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 79 GLN : amide:sc= 0.848 K(o=1.6,f=-0.28) USER MOD Set 1.2: A 83 GLN : amide:sc= 0.745 K(o=1.6,f=-1.6) USER MOD Set 2.1: A 58 ASN : amide:sc= 1.05 K(o=1.8,f=0.43) USER MOD Set 2.2: A 69 TYR OH : rot -173:sc= 0.725 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 142:sc= 1.21 (180deg=1.15) USER MOD Single : A 52 LYS NZ :NH3+ -174:sc= 1.17 (180deg=0.979) USER MOD Single : A 53 LYS NZ :NH3+ -177:sc= 1.19 (180deg=1.17) USER MOD Single : A 57 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.22) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0414 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 1.3 (180deg=1.3) USER MOD Single : A 68 ASN : amide:sc= 0.918 K(o=0.92,f=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 USER MOD Single : A 77 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.66) USER MOD Single : A 78 CYS SG : rot 101:sc= -0.916 USER MOD Single : A 80 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.02) USER MOD Single : A 84 LYS NZ :NH3+ -166:sc=-0.00601 (180deg=-0.177) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.112 -9.677 -13.606 1.00 0.00 N ATOM 90 CA TRP A 43 14.250 -9.065 -14.269 1.00 0.00 C ATOM 91 C TRP A 43 14.053 -9.104 -15.778 1.00 0.00 C ATOM 92 O TRP A 43 13.441 -10.034 -16.303 1.00 0.00 O ATOM 93 CB TRP A 43 15.511 -9.844 -13.897 1.00 0.00 C ATOM 94 CG TRP A 43 16.263 -9.316 -12.721 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.818 -9.273 -11.457 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.604 -8.758 -12.677 1.00 0.00 C ATOM 97 NE1 TRP A 43 16.758 -8.738 -10.621 1.00 0.00 N ATOM 98 CE2 TRP A 43 17.902 -8.394 -11.326 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.608 -8.526 -13.641 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.129 -7.826 -10.958 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.838 -7.949 -13.281 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.099 -7.596 -11.945 1.00 0.00 C ATOM 0 HA TRP A 43 14.345 -8.026 -13.953 1.00 0.00 H new ATOM 0 HB2 TRP A 43 15.233 -10.878 -13.695 1.00 0.00 H new ATOM 0 HB3 TRP A 43 16.178 -9.856 -14.759 1.00 0.00 H new ATOM 0 HD1 TRP A 43 14.844 -9.616 -11.141 1.00 0.00 H new ATOM 0 HE1 TRP A 43 16.635 -8.609 -9.617 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.429 -8.796 -14.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.325 -7.569 -9.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.589 -7.775 -14.037 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.045 -7.148 -11.679 1.00 0.00 H new ATOM 113 N THR A 44 14.587 -8.098 -16.475 1.00 0.00 N ATOM 114 CA THR A 44 14.517 -8.042 -17.922 1.00 0.00 C ATOM 115 C THR A 44 15.584 -8.976 -18.491 1.00 0.00 C ATOM 116 O THR A 44 16.721 -8.975 -18.019 1.00 0.00 O ATOM 117 CB THR A 44 14.739 -6.596 -18.385 1.00 0.00 C ATOM 118 OG1 THR A 44 13.960 -5.723 -17.593 1.00 0.00 O ATOM 119 CG2 THR A 44 14.329 -6.447 -19.851 1.00 0.00 C ATOM 0 H THR A 44 15.074 -7.310 -16.049 1.00 0.00 H new ATOM 0 HA THR A 44 13.538 -8.363 -18.278 1.00 0.00 H new ATOM 0 HB THR A 44 15.795 -6.347 -18.280 1.00 0.00 H new ATOM 0 HG1 THR A 44 14.103 -4.799 -17.887 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.490 -5.418 -20.171 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.930 -7.117 -20.467 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.275 -6.701 -19.962 1.00 0.00 H new ATOM 127 N ARG A 45 15.221 -9.778 -19.500 1.00 0.00 N ATOM 128 CA ARG A 45 16.150 -10.728 -20.101 1.00 0.00 C ATOM 129 C ARG A 45 17.398 -10.001 -20.610 1.00 0.00 C ATOM 130 O ARG A 45 18.501 -10.540 -20.544 1.00 0.00 O ATOM 131 CB ARG A 45 15.450 -11.483 -21.237 1.00 0.00 C ATOM 132 CG ARG A 45 16.063 -12.881 -21.385 1.00 0.00 C ATOM 133 CD ARG A 45 15.456 -13.832 -20.344 1.00 0.00 C ATOM 134 NE ARG A 45 16.108 -15.149 -20.395 1.00 0.00 N ATOM 135 CZ ARG A 45 17.261 -15.439 -19.758 1.00 0.00 C ATOM 136 NH1 ARG A 45 17.816 -14.562 -18.906 1.00 0.00 N ATOM 137 NH2 ARG A 45 17.860 -16.616 -19.978 1.00 0.00 N ATOM 0 H ARG A 45 14.289 -9.784 -19.914 1.00 0.00 H new ATOM 0 HA ARG A 45 16.467 -11.450 -19.348 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.383 -11.564 -21.029 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.552 -10.930 -22.171 1.00 0.00 H new ATOM 0 HG2 ARG A 45 15.880 -13.263 -22.389 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.144 -12.829 -21.256 1.00 0.00 H new ATOM 0 HD2 ARG A 45 15.566 -13.405 -19.347 1.00 0.00 H new ATOM 0 HD3 ARG A 45 14.387 -13.943 -20.526 1.00 0.00 H new ATOM 0 HE ARG A 45 15.663 -15.885 -20.943 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.365 -13.663 -18.734 1.00 0.00 H new ATOM 0 HH12 ARG A 45 18.688 -14.794 -18.431 1.00 0.00 H new ATOM 0 HH21 ARG A 45 17.444 -17.287 -20.624 1.00 0.00 H new ATOM 0 HH22 ARG A 45 18.732 -16.842 -19.500 1.00 0.00 H new ATOM 151 N GLU A 46 17.223 -8.773 -21.109 1.00 0.00 N ATOM 152 CA GLU A 46 18.337 -7.971 -21.581 1.00 0.00 C ATOM 153 C GLU A 46 19.318 -7.738 -20.431 1.00 0.00 C ATOM 154 O GLU A 46 20.531 -7.834 -20.617 1.00 0.00 O ATOM 155 CB GLU A 46 17.808 -6.639 -22.123 1.00 0.00 C ATOM 156 CG GLU A 46 18.944 -5.863 -22.798 1.00 0.00 C ATOM 157 CD GLU A 46 18.507 -4.446 -23.149 1.00 0.00 C ATOM 158 OE1 GLU A 46 17.314 -4.284 -23.481 1.00 0.00 O ATOM 159 OE2 GLU A 46 19.379 -3.552 -23.078 1.00 0.00 O ATOM 0 H GLU A 46 16.314 -8.319 -21.193 1.00 0.00 H new ATOM 0 HA GLU A 46 18.860 -8.491 -22.383 1.00 0.00 H new ATOM 0 HB2 GLU A 46 17.005 -6.820 -22.837 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.385 -6.048 -21.311 1.00 0.00 H new ATOM 0 HG2 GLU A 46 19.808 -5.827 -22.135 1.00 0.00 H new ATOM 0 HG3 GLU A 46 19.258 -6.385 -23.702 1.00 0.00 H new ATOM 166 N GLU A 47 18.786 -7.430 -19.238 1.00 0.00 N ATOM 167 CA GLU A 47 19.610 -7.169 -18.072 1.00 0.00 C ATOM 168 C GLU A 47 20.343 -8.439 -17.648 1.00 0.00 C ATOM 169 O GLU A 47 21.478 -8.360 -17.203 1.00 0.00 O ATOM 170 CB GLU A 47 18.750 -6.639 -16.924 1.00 0.00 C ATOM 171 CG GLU A 47 19.609 -5.769 -16.007 1.00 0.00 C ATOM 172 CD GLU A 47 18.845 -5.363 -14.757 1.00 0.00 C ATOM 173 OE1 GLU A 47 17.627 -5.653 -14.703 1.00 0.00 O ATOM 174 OE2 GLU A 47 19.491 -4.769 -13.872 1.00 0.00 O ATOM 0 H GLU A 47 17.783 -7.358 -19.066 1.00 0.00 H new ATOM 0 HA GLU A 47 20.350 -6.411 -18.328 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.916 -6.059 -17.318 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.323 -7.469 -16.361 1.00 0.00 H new ATOM 0 HG2 GLU A 47 20.510 -6.314 -15.724 1.00 0.00 H new ATOM 0 HG3 GLU A 47 19.931 -4.877 -16.545 1.00 0.00 H new ATOM 181 N ASP A 48 19.701 -9.611 -17.786 1.00 0.00 N ATOM 182 CA ASP A 48 20.341 -10.876 -17.431 1.00 0.00 C ATOM 183 C ASP A 48 21.615 -11.044 -18.255 1.00 0.00 C ATOM 184 O ASP A 48 22.663 -11.391 -17.716 1.00 0.00 O ATOM 185 CB ASP A 48 19.390 -12.054 -17.684 1.00 0.00 C ATOM 186 CG ASP A 48 18.227 -12.077 -16.698 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.431 -11.628 -15.551 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.148 -12.559 -17.110 1.00 0.00 O ATOM 0 H ASP A 48 18.748 -9.703 -18.138 1.00 0.00 H new ATOM 0 HA ASP A 48 20.591 -10.863 -16.370 1.00 0.00 H new ATOM 0 HB2 ASP A 48 19.001 -11.993 -18.700 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.945 -12.989 -17.610 1.00 0.00 H new ATOM 193 N GLU A 49 21.523 -10.792 -19.568 1.00 0.00 N ATOM 194 CA GLU A 49 22.673 -10.901 -20.452 1.00 0.00 C ATOM 195 C GLU A 49 23.703 -9.832 -20.082 1.00 0.00 C ATOM 196 O GLU A 49 24.902 -10.110 -20.035 1.00 0.00 O ATOM 197 CB GLU A 49 22.212 -10.752 -21.908 1.00 0.00 C ATOM 198 CG GLU A 49 23.410 -10.867 -22.862 1.00 0.00 C ATOM 199 CD GLU A 49 24.172 -12.174 -22.649 1.00 0.00 C ATOM 200 OE1 GLU A 49 23.497 -13.218 -22.554 1.00 0.00 O ATOM 201 OE2 GLU A 49 25.421 -12.098 -22.589 1.00 0.00 O ATOM 0 H GLU A 49 20.660 -10.512 -20.034 1.00 0.00 H new ATOM 0 HA GLU A 49 23.142 -11.879 -20.341 1.00 0.00 H new ATOM 0 HB2 GLU A 49 21.476 -11.521 -22.144 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.721 -9.788 -22.044 1.00 0.00 H new ATOM 0 HG2 GLU A 49 23.062 -10.812 -23.893 1.00 0.00 H new ATOM 0 HG3 GLU A 49 24.082 -10.023 -22.707 1.00 0.00 H new ATOM 208 N LYS A 50 23.235 -8.608 -19.811 1.00 0.00 N ATOM 209 CA LYS A 50 24.114 -7.519 -19.412 1.00 0.00 C ATOM 210 C LYS A 50 24.894 -7.935 -18.163 1.00 0.00 C ATOM 211 O LYS A 50 26.095 -7.694 -18.064 1.00 0.00 O ATOM 212 CB LYS A 50 23.273 -6.263 -19.132 1.00 0.00 C ATOM 213 CG LYS A 50 24.017 -5.010 -19.610 1.00 0.00 C ATOM 214 CD LYS A 50 23.731 -4.766 -21.099 1.00 0.00 C ATOM 215 CE LYS A 50 22.371 -4.073 -21.265 1.00 0.00 C ATOM 216 NZ LYS A 50 22.013 -3.935 -22.688 1.00 0.00 N ATOM 0 H LYS A 50 22.249 -8.353 -19.863 1.00 0.00 H new ATOM 0 HA LYS A 50 24.821 -7.295 -20.211 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.311 -6.340 -19.640 1.00 0.00 H new ATOM 0 HB3 LYS A 50 23.065 -6.186 -18.065 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.704 -4.146 -19.025 1.00 0.00 H new ATOM 0 HG3 LYS A 50 25.089 -5.131 -19.452 1.00 0.00 H new ATOM 0 HD2 LYS A 50 24.518 -4.149 -21.533 1.00 0.00 H new ATOM 0 HD3 LYS A 50 23.734 -5.713 -21.639 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.602 -4.647 -20.748 1.00 0.00 H new ATOM 0 HE3 LYS A 50 22.402 -3.089 -20.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.992 -4.093 -22.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 22.255 -2.978 -23.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 22.539 -4.636 -23.248 1.00 0.00 H new ATOM 230 N LEU A 51 24.195 -8.566 -17.215 1.00 0.00 N ATOM 231 CA LEU A 51 24.785 -9.021 -15.974 1.00 0.00 C ATOM 232 C LEU A 51 25.803 -10.120 -16.266 1.00 0.00 C ATOM 233 O LEU A 51 26.891 -10.108 -15.711 1.00 0.00 O ATOM 234 CB LEU A 51 23.666 -9.521 -15.045 1.00 0.00 C ATOM 235 CG LEU A 51 24.221 -9.894 -13.662 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.844 -8.666 -12.993 1.00 0.00 C ATOM 237 CD2 LEU A 51 23.078 -10.416 -12.788 1.00 0.00 C ATOM 0 H LEU A 51 23.199 -8.772 -17.297 1.00 0.00 H new ATOM 0 HA LEU A 51 25.308 -8.204 -15.477 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.905 -8.748 -14.938 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.179 -10.388 -15.491 1.00 0.00 H new ATOM 0 HG LEU A 51 24.986 -10.662 -13.779 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.234 -8.944 -12.014 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.657 -8.287 -13.613 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.086 -7.892 -12.876 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.465 -10.683 -11.804 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.319 -9.641 -12.681 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.636 -11.296 -13.255 1.00 0.00 H new ATOM 249 N LYS A 52 25.449 -11.066 -17.145 1.00 0.00 N ATOM 250 CA LYS A 52 26.348 -12.151 -17.520 1.00 0.00 C ATOM 251 C LYS A 52 27.677 -11.581 -18.028 1.00 0.00 C ATOM 252 O LYS A 52 28.746 -12.079 -17.668 1.00 0.00 O ATOM 253 CB LYS A 52 25.677 -13.016 -18.599 1.00 0.00 C ATOM 254 CG LYS A 52 26.581 -14.199 -18.967 1.00 0.00 C ATOM 255 CD LYS A 52 27.267 -13.929 -20.311 1.00 0.00 C ATOM 256 CE LYS A 52 28.474 -14.856 -20.480 1.00 0.00 C ATOM 257 NZ LYS A 52 29.606 -14.408 -19.649 1.00 0.00 N ATOM 0 H LYS A 52 24.541 -11.097 -17.608 1.00 0.00 H new ATOM 0 HA LYS A 52 26.557 -12.772 -16.649 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.716 -13.382 -18.237 1.00 0.00 H new ATOM 0 HB3 LYS A 52 25.475 -12.414 -19.485 1.00 0.00 H new ATOM 0 HG2 LYS A 52 27.330 -14.352 -18.190 1.00 0.00 H new ATOM 0 HG3 LYS A 52 25.992 -15.114 -19.026 1.00 0.00 H new ATOM 0 HD2 LYS A 52 26.561 -14.086 -21.127 1.00 0.00 H new ATOM 0 HD3 LYS A 52 27.588 -12.888 -20.362 1.00 0.00 H new ATOM 0 HE2 LYS A 52 28.197 -15.874 -20.205 1.00 0.00 H new ATOM 0 HE3 LYS A 52 28.775 -14.880 -21.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 30.442 -14.991 -19.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 29.818 -13.412 -19.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 29.358 -14.505 -18.644 1.00 0.00 H new ATOM 271 N LYS A 53 27.608 -10.540 -18.866 1.00 0.00 N ATOM 272 CA LYS A 53 28.800 -9.918 -19.424 1.00 0.00 C ATOM 273 C LYS A 53 29.588 -9.191 -18.331 1.00 0.00 C ATOM 274 O LYS A 53 30.793 -9.388 -18.208 1.00 0.00 O ATOM 275 CB LYS A 53 28.398 -8.945 -20.537 1.00 0.00 C ATOM 276 CG LYS A 53 27.976 -9.726 -21.785 1.00 0.00 C ATOM 277 CD LYS A 53 27.746 -8.750 -22.945 1.00 0.00 C ATOM 278 CE LYS A 53 27.607 -9.521 -24.262 1.00 0.00 C ATOM 279 NZ LYS A 53 26.348 -10.287 -24.308 1.00 0.00 N ATOM 0 H LYS A 53 26.732 -10.114 -19.170 1.00 0.00 H new ATOM 0 HA LYS A 53 29.442 -10.692 -19.844 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.578 -8.311 -20.199 1.00 0.00 H new ATOM 0 HB3 LYS A 53 29.233 -8.286 -20.775 1.00 0.00 H new ATOM 0 HG2 LYS A 53 28.746 -10.450 -22.052 1.00 0.00 H new ATOM 0 HG3 LYS A 53 27.065 -10.290 -21.584 1.00 0.00 H new ATOM 0 HD2 LYS A 53 26.847 -8.161 -22.762 1.00 0.00 H new ATOM 0 HD3 LYS A 53 28.578 -8.049 -23.011 1.00 0.00 H new ATOM 0 HE2 LYS A 53 27.641 -8.823 -25.099 1.00 0.00 H new ATOM 0 HE3 LYS A 53 28.452 -10.200 -24.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 26.308 -10.837 -25.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 26.305 -10.933 -23.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 25.541 -9.632 -24.272 1.00 0.00 H new ATOM 293 N LEU A 54 28.909 -8.346 -17.544 1.00 0.00 N ATOM 294 CA LEU A 54 29.563 -7.578 -16.486 1.00 0.00 C ATOM 295 C LEU A 54 30.243 -8.513 -15.481 1.00 0.00 C ATOM 296 O LEU A 54 31.368 -8.253 -15.062 1.00 0.00 O ATOM 297 CB LEU A 54 28.529 -6.691 -15.782 1.00 0.00 C ATOM 298 CG LEU A 54 28.086 -5.545 -16.707 1.00 0.00 C ATOM 299 CD1 LEU A 54 26.859 -4.855 -16.104 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.219 -4.523 -16.864 1.00 0.00 C ATOM 0 H LEU A 54 27.906 -8.180 -17.623 1.00 0.00 H new ATOM 0 HA LEU A 54 30.332 -6.946 -16.930 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.664 -7.289 -15.493 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.955 -6.283 -14.865 1.00 0.00 H new ATOM 0 HG LEU A 54 27.839 -5.953 -17.687 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.542 -4.042 -16.757 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.049 -5.577 -16.003 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.112 -4.455 -15.122 1.00 0.00 H new ATOM 0 HD21 LEU A 54 28.893 -3.717 -17.521 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.477 -4.113 -15.888 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.093 -5.012 -17.295 1.00 0.00 H new ATOM 312 N VAL A 55 29.560 -9.596 -15.097 1.00 0.00 N ATOM 313 CA VAL A 55 30.098 -10.562 -14.148 1.00 0.00 C ATOM 314 C VAL A 55 31.390 -11.165 -14.698 1.00 0.00 C ATOM 315 O VAL A 55 32.359 -11.325 -13.964 1.00 0.00 O ATOM 316 CB VAL A 55 29.044 -11.652 -13.884 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.695 -12.874 -13.228 1.00 0.00 C ATOM 318 CG2 VAL A 55 27.965 -11.103 -12.949 1.00 0.00 C ATOM 0 H VAL A 55 28.625 -9.822 -15.436 1.00 0.00 H new ATOM 0 HA VAL A 55 30.332 -10.068 -13.205 1.00 0.00 H new ATOM 0 HB VAL A 55 28.601 -11.947 -14.835 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.938 -13.637 -13.047 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.464 -13.275 -13.889 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.148 -12.581 -12.281 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.218 -11.875 -12.762 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.420 -10.802 -12.005 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.487 -10.240 -13.412 1.00 0.00 H new ATOM 328 N GLU A 56 31.399 -11.500 -15.990 1.00 0.00 N ATOM 329 CA GLU A 56 32.565 -12.091 -16.629 1.00 0.00 C ATOM 330 C GLU A 56 33.697 -11.061 -16.729 1.00 0.00 C ATOM 331 O GLU A 56 34.861 -11.396 -16.520 1.00 0.00 O ATOM 332 CB GLU A 56 32.156 -12.598 -18.015 1.00 0.00 C ATOM 333 CG GLU A 56 33.259 -13.479 -18.604 1.00 0.00 C ATOM 334 CD GLU A 56 32.793 -14.119 -19.905 1.00 0.00 C ATOM 335 OE1 GLU A 56 32.155 -15.192 -19.813 1.00 0.00 O ATOM 336 OE2 GLU A 56 33.073 -13.522 -20.964 1.00 0.00 O ATOM 0 H GLU A 56 30.603 -11.369 -16.614 1.00 0.00 H new ATOM 0 HA GLU A 56 32.935 -12.927 -16.035 1.00 0.00 H new ATOM 0 HB2 GLU A 56 31.228 -13.165 -17.943 1.00 0.00 H new ATOM 0 HB3 GLU A 56 31.963 -11.753 -18.677 1.00 0.00 H new ATOM 0 HG2 GLU A 56 34.152 -12.881 -18.786 1.00 0.00 H new ATOM 0 HG3 GLU A 56 33.534 -14.254 -17.889 1.00 0.00 H new ATOM 343 N GLN A 57 33.348 -9.810 -17.055 1.00 0.00 N ATOM 344 CA GLN A 57 34.326 -8.742 -17.214 1.00 0.00 C ATOM 345 C GLN A 57 35.012 -8.428 -15.883 1.00 0.00 C ATOM 346 O GLN A 57 36.237 -8.443 -15.798 1.00 0.00 O ATOM 347 CB GLN A 57 33.613 -7.493 -17.756 1.00 0.00 C ATOM 348 CG GLN A 57 34.632 -6.389 -18.072 1.00 0.00 C ATOM 349 CD GLN A 57 35.638 -6.842 -19.127 1.00 0.00 C ATOM 350 OE1 GLN A 57 36.840 -6.840 -18.882 1.00 0.00 O ATOM 351 NE2 GLN A 57 35.143 -7.230 -20.302 1.00 0.00 N ATOM 0 H GLN A 57 32.384 -9.517 -17.214 1.00 0.00 H new ATOM 0 HA GLN A 57 35.096 -9.061 -17.916 1.00 0.00 H new ATOM 0 HB2 GLN A 57 33.053 -7.748 -18.656 1.00 0.00 H new ATOM 0 HB3 GLN A 57 32.892 -7.132 -17.023 1.00 0.00 H new ATOM 0 HG2 GLN A 57 34.109 -5.500 -18.424 1.00 0.00 H new ATOM 0 HG3 GLN A 57 35.160 -6.108 -17.161 1.00 0.00 H new ATOM 0 HE21 GLN A 57 34.136 -7.215 -20.461 1.00 0.00 H new ATOM 0 HE22 GLN A 57 35.772 -7.542 -21.042 1.00 0.00 H new ATOM 360 N ASN A 58 34.216 -8.124 -14.854 1.00 0.00 N ATOM 361 CA ASN A 58 34.739 -7.740 -13.551 1.00 0.00 C ATOM 362 C ASN A 58 35.126 -8.981 -12.753 1.00 0.00 C ATOM 363 O ASN A 58 36.297 -9.167 -12.427 1.00 0.00 O ATOM 364 CB ASN A 58 33.683 -6.912 -12.805 1.00 0.00 C ATOM 365 CG ASN A 58 33.384 -5.608 -13.546 1.00 0.00 C ATOM 366 OD1 ASN A 58 33.854 -4.543 -13.150 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.600 -5.695 -14.623 1.00 0.00 N ATOM 0 H ASN A 58 33.197 -8.139 -14.905 1.00 0.00 H new ATOM 0 HA ASN A 58 35.635 -7.132 -13.680 1.00 0.00 H new ATOM 0 HB2 ASN A 58 32.767 -7.493 -12.701 1.00 0.00 H new ATOM 0 HB3 ASN A 58 34.035 -6.689 -11.798 1.00 0.00 H new ATOM 0 HD21 ASN A 58 32.368 -4.856 -15.154 1.00 0.00 H new ATOM 0 HD22 ASN A 58 32.233 -6.601 -14.915 1.00 0.00 H new ATOM 374 N GLY A 59 34.141 -9.826 -12.436 1.00 0.00 N ATOM 375 CA GLY A 59 34.373 -11.041 -11.674 1.00 0.00 C ATOM 376 C GLY A 59 33.143 -11.376 -10.837 1.00 0.00 C ATOM 377 O GLY A 59 32.241 -10.552 -10.696 1.00 0.00 O ATOM 0 H GLY A 59 33.167 -9.682 -12.702 1.00 0.00 H new ATOM 0 HA2 GLY A 59 34.599 -11.866 -12.350 1.00 0.00 H new ATOM 0 HA3 GLY A 59 35.240 -10.913 -11.026 1.00 0.00 H new ATOM 381 N THR A 60 33.114 -12.591 -10.281 1.00 0.00 N ATOM 382 CA THR A 60 32.008 -13.042 -9.443 1.00 0.00 C ATOM 383 C THR A 60 32.257 -12.649 -7.983 1.00 0.00 C ATOM 384 O THR A 60 31.344 -12.724 -7.163 1.00 0.00 O ATOM 385 CB THR A 60 31.865 -14.564 -9.569 1.00 0.00 C ATOM 386 OG1 THR A 60 33.139 -15.171 -9.487 1.00 0.00 O ATOM 387 CG2 THR A 60 31.219 -14.918 -10.909 1.00 0.00 C ATOM 0 H THR A 60 33.854 -13.283 -10.400 1.00 0.00 H new ATOM 0 HA THR A 60 31.085 -12.566 -9.774 1.00 0.00 H new ATOM 0 HB THR A 60 31.235 -14.929 -8.758 1.00 0.00 H new ATOM 0 HG1 THR A 60 33.044 -16.143 -9.566 1.00 0.00 H new ATOM 0 HG21 THR A 60 31.121 -16.000 -10.991 1.00 0.00 H new ATOM 0 HG22 THR A 60 30.232 -14.459 -10.970 1.00 0.00 H new ATOM 0 HG23 THR A 60 31.843 -14.548 -11.723 1.00 0.00 H new ATOM 395 N ASP A 61 33.494 -12.238 -7.661 1.00 0.00 N ATOM 396 CA ASP A 61 33.858 -11.860 -6.305 1.00 0.00 C ATOM 397 C ASP A 61 33.061 -10.629 -5.868 1.00 0.00 C ATOM 398 O ASP A 61 32.193 -10.730 -5.000 1.00 0.00 O ATOM 399 CB ASP A 61 35.366 -11.593 -6.244 1.00 0.00 C ATOM 400 CG ASP A 61 35.793 -11.216 -4.831 1.00 0.00 C ATOM 401 OD1 ASP A 61 35.653 -12.087 -3.945 1.00 0.00 O ATOM 402 OD2 ASP A 61 36.253 -10.067 -4.664 1.00 0.00 O ATOM 0 H ASP A 61 34.257 -12.162 -8.334 1.00 0.00 H new ATOM 0 HA ASP A 61 33.618 -12.672 -5.619 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.910 -12.480 -6.568 1.00 0.00 H new ATOM 0 HB3 ASP A 61 35.626 -10.790 -6.934 1.00 0.00 H new ATOM 407 N ASP A 62 33.351 -9.466 -6.468 1.00 0.00 N ATOM 408 CA ASP A 62 32.649 -8.238 -6.130 1.00 0.00 C ATOM 409 C ASP A 62 31.250 -8.238 -6.720 1.00 0.00 C ATOM 410 O ASP A 62 30.964 -8.952 -7.682 1.00 0.00 O ATOM 411 CB ASP A 62 33.424 -7.009 -6.630 1.00 0.00 C ATOM 412 CG ASP A 62 33.758 -6.075 -5.475 1.00 0.00 C ATOM 413 OD1 ASP A 62 32.787 -5.582 -4.853 1.00 0.00 O ATOM 414 OD2 ASP A 62 34.965 -5.868 -5.237 1.00 0.00 O ATOM 0 H ASP A 62 34.066 -9.359 -7.187 1.00 0.00 H new ATOM 0 HA ASP A 62 32.574 -8.187 -5.044 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.342 -7.328 -7.123 1.00 0.00 H new ATOM 0 HB3 ASP A 62 32.831 -6.477 -7.374 1.00 0.00 H new ATOM 419 N TRP A 63 30.387 -7.414 -6.129 1.00 0.00 N ATOM 420 CA TRP A 63 29.015 -7.257 -6.576 1.00 0.00 C ATOM 421 C TRP A 63 28.613 -5.787 -6.500 1.00 0.00 C ATOM 422 O TRP A 63 27.793 -5.332 -7.295 1.00 0.00 O ATOM 423 CB TRP A 63 28.109 -8.145 -5.732 1.00 0.00 C ATOM 424 CG TRP A 63 28.179 -9.582 -6.124 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.701 -10.580 -5.393 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.747 -10.197 -7.370 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.632 -11.773 -6.074 1.00 0.00 N ATOM 428 CE2 TRP A 63 28.046 -11.594 -7.315 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.138 -9.716 -8.551 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.756 -12.461 -8.371 1.00 0.00 C ATOM 431 CZ3 TRP A 63 26.842 -10.586 -9.617 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.149 -11.956 -9.527 1.00 0.00 C ATOM 0 H TRP A 63 30.626 -6.836 -5.323 1.00 0.00 H new ATOM 0 HA TRP A 63 28.916 -7.568 -7.616 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.386 -8.046 -4.683 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.080 -7.798 -5.824 1.00 0.00 H new ATOM 0 HD1 TRP A 63 29.119 -10.462 -4.404 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.967 -12.667 -5.714 1.00 0.00 H new ATOM 0 HE3 TRP A 63 26.896 -8.667 -8.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 27.998 -13.511 -8.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.376 -10.199 -10.511 1.00 0.00 H new ATOM 0 HH2 TRP A 63 26.917 -12.617 -10.349 1.00 0.00 H new ATOM 443 N LYS A 64 29.202 -5.037 -5.560 1.00 0.00 N ATOM 444 CA LYS A 64 28.949 -3.614 -5.448 1.00 0.00 C ATOM 445 C LYS A 64 29.436 -2.928 -6.726 1.00 0.00 C ATOM 446 O LYS A 64 28.797 -1.999 -7.219 1.00 0.00 O ATOM 447 CB LYS A 64 29.679 -3.071 -4.210 1.00 0.00 C ATOM 448 CG LYS A 64 29.161 -1.669 -3.852 1.00 0.00 C ATOM 449 CD LYS A 64 27.849 -1.768 -3.057 1.00 0.00 C ATOM 450 CE LYS A 64 28.146 -2.063 -1.581 1.00 0.00 C ATOM 451 NZ LYS A 64 26.898 -2.177 -0.805 1.00 0.00 N ATOM 0 H LYS A 64 29.857 -5.403 -4.869 1.00 0.00 H new ATOM 0 HA LYS A 64 27.884 -3.416 -5.331 1.00 0.00 H new ATOM 0 HB2 LYS A 64 29.530 -3.746 -3.367 1.00 0.00 H new ATOM 0 HB3 LYS A 64 30.751 -3.031 -4.401 1.00 0.00 H new ATOM 0 HG2 LYS A 64 29.910 -1.137 -3.265 1.00 0.00 H new ATOM 0 HG3 LYS A 64 28.999 -1.091 -4.762 1.00 0.00 H new ATOM 0 HD2 LYS A 64 27.291 -0.836 -3.144 1.00 0.00 H new ATOM 0 HD3 LYS A 64 27.221 -2.555 -3.474 1.00 0.00 H new ATOM 0 HE2 LYS A 64 28.716 -2.989 -1.499 1.00 0.00 H new ATOM 0 HE3 LYS A 64 28.766 -1.269 -1.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 27.125 -2.377 0.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 26.368 -1.284 -0.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 26.319 -2.951 -1.190 1.00 0.00 H new ATOM 465 N VAL A 65 30.571 -3.403 -7.265 1.00 0.00 N ATOM 466 CA VAL A 65 31.137 -2.860 -8.491 1.00 0.00 C ATOM 467 C VAL A 65 30.127 -2.999 -9.630 1.00 0.00 C ATOM 468 O VAL A 65 29.920 -2.063 -10.399 1.00 0.00 O ATOM 469 CB VAL A 65 32.433 -3.619 -8.822 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.001 -3.128 -10.155 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.466 -3.388 -7.718 1.00 0.00 C ATOM 0 H VAL A 65 31.111 -4.168 -6.860 1.00 0.00 H new ATOM 0 HA VAL A 65 31.366 -1.802 -8.361 1.00 0.00 H new ATOM 0 HB VAL A 65 32.208 -4.683 -8.894 1.00 0.00 H new ATOM 0 HG11 VAL A 65 33.919 -3.671 -10.382 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.272 -3.301 -10.947 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.217 -2.062 -10.088 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.382 -3.928 -7.958 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.683 -2.323 -7.640 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.070 -3.748 -6.768 1.00 0.00 H new ATOM 481 N ILE A 66 29.504 -4.175 -9.733 1.00 0.00 N ATOM 482 CA ILE A 66 28.537 -4.455 -10.781 1.00 0.00 C ATOM 483 C ILE A 66 27.268 -3.629 -10.558 1.00 0.00 C ATOM 484 O ILE A 66 26.728 -3.049 -11.501 1.00 0.00 O ATOM 485 CB ILE A 66 28.234 -5.963 -10.791 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.529 -6.735 -11.111 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.171 -6.270 -11.853 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.354 -8.224 -10.825 1.00 0.00 C ATOM 0 H ILE A 66 29.659 -4.953 -9.092 1.00 0.00 H new ATOM 0 HA ILE A 66 28.944 -4.175 -11.752 1.00 0.00 H new ATOM 0 HB ILE A 66 27.858 -6.268 -9.815 1.00 0.00 H new ATOM 0 HG12 ILE A 66 29.796 -6.590 -12.158 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.351 -6.339 -10.515 1.00 0.00 H new ATOM 0 HG21 ILE A 66 26.959 -7.339 -11.857 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.258 -5.720 -11.624 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.539 -5.969 -12.834 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.280 -8.750 -11.058 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.110 -8.366 -9.772 1.00 0.00 H new ATOM 0 HD13 ILE A 66 28.547 -8.620 -11.441 1.00 0.00 H new ATOM 500 N ALA A 67 26.797 -3.578 -9.307 1.00 0.00 N ATOM 501 CA ALA A 67 25.591 -2.841 -8.956 1.00 0.00 C ATOM 502 C ALA A 67 25.727 -1.361 -9.321 1.00 0.00 C ATOM 503 O ALA A 67 24.739 -0.720 -9.658 1.00 0.00 O ATOM 504 CB ALA A 67 25.329 -3.000 -7.459 1.00 0.00 C ATOM 0 H ALA A 67 27.243 -4.046 -8.518 1.00 0.00 H new ATOM 0 HA ALA A 67 24.750 -3.244 -9.520 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.427 -2.451 -7.187 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.196 -4.056 -7.223 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.176 -2.607 -6.898 1.00 0.00 H new ATOM 510 N ASN A 68 26.949 -0.818 -9.253 1.00 0.00 N ATOM 511 CA ASN A 68 27.187 0.587 -9.574 1.00 0.00 C ATOM 512 C ASN A 68 26.897 0.867 -11.053 1.00 0.00 C ATOM 513 O ASN A 68 26.558 1.994 -11.406 1.00 0.00 O ATOM 514 CB ASN A 68 28.636 0.959 -9.235 1.00 0.00 C ATOM 515 CG ASN A 68 28.725 1.597 -7.854 1.00 0.00 C ATOM 516 OD1 ASN A 68 28.952 2.797 -7.736 1.00 0.00 O ATOM 517 ND2 ASN A 68 28.544 0.793 -6.808 1.00 0.00 N ATOM 0 H ASN A 68 27.785 -1.333 -8.978 1.00 0.00 H new ATOM 0 HA ASN A 68 26.511 1.199 -8.976 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.262 0.067 -9.269 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.023 1.649 -9.984 1.00 0.00 H new ATOM 0 HD21 ASN A 68 28.592 1.169 -5.861 1.00 0.00 H new ATOM 0 HD22 ASN A 68 28.358 -0.199 -6.954 1.00 0.00 H new ATOM 524 N TYR A 69 27.032 -0.149 -11.919 1.00 0.00 N ATOM 525 CA TYR A 69 26.802 0.029 -13.347 1.00 0.00 C ATOM 526 C TYR A 69 25.305 0.007 -13.653 1.00 0.00 C ATOM 527 O TYR A 69 24.799 0.902 -14.327 1.00 0.00 O ATOM 528 CB TYR A 69 27.514 -1.079 -14.134 1.00 0.00 C ATOM 529 CG TYR A 69 28.984 -1.246 -13.799 1.00 0.00 C ATOM 530 CD1 TYR A 69 29.808 -0.122 -13.590 1.00 0.00 C ATOM 531 CD2 TYR A 69 29.531 -2.537 -13.713 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.172 -0.296 -13.294 1.00 0.00 C ATOM 533 CE2 TYR A 69 30.892 -2.710 -13.418 1.00 0.00 C ATOM 534 CZ TYR A 69 31.714 -1.590 -13.210 1.00 0.00 C ATOM 535 OH TYR A 69 33.038 -1.759 -12.930 1.00 0.00 O ATOM 0 H TYR A 69 27.298 -1.096 -11.649 1.00 0.00 H new ATOM 0 HA TYR A 69 27.205 0.996 -13.647 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.003 -2.024 -13.949 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.419 -0.868 -15.199 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.392 0.873 -13.657 1.00 0.00 H new ATOM 0 HD2 TYR A 69 28.902 -3.400 -13.875 1.00 0.00 H new ATOM 0 HE1 TYR A 69 31.803 0.565 -13.131 1.00 0.00 H new ATOM 0 HE2 TYR A 69 31.308 -3.705 -13.351 1.00 0.00 H new ATOM 0 HH TYR A 69 33.272 -2.707 -13.014 1.00 0.00 H new ATOM 545 N LEU A 70 24.600 -1.021 -13.167 1.00 0.00 N ATOM 546 CA LEU A 70 23.174 -1.175 -13.431 1.00 0.00 C ATOM 547 C LEU A 70 22.365 -0.258 -12.497 1.00 0.00 C ATOM 548 O LEU A 70 22.490 -0.365 -11.281 1.00 0.00 O ATOM 549 CB LEU A 70 22.775 -2.641 -13.220 1.00 0.00 C ATOM 550 CG LEU A 70 23.595 -3.568 -14.136 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.262 -5.025 -13.806 1.00 0.00 C ATOM 552 CD2 LEU A 70 23.258 -3.293 -15.605 1.00 0.00 C ATOM 0 H LEU A 70 25.000 -1.759 -12.587 1.00 0.00 H new ATOM 0 HA LEU A 70 22.960 -0.892 -14.462 1.00 0.00 H new ATOM 0 HB2 LEU A 70 22.933 -2.919 -12.178 1.00 0.00 H new ATOM 0 HB3 LEU A 70 21.712 -2.767 -13.426 1.00 0.00 H new ATOM 0 HG LEU A 70 24.657 -3.382 -13.974 1.00 0.00 H new ATOM 0 HD11 LEU A 70 23.840 -5.686 -14.452 1.00 0.00 H new ATOM 0 HD12 LEU A 70 23.510 -5.228 -12.764 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.198 -5.200 -13.966 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.844 -3.955 -16.243 1.00 0.00 H new ATOM 0 HD22 LEU A 70 22.196 -3.472 -15.774 1.00 0.00 H new ATOM 0 HD23 LEU A 70 23.493 -2.256 -15.844 1.00 0.00 H new ATOM 564 N PRO A 71 21.530 0.649 -13.053 1.00 0.00 N ATOM 565 CA PRO A 71 20.731 1.559 -12.256 1.00 0.00 C ATOM 566 C PRO A 71 19.672 0.796 -11.456 1.00 0.00 C ATOM 567 O PRO A 71 19.130 -0.199 -11.932 1.00 0.00 O ATOM 568 CB PRO A 71 20.078 2.522 -13.251 1.00 0.00 C ATOM 569 CG PRO A 71 20.353 1.964 -14.652 1.00 0.00 C ATOM 570 CD PRO A 71 21.347 0.815 -14.482 1.00 0.00 C ATOM 0 HA PRO A 71 21.341 2.094 -11.528 1.00 0.00 H new ATOM 0 HB2 PRO A 71 19.006 2.598 -13.069 1.00 0.00 H new ATOM 0 HB3 PRO A 71 20.491 3.525 -13.146 1.00 0.00 H new ATOM 0 HG2 PRO A 71 19.431 1.613 -15.116 1.00 0.00 H new ATOM 0 HG3 PRO A 71 20.763 2.737 -15.302 1.00 0.00 H new ATOM 0 HD2 PRO A 71 20.966 -0.100 -14.935 1.00 0.00 H new ATOM 0 HD3 PRO A 71 22.294 1.043 -14.972 1.00 0.00 H new ATOM 578 N ASN A 72 19.381 1.282 -10.238 1.00 0.00 N ATOM 579 CA ASN A 72 18.373 0.687 -9.356 1.00 0.00 C ATOM 580 C ASN A 72 18.723 -0.767 -9.027 1.00 0.00 C ATOM 581 O ASN A 72 17.854 -1.639 -9.056 1.00 0.00 O ATOM 582 CB ASN A 72 16.986 0.782 -10.008 1.00 0.00 C ATOM 583 CG ASN A 72 16.659 2.220 -10.399 1.00 0.00 C ATOM 584 OD1 ASN A 72 16.661 2.561 -11.578 1.00 0.00 O ATOM 585 ND2 ASN A 72 16.378 3.063 -9.406 1.00 0.00 N ATOM 0 H ASN A 72 19.841 2.101 -9.840 1.00 0.00 H new ATOM 0 HA ASN A 72 18.358 1.243 -8.419 1.00 0.00 H new ATOM 0 HB2 ASN A 72 16.952 0.145 -10.892 1.00 0.00 H new ATOM 0 HB3 ASN A 72 16.230 0.409 -9.317 1.00 0.00 H new ATOM 0 HD21 ASN A 72 16.152 4.036 -9.612 1.00 0.00 H new ATOM 0 HD22 ASN A 72 16.388 2.735 -8.440 1.00 0.00 H new ATOM 592 N ARG A 73 19.997 -1.020 -8.707 1.00 0.00 N ATOM 593 CA ARG A 73 20.471 -2.352 -8.347 1.00 0.00 C ATOM 594 C ARG A 73 21.411 -2.239 -7.155 1.00 0.00 C ATOM 595 O ARG A 73 21.998 -1.184 -6.916 1.00 0.00 O ATOM 596 CB ARG A 73 21.189 -2.992 -9.539 1.00 0.00 C ATOM 597 CG ARG A 73 20.209 -3.240 -10.694 1.00 0.00 C ATOM 598 CD ARG A 73 19.241 -4.374 -10.345 1.00 0.00 C ATOM 599 NE ARG A 73 18.355 -4.660 -11.482 1.00 0.00 N ATOM 600 CZ ARG A 73 17.060 -4.293 -11.540 1.00 0.00 C ATOM 601 NH1 ARG A 73 16.538 -3.470 -10.619 1.00 0.00 N ATOM 602 NH2 ARG A 73 16.288 -4.751 -12.530 1.00 0.00 N ATOM 0 H ARG A 73 20.724 -0.305 -8.692 1.00 0.00 H new ATOM 0 HA ARG A 73 19.625 -2.985 -8.078 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.997 -2.342 -9.875 1.00 0.00 H new ATOM 0 HB3 ARG A 73 21.644 -3.934 -9.233 1.00 0.00 H new ATOM 0 HG2 ARG A 73 19.649 -2.329 -10.905 1.00 0.00 H new ATOM 0 HG3 ARG A 73 20.761 -3.492 -11.599 1.00 0.00 H new ATOM 0 HD2 ARG A 73 19.802 -5.270 -10.078 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.647 -4.098 -9.473 1.00 0.00 H new ATOM 0 HE ARG A 73 18.745 -5.168 -12.276 1.00 0.00 H new ATOM 0 HH11 ARG A 73 17.123 -3.114 -9.863 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.556 -3.200 -10.674 1.00 0.00 H new ATOM 0 HH21 ARG A 73 16.680 -5.374 -13.236 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.307 -4.477 -12.580 1.00 0.00 H new ATOM 616 N THR A 74 21.544 -3.336 -6.410 1.00 0.00 N ATOM 617 CA THR A 74 22.401 -3.397 -5.238 1.00 0.00 C ATOM 618 C THR A 74 23.204 -4.691 -5.305 1.00 0.00 C ATOM 619 O THR A 74 22.838 -5.600 -6.044 1.00 0.00 O ATOM 620 CB THR A 74 21.522 -3.341 -3.979 1.00 0.00 C ATOM 621 OG1 THR A 74 20.640 -2.242 -4.074 1.00 0.00 O ATOM 622 CG2 THR A 74 22.388 -3.182 -2.727 1.00 0.00 C ATOM 0 H THR A 74 21.055 -4.209 -6.608 1.00 0.00 H new ATOM 0 HA THR A 74 23.094 -2.556 -5.204 1.00 0.00 H new ATOM 0 HB THR A 74 20.958 -4.270 -3.904 1.00 0.00 H new ATOM 0 HG1 THR A 74 20.077 -2.204 -3.273 1.00 0.00 H new ATOM 0 HG21 THR A 74 21.749 -3.144 -1.845 1.00 0.00 H new ATOM 0 HG22 THR A 74 23.069 -4.029 -2.646 1.00 0.00 H new ATOM 0 HG23 THR A 74 22.964 -2.259 -2.798 1.00 0.00 H new ATOM 630 N ASP A 75 24.297 -4.775 -4.543 1.00 0.00 N ATOM 631 CA ASP A 75 25.143 -5.961 -4.534 1.00 0.00 C ATOM 632 C ASP A 75 24.313 -7.203 -4.198 1.00 0.00 C ATOM 633 O ASP A 75 24.449 -8.233 -4.856 1.00 0.00 O ATOM 634 CB ASP A 75 26.284 -5.770 -3.524 1.00 0.00 C ATOM 635 CG ASP A 75 25.770 -5.256 -2.184 1.00 0.00 C ATOM 636 OD1 ASP A 75 25.442 -4.048 -2.128 1.00 0.00 O ATOM 637 OD2 ASP A 75 25.717 -6.071 -1.244 1.00 0.00 O ATOM 0 H ASP A 75 24.614 -4.030 -3.923 1.00 0.00 H new ATOM 0 HA ASP A 75 25.575 -6.106 -5.524 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.802 -6.718 -3.376 1.00 0.00 H new ATOM 0 HB3 ASP A 75 27.014 -5.068 -3.928 1.00 0.00 H new ATOM 642 N VAL A 76 23.452 -7.101 -3.178 1.00 0.00 N ATOM 643 CA VAL A 76 22.610 -8.212 -2.757 1.00 0.00 C ATOM 644 C VAL A 76 21.691 -8.646 -3.903 1.00 0.00 C ATOM 645 O VAL A 76 21.604 -9.830 -4.210 1.00 0.00 O ATOM 646 CB VAL A 76 21.782 -7.793 -1.530 1.00 0.00 C ATOM 647 CG1 VAL A 76 20.934 -8.977 -1.051 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.715 -7.349 -0.398 1.00 0.00 C ATOM 0 H VAL A 76 23.325 -6.251 -2.629 1.00 0.00 H new ATOM 0 HA VAL A 76 23.241 -9.059 -2.487 1.00 0.00 H new ATOM 0 HB VAL A 76 21.130 -6.965 -1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.349 -8.677 -0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.262 -9.290 -1.850 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.587 -9.806 -0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 76 22.122 -7.054 0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.372 -8.174 -0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.315 -6.503 -0.732 1.00 0.00 H new ATOM 658 N GLN A 77 21.002 -7.682 -4.527 1.00 0.00 N ATOM 659 CA GLN A 77 20.067 -7.966 -5.613 1.00 0.00 C ATOM 660 C GLN A 77 20.795 -8.586 -6.804 1.00 0.00 C ATOM 661 O GLN A 77 20.354 -9.604 -7.336 1.00 0.00 O ATOM 662 CB GLN A 77 19.364 -6.669 -6.034 1.00 0.00 C ATOM 663 CG GLN A 77 18.085 -6.472 -5.215 1.00 0.00 C ATOM 664 CD GLN A 77 18.388 -6.395 -3.721 1.00 0.00 C ATOM 665 OE1 GLN A 77 18.768 -5.343 -3.218 1.00 0.00 O ATOM 666 NE2 GLN A 77 18.220 -7.512 -3.012 1.00 0.00 N ATOM 0 H GLN A 77 21.079 -6.692 -4.293 1.00 0.00 H new ATOM 0 HA GLN A 77 19.324 -8.682 -5.262 1.00 0.00 H new ATOM 0 HB2 GLN A 77 20.032 -5.820 -5.888 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.123 -6.706 -7.096 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.584 -5.558 -5.534 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.398 -7.296 -5.407 1.00 0.00 H new ATOM 0 HE21 GLN A 77 17.902 -8.365 -3.472 1.00 0.00 H new ATOM 0 HE22 GLN A 77 18.409 -7.513 -2.010 1.00 0.00 H new ATOM 675 N CYS A 78 21.901 -7.970 -7.226 1.00 0.00 N ATOM 676 CA CYS A 78 22.664 -8.454 -8.364 1.00 0.00 C ATOM 677 C CYS A 78 23.125 -9.889 -8.104 1.00 0.00 C ATOM 678 O CYS A 78 22.933 -10.771 -8.943 1.00 0.00 O ATOM 679 CB CYS A 78 23.874 -7.550 -8.602 1.00 0.00 C ATOM 680 SG CYS A 78 23.319 -6.003 -9.351 1.00 0.00 S ATOM 0 H CYS A 78 22.285 -7.131 -6.790 1.00 0.00 H new ATOM 0 HA CYS A 78 22.032 -8.439 -9.252 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.385 -7.350 -7.660 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.592 -8.047 -9.254 1.00 0.00 H new ATOM 0 HG CYS A 78 23.262 -5.076 -8.441 1.00 0.00 H new ATOM 686 N GLN A 79 23.738 -10.114 -6.932 1.00 0.00 N ATOM 687 CA GLN A 79 24.235 -11.426 -6.554 1.00 0.00 C ATOM 688 C GLN A 79 23.092 -12.436 -6.533 1.00 0.00 C ATOM 689 O GLN A 79 23.226 -13.523 -7.082 1.00 0.00 O ATOM 690 CB GLN A 79 24.907 -11.339 -5.181 1.00 0.00 C ATOM 691 CG GLN A 79 25.489 -12.704 -4.803 1.00 0.00 C ATOM 692 CD GLN A 79 26.392 -12.596 -3.579 1.00 0.00 C ATOM 693 OE1 GLN A 79 26.125 -11.812 -2.674 1.00 0.00 O ATOM 694 NE2 GLN A 79 27.465 -13.387 -3.554 1.00 0.00 N ATOM 0 H GLN A 79 23.898 -9.391 -6.231 1.00 0.00 H new ATOM 0 HA GLN A 79 24.970 -11.761 -7.286 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.697 -10.589 -5.199 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.183 -11.021 -4.431 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.679 -13.405 -4.600 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.056 -13.106 -5.643 1.00 0.00 H new ATOM 0 HE21 GLN A 79 27.647 -14.024 -4.330 1.00 0.00 H new ATOM 0 HE22 GLN A 79 28.104 -13.355 -2.759 1.00 0.00 H new ATOM 703 N HIS A 80 21.971 -12.076 -5.897 1.00 0.00 N ATOM 704 CA HIS A 80 20.816 -12.957 -5.811 1.00 0.00 C ATOM 705 C HIS A 80 20.364 -13.363 -7.204 1.00 0.00 C ATOM 706 O HIS A 80 20.145 -14.538 -7.459 1.00 0.00 O ATOM 707 CB HIS A 80 19.672 -12.251 -5.072 1.00 0.00 C ATOM 708 CG HIS A 80 19.673 -12.513 -3.589 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.656 -12.066 -2.756 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.539 -13.183 -2.758 1.00 0.00 C ATOM 711 CE1 HIS A 80 18.961 -12.480 -1.512 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.100 -13.170 -1.443 1.00 0.00 N ATOM 0 H HIS A 80 21.846 -11.175 -5.435 1.00 0.00 H new ATOM 0 HA HIS A 80 21.096 -13.853 -5.257 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.744 -11.177 -5.245 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.721 -12.578 -5.492 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.449 -13.661 -3.089 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.342 -12.273 -0.652 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.541 -13.587 -0.623 1.00 0.00 H new ATOM 720 N ARG A 81 20.217 -12.397 -8.107 1.00 0.00 N ATOM 721 CA ARG A 81 19.766 -12.692 -9.451 1.00 0.00 C ATOM 722 C ARG A 81 20.684 -13.727 -10.099 1.00 0.00 C ATOM 723 O ARG A 81 20.205 -14.698 -10.679 1.00 0.00 O ATOM 724 CB ARG A 81 19.724 -11.404 -10.284 1.00 0.00 C ATOM 725 CG ARG A 81 19.316 -11.719 -11.735 1.00 0.00 C ATOM 726 CD ARG A 81 17.935 -12.386 -11.765 1.00 0.00 C ATOM 727 NE ARG A 81 17.439 -12.522 -13.140 1.00 0.00 N ATOM 728 CZ ARG A 81 16.303 -13.172 -13.442 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.515 -13.639 -12.461 1.00 0.00 N ATOM 730 NH2 ARG A 81 15.952 -13.351 -14.721 1.00 0.00 N ATOM 0 H ARG A 81 20.404 -11.410 -7.928 1.00 0.00 H new ATOM 0 HA ARG A 81 18.759 -13.108 -9.407 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.016 -10.701 -9.844 1.00 0.00 H new ATOM 0 HB3 ARG A 81 20.702 -10.922 -10.270 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.297 -10.801 -12.322 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.055 -12.376 -12.194 1.00 0.00 H new ATOM 0 HD2 ARG A 81 17.993 -13.369 -11.298 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.231 -11.796 -11.179 1.00 0.00 H new ATOM 0 HE ARG A 81 17.980 -12.105 -13.898 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.779 -13.500 -11.485 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.652 -14.132 -12.691 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.547 -12.994 -15.468 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.089 -13.845 -14.949 1.00 0.00 H new ATOM 744 N TRP A 82 22.003 -13.521 -10.014 1.00 0.00 N ATOM 745 CA TRP A 82 22.941 -14.417 -10.661 1.00 0.00 C ATOM 746 C TRP A 82 23.115 -15.728 -9.887 1.00 0.00 C ATOM 747 O TRP A 82 22.743 -16.785 -10.389 1.00 0.00 O ATOM 748 CB TRP A 82 24.290 -13.729 -10.851 1.00 0.00 C ATOM 749 CG TRP A 82 25.213 -14.518 -11.717 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.235 -15.275 -11.292 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.178 -14.693 -13.163 1.00 0.00 C ATOM 752 NE1 TRP A 82 26.838 -15.919 -12.341 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.223 -15.594 -13.535 1.00 0.00 C ATOM 754 CE3 TRP A 82 24.362 -14.195 -14.205 1.00 0.00 C ATOM 755 CZ2 TRP A 82 26.443 -15.980 -14.860 1.00 0.00 C ATOM 756 CZ3 TRP A 82 24.579 -14.585 -15.541 1.00 0.00 C ATOM 757 CH2 TRP A 82 25.614 -15.480 -15.865 1.00 0.00 C ATOM 0 H TRP A 82 22.432 -12.747 -9.507 1.00 0.00 H new ATOM 0 HA TRP A 82 22.527 -14.669 -11.637 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.134 -12.745 -11.293 1.00 0.00 H new ATOM 0 HB3 TRP A 82 24.755 -13.571 -9.878 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.542 -15.365 -10.261 1.00 0.00 H new ATOM 0 HE1 TRP A 82 27.633 -16.552 -12.252 1.00 0.00 H new ATOM 0 HE3 TRP A 82 23.562 -13.507 -13.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 27.247 -16.659 -15.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 23.945 -14.193 -16.323 1.00 0.00 H new ATOM 0 HH2 TRP A 82 25.767 -15.780 -16.891 1.00 0.00 H new ATOM 768 N GLN A 83 23.698 -15.663 -8.678 1.00 0.00 N ATOM 769 CA GLN A 83 24.009 -16.857 -7.885 1.00 0.00 C ATOM 770 C GLN A 83 22.755 -17.460 -7.237 1.00 0.00 C ATOM 771 O GLN A 83 22.793 -17.864 -6.075 1.00 0.00 O ATOM 772 CB GLN A 83 25.042 -16.495 -6.809 1.00 0.00 C ATOM 773 CG GLN A 83 26.326 -15.983 -7.466 1.00 0.00 C ATOM 774 CD GLN A 83 27.473 -15.941 -6.461 1.00 0.00 C ATOM 775 OE1 GLN A 83 27.865 -14.872 -6.002 1.00 0.00 O ATOM 776 NE2 GLN A 83 28.012 -17.111 -6.118 1.00 0.00 N ATOM 0 H GLN A 83 23.964 -14.787 -8.229 1.00 0.00 H new ATOM 0 HA GLN A 83 24.419 -17.613 -8.555 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.635 -15.733 -6.145 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.261 -17.369 -6.195 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.594 -16.629 -8.302 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.158 -14.986 -7.874 1.00 0.00 H new ATOM 0 HE21 GLN A 83 27.655 -17.976 -6.524 1.00 0.00 H new ATOM 0 HE22 GLN A 83 28.782 -17.141 -5.449 1.00 0.00 H new ATOM 785 N LYS A 84 21.655 -17.534 -7.987 1.00 0.00 N ATOM 786 CA LYS A 84 20.424 -18.137 -7.497 1.00 0.00 C ATOM 787 C LYS A 84 19.497 -18.508 -8.665 1.00 0.00 C ATOM 788 O LYS A 84 18.581 -19.307 -8.479 1.00 0.00 O ATOM 789 CB LYS A 84 19.723 -17.174 -6.525 1.00 0.00 C ATOM 790 CG LYS A 84 19.051 -17.954 -5.389 1.00 0.00 C ATOM 791 CD LYS A 84 20.099 -18.358 -4.342 1.00 0.00 C ATOM 792 CE LYS A 84 19.412 -19.010 -3.137 1.00 0.00 C ATOM 793 NZ LYS A 84 18.658 -18.017 -2.349 1.00 0.00 N ATOM 0 H LYS A 84 21.596 -17.180 -8.942 1.00 0.00 H new ATOM 0 HA LYS A 84 20.669 -19.055 -6.963 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.448 -16.472 -6.113 1.00 0.00 H new ATOM 0 HB3 LYS A 84 18.978 -16.585 -7.061 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.277 -17.343 -4.925 1.00 0.00 H new ATOM 0 HG3 LYS A 84 18.560 -18.842 -5.787 1.00 0.00 H new ATOM 0 HD2 LYS A 84 20.816 -19.052 -4.782 1.00 0.00 H new ATOM 0 HD3 LYS A 84 20.661 -17.481 -4.020 1.00 0.00 H new ATOM 0 HE2 LYS A 84 18.737 -19.794 -3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 84 20.160 -19.488 -2.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 18.405 -18.425 -1.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 19.245 -17.171 -2.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 17.792 -17.753 -2.860 1.00 0.00 H new ATOM 807 N VAL A 85 19.724 -17.927 -9.868 1.00 0.00 N ATOM 808 CA VAL A 85 18.879 -18.200 -11.028 1.00 0.00 C ATOM 809 C VAL A 85 19.746 -18.536 -12.248 1.00 0.00 C ATOM 810 O VAL A 85 19.627 -19.625 -12.805 1.00 0.00 O ATOM 811 CB VAL A 85 17.977 -16.982 -11.309 1.00 0.00 C ATOM 812 CG1 VAL A 85 16.916 -17.359 -12.347 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.282 -16.528 -10.018 1.00 0.00 C ATOM 0 H VAL A 85 20.484 -17.271 -10.048 1.00 0.00 H new ATOM 0 HA VAL A 85 18.244 -19.061 -10.819 1.00 0.00 H new ATOM 0 HB VAL A 85 18.593 -16.167 -11.689 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.279 -16.497 -12.545 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.405 -17.669 -13.271 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.309 -18.179 -11.965 1.00 0.00 H new ATOM 0 HG21 VAL A 85 16.648 -15.667 -10.230 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.671 -17.342 -9.628 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.033 -16.252 -9.278 1.00 0.00 H new ATOM 823 N LEU A 86 20.615 -17.602 -12.669 1.00 0.00 N ATOM 824 CA LEU A 86 21.466 -17.818 -13.838 1.00 0.00 C ATOM 825 C LEU A 86 22.575 -18.812 -13.500 1.00 0.00 C ATOM 826 O LEU A 86 23.202 -18.714 -12.448 1.00 0.00 O ATOM 827 CB LEU A 86 22.097 -16.492 -14.300 1.00 0.00 C ATOM 828 CG LEU A 86 21.098 -15.591 -15.061 1.00 0.00 C ATOM 829 CD1 LEU A 86 20.385 -16.376 -16.168 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.071 -14.999 -14.097 1.00 0.00 C ATOM 0 H LEU A 86 20.742 -16.697 -12.216 1.00 0.00 H new ATOM 0 HA LEU A 86 20.848 -18.218 -14.642 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.478 -15.953 -13.432 1.00 0.00 H new ATOM 0 HB3 LEU A 86 22.951 -16.705 -14.943 1.00 0.00 H new ATOM 0 HG LEU A 86 21.661 -14.779 -15.521 1.00 0.00 H new ATOM 0 HD11 LEU A 86 19.688 -15.719 -16.688 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.121 -16.757 -16.876 1.00 0.00 H new ATOM 0 HD13 LEU A 86 19.838 -17.210 -15.728 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.375 -14.367 -14.649 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.521 -15.805 -13.611 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.582 -14.402 -13.342 1.00 0.00 H new