A 75 25.566 -5.784 -1.835 1.00 0.00 O ATOM 0 H ASP A 75 24.389 -3.685 -4.647 1.00 0.00 H new ATOM 0 HA ASP A 75 25.230 -5.902 -6.059 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.646 -6.294 -4.017 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.676 -4.630 -4.564 1.00 0.00 H new ATOM 642 N VAL A 76 23.158 -6.720 -3.630 1.00 0.00 N ATOM 643 CA VAL A 76 22.357 -7.814 -3.096 1.00 0.00 C ATOM 644 C VAL A 76 21.518 -8.451 -4.210 1.00 0.00 C ATOM 645 O VAL A 76 21.411 -9.675 -4.284 1.00 0.00 O ATOM 646 CB VAL A 76 21.455 -7.279 -1.972 1.00 0.00 C ATOM 647 CG1 VAL A 76 20.588 -8.414 -1.416 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.318 -6.704 -0.844 1.00 0.00 C ATOM 0 H VAL A 76 22.955 -5.812 -3.213 1.00 0.00 H new ATOM 0 HA VAL A 76 23.014 -8.582 -2.689 1.00 0.00 H new ATOM 0 HB VAL A 76 20.813 -6.496 -2.376 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.951 -8.029 -0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 76 19.966 -8.821 -2.213 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.229 -9.201 -1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.674 -6.326 -0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 76 22.965 -7.486 -0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 76 22.930 -5.890 -1.233 1.00 0.00 H new ATOM 658 N GLN A 77 20.922 -7.618 -5.071 1.00 0.00 N ATOM 659 CA GLN A 77 20.071 -8.094 -6.151 1.00 0.00 C ATOM 660 C GLN A 77 20.924 -8.704 -7.258 1.00 0.00 C ATOM 661 O GLN A 77 20.540 -9.714 -7.840 1.00 0.00 O ATOM 662 CB GLN A 77 19.218 -6.931 -6.682 1.00 0.00 C ATOM 663 CG GLN A 77 17.779 -7.056 -6.163 1.00 0.00 C ATOM 664 CD GLN A 77 17.741 -7.217 -4.644 1.00 0.00 C ATOM 665 OE1 GLN A 77 17.537 -8.320 -4.138 1.00 0.00 O ATOM 666 NE2 GLN A 77 17.934 -6.118 -3.917 1.00 0.00 N ATOM 0 H GLN A 77 21.019 -6.603 -5.034 1.00 0.00 H new ATOM 0 HA GLN A 77 19.403 -8.870 -5.778 1.00 0.00 H new ATOM 0 HB2 GLN A 77 19.647 -5.980 -6.365 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.222 -6.934 -7.772 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.210 -6.172 -6.450 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.295 -7.913 -6.632 1.00 0.00 H new ATOM 0 HE21 GLN A 77 18.100 -5.224 -4.379 1.00 0.00 H new ATOM 0 HE22 GLN A 77 17.916 -6.171 -2.899 1.00 0.00 H new ATOM 675 N CYS A 78 22.081 -8.100 -7.547 1.00 0.00 N ATOM 676 CA CYS A 78 22.983 -8.621 -8.564 1.00 0.00 C ATOM 677 C CYS A 78 23.425 -10.028 -8.166 1.00 0.00 C ATOM 678 O CYS A 78 23.355 -10.960 -8.970 1.00 0.00 O ATOM 679 CB CYS A 78 24.198 -7.700 -8.706 1.00 0.00 C ATOM 680 SG CYS A 78 23.650 -6.070 -9.266 1.00 0.00 S ATOM 0 H CYS A 78 22.410 -7.250 -7.088 1.00 0.00 H new ATOM 0 HA CYS A 78 22.469 -8.663 -9.524 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.717 -7.614 -7.751 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.908 -8.122 -9.418 1.00 0.00 H new ATOM 0 HG CYS A 78 23.048 -5.456 -8.291 1.00 0.00 H new ATOM 686 N GLN A 79 23.875 -10.171 -6.913 1.00 0.00 N ATOM 687 CA GLN A 79 24.322 -11.445 -6.382 1.00 0.00 C ATOM 688 C GLN A 79 23.184 -12.461 -6.439 1.00 0.00 C ATOM 689 O GLN A 79 23.348 -13.538 -7.005 1.00 0.00 O ATOM 690 CB GLN A 79 24.799 -11.241 -4.939 1.00 0.00 C ATOM 691 CG GLN A 79 25.365 -12.551 -4.381 1.00 0.00 C ATOM 692 CD GLN A 79 25.770 -12.393 -2.919 1.00 0.00 C ATOM 693 OE1 GLN A 79 25.302 -13.135 -2.060 1.00 0.00 O ATOM 694 NE2 GLN A 79 26.642 -11.425 -2.637 1.00 0.00 N ATOM 0 H GLN A 79 23.936 -9.401 -6.247 1.00 0.00 H new ATOM 0 HA GLN A 79 25.148 -11.830 -6.980 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.562 -10.463 -4.907 1.00 0.00 H new ATOM 0 HB3 GLN A 79 23.970 -10.900 -4.318 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.620 -13.341 -4.472 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.229 -12.858 -4.970 1.00 0.00 H new ATOM 0 HE21 GLN A 79 27.005 -10.832 -3.383 1.00 0.00 H new ATOM 0 HE22 GLN A 79 26.946 -11.277 -1.675 1.00 0.00 H new ATOM 703 N HIS A 80 22.033 -12.112 -5.845 1.00 0.00 N ATOM 704 CA HIS A 80 20.875 -12.994 -5.814 1.00 0.00 C ATOM 705 C HIS A 80 20.521 -13.468 -7.215 1.00 0.00 C ATOM 706 O HIS A 80 20.478 -14.666 -7.470 1.00 0.00 O ATOM 707 CB HIS A 80 19.680 -12.251 -5.210 1.00 0.00 C ATOM 708 CG HIS A 80 19.693 -12.214 -3.708 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.821 -11.417 -2.980 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.445 -12.870 -2.762 1.00 0.00 C ATOM 711 CE1 HIS A 80 19.087 -11.637 -1.680 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.069 -12.515 -1.477 1.00 0.00 N ATOM 0 H HIS A 80 21.887 -11.217 -5.379 1.00 0.00 H new ATOM 0 HA HIS A 80 21.118 -13.863 -5.203 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.668 -11.230 -5.590 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.759 -12.727 -5.546 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.231 -13.574 -2.992 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.555 -11.149 -0.877 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.451 -12.845 -0.591 1.00 0.00 H new ATOM 720 N ARG A 81 20.250 -12.525 -8.117 1.00 0.00 N ATOM 721 CA ARG A 81 19.840 -12.853 -9.466 1.00 0.00 C ATOM 722 C ARG A 81 20.820 -13.828 -10.105 1.00 0.00 C ATOM 723 O ARG A 81 20.407 -14.844 -10.646 1.00 0.00 O ATOM 724 CB ARG A 81 19.727 -11.571 -10.299 1.00 0.00 C ATOM 725 CG ARG A 81 19.262 -11.901 -11.729 1.00 0.00 C ATOM 726 CD ARG A 81 17.898 -12.602 -11.694 1.00 0.00 C ATOM 727 NE ARG A 81 17.282 -12.627 -13.026 1.00 0.00 N ATOM 728 CZ ARG A 81 16.093 -13.205 -13.273 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.398 -13.767 -12.275 1.00 0.00 N ATOM 730 NH2 ARG A 81 15.599 -13.217 -14.517 1.00 0.00 N ATOM 0 H ARG A 81 20.310 -11.524 -7.928 1.00 0.00 H new ATOM 0 HA ARG A 81 18.864 -13.337 -9.430 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.022 -10.885 -9.829 1.00 0.00 H new ATOM 0 HB3 ARG A 81 20.691 -11.064 -10.331 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.194 -10.986 -12.317 1.00 0.00 H new ATOM 0 HG3 ARG A 81 19.996 -12.541 -12.219 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.019 -13.621 -11.327 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.239 -12.087 -10.995 1.00 0.00 H new ATOM 0 HE ARG A 81 17.779 -12.186 -13.800 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.770 -13.757 -11.325 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.496 -14.205 -12.465 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.124 -12.788 -15.279 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.697 -13.656 -14.703 1.00 0.00 H new ATOM 744 N TRP A 82 22.116 -13.527 -10.062 1.00 0.00 N ATOM 745 CA TRP A 82 23.090 -14.377 -10.710 1.00 0.00 C ATOM 746 C TRP A 82 23.257 -15.714 -9.977 1.00 0.00 C ATOM 747 O TRP A 82 22.923 -16.762 -10.518 1.00 0.00 O ATOM 748 CB TRP A 82 24.436 -13.670 -10.824 1.00 0.00 C ATOM 749 CG TRP A 82 25.465 -14.521 -11.493 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.453 -15.187 -10.876 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.587 -14.870 -12.905 1.00 0.00 C ATOM 752 NE1 TRP A 82 27.176 -15.932 -11.772 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.681 -15.777 -13.051 1.00 0.00 C ATOM 754 CE3 TRP A 82 24.879 -14.530 -14.081 1.00 0.00 C ATOM 755 CZ2 TRP A 82 27.045 -16.319 -14.284 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.245 -15.078 -15.329 1.00 0.00 C ATOM 757 CH2 TRP A 82 26.323 -15.975 -15.426 1.00 0.00 C ATOM 0 H TRP A 82 22.504 -12.710 -9.590 1.00 0.00 H new ATOM 0 HA TRP A 82 22.716 -14.589 -11.712 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.312 -12.744 -11.385 1.00 0.00 H new ATOM 0 HB3 TRP A 82 24.785 -13.395 -9.829 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.652 -15.142 -9.815 1.00 0.00 H new ATOM 0 HE1 TRP A 82 27.972 -16.521 -11.526 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.048 -13.843 -14.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 27.880 -17.000 -14.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 24.693 -14.806 -16.216 1.00 0.00 H new ATOM 0 HH2 TRP A 82 26.591 -16.397 -16.383 1.00 0.00 H new ATOM 768 N GLN A 83 23.804 -15.673 -8.761 1.00 0.00 N ATOM 769 CA GLN A 83 24.139 -16.880 -8.010 1.00 0.00 C ATOM 770 C GLN A 83 22.919 -17.765 -7.737 1.00 0.00 C ATOM 771 O GLN A 83 23.046 -18.988 -7.725 1.00 0.00 O ATOM 772 CB GLN A 83 24.802 -16.482 -6.685 1.00 0.00 C ATOM 773 CG GLN A 83 26.110 -15.727 -6.957 1.00 0.00 C ATOM 774 CD GLN A 83 26.878 -15.468 -5.662 1.00 0.00 C ATOM 775 OE1 GLN A 83 26.333 -15.613 -4.571 1.00 0.00 O ATOM 776 NE2 GLN A 83 28.148 -15.083 -5.785 1.00 0.00 N ATOM 0 H GLN A 83 24.026 -14.806 -8.272 1.00 0.00 H new ATOM 0 HA GLN A 83 24.825 -17.467 -8.620 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.125 -15.855 -6.104 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.004 -17.372 -6.088 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.731 -16.305 -7.642 1.00 0.00 H new ATOM 0 HG3 GLN A 83 25.890 -14.779 -7.448 1.00 0.00 H new ATOM 0 HE21 GLN A 83 28.561 -14.975 -6.711 1.00 0.00 H new ATOM 0 HE22 GLN A 83 28.707 -14.896 -4.953 1.00 0.00 H new ATOM 785 N LYS A 84 21.749 -17.165 -7.492 1.00 0.00 N ATOM 786 CA LYS A 84 20.563 -17.928 -7.115 1.00 0.00 C ATOM 787 C LYS A 84 19.689 -18.305 -8.321 1.00 0.00 C ATOM 788 O LYS A 84 18.688 -18.997 -8.135 1.00 0.00 O ATOM 789 CB LYS A 84 19.746 -17.110 -6.101 1.00 0.00 C ATOM 790 CG LYS A 84 19.126 -18.038 -5.051 1.00 0.00 C ATOM 791 CD LYS A 84 20.151 -18.321 -3.945 1.00 0.00 C ATOM 792 CE LYS A 84 19.646 -19.444 -3.032 1.00 0.00 C ATOM 793 NZ LYS A 84 18.396 -19.062 -2.351 1.00 0.00 N ATOM 0 H LYS A 84 21.602 -16.157 -7.549 1.00 0.00 H new ATOM 0 HA LYS A 84 20.896 -18.866 -6.670 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.387 -16.375 -5.614 1.00 0.00 H new ATOM 0 HB3 LYS A 84 18.961 -16.557 -6.617 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.234 -17.578 -4.625 1.00 0.00 H new ATOM 0 HG3 LYS A 84 18.811 -18.972 -5.517 1.00 0.00 H new ATOM 0 HD2 LYS A 84 21.106 -18.604 -4.388 1.00 0.00 H new ATOM 0 HD3 LYS A 84 20.325 -17.418 -3.361 1.00 0.00 H new ATOM 0 HE2 LYS A 84 19.480 -20.347 -3.620 1.00 0.00 H new ATOM 0 HE3 LYS A 84 20.408 -19.682 -2.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 18.153 -19.783 -1.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 18.523 -18.143 -1.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 17.628 -18.990 -3.049 1.00 0.00 H new ATOM 807 N VAL A 85 20.037 -17.865 -9.547 1.00 0.00 N ATOM 808 CA VAL A 85 19.216 -18.180 -10.722 1.00 0.00 C ATOM 809 C VAL A 85 20.089 -18.566 -11.926 1.00 0.00 C ATOM 810 O VAL A 85 19.904 -19.641 -12.494 1.00 0.00 O ATOM 811 CB VAL A 85 18.298 -16.987 -11.068 1.00 0.00 C ATOM 812 CG1 VAL A 85 17.142 -17.473 -11.946 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.723 -16.354 -9.788 1.00 0.00 C ATOM 0 H VAL A 85 20.865 -17.302 -9.743 1.00 0.00 H new ATOM 0 HA VAL A 85 18.592 -19.041 -10.480 1.00 0.00 H new ATOM 0 HB VAL A 85 18.887 -16.239 -11.599 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.493 -16.632 -12.191 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.539 -17.905 -12.865 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.569 -18.229 -11.408 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.079 -15.516 -10.054 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.143 -17.098 -9.243 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.540 -15.999 -9.159 1.00 0.00 H new ATOM 823 N LEU A 86 21.030 -17.696 -12.326 1.00 0.00 N ATOM 824 CA LEU A 86 21.882 -17.966 -13.487 1.00 0.00 C ATOM 825 C LEU A 86 22.946 -19.008 -13.143 1.00 0.00 C ATOM 826 O LEU A 86 23.070 -19.441 -11.999 1.00 0.00 O ATOM 827 CB LEU A 86 22.583 -16.674 -13.955 1.00 0.00 C ATOM 828 CG LEU A 86 21.671 -15.784 -14.823 1.00 0.00 C ATOM 829 CD1 LEU A 86 21.099 -16.581 -15.999 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.541 -15.199 -13.981 1.00 0.00 C ATOM 0 H LEU A 86 21.217 -16.806 -11.864 1.00 0.00 H new ATOM 0 HA LEU A 86 21.245 -18.346 -14.286 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.913 -16.108 -13.084 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.476 -16.935 -14.523 1.00 0.00 H new ATOM 0 HG LEU A 86 22.270 -14.965 -15.221 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.458 -15.935 -16.599 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.916 -16.956 -16.616 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.515 -17.420 -15.620 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.906 -14.573 -14.608 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.947 -16.008 -13.557 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.962 -14.597 -13.176 1.00 0.00 H new