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= -0.819 K(o=-0.93,f=-3.5!) USER MOD Set 1.2: A 80 HIS : no HD1:sc= -0.166 X(o=-0.93,f=-1.3) USER MOD Set 1.3: A 84 LYS NZ :NH3+ -157:sc= 0.05 (180deg=-0.213) USER MOD Set 2.1: A 74 THR OG1 : rot 180:sc= 0.765 USER MOD Set 2.2: A 77 GLN : amide:sc= -0.127 K(o=0.64,f=1.2) USER MOD Single : A 44 THR OG1 : rot 180:sc=-0.00595 USER MOD Single : A 50 LYS NZ :NH3+ 164:sc= 1.11 (180deg=0.898) USER MOD Single : A 52 LYS NZ :NH3+ 153:sc= 0.787 (180deg=-1.21!) USER MOD Single : A 53 LYS NZ :NH3+ -162:sc= 0.907 (180deg=0.225) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= 0.932 K(o=0.93,f=-0.2) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0.989 K(o=0.99,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.88 K(o=0.88,f=-0.22) USER MOD Single : A 78 CYS SG : rot 88:sc= 0.61 USER MOD Single : A 83 GLN : amide:sc= -0.21 X(o=-0.21,f=0) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.079 -8.606 -12.975 1.00 0.00 N ATOM 90 CA TRP A 43 14.198 -8.742 -13.894 1.00 0.00 C ATOM 91 C TRP A 43 13.686 -8.910 -15.323 1.00 0.00 C ATOM 92 O TRP A 43 12.508 -9.198 -15.539 1.00 0.00 O ATOM 93 CB TRP A 43 15.055 -9.939 -13.475 1.00 0.00 C ATOM 94 CG TRP A 43 15.985 -9.655 -12.340 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.686 -9.753 -11.035 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.372 -9.208 -12.386 1.00 0.00 C ATOM 97 NE1 TRP A 43 16.763 -9.402 -10.255 1.00 0.00 N ATOM 98 CE2 TRP A 43 17.844 -9.052 -11.044 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.285 -8.914 -13.423 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.145 -8.627 -10.752 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.595 -8.482 -13.136 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.025 -8.342 -11.802 1.00 0.00 C ATOM 0 HA TRP A 43 14.812 -7.842 -13.860 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.398 -10.763 -13.195 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.638 -10.273 -14.333 1.00 0.00 H new ATOM 0 HD1 TRP A 43 14.727 -10.066 -10.649 1.00 0.00 H new ATOM 0 HE1 TRP A 43 16.764 -9.400 -9.235 1.00 0.00 H new ATOM 0 HE3 TRP A 43 17.974 -9.022 -14.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.467 -8.520 -9.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.274 -8.257 -13.945 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.032 -8.015 -11.590 1.00 0.00 H new ATOM 113 N THR A 44 14.583 -8.728 -16.298 1.00 0.00 N ATOM 114 CA THR A 44 14.245 -8.859 -17.705 1.00 0.00 C ATOM 115 C THR A 44 15.497 -9.260 -18.485 1.00 0.00 C ATOM 116 O THR A 44 16.609 -9.164 -17.964 1.00 0.00 O ATOM 117 CB THR A 44 13.653 -7.536 -18.221 1.00 0.00 C ATOM 118 OG1 THR A 44 13.183 -7.712 -19.542 1.00 0.00 O ATOM 119 CG2 THR A 44 14.715 -6.433 -18.204 1.00 0.00 C ATOM 0 H THR A 44 15.559 -8.487 -16.127 1.00 0.00 H new ATOM 0 HA THR A 44 13.492 -9.635 -17.844 1.00 0.00 H new ATOM 0 HB THR A 44 12.829 -7.244 -17.571 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.804 -6.869 -19.870 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.280 -5.504 -18.572 1.00 0.00 H new ATOM 0 HG22 THR A 44 15.072 -6.288 -17.185 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.549 -6.721 -18.843 1.00 0.00 H new ATOM 127 N ARG A 45 15.307 -9.717 -19.730 1.00 0.00 N ATOM 128 CA ARG A 45 16.404 -10.183 -20.572 1.00 0.00 C ATOM 129 C ARG A 45 17.535 -9.154 -20.623 1.00 0.00 C ATOM 130 O ARG A 45 18.694 -9.516 -20.487 1.00 0.00 O ATOM 131 CB ARG A 45 15.881 -10.474 -21.988 1.00 0.00 C ATOM 132 CG ARG A 45 16.115 -11.949 -22.335 1.00 0.00 C ATOM 133 CD ARG A 45 15.995 -12.153 -23.847 1.00 0.00 C ATOM 134 NE ARG A 45 17.196 -11.660 -24.532 1.00 0.00 N ATOM 135 CZ ARG A 45 17.456 -11.892 -25.829 1.00 0.00 C ATOM 136 NH1 ARG A 45 16.523 -12.449 -26.614 1.00 0.00 N ATOM 137 NH2 ARG A 45 18.651 -11.566 -26.337 1.00 0.00 N ATOM 0 H ARG A 45 14.391 -9.772 -20.175 1.00 0.00 H new ATOM 0 HA ARG A 45 16.807 -11.100 -20.141 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.818 -10.241 -22.048 1.00 0.00 H new ATOM 0 HB3 ARG A 45 16.388 -9.836 -22.711 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.103 -12.260 -21.995 1.00 0.00 H new ATOM 0 HG3 ARG A 45 15.388 -12.574 -21.816 1.00 0.00 H new ATOM 0 HD2 ARG A 45 15.853 -13.211 -24.066 1.00 0.00 H new ATOM 0 HD3 ARG A 45 15.115 -11.629 -24.221 1.00 0.00 H new ATOM 0 HE ARG A 45 17.868 -11.113 -23.995 1.00 0.00 H new ATOM 0 HH11 ARG A 45 15.613 -12.698 -26.227 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.723 -12.624 -27.599 1.00 0.00 H new ATOM 0 HH21 ARG A 45 19.361 -11.143 -25.739 1.00 0.00 H new ATOM 0 HH22 ARG A 45 18.852 -11.741 -27.322 1.00 0.00 H new ATOM 151 N GLU A 46 17.196 -7.876 -20.826 1.00 0.00 N ATOM 152 CA GLU A 46 18.194 -6.816 -20.923 1.00 0.00 C ATOM 153 C GLU A 46 19.080 -6.796 -19.670 1.00 0.00 C ATOM 154 O GLU A 46 20.302 -6.904 -19.772 1.00 0.00 O ATOM 155 CB GLU A 46 17.477 -5.470 -21.122 1.00 0.00 C ATOM 156 CG GLU A 46 18.440 -4.432 -21.718 1.00 0.00 C ATOM 157 CD GLU A 46 19.478 -3.972 -20.698 1.00 0.00 C ATOM 158 OE1 GLU A 46 19.057 -3.629 -19.572 1.00 0.00 O ATOM 159 OE2 GLU A 46 20.673 -3.972 -21.065 1.00 0.00 O ATOM 0 H GLU A 46 16.233 -7.554 -20.926 1.00 0.00 H new ATOM 0 HA GLU A 46 18.844 -7.000 -21.778 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.620 -5.602 -21.783 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.092 -5.112 -20.167 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.946 -4.860 -22.584 1.00 0.00 H new ATOM 0 HG3 GLU A 46 17.873 -3.572 -22.073 1.00 0.00 H new ATOM 166 N GLU A 47 18.460 -6.655 -18.493 1.00 0.00 N ATOM 167 CA GLU A 47 19.187 -6.585 -17.231 1.00 0.00 C ATOM 168 C GLU A 47 20.012 -7.861 -17.012 1.00 0.00 C ATOM 169 O GLU A 47 21.154 -7.787 -16.565 1.00 0.00 O ATOM 170 CB GLU A 47 18.183 -6.379 -16.088 1.00 0.00 C ATOM 171 CG GLU A 47 18.880 -5.768 -14.865 1.00 0.00 C ATOM 172 CD GLU A 47 18.626 -4.266 -14.777 1.00 0.00 C ATOM 173 OE1 GLU A 47 17.579 -3.903 -14.199 1.00 0.00 O ATOM 174 OE2 GLU A 47 19.483 -3.507 -15.286 1.00 0.00 O ATOM 0 H GLU A 47 17.447 -6.587 -18.394 1.00 0.00 H new ATOM 0 HA GLU A 47 19.881 -5.745 -17.255 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.376 -5.725 -16.418 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.730 -7.333 -15.817 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.520 -6.254 -13.958 1.00 0.00 H new ATOM 0 HG3 GLU A 47 19.952 -5.955 -14.923 1.00 0.00 H new ATOM 181 N ASP A 48 19.430 -9.030 -17.322 1.00 0.00 N ATOM 182 CA ASP A 48 20.109 -10.310 -17.137 1.00 0.00 C ATOM 183 C ASP A 48 21.341 -10.401 -18.040 1.00 0.00 C ATOM 184 O ASP A 48 22.438 -10.679 -17.562 1.00 0.00 O ATOM 185 CB ASP A 48 19.133 -11.456 -17.438 1.00 0.00 C ATOM 186 CG ASP A 48 18.129 -11.643 -16.305 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.572 -11.620 -15.139 1.00 0.00 O ATOM 188 OD2 ASP A 48 16.931 -11.811 -16.621 1.00 0.00 O ATOM 0 H ASP A 48 18.487 -9.109 -17.703 1.00 0.00 H new ATOM 0 HA ASP A 48 20.444 -10.390 -16.103 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.602 -11.249 -18.367 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.690 -12.381 -17.589 1.00 0.00 H new ATOM 193 N GLU A 49 21.162 -10.171 -19.343 1.00 0.00 N ATOM 194 CA GLU A 49 22.259 -10.227 -20.301 1.00 0.00 C ATOM 195 C GLU A 49 23.341 -9.223 -19.909 1.00 0.00 C ATOM 196 O GLU A 49 24.533 -9.522 -20.000 1.00 0.00 O ATOM 197 CB GLU A 49 21.727 -9.926 -21.707 1.00 0.00 C ATOM 198 CG GLU A 49 20.933 -11.127 -22.229 1.00 0.00 C ATOM 199 CD GLU A 49 20.239 -10.788 -23.543 1.00 0.00 C ATOM 200 OE1 GLU A 49 19.189 -10.117 -23.475 1.00 0.00 O ATOM 201 OE2 GLU A 49 20.767 -11.207 -24.595 1.00 0.00 O ATOM 0 H GLU A 49 20.258 -9.943 -19.757 1.00 0.00 H new ATOM 0 HA GLU A 49 22.697 -11.225 -20.298 1.00 0.00 H new ATOM 0 HB2 GLU A 49 21.092 -9.041 -21.684 1.00 0.00 H new ATOM 0 HB3 GLU A 49 22.556 -9.706 -22.380 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.602 -11.975 -22.374 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.192 -11.428 -21.488 1.00 0.00 H new ATOM 208 N LYS A 50 22.924 -8.032 -19.474 1.00 0.00 N ATOM 209 CA LYS A 50 23.849 -6.995 -19.052 1.00 0.00 C ATOM 210 C LYS A 50 24.639 -7.481 -17.834 1.00 0.00 C ATOM 211 O LYS A 50 25.858 -7.317 -17.780 1.00 0.00 O ATOM 212 CB LYS A 50 23.053 -5.723 -18.743 1.00 0.00 C ATOM 213 CG LYS A 50 23.985 -4.616 -18.238 1.00 0.00 C ATOM 214 CD LYS A 50 23.376 -3.235 -18.540 1.00 0.00 C ATOM 215 CE LYS A 50 21.931 -3.150 -18.024 1.00 0.00 C ATOM 216 NZ LYS A 50 21.859 -3.374 -16.573 1.00 0.00 N ATOM 0 H LYS A 50 21.941 -7.767 -19.407 1.00 0.00 H new ATOM 0 HA LYS A 50 24.565 -6.770 -19.842 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.531 -5.387 -19.639 1.00 0.00 H new ATOM 0 HB3 LYS A 50 22.292 -5.936 -17.992 1.00 0.00 H new ATOM 0 HG2 LYS A 50 24.145 -4.725 -17.165 1.00 0.00 H new ATOM 0 HG3 LYS A 50 24.961 -4.705 -18.716 1.00 0.00 H new ATOM 0 HD2 LYS A 50 23.980 -2.457 -18.073 1.00 0.00 H new ATOM 0 HD3 LYS A 50 23.394 -3.052 -19.614 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.516 -2.171 -18.262 1.00 0.00 H new ATOM 0 HE3 LYS A 50 21.317 -3.890 -18.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.938 -3.049 -16.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 21.969 -4.389 -16.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 22.619 -2.843 -16.102 1.00 0.00 H new ATOM 230 N LEU A 51 23.942 -8.088 -16.862 1.00 0.00 N ATOM 231 CA LEU A 51 24.581 -8.610 -15.665 1.00 0.00 C ATOM 232 C LEU A 51 25.609 -9.667 -16.055 1.00 0.00 C ATOM 233 O LEU A 51 26.736 -9.632 -15.579 1.00 0.00 O ATOM 234 CB LEU A 51 23.514 -9.199 -14.725 1.00 0.00 C ATOM 235 CG LEU A 51 24.167 -9.774 -13.455 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.739 -8.642 -12.600 1.00 0.00 C ATOM 237 CD2 LEU A 51 23.119 -10.534 -12.641 1.00 0.00 C ATOM 0 H LEU A 51 22.932 -8.225 -16.891 1.00 0.00 H new ATOM 0 HA LEU A 51 25.096 -7.806 -15.139 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.795 -8.426 -14.453 1.00 0.00 H new ATOM 0 HB3 LEU A 51 22.959 -9.982 -15.242 1.00 0.00 H new ATOM 0 HG LEU A 51 24.972 -10.449 -13.746 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.199 -9.059 -11.704 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.489 -8.097 -13.173 1.00 0.00 H new ATOM 0 HD13 LEU A 51 23.937 -7.962 -12.313 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.582 -10.941 -11.742 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.314 -9.855 -12.359 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.713 -11.349 -13.241 1.00 0.00 H new ATOM 249 N LYS A 52 25.216 -10.607 -16.925 1.00 0.00 N ATOM 250 CA LYS A 52 26.104 -11.669 -17.371 1.00 0.00 C ATOM 251 C LYS A 52 27.396 -11.072 -17.930 1.00 0.00 C ATOM 252 O LYS A 52 28.483 -11.481 -17.538 1.00 0.00 O ATOM 253 CB LYS A 52 25.396 -12.519 -18.433 1.00 0.00 C ATOM 254 CG LYS A 52 26.257 -13.743 -18.770 1.00 0.00 C ATOM 255 CD LYS A 52 25.603 -14.561 -19.892 1.00 0.00 C ATOM 256 CE LYS A 52 25.945 -13.962 -21.265 1.00 0.00 C ATOM 257 NZ LYS A 52 27.385 -14.093 -21.569 1.00 0.00 N ATOM 0 H LYS A 52 24.281 -10.646 -17.331 1.00 0.00 H new ATOM 0 HA LYS A 52 26.360 -12.307 -16.525 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.420 -12.838 -18.067 1.00 0.00 H new ATOM 0 HB3 LYS A 52 25.221 -11.926 -19.331 1.00 0.00 H new ATOM 0 HG2 LYS A 52 27.253 -13.423 -19.077 1.00 0.00 H new ATOM 0 HG3 LYS A 52 26.382 -14.364 -17.883 1.00 0.00 H new ATOM 0 HD2 LYS A 52 25.946 -15.594 -19.844 1.00 0.00 H new ATOM 0 HD3 LYS A 52 24.522 -14.578 -19.755 1.00 0.00 H new ATOM 0 HE2 LYS A 52 25.362 -14.463 -22.037 1.00 0.00 H new ATOM 0 HE3 LYS A 52 25.662 -12.910 -21.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 27.521 -14.122 -22.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 27.898 -13.279 -21.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 27.751 -14.970 -21.147 1.00 0.00 H new ATOM 271 N LYS A 53 27.272 -10.107 -18.848 1.00 0.00 N ATOM 272 CA LYS A 53 28.432 -9.475 -19.466 1.00 0.00 C ATOM 273 C LYS A 53 29.336 -8.861 -18.395 1.00 0.00 C ATOM 274 O LYS A 53 30.547 -9.070 -18.412 1.00 0.00 O ATOM 275 CB LYS A 53 27.967 -8.398 -20.462 1.00 0.00 C ATOM 276 CG LYS A 53 28.216 -8.868 -21.903 1.00 0.00 C ATOM 277 CD LYS A 53 27.225 -9.980 -22.284 1.00 0.00 C ATOM 278 CE LYS A 53 26.088 -9.406 -23.141 1.00 0.00 C ATOM 279 NZ LYS A 53 25.351 -8.354 -22.420 1.00 0.00 N ATOM 0 H LYS A 53 26.375 -9.749 -19.177 1.00 0.00 H new ATOM 0 HA LYS A 53 29.005 -10.230 -20.005 1.00 0.00 H new ATOM 0 HB2 LYS A 53 26.907 -8.191 -20.317 1.00 0.00 H new ATOM 0 HB3 LYS A 53 28.502 -7.466 -20.278 1.00 0.00 H new ATOM 0 HG2 LYS A 53 28.111 -8.028 -22.589 1.00 0.00 H new ATOM 0 HG3 LYS A 53 29.238 -9.234 -22.001 1.00 0.00 H new ATOM 0 HD2 LYS A 53 27.743 -10.766 -22.833 1.00 0.00 H new ATOM 0 HD3 LYS A 53 26.816 -10.437 -21.383 1.00 0.00 H new ATOM 0 HE2 LYS A 53 26.497 -8.998 -24.065 1.00 0.00 H new ATOM 0 HE3 LYS A 53 25.402 -10.206 -23.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 24.429 -8.201 -22.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 25.204 -8.647 -21.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 25.898 -7.470 -22.441 1.00 0.00 H new ATOM 293 N LEU A 54 28.748 -8.098 -17.468 1.00 0.00 N ATOM 294 CA LEU A 54 29.509 -7.435 -16.417 1.00 0.00 C ATOM 295 C LEU A 54 30.165 -8.463 -15.488 1.00 0.00 C ATOM 296 O LEU A 54 31.276 -8.238 -15.012 1.00 0.00 O ATOM 297 CB LEU A 54 28.583 -6.499 -15.636 1.00 0.00 C ATOM 298 CG LEU A 54 28.185 -5.303 -16.519 1.00 0.00 C ATOM 299 CD1 LEU A 54 26.940 -4.634 -15.938 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.330 -4.285 -16.570 1.00 0.00 C ATOM 0 H LEU A 54 27.743 -7.927 -17.429 1.00 0.00 H new ATOM 0 HA LEU A 54 30.308 -6.847 -16.868 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.692 -7.039 -15.315 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.084 -6.146 -14.734 1.00 0.00 H new ATOM 0 HG LEU A 54 27.976 -5.659 -17.528 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.657 -3.787 -16.563 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.121 -5.353 -15.909 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.153 -4.285 -14.928 1.00 0.00 H new ATOM 0 HD21 LEU A 54 29.040 -3.442 -17.197 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.547 -3.930 -15.562 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.219 -4.758 -16.987 1.00 0.00 H new ATOM 312 N VAL A 55 29.489 -9.588 -15.234 1.00 0.00 N ATOM 313 CA VAL A 55 30.032 -10.640 -14.385 1.00 0.00 C ATOM 314 C VAL A 55 31.238 -11.275 -15.078 1.00 0.00 C ATOM 315 O VAL A 55 32.280 -11.463 -14.459 1.00 0.00 O ATOM 316 CB VAL A 55 28.939 -11.684 -14.094 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.573 -12.985 -13.591 1.00 0.00 C ATOM 318 CG2 VAL A 55 27.990 -11.144 -13.020 1.00 0.00 C ATOM 0 H VAL A 55 28.562 -9.789 -15.608 1.00 0.00 H new ATOM 0 HA VAL A 55 30.362 -10.223 -13.434 1.00 0.00 H new ATOM 0 HB VAL A 55 28.388 -11.883 -15.013 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.791 -13.716 -13.388 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.249 -13.378 -14.351 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.131 -12.788 -12.676 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.216 -11.883 -12.814 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.551 -10.941 -12.108 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.527 -10.223 -13.373 1.00 0.00 H new ATOM 328 N GLU A 56 31.091 -11.598 -16.366 1.00 0.00 N ATOM 329 CA GLU A 56 32.166 -12.195 -17.145 1.00 0.00 C ATOM 330 C GLU A 56 33.350 -11.226 -17.225 1.00 0.00 C ATOM 331 O GLU A 56 34.503 -11.651 -17.186 1.00 0.00 O ATOM 332 CB GLU A 56 31.642 -12.531 -18.547 1.00 0.00 C ATOM 333 CG GLU A 56 30.650 -13.701 -18.465 1.00 0.00 C ATOM 334 CD GLU A 56 29.846 -13.844 -19.754 1.00 0.00 C ATOM 335 OE1 GLU A 56 29.410 -12.794 -20.283 1.00 0.00 O ATOM 336 OE2 GLU A 56 29.667 -15.001 -20.192 1.00 0.00 O ATOM 0 H GLU A 56 30.228 -11.452 -16.890 1.00 0.00 H new ATOM 0 HA GLU A 56 32.508 -13.112 -16.665 1.00 0.00 H new ATOM 0 HB2 GLU A 56 31.154 -11.658 -18.982 1.00 0.00 H new ATOM 0 HB3 GLU A 56 32.473 -12.792 -19.203 1.00 0.00 H new ATOM 0 HG2 GLU A 56 31.192 -14.626 -18.269 1.00 0.00 H new ATOM 0 HG3 GLU A 56 29.971 -13.546 -17.627 1.00 0.00 H new ATOM 343 N GLN A 57 33.057 -9.924 -17.336 1.00 0.00 N ATOM 344 CA GLN A 57 34.085 -8.898 -17.425 1.00 0.00 C ATOM 345 C GLN A 57 34.850 -8.789 -16.104 1.00 0.00 C ATOM 346 O GLN A 57 36.073 -8.910 -16.084 1.00 0.00 O ATOM 347 CB GLN A 57 33.424 -7.556 -17.771 1.00 0.00 C ATOM 348 CG GLN A 57 34.496 -6.489 -18.019 1.00 0.00 C ATOM 349 CD GLN A 57 33.861 -5.111 -18.169 1.00 0.00 C ATOM 350 OE1 GLN A 57 33.304 -4.793 -19.216 1.00 0.00 O ATOM 351 NE2 GLN A 57 33.945 -4.292 -17.119 1.00 0.00 N ATOM 0 H GLN A 57 32.104 -9.561 -17.366 1.00 0.00 H new ATOM 0 HA GLN A 57 34.797 -9.166 -18.206 1.00 0.00 H new ATOM 0 HB2 GLN A 57 32.799 -7.667 -18.657 1.00 0.00 H new ATOM 0 HB3 GLN A 57 32.770 -7.243 -16.957 1.00 0.00 H new ATOM 0 HG2 GLN A 57 35.205 -6.480 -17.191 1.00 0.00 H new ATOM 0 HG3 GLN A 57 35.060 -6.735 -18.919 1.00 0.00 H new ATOM 0 HE21 GLN A 57 34.418 -4.599 -16.269 1.00 0.00 H new ATOM 0 HE22 GLN A 57 33.536 -3.359 -17.166 1.00 0.00 H new ATOM 360 N ASN A 58 34.123 -8.542 -15.007 1.00 0.00 N ATOM 361 CA ASN A 58 34.730 -8.349 -13.697 1.00 0.00 C ATOM 362 C ASN A 58 34.854 -9.688 -12.966 1.00 0.00 C ATOM 363 O ASN A 58 35.932 -10.277 -12.937 1.00 0.00 O ATOM 364 CB ASN A 58 33.888 -7.347 -12.895 1.00 0.00 C ATOM 365 CG ASN A 58 33.793 -6.007 -13.624 1.00 0.00 C ATOM 366 OD1 ASN A 58 34.615 -5.121 -13.411 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.786 -5.863 -14.488 1.00 0.00 N ATOM 0 H ASN A 58 33.105 -8.472 -15.008 1.00 0.00 H new ATOM 0 HA ASN A 58 35.736 -7.946 -13.812 1.00 0.00 H new ATOM 0 HB2 ASN A 58 32.888 -7.751 -12.737 1.00 0.00 H new ATOM 0 HB3 ASN A 58 34.332 -7.199 -11.910 1.00 0.00 H new ATOM 0 HD21 ASN A 58 32.677 -4.989 -15.003 1.00 0.00 H new ATOM 0 HD22 ASN A 58 32.126 -6.627 -14.634 1.00 0.00 H new ATOM 374 N GLY A 59 33.752 -10.166 -12.374 1.00 0.00 N ATOM 375 CA GLY A 59 33.751 -11.423 -11.644 1.00 0.00 C ATOM 376 C GLY A 59 32.552 -11.481 -10.703 1.00 0.00 C ATOM 377 O GLY A 59 31.802 -10.514 -10.588 1.00 0.00 O ATOM 0 H GLY A 59 32.849 -9.692 -12.391 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.715 -12.259 -12.343 1.00 0.00 H new ATOM 0 HA3 GLY A 59 34.675 -11.523 -11.075 1.00 0.00 H new ATOM 381 N THR A 60 32.378 -12.623 -10.027 1.00 0.00 N ATOM 382 CA THR A 60 31.279 -12.817 -9.087 1.00 0.00 C ATOM 383 C THR A 60 31.728 -12.474 -7.661 1.00 0.00 C ATOM 384 O THR A 60 31.004 -12.751 -6.708 1.00 0.00 O ATOM 385 CB THR A 60 30.814 -14.277 -9.162 1.00 0.00 C ATOM 386 OG1 THR A 60 31.921 -15.136 -8.985 1.00 0.00 O ATOM 387 CG2 THR A 60 30.178 -14.552 -10.524 1.00 0.00 C ATOM 0 H THR A 60 32.994 -13.431 -10.119 1.00 0.00 H new ATOM 0 HA THR A 60 30.453 -12.156 -9.350 1.00 0.00 H new ATOM 0 HB THR A 60 30.080 -14.456 -8.377 1.00 0.00 H new ATOM 0 HG1 THR A 60 31.622 -16.068 -9.031 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.850 -15.591 -10.570 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.320 -13.894 -10.664 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.909 -14.367 -11.311 1.00 0.00 H new ATOM 395 N ASP A 61 32.922 -11.879 -7.517 1.00 0.00 N ATOM 396 CA ASP A 61 33.460 -11.530 -6.210 1.00 0.00 C ATOM 397 C ASP A 61 33.028 -10.114 -5.828 1.00 0.00 C ATOM 398 O ASP A 61 32.228 -9.935 -4.910 1.00 0.00 O ATOM 399 CB ASP A 61 34.994 -11.654 -6.243 1.00 0.00 C ATOM 400 CG ASP A 61 35.476 -12.680 -5.226 1.00 0.00 C ATOM 401 OD1 ASP A 61 35.718 -12.266 -4.073 1.00 0.00 O ATOM 402 OD2 ASP A 61 35.591 -13.860 -5.622 1.00 0.00 O ATOM 0 H ASP A 61 33.529 -11.632 -8.298 1.00 0.00 H new ATOM 0 HA ASP A 61 33.071 -12.213 -5.455 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.318 -11.946 -7.242 1.00 0.00 H new ATOM 0 HB3 ASP A 61 35.446 -10.685 -6.031 1.00 0.00 H new ATOM 407 N ASP A 62 33.564 -9.109 -6.534 1.00 0.00 N ATOM 408 CA ASP A 62 33.257 -7.715 -6.253 1.00 0.00 C ATOM 409 C ASP A 62 31.897 -7.338 -6.842 1.00 0.00 C ATOM 410 O ASP A 62 31.814 -6.776 -7.935 1.00 0.00 O ATOM 411 CB ASP A 62 34.381 -6.816 -6.802 1.00 0.00 C ATOM 412 CG ASP A 62 35.004 -5.987 -5.685 1.00 0.00 C ATOM 413 OD1 ASP A 62 34.261 -5.155 -5.118 1.00 0.00 O ATOM 414 OD2 ASP A 62 36.207 -6.198 -5.422 1.00 0.00 O ATOM 0 H ASP A 62 34.215 -9.245 -7.307 1.00 0.00 H new ATOM 0 HA ASP A 62 33.198 -7.567 -5.175 1.00 0.00 H new ATOM 0 HB2 ASP A 62 35.147 -7.431 -7.275 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.982 -6.156 -7.572 1.00 0.00 H new ATOM 419 N TRP A 63 30.826 -7.638 -6.104 1.00 0.00 N ATOM 420 CA TRP A 63 29.480 -7.288 -6.526 1.00 0.00 C ATOM 421 C TRP A 63 29.282 -5.775 -6.420 1.00 0.00 C ATOM 422 O TRP A 63 28.356 -5.234 -7.013 1.00 0.00 O ATOM 423 CB TRP A 63 28.464 -8.040 -5.673 1.00 0.00 C ATOM 424 CG TRP A 63 28.355 -9.491 -5.989 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.665 -10.491 -5.156 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.916 -10.133 -7.222 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.469 -11.711 -5.755 1.00 0.00 N ATOM 428 CE2 TRP A 63 28.005 -11.551 -7.049 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.451 -9.670 -8.475 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.661 -12.451 -8.060 1.00 0.00 C ATOM 431 CZ3 TRP A 63 27.101 -10.574 -9.496 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.211 -11.961 -9.291 1.00 0.00 C ATOM 0 H TRP A 63 30.872 -8.125 -5.209 1.00 0.00 H new ATOM 0 HA TRP A 63 29.332 -7.577 -7.567 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.734 -7.928 -4.623 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.485 -7.577 -5.801 1.00 0.00 H new ATOM 0 HD1 TRP A 63 29.022 -10.356 -4.146 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.642 -12.611 -5.308 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.363 -8.608 -8.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 27.742 -13.515 -7.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.745 -10.199 -10.444 1.00 0.00 H new ATOM 0 HH2 TRP A 63 26.948 -12.647 -10.083 1.00 0.00 H new ATOM 443 N LYS A 64 30.163 -5.091 -5.674 1.00 0.00 N ATOM 444 CA LYS A 64 30.105 -3.646 -5.537 1.00 0.00 C ATOM 445 C LYS A 64 30.373 -3.004 -6.899 1.00 0.00 C ATOM 446 O LYS A 64 29.645 -2.106 -7.323 1.00 0.00 O ATOM 447 CB LYS A 64 31.144 -3.200 -4.503 1.00 0.00 C ATOM 448 CG LYS A 64 31.030 -1.692 -4.259 1.00 0.00 C ATOM 449 CD LYS A 64 32.061 -1.267 -3.212 1.00 0.00 C ATOM 450 CE LYS A 64 31.974 0.244 -2.985 1.00 0.00 C ATOM 451 NZ LYS A 64 32.977 0.689 -2.001 1.00 0.00 N ATOM 0 H LYS A 64 30.926 -5.529 -5.157 1.00 0.00 H new ATOM 0 HA LYS A 64 29.119 -3.333 -5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 64 30.993 -3.740 -3.568 1.00 0.00 H new ATOM 0 HB3 LYS A 64 32.146 -3.445 -4.854 1.00 0.00 H new ATOM 0 HG2 LYS A 64 31.195 -1.149 -5.189 1.00 0.00 H new ATOM 0 HG3 LYS A 64 30.025 -1.443 -3.918 1.00 0.00 H new ATOM 0 HD2 LYS A 64 31.882 -1.796 -2.276 1.00 0.00 H new ATOM 0 HD3 LYS A 64 33.063 -1.537 -3.544 1.00 0.00 H new ATOM 0 HE2 LYS A 64 32.129 0.767 -3.929 1.00 0.00 H new ATOM 0 HE3 LYS A 64 30.975 0.506 -2.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 32.897 1.717 -1.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 32.812 0.206 -1.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 33.930 0.459 -2.348 1.00 0.00 H new ATOM 465 N VAL A 65 31.421 -3.479 -7.586 1.00 0.00 N ATOM 466 CA VAL A 65 31.775 -2.981 -8.908 1.00 0.00 C ATOM 467 C VAL A 65 30.590 -3.167 -9.846 1.00 0.00 C ATOM 468 O VAL A 65 30.237 -2.271 -10.610 1.00 0.00 O ATOM 469 CB VAL A 65 32.985 -3.766 -9.439 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.338 -3.286 -10.848 1.00 0.00 C ATOM 471 CG2 VAL A 65 34.189 -3.566 -8.524 1.00 0.00 C ATOM 0 H VAL A 65 32.038 -4.213 -7.238 1.00 0.00 H new ATOM 0 HA VAL A 65 32.029 -1.923 -8.850 1.00 0.00 H new ATOM 0 HB VAL A 65 32.727 -4.825 -9.466 1.00 0.00 H new ATOM 0 HG11 VAL A 65 34.196 -3.846 -11.219 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.487 -3.445 -11.510 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.582 -2.224 -10.820 1.00 0.00 H new ATOM 0 HG21 VAL A 65 35.038 -4.128 -8.912 1.00 0.00 H new ATOM 0 HG22 VAL A 65 34.443 -2.507 -8.483 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.947 -3.920 -7.522 1.00 0.00 H new ATOM 481 N ILE A 66 29.989 -4.350 -9.781 1.00 0.00 N ATOM 482 CA ILE A 66 28.877 -4.712 -10.632 1.00 0.00 C ATOM 483 C ILE A 66 27.666 -3.831 -10.312 1.00 0.00 C ATOM 484 O ILE A 66 26.976 -3.378 -11.219 1.00 0.00 O ATOM 485 CB ILE A 66 28.573 -6.204 -10.426 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.897 -7.018 -10.557 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.512 -6.657 -11.439 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.851 -8.042 -11.684 1.00 0.00 C ATOM 0 H ILE A 66 30.266 -5.085 -9.130 1.00 0.00 H new ATOM 0 HA ILE A 66 29.124 -4.548 -11.681 1.00 0.00 H new ATOM 0 HB ILE A 66 28.169 -6.379 -9.429 1.00 0.00 H new ATOM 0 HG12 ILE A 66 30.725 -6.331 -10.730 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.099 -7.529 -9.616 1.00 0.00 H new ATOM 0 HG21 ILE A 66 27.297 -7.715 -11.292 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.600 -6.078 -11.294 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.885 -6.500 -12.451 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.799 -8.578 -11.727 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.042 -8.749 -11.500 1.00 0.00 H new ATOM 0 HD13 ILE A 66 29.679 -7.532 -12.632 1.00 0.00 H new ATOM 500 N ALA A 67 27.418 -3.585 -9.019 1.00 0.00 N ATOM 501 CA ALA A 67 26.302 -2.756 -8.585 1.00 0.00 C ATOM 502 C ALA A 67 26.418 -1.357 -9.191 1.00 0.00 C ATOM 503 O ALA A 67 25.418 -0.780 -9.605 1.00 0.00 O ATOM 504 CB ALA A 67 26.285 -2.682 -7.058 1.00 0.00 C ATOM 0 H ALA A 67 27.984 -3.955 -8.255 1.00 0.00 H new ATOM 0 HA ALA A 67 25.367 -3.199 -8.928 1.00 0.00 H new ATOM 0 HB1 ALA A 67 25.450 -2.062 -6.733 1.00 0.00 H new ATOM 0 HB2 ALA A 67 26.174 -3.685 -6.646 1.00 0.00 H new ATOM 0 HB3 ALA A 67 27.220 -2.246 -6.704 1.00 0.00 H new ATOM 510 N ASN A 68 27.641 -0.813 -9.249 1.00 0.00 N ATOM 511 CA ASN A 68 27.864 0.509 -9.824 1.00 0.00 C ATOM 512 C ASN A 68 27.434 0.513 -11.293 1.00 0.00 C ATOM 513 O ASN A 68 26.869 1.496 -11.769 1.00 0.00 O ATOM 514 CB ASN A 68 29.340 0.900 -9.686 1.00 0.00 C ATOM 515 CG ASN A 68 29.610 1.549 -8.332 1.00 0.00 C ATOM 516 OD1 ASN A 68 29.785 2.761 -8.247 1.00 0.00 O ATOM 517 ND2 ASN A 68 29.644 0.743 -7.271 1.00 0.00 N ATOM 0 H ASN A 68 28.485 -1.271 -8.904 1.00 0.00 H new ATOM 0 HA ASN A 68 27.265 1.243 -9.286 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.966 0.015 -9.800 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.613 1.590 -10.485 1.00 0.00 H new ATOM 0 HD21 ASN A 68 29.821 1.128 -6.343 1.00 0.00 H new ATOM 0 HD22 ASN A 68 29.493 -0.259 -7.387 1.00 0.00 H new ATOM 524 N TYR A 69 27.698 -0.589 -12.010 1.00 0.00 N ATOM 525 CA TYR A 69 27.322 -0.706 -13.415 1.00 0.00 C ATOM 526 C TYR A 69 25.833 -1.063 -13.548 1.00 0.00 C ATOM 527 O TYR A 69 25.280 -0.989 -14.645 1.00 0.00 O ATOM 528 CB TYR A 69 28.193 -1.771 -14.092 1.00 0.00 C ATOM 529 CG TYR A 69 29.655 -1.381 -14.220 1.00 0.00 C ATOM 530 CD1 TYR A 69 30.012 -0.167 -14.838 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.659 -2.241 -13.737 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.366 0.186 -14.966 1.00 0.00 C ATOM 533 CE2 TYR A 69 32.013 -1.887 -13.870 1.00 0.00 C ATOM 534 CZ TYR A 69 32.365 -0.674 -14.482 1.00 0.00 C ATOM 535 OH TYR A 69 33.679 -0.331 -14.611 1.00 0.00 O ATOM 0 H TYR A 69 28.172 -1.410 -11.634 1.00 0.00 H new ATOM 0 HA TYR A 69 27.484 0.253 -13.907 1.00 0.00 H new ATOM 0 HB2 TYR A 69 28.123 -2.698 -13.523 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.793 -1.975 -15.085 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.244 0.493 -15.214 1.00 0.00 H new ATOM 0 HD2 TYR A 69 30.389 -3.174 -13.264 1.00 0.00 H new ATOM 0 HE1 TYR A 69 31.638 1.119 -15.437 1.00 0.00 H new ATOM 0 HE2 TYR A 69 32.783 -2.549 -13.501 1.00 0.00 H new ATOM 0 HH TYR A 69 34.240 -1.035 -14.223 1.00 0.00 H new ATOM 545 N LEU A 70 25.187 -1.444 -12.433 1.00 0.00 N ATOM 546 CA LEU A 70 23.769 -1.788 -12.423 1.00 0.00 C ATOM 547 C LEU A 70 23.047 -0.967 -11.350 1.00 0.00 C ATOM 548 O LEU A 70 22.690 -1.502 -10.307 1.00 0.00 O ATOM 549 CB LEU A 70 23.607 -3.289 -12.134 1.00 0.00 C ATOM 550 CG LEU A 70 23.787 -4.108 -13.421 1.00 0.00 C ATOM 551 CD1 LEU A 70 24.874 -5.156 -13.211 1.00 0.00 C ATOM 552 CD2 LEU A 70 22.472 -4.811 -13.764 1.00 0.00 C ATOM 0 H LEU A 70 25.637 -1.520 -11.521 1.00 0.00 H new ATOM 0 HA LEU A 70 23.333 -1.562 -13.396 1.00 0.00 H new ATOM 0 HB2 LEU A 70 24.340 -3.603 -11.391 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.621 -3.479 -11.710 1.00 0.00 H new ATOM 0 HG LEU A 70 24.073 -3.443 -14.236 1.00 0.00 H new ATOM 0 HD11 LEU A 70 25.001 -5.737 -14.125 1.00 0.00 H new ATOM 0 HD12 LEU A 70 25.813 -4.662 -12.962 1.00 0.00 H new ATOM 0 HD13 LEU A 70 24.586 -5.820 -12.396 1.00 0.00 H new ATOM 0 HD21 LEU A 70 22.598 -5.393 -14.677 1.00 0.00 H new ATOM 0 HD22 LEU A 70 22.190 -5.475 -12.947 1.00 0.00 H new ATOM 0 HD23 LEU A 70 21.690 -4.067 -13.913 1.00 0.00 H new ATOM 564 N PRO A 71 22.813 0.336 -11.597 1.00 0.00 N ATOM 565 CA PRO A 71 22.105 1.182 -10.657 1.00 0.00 C ATOM 566 C PRO A 71 20.714 0.609 -10.366 1.00 0.00 C ATOM 567 O PRO A 71 20.146 0.858 -9.305 1.00 0.00 O ATOM 568 CB PRO A 71 22.015 2.560 -11.318 1.00 0.00 C ATOM 569 CG PRO A 71 22.712 2.451 -12.681 1.00 0.00 C ATOM 570 CD PRO A 71 23.223 1.016 -12.807 1.00 0.00 C ATOM 0 HA PRO A 71 22.620 1.244 -9.698 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.975 2.862 -11.440 1.00 0.00 H new ATOM 0 HB3 PRO A 71 22.496 3.317 -10.698 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.019 2.686 -13.489 1.00 0.00 H new ATOM 0 HG3 PRO A 71 23.536 3.161 -12.751 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.805 0.529 -13.688 1.00 0.00 H new ATOM 0 HD3 PRO A 71 24.307 0.997 -12.917 1.00 0.00 H new ATOM 578 N ASN A 72 20.173 -0.158 -11.321 1.00 0.00 N ATOM 579 CA ASN A 72 18.855 -0.758 -11.195 1.00 0.00 C ATOM 580 C ASN A 72 18.876 -1.924 -10.200 1.00 0.00 C ATOM 581 O ASN A 72 17.866 -2.193 -9.552 1.00 0.00 O ATOM 582 CB ASN A 72 18.398 -1.267 -12.569 1.00 0.00 C ATOM 583 CG ASN A 72 18.621 -0.230 -13.666 1.00 0.00 C ATOM 584 OD1 ASN A 72 18.455 0.966 -13.442 1.00 0.00 O ATOM 585 ND2 ASN A 72 19.001 -0.696 -14.857 1.00 0.00 N ATOM 0 H ASN A 72 20.643 -0.375 -12.200 1.00 0.00 H new ATOM 0 HA ASN A 72 18.162 -0.002 -10.825 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.941 -2.179 -12.817 1.00 0.00 H new ATOM 0 HB3 ASN A 72 17.340 -1.527 -12.526 1.00 0.00 H new ATOM 0 HD21 ASN A 72 19.166 -0.050 -15.628 1.00 0.00 H new ATOM 0 HD22 ASN A 72 19.126 -1.699 -14.996 1.00 0.00 H new ATOM 592 N ARG A 73 20.019 -2.628 -10.097 1.00 0.00 N ATOM 593 CA ARG A 73 20.140 -3.803 -9.236 1.00 0.00 C ATOM 594 C ARG A 73 21.382 -3.676 -8.353 1.00 0.00 C ATOM 595 O ARG A 73 22.505 -3.740 -8.843 1.00 0.00 O ATOM 596 CB ARG A 73 20.226 -5.063 -10.111 1.00 0.00 C ATOM 597 CG ARG A 73 19.011 -5.158 -11.051 1.00 0.00 C ATOM 598 CD ARG A 73 17.749 -5.523 -10.262 1.00 0.00 C ATOM 599 NE ARG A 73 16.612 -5.736 -11.169 1.00 0.00 N ATOM 600 CZ ARG A 73 15.871 -4.732 -11.678 1.00 0.00 C ATOM 601 NH1 ARG A 73 16.091 -3.465 -11.301 1.00 0.00 N ATOM 602 NH2 ARG A 73 14.907 -5.000 -12.566 1.00 0.00 N ATOM 0 H ARG A 73 20.872 -2.396 -10.606 1.00 0.00 H new ATOM 0 HA ARG A 73 19.266 -3.877 -8.589 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.145 -5.042 -10.697 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.272 -5.949 -9.478 1.00 0.00 H new ATOM 0 HG2 ARG A 73 18.865 -4.207 -11.563 1.00 0.00 H new ATOM 0 HG3 ARG A 73 19.196 -5.908 -11.820 1.00 0.00 H new ATOM 0 HD2 ARG A 73 17.928 -6.425 -9.677 1.00 0.00 H new ATOM 0 HD3 ARG A 73 17.513 -4.727 -9.556 1.00 0.00 H new ATOM 0 HE ARG A 73 16.371 -6.693 -11.426 1.00 0.00 H new ATOM 0 HH11 ARG A 73 16.824 -3.254 -10.624 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.525 -2.711 -11.691 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.734 -5.962 -12.856 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.345 -4.242 -12.953 1.00 0.00 H new ATOM 616 N THR A 74 21.169 -3.495 -7.047 1.00 0.00 N ATOM 617 CA THR A 74 22.255 -3.332 -6.089 1.00 0.00 C ATOM 618 C THR A 74 23.064 -4.629 -5.942 1.00 0.00 C ATOM 619 O THR A 74 22.769 -5.635 -6.586 1.00 0.00 O ATOM 620 CB THR A 74 21.665 -2.908 -4.736 1.00 0.00 C ATOM 621 OG1 THR A 74 20.715 -3.865 -4.311 1.00 0.00 O ATOM 622 CG2 THR A 74 20.985 -1.542 -4.869 1.00 0.00 C ATOM 0 H THR A 74 20.239 -3.458 -6.629 1.00 0.00 H new ATOM 0 HA THR A 74 22.937 -2.562 -6.450 1.00 0.00 H new ATOM 0 HB THR A 74 22.469 -2.841 -4.003 1.00 0.00 H new ATOM 0 HG1 THR A 74 20.341 -3.593 -3.447 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.569 -1.247 -3.906 1.00 0.00 H new ATOM 0 HG22 THR A 74 21.717 -0.801 -5.190 1.00 0.00 H new ATOM 0 HG23 THR A 74 20.185 -1.604 -5.606 1.00 0.00 H new ATOM 630 N ASP A 75 24.091 -4.582 -5.080 1.00 0.00 N ATOM 631 CA ASP A 75 24.974 -5.713 -4.810 1.00 0.00 C ATOM 632 C ASP A 75 24.163 -6.975 -4.502 1.00 0.00 C ATOM 633 O ASP A 75 24.321 -7.995 -5.171 1.00 0.00 O ATOM 634 CB ASP A 75 25.870 -5.334 -3.619 1.00 0.00 C ATOM 635 CG ASP A 75 26.957 -6.367 -3.365 1.00 0.00 C ATOM 636 OD1 ASP A 75 26.590 -7.530 -3.094 1.00 0.00 O ATOM 637 OD2 ASP A 75 28.139 -5.967 -3.439 1.00 0.00 O ATOM 0 H ASP A 75 24.329 -3.745 -4.548 1.00 0.00 H new ATOM 0 HA ASP A 75 25.585 -5.931 -5.686 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.330 -4.364 -3.807 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.256 -5.228 -2.724 1.00 0.00 H new ATOM 642 N VAL A 76 23.296 -6.897 -3.485 1.00 0.00 N ATOM 643 CA VAL A 76 22.479 -8.029 -3.064 1.00 0.00 C ATOM 644 C VAL A 76 21.640 -8.548 -4.232 1.00 0.00 C ATOM 645 O VAL A 76 21.610 -9.748 -4.477 1.00 0.00 O ATOM 646 CB VAL A 76 21.578 -7.598 -1.895 1.00 0.00 C ATOM 647 CG1 VAL A 76 20.678 -8.766 -1.474 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.444 -7.174 -0.703 1.00 0.00 C ATOM 0 H VAL A 76 23.146 -6.050 -2.937 1.00 0.00 H new ATOM 0 HA VAL A 76 23.128 -8.840 -2.733 1.00 0.00 H new ATOM 0 HB VAL A 76 20.960 -6.759 -2.215 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.042 -8.455 -0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.055 -9.067 -2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.296 -9.607 -1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.802 -6.869 0.123 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.066 -8.012 -0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.081 -6.339 -0.995 1.00 0.00 H new ATOM 658 N GLN A 77 20.955 -7.645 -4.945 1.00 0.00 N ATOM 659 CA GLN A 77 20.100 -8.031 -6.062 1.00 0.00 C ATOM 660 C GLN A 77 20.905 -8.788 -7.120 1.00 0.00 C ATOM 661 O GLN A 77 20.482 -9.848 -7.577 1.00 0.00 O ATOM 662 CB GLN A 77 19.456 -6.780 -6.668 1.00 0.00 C ATOM 663 CG GLN A 77 18.344 -6.274 -5.747 1.00 0.00 C ATOM 664 CD GLN A 77 17.750 -4.971 -6.272 1.00 0.00 C ATOM 665 OE1 GLN A 77 16.853 -4.989 -7.107 1.00 0.00 O ATOM 666 NE2 GLN A 77 18.250 -3.839 -5.780 1.00 0.00 N ATOM 0 H GLN A 77 20.980 -6.642 -4.764 1.00 0.00 H new ATOM 0 HA GLN A 77 19.316 -8.695 -5.698 1.00 0.00 H new ATOM 0 HB2 GLN A 77 20.208 -6.003 -6.807 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.049 -7.009 -7.653 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.561 -7.029 -5.667 1.00 0.00 H new ATOM 0 HG3 GLN A 77 18.740 -6.119 -4.744 1.00 0.00 H new ATOM 0 HE21 GLN A 77 18.997 -3.871 -5.086 1.00 0.00 H new ATOM 0 HE22 GLN A 77 17.886 -2.940 -6.097 1.00 0.00 H new ATOM 675 N CYS A 78 22.062 -8.241 -7.508 1.00 0.00 N ATOM 676 CA CYS A 78 22.912 -8.858 -8.519 1.00 0.00 C ATOM 677 C CYS A 78 23.372 -10.238 -8.051 1.00 0.00 C ATOM 678 O CYS A 78 23.246 -11.220 -8.783 1.00 0.00 O ATOM 679 CB CYS A 78 24.123 -7.961 -8.788 1.00 0.00 C ATOM 680 SG CYS A 78 23.592 -6.510 -9.730 1.00 0.00 S ATOM 0 H CYS A 78 22.429 -7.367 -7.132 1.00 0.00 H new ATOM 0 HA CYS A 78 22.343 -8.977 -9.441 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.578 -7.652 -7.847 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.882 -8.512 -9.343 1.00 0.00 H new ATOM 0 HG CYS A 78 23.209 -5.577 -8.910 1.00 0.00 H new ATOM 686 N GLN A 79 23.913 -10.303 -6.829 1.00 0.00 N ATOM 687 CA GLN A 79 24.417 -11.542 -6.260 1.00 0.00 C ATOM 688 C GLN A 79 23.317 -12.605 -6.239 1.00 0.00 C ATOM 689 O GLN A 79 23.533 -13.723 -6.706 1.00 0.00 O ATOM 690 CB GLN A 79 24.951 -11.254 -4.849 1.00 0.00 C ATOM 691 CG GLN A 79 25.668 -12.492 -4.282 1.00 0.00 C ATOM 692 CD GLN A 79 24.707 -13.426 -3.547 1.00 0.00 C ATOM 693 OE1 GLN A 79 23.608 -13.033 -3.172 1.00 0.00 O ATOM 694 NE2 GLN A 79 25.131 -14.672 -3.337 1.00 0.00 N ATOM 0 H GLN A 79 24.010 -9.495 -6.214 1.00 0.00 H new ATOM 0 HA GLN A 79 25.230 -11.933 -6.872 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.640 -10.410 -4.880 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.128 -10.971 -4.193 1.00 0.00 H new ATOM 0 HG2 GLN A 79 26.150 -13.035 -5.095 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.456 -12.173 -3.600 1.00 0.00 H new ATOM 0 HE21 GLN A 79 26.053 -14.959 -3.665 1.00 0.00 H new ATOM 0 HE22 GLN A 79 24.533 -15.338 -2.848 1.00 0.00 H new ATOM 703 N HIS A 80 22.142 -12.256 -5.700 1.00 0.00 N ATOM 704 CA HIS A 80 21.021 -13.182 -5.618 1.00 0.00 C ATOM 705 C HIS A 80 20.626 -13.653 -7.009 1.00 0.00 C ATOM 706 O HIS A 80 20.575 -14.849 -7.261 1.00 0.00 O ATOM 707 CB HIS A 80 19.824 -12.498 -4.933 1.00 0.00 C ATOM 708 CG HIS A 80 19.678 -12.861 -3.476 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.586 -12.458 -2.715 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.453 -13.597 -2.613 1.00 0.00 C ATOM 711 CE1 HIS A 80 18.764 -12.964 -1.479 1.00 0.00 C ATOM 712 NE2 HIS A 80 19.884 -13.675 -1.351 1.00 0.00 N ATOM 0 H HIS A 80 21.949 -11.332 -5.314 1.00 0.00 H new ATOM 0 HA HIS A 80 21.321 -14.047 -5.027 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.934 -11.417 -5.021 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.910 -12.769 -5.461 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.391 -14.059 -2.884 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.066 -12.808 -0.670 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.237 -14.159 -0.525 1.00 0.00 H new ATOM 720 N ARG A 81 20.336 -12.714 -7.909 1.00 0.00 N ATOM 721 CA ARG A 81 19.907 -13.048 -9.255 1.00 0.00 C ATOM 722 C ARG A 81 20.869 -14.047 -9.892 1.00 0.00 C ATOM 723 O ARG A 81 20.436 -15.060 -10.426 1.00 0.00 O ATOM 724 CB ARG A 81 19.820 -11.769 -10.092 1.00 0.00 C ATOM 725 CG ARG A 81 19.414 -12.098 -11.539 1.00 0.00 C ATOM 726 CD ARG A 81 18.030 -12.757 -11.565 1.00 0.00 C ATOM 727 NE ARG A 81 17.465 -12.728 -12.919 1.00 0.00 N ATOM 728 CZ ARG A 81 16.248 -13.211 -13.219 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.505 -13.798 -12.270 1.00 0.00 N ATOM 730 NH2 ARG A 81 15.776 -13.107 -14.467 1.00 0.00 N ATOM 0 H ARG A 81 20.393 -11.713 -7.723 1.00 0.00 H new ATOM 0 HA ARG A 81 18.922 -13.514 -9.213 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.093 -11.087 -9.650 1.00 0.00 H new ATOM 0 HB3 ARG A 81 20.782 -11.257 -10.086 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.402 -11.187 -12.137 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.150 -12.764 -11.988 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.107 -13.788 -11.220 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.363 -12.239 -10.876 1.00 0.00 H new ATOM 0 HE ARG A 81 18.024 -12.321 -13.669 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.864 -13.878 -11.319 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.581 -14.164 -12.499 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.340 -12.661 -15.190 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.852 -13.474 -14.695 1.00 0.00 H new ATOM 744 N TRP A 82 22.169 -13.759 -9.848 1.00 0.00 N ATOM 745 CA TRP A 82 23.148 -14.619 -10.480 1.00 0.00 C ATOM 746 C TRP A 82 23.273 -15.962 -9.751 1.00 0.00 C ATOM 747 O TRP A 82 22.914 -16.997 -10.299 1.00 0.00 O ATOM 748 CB TRP A 82 24.503 -13.912 -10.541 1.00 0.00 C ATOM 749 CG TRP A 82 25.551 -14.707 -11.250 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.535 -15.407 -10.664 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.720 -14.929 -12.682 1.00 0.00 C ATOM 752 NE1 TRP A 82 27.298 -16.059 -11.598 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.837 -15.802 -12.874 1.00 0.00 C ATOM 754 CE3 TRP A 82 25.042 -14.494 -13.845 1.00 0.00 C ATOM 755 CZ2 TRP A 82 27.251 -16.222 -14.139 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.458 -14.917 -15.126 1.00 0.00 C ATOM 757 CH2 TRP A 82 26.557 -15.784 -15.270 1.00 0.00 C ATOM 0 H TRP A 82 22.560 -12.940 -9.382 1.00 0.00 H new ATOM 0 HA TRP A 82 22.809 -14.829 -11.495 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.382 -12.952 -11.043 1.00 0.00 H new ATOM 0 HB3 TRP A 82 24.841 -13.700 -9.527 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.703 -15.451 -9.598 1.00 0.00 H new ATOM 0 HE1 TRP A 82 28.098 -16.653 -11.380 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.195 -13.830 -13.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 28.101 -16.880 -14.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 24.929 -14.573 -16.002 1.00 0.00 H new ATOM 0 HH2 TRP A 82 26.864 -16.110 -16.253 1.00 0.00 H new ATOM 768 N GLN A 83 23.806 -15.940 -8.526 1.00 0.00 N ATOM 769 CA GLN A 83 24.089 -17.158 -7.768 1.00 0.00 C ATOM 770 C GLN A 83 22.843 -18.027 -7.566 1.00 0.00 C ATOM 771 O GLN A 83 22.955 -19.251 -7.532 1.00 0.00 O ATOM 772 CB GLN A 83 24.683 -16.774 -6.404 1.00 0.00 C ATOM 773 CG GLN A 83 26.042 -16.080 -6.581 1.00 0.00 C ATOM 774 CD GLN A 83 27.172 -17.098 -6.717 1.00 0.00 C ATOM 775 OE1 GLN A 83 27.854 -17.400 -5.743 1.00 0.00 O ATOM 776 NE2 GLN A 83 27.372 -17.626 -7.925 1.00 0.00 N ATOM 0 H GLN A 83 24.052 -15.080 -8.035 1.00 0.00 H new ATOM 0 HA GLN A 83 24.801 -17.750 -8.343 1.00 0.00 H new ATOM 0 HB2 GLN A 83 23.997 -16.112 -5.876 1.00 0.00 H new ATOM 0 HB3 GLN A 83 24.802 -17.666 -5.789 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.015 -15.443 -7.465 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.235 -15.431 -5.727 1.00 0.00 H new ATOM 0 HE21 GLN A 83 26.781 -17.346 -8.708 1.00 0.00 H new ATOM 0 HE22 GLN A 83 28.116 -18.309 -8.066 1.00 0.00 H new ATOM 785 N LYS A 84 21.669 -17.410 -7.408 1.00 0.00 N ATOM 786 CA LYS A 84 20.448 -18.151 -7.112 1.00 0.00 C ATOM 787 C LYS A 84 19.698 -18.582 -8.386 1.00 0.00 C ATOM 788 O LYS A 84 18.697 -19.289 -8.276 1.00 0.00 O ATOM 789 CB LYS A 84 19.550 -17.282 -6.217 1.00 0.00 C ATOM 790 CG LYS A 84 18.737 -18.167 -5.265 1.00 0.00 C ATOM 791 CD LYS A 84 17.607 -17.352 -4.614 1.00 0.00 C ATOM 792 CE LYS A 84 18.170 -16.154 -3.832 1.00 0.00 C ATOM 793 NZ LYS A 84 19.119 -16.585 -2.788 1.00 0.00 N ATOM 0 H LYS A 84 21.542 -16.401 -7.481 1.00 0.00 H new ATOM 0 HA LYS A 84 20.719 -19.070 -6.593 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.161 -16.584 -5.644 1.00 0.00 H new ATOM 0 HB3 LYS A 84 18.878 -16.685 -6.834 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.317 -19.011 -5.812 1.00 0.00 H new ATOM 0 HG3 LYS A 84 19.389 -18.578 -4.494 1.00 0.00 H new ATOM 0 HD2 LYS A 84 16.920 -16.998 -5.383 1.00 0.00 H new ATOM 0 HD3 LYS A 84 17.033 -17.991 -3.943 1.00 0.00 H new ATOM 0 HE2 LYS A 84 18.670 -15.472 -4.520 1.00 0.00 H new ATOM 0 HE3 LYS A 84 17.351 -15.600 -3.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 19.180 -15.854 -2.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 18.789 -17.476 -2.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 20.058 -16.729 -3.211 1.00 0.00 H new ATOM 807 N VAL A 85 20.156 -18.171 -9.589 1.00 0.00 N ATOM 808 CA VAL A 85 19.465 -18.546 -10.831 1.00 0.00 C ATOM 809 C VAL A 85 20.466 -18.900 -11.940 1.00 0.00 C ATOM 810 O VAL A 85 20.538 -20.056 -12.355 1.00 0.00 O ATOM 811 CB VAL A 85 18.531 -17.405 -11.289 1.00 0.00 C ATOM 812 CG1 VAL A 85 17.642 -17.902 -12.434 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.641 -16.942 -10.130 1.00 0.00 C ATOM 0 H VAL A 85 20.985 -17.591 -9.721 1.00 0.00 H new ATOM 0 HA VAL A 85 18.864 -19.433 -10.629 1.00 0.00 H new ATOM 0 HB VAL A 85 19.142 -16.568 -11.625 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.982 -17.097 -12.758 1.00 0.00 H new ATOM 0 HG12 VAL A 85 18.267 -18.217 -13.269 1.00 0.00 H new ATOM 0 HG13 VAL A 85 17.043 -18.746 -12.090 1.00 0.00 H new ATOM 0 HG21 VAL A 85 16.989 -16.137 -10.471 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.034 -17.777 -9.781 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.266 -16.581 -9.313 1.00 0.00 H new ATOM 823 N LEU A 86 21.220 -17.907 -12.434 1.00 0.00 N ATOM 824 CA LEU A 86 22.153 -18.122 -13.539 1.00 0.00 C ATOM 825 C LEU A 86 23.228 -19.132 -13.143 1.00 0.00 C ATOM 826 O LEU A 86 23.726 -19.112 -12.019 1.00 0.00 O ATOM 827 CB LEU A 86 22.821 -16.796 -13.942 1.00 0.00 C ATOM 828 CG LEU A 86 21.885 -15.891 -14.777 1.00 0.00 C ATOM 829 CD1 LEU A 86 21.360 -16.639 -16.008 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.710 -15.397 -13.931 1.00 0.00 C ATOM 0 H LEU A 86 21.199 -16.950 -12.083 1.00 0.00 H new ATOM 0 HA LEU A 86 21.590 -18.513 -14.387 1.00 0.00 H new ATOM 0 HB2 LEU A 86 23.132 -16.262 -13.044 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.724 -17.007 -14.516 1.00 0.00 H new ATOM 0 HG LEU A 86 22.465 -15.030 -15.110 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.704 -15.983 -16.580 1.00 0.00 H new ATOM 0 HD12 LEU A 86 22.199 -16.947 -16.632 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.803 -17.520 -15.688 1.00 0.00 H new ATOM 0 HD21 LEU A 86 20.065 -14.762 -14.539 1.00 0.00 H new ATOM 0 HD22 LEU A 86 20.139 -16.251 -13.567 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.087 -14.825 -13.083 1.00 0.00 H new