USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 372 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -153:sc= 1.21 (180deg=0.685) USER MOD Single : A 52 LYS NZ :NH3+ -136:sc= 1.11 (180deg=-1.6) USER MOD Single : A 53 LYS NZ :NH3+ 170:sc=-0.000445 (180deg=-0.16) USER MOD Single : A 57 GLN : amide:sc= 0.0754 X(o=0.075,f=-0.1) USER MOD Single : A 58 ASN : amide:sc= -1.43 K(o=-1.4,f=-0.52) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00199 USER MOD Single : A 64 LYS NZ :NH3+ -152:sc= 0.794 (180deg=-0.0895!) USER MOD Single : A 68 ASN : amide:sc= -0.0104 K(o=-0.01,f=-0.88) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00857 USER MOD Single : A 77 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.24) USER MOD Single : A 78 CYS SG : rot 68:sc= -0.0374 USER MOD Single : A 79 GLN : amide:sc= 0.104 X(o=0.1,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.0067) USER MOD Single : A 83 GLN : amide:sc= -0.0898 K(o=-0.09,f=-1.4) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.075 -8.632 -13.435 1.00 0.00 N ATOM 90 CA TRP A 43 14.359 -8.776 -14.104 1.00 0.00 C ATOM 91 C TRP A 43 14.146 -8.870 -15.610 1.00 0.00 C ATOM 92 O TRP A 43 13.757 -9.918 -16.122 1.00 0.00 O ATOM 93 CB TRP A 43 15.076 -10.021 -13.574 1.00 0.00 C ATOM 94 CG TRP A 43 16.036 -9.751 -12.461 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.763 -9.830 -11.148 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.436 -9.352 -12.540 1.00 0.00 C ATOM 97 NE1 TRP A 43 16.866 -9.512 -10.395 1.00 0.00 N ATOM 98 CE2 TRP A 43 17.943 -9.205 -11.209 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.337 -9.097 -13.600 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.265 -8.828 -10.949 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.670 -8.716 -13.342 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.132 -8.583 -12.020 1.00 0.00 C ATOM 0 HA TRP A 43 14.981 -7.905 -13.899 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.330 -10.736 -13.229 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.614 -10.493 -14.396 1.00 0.00 H new ATOM 0 HD1 TRP A 43 14.803 -10.107 -10.739 1.00 0.00 H new ATOM 0 HE1 TRP A 43 16.889 -9.503 -9.375 1.00 0.00 H new ATOM 0 HE3 TRP A 43 17.999 -9.195 -14.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.613 -8.727 -9.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.342 -8.525 -14.166 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.155 -8.292 -11.832 1.00 0.00 H new ATOM 113 N THR A 44 14.409 -7.767 -16.316 1.00 0.00 N ATOM 114 CA THR A 44 14.277 -7.722 -17.759 1.00 0.00 C ATOM 115 C THR A 44 15.403 -8.543 -18.389 1.00 0.00 C ATOM 116 O THR A 44 16.516 -8.576 -17.862 1.00 0.00 O ATOM 117 CB THR A 44 14.333 -6.259 -18.221 1.00 0.00 C ATOM 118 OG1 THR A 44 13.472 -5.482 -17.415 1.00 0.00 O ATOM 119 CG2 THR A 44 13.890 -6.152 -19.682 1.00 0.00 C ATOM 0 H THR A 44 14.717 -6.889 -15.898 1.00 0.00 H new ATOM 0 HA THR A 44 13.323 -8.147 -18.071 1.00 0.00 H new ATOM 0 HB THR A 44 15.356 -5.895 -18.130 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.507 -4.547 -17.706 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.933 -5.110 -20.000 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.552 -6.750 -20.308 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.868 -6.519 -19.780 1.00 0.00 H new ATOM 127 N ARG A 45 15.110 -9.208 -19.514 1.00 0.00 N ATOM 128 CA ARG A 45 16.091 -10.035 -20.203 1.00 0.00 C ATOM 129 C ARG A 45 17.374 -9.242 -20.459 1.00 0.00 C ATOM 130 O ARG A 45 18.467 -9.764 -20.275 1.00 0.00 O ATOM 131 CB ARG A 45 15.499 -10.542 -21.523 1.00 0.00 C ATOM 132 CG ARG A 45 16.573 -11.310 -22.299 1.00 0.00 C ATOM 133 CD ARG A 45 15.964 -11.964 -23.536 1.00 0.00 C ATOM 134 NE ARG A 45 17.021 -12.546 -24.369 1.00 0.00 N ATOM 135 CZ ARG A 45 16.781 -13.233 -25.496 1.00 0.00 C ATOM 136 NH1 ARG A 45 15.523 -13.423 -25.917 1.00 0.00 N ATOM 137 NH2 ARG A 45 17.806 -13.730 -26.199 1.00 0.00 N ATOM 0 H ARG A 45 14.194 -9.185 -19.963 1.00 0.00 H new ATOM 0 HA ARG A 45 16.341 -10.890 -19.575 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.644 -11.189 -21.326 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.135 -9.704 -22.117 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.373 -10.632 -22.594 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.020 -12.071 -21.659 1.00 0.00 H new ATOM 0 HD2 ARG A 45 15.258 -12.738 -23.237 1.00 0.00 H new ATOM 0 HD3 ARG A 45 15.404 -11.225 -24.109 1.00 0.00 H new ATOM 0 HE ARG A 45 17.990 -12.422 -24.076 1.00 0.00 H new ATOM 0 HH11 ARG A 45 14.743 -13.045 -25.380 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.346 -13.946 -26.775 1.00 0.00 H new ATOM 0 HH21 ARG A 45 18.763 -13.585 -25.877 1.00 0.00 H new ATOM 0 HH22 ARG A 45 17.630 -14.253 -27.057 1.00 0.00 H new ATOM 151 N GLU A 46 17.238 -7.982 -20.887 1.00 0.00 N ATOM 152 CA GLU A 46 18.389 -7.142 -21.175 1.00 0.00 C ATOM 153 C GLU A 46 19.272 -7.007 -19.930 1.00 0.00 C ATOM 154 O GLU A 46 20.495 -7.106 -20.026 1.00 0.00 O ATOM 155 CB GLU A 46 17.915 -5.770 -21.662 1.00 0.00 C ATOM 156 CG GLU A 46 19.077 -5.054 -22.353 1.00 0.00 C ATOM 157 CD GLU A 46 18.716 -3.617 -22.705 1.00 0.00 C ATOM 158 OE1 GLU A 46 17.514 -3.370 -22.936 1.00 0.00 O ATOM 159 OE2 GLU A 46 19.658 -2.795 -22.738 1.00 0.00 O ATOM 0 H GLU A 46 16.338 -7.528 -21.039 1.00 0.00 H new ATOM 0 HA GLU A 46 18.986 -7.604 -21.962 1.00 0.00 H new ATOM 0 HB2 GLU A 46 17.080 -5.884 -22.353 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.554 -5.177 -20.822 1.00 0.00 H new ATOM 0 HG2 GLU A 46 19.950 -5.062 -21.701 1.00 0.00 H new ATOM 0 HG3 GLU A 46 19.351 -5.594 -23.259 1.00 0.00 H new ATOM 166 N GLU A 47 18.650 -6.784 -18.764 1.00 0.00 N ATOM 167 CA GLU A 47 19.382 -6.640 -17.512 1.00 0.00 C ATOM 168 C GLU A 47 20.172 -7.918 -17.232 1.00 0.00 C ATOM 169 O GLU A 47 21.342 -7.851 -16.861 1.00 0.00 O ATOM 170 CB GLU A 47 18.400 -6.338 -16.366 1.00 0.00 C ATOM 171 CG GLU A 47 18.736 -4.984 -15.730 1.00 0.00 C ATOM 172 CD GLU A 47 18.644 -3.858 -16.752 1.00 0.00 C ATOM 173 OE1 GLU A 47 17.538 -3.690 -17.309 1.00 0.00 O ATOM 174 OE2 GLU A 47 19.680 -3.189 -16.955 1.00 0.00 O ATOM 0 H GLU A 47 17.638 -6.700 -18.669 1.00 0.00 H new ATOM 0 HA GLU A 47 20.083 -5.809 -17.589 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.378 -6.327 -16.745 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.453 -7.125 -15.614 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.052 -4.787 -14.905 1.00 0.00 H new ATOM 0 HG3 GLU A 47 19.741 -5.016 -15.310 1.00 0.00 H new ATOM 181 N ASP A 48 19.533 -9.082 -17.417 1.00 0.00 N ATOM 182 CA ASP A 48 20.196 -10.360 -17.207 1.00 0.00 C ATOM 183 C ASP A 48 21.382 -10.482 -18.161 1.00 0.00 C ATOM 184 O ASP A 48 22.483 -10.817 -17.736 1.00 0.00 O ATOM 185 CB ASP A 48 19.204 -11.507 -17.426 1.00 0.00 C ATOM 186 CG ASP A 48 18.368 -11.749 -16.178 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.973 -12.122 -15.152 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.136 -11.562 -16.270 1.00 0.00 O ATOM 0 H ASP A 48 18.559 -9.156 -17.711 1.00 0.00 H new ATOM 0 HA ASP A 48 20.563 -10.416 -16.182 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.551 -11.272 -18.266 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.745 -12.416 -17.688 1.00 0.00 H new ATOM 193 N GLU A 49 21.154 -10.202 -19.451 1.00 0.00 N ATOM 194 CA GLU A 49 22.205 -10.261 -20.458 1.00 0.00 C ATOM 195 C GLU A 49 23.401 -9.423 -20.002 1.00 0.00 C ATOM 196 O GLU A 49 24.541 -9.889 -20.049 1.00 0.00 O ATOM 197 CB GLU A 49 21.660 -9.754 -21.806 1.00 0.00 C ATOM 198 CG GLU A 49 21.584 -10.906 -22.821 1.00 0.00 C ATOM 199 CD GLU A 49 20.382 -11.814 -22.559 1.00 0.00 C ATOM 200 OE1 GLU A 49 20.298 -12.342 -21.428 1.00 0.00 O ATOM 201 OE2 GLU A 49 19.572 -11.969 -23.499 1.00 0.00 O ATOM 0 H GLU A 49 20.241 -9.931 -19.817 1.00 0.00 H new ATOM 0 HA GLU A 49 22.535 -11.292 -20.586 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.670 -9.319 -21.665 1.00 0.00 H new ATOM 0 HB3 GLU A 49 22.304 -8.963 -22.191 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.519 -10.498 -23.830 1.00 0.00 H new ATOM 0 HG3 GLU A 49 22.501 -11.494 -22.774 1.00 0.00 H new ATOM 208 N LYS A 50 23.135 -8.189 -19.552 1.00 0.00 N ATOM 209 CA LYS A 50 24.181 -7.304 -19.067 1.00 0.00 C ATOM 210 C LYS A 50 24.897 -7.953 -17.881 1.00 0.00 C ATOM 211 O LYS A 50 26.122 -7.950 -17.826 1.00 0.00 O ATOM 212 CB LYS A 50 23.573 -5.953 -18.645 1.00 0.00 C ATOM 213 CG LYS A 50 23.842 -4.882 -19.712 1.00 0.00 C ATOM 214 CD LYS A 50 22.818 -4.997 -20.844 1.00 0.00 C ATOM 215 CE LYS A 50 23.139 -3.964 -21.930 1.00 0.00 C ATOM 216 NZ LYS A 50 22.093 -3.937 -22.969 1.00 0.00 N ATOM 0 H LYS A 50 22.198 -7.788 -19.517 1.00 0.00 H new ATOM 0 HA LYS A 50 24.902 -7.130 -19.865 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.499 -6.063 -18.495 1.00 0.00 H new ATOM 0 HB3 LYS A 50 23.998 -5.639 -17.692 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.790 -3.890 -19.264 1.00 0.00 H new ATOM 0 HG3 LYS A 50 24.850 -4.999 -20.110 1.00 0.00 H new ATOM 0 HD2 LYS A 50 22.838 -6.002 -21.266 1.00 0.00 H new ATOM 0 HD3 LYS A 50 21.812 -4.833 -20.457 1.00 0.00 H new ATOM 0 HE2 LYS A 50 23.232 -2.976 -21.479 1.00 0.00 H new ATOM 0 HE3 LYS A 50 24.101 -4.199 -22.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 22.505 -3.616 -23.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 21.699 -4.892 -23.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.336 -3.284 -22.682 1.00 0.00 H new ATOM 230 N LEU A 51 24.126 -8.503 -16.932 1.00 0.00 N ATOM 231 CA LEU A 51 24.686 -9.123 -15.738 1.00 0.00 C ATOM 232 C LEU A 51 25.704 -10.200 -16.116 1.00 0.00 C ATOM 233 O LEU A 51 26.782 -10.243 -15.538 1.00 0.00 O ATOM 234 CB LEU A 51 23.552 -9.711 -14.880 1.00 0.00 C ATOM 235 CG LEU A 51 24.103 -10.260 -13.549 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.594 -9.112 -12.662 1.00 0.00 C ATOM 237 CD2 LEU A 51 22.993 -11.016 -12.817 1.00 0.00 C ATOM 0 H LEU A 51 23.107 -8.527 -16.976 1.00 0.00 H new ATOM 0 HA LEU A 51 25.209 -8.365 -15.154 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.805 -8.943 -14.681 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.051 -10.509 -15.428 1.00 0.00 H new ATOM 0 HG LEU A 51 24.937 -10.929 -13.762 1.00 0.00 H new ATOM 0 HD11 LEU A 51 24.980 -9.515 -11.726 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.386 -8.568 -13.177 1.00 0.00 H new ATOM 0 HD13 LEU A 51 23.766 -8.435 -12.451 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.378 -11.406 -11.875 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.163 -10.339 -12.617 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.646 -11.843 -13.437 1.00 0.00 H new ATOM 249 N LYS A 52 25.370 -11.072 -17.081 1.00 0.00 N ATOM 250 CA LYS A 52 26.282 -12.143 -17.483 1.00 0.00 C ATOM 251 C LYS A 52 27.614 -11.547 -17.939 1.00 0.00 C ATOM 252 O LYS A 52 28.664 -11.877 -17.393 1.00 0.00 O ATOM 253 CB LYS A 52 25.676 -12.997 -18.612 1.00 0.00 C ATOM 254 CG LYS A 52 24.188 -13.261 -18.368 1.00 0.00 C ATOM 255 CD LYS A 52 23.810 -14.649 -18.901 1.00 0.00 C ATOM 256 CE LYS A 52 22.319 -14.676 -19.251 1.00 0.00 C ATOM 257 NZ LYS A 52 22.077 -14.051 -20.563 1.00 0.00 N ATOM 0 H LYS A 52 24.486 -11.054 -17.589 1.00 0.00 H new ATOM 0 HA LYS A 52 26.448 -12.789 -16.621 1.00 0.00 H new ATOM 0 HB2 LYS A 52 25.806 -12.488 -19.567 1.00 0.00 H new ATOM 0 HB3 LYS A 52 26.210 -13.945 -18.681 1.00 0.00 H new ATOM 0 HG2 LYS A 52 23.969 -13.199 -17.302 1.00 0.00 H new ATOM 0 HG3 LYS A 52 23.588 -12.496 -18.862 1.00 0.00 H new ATOM 0 HD2 LYS A 52 24.405 -14.886 -19.783 1.00 0.00 H new ATOM 0 HD3 LYS A 52 24.032 -15.410 -18.153 1.00 0.00 H new ATOM 0 HE2 LYS A 52 21.962 -15.706 -19.263 1.00 0.00 H new ATOM 0 HE3 LYS A 52 21.751 -14.151 -18.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 21.248 -13.427 -20.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 22.910 -13.494 -20.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 21.902 -14.791 -21.273 1.00 0.00 H new ATOM 271 N LYS A 53 27.562 -10.670 -18.949 1.00 0.00 N ATOM 272 CA LYS A 53 28.757 -10.062 -19.513 1.00 0.00 C ATOM 273 C LYS A 53 29.564 -9.333 -18.438 1.00 0.00 C ATOM 274 O LYS A 53 30.784 -9.451 -18.404 1.00 0.00 O ATOM 275 CB LYS A 53 28.351 -9.098 -20.632 1.00 0.00 C ATOM 276 CG LYS A 53 29.605 -8.495 -21.273 1.00 0.00 C ATOM 277 CD LYS A 53 29.219 -7.737 -22.547 1.00 0.00 C ATOM 278 CE LYS A 53 30.424 -6.948 -23.071 1.00 0.00 C ATOM 279 NZ LYS A 53 31.559 -7.839 -23.380 1.00 0.00 N ATOM 0 H LYS A 53 26.693 -10.368 -19.391 1.00 0.00 H new ATOM 0 HA LYS A 53 29.394 -10.846 -19.923 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.764 -9.625 -21.384 1.00 0.00 H new ATOM 0 HB3 LYS A 53 27.719 -8.306 -20.231 1.00 0.00 H new ATOM 0 HG2 LYS A 53 30.096 -7.820 -20.571 1.00 0.00 H new ATOM 0 HG3 LYS A 53 30.319 -9.283 -21.510 1.00 0.00 H new ATOM 0 HD2 LYS A 53 28.874 -8.438 -23.307 1.00 0.00 H new ATOM 0 HD3 LYS A 53 28.391 -7.059 -22.340 1.00 0.00 H new ATOM 0 HE2 LYS A 53 30.138 -6.397 -23.967 1.00 0.00 H new ATOM 0 HE3 LYS A 53 30.730 -6.212 -22.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 32.292 -7.304 -23.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 31.955 -8.216 -22.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 31.231 -8.626 -23.976 1.00 0.00 H new ATOM 293 N LEU A 54 28.891 -8.572 -17.571 1.00 0.00 N ATOM 294 CA LEU A 54 29.567 -7.807 -16.533 1.00 0.00 C ATOM 295 C LEU A 54 30.244 -8.740 -15.529 1.00 0.00 C ATOM 296 O LEU A 54 31.395 -8.527 -15.175 1.00 0.00 O ATOM 297 CB LEU A 54 28.560 -6.893 -15.827 1.00 0.00 C ATOM 298 CG LEU A 54 28.122 -5.751 -16.759 1.00 0.00 C ATOM 299 CD1 LEU A 54 26.878 -5.076 -16.179 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.245 -4.713 -16.886 1.00 0.00 C ATOM 0 H LEU A 54 27.876 -8.473 -17.572 1.00 0.00 H new ATOM 0 HA LEU A 54 30.340 -7.193 -16.994 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.690 -7.472 -15.518 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.007 -6.481 -14.922 1.00 0.00 H new ATOM 0 HG LEU A 54 27.900 -6.161 -17.744 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.564 -4.265 -16.837 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.074 -5.807 -16.094 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.109 -4.674 -15.192 1.00 0.00 H new ATOM 0 HD21 LEU A 54 28.924 -3.909 -17.548 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.475 -4.303 -15.902 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.135 -5.189 -17.298 1.00 0.00 H new ATOM 312 N VAL A 55 29.535 -9.772 -15.066 1.00 0.00 N ATOM 313 CA VAL A 55 30.088 -10.712 -14.097 1.00 0.00 C ATOM 314 C VAL A 55 31.293 -11.438 -14.700 1.00 0.00 C ATOM 315 O VAL A 55 32.293 -11.642 -14.020 1.00 0.00 O ATOM 316 CB VAL A 55 28.996 -11.705 -13.666 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.621 -12.881 -12.907 1.00 0.00 C ATOM 318 CG2 VAL A 55 27.996 -10.996 -12.750 1.00 0.00 C ATOM 0 H VAL A 55 28.576 -9.975 -15.349 1.00 0.00 H new ATOM 0 HA VAL A 55 30.431 -10.172 -13.214 1.00 0.00 H new ATOM 0 HB VAL A 55 28.488 -12.079 -14.555 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.838 -13.578 -12.607 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.334 -13.393 -13.553 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.136 -12.510 -12.021 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.221 -11.699 -12.444 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.514 -10.620 -11.868 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.539 -10.163 -13.285 1.00 0.00 H new ATOM 328 N GLU A 56 31.193 -11.828 -15.971 1.00 0.00 N ATOM 329 CA GLU A 56 32.265 -12.542 -16.650 1.00 0.00 C ATOM 330 C GLU A 56 33.466 -11.617 -16.889 1.00 0.00 C ATOM 331 O GLU A 56 34.608 -12.018 -16.677 1.00 0.00 O ATOM 332 CB GLU A 56 31.732 -13.088 -17.979 1.00 0.00 C ATOM 333 CG GLU A 56 30.745 -14.234 -17.712 1.00 0.00 C ATOM 334 CD GLU A 56 29.883 -14.518 -18.939 1.00 0.00 C ATOM 335 OE1 GLU A 56 30.385 -14.272 -20.058 1.00 0.00 O ATOM 336 OE2 GLU A 56 28.738 -14.977 -18.734 1.00 0.00 O ATOM 0 H GLU A 56 30.372 -11.658 -16.552 1.00 0.00 H new ATOM 0 HA GLU A 56 32.603 -13.369 -16.025 1.00 0.00 H new ATOM 0 HB2 GLU A 56 31.238 -12.293 -18.537 1.00 0.00 H new ATOM 0 HB3 GLU A 56 32.558 -13.444 -18.594 1.00 0.00 H new ATOM 0 HG2 GLU A 56 31.295 -15.133 -17.435 1.00 0.00 H new ATOM 0 HG3 GLU A 56 30.106 -13.978 -16.867 1.00 0.00 H new ATOM 343 N GLN A 57 33.204 -10.384 -17.341 1.00 0.00 N ATOM 344 CA GLN A 57 34.257 -9.426 -17.656 1.00 0.00 C ATOM 345 C GLN A 57 34.941 -8.922 -16.387 1.00 0.00 C ATOM 346 O GLN A 57 36.165 -8.978 -16.274 1.00 0.00 O ATOM 347 CB GLN A 57 33.643 -8.246 -18.427 1.00 0.00 C ATOM 348 CG GLN A 57 34.722 -7.214 -18.786 1.00 0.00 C ATOM 349 CD GLN A 57 35.795 -7.822 -19.685 1.00 0.00 C ATOM 350 OE1 GLN A 57 35.656 -7.821 -20.905 1.00 0.00 O ATOM 351 NE2 GLN A 57 36.866 -8.338 -19.080 1.00 0.00 N ATOM 0 H GLN A 57 32.260 -10.030 -17.496 1.00 0.00 H new ATOM 0 HA GLN A 57 35.012 -9.920 -18.268 1.00 0.00 H new ATOM 0 HB2 GLN A 57 33.163 -8.609 -19.336 1.00 0.00 H new ATOM 0 HB3 GLN A 57 32.868 -7.774 -17.823 1.00 0.00 H new ATOM 0 HG2 GLN A 57 34.262 -6.364 -19.290 1.00 0.00 H new ATOM 0 HG3 GLN A 57 35.182 -6.833 -17.874 1.00 0.00 H new ATOM 0 HE21 GLN A 57 36.937 -8.316 -18.063 1.00 0.00 H new ATOM 0 HE22 GLN A 57 37.614 -8.755 -19.635 1.00 0.00 H new ATOM 360 N ASN A 58 34.147 -8.406 -15.449 1.00 0.00 N ATOM 361 CA ASN A 58 34.665 -7.815 -14.222 1.00 0.00 C ATOM 362 C ASN A 58 35.126 -8.903 -13.257 1.00 0.00 C ATOM 363 O ASN A 58 36.067 -8.695 -12.495 1.00 0.00 O ATOM 364 CB ASN A 58 33.573 -6.950 -13.559 1.00 0.00 C ATOM 365 CG ASN A 58 32.845 -6.042 -14.562 1.00 0.00 C ATOM 366 OD1 ASN A 58 31.713 -5.635 -14.315 1.00 0.00 O ATOM 367 ND2 ASN A 58 33.488 -5.725 -15.689 1.00 0.00 N ATOM 0 H ASN A 58 33.130 -8.387 -15.521 1.00 0.00 H new ATOM 0 HA ASN A 58 35.521 -7.187 -14.470 1.00 0.00 H new ATOM 0 HB2 ASN A 58 32.847 -7.600 -13.071 1.00 0.00 H new ATOM 0 HB3 ASN A 58 34.025 -6.335 -12.781 1.00 0.00 H new ATOM 0 HD21 ASN A 58 33.039 -5.125 -16.381 1.00 0.00 H new ATOM 0 HD22 ASN A 58 34.428 -6.083 -15.858 1.00 0.00 H new ATOM 374 N GLY A 59 34.451 -10.057 -13.286 1.00 0.00 N ATOM 375 CA GLY A 59 34.753 -11.161 -12.391 1.00 0.00 C ATOM 376 C GLY A 59 33.730 -11.176 -11.261 1.00 0.00 C ATOM 377 O GLY A 59 33.154 -10.138 -10.930 1.00 0.00 O ATOM 0 H GLY A 59 33.684 -10.244 -13.931 1.00 0.00 H new ATOM 0 HA2 GLY A 59 34.727 -12.105 -12.935 1.00 0.00 H new ATOM 0 HA3 GLY A 59 35.760 -11.054 -11.987 1.00 0.00 H new ATOM 381 N THR A 60 33.497 -12.351 -10.667 1.00 0.00 N ATOM 382 CA THR A 60 32.527 -12.492 -9.587 1.00 0.00 C ATOM 383 C THR A 60 33.153 -12.048 -8.256 1.00 0.00 C ATOM 384 O THR A 60 33.104 -12.779 -7.268 1.00 0.00 O ATOM 385 CB THR A 60 32.048 -13.953 -9.526 1.00 0.00 C ATOM 386 OG1 THR A 60 32.101 -14.529 -10.816 1.00 0.00 O ATOM 387 CG2 THR A 60 30.615 -14.002 -9.015 1.00 0.00 C ATOM 0 H THR A 60 33.971 -13.218 -10.920 1.00 0.00 H new ATOM 0 HA THR A 60 31.664 -11.853 -9.775 1.00 0.00 H new ATOM 0 HB THR A 60 32.697 -14.511 -8.851 1.00 0.00 H new ATOM 0 HG1 THR A 60 31.797 -15.460 -10.772 1.00 0.00 H new ATOM 0 HG21 THR A 60 30.279 -15.038 -8.973 1.00 0.00 H new ATOM 0 HG22 THR A 60 30.569 -13.565 -8.017 1.00 0.00 H new ATOM 0 HG23 THR A 60 29.969 -13.438 -9.688 1.00 0.00 H new ATOM 395 N ASP A 61 33.740 -10.843 -8.242 1.00 0.00 N ATOM 396 CA ASP A 61 34.373 -10.291 -7.054 1.00 0.00 C ATOM 397 C ASP A 61 33.333 -9.485 -6.261 1.00 0.00 C ATOM 398 O ASP A 61 32.201 -9.943 -6.092 1.00 0.00 O ATOM 399 CB ASP A 61 35.566 -9.428 -7.494 1.00 0.00 C ATOM 400 CG ASP A 61 36.517 -9.166 -6.332 1.00 0.00 C ATOM 401 OD1 ASP A 61 37.256 -10.109 -5.977 1.00 0.00 O ATOM 402 OD2 ASP A 61 36.485 -8.026 -5.822 1.00 0.00 O ATOM 0 H ASP A 61 33.785 -10.231 -9.057 1.00 0.00 H new ATOM 0 HA ASP A 61 34.747 -11.079 -6.400 1.00 0.00 H new ATOM 0 HB2 ASP A 61 36.102 -9.929 -8.300 1.00 0.00 H new ATOM 0 HB3 ASP A 61 35.205 -8.480 -7.892 1.00 0.00 H new ATOM 407 N ASP A 62 33.704 -8.288 -5.780 1.00 0.00 N ATOM 408 CA ASP A 62 32.784 -7.440 -5.036 1.00 0.00 C ATOM 409 C ASP A 62 31.611 -7.045 -5.926 1.00 0.00 C ATOM 410 O ASP A 62 31.788 -6.362 -6.937 1.00 0.00 O ATOM 411 CB ASP A 62 33.513 -6.194 -4.511 1.00 0.00 C ATOM 412 CG ASP A 62 33.415 -6.110 -2.993 1.00 0.00 C ATOM 413 OD1 ASP A 62 32.306 -5.773 -2.518 1.00 0.00 O ATOM 414 OD2 ASP A 62 34.443 -6.381 -2.337 1.00 0.00 O ATOM 0 H ASP A 62 34.637 -7.893 -5.898 1.00 0.00 H new ATOM 0 HA ASP A 62 32.401 -7.995 -4.180 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.560 -6.226 -4.811 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.081 -5.299 -4.958 1.00 0.00 H new ATOM 419 N TRP A 63 30.409 -7.478 -5.541 1.00 0.00 N ATOM 420 CA TRP A 63 29.200 -7.186 -6.290 1.00 0.00 C ATOM 421 C TRP A 63 28.876 -5.693 -6.232 1.00 0.00 C ATOM 422 O TRP A 63 28.084 -5.205 -7.033 1.00 0.00 O ATOM 423 CB TRP A 63 28.060 -8.030 -5.725 1.00 0.00 C ATOM 424 CG TRP A 63 28.213 -9.487 -6.011 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.790 -10.392 -5.202 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.826 -10.225 -7.204 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.804 -11.635 -5.787 1.00 0.00 N ATOM 428 CE2 TRP A 63 28.218 -11.591 -7.039 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.191 -9.884 -8.420 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.998 -12.556 -8.023 1.00 0.00 C ATOM 431 CZ3 TRP A 63 26.964 -10.853 -9.413 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.369 -12.186 -9.218 1.00 0.00 C ATOM 0 H TRP A 63 30.254 -8.039 -4.703 1.00 0.00 H new ATOM 0 HA TRP A 63 29.343 -7.439 -7.340 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.006 -7.881 -4.647 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.116 -7.681 -6.143 1.00 0.00 H new ATOM 0 HD1 TRP A 63 29.189 -10.172 -4.223 1.00 0.00 H new ATOM 0 HE1 TRP A 63 29.193 -12.474 -5.357 1.00 0.00 H new ATOM 0 HE3 TRP A 63 26.876 -8.865 -8.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 28.310 -13.578 -7.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.474 -10.572 -10.334 1.00 0.00 H new ATOM 0 HH2 TRP A 63 27.195 -12.923 -9.988 1.00 0.00 H new ATOM 443 N LYS A 64 29.497 -4.966 -5.292 1.00 0.00 N ATOM 444 CA LYS A 64 29.293 -3.533 -5.162 1.00 0.00 C ATOM 445 C LYS A 64 29.693 -2.835 -6.466 1.00 0.00 C ATOM 446 O LYS A 64 29.010 -1.919 -6.918 1.00 0.00 O ATOM 447 CB LYS A 64 30.141 -3.010 -3.990 1.00 0.00 C ATOM 448 CG LYS A 64 29.449 -1.809 -3.325 1.00 0.00 C ATOM 449 CD LYS A 64 28.916 -2.209 -1.941 1.00 0.00 C ATOM 450 CE LYS A 64 27.810 -3.261 -2.083 1.00 0.00 C ATOM 451 NZ LYS A 64 27.332 -3.712 -0.763 1.00 0.00 N ATOM 0 H LYS A 64 30.147 -5.359 -4.611 1.00 0.00 H new ATOM 0 HA LYS A 64 28.242 -3.323 -4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 64 30.290 -3.804 -3.258 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.128 -2.717 -4.348 1.00 0.00 H new ATOM 0 HG2 LYS A 64 30.152 -0.982 -3.228 1.00 0.00 H new ATOM 0 HG3 LYS A 64 28.629 -1.458 -3.952 1.00 0.00 H new ATOM 0 HD2 LYS A 64 29.728 -2.605 -1.331 1.00 0.00 H new ATOM 0 HD3 LYS A 64 28.528 -1.331 -1.425 1.00 0.00 H new ATOM 0 HE2 LYS A 64 26.978 -2.844 -2.651 1.00 0.00 H new ATOM 0 HE3 LYS A 64 28.186 -4.114 -2.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 26.976 -4.686 -0.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 28.116 -3.681 -0.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 26.566 -3.087 -0.439 1.00 0.00 H new ATOM 465 N VAL A 65 30.807 -3.279 -7.063 1.00 0.00 N ATOM 466 CA VAL A 65 31.322 -2.698 -8.295 1.00 0.00 C ATOM 467 C VAL A 65 30.312 -2.880 -9.427 1.00 0.00 C ATOM 468 O VAL A 65 30.031 -1.943 -10.170 1.00 0.00 O ATOM 469 CB VAL A 65 32.655 -3.377 -8.657 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.248 -2.720 -9.906 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.644 -3.241 -7.498 1.00 0.00 C ATOM 0 H VAL A 65 31.370 -4.049 -6.701 1.00 0.00 H new ATOM 0 HA VAL A 65 31.487 -1.630 -8.150 1.00 0.00 H new ATOM 0 HB VAL A 65 32.470 -4.433 -8.852 1.00 0.00 H new ATOM 0 HG11 VAL A 65 34.192 -3.204 -10.158 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.552 -2.826 -10.738 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.423 -1.662 -9.712 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.584 -3.724 -7.763 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.823 -2.185 -7.295 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.230 -3.716 -6.609 1.00 0.00 H new ATOM 481 N ILE A 66 29.779 -4.096 -9.559 1.00 0.00 N ATOM 482 CA ILE A 66 28.842 -4.421 -10.623 1.00 0.00 C ATOM 483 C ILE A 66 27.519 -3.681 -10.402 1.00 0.00 C ATOM 484 O ILE A 66 26.912 -3.190 -11.355 1.00 0.00 O ATOM 485 CB ILE A 66 28.627 -5.947 -10.681 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.953 -6.676 -10.378 1.00 0.00 C ATOM 487 CG2 ILE A 66 28.137 -6.326 -12.082 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.853 -8.155 -10.749 1.00 0.00 C ATOM 0 H ILE A 66 29.986 -4.875 -8.934 1.00 0.00 H new ATOM 0 HA ILE A 66 29.252 -4.098 -11.580 1.00 0.00 H new ATOM 0 HB ILE A 66 27.886 -6.241 -9.938 1.00 0.00 H new ATOM 0 HG12 ILE A 66 30.766 -6.210 -10.936 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.195 -6.577 -9.320 1.00 0.00 H new ATOM 0 HG21 ILE A 66 27.982 -7.404 -12.134 1.00 0.00 H new ATOM 0 HG22 ILE A 66 27.198 -5.814 -12.290 1.00 0.00 H new ATOM 0 HG23 ILE A 66 28.882 -6.031 -12.820 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.798 -8.650 -10.528 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.055 -8.622 -10.172 1.00 0.00 H new ATOM 0 HD13 ILE A 66 29.634 -8.249 -11.813 1.00 0.00 H new ATOM 500 N ALA A 67 27.080 -3.599 -9.140 1.00 0.00 N ATOM 501 CA ALA A 67 25.842 -2.920 -8.783 1.00 0.00 C ATOM 502 C ALA A 67 25.872 -1.463 -9.249 1.00 0.00 C ATOM 503 O ALA A 67 24.847 -0.927 -9.654 1.00 0.00 O ATOM 504 CB ALA A 67 25.650 -2.990 -7.269 1.00 0.00 C ATOM 0 H ALA A 67 27.576 -4.002 -8.345 1.00 0.00 H new ATOM 0 HA ALA A 67 25.007 -3.414 -9.279 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.725 -2.483 -6.996 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.598 -4.033 -6.957 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.490 -2.504 -6.773 1.00 0.00 H new ATOM 510 N ASN A 68 27.047 -0.823 -9.190 1.00 0.00 N ATOM 511 CA ASN A 68 27.186 0.570 -9.602 1.00 0.00 C ATOM 512 C ASN A 68 26.848 0.725 -11.088 1.00 0.00 C ATOM 513 O ASN A 68 26.321 1.758 -11.495 1.00 0.00 O ATOM 514 CB ASN A 68 28.617 1.051 -9.335 1.00 0.00 C ATOM 515 CG ASN A 68 28.956 1.007 -7.847 1.00 0.00 C ATOM 516 OD1 ASN A 68 28.075 1.122 -6.998 1.00 0.00 O ATOM 517 ND2 ASN A 68 30.241 0.842 -7.532 1.00 0.00 N ATOM 0 H ASN A 68 27.912 -1.252 -8.860 1.00 0.00 H new ATOM 0 HA ASN A 68 26.490 1.178 -9.023 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.320 0.428 -9.888 1.00 0.00 H new ATOM 0 HB3 ASN A 68 28.734 2.069 -9.706 1.00 0.00 H new ATOM 0 HD21 ASN A 68 30.526 0.807 -6.553 1.00 0.00 H new ATOM 0 HD22 ASN A 68 30.939 0.751 -8.270 1.00 0.00 H new ATOM 524 N TYR A 69 27.158 -0.297 -11.897 1.00 0.00 N ATOM 525 CA TYR A 69 26.910 -0.250 -13.333 1.00 0.00 C ATOM 526 C TYR A 69 25.444 -0.561 -13.637 1.00 0.00 C ATOM 527 O TYR A 69 24.847 0.072 -14.505 1.00 0.00 O ATOM 528 CB TYR A 69 27.821 -1.259 -14.046 1.00 0.00 C ATOM 529 CG TYR A 69 29.287 -1.162 -13.661 1.00 0.00 C ATOM 530 CD1 TYR A 69 29.879 0.089 -13.393 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.063 -2.333 -13.582 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.238 0.163 -13.044 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.421 -2.256 -13.235 1.00 0.00 C ATOM 534 CZ TYR A 69 32.008 -1.008 -12.965 1.00 0.00 C ATOM 535 OH TYR A 69 33.328 -0.934 -12.630 1.00 0.00 O ATOM 0 H TYR A 69 27.582 -1.167 -11.574 1.00 0.00 H new ATOM 0 HA TYR A 69 27.130 0.754 -13.695 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.467 -2.267 -13.829 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.730 -1.114 -15.123 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.288 0.991 -13.456 1.00 0.00 H new ATOM 0 HD2 TYR A 69 29.613 -3.293 -13.789 1.00 0.00 H new ATOM 0 HE1 TYR A 69 31.690 1.121 -12.836 1.00 0.00 H new ATOM 0 HE2 TYR A 69 32.015 -3.156 -13.176 1.00 0.00 H new ATOM 0 HH TYR A 69 33.714 -1.835 -12.619 1.00 0.00 H new ATOM 545 N LEU A 70 24.871 -1.542 -12.932 1.00 0.00 N ATOM 546 CA LEU A 70 23.494 -1.961 -13.164 1.00 0.00 C ATOM 547 C LEU A 70 22.520 -0.980 -12.483 1.00 0.00 C ATOM 548 O LEU A 70 22.593 -0.787 -11.272 1.00 0.00 O ATOM 549 CB LEU A 70 23.311 -3.377 -12.613 1.00 0.00 C ATOM 550 CG LEU A 70 24.121 -4.381 -13.445 1.00 0.00 C ATOM 551 CD1 LEU A 70 24.396 -5.626 -12.605 1.00 0.00 C ATOM 552 CD2 LEU A 70 23.330 -4.778 -14.697 1.00 0.00 C ATOM 0 H LEU A 70 25.347 -2.060 -12.193 1.00 0.00 H new ATOM 0 HA LEU A 70 23.280 -1.960 -14.233 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.632 -3.414 -11.572 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.255 -3.648 -12.630 1.00 0.00 H new ATOM 0 HG LEU A 70 25.063 -3.922 -13.746 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.971 -6.342 -13.193 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.963 -5.348 -11.716 1.00 0.00 H new ATOM 0 HD13 LEU A 70 23.451 -6.079 -12.306 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.910 -5.491 -15.283 1.00 0.00 H new ATOM 0 HD22 LEU A 70 22.386 -5.235 -14.401 1.00 0.00 H new ATOM 0 HD23 LEU A 70 23.131 -3.891 -15.298 1.00 0.00 H new ATOM 564 N PRO A 71 21.604 -0.351 -13.255 1.00 0.00 N ATOM 565 CA PRO A 71 20.661 0.615 -12.719 1.00 0.00 C ATOM 566 C PRO A 71 19.654 -0.050 -11.776 1.00 0.00 C ATOM 567 O PRO A 71 19.050 -1.062 -12.126 1.00 0.00 O ATOM 568 CB PRO A 71 19.952 1.220 -13.935 1.00 0.00 C ATOM 569 CG PRO A 71 20.343 0.365 -15.145 1.00 0.00 C ATOM 570 CD PRO A 71 21.471 -0.558 -14.685 1.00 0.00 C ATOM 0 HA PRO A 71 21.170 1.376 -12.128 1.00 0.00 H new ATOM 0 HB2 PRO A 71 18.871 1.218 -13.793 1.00 0.00 H new ATOM 0 HB3 PRO A 71 20.252 2.258 -14.081 1.00 0.00 H new ATOM 0 HG2 PRO A 71 19.491 -0.214 -15.502 1.00 0.00 H new ATOM 0 HG3 PRO A 71 20.671 0.993 -15.973 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.238 -1.599 -14.908 1.00 0.00 H new ATOM 0 HD3 PRO A 71 22.402 -0.323 -15.201 1.00 0.00 H new ATOM 578 N ASN A 72 19.474 0.542 -10.581 1.00 0.00 N ATOM 579 CA ASN A 72 18.517 0.057 -9.583 1.00 0.00 C ATOM 580 C ASN A 72 18.690 -1.444 -9.345 1.00 0.00 C ATOM 581 O ASN A 72 17.711 -2.192 -9.339 1.00 0.00 O ATOM 582 CB ASN A 72 17.089 0.373 -10.048 1.00 0.00 C ATOM 583 CG ASN A 72 16.917 1.866 -10.310 1.00 0.00 C ATOM 584 OD1 ASN A 72 16.812 2.654 -9.374 1.00 0.00 O ATOM 585 ND2 ASN A 72 16.888 2.255 -11.586 1.00 0.00 N ATOM 0 H ASN A 72 19.991 1.370 -10.285 1.00 0.00 H new ATOM 0 HA ASN A 72 18.705 0.565 -8.637 1.00 0.00 H new ATOM 0 HB2 ASN A 72 16.866 -0.187 -10.956 1.00 0.00 H new ATOM 0 HB3 ASN A 72 16.376 0.049 -9.290 1.00 0.00 H new ATOM 0 HD21 ASN A 72 16.775 3.242 -11.816 1.00 0.00 H new ATOM 0 HD22 ASN A 72 16.979 1.565 -12.332 1.00 0.00 H new ATOM 592 N ARG A 73 19.940 -1.879 -9.150 1.00 0.00 N ATOM 593 CA ARG A 73 20.260 -3.281 -8.925 1.00 0.00 C ATOM 594 C ARG A 73 21.201 -3.401 -7.735 1.00 0.00 C ATOM 595 O ARG A 73 22.412 -3.250 -7.878 1.00 0.00 O ATOM 596 CB ARG A 73 20.903 -3.847 -10.183 1.00 0.00 C ATOM 597 CG ARG A 73 19.842 -4.035 -11.275 1.00 0.00 C ATOM 598 CD ARG A 73 19.714 -5.519 -11.610 1.00 0.00 C ATOM 599 NE ARG A 73 18.553 -5.768 -12.471 1.00 0.00 N ATOM 600 CZ ARG A 73 17.289 -5.817 -12.014 1.00 0.00 C ATOM 601 NH1 ARG A 73 17.031 -5.651 -10.709 1.00 0.00 N ATOM 602 NH2 ARG A 73 16.283 -6.033 -12.867 1.00 0.00 N ATOM 0 H ARG A 73 20.754 -1.264 -9.145 1.00 0.00 H new ATOM 0 HA ARG A 73 19.354 -3.846 -8.705 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.685 -3.174 -10.536 1.00 0.00 H new ATOM 0 HB3 ARG A 73 21.380 -4.801 -9.960 1.00 0.00 H new ATOM 0 HG2 ARG A 73 18.883 -3.644 -10.936 1.00 0.00 H new ATOM 0 HG3 ARG A 73 20.119 -3.472 -12.167 1.00 0.00 H new ATOM 0 HD2 ARG A 73 20.621 -5.862 -12.109 1.00 0.00 H new ATOM 0 HD3 ARG A 73 19.619 -6.096 -10.690 1.00 0.00 H new ATOM 0 HE ARG A 73 18.712 -5.911 -13.468 1.00 0.00 H new ATOM 0 HH11 ARG A 73 17.796 -5.486 -10.055 1.00 0.00 H new ATOM 0 HH12 ARG A 73 16.070 -5.690 -10.370 1.00 0.00 H new ATOM 0 HH21 ARG A 73 16.475 -6.160 -13.861 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.323 -6.071 -12.524 1.00 0.00 H new ATOM 616 N THR A 74 20.632 -3.675 -6.562 1.00 0.00 N ATOM 617 CA THR A 74 21.397 -3.832 -5.337 1.00 0.00 C ATOM 618 C THR A 74 22.391 -4.986 -5.497 1.00 0.00 C ATOM 619 O THR A 74 22.090 -5.971 -6.162 1.00 0.00 O ATOM 620 CB THR A 74 20.421 -4.100 -4.183 1.00 0.00 C ATOM 621 OG1 THR A 74 19.365 -3.163 -4.238 1.00 0.00 O ATOM 622 CG2 THR A 74 21.138 -3.975 -2.839 1.00 0.00 C ATOM 0 H THR A 74 19.626 -3.794 -6.440 1.00 0.00 H new ATOM 0 HA THR A 74 21.964 -2.926 -5.121 1.00 0.00 H new ATOM 0 HB THR A 74 20.028 -5.112 -4.280 1.00 0.00 H new ATOM 0 HG1 THR A 74 18.739 -3.332 -3.503 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.432 -4.168 -2.031 1.00 0.00 H new ATOM 0 HG22 THR A 74 21.951 -4.700 -2.792 1.00 0.00 H new ATOM 0 HG23 THR A 74 21.543 -2.968 -2.735 1.00 0.00 H new ATOM 630 N ASP A 75 23.572 -4.858 -4.885 1.00 0.00 N ATOM 631 CA ASP A 75 24.610 -5.881 -4.962 1.00 0.00 C ATOM 632 C ASP A 75 24.058 -7.237 -4.518 1.00 0.00 C ATOM 633 O ASP A 75 24.348 -8.258 -5.142 1.00 0.00 O ATOM 634 CB ASP A 75 25.805 -5.459 -4.097 1.00 0.00 C ATOM 635 CG ASP A 75 25.401 -5.220 -2.644 1.00 0.00 C ATOM 636 OD1 ASP A 75 24.523 -4.357 -2.428 1.00 0.00 O ATOM 637 OD2 ASP A 75 25.987 -5.895 -1.771 1.00 0.00 O ATOM 0 H ASP A 75 23.831 -4.045 -4.326 1.00 0.00 H new ATOM 0 HA ASP A 75 24.944 -5.983 -5.995 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.573 -6.231 -4.138 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.245 -4.549 -4.505 1.00 0.00 H new ATOM 642 N VAL A 76 23.257 -7.245 -3.449 1.00 0.00 N ATOM 643 CA VAL A 76 22.647 -8.468 -2.950 1.00 0.00 C ATOM 644 C VAL A 76 21.724 -9.054 -4.023 1.00 0.00 C ATOM 645 O VAL A 76 21.648 -10.272 -4.182 1.00 0.00 O ATOM 646 CB VAL A 76 21.866 -8.161 -1.662 1.00 0.00 C ATOM 647 CG1 VAL A 76 21.200 -9.439 -1.139 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.822 -7.617 -0.595 1.00 0.00 C ATOM 0 H VAL A 76 23.018 -6.410 -2.914 1.00 0.00 H new ATOM 0 HA VAL A 76 23.419 -9.202 -2.720 1.00 0.00 H new ATOM 0 HB VAL A 76 21.101 -7.417 -1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.648 -9.214 -0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.513 -9.826 -1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.964 -10.187 -0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 76 22.265 -7.401 0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.591 -8.360 -0.383 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.291 -6.703 -0.959 1.00 0.00 H new ATOM 658 N GLN A 77 21.024 -8.179 -4.761 1.00 0.00 N ATOM 659 CA GLN A 77 20.110 -8.604 -5.808 1.00 0.00 C ATOM 660 C GLN A 77 20.900 -9.209 -6.964 1.00 0.00 C ATOM 661 O GLN A 77 20.515 -10.243 -7.503 1.00 0.00 O ATOM 662 CB GLN A 77 19.288 -7.399 -6.284 1.00 0.00 C ATOM 663 CG GLN A 77 18.048 -7.875 -7.047 1.00 0.00 C ATOM 664 CD GLN A 77 17.051 -8.550 -6.111 1.00 0.00 C ATOM 665 OE1 GLN A 77 16.692 -9.705 -6.314 1.00 0.00 O ATOM 666 NE2 GLN A 77 16.607 -7.825 -5.083 1.00 0.00 N ATOM 0 H GLN A 77 21.081 -7.167 -4.643 1.00 0.00 H new ATOM 0 HA GLN A 77 19.430 -9.362 -5.421 1.00 0.00 H new ATOM 0 HB2 GLN A 77 18.988 -6.793 -5.429 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.898 -6.764 -6.926 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.572 -7.027 -7.539 1.00 0.00 H new ATOM 0 HG3 GLN A 77 18.345 -8.572 -7.830 1.00 0.00 H new ATOM 0 HE21 GLN A 77 16.935 -6.868 -4.955 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.940 -8.228 -4.425 1.00 0.00 H new ATOM 675 N CYS A 78 22.007 -8.558 -7.342 1.00 0.00 N ATOM 676 CA CYS A 78 22.850 -9.036 -8.426 1.00 0.00 C ATOM 677 C CYS A 78 23.381 -10.426 -8.080 1.00 0.00 C ATOM 678 O CYS A 78 23.308 -11.346 -8.895 1.00 0.00 O ATOM 679 CB CYS A 78 24.016 -8.066 -8.647 1.00 0.00 C ATOM 680 SG CYS A 78 23.366 -6.430 -9.060 1.00 0.00 S ATOM 0 H CYS A 78 22.334 -7.696 -6.906 1.00 0.00 H new ATOM 0 HA CYS A 78 22.264 -9.093 -9.343 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.631 -8.009 -7.749 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.657 -8.428 -9.450 1.00 0.00 H new ATOM 0 HG CYS A 78 22.766 -5.927 -8.022 1.00 0.00 H new ATOM 686 N GLN A 79 23.917 -10.567 -6.859 1.00 0.00 N ATOM 687 CA GLN A 79 24.465 -11.827 -6.386 1.00 0.00 C ATOM 688 C GLN A 79 23.390 -12.910 -6.422 1.00 0.00 C ATOM 689 O GLN A 79 23.595 -13.961 -7.024 1.00 0.00 O ATOM 690 CB GLN A 79 25.002 -11.637 -4.963 1.00 0.00 C ATOM 691 CG GLN A 79 25.721 -12.910 -4.502 1.00 0.00 C ATOM 692 CD GLN A 79 26.191 -12.785 -3.056 1.00 0.00 C ATOM 693 OE1 GLN A 79 25.922 -13.659 -2.238 1.00 0.00 O ATOM 694 NE2 GLN A 79 26.895 -11.698 -2.741 1.00 0.00 N ATOM 0 H GLN A 79 23.978 -9.808 -6.181 1.00 0.00 H new ATOM 0 HA GLN A 79 25.283 -12.142 -7.034 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.688 -10.791 -4.934 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.182 -11.406 -4.283 1.00 0.00 H new ATOM 0 HG2 GLN A 79 25.050 -13.764 -4.597 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.576 -13.103 -5.150 1.00 0.00 H new ATOM 0 HE21 GLN A 79 27.096 -10.996 -3.453 1.00 0.00 H new ATOM 0 HE22 GLN A 79 27.233 -11.568 -1.788 1.00 0.00 H new ATOM 703 N HIS A 80 22.245 -12.650 -5.774 1.00 0.00 N ATOM 704 CA HIS A 80 21.143 -13.602 -5.728 1.00 0.00 C ATOM 705 C HIS A 80 20.754 -14.025 -7.135 1.00 0.00 C ATOM 706 O HIS A 80 20.693 -15.213 -7.428 1.00 0.00 O ATOM 707 CB HIS A 80 19.940 -12.964 -5.027 1.00 0.00 C ATOM 708 CG HIS A 80 19.987 -13.088 -3.528 1.00 0.00 C ATOM 709 ND1 HIS A 80 19.049 -12.479 -2.706 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.831 -13.750 -2.670 1.00 0.00 C ATOM 711 CE1 HIS A 80 19.373 -12.803 -1.441 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.453 -13.579 -1.348 1.00 0.00 N ATOM 0 H HIS A 80 22.065 -11.780 -5.273 1.00 0.00 H new ATOM 0 HA HIS A 80 21.461 -14.484 -5.171 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.890 -11.909 -5.295 1.00 0.00 H new ATOM 0 HB3 HIS A 80 19.026 -13.430 -5.394 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.684 -14.332 -2.987 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.811 -12.466 -0.582 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.894 -13.955 -0.508 1.00 0.00 H new ATOM 720 N ARG A 81 20.481 -13.051 -8.002 1.00 0.00 N ATOM 721 CA ARG A 81 20.067 -13.331 -9.361 1.00 0.00 C ATOM 722 C ARG A 81 21.060 -14.271 -10.034 1.00 0.00 C ATOM 723 O ARG A 81 20.666 -15.286 -10.588 1.00 0.00 O ATOM 724 CB ARG A 81 19.947 -12.015 -10.141 1.00 0.00 C ATOM 725 CG ARG A 81 19.511 -12.289 -11.590 1.00 0.00 C ATOM 726 CD ARG A 81 18.120 -12.930 -11.611 1.00 0.00 C ATOM 727 NE ARG A 81 17.531 -12.854 -12.953 1.00 0.00 N ATOM 728 CZ ARG A 81 16.307 -13.321 -13.246 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.590 -13.963 -12.313 1.00 0.00 N ATOM 730 NH2 ARG A 81 15.801 -13.147 -14.472 1.00 0.00 N ATOM 0 H ARG A 81 20.542 -12.058 -7.778 1.00 0.00 H new ATOM 0 HA ARG A 81 19.094 -13.823 -9.348 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.224 -11.361 -9.654 1.00 0.00 H new ATOM 0 HB3 ARG A 81 20.904 -11.493 -10.135 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.499 -11.358 -12.156 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.231 -12.948 -12.076 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.190 -13.972 -11.298 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.471 -12.425 -10.895 1.00 0.00 H new ATOM 0 HE ARG A 81 18.078 -12.425 -13.699 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.974 -14.098 -11.378 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.660 -14.317 -12.538 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.345 -12.660 -15.184 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.871 -13.502 -14.695 1.00 0.00 H new ATOM 744 N TRP A 82 22.348 -13.936 -9.998 1.00 0.00 N ATOM 745 CA TRP A 82 23.345 -14.744 -10.667 1.00 0.00 C ATOM 746 C TRP A 82 23.509 -16.113 -9.996 1.00 0.00 C ATOM 747 O TRP A 82 23.196 -17.136 -10.594 1.00 0.00 O ATOM 748 CB TRP A 82 24.684 -14.013 -10.706 1.00 0.00 C ATOM 749 CG TRP A 82 25.736 -14.778 -11.438 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.753 -15.449 -10.876 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.864 -15.013 -12.871 1.00 0.00 C ATOM 752 NE1 TRP A 82 27.503 -16.089 -11.829 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.997 -15.855 -13.092 1.00 0.00 C ATOM 754 CE3 TRP A 82 25.134 -14.614 -14.013 1.00 0.00 C ATOM 755 CZ2 TRP A 82 27.379 -16.278 -14.366 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.517 -15.044 -15.301 1.00 0.00 C ATOM 757 CH2 TRP A 82 26.634 -15.876 -15.474 1.00 0.00 C ATOM 0 H TRP A 82 22.716 -13.116 -9.515 1.00 0.00 H new ATOM 0 HA TRP A 82 23.000 -14.913 -11.687 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.549 -13.042 -11.182 1.00 0.00 H new ATOM 0 HB3 TRP A 82 25.020 -13.825 -9.686 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.954 -15.481 -9.815 1.00 0.00 H new ATOM 0 HE1 TRP A 82 28.324 -16.661 -11.631 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.273 -13.972 -13.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 28.244 -16.911 -14.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 24.945 -14.730 -16.162 1.00 0.00 H new ATOM 0 HH2 TRP A 82 26.916 -16.204 -16.464 1.00 0.00 H new ATOM 768 N GLN A 83 24.027 -16.124 -8.766 1.00 0.00 N ATOM 769 CA GLN A 83 24.346 -17.359 -8.057 1.00 0.00 C ATOM 770 C GLN A 83 23.128 -18.270 -7.883 1.00 0.00 C ATOM 771 O GLN A 83 23.254 -19.487 -8.000 1.00 0.00 O ATOM 772 CB GLN A 83 24.928 -17.009 -6.679 1.00 0.00 C ATOM 773 CG GLN A 83 26.307 -16.349 -6.830 1.00 0.00 C ATOM 774 CD GLN A 83 27.351 -17.343 -7.337 1.00 0.00 C ATOM 775 OE1 GLN A 83 27.180 -18.552 -7.209 1.00 0.00 O ATOM 776 NE2 GLN A 83 28.436 -16.830 -7.915 1.00 0.00 N ATOM 0 H GLN A 83 24.236 -15.277 -8.237 1.00 0.00 H new ATOM 0 HA GLN A 83 25.073 -17.907 -8.657 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.252 -16.336 -6.152 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.014 -17.912 -6.074 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.236 -15.510 -7.522 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.625 -15.944 -5.869 1.00 0.00 H new ATOM 0 HE21 GLN A 83 28.538 -15.819 -8.001 1.00 0.00 H new ATOM 0 HE22 GLN A 83 29.165 -17.448 -8.272 1.00 0.00 H new ATOM 785 N LYS A 84 21.963 -17.696 -7.573 1.00 0.00 N ATOM 786 CA LYS A 84 20.778 -18.487 -7.260 1.00 0.00 C ATOM 787 C LYS A 84 19.913 -18.786 -8.494 1.00 0.00 C ATOM 788 O LYS A 84 18.878 -19.436 -8.349 1.00 0.00 O ATOM 789 CB LYS A 84 19.962 -17.741 -6.192 1.00 0.00 C ATOM 790 CG LYS A 84 19.297 -18.742 -5.243 1.00 0.00 C ATOM 791 CD LYS A 84 18.652 -17.989 -4.077 1.00 0.00 C ATOM 792 CE LYS A 84 18.049 -18.991 -3.088 1.00 0.00 C ATOM 793 NZ LYS A 84 17.490 -18.302 -1.910 1.00 0.00 N ATOM 0 H LYS A 84 21.818 -16.687 -7.533 1.00 0.00 H new ATOM 0 HA LYS A 84 21.106 -19.456 -6.884 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.612 -17.071 -5.629 1.00 0.00 H new ATOM 0 HB3 LYS A 84 19.203 -17.122 -6.670 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.544 -19.321 -5.777 1.00 0.00 H new ATOM 0 HG3 LYS A 84 20.036 -19.450 -4.868 1.00 0.00 H new ATOM 0 HD2 LYS A 84 19.396 -17.370 -3.575 1.00 0.00 H new ATOM 0 HD3 LYS A 84 17.877 -17.318 -4.448 1.00 0.00 H new ATOM 0 HE2 LYS A 84 17.267 -19.568 -3.581 1.00 0.00 H new ATOM 0 HE3 LYS A 84 18.815 -19.699 -2.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 17.088 -19.003 -1.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 18.244 -17.771 -1.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.744 -17.645 -2.214 1.00 0.00 H new ATOM 807 N VAL A 85 20.307 -18.330 -9.702 1.00 0.00 N ATOM 808 CA VAL A 85 19.505 -18.590 -10.905 1.00 0.00 C ATOM 809 C VAL A 85 20.400 -18.924 -12.108 1.00 0.00 C ATOM 810 O VAL A 85 20.240 -19.984 -12.711 1.00 0.00 O ATOM 811 CB VAL A 85 18.591 -17.385 -11.218 1.00 0.00 C ATOM 812 CG1 VAL A 85 17.473 -17.830 -12.164 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.964 -16.826 -9.930 1.00 0.00 C ATOM 0 H VAL A 85 21.158 -17.792 -9.864 1.00 0.00 H new ATOM 0 HA VAL A 85 18.875 -19.458 -10.709 1.00 0.00 H new ATOM 0 HB VAL A 85 19.193 -16.605 -11.684 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.826 -16.982 -12.387 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.908 -18.208 -13.089 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.888 -18.618 -11.690 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.324 -15.978 -10.175 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.369 -17.602 -9.448 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.753 -16.501 -9.252 1.00 0.00 H new ATOM 823 N LEU A 86 21.329 -18.027 -12.470 1.00 0.00 N ATOM 824 CA LEU A 86 22.198 -18.246 -13.629 1.00 0.00 C ATOM 825 C LEU A 86 23.244 -19.314 -13.318 1.00 0.00 C ATOM 826 O LEU A 86 23.436 -19.697 -12.165 1.00 0.00 O ATOM 827 CB LEU A 86 22.908 -16.939 -14.030 1.00 0.00 C ATOM 828 CG LEU A 86 21.990 -15.995 -14.834 1.00 0.00 C ATOM 829 CD1 LEU A 86 21.452 -16.697 -16.086 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.831 -15.513 -13.966 1.00 0.00 C ATOM 0 H LEU A 86 21.495 -17.149 -11.978 1.00 0.00 H new ATOM 0 HA LEU A 86 21.575 -18.583 -14.457 1.00 0.00 H new ATOM 0 HB2 LEU A 86 23.255 -16.427 -13.133 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.791 -17.176 -14.624 1.00 0.00 H new ATOM 0 HG LEU A 86 22.579 -15.133 -15.146 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.807 -16.013 -16.638 1.00 0.00 H new ATOM 0 HD12 LEU A 86 22.285 -17.001 -16.719 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.880 -17.577 -15.792 1.00 0.00 H new ATOM 0 HD21 LEU A 86 20.193 -14.848 -14.548 1.00 0.00 H new ATOM 0 HD22 LEU A 86 20.249 -16.370 -13.627 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.222 -14.976 -13.102 1.00 0.00 H new