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= 0.677 K(o=1.5,f=-0.72) USER MOD Set 1.2: A 84 LYS NZ :NH3+ -148:sc= 0.867 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0286 USER MOD Single : A 50 LYS NZ :NH3+ 171:sc= 1.27 (180deg=1.18) USER MOD Single : A 52 LYS NZ :NH3+ 137:sc= 1.23 (180deg=0.495) USER MOD Single : A 53 LYS NZ :NH3+ -119:sc= -0.222 (180deg=-1.27) USER MOD Single : A 57 GLN : amide:sc= 0.312 X(o=0.31,f=-0.085) USER MOD Single : A 58 ASN : amide:sc= 0.885 K(o=0.88,f=0) USER MOD Single : A 60 THR OG1 : rot 62:sc= 0.16 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.36 K(o=-0.36,f=-1.3) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.12) USER MOD Single : A 74 THR OG1 : rot -75:sc= 0.688 USER MOD Single : A 77 GLN : amide:sc= -0.382 K(o=-0.38,f=-1.9!) USER MOD Single : A 78 CYS SG : rot 73:sc= 0.267 USER MOD Single : A 79 GLN : amide:sc= -0.0118 K(o=-0.012,f=-0.94) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.528 -8.750 -13.521 1.00 0.00 N ATOM 90 CA TRP A 43 14.553 -8.645 -14.558 1.00 0.00 C ATOM 91 C TRP A 43 13.967 -8.845 -15.961 1.00 0.00 C ATOM 92 O TRP A 43 12.778 -9.118 -16.123 1.00 0.00 O ATOM 93 CB TRP A 43 15.677 -9.652 -14.271 1.00 0.00 C ATOM 94 CG TRP A 43 16.456 -9.335 -13.041 1.00 0.00 C ATOM 95 CD1 TRP A 43 16.023 -9.475 -11.780 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.794 -8.785 -12.934 1.00 0.00 C ATOM 97 NE1 TRP A 43 16.968 -9.045 -10.886 1.00 0.00 N ATOM 98 CE2 TRP A 43 18.103 -8.600 -11.550 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.778 -8.414 -13.868 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.330 -8.068 -11.124 1.00 0.00 C ATOM 101 CZ3 TRP A 43 20.004 -7.867 -13.454 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.283 -7.696 -12.085 1.00 0.00 C ATOM 0 HA TRP A 43 14.966 -7.637 -14.536 1.00 0.00 H new ATOM 0 HB2 TRP A 43 15.246 -10.648 -14.172 1.00 0.00 H new ATOM 0 HB3 TRP A 43 16.355 -9.681 -15.124 1.00 0.00 H new ATOM 0 HD1 TRP A 43 15.058 -9.874 -11.505 1.00 0.00 H new ATOM 0 HE1 TRP A 43 16.853 -9.051 -9.872 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.588 -8.552 -14.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.538 -7.947 -10.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.737 -7.576 -14.191 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.230 -7.279 -11.774 1.00 0.00 H new ATOM 113 N THR A 44 14.829 -8.695 -16.974 1.00 0.00 N ATOM 114 CA THR A 44 14.451 -8.847 -18.369 1.00 0.00 C ATOM 115 C THR A 44 15.707 -9.173 -19.177 1.00 0.00 C ATOM 116 O THR A 44 16.816 -9.039 -18.662 1.00 0.00 O ATOM 117 CB THR A 44 13.775 -7.559 -18.868 1.00 0.00 C ATOM 118 OG1 THR A 44 13.322 -7.746 -20.193 1.00 0.00 O ATOM 119 CG2 THR A 44 14.765 -6.389 -18.831 1.00 0.00 C ATOM 0 H THR A 44 15.813 -8.463 -16.839 1.00 0.00 H new ATOM 0 HA THR A 44 13.735 -9.660 -18.488 1.00 0.00 H new ATOM 0 HB THR A 44 12.931 -7.331 -18.217 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.890 -6.925 -20.510 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.272 -5.484 -19.187 1.00 0.00 H new ATOM 0 HG22 THR A 44 15.110 -6.236 -17.808 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.618 -6.614 -19.471 1.00 0.00 H new ATOM 127 N ARG A 45 15.531 -9.606 -20.434 1.00 0.00 N ATOM 128 CA ARG A 45 16.646 -9.995 -21.296 1.00 0.00 C ATOM 129 C ARG A 45 17.731 -8.914 -21.322 1.00 0.00 C ATOM 130 O ARG A 45 18.917 -9.227 -21.254 1.00 0.00 O ATOM 131 CB ARG A 45 16.128 -10.253 -22.717 1.00 0.00 C ATOM 132 CG ARG A 45 17.129 -11.138 -23.482 1.00 0.00 C ATOM 133 CD ARG A 45 17.402 -10.570 -24.883 1.00 0.00 C ATOM 134 NE ARG A 45 18.651 -9.782 -24.902 1.00 0.00 N ATOM 135 CZ ARG A 45 18.703 -8.436 -24.839 1.00 0.00 C ATOM 136 NH1 ARG A 45 17.586 -7.699 -24.789 1.00 0.00 N ATOM 137 NH2 ARG A 45 19.891 -7.827 -24.827 1.00 0.00 N ATOM 0 H ARG A 45 14.616 -9.694 -20.875 1.00 0.00 H new ATOM 0 HA ARG A 45 17.090 -10.906 -20.895 1.00 0.00 H new ATOM 0 HB2 ARG A 45 15.154 -10.741 -22.676 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.989 -9.307 -23.241 1.00 0.00 H new ATOM 0 HG2 ARG A 45 18.063 -11.204 -22.924 1.00 0.00 H new ATOM 0 HG3 ARG A 45 16.735 -12.151 -23.566 1.00 0.00 H new ATOM 0 HD2 ARG A 45 17.472 -11.386 -25.602 1.00 0.00 H new ATOM 0 HD3 ARG A 45 16.567 -9.942 -25.193 1.00 0.00 H new ATOM 0 HE ARG A 45 19.533 -10.290 -24.967 1.00 0.00 H new ATOM 0 HH11 ARG A 45 16.673 -8.155 -24.798 1.00 0.00 H new ATOM 0 HH12 ARG A 45 17.648 -6.682 -24.742 1.00 0.00 H new ATOM 0 HH21 ARG A 45 20.748 -8.379 -24.865 1.00 0.00 H new ATOM 0 HH22 ARG A 45 19.942 -6.809 -24.780 1.00 0.00 H new ATOM 151 N GLU A 46 17.321 -7.645 -21.432 1.00 0.00 N ATOM 152 CA GLU A 46 18.259 -6.534 -21.514 1.00 0.00 C ATOM 153 C GLU A 46 19.202 -6.534 -20.309 1.00 0.00 C ATOM 154 O GLU A 46 20.418 -6.641 -20.476 1.00 0.00 O ATOM 155 CB GLU A 46 17.480 -5.212 -21.609 1.00 0.00 C ATOM 156 CG GLU A 46 18.247 -4.221 -22.490 1.00 0.00 C ATOM 157 CD GLU A 46 18.144 -4.611 -23.959 1.00 0.00 C ATOM 158 OE1 GLU A 46 17.111 -4.266 -24.567 1.00 0.00 O ATOM 159 OE2 GLU A 46 19.098 -5.258 -24.448 1.00 0.00 O ATOM 0 H GLU A 46 16.340 -7.368 -21.466 1.00 0.00 H new ATOM 0 HA GLU A 46 18.871 -6.645 -22.409 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.489 -5.392 -22.026 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.336 -4.792 -20.614 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.849 -3.217 -22.347 1.00 0.00 H new ATOM 0 HG3 GLU A 46 19.294 -4.195 -22.189 1.00 0.00 H new ATOM 166 N GLU A 47 18.646 -6.411 -19.095 1.00 0.00 N ATOM 167 CA GLU A 47 19.455 -6.380 -17.884 1.00 0.00 C ATOM 168 C GLU A 47 20.198 -7.706 -17.714 1.00 0.00 C ATOM 169 O GLU A 47 21.300 -7.730 -17.170 1.00 0.00 O ATOM 170 CB GLU A 47 18.572 -6.092 -16.668 1.00 0.00 C ATOM 171 CG GLU A 47 19.386 -5.334 -15.614 1.00 0.00 C ATOM 172 CD GLU A 47 19.415 -3.838 -15.921 1.00 0.00 C ATOM 173 OE1 GLU A 47 18.325 -3.221 -15.845 1.00 0.00 O ATOM 174 OE2 GLU A 47 20.520 -3.340 -16.224 1.00 0.00 O ATOM 0 H GLU A 47 17.642 -6.332 -18.934 1.00 0.00 H new ATOM 0 HA GLU A 47 20.192 -5.582 -17.969 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.705 -5.503 -16.966 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.195 -7.025 -16.250 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.954 -5.499 -14.627 1.00 0.00 H new ATOM 0 HG3 GLU A 47 20.404 -5.723 -15.585 1.00 0.00 H new ATOM 181 N ASP A 48 19.596 -8.811 -18.185 1.00 0.00 N ATOM 182 CA ASP A 48 20.220 -10.122 -18.098 1.00 0.00 C ATOM 183 C ASP A 48 21.584 -10.082 -18.759 1.00 0.00 C ATOM 184 O ASP A 48 22.577 -10.416 -18.134 1.00 0.00 O ATOM 185 CB ASP A 48 19.338 -11.181 -18.778 1.00 0.00 C ATOM 186 CG ASP A 48 18.936 -12.272 -17.801 1.00 0.00 C ATOM 187 OD1 ASP A 48 19.831 -12.735 -17.062 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.738 -12.623 -17.804 1.00 0.00 O ATOM 0 H ASP A 48 18.677 -8.812 -18.628 1.00 0.00 H new ATOM 0 HA ASP A 48 20.336 -10.389 -17.048 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.445 -10.707 -19.185 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.876 -11.621 -19.617 1.00 0.00 H new ATOM 193 N GLU A 49 21.629 -9.670 -20.028 1.00 0.00 N ATOM 194 CA GLU A 49 22.878 -9.597 -20.766 1.00 0.00 C ATOM 195 C GLU A 49 23.806 -8.557 -20.134 1.00 0.00 C ATOM 196 O GLU A 49 25.024 -8.738 -20.126 1.00 0.00 O ATOM 197 CB GLU A 49 22.589 -9.265 -22.228 1.00 0.00 C ATOM 198 CG GLU A 49 21.726 -10.375 -22.839 1.00 0.00 C ATOM 199 CD GLU A 49 22.119 -10.638 -24.283 1.00 0.00 C ATOM 200 OE1 GLU A 49 23.074 -11.426 -24.475 1.00 0.00 O ATOM 201 OE2 GLU A 49 21.459 -10.047 -25.165 1.00 0.00 O ATOM 0 H GLU A 49 20.809 -9.382 -20.561 1.00 0.00 H new ATOM 0 HA GLU A 49 23.383 -10.562 -20.724 1.00 0.00 H new ATOM 0 HB2 GLU A 49 22.074 -8.307 -22.300 1.00 0.00 H new ATOM 0 HB3 GLU A 49 23.523 -9.168 -22.782 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.837 -11.289 -22.256 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.675 -10.091 -22.790 1.00 0.00 H new ATOM 208 N LYS A 50 23.227 -7.473 -19.602 1.00 0.00 N ATOM 209 CA LYS A 50 23.996 -6.410 -18.965 1.00 0.00 C ATOM 210 C LYS A 50 24.777 -6.966 -17.764 1.00 0.00 C ATOM 211 O LYS A 50 25.942 -6.629 -17.578 1.00 0.00 O ATOM 212 CB LYS A 50 23.035 -5.290 -18.533 1.00 0.00 C ATOM 213 CG LYS A 50 23.571 -3.920 -18.967 1.00 0.00 C ATOM 214 CD LYS A 50 24.788 -3.532 -18.122 1.00 0.00 C ATOM 215 CE LYS A 50 25.174 -2.082 -18.422 1.00 0.00 C ATOM 216 NZ LYS A 50 26.173 -1.592 -17.458 1.00 0.00 N ATOM 0 H LYS A 50 22.220 -7.314 -19.603 1.00 0.00 H new ATOM 0 HA LYS A 50 24.721 -6.002 -19.669 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.052 -5.458 -18.973 1.00 0.00 H new ATOM 0 HB3 LYS A 50 22.908 -5.310 -17.451 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.846 -3.947 -20.021 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.791 -3.166 -18.860 1.00 0.00 H new ATOM 0 HD2 LYS A 50 24.560 -3.647 -17.062 1.00 0.00 H new ATOM 0 HD3 LYS A 50 25.624 -4.196 -18.343 1.00 0.00 H new ATOM 0 HE2 LYS A 50 25.574 -2.010 -19.434 1.00 0.00 H new ATOM 0 HE3 LYS A 50 24.286 -1.450 -18.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 26.531 -0.666 -17.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 25.733 -1.496 -16.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 26.962 -2.267 -17.402 1.00 0.00 H new ATOM 230 N LEU A 51 24.135 -7.819 -16.954 1.00 0.00 N ATOM 231 CA LEU A 51 24.781 -8.424 -15.792 1.00 0.00 C ATOM 232 C LEU A 51 25.686 -9.570 -16.250 1.00 0.00 C ATOM 233 O LEU A 51 26.833 -9.673 -15.822 1.00 0.00 O ATOM 234 CB LEU A 51 23.694 -8.927 -14.824 1.00 0.00 C ATOM 235 CG LEU A 51 24.309 -9.763 -13.684 1.00 0.00 C ATOM 236 CD1 LEU A 51 25.257 -8.906 -12.844 1.00 0.00 C ATOM 237 CD2 LEU A 51 23.192 -10.290 -12.783 1.00 0.00 C ATOM 0 H LEU A 51 23.165 -8.104 -17.087 1.00 0.00 H new ATOM 0 HA LEU A 51 25.399 -7.690 -15.275 1.00 0.00 H new ATOM 0 HB2 LEU A 51 23.154 -8.078 -14.406 1.00 0.00 H new ATOM 0 HB3 LEU A 51 22.967 -9.529 -15.369 1.00 0.00 H new ATOM 0 HG LEU A 51 24.866 -10.592 -14.120 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.682 -9.512 -12.044 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.059 -8.525 -13.476 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.706 -8.070 -12.413 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.624 -10.882 -11.976 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.638 -9.451 -12.362 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.516 -10.914 -13.368 1.00 0.00 H new ATOM 249 N LYS A 52 25.149 -10.426 -17.121 1.00 0.00 N ATOM 250 CA LYS A 52 25.854 -11.583 -17.653 1.00 0.00 C ATOM 251 C LYS A 52 27.257 -11.204 -18.128 1.00 0.00 C ATOM 252 O LYS A 52 28.231 -11.814 -17.703 1.00 0.00 O ATOM 253 CB LYS A 52 25.025 -12.153 -18.810 1.00 0.00 C ATOM 254 CG LYS A 52 25.690 -13.402 -19.402 1.00 0.00 C ATOM 255 CD LYS A 52 24.848 -13.929 -20.576 1.00 0.00 C ATOM 256 CE LYS A 52 25.068 -13.059 -21.825 1.00 0.00 C ATOM 257 NZ LYS A 52 24.053 -13.348 -22.857 1.00 0.00 N ATOM 0 H LYS A 52 24.199 -10.330 -17.479 1.00 0.00 H new ATOM 0 HA LYS A 52 25.974 -12.333 -16.871 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.025 -12.403 -18.456 1.00 0.00 H new ATOM 0 HB3 LYS A 52 24.909 -11.396 -19.586 1.00 0.00 H new ATOM 0 HG2 LYS A 52 26.697 -13.163 -19.743 1.00 0.00 H new ATOM 0 HG3 LYS A 52 25.787 -14.172 -18.637 1.00 0.00 H new ATOM 0 HD2 LYS A 52 25.120 -14.962 -20.792 1.00 0.00 H new ATOM 0 HD3 LYS A 52 23.792 -13.927 -20.305 1.00 0.00 H new ATOM 0 HE2 LYS A 52 25.023 -12.005 -21.551 1.00 0.00 H new ATOM 0 HE3 LYS A 52 26.064 -13.241 -22.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 23.716 -12.456 -23.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 24.474 -13.940 -23.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 23.253 -13.852 -22.425 1.00 0.00 H new ATOM 271 N LYS A 53 27.359 -10.206 -19.017 1.00 0.00 N ATOM 272 CA LYS A 53 28.647 -9.807 -19.577 1.00 0.00 C ATOM 273 C LYS A 53 29.592 -9.283 -18.487 1.00 0.00 C ATOM 274 O LYS A 53 30.797 -9.502 -18.569 1.00 0.00 O ATOM 275 CB LYS A 53 28.436 -8.764 -20.685 1.00 0.00 C ATOM 276 CG LYS A 53 27.974 -7.430 -20.091 1.00 0.00 C ATOM 277 CD LYS A 53 27.394 -6.529 -21.192 1.00 0.00 C ATOM 278 CE LYS A 53 28.470 -6.194 -22.235 1.00 0.00 C ATOM 279 NZ LYS A 53 28.475 -7.175 -23.339 1.00 0.00 N ATOM 0 H LYS A 53 26.565 -9.665 -19.359 1.00 0.00 H new ATOM 0 HA LYS A 53 29.122 -10.685 -20.015 1.00 0.00 H new ATOM 0 HB2 LYS A 53 29.365 -8.620 -21.237 1.00 0.00 H new ATOM 0 HB3 LYS A 53 27.695 -9.127 -21.397 1.00 0.00 H new ATOM 0 HG2 LYS A 53 27.221 -7.607 -19.323 1.00 0.00 H new ATOM 0 HG3 LYS A 53 28.813 -6.930 -19.606 1.00 0.00 H new ATOM 0 HD2 LYS A 53 26.554 -7.029 -21.675 1.00 0.00 H new ATOM 0 HD3 LYS A 53 27.007 -5.610 -20.752 1.00 0.00 H new ATOM 0 HE2 LYS A 53 28.293 -5.195 -22.635 1.00 0.00 H new ATOM 0 HE3 LYS A 53 29.449 -6.177 -21.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 29.399 -7.651 -23.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 27.728 -7.881 -23.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 28.301 -6.685 -24.240 1.00 0.00 H new ATOM 293 N LEU A 54 29.058 -8.590 -17.469 1.00 0.00 N ATOM 294 CA LEU A 54 29.888 -8.049 -16.397 1.00 0.00 C ATOM 295 C LEU A 54 30.491 -9.191 -15.581 1.00 0.00 C ATOM 296 O LEU A 54 31.688 -9.187 -15.302 1.00 0.00 O ATOM 297 CB LEU A 54 29.055 -7.124 -15.497 1.00 0.00 C ATOM 298 CG LEU A 54 28.743 -5.804 -16.221 1.00 0.00 C ATOM 299 CD1 LEU A 54 27.682 -5.033 -15.430 1.00 0.00 C ATOM 300 CD2 LEU A 54 30.010 -4.946 -16.330 1.00 0.00 C ATOM 0 H LEU A 54 28.061 -8.395 -17.371 1.00 0.00 H new ATOM 0 HA LEU A 54 30.698 -7.465 -16.833 1.00 0.00 H new ATOM 0 HB2 LEU A 54 28.126 -7.620 -15.217 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.598 -6.920 -14.574 1.00 0.00 H new ATOM 0 HG LEU A 54 28.376 -6.027 -17.223 1.00 0.00 H new ATOM 0 HD11 LEU A 54 27.458 -4.096 -15.940 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.775 -5.633 -15.357 1.00 0.00 H new ATOM 0 HD13 LEU A 54 28.057 -4.821 -14.429 1.00 0.00 H new ATOM 0 HD21 LEU A 54 29.775 -4.014 -16.845 1.00 0.00 H new ATOM 0 HD22 LEU A 54 30.386 -4.724 -15.331 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.770 -5.489 -16.892 1.00 0.00 H new ATOM 312 N VAL A 55 29.662 -10.170 -15.199 1.00 0.00 N ATOM 313 CA VAL A 55 30.125 -11.315 -14.424 1.00 0.00 C ATOM 314 C VAL A 55 31.084 -12.154 -15.272 1.00 0.00 C ATOM 315 O VAL A 55 32.120 -12.592 -14.786 1.00 0.00 O ATOM 316 CB VAL A 55 28.916 -12.149 -13.970 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.397 -13.417 -13.255 1.00 0.00 C ATOM 318 CG2 VAL A 55 28.055 -11.327 -13.006 1.00 0.00 C ATOM 0 H VAL A 55 28.666 -10.187 -15.417 1.00 0.00 H new ATOM 0 HA VAL A 55 30.660 -10.973 -13.538 1.00 0.00 H new ATOM 0 HB VAL A 55 28.328 -12.425 -14.845 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.536 -14.004 -12.936 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.007 -14.010 -13.936 1.00 0.00 H new ATOM 0 HG13 VAL A 55 29.991 -13.140 -12.384 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.199 -11.921 -12.686 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.649 -11.048 -12.136 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.704 -10.426 -13.510 1.00 0.00 H new ATOM 328 N GLU A 56 30.731 -12.371 -16.541 1.00 0.00 N ATOM 329 CA GLU A 56 31.551 -13.148 -17.457 1.00 0.00 C ATOM 330 C GLU A 56 32.930 -12.496 -17.609 1.00 0.00 C ATOM 331 O GLU A 56 33.947 -13.187 -17.607 1.00 0.00 O ATOM 332 CB GLU A 56 30.829 -13.233 -18.807 1.00 0.00 C ATOM 333 CG GLU A 56 31.578 -14.171 -19.756 1.00 0.00 C ATOM 334 CD GLU A 56 30.782 -14.378 -21.040 1.00 0.00 C ATOM 335 OE1 GLU A 56 30.565 -13.366 -21.743 1.00 0.00 O ATOM 336 OE2 GLU A 56 30.404 -15.542 -21.292 1.00 0.00 O ATOM 0 H GLU A 56 29.871 -12.012 -16.956 1.00 0.00 H new ATOM 0 HA GLU A 56 31.701 -14.155 -17.067 1.00 0.00 H new ATOM 0 HB2 GLU A 56 29.811 -13.592 -18.660 1.00 0.00 H new ATOM 0 HB3 GLU A 56 30.756 -12.240 -19.250 1.00 0.00 H new ATOM 0 HG2 GLU A 56 32.557 -13.754 -19.991 1.00 0.00 H new ATOM 0 HG3 GLU A 56 31.749 -15.131 -19.268 1.00 0.00 H new ATOM 343 N GLN A 57 32.956 -11.164 -17.743 1.00 0.00 N ATOM 344 CA GLN A 57 34.198 -10.424 -17.908 1.00 0.00 C ATOM 345 C GLN A 57 35.024 -10.468 -16.623 1.00 0.00 C ATOM 346 O GLN A 57 36.190 -10.858 -16.649 1.00 0.00 O ATOM 347 CB GLN A 57 33.866 -8.970 -18.286 1.00 0.00 C ATOM 348 CG GLN A 57 35.148 -8.128 -18.391 1.00 0.00 C ATOM 349 CD GLN A 57 36.076 -8.657 -19.482 1.00 0.00 C ATOM 350 OE1 GLN A 57 35.980 -8.242 -20.633 1.00 0.00 O ATOM 351 NE2 GLN A 57 36.977 -9.571 -19.118 1.00 0.00 N ATOM 0 H GLN A 57 32.120 -10.580 -17.739 1.00 0.00 H new ATOM 0 HA GLN A 57 34.790 -10.880 -18.701 1.00 0.00 H new ATOM 0 HB2 GLN A 57 33.333 -8.949 -19.236 1.00 0.00 H new ATOM 0 HB3 GLN A 57 33.201 -8.538 -17.538 1.00 0.00 H new ATOM 0 HG2 GLN A 57 34.887 -7.091 -18.604 1.00 0.00 H new ATOM 0 HG3 GLN A 57 35.669 -8.135 -17.434 1.00 0.00 H new ATOM 0 HE21 GLN A 57 37.020 -9.887 -18.149 1.00 0.00 H new ATOM 0 HE22 GLN A 57 37.623 -9.954 -19.809 1.00 0.00 H new ATOM 360 N ASN A 58 34.420 -10.047 -15.507 1.00 0.00 N ATOM 361 CA ASN A 58 35.111 -9.974 -14.227 1.00 0.00 C ATOM 362 C ASN A 58 34.958 -11.289 -13.460 1.00 0.00 C ATOM 363 O ASN A 58 35.866 -12.118 -13.466 1.00 0.00 O ATOM 364 CB ASN A 58 34.555 -8.789 -13.422 1.00 0.00 C ATOM 365 CG ASN A 58 34.706 -7.484 -14.199 1.00 0.00 C ATOM 366 OD1 ASN A 58 35.705 -6.786 -14.056 1.00 0.00 O ATOM 367 ND2 ASN A 58 33.709 -7.158 -15.024 1.00 0.00 N ATOM 0 H ASN A 58 33.445 -9.750 -15.471 1.00 0.00 H new ATOM 0 HA ASN A 58 36.177 -9.816 -14.394 1.00 0.00 H new ATOM 0 HB2 ASN A 58 33.503 -8.961 -13.193 1.00 0.00 H new ATOM 0 HB3 ASN A 58 35.080 -8.713 -12.470 1.00 0.00 H new ATOM 0 HD21 ASN A 58 33.758 -6.297 -15.568 1.00 0.00 H new ATOM 0 HD22 ASN A 58 32.898 -7.770 -15.110 1.00 0.00 H new ATOM 374 N GLY A 59 33.812 -11.468 -12.794 1.00 0.00 N ATOM 375 CA GLY A 59 33.545 -12.655 -11.999 1.00 0.00 C ATOM 376 C GLY A 59 32.634 -12.286 -10.834 1.00 0.00 C ATOM 377 O GLY A 59 32.147 -11.157 -10.759 1.00 0.00 O ATOM 0 H GLY A 59 33.049 -10.791 -12.796 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.074 -13.421 -12.615 1.00 0.00 H new ATOM 0 HA3 GLY A 59 34.479 -13.075 -11.626 1.00 0.00 H new ATOM 381 N THR A 60 32.407 -13.234 -9.920 1.00 0.00 N ATOM 382 CA THR A 60 31.569 -12.998 -8.754 1.00 0.00 C ATOM 383 C THR A 60 32.405 -12.333 -7.656 1.00 0.00 C ATOM 384 O THR A 60 32.498 -12.850 -6.543 1.00 0.00 O ATOM 385 CB THR A 60 30.983 -14.334 -8.277 1.00 0.00 C ATOM 386 OG1 THR A 60 32.031 -15.232 -7.979 1.00 0.00 O ATOM 387 CG2 THR A 60 30.099 -14.933 -9.375 1.00 0.00 C ATOM 0 H THR A 60 32.797 -14.175 -9.971 1.00 0.00 H new ATOM 0 HA THR A 60 30.745 -12.331 -9.006 1.00 0.00 H new ATOM 0 HB THR A 60 30.384 -14.162 -7.383 1.00 0.00 H new ATOM 0 HG1 THR A 60 32.576 -14.869 -7.250 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.685 -15.881 -9.032 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.286 -14.244 -9.604 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.696 -15.101 -10.272 1.00 0.00 H new ATOM 395 N ASP A 61 33.017 -11.186 -7.986 1.00 0.00 N ATOM 396 CA ASP A 61 33.856 -10.446 -7.057 1.00 0.00 C ATOM 397 C ASP A 61 32.993 -9.434 -6.290 1.00 0.00 C ATOM 398 O ASP A 61 31.890 -9.772 -5.856 1.00 0.00 O ATOM 399 CB ASP A 61 34.978 -9.765 -7.857 1.00 0.00 C ATOM 400 CG ASP A 61 36.125 -9.339 -6.949 1.00 0.00 C ATOM 401 OD1 ASP A 61 36.881 -10.240 -6.528 1.00 0.00 O ATOM 402 OD2 ASP A 61 36.222 -8.120 -6.695 1.00 0.00 O ATOM 0 H ASP A 61 32.939 -10.753 -8.906 1.00 0.00 H new ATOM 0 HA ASP A 61 34.312 -11.108 -6.321 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.350 -10.449 -8.620 1.00 0.00 H new ATOM 0 HB3 ASP A 61 34.580 -8.894 -8.377 1.00 0.00 H new ATOM 407 N ASP A 62 33.483 -8.195 -6.125 1.00 0.00 N ATOM 408 CA ASP A 62 32.738 -7.154 -5.431 1.00 0.00 C ATOM 409 C ASP A 62 31.454 -6.842 -6.193 1.00 0.00 C ATOM 410 O ASP A 62 31.484 -6.202 -7.247 1.00 0.00 O ATOM 411 CB ASP A 62 33.605 -5.893 -5.276 1.00 0.00 C ATOM 412 CG ASP A 62 33.762 -5.514 -3.808 1.00 0.00 C ATOM 413 OD1 ASP A 62 32.855 -4.810 -3.306 1.00 0.00 O ATOM 414 OD2 ASP A 62 34.779 -5.929 -3.216 1.00 0.00 O ATOM 0 H ASP A 62 34.397 -7.897 -6.467 1.00 0.00 H new ATOM 0 HA ASP A 62 32.472 -7.506 -4.434 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.587 -6.066 -5.717 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.151 -5.066 -5.822 1.00 0.00 H new ATOM 419 N TRP A 63 30.321 -7.292 -5.650 1.00 0.00 N ATOM 420 CA TRP A 63 29.026 -7.055 -6.258 1.00 0.00 C ATOM 421 C TRP A 63 28.690 -5.565 -6.223 1.00 0.00 C ATOM 422 O TRP A 63 27.828 -5.114 -6.967 1.00 0.00 O ATOM 423 CB TRP A 63 27.971 -7.884 -5.529 1.00 0.00 C ATOM 424 CG TRP A 63 28.013 -9.338 -5.866 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.306 -10.338 -5.017 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.771 -9.979 -7.151 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.264 -11.554 -5.659 1.00 0.00 N ATOM 428 CE2 TRP A 63 27.941 -11.390 -6.994 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.428 -9.516 -8.443 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.781 -12.284 -8.055 1.00 0.00 C ATOM 431 CZ3 TRP A 63 27.265 -10.415 -9.512 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.442 -11.796 -9.320 1.00 0.00 C ATOM 0 H TRP A 63 30.283 -7.827 -4.782 1.00 0.00 H new ATOM 0 HA TRP A 63 29.046 -7.361 -7.304 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.107 -7.765 -4.454 1.00 0.00 H new ATOM 0 HB3 TRP A 63 26.983 -7.492 -5.771 1.00 0.00 H new ATOM 0 HD1 TRP A 63 28.543 -10.205 -3.972 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.446 -12.453 -5.212 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.289 -8.458 -8.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 27.918 -13.344 -7.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 27.001 -10.041 -10.490 1.00 0.00 H new ATOM 0 HH2 TRP A 63 27.316 -12.478 -10.148 1.00 0.00 H new ATOM 443 N LYS A 64 29.380 -4.803 -5.367 1.00 0.00 N ATOM 444 CA LYS A 64 29.183 -3.368 -5.272 1.00 0.00 C ATOM 445 C LYS A 64 29.532 -2.717 -6.613 1.00 0.00 C ATOM 446 O LYS A 64 28.735 -1.961 -7.166 1.00 0.00 O ATOM 447 CB LYS A 64 30.080 -2.831 -4.151 1.00 0.00 C ATOM 448 CG LYS A 64 29.758 -1.360 -3.867 1.00 0.00 C ATOM 449 CD LYS A 64 30.912 -0.719 -3.084 1.00 0.00 C ATOM 450 CE LYS A 64 31.175 -1.504 -1.793 1.00 0.00 C ATOM 451 NZ LYS A 64 32.205 -0.842 -0.972 1.00 0.00 N ATOM 0 H LYS A 64 30.085 -5.169 -4.727 1.00 0.00 H new ATOM 0 HA LYS A 64 28.143 -3.135 -5.042 1.00 0.00 H new ATOM 0 HB2 LYS A 64 29.936 -3.422 -3.247 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.128 -2.932 -4.435 1.00 0.00 H new ATOM 0 HG2 LYS A 64 29.600 -0.825 -4.803 1.00 0.00 H new ATOM 0 HG3 LYS A 64 28.832 -1.284 -3.296 1.00 0.00 H new ATOM 0 HD2 LYS A 64 31.813 -0.702 -3.698 1.00 0.00 H new ATOM 0 HD3 LYS A 64 30.669 0.316 -2.846 1.00 0.00 H new ATOM 0 HE2 LYS A 64 30.251 -1.592 -1.222 1.00 0.00 H new ATOM 0 HE3 LYS A 64 31.496 -2.517 -2.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 32.364 -1.393 -0.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 33.092 -0.781 -1.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 31.886 0.115 -0.720 1.00 0.00 H new ATOM 465 N VAL A 65 30.730 -3.020 -7.127 1.00 0.00 N ATOM 466 CA VAL A 65 31.207 -2.468 -8.389 1.00 0.00 C ATOM 467 C VAL A 65 30.240 -2.824 -9.516 1.00 0.00 C ATOM 468 O VAL A 65 29.869 -1.967 -10.316 1.00 0.00 O ATOM 469 CB VAL A 65 32.610 -3.027 -8.682 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.106 -2.507 -10.034 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.583 -2.587 -7.586 1.00 0.00 C ATOM 0 H VAL A 65 31.390 -3.654 -6.677 1.00 0.00 H new ATOM 0 HA VAL A 65 31.261 -1.382 -8.319 1.00 0.00 H new ATOM 0 HB VAL A 65 32.557 -4.115 -8.708 1.00 0.00 H new ATOM 0 HG11 VAL A 65 34.100 -2.907 -10.235 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.421 -2.825 -10.820 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.151 -1.418 -10.011 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.575 -2.986 -7.799 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.628 -1.498 -7.555 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.240 -2.963 -6.622 1.00 0.00 H new ATOM 481 N ILE A 66 29.838 -4.095 -9.578 1.00 0.00 N ATOM 482 CA ILE A 66 28.938 -4.576 -10.614 1.00 0.00 C ATOM 483 C ILE A 66 27.576 -3.881 -10.485 1.00 0.00 C ATOM 484 O ILE A 66 26.978 -3.499 -11.491 1.00 0.00 O ATOM 485 CB ILE A 66 28.810 -6.107 -10.495 1.00 0.00 C ATOM 486 CG1 ILE A 66 30.199 -6.749 -10.686 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.849 -6.631 -11.569 1.00 0.00 C ATOM 488 CD1 ILE A 66 30.186 -8.208 -10.227 1.00 0.00 C ATOM 0 H ILE A 66 30.128 -4.812 -8.913 1.00 0.00 H new ATOM 0 HA ILE A 66 29.335 -4.339 -11.601 1.00 0.00 H new ATOM 0 HB ILE A 66 28.420 -6.364 -9.510 1.00 0.00 H new ATOM 0 HG12 ILE A 66 30.489 -6.695 -11.735 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.945 -6.191 -10.120 1.00 0.00 H new ATOM 0 HG21 ILE A 66 27.761 -7.714 -11.482 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.868 -6.175 -11.433 1.00 0.00 H new ATOM 0 HG23 ILE A 66 28.234 -6.377 -12.557 1.00 0.00 H new ATOM 0 HD11 ILE A 66 31.175 -8.643 -10.370 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.918 -8.255 -9.172 1.00 0.00 H new ATOM 0 HD13 ILE A 66 29.456 -8.767 -10.812 1.00 0.00 H new ATOM 500 N ALA A 67 27.094 -3.716 -9.247 1.00 0.00 N ATOM 501 CA ALA A 67 25.808 -3.083 -8.985 1.00 0.00 C ATOM 502 C ALA A 67 25.807 -1.631 -9.460 1.00 0.00 C ATOM 503 O ALA A 67 24.784 -1.141 -9.927 1.00 0.00 O ATOM 504 CB ALA A 67 25.505 -3.153 -7.490 1.00 0.00 C ATOM 0 H ALA A 67 27.586 -4.018 -8.406 1.00 0.00 H new ATOM 0 HA ALA A 67 25.034 -3.615 -9.538 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.543 -2.680 -7.291 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.469 -4.196 -7.175 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.286 -2.633 -6.936 1.00 0.00 H new ATOM 510 N ASN A 68 26.947 -0.936 -9.344 1.00 0.00 N ATOM 511 CA ASN A 68 27.039 0.456 -9.774 1.00 0.00 C ATOM 512 C ASN A 68 26.727 0.571 -11.269 1.00 0.00 C ATOM 513 O ASN A 68 26.244 1.608 -11.719 1.00 0.00 O ATOM 514 CB ASN A 68 28.439 1.013 -9.478 1.00 0.00 C ATOM 515 CG ASN A 68 28.732 1.046 -7.978 1.00 0.00 C ATOM 516 OD1 ASN A 68 29.798 0.620 -7.545 1.00 0.00 O ATOM 517 ND2 ASN A 68 27.789 1.558 -7.184 1.00 0.00 N ATOM 0 H ASN A 68 27.811 -1.317 -8.958 1.00 0.00 H new ATOM 0 HA ASN A 68 26.306 1.042 -9.219 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.187 0.401 -9.981 1.00 0.00 H new ATOM 0 HB3 ASN A 68 28.523 2.020 -9.887 1.00 0.00 H new ATOM 0 HD21 ASN A 68 27.941 1.606 -6.177 1.00 0.00 H new ATOM 0 HD22 ASN A 68 26.916 1.902 -7.585 1.00 0.00 H new ATOM 524 N TYR A 69 27.000 -0.495 -12.038 1.00 0.00 N ATOM 525 CA TYR A 69 26.751 -0.498 -13.476 1.00 0.00 C ATOM 526 C TYR A 69 25.348 -1.038 -13.785 1.00 0.00 C ATOM 527 O TYR A 69 25.009 -1.220 -14.956 1.00 0.00 O ATOM 528 CB TYR A 69 27.814 -1.357 -14.171 1.00 0.00 C ATOM 529 CG TYR A 69 29.239 -1.053 -13.746 1.00 0.00 C ATOM 530 CD1 TYR A 69 29.646 0.275 -13.502 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.164 -2.103 -13.605 1.00 0.00 C ATOM 532 CE1 TYR A 69 30.969 0.545 -13.116 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.487 -1.830 -13.223 1.00 0.00 C ATOM 534 CZ TYR A 69 31.890 -0.507 -12.976 1.00 0.00 C ATOM 535 OH TYR A 69 33.175 -0.242 -12.604 1.00 0.00 O ATOM 0 H TYR A 69 27.394 -1.365 -11.680 1.00 0.00 H new ATOM 0 HA TYR A 69 26.807 0.525 -13.848 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.604 -2.407 -13.970 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.731 -1.216 -15.249 1.00 0.00 H new ATOM 0 HD1 TYR A 69 28.940 1.085 -13.612 1.00 0.00 H new ATOM 0 HD2 TYR A 69 29.856 -3.121 -13.791 1.00 0.00 H new ATOM 0 HE1 TYR A 69 31.279 1.562 -12.927 1.00 0.00 H new ATOM 0 HE2 TYR A 69 32.196 -2.638 -13.119 1.00 0.00 H new ATOM 0 HH TYR A 69 33.680 -1.080 -12.553 1.00 0.00 H new ATOM 545 N LEU A 70 24.539 -1.297 -12.742 1.00 0.00 N ATOM 546 CA LEU A 70 23.187 -1.824 -12.902 1.00 0.00 C ATOM 547 C LEU A 70 22.223 -1.007 -12.033 1.00 0.00 C ATOM 548 O LEU A 70 22.062 -1.305 -10.851 1.00 0.00 O ATOM 549 CB LEU A 70 23.160 -3.297 -12.474 1.00 0.00 C ATOM 550 CG LEU A 70 24.041 -4.151 -13.398 1.00 0.00 C ATOM 551 CD1 LEU A 70 24.353 -5.476 -12.711 1.00 0.00 C ATOM 552 CD2 LEU A 70 23.308 -4.428 -14.712 1.00 0.00 C ATOM 0 H LEU A 70 24.810 -1.145 -11.771 1.00 0.00 H new ATOM 0 HA LEU A 70 22.881 -1.751 -13.946 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.509 -3.388 -11.445 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.135 -3.668 -12.497 1.00 0.00 H new ATOM 0 HG LEU A 70 24.965 -3.613 -13.609 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.978 -6.086 -13.363 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.881 -5.286 -11.776 1.00 0.00 H new ATOM 0 HD13 LEU A 70 23.423 -6.005 -12.501 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.940 -5.034 -15.361 1.00 0.00 H new ATOM 0 HD22 LEU A 70 22.381 -4.963 -14.506 1.00 0.00 H new ATOM 0 HD23 LEU A 70 23.079 -3.484 -15.207 1.00 0.00 H new ATOM 564 N PRO A 71 21.579 0.029 -12.605 1.00 0.00 N ATOM 565 CA PRO A 71 20.671 0.883 -11.867 1.00 0.00 C ATOM 566 C PRO A 71 19.579 0.066 -11.174 1.00 0.00 C ATOM 567 O PRO A 71 19.029 -0.863 -11.763 1.00 0.00 O ATOM 568 CB PRO A 71 20.083 1.855 -12.894 1.00 0.00 C ATOM 569 CG PRO A 71 20.853 1.636 -14.202 1.00 0.00 C ATOM 570 CD PRO A 71 21.727 0.398 -13.998 1.00 0.00 C ATOM 0 HA PRO A 71 21.187 1.419 -11.070 1.00 0.00 H new ATOM 0 HB2 PRO A 71 19.018 1.670 -13.036 1.00 0.00 H new ATOM 0 HB3 PRO A 71 20.184 2.885 -12.553 1.00 0.00 H new ATOM 0 HG2 PRO A 71 20.166 1.491 -15.036 1.00 0.00 H new ATOM 0 HG3 PRO A 71 21.465 2.506 -14.441 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.411 -0.415 -14.652 1.00 0.00 H new ATOM 0 HD3 PRO A 71 22.769 0.612 -14.236 1.00 0.00 H new ATOM 578 N ASN A 72 19.280 0.431 -9.912 1.00 0.00 N ATOM 579 CA ASN A 72 18.245 -0.218 -9.094 1.00 0.00 C ATOM 580 C ASN A 72 18.709 -1.585 -8.570 1.00 0.00 C ATOM 581 O ASN A 72 18.310 -1.984 -7.477 1.00 0.00 O ATOM 582 CB ASN A 72 16.927 -0.354 -9.878 1.00 0.00 C ATOM 583 CG ASN A 72 16.534 0.966 -10.536 1.00 0.00 C ATOM 584 OD1 ASN A 72 16.512 1.070 -11.759 1.00 0.00 O ATOM 585 ND2 ASN A 72 16.221 1.975 -9.720 1.00 0.00 N ATOM 0 H ASN A 72 19.757 1.193 -9.430 1.00 0.00 H new ATOM 0 HA ASN A 72 18.066 0.422 -8.230 1.00 0.00 H new ATOM 0 HB2 ASN A 72 17.033 -1.125 -10.641 1.00 0.00 H new ATOM 0 HB3 ASN A 72 16.133 -0.678 -9.205 1.00 0.00 H new ATOM 0 HD21 ASN A 72 15.949 2.879 -10.107 1.00 0.00 H new ATOM 0 HD22 ASN A 72 16.253 1.842 -8.709 1.00 0.00 H new ATOM 592 N ARG A 73 19.538 -2.309 -9.334 1.00 0.00 N ATOM 593 CA ARG A 73 20.003 -3.625 -8.916 1.00 0.00 C ATOM 594 C ARG A 73 21.144 -3.469 -7.914 1.00 0.00 C ATOM 595 O ARG A 73 22.293 -3.281 -8.305 1.00 0.00 O ATOM 596 CB ARG A 73 20.468 -4.448 -10.131 1.00 0.00 C ATOM 597 CG ARG A 73 19.521 -4.267 -11.323 1.00 0.00 C ATOM 598 CD ARG A 73 18.066 -4.511 -10.896 1.00 0.00 C ATOM 599 NE ARG A 73 17.219 -4.858 -12.046 1.00 0.00 N ATOM 600 CZ ARG A 73 17.139 -4.113 -13.166 1.00 0.00 C ATOM 601 NH1 ARG A 73 17.685 -2.891 -13.220 1.00 0.00 N ATOM 602 NH2 ARG A 73 16.514 -4.600 -14.242 1.00 0.00 N ATOM 0 H ARG A 73 19.895 -2.002 -10.239 1.00 0.00 H new ATOM 0 HA ARG A 73 19.178 -4.157 -8.442 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.475 -4.144 -10.415 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.518 -5.503 -9.861 1.00 0.00 H new ATOM 0 HG2 ARG A 73 19.624 -3.260 -11.727 1.00 0.00 H new ATOM 0 HG3 ARG A 73 19.793 -4.959 -12.120 1.00 0.00 H new ATOM 0 HD2 ARG A 73 18.031 -5.315 -10.161 1.00 0.00 H new ATOM 0 HD3 ARG A 73 17.674 -3.618 -10.410 1.00 0.00 H new ATOM 0 HE ARG A 73 16.661 -5.710 -11.993 1.00 0.00 H new ATOM 0 HH11 ARG A 73 18.170 -2.513 -12.406 1.00 0.00 H new ATOM 0 HH12 ARG A 73 17.616 -2.339 -14.075 1.00 0.00 H new ATOM 0 HH21 ARG A 73 16.100 -5.532 -14.213 1.00 0.00 H new ATOM 0 HH22 ARG A 73 16.451 -4.040 -15.092 1.00 0.00 H new ATOM 616 N THR A 74 20.828 -3.549 -6.618 1.00 0.00 N ATOM 617 CA THR A 74 21.839 -3.436 -5.579 1.00 0.00 C ATOM 618 C THR A 74 22.685 -4.712 -5.549 1.00 0.00 C ATOM 619 O THR A 74 22.287 -5.741 -6.093 1.00 0.00 O ATOM 620 CB THR A 74 21.168 -3.167 -4.221 1.00 0.00 C ATOM 621 OG1 THR A 74 22.149 -2.806 -3.267 1.00 0.00 O ATOM 622 CG2 THR A 74 20.416 -4.409 -3.737 1.00 0.00 C ATOM 0 H THR A 74 19.880 -3.691 -6.270 1.00 0.00 H new ATOM 0 HA THR A 74 22.500 -2.596 -5.793 1.00 0.00 H new ATOM 0 HB THR A 74 20.456 -2.351 -4.341 1.00 0.00 H new ATOM 0 HG1 THR A 74 22.644 -3.605 -2.989 1.00 0.00 H new ATOM 0 HG21 THR A 74 19.948 -4.199 -2.775 1.00 0.00 H new ATOM 0 HG22 THR A 74 19.648 -4.676 -4.463 1.00 0.00 H new ATOM 0 HG23 THR A 74 21.115 -5.238 -3.627 1.00 0.00 H new ATOM 630 N ASP A 75 23.852 -4.626 -4.908 1.00 0.00 N ATOM 631 CA ASP A 75 24.789 -5.740 -4.792 1.00 0.00 C ATOM 632 C ASP A 75 24.075 -7.031 -4.376 1.00 0.00 C ATOM 633 O ASP A 75 24.264 -8.072 -5.007 1.00 0.00 O ATOM 634 CB ASP A 75 25.883 -5.363 -3.776 1.00 0.00 C ATOM 635 CG ASP A 75 25.313 -5.099 -2.377 1.00 0.00 C ATOM 636 OD1 ASP A 75 24.188 -4.544 -2.304 1.00 0.00 O ATOM 637 OD2 ASP A 75 26.014 -5.456 -1.408 1.00 0.00 O ATOM 0 H ASP A 75 24.174 -3.773 -4.451 1.00 0.00 H new ATOM 0 HA ASP A 75 25.243 -5.929 -5.765 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.617 -6.167 -3.721 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.409 -4.474 -4.125 1.00 0.00 H new ATOM 642 N VAL A 76 23.261 -6.965 -3.319 1.00 0.00 N ATOM 643 CA VAL A 76 22.543 -8.130 -2.817 1.00 0.00 C ATOM 644 C VAL A 76 21.683 -8.748 -3.921 1.00 0.00 C ATOM 645 O VAL A 76 21.662 -9.966 -4.072 1.00 0.00 O ATOM 646 CB VAL A 76 21.675 -7.720 -1.615 1.00 0.00 C ATOM 647 CG1 VAL A 76 20.781 -8.892 -1.191 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.575 -7.327 -0.441 1.00 0.00 C ATOM 0 H VAL A 76 23.085 -6.108 -2.794 1.00 0.00 H new ATOM 0 HA VAL A 76 23.263 -8.882 -2.494 1.00 0.00 H new ATOM 0 HB VAL A 76 21.052 -6.873 -1.902 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.170 -8.594 -0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.134 -9.175 -2.021 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.404 -9.742 -0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.958 -7.037 0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.201 -8.175 -0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.208 -6.489 -0.733 1.00 0.00 H new ATOM 658 N GLN A 77 20.968 -7.913 -4.687 1.00 0.00 N ATOM 659 CA GLN A 77 20.082 -8.401 -5.731 1.00 0.00 C ATOM 660 C GLN A 77 20.892 -9.023 -6.863 1.00 0.00 C ATOM 661 O GLN A 77 20.544 -10.092 -7.348 1.00 0.00 O ATOM 662 CB GLN A 77 19.214 -7.252 -6.250 1.00 0.00 C ATOM 663 CG GLN A 77 18.002 -7.827 -6.991 1.00 0.00 C ATOM 664 CD GLN A 77 17.231 -6.740 -7.732 1.00 0.00 C ATOM 665 OE1 GLN A 77 16.757 -6.966 -8.842 1.00 0.00 O ATOM 666 NE2 GLN A 77 17.103 -5.562 -7.120 1.00 0.00 N ATOM 0 H GLN A 77 20.992 -6.897 -4.597 1.00 0.00 H new ATOM 0 HA GLN A 77 19.431 -9.171 -5.318 1.00 0.00 H new ATOM 0 HB2 GLN A 77 18.884 -6.627 -5.420 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.795 -6.615 -6.918 1.00 0.00 H new ATOM 0 HG2 GLN A 77 18.334 -8.586 -7.699 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.341 -8.322 -6.280 1.00 0.00 H new ATOM 0 HE21 GLN A 77 17.514 -5.419 -6.197 1.00 0.00 H new ATOM 0 HE22 GLN A 77 16.594 -4.804 -7.575 1.00 0.00 H new ATOM 675 N CYS A 78 21.971 -8.354 -7.282 1.00 0.00 N ATOM 676 CA CYS A 78 22.820 -8.859 -8.353 1.00 0.00 C ATOM 677 C CYS A 78 23.358 -10.238 -7.974 1.00 0.00 C ATOM 678 O CYS A 78 23.378 -11.149 -8.803 1.00 0.00 O ATOM 679 CB CYS A 78 23.969 -7.883 -8.608 1.00 0.00 C ATOM 680 SG CYS A 78 23.290 -6.302 -9.166 1.00 0.00 S ATOM 0 H CYS A 78 22.273 -7.461 -6.892 1.00 0.00 H new ATOM 0 HA CYS A 78 22.236 -8.951 -9.269 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.551 -7.742 -7.698 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.646 -8.288 -9.360 1.00 0.00 H new ATOM 0 HG CYS A 78 22.739 -5.688 -8.162 1.00 0.00 H new ATOM 686 N GLN A 79 23.787 -10.392 -6.716 1.00 0.00 N ATOM 687 CA GLN A 79 24.300 -11.660 -6.232 1.00 0.00 C ATOM 688 C GLN A 79 23.181 -12.701 -6.240 1.00 0.00 C ATOM 689 O GLN A 79 23.360 -13.798 -6.763 1.00 0.00 O ATOM 690 CB GLN A 79 24.872 -11.473 -4.821 1.00 0.00 C ATOM 691 CG GLN A 79 25.713 -12.697 -4.428 1.00 0.00 C ATOM 692 CD GLN A 79 24.940 -13.639 -3.516 1.00 0.00 C ATOM 693 OE1 GLN A 79 24.230 -14.522 -3.985 1.00 0.00 O ATOM 694 NE2 GLN A 79 25.087 -13.449 -2.207 1.00 0.00 N ATOM 0 H GLN A 79 23.785 -9.646 -6.020 1.00 0.00 H new ATOM 0 HA GLN A 79 25.099 -12.013 -6.884 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.486 -10.573 -4.785 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.061 -11.334 -4.106 1.00 0.00 H new ATOM 0 HG2 GLN A 79 26.021 -13.231 -5.327 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.623 -12.368 -3.925 1.00 0.00 H new ATOM 0 HE21 GLN A 79 25.689 -12.700 -1.865 1.00 0.00 H new ATOM 0 HE22 GLN A 79 24.597 -14.052 -1.546 1.00 0.00 H new ATOM 703 N HIS A 80 22.022 -12.347 -5.663 1.00 0.00 N ATOM 704 CA HIS A 80 20.876 -13.249 -5.605 1.00 0.00 C ATOM 705 C HIS A 80 20.274 -13.464 -6.995 1.00 0.00 C ATOM 706 O HIS A 80 19.387 -14.298 -7.151 1.00 0.00 O ATOM 707 CB HIS A 80 19.822 -12.688 -4.641 1.00 0.00 C ATOM 708 CG HIS A 80 19.941 -13.270 -3.258 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.851 -13.412 -2.409 1.00 0.00 N ATOM 710 CD2 HIS A 80 21.005 -13.771 -2.551 1.00 0.00 C ATOM 711 CE1 HIS A 80 19.311 -13.975 -1.275 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.622 -14.225 -1.298 1.00 0.00 N ATOM 0 H HIS A 80 21.860 -11.438 -5.230 1.00 0.00 H new ATOM 0 HA HIS A 80 21.215 -14.217 -5.237 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.924 -11.604 -4.586 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.827 -12.895 -5.035 1.00 0.00 H new ATOM 0 HD2 HIS A 80 22.018 -13.807 -2.925 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.680 -14.202 -0.429 1.00 0.00 H new ATOM 0 HE2 HIS A 80 21.201 -14.647 -0.572 1.00 0.00 H new ATOM 720 N ARG A 81 20.750 -12.729 -8.005 1.00 0.00 N ATOM 721 CA ARG A 81 20.281 -12.912 -9.362 1.00 0.00 C ATOM 722 C ARG A 81 21.168 -13.944 -10.046 1.00 0.00 C ATOM 723 O ARG A 81 20.668 -14.950 -10.550 1.00 0.00 O ATOM 724 CB ARG A 81 20.282 -11.561 -10.109 1.00 0.00 C ATOM 725 CG ARG A 81 19.905 -11.743 -11.593 1.00 0.00 C ATOM 726 CD ARG A 81 18.651 -12.622 -11.722 1.00 0.00 C ATOM 727 NE ARG A 81 17.797 -12.270 -12.876 1.00 0.00 N ATOM 728 CZ ARG A 81 18.199 -12.220 -14.158 1.00 0.00 C ATOM 729 NH1 ARG A 81 19.457 -11.904 -14.489 1.00 0.00 N ATOM 730 NH2 ARG A 81 17.307 -12.493 -15.116 1.00 0.00 N ATOM 0 H ARG A 81 21.460 -12.004 -7.898 1.00 0.00 H new ATOM 0 HA ARG A 81 19.255 -13.279 -9.367 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.577 -10.879 -9.633 1.00 0.00 H new ATOM 0 HB3 ARG A 81 21.268 -11.103 -10.035 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.724 -10.771 -12.051 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.735 -12.200 -12.132 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.956 -13.665 -11.811 1.00 0.00 H new ATOM 0 HD3 ARG A 81 18.064 -12.539 -10.807 1.00 0.00 H new ATOM 0 HE ARG A 81 16.821 -12.046 -12.684 1.00 0.00 H new ATOM 0 HH11 ARG A 81 20.139 -11.693 -13.760 1.00 0.00 H new ATOM 0 HH12 ARG A 81 19.734 -11.874 -15.470 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.347 -12.732 -14.866 1.00 0.00 H new ATOM 0 HH22 ARG A 81 17.586 -12.462 -16.097 1.00 0.00 H new ATOM 744 N TRP A 82 22.488 -13.705 -10.068 1.00 0.00 N ATOM 745 CA TRP A 82 23.398 -14.614 -10.739 1.00 0.00 C ATOM 746 C TRP A 82 23.620 -15.890 -9.929 1.00 0.00 C ATOM 747 O TRP A 82 23.321 -16.979 -10.415 1.00 0.00 O ATOM 748 CB TRP A 82 24.733 -13.944 -11.048 1.00 0.00 C ATOM 749 CG TRP A 82 25.563 -14.778 -11.967 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.516 -15.648 -11.594 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.468 -14.906 -13.416 1.00 0.00 C ATOM 752 NE1 TRP A 82 27.017 -16.323 -12.680 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.396 -15.906 -13.844 1.00 0.00 C ATOM 754 CE3 TRP A 82 24.676 -14.296 -14.420 1.00 0.00 C ATOM 755 CZ2 TRP A 82 26.521 -16.287 -15.181 1.00 0.00 C ATOM 756 CZ3 TRP A 82 24.809 -14.673 -15.774 1.00 0.00 C ATOM 757 CH2 TRP A 82 25.725 -15.672 -16.149 1.00 0.00 C ATOM 0 H TRP A 82 22.934 -12.898 -9.632 1.00 0.00 H new ATOM 0 HA TRP A 82 22.928 -14.889 -11.683 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.556 -12.968 -11.501 1.00 0.00 H new ATOM 0 HB3 TRP A 82 25.278 -13.771 -10.120 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.844 -15.797 -10.576 1.00 0.00 H new ATOM 0 HE1 TRP A 82 27.747 -17.034 -12.635 1.00 0.00 H new ATOM 0 HE3 TRP A 82 23.962 -13.533 -14.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 27.228 -17.052 -15.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 24.203 -14.191 -16.527 1.00 0.00 H new ATOM 0 HH2 TRP A 82 25.813 -15.963 -17.185 1.00 0.00 H new ATOM 768 N GLN A 83 24.155 -15.766 -8.704 1.00 0.00 N ATOM 769 CA GLN A 83 24.456 -16.928 -7.867 1.00 0.00 C ATOM 770 C GLN A 83 23.177 -17.458 -7.222 1.00 0.00 C ATOM 771 O GLN A 83 23.116 -17.623 -6.004 1.00 0.00 O ATOM 772 CB GLN A 83 25.481 -16.537 -6.792 1.00 0.00 C ATOM 773 CG GLN A 83 26.786 -16.085 -7.448 1.00 0.00 C ATOM 774 CD GLN A 83 27.873 -15.872 -6.397 1.00 0.00 C ATOM 775 OE1 GLN A 83 28.012 -14.778 -5.853 1.00 0.00 O ATOM 776 NE2 GLN A 83 28.646 -16.920 -6.112 1.00 0.00 N ATOM 0 H GLN A 83 24.387 -14.870 -8.275 1.00 0.00 H new ATOM 0 HA GLN A 83 24.879 -17.718 -8.487 1.00 0.00 H new ATOM 0 HB2 GLN A 83 25.080 -15.735 -6.171 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.671 -17.385 -6.134 1.00 0.00 H new ATOM 0 HG2 GLN A 83 27.113 -16.832 -8.171 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.620 -15.160 -8.000 1.00 0.00 H new ATOM 0 HE21 GLN A 83 28.495 -17.809 -6.588 1.00 0.00 H new ATOM 0 HE22 GLN A 83 29.388 -16.832 -5.418 1.00 0.00 H new ATOM 785 N LYS A 84 22.154 -17.722 -8.040 1.00 0.00 N ATOM 786 CA LYS A 84 20.884 -18.222 -7.553 1.00 0.00 C ATOM 787 C LYS A 84 20.089 -18.856 -8.698 1.00 0.00 C ATOM 788 O LYS A 84 19.429 -19.873 -8.494 1.00 0.00 O ATOM 789 CB LYS A 84 20.100 -17.064 -6.925 1.00 0.00 C ATOM 790 CG LYS A 84 19.428 -17.508 -5.619 1.00 0.00 C ATOM 791 CD LYS A 84 20.432 -17.417 -4.461 1.00 0.00 C ATOM 792 CE LYS A 84 19.697 -17.536 -3.123 1.00 0.00 C ATOM 793 NZ LYS A 84 20.599 -17.232 -1.996 1.00 0.00 N ATOM 0 H LYS A 84 22.191 -17.593 -9.051 1.00 0.00 H new ATOM 0 HA LYS A 84 21.057 -18.990 -6.799 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.772 -16.228 -6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 84 19.345 -16.708 -7.625 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.562 -16.879 -5.412 1.00 0.00 H new ATOM 0 HG3 LYS A 84 19.063 -18.530 -5.716 1.00 0.00 H new ATOM 0 HD2 LYS A 84 21.175 -18.210 -4.549 1.00 0.00 H new ATOM 0 HD3 LYS A 84 20.969 -16.470 -4.508 1.00 0.00 H new ATOM 0 HE2 LYS A 84 18.848 -16.853 -3.108 1.00 0.00 H new ATOM 0 HE3 LYS A 84 19.297 -18.544 -3.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 20.322 -17.797 -1.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 21.577 -17.464 -2.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 20.534 -16.221 -1.763 1.00 0.00 H new ATOM 807 N VAL A 85 20.139 -18.243 -9.903 1.00 0.00 N ATOM 808 CA VAL A 85 19.371 -18.725 -11.050 1.00 0.00 C ATOM 809 C VAL A 85 20.265 -18.899 -12.287 1.00 0.00 C ATOM 810 O VAL A 85 20.255 -19.963 -12.904 1.00 0.00 O ATOM 811 CB VAL A 85 18.229 -17.735 -11.343 1.00 0.00 C ATOM 812 CG1 VAL A 85 17.380 -18.252 -12.509 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.340 -17.580 -10.103 1.00 0.00 C ATOM 0 H VAL A 85 20.705 -17.416 -10.095 1.00 0.00 H new ATOM 0 HA VAL A 85 18.955 -19.703 -10.810 1.00 0.00 H new ATOM 0 HB VAL A 85 18.660 -16.768 -11.604 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.573 -17.548 -12.712 1.00 0.00 H new ATOM 0 HG12 VAL A 85 18.004 -18.354 -13.396 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.957 -19.223 -12.249 1.00 0.00 H new ATOM 0 HG21 VAL A 85 16.534 -16.878 -10.318 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.916 -18.548 -9.836 1.00 0.00 H new ATOM 0 HG23 VAL A 85 17.937 -17.204 -9.272 1.00 0.00 H new ATOM 823 N LEU A 86 21.023 -17.857 -12.663 1.00 0.00 N ATOM 824 CA LEU A 86 21.857 -17.912 -13.862 1.00 0.00 C ATOM 825 C LEU A 86 23.003 -18.896 -13.649 1.00 0.00 C ATOM 826 O LEU A 86 23.923 -18.624 -12.880 1.00 0.00 O ATOM 827 CB LEU A 86 22.439 -16.525 -14.200 1.00 0.00 C ATOM 828 CG LEU A 86 21.379 -15.516 -14.716 1.00 0.00 C ATOM 829 CD1 LEU A 86 20.364 -16.185 -15.634 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.642 -14.859 -13.557 1.00 0.00 C ATOM 0 H LEU A 86 21.072 -16.974 -12.154 1.00 0.00 H new ATOM 0 HA LEU A 86 21.231 -18.240 -14.692 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.917 -16.114 -13.311 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.216 -16.641 -14.955 1.00 0.00 H new ATOM 0 HG LEU A 86 21.918 -14.757 -15.283 1.00 0.00 H new ATOM 0 HD11 LEU A 86 19.639 -15.446 -15.974 1.00 0.00 H new ATOM 0 HD12 LEU A 86 20.878 -16.612 -16.495 1.00 0.00 H new ATOM 0 HD13 LEU A 86 19.848 -16.976 -15.090 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.905 -14.156 -13.946 1.00 0.00 H new ATOM 0 HD22 LEU A 86 20.138 -15.624 -12.966 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.355 -14.326 -12.928 1.00 0.00 H new