USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 372 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 HIS : no HD1:sc= -0.0529 K(o=0.12,f=-0.6) USER MOD Set 1.2: A 84 LYS NZ :NH3+ -159:sc= 0.172 (180deg=-0.268) USER MOD Set 2.1: A 79 GLN : amide:sc= 0.96 K(o=1.8,f=-0.68) USER MOD Set 2.2: A 83 GLN : amide:sc= 0.828 K(o=1.8,f=-2.6!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 147:sc= 2.07 (180deg=-1.08!) USER MOD Single : A 52 LYS NZ :NH3+ -169:sc= 1.55 (180deg=1.39) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= 0.00926 K(o=0.0093,f=-5.2!) USER MOD Single : A 60 THR OG1 : rot 83:sc= 1.88 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.0136 K(o=-0.014,f=-1) 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= 0.00839 USER MOD Single : A 77 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.26) USER MOD Single : A 78 CYS SG : rot 67:sc= 0.309 USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.298 -8.908 -12.951 1.00 0.00 N ATOM 90 CA TRP A 43 14.401 -8.644 -13.880 1.00 0.00 C ATOM 91 C TRP A 43 13.901 -8.650 -15.331 1.00 0.00 C ATOM 92 O TRP A 43 12.728 -8.919 -15.594 1.00 0.00 O ATOM 93 CB TRP A 43 15.529 -9.671 -13.674 1.00 0.00 C ATOM 94 CG TRP A 43 16.456 -9.355 -12.546 1.00 0.00 C ATOM 95 CD1 TRP A 43 16.162 -9.439 -11.240 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.839 -8.900 -12.601 1.00 0.00 C ATOM 97 NE1 TRP A 43 17.237 -9.072 -10.467 1.00 0.00 N ATOM 98 CE2 TRP A 43 18.313 -8.723 -11.263 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.746 -8.618 -13.644 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.612 -8.287 -10.981 1.00 0.00 C ATOM 101 CZ3 TRP A 43 20.052 -8.169 -13.368 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.486 -8.005 -12.039 1.00 0.00 C ATOM 0 HA TRP A 43 14.803 -7.652 -13.673 1.00 0.00 H new ATOM 0 HB2 TRP A 43 15.084 -10.650 -13.498 1.00 0.00 H new ATOM 0 HB3 TRP A 43 16.109 -9.745 -14.594 1.00 0.00 H new ATOM 0 HD1 TRP A 43 15.206 -9.754 -10.848 1.00 0.00 H new ATOM 0 HE1 TRP A 43 17.241 -9.059 -9.447 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.434 -8.748 -14.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.938 -8.169 -9.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.726 -7.949 -14.183 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.490 -7.663 -11.836 1.00 0.00 H new ATOM 113 N THR A 44 14.806 -8.339 -16.270 1.00 0.00 N ATOM 114 CA THR A 44 14.486 -8.299 -17.691 1.00 0.00 C ATOM 115 C THR A 44 15.633 -8.923 -18.480 1.00 0.00 C ATOM 116 O THR A 44 16.762 -8.979 -17.993 1.00 0.00 O ATOM 117 CB THR A 44 14.264 -6.845 -18.131 1.00 0.00 C ATOM 118 OG1 THR A 44 15.414 -6.080 -17.836 1.00 0.00 O ATOM 119 CG2 THR A 44 13.057 -6.252 -17.400 1.00 0.00 C ATOM 0 H THR A 44 15.777 -8.110 -16.059 1.00 0.00 H new ATOM 0 HA THR A 44 13.573 -8.863 -17.880 1.00 0.00 H new ATOM 0 HB THR A 44 14.076 -6.825 -19.205 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.271 -5.153 -18.119 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.909 -5.221 -17.720 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.167 -6.836 -17.634 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.235 -6.277 -16.325 1.00 0.00 H new ATOM 127 N ARG A 45 15.339 -9.390 -19.701 1.00 0.00 N ATOM 128 CA ARG A 45 16.340 -10.014 -20.558 1.00 0.00 C ATOM 129 C ARG A 45 17.550 -9.090 -20.711 1.00 0.00 C ATOM 130 O ARG A 45 18.679 -9.521 -20.528 1.00 0.00 O ATOM 131 CB ARG A 45 15.722 -10.328 -21.929 1.00 0.00 C ATOM 132 CG ARG A 45 15.792 -11.835 -22.194 1.00 0.00 C ATOM 133 CD ARG A 45 15.263 -12.140 -23.601 1.00 0.00 C ATOM 134 NE ARG A 45 16.127 -11.550 -24.635 1.00 0.00 N ATOM 135 CZ ARG A 45 17.319 -12.068 -24.989 1.00 0.00 C ATOM 136 NH1 ARG A 45 17.758 -13.204 -24.428 1.00 0.00 N ATOM 137 NH2 ARG A 45 18.070 -11.445 -25.906 1.00 0.00 N ATOM 0 H ARG A 45 14.408 -9.344 -20.114 1.00 0.00 H new ATOM 0 HA ARG A 45 16.676 -10.946 -20.102 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.686 -9.992 -21.957 1.00 0.00 H new ATOM 0 HB3 ARG A 45 16.254 -9.786 -22.711 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.821 -12.183 -22.099 1.00 0.00 H new ATOM 0 HG3 ARG A 45 15.204 -12.372 -21.450 1.00 0.00 H new ATOM 0 HD2 ARG A 45 15.205 -13.219 -23.744 1.00 0.00 H new ATOM 0 HD3 ARG A 45 14.250 -11.750 -23.704 1.00 0.00 H new ATOM 0 HE ARG A 45 15.807 -10.705 -25.108 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.188 -13.681 -23.729 1.00 0.00 H new ATOM 0 HH12 ARG A 45 18.661 -13.591 -24.700 1.00 0.00 H new ATOM 0 HH21 ARG A 45 17.739 -10.581 -26.334 1.00 0.00 H new ATOM 0 HH22 ARG A 45 18.973 -11.835 -26.176 1.00 0.00 H new ATOM 151 N GLU A 46 17.302 -7.817 -21.045 1.00 0.00 N ATOM 152 CA GLU A 46 18.366 -6.838 -21.224 1.00 0.00 C ATOM 153 C GLU A 46 19.280 -6.818 -19.998 1.00 0.00 C ATOM 154 O GLU A 46 20.496 -6.934 -20.131 1.00 0.00 O ATOM 155 CB GLU A 46 17.736 -5.455 -21.475 1.00 0.00 C ATOM 156 CG GLU A 46 18.746 -4.323 -21.206 1.00 0.00 C ATOM 157 CD GLU A 46 20.068 -4.546 -21.939 1.00 0.00 C ATOM 158 OE1 GLU A 46 20.007 -4.986 -23.106 1.00 0.00 O ATOM 159 OE2 GLU A 46 21.116 -4.265 -21.313 1.00 0.00 O ATOM 0 H GLU A 46 16.364 -7.445 -21.196 1.00 0.00 H new ATOM 0 HA GLU A 46 18.978 -7.108 -22.085 1.00 0.00 H new ATOM 0 HB2 GLU A 46 17.385 -5.395 -22.505 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.864 -5.328 -20.833 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.315 -3.372 -21.518 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.934 -4.252 -20.135 1.00 0.00 H new ATOM 166 N GLU A 47 18.698 -6.665 -18.806 1.00 0.00 N ATOM 167 CA GLU A 47 19.478 -6.591 -17.582 1.00 0.00 C ATOM 168 C GLU A 47 20.237 -7.902 -17.346 1.00 0.00 C ATOM 169 O GLU A 47 21.383 -7.875 -16.908 1.00 0.00 O ATOM 170 CB GLU A 47 18.555 -6.262 -16.407 1.00 0.00 C ATOM 171 CG GLU A 47 19.351 -5.562 -15.302 1.00 0.00 C ATOM 172 CD GLU A 47 19.431 -4.058 -15.551 1.00 0.00 C ATOM 173 OE1 GLU A 47 20.139 -3.673 -16.511 1.00 0.00 O ATOM 174 OE2 GLU A 47 18.783 -3.322 -14.777 1.00 0.00 O ATOM 0 H GLU A 47 17.690 -6.591 -18.669 1.00 0.00 H new ATOM 0 HA GLU A 47 20.219 -5.797 -17.674 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.739 -5.621 -16.742 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.104 -7.176 -16.020 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.881 -5.749 -14.337 1.00 0.00 H new ATOM 0 HG3 GLU A 47 20.357 -5.980 -15.254 1.00 0.00 H new ATOM 181 N ASP A 48 19.607 -9.048 -17.640 1.00 0.00 N ATOM 182 CA ASP A 48 20.255 -10.344 -17.469 1.00 0.00 C ATOM 183 C ASP A 48 21.445 -10.457 -18.424 1.00 0.00 C ATOM 184 O ASP A 48 22.491 -10.995 -18.054 1.00 0.00 O ATOM 185 CB ASP A 48 19.246 -11.472 -17.722 1.00 0.00 C ATOM 186 CG ASP A 48 18.276 -11.621 -16.555 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.760 -11.624 -15.402 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.063 -11.738 -16.831 1.00 0.00 O ATOM 0 H ASP A 48 18.652 -9.098 -17.996 1.00 0.00 H new ATOM 0 HA ASP A 48 20.621 -10.433 -16.446 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.689 -11.266 -18.636 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.778 -12.411 -17.877 1.00 0.00 H new ATOM 193 N GLU A 49 21.293 -9.948 -19.653 1.00 0.00 N ATOM 194 CA GLU A 49 22.370 -9.961 -20.632 1.00 0.00 C ATOM 195 C GLU A 49 23.497 -9.062 -20.134 1.00 0.00 C ATOM 196 O GLU A 49 24.666 -9.444 -20.175 1.00 0.00 O ATOM 197 CB GLU A 49 21.849 -9.474 -21.995 1.00 0.00 C ATOM 198 CG GLU A 49 21.505 -10.672 -22.890 1.00 0.00 C ATOM 199 CD GLU A 49 20.262 -11.401 -22.395 1.00 0.00 C ATOM 200 OE1 GLU A 49 20.424 -12.260 -21.500 1.00 0.00 O ATOM 201 OE2 GLU A 49 19.174 -11.089 -22.924 1.00 0.00 O ATOM 0 H GLU A 49 20.429 -9.522 -19.987 1.00 0.00 H new ATOM 0 HA GLU A 49 22.747 -10.976 -20.757 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.966 -8.851 -21.853 1.00 0.00 H new ATOM 0 HB3 GLU A 49 22.602 -8.853 -22.480 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.344 -10.329 -23.912 1.00 0.00 H new ATOM 0 HG3 GLU A 49 22.348 -11.363 -22.914 1.00 0.00 H new ATOM 208 N LYS A 50 23.135 -7.868 -19.657 1.00 0.00 N ATOM 209 CA LYS A 50 24.094 -6.918 -19.126 1.00 0.00 C ATOM 210 C LYS A 50 24.872 -7.565 -17.979 1.00 0.00 C ATOM 211 O LYS A 50 26.093 -7.444 -17.910 1.00 0.00 O ATOM 212 CB LYS A 50 23.342 -5.666 -18.656 1.00 0.00 C ATOM 213 CG LYS A 50 24.322 -4.502 -18.472 1.00 0.00 C ATOM 214 CD LYS A 50 23.621 -3.318 -17.782 1.00 0.00 C ATOM 215 CE LYS A 50 22.725 -2.555 -18.771 1.00 0.00 C ATOM 216 NZ LYS A 50 21.384 -3.164 -18.880 1.00 0.00 N ATOM 0 H LYS A 50 22.169 -7.541 -19.632 1.00 0.00 H new ATOM 0 HA LYS A 50 24.810 -6.626 -19.895 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.577 -5.396 -19.385 1.00 0.00 H new ATOM 0 HB3 LYS A 50 22.829 -5.872 -17.717 1.00 0.00 H new ATOM 0 HG2 LYS A 50 25.175 -4.826 -17.876 1.00 0.00 H new ATOM 0 HG3 LYS A 50 24.711 -4.189 -19.441 1.00 0.00 H new ATOM 0 HD2 LYS A 50 23.021 -3.682 -16.948 1.00 0.00 H new ATOM 0 HD3 LYS A 50 24.367 -2.641 -17.366 1.00 0.00 H new ATOM 0 HE2 LYS A 50 22.628 -1.518 -18.448 1.00 0.00 H new ATOM 0 HE3 LYS A 50 23.198 -2.540 -19.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.678 -2.420 -19.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 21.374 -3.842 -19.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.155 -3.659 -17.995 1.00 0.00 H new ATOM 230 N LEU A 51 24.157 -8.259 -17.083 1.00 0.00 N ATOM 231 CA LEU A 51 24.774 -8.925 -15.948 1.00 0.00 C ATOM 232 C LEU A 51 25.751 -9.992 -16.440 1.00 0.00 C ATOM 233 O LEU A 51 26.870 -10.069 -15.949 1.00 0.00 O ATOM 234 CB LEU A 51 23.680 -9.541 -15.061 1.00 0.00 C ATOM 235 CG LEU A 51 24.279 -10.041 -13.734 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.774 -8.856 -12.898 1.00 0.00 C ATOM 237 CD2 LEU A 51 23.206 -10.793 -12.942 1.00 0.00 C ATOM 0 H LEU A 51 23.144 -8.369 -17.131 1.00 0.00 H new ATOM 0 HA LEU A 51 25.334 -8.202 -15.355 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.906 -8.800 -14.861 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.202 -10.368 -15.585 1.00 0.00 H new ATOM 0 HG LEU A 51 25.116 -10.704 -13.953 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.196 -9.222 -11.962 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.539 -8.314 -13.453 1.00 0.00 H new ATOM 0 HD13 LEU A 51 23.940 -8.188 -12.684 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.629 -11.148 -12.002 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.371 -10.124 -12.735 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.853 -11.644 -13.525 1.00 0.00 H new ATOM 249 N LYS A 52 25.331 -10.812 -17.415 1.00 0.00 N ATOM 250 CA LYS A 52 26.188 -11.858 -17.967 1.00 0.00 C ATOM 251 C LYS A 52 27.487 -11.248 -18.497 1.00 0.00 C ATOM 252 O LYS A 52 28.571 -11.722 -18.166 1.00 0.00 O ATOM 253 CB LYS A 52 25.445 -12.605 -19.086 1.00 0.00 C ATOM 254 CG LYS A 52 24.698 -13.808 -18.498 1.00 0.00 C ATOM 255 CD LYS A 52 24.123 -14.689 -19.617 1.00 0.00 C ATOM 256 CE LYS A 52 23.096 -13.915 -20.455 1.00 0.00 C ATOM 257 NZ LYS A 52 22.024 -13.350 -19.615 1.00 0.00 N ATOM 0 H LYS A 52 24.402 -10.767 -17.834 1.00 0.00 H new ATOM 0 HA LYS A 52 26.438 -12.569 -17.179 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.742 -11.934 -19.579 1.00 0.00 H new ATOM 0 HB3 LYS A 52 26.152 -12.940 -19.845 1.00 0.00 H new ATOM 0 HG2 LYS A 52 25.375 -14.395 -17.878 1.00 0.00 H new ATOM 0 HG3 LYS A 52 23.892 -13.461 -17.851 1.00 0.00 H new ATOM 0 HD2 LYS A 52 24.931 -15.040 -20.259 1.00 0.00 H new ATOM 0 HD3 LYS A 52 23.653 -15.572 -19.184 1.00 0.00 H new ATOM 0 HE2 LYS A 52 23.597 -13.112 -20.995 1.00 0.00 H new ATOM 0 HE3 LYS A 52 22.661 -14.579 -21.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 21.256 -12.998 -20.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 21.654 -14.087 -18.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 22.404 -12.566 -19.048 1.00 0.00 H new ATOM 271 N LYS A 53 27.375 -10.201 -19.321 1.00 0.00 N ATOM 272 CA LYS A 53 28.539 -9.547 -19.906 1.00 0.00 C ATOM 273 C LYS A 53 29.462 -9.007 -18.807 1.00 0.00 C ATOM 274 O LYS A 53 30.676 -9.189 -18.874 1.00 0.00 O ATOM 275 CB LYS A 53 28.075 -8.417 -20.834 1.00 0.00 C ATOM 276 CG LYS A 53 27.468 -9.018 -22.109 1.00 0.00 C ATOM 277 CD LYS A 53 27.063 -7.903 -23.085 1.00 0.00 C ATOM 278 CE LYS A 53 25.884 -7.104 -22.516 1.00 0.00 C ATOM 279 NZ LYS A 53 25.251 -6.272 -23.557 1.00 0.00 N ATOM 0 H LYS A 53 26.483 -9.790 -19.596 1.00 0.00 H new ATOM 0 HA LYS A 53 29.106 -10.274 -20.488 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.338 -7.795 -20.326 1.00 0.00 H new ATOM 0 HB3 LYS A 53 28.916 -7.772 -21.088 1.00 0.00 H new ATOM 0 HG2 LYS A 53 28.189 -9.682 -22.585 1.00 0.00 H new ATOM 0 HG3 LYS A 53 26.597 -9.622 -21.855 1.00 0.00 H new ATOM 0 HD2 LYS A 53 27.910 -7.240 -23.262 1.00 0.00 H new ATOM 0 HD3 LYS A 53 26.789 -8.334 -24.048 1.00 0.00 H new ATOM 0 HE2 LYS A 53 25.147 -7.788 -22.096 1.00 0.00 H new ATOM 0 HE3 LYS A 53 26.231 -6.469 -21.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 24.457 -5.743 -23.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 25.950 -5.604 -23.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 24.899 -6.882 -24.323 1.00 0.00 H new ATOM 293 N LEU A 54 28.889 -8.341 -17.797 1.00 0.00 N ATOM 294 CA LEU A 54 29.674 -7.773 -16.708 1.00 0.00 C ATOM 295 C LEU A 54 30.391 -8.880 -15.933 1.00 0.00 C ATOM 296 O LEU A 54 31.602 -8.816 -15.750 1.00 0.00 O ATOM 297 CB LEU A 54 28.758 -6.965 -15.782 1.00 0.00 C ATOM 298 CG LEU A 54 28.352 -5.645 -16.458 1.00 0.00 C ATOM 299 CD1 LEU A 54 27.224 -4.995 -15.657 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.553 -4.692 -16.516 1.00 0.00 C ATOM 0 H LEU A 54 27.884 -8.185 -17.716 1.00 0.00 H new ATOM 0 HA LEU A 54 30.432 -7.107 -17.121 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.869 -7.547 -15.540 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.270 -6.759 -14.842 1.00 0.00 H new ATOM 0 HG LEU A 54 28.013 -5.851 -17.473 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.933 -4.059 -16.133 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.367 -5.667 -15.624 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.567 -4.795 -14.642 1.00 0.00 H new ATOM 0 HD21 LEU A 54 29.255 -3.760 -16.997 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.901 -4.484 -15.504 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.357 -5.154 -17.088 1.00 0.00 H new ATOM 312 N VAL A 55 29.645 -9.893 -15.480 1.00 0.00 N ATOM 313 CA VAL A 55 30.219 -11.005 -14.730 1.00 0.00 C ATOM 314 C VAL A 55 31.351 -11.645 -15.538 1.00 0.00 C ATOM 315 O VAL A 55 32.408 -11.944 -14.991 1.00 0.00 O ATOM 316 CB VAL A 55 29.115 -12.026 -14.406 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.737 -13.334 -13.905 1.00 0.00 C ATOM 318 CG2 VAL A 55 28.196 -11.458 -13.319 1.00 0.00 C ATOM 0 H VAL A 55 28.637 -9.962 -15.623 1.00 0.00 H new ATOM 0 HA VAL A 55 30.639 -10.644 -13.791 1.00 0.00 H new ATOM 0 HB VAL A 55 28.541 -12.224 -15.311 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.946 -14.050 -13.679 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.389 -13.745 -14.676 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.318 -13.139 -13.004 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.414 -12.181 -13.089 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.778 -11.255 -12.420 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.742 -10.533 -13.674 1.00 0.00 H new ATOM 328 N GLU A 56 31.127 -11.848 -16.841 1.00 0.00 N ATOM 329 CA GLU A 56 32.131 -12.435 -17.716 1.00 0.00 C ATOM 330 C GLU A 56 33.393 -11.563 -17.726 1.00 0.00 C ATOM 331 O GLU A 56 34.506 -12.083 -17.791 1.00 0.00 O ATOM 332 CB GLU A 56 31.545 -12.572 -19.127 1.00 0.00 C ATOM 333 CG GLU A 56 32.511 -13.343 -20.029 1.00 0.00 C ATOM 334 CD GLU A 56 31.891 -13.587 -21.399 1.00 0.00 C ATOM 335 OE1 GLU A 56 31.741 -12.590 -22.139 1.00 0.00 O ATOM 336 OE2 GLU A 56 31.578 -14.763 -21.680 1.00 0.00 O ATOM 0 H GLU A 56 30.252 -11.611 -17.309 1.00 0.00 H new ATOM 0 HA GLU A 56 32.410 -13.424 -17.352 1.00 0.00 H new ATOM 0 HB2 GLU A 56 30.587 -13.090 -19.082 1.00 0.00 H new ATOM 0 HB3 GLU A 56 31.354 -11.584 -19.547 1.00 0.00 H new ATOM 0 HG2 GLU A 56 33.439 -12.782 -20.139 1.00 0.00 H new ATOM 0 HG3 GLU A 56 32.767 -14.296 -19.565 1.00 0.00 H new ATOM 343 N GLN A 57 33.215 -10.235 -17.662 1.00 0.00 N ATOM 344 CA GLN A 57 34.330 -9.301 -17.675 1.00 0.00 C ATOM 345 C GLN A 57 35.122 -9.401 -16.368 1.00 0.00 C ATOM 346 O GLN A 57 36.300 -9.751 -16.383 1.00 0.00 O ATOM 347 CB GLN A 57 33.794 -7.876 -17.877 1.00 0.00 C ATOM 348 CG GLN A 57 34.943 -6.936 -18.249 1.00 0.00 C ATOM 349 CD GLN A 57 34.454 -5.495 -18.343 1.00 0.00 C ATOM 350 OE1 GLN A 57 34.835 -4.654 -17.534 1.00 0.00 O ATOM 351 NE2 GLN A 57 33.607 -5.212 -19.333 1.00 0.00 N ATOM 0 H GLN A 57 32.299 -9.790 -17.601 1.00 0.00 H new ATOM 0 HA GLN A 57 35.002 -9.549 -18.496 1.00 0.00 H new ATOM 0 HB2 GLN A 57 33.039 -7.870 -18.663 1.00 0.00 H new ATOM 0 HB3 GLN A 57 33.308 -7.528 -16.965 1.00 0.00 H new ATOM 0 HG2 GLN A 57 35.734 -7.008 -17.503 1.00 0.00 H new ATOM 0 HG3 GLN A 57 35.375 -7.241 -19.202 1.00 0.00 H new ATOM 0 HE21 GLN A 57 33.318 -5.944 -19.982 1.00 0.00 H new ATOM 0 HE22 GLN A 57 33.248 -4.263 -19.441 1.00 0.00 H new ATOM 360 N ASN A 58 34.470 -9.078 -15.243 1.00 0.00 N ATOM 361 CA ASN A 58 35.117 -9.096 -13.932 1.00 0.00 C ATOM 362 C ASN A 58 34.954 -10.472 -13.282 1.00 0.00 C ATOM 363 O ASN A 58 35.875 -11.285 -13.331 1.00 0.00 O ATOM 364 CB ASN A 58 34.546 -7.975 -13.040 1.00 0.00 C ATOM 365 CG ASN A 58 33.084 -7.682 -13.363 1.00 0.00 C ATOM 366 OD1 ASN A 58 32.189 -8.348 -12.855 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.848 -6.682 -14.216 1.00 0.00 N ATOM 0 H ASN A 58 33.489 -8.800 -15.219 1.00 0.00 H new ATOM 0 HA ASN A 58 36.184 -8.910 -14.056 1.00 0.00 H new ATOM 0 HB2 ASN A 58 34.636 -8.263 -11.993 1.00 0.00 H new ATOM 0 HB3 ASN A 58 35.136 -7.068 -13.173 1.00 0.00 H new ATOM 0 HD21 ASN A 58 31.889 -6.444 -14.470 1.00 0.00 H new ATOM 0 HD22 ASN A 58 33.626 -6.156 -14.613 1.00 0.00 H new ATOM 374 N GLY A 59 33.791 -10.735 -12.668 1.00 0.00 N ATOM 375 CA GLY A 59 33.544 -12.009 -12.010 1.00 0.00 C ATOM 376 C GLY A 59 32.491 -11.856 -10.917 1.00 0.00 C ATOM 377 O GLY A 59 31.350 -11.496 -11.195 1.00 0.00 O ATOM 0 H GLY A 59 33.013 -10.078 -12.618 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.211 -12.744 -12.743 1.00 0.00 H new ATOM 0 HA3 GLY A 59 34.471 -12.387 -11.579 1.00 0.00 H new ATOM 381 N THR A 60 32.882 -12.143 -9.669 1.00 0.00 N ATOM 382 CA THR A 60 31.979 -12.077 -8.527 1.00 0.00 C ATOM 383 C THR A 60 32.801 -11.842 -7.253 1.00 0.00 C ATOM 384 O THR A 60 32.871 -12.706 -6.379 1.00 0.00 O ATOM 385 CB THR A 60 31.156 -13.386 -8.460 1.00 0.00 C ATOM 386 OG1 THR A 60 30.511 -13.494 -7.208 1.00 0.00 O ATOM 387 CG2 THR A 60 32.065 -14.605 -8.666 1.00 0.00 C ATOM 0 H THR A 60 33.832 -12.426 -9.429 1.00 0.00 H new ATOM 0 HA THR A 60 31.278 -11.248 -8.628 1.00 0.00 H new ATOM 0 HB THR A 60 30.409 -13.358 -9.253 1.00 0.00 H new ATOM 0 HG1 THR A 60 29.676 -12.982 -7.225 1.00 0.00 H new ATOM 0 HG21 THR A 60 31.469 -15.516 -8.616 1.00 0.00 H new ATOM 0 HG22 THR A 60 32.546 -14.540 -9.642 1.00 0.00 H new ATOM 0 HG23 THR A 60 32.827 -14.626 -7.887 1.00 0.00 H new ATOM 395 N ASP A 61 33.431 -10.663 -7.159 1.00 0.00 N ATOM 396 CA ASP A 61 34.273 -10.326 -6.019 1.00 0.00 C ATOM 397 C ASP A 61 33.436 -9.643 -4.927 1.00 0.00 C ATOM 398 O ASP A 61 33.052 -10.287 -3.953 1.00 0.00 O ATOM 399 CB ASP A 61 35.434 -9.429 -6.494 1.00 0.00 C ATOM 400 CG ASP A 61 36.778 -10.095 -6.227 1.00 0.00 C ATOM 401 OD1 ASP A 61 37.111 -10.246 -5.033 1.00 0.00 O ATOM 402 OD2 ASP A 61 37.447 -10.443 -7.225 1.00 0.00 O ATOM 0 H ASP A 61 33.369 -9.929 -7.865 1.00 0.00 H new ATOM 0 HA ASP A 61 34.695 -11.233 -5.586 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.329 -9.226 -7.560 1.00 0.00 H new ATOM 0 HB3 ASP A 61 35.391 -8.469 -5.980 1.00 0.00 H new ATOM 407 N ASP A 62 33.160 -8.337 -5.092 1.00 0.00 N ATOM 408 CA ASP A 62 32.405 -7.561 -4.108 1.00 0.00 C ATOM 409 C ASP A 62 30.977 -7.301 -4.586 1.00 0.00 C ATOM 410 O ASP A 62 30.124 -6.939 -3.782 1.00 0.00 O ATOM 411 CB ASP A 62 33.115 -6.223 -3.874 1.00 0.00 C ATOM 412 CG ASP A 62 34.498 -6.427 -3.272 1.00 0.00 C ATOM 413 OD1 ASP A 62 34.551 -6.724 -2.060 1.00 0.00 O ATOM 414 OD2 ASP A 62 35.474 -6.277 -4.037 1.00 0.00 O ATOM 0 H ASP A 62 33.454 -7.799 -5.907 1.00 0.00 H new ATOM 0 HA ASP A 62 32.355 -8.132 -3.181 1.00 0.00 H new ATOM 0 HB2 ASP A 62 33.203 -5.686 -4.818 1.00 0.00 H new ATOM 0 HB3 ASP A 62 32.515 -5.602 -3.209 1.00 0.00 H new ATOM 419 N TRP A 63 30.732 -7.464 -5.901 1.00 0.00 N ATOM 420 CA TRP A 63 29.425 -7.213 -6.529 1.00 0.00 C ATOM 421 C TRP A 63 29.075 -5.716 -6.529 1.00 0.00 C ATOM 422 O TRP A 63 28.215 -5.296 -7.296 1.00 0.00 O ATOM 423 CB TRP A 63 28.314 -8.044 -5.869 1.00 0.00 C ATOM 424 CG TRP A 63 28.330 -9.487 -6.248 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.774 -10.496 -5.482 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.893 -10.108 -7.493 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.652 -11.697 -6.135 1.00 0.00 N ATOM 428 CE2 TRP A 63 28.108 -11.518 -7.394 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.338 -9.630 -8.705 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.789 -12.399 -8.432 1.00 0.00 C ATOM 431 CZ3 TRP A 63 27.019 -10.515 -9.753 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.245 -11.895 -9.618 1.00 0.00 C ATOM 0 H TRP A 63 31.444 -7.777 -6.561 1.00 0.00 H new ATOM 0 HA TRP A 63 29.501 -7.531 -7.569 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.408 -7.962 -4.786 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.347 -7.619 -6.138 1.00 0.00 H new ATOM 0 HD1 TRP A 63 29.174 -10.378 -4.486 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.925 -12.599 -5.745 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.157 -8.572 -8.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 27.961 -13.459 -8.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.597 -10.129 -10.669 1.00 0.00 H new ATOM 0 HH2 TRP A 63 26.999 -12.565 -10.428 1.00 0.00 H new ATOM 443 N LYS A 64 29.739 -4.909 -5.692 1.00 0.00 N ATOM 444 CA LYS A 64 29.501 -3.476 -5.655 1.00 0.00 C ATOM 445 C LYS A 64 29.932 -2.863 -6.987 1.00 0.00 C ATOM 446 O LYS A 64 29.238 -2.014 -7.541 1.00 0.00 O ATOM 447 CB LYS A 64 30.284 -2.867 -4.489 1.00 0.00 C ATOM 448 CG LYS A 64 29.995 -1.364 -4.395 1.00 0.00 C ATOM 449 CD LYS A 64 30.523 -0.809 -3.066 1.00 0.00 C ATOM 450 CE LYS A 64 32.045 -0.978 -2.991 1.00 0.00 C ATOM 451 NZ LYS A 64 32.597 -0.285 -1.814 1.00 0.00 N ATOM 0 H LYS A 64 30.446 -5.234 -5.032 1.00 0.00 H new ATOM 0 HA LYS A 64 28.441 -3.269 -5.505 1.00 0.00 H new ATOM 0 HB2 LYS A 64 30.006 -3.359 -3.557 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.352 -3.033 -4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 64 30.465 -0.842 -5.229 1.00 0.00 H new ATOM 0 HG3 LYS A 64 28.922 -1.186 -4.472 1.00 0.00 H new ATOM 0 HD2 LYS A 64 30.262 0.245 -2.974 1.00 0.00 H new ATOM 0 HD3 LYS A 64 30.050 -1.329 -2.233 1.00 0.00 H new ATOM 0 HE2 LYS A 64 32.295 -2.038 -2.943 1.00 0.00 H new ATOM 0 HE3 LYS A 64 32.503 -0.583 -3.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 33.628 -0.415 -1.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 32.377 0.730 -1.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 32.175 -0.680 -0.949 1.00 0.00 H new ATOM 465 N VAL A 65 31.085 -3.311 -7.499 1.00 0.00 N ATOM 466 CA VAL A 65 31.609 -2.836 -8.770 1.00 0.00 C ATOM 467 C VAL A 65 30.583 -3.103 -9.872 1.00 0.00 C ATOM 468 O VAL A 65 30.332 -2.245 -10.714 1.00 0.00 O ATOM 469 CB VAL A 65 32.936 -3.551 -9.073 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.535 -3.002 -10.370 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.925 -3.326 -7.924 1.00 0.00 C ATOM 0 H VAL A 65 31.672 -4.008 -7.042 1.00 0.00 H new ATOM 0 HA VAL A 65 31.796 -1.763 -8.721 1.00 0.00 H new ATOM 0 HB VAL A 65 32.745 -4.619 -9.182 1.00 0.00 H new ATOM 0 HG11 VAL A 65 34.475 -3.512 -10.581 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.839 -3.170 -11.192 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.718 -1.933 -10.262 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.863 -3.836 -8.146 1.00 0.00 H new ATOM 0 HG22 VAL A 65 34.111 -2.258 -7.808 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.506 -3.724 -7.000 1.00 0.00 H new ATOM 481 N ILE A 66 29.992 -4.302 -9.856 1.00 0.00 N ATOM 482 CA ILE A 66 28.994 -4.693 -10.837 1.00 0.00 C ATOM 483 C ILE A 66 27.736 -3.835 -10.663 1.00 0.00 C ATOM 484 O ILE A 66 27.191 -3.330 -11.643 1.00 0.00 O ATOM 485 CB ILE A 66 28.691 -6.194 -10.666 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.927 -7.004 -11.090 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.488 -6.590 -11.530 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.801 -8.460 -10.640 1.00 0.00 C ATOM 0 H ILE A 66 30.196 -5.021 -9.162 1.00 0.00 H new ATOM 0 HA ILE A 66 29.366 -4.530 -11.849 1.00 0.00 H new ATOM 0 HB ILE A 66 28.454 -6.402 -9.623 1.00 0.00 H new ATOM 0 HG12 ILE A 66 30.041 -6.962 -12.173 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.824 -6.561 -10.657 1.00 0.00 H new ATOM 0 HG21 ILE A 66 27.282 -7.653 -11.402 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.615 -6.012 -11.226 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.710 -6.387 -12.578 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.686 -9.015 -10.951 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.711 -8.499 -9.554 1.00 0.00 H new ATOM 0 HD13 ILE A 66 28.916 -8.906 -11.094 1.00 0.00 H new ATOM 500 N ALA A 67 27.283 -3.672 -9.412 1.00 0.00 N ATOM 501 CA ALA A 67 26.090 -2.892 -9.104 1.00 0.00 C ATOM 502 C ALA A 67 26.209 -1.470 -9.660 1.00 0.00 C ATOM 503 O ALA A 67 25.221 -0.905 -10.118 1.00 0.00 O ATOM 504 CB ALA A 67 25.886 -2.858 -7.590 1.00 0.00 C ATOM 0 H ALA A 67 27.735 -4.078 -8.593 1.00 0.00 H new ATOM 0 HA ALA A 67 25.227 -3.363 -9.575 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.995 -2.276 -7.356 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.764 -3.875 -7.216 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.754 -2.399 -7.116 1.00 0.00 H new ATOM 510 N ASN A 68 27.417 -0.890 -9.620 1.00 0.00 N ATOM 511 CA ASN A 68 27.638 0.464 -10.121 1.00 0.00 C ATOM 512 C ASN A 68 27.224 0.567 -11.594 1.00 0.00 C ATOM 513 O ASN A 68 26.747 1.614 -12.027 1.00 0.00 O ATOM 514 CB ASN A 68 29.115 0.845 -9.959 1.00 0.00 C ATOM 515 CG ASN A 68 29.528 0.894 -8.489 1.00 0.00 C ATOM 516 OD1 ASN A 68 28.690 1.050 -7.605 1.00 0.00 O ATOM 517 ND2 ASN A 68 30.829 0.763 -8.231 1.00 0.00 N ATOM 0 H ASN A 68 28.252 -1.341 -9.245 1.00 0.00 H new ATOM 0 HA ASN A 68 27.026 1.155 -9.542 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.737 0.123 -10.488 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.293 1.817 -10.420 1.00 0.00 H new ATOM 0 HD21 ASN A 68 31.163 0.791 -7.268 1.00 0.00 H new ATOM 0 HD22 ASN A 68 31.490 0.635 -8.997 1.00 0.00 H new ATOM 524 N TYR A 69 27.412 -0.517 -12.363 1.00 0.00 N ATOM 525 CA TYR A 69 27.077 -0.529 -13.785 1.00 0.00 C ATOM 526 C TYR A 69 25.629 -0.989 -14.007 1.00 0.00 C ATOM 527 O TYR A 69 25.175 -1.050 -15.149 1.00 0.00 O ATOM 528 CB TYR A 69 28.046 -1.458 -14.521 1.00 0.00 C ATOM 529 CG TYR A 69 29.506 -1.197 -14.202 1.00 0.00 C ATOM 530 CD1 TYR A 69 30.016 0.116 -14.227 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.356 -2.271 -13.885 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.370 0.349 -13.932 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.710 -2.036 -13.596 1.00 0.00 C ATOM 534 CZ TYR A 69 32.216 -0.727 -13.617 1.00 0.00 C ATOM 535 OH TYR A 69 33.531 -0.502 -13.331 1.00 0.00 O ATOM 0 H TYR A 69 27.796 -1.396 -12.017 1.00 0.00 H new ATOM 0 HA TYR A 69 27.168 0.484 -14.177 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.807 -2.491 -14.268 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.893 -1.350 -15.595 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.367 0.943 -14.473 1.00 0.00 H new ATOM 0 HD2 TYR A 69 29.967 -3.278 -13.864 1.00 0.00 H new ATOM 0 HE1 TYR A 69 31.760 1.356 -13.947 1.00 0.00 H new ATOM 0 HE2 TYR A 69 32.362 -2.863 -13.357 1.00 0.00 H new ATOM 0 HH TYR A 69 33.973 -1.354 -13.134 1.00 0.00 H new ATOM 545 N LEU A 70 24.910 -1.312 -12.921 1.00 0.00 N ATOM 546 CA LEU A 70 23.527 -1.768 -12.999 1.00 0.00 C ATOM 547 C LEU A 70 22.655 -0.896 -12.087 1.00 0.00 C ATOM 548 O LEU A 70 22.483 -1.214 -10.912 1.00 0.00 O ATOM 549 CB LEU A 70 23.461 -3.236 -12.565 1.00 0.00 C ATOM 550 CG LEU A 70 23.906 -4.150 -13.712 1.00 0.00 C ATOM 551 CD1 LEU A 70 24.704 -5.322 -13.151 1.00 0.00 C ATOM 552 CD2 LEU A 70 22.676 -4.680 -14.444 1.00 0.00 C ATOM 0 H LEU A 70 25.276 -1.262 -11.970 1.00 0.00 H new ATOM 0 HA LEU A 70 23.157 -1.684 -14.021 1.00 0.00 H new ATOM 0 HB2 LEU A 70 24.100 -3.394 -11.696 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.444 -3.488 -12.264 1.00 0.00 H new ATOM 0 HG LEU A 70 24.529 -3.585 -14.405 1.00 0.00 H new ATOM 0 HD11 LEU A 70 25.020 -5.971 -13.968 1.00 0.00 H new ATOM 0 HD12 LEU A 70 25.582 -4.946 -12.626 1.00 0.00 H new ATOM 0 HD13 LEU A 70 24.081 -5.888 -12.458 1.00 0.00 H new ATOM 0 HD21 LEU A 70 22.990 -5.330 -15.260 1.00 0.00 H new ATOM 0 HD22 LEU A 70 22.054 -5.245 -13.749 1.00 0.00 H new ATOM 0 HD23 LEU A 70 22.104 -3.844 -14.846 1.00 0.00 H new ATOM 564 N PRO A 71 22.100 0.210 -12.619 1.00 0.00 N ATOM 565 CA PRO A 71 21.270 1.107 -11.845 1.00 0.00 C ATOM 566 C PRO A 71 20.033 0.381 -11.312 1.00 0.00 C ATOM 567 O PRO A 71 19.443 -0.442 -12.009 1.00 0.00 O ATOM 568 CB PRO A 71 20.883 2.247 -12.794 1.00 0.00 C ATOM 569 CG PRO A 71 21.556 1.956 -14.141 1.00 0.00 C ATOM 570 CD PRO A 71 22.278 0.616 -13.997 1.00 0.00 C ATOM 0 HA PRO A 71 21.798 1.488 -10.971 1.00 0.00 H new ATOM 0 HB2 PRO A 71 19.800 2.303 -12.908 1.00 0.00 H new ATOM 0 HB3 PRO A 71 21.212 3.208 -12.398 1.00 0.00 H new ATOM 0 HG2 PRO A 71 20.816 1.912 -14.941 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.259 2.748 -14.400 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.862 -0.126 -14.679 1.00 0.00 H new ATOM 0 HD3 PRO A 71 23.336 0.715 -14.241 1.00 0.00 H new ATOM 578 N ASN A 72 19.644 0.701 -10.069 1.00 0.00 N ATOM 579 CA ASN A 72 18.469 0.111 -9.430 1.00 0.00 C ATOM 580 C ASN A 72 18.654 -1.401 -9.213 1.00 0.00 C ATOM 581 O ASN A 72 17.677 -2.151 -9.215 1.00 0.00 O ATOM 582 CB ASN A 72 17.213 0.417 -10.274 1.00 0.00 C ATOM 583 CG ASN A 72 16.184 1.189 -9.456 1.00 0.00 C ATOM 584 OD1 ASN A 72 15.180 0.627 -9.030 1.00 0.00 O ATOM 585 ND2 ASN A 72 16.437 2.479 -9.237 1.00 0.00 N ATOM 0 H ASN A 72 20.137 1.375 -9.483 1.00 0.00 H new ATOM 0 HA ASN A 72 18.340 0.557 -8.444 1.00 0.00 H new ATOM 0 HB2 ASN A 72 17.493 0.996 -11.154 1.00 0.00 H new ATOM 0 HB3 ASN A 72 16.775 -0.514 -10.632 1.00 0.00 H new ATOM 0 HD21 ASN A 72 15.782 3.042 -8.695 1.00 0.00 H new ATOM 0 HD22 ASN A 72 17.286 2.903 -9.612 1.00 0.00 H new ATOM 592 N ARG A 73 19.907 -1.843 -9.012 1.00 0.00 N ATOM 593 CA ARG A 73 20.214 -3.247 -8.742 1.00 0.00 C ATOM 594 C ARG A 73 21.247 -3.316 -7.621 1.00 0.00 C ATOM 595 O ARG A 73 22.440 -3.154 -7.865 1.00 0.00 O ATOM 596 CB ARG A 73 20.760 -3.932 -10.003 1.00 0.00 C ATOM 597 CG ARG A 73 19.730 -3.902 -11.142 1.00 0.00 C ATOM 598 CD ARG A 73 18.561 -4.843 -10.827 1.00 0.00 C ATOM 599 NE ARG A 73 17.707 -5.022 -12.007 1.00 0.00 N ATOM 600 CZ ARG A 73 16.877 -4.069 -12.469 1.00 0.00 C ATOM 601 NH1 ARG A 73 16.701 -2.932 -11.782 1.00 0.00 N ATOM 602 NH2 ARG A 73 16.223 -4.258 -13.622 1.00 0.00 N ATOM 0 H ARG A 73 20.727 -1.237 -9.033 1.00 0.00 H new ATOM 0 HA ARG A 73 19.304 -3.766 -8.442 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.675 -3.434 -10.323 1.00 0.00 H new ATOM 0 HB3 ARG A 73 21.023 -4.965 -9.774 1.00 0.00 H new ATOM 0 HG2 ARG A 73 19.361 -2.886 -11.281 1.00 0.00 H new ATOM 0 HG3 ARG A 73 20.203 -4.200 -12.078 1.00 0.00 H new ATOM 0 HD2 ARG A 73 18.944 -5.809 -10.499 1.00 0.00 H new ATOM 0 HD3 ARG A 73 17.973 -4.437 -10.004 1.00 0.00 H new ATOM 0 HE ARG A 73 17.744 -5.913 -12.502 1.00 0.00 H new ATOM 0 HH11 ARG A 73 17.198 -2.785 -10.903 1.00 0.00 H new ATOM 0 HH12 ARG A 73 16.070 -2.214 -12.138 1.00 0.00 H new ATOM 0 HH21 ARG A 73 16.355 -5.122 -14.147 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.593 -3.538 -13.975 1.00 0.00 H new ATOM 616 N THR A 74 20.782 -3.557 -6.391 1.00 0.00 N ATOM 617 CA THR A 74 21.661 -3.658 -5.235 1.00 0.00 C ATOM 618 C THR A 74 22.651 -4.807 -5.442 1.00 0.00 C ATOM 619 O THR A 74 22.331 -5.783 -6.114 1.00 0.00 O ATOM 620 CB THR A 74 20.800 -3.890 -3.985 1.00 0.00 C ATOM 621 OG1 THR A 74 19.710 -2.992 -3.994 1.00 0.00 O ATOM 622 CG2 THR A 74 21.629 -3.665 -2.719 1.00 0.00 C ATOM 0 H THR A 74 19.793 -3.686 -6.176 1.00 0.00 H new ATOM 0 HA THR A 74 22.233 -2.739 -5.108 1.00 0.00 H new ATOM 0 HB THR A 74 20.436 -4.917 -3.993 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.158 -3.140 -3.198 1.00 0.00 H new ATOM 0 HG21 THR A 74 21.005 -3.833 -1.841 1.00 0.00 H new ATOM 0 HG22 THR A 74 22.469 -4.360 -2.706 1.00 0.00 H new ATOM 0 HG23 THR A 74 22.004 -2.642 -2.707 1.00 0.00 H new ATOM 630 N ASP A 75 23.853 -4.690 -4.863 1.00 0.00 N ATOM 631 CA ASP A 75 24.882 -5.719 -4.982 1.00 0.00 C ATOM 632 C ASP A 75 24.321 -7.076 -4.552 1.00 0.00 C ATOM 633 O ASP A 75 24.569 -8.087 -5.209 1.00 0.00 O ATOM 634 CB ASP A 75 26.094 -5.327 -4.127 1.00 0.00 C ATOM 635 CG ASP A 75 25.688 -5.038 -2.685 1.00 0.00 C ATOM 636 OD1 ASP A 75 25.077 -3.967 -2.472 1.00 0.00 O ATOM 637 OD2 ASP A 75 25.992 -5.892 -1.827 1.00 0.00 O ATOM 0 H ASP A 75 24.134 -3.884 -4.304 1.00 0.00 H new ATOM 0 HA ASP A 75 25.200 -5.802 -6.021 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.829 -6.131 -4.145 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.574 -4.447 -4.555 1.00 0.00 H new ATOM 642 N VAL A 76 23.555 -7.093 -3.455 1.00 0.00 N ATOM 643 CA VAL A 76 22.935 -8.314 -2.961 1.00 0.00 C ATOM 644 C VAL A 76 21.965 -8.858 -4.011 1.00 0.00 C ATOM 645 O VAL A 76 21.847 -10.069 -4.174 1.00 0.00 O ATOM 646 CB VAL A 76 22.202 -8.017 -1.642 1.00 0.00 C ATOM 647 CG1 VAL A 76 21.565 -9.303 -1.101 1.00 0.00 C ATOM 648 CG2 VAL A 76 23.193 -7.472 -0.608 1.00 0.00 C ATOM 0 H VAL A 76 23.353 -6.266 -2.894 1.00 0.00 H new ATOM 0 HA VAL A 76 23.699 -9.068 -2.773 1.00 0.00 H new ATOM 0 HB VAL A 76 21.425 -7.275 -1.828 1.00 0.00 H new ATOM 0 HG11 VAL A 76 21.047 -9.087 -0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.853 -9.691 -1.830 1.00 0.00 H new ATOM 0 HG13 VAL A 76 22.342 -10.046 -0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 76 22.668 -7.263 0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.974 -8.211 -0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.643 -6.553 -0.984 1.00 0.00 H new ATOM 658 N GLN A 77 21.271 -7.957 -4.724 1.00 0.00 N ATOM 659 CA GLN A 77 20.310 -8.350 -5.742 1.00 0.00 C ATOM 660 C GLN A 77 21.042 -8.945 -6.942 1.00 0.00 C ATOM 661 O GLN A 77 20.591 -9.933 -7.512 1.00 0.00 O ATOM 662 CB GLN A 77 19.476 -7.131 -6.160 1.00 0.00 C ATOM 663 CG GLN A 77 18.129 -7.590 -6.730 1.00 0.00 C ATOM 664 CD GLN A 77 17.241 -8.169 -5.632 1.00 0.00 C ATOM 665 OE1 GLN A 77 16.980 -9.368 -5.609 1.00 0.00 O ATOM 666 NE2 GLN A 77 16.781 -7.311 -4.720 1.00 0.00 N ATOM 0 H GLN A 77 21.365 -6.948 -4.606 1.00 0.00 H new ATOM 0 HA GLN A 77 19.639 -9.108 -5.339 1.00 0.00 H new ATOM 0 HB2 GLN A 77 19.314 -6.479 -5.302 1.00 0.00 H new ATOM 0 HB3 GLN A 77 20.017 -6.548 -6.906 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.625 -6.748 -7.205 1.00 0.00 H new ATOM 0 HG3 GLN A 77 18.294 -8.340 -7.503 1.00 0.00 H new ATOM 0 HE21 GLN A 77 17.025 -6.323 -4.781 1.00 0.00 H new ATOM 0 HE22 GLN A 77 16.185 -7.643 -3.962 1.00 0.00 H new ATOM 675 N CYS A 78 22.177 -8.343 -7.322 1.00 0.00 N ATOM 676 CA CYS A 78 22.973 -8.834 -8.436 1.00 0.00 C ATOM 677 C CYS A 78 23.485 -10.234 -8.105 1.00 0.00 C ATOM 678 O CYS A 78 23.376 -11.152 -8.919 1.00 0.00 O ATOM 679 CB CYS A 78 24.148 -7.885 -8.701 1.00 0.00 C ATOM 680 SG CYS A 78 23.510 -6.244 -9.119 1.00 0.00 S ATOM 0 H CYS A 78 22.559 -7.513 -6.868 1.00 0.00 H new ATOM 0 HA CYS A 78 22.358 -8.878 -9.335 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.788 -7.825 -7.821 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.762 -8.267 -9.516 1.00 0.00 H new ATOM 0 HG CYS A 78 22.930 -5.726 -8.077 1.00 0.00 H new ATOM 686 N GLN A 79 24.041 -10.388 -6.896 1.00 0.00 N ATOM 687 CA GLN A 79 24.565 -11.660 -6.433 1.00 0.00 C ATOM 688 C GLN A 79 23.455 -12.709 -6.422 1.00 0.00 C ATOM 689 O GLN A 79 23.643 -13.814 -6.930 1.00 0.00 O ATOM 690 CB GLN A 79 25.158 -11.470 -5.033 1.00 0.00 C ATOM 691 CG GLN A 79 25.837 -12.762 -4.570 1.00 0.00 C ATOM 692 CD GLN A 79 26.698 -12.511 -3.334 1.00 0.00 C ATOM 693 OE1 GLN A 79 26.483 -11.545 -2.609 1.00 0.00 O ATOM 694 NE2 GLN A 79 27.676 -13.384 -3.096 1.00 0.00 N ATOM 0 H GLN A 79 24.136 -9.630 -6.220 1.00 0.00 H new ATOM 0 HA GLN A 79 25.348 -12.010 -7.106 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.880 -10.654 -5.043 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.372 -11.191 -4.331 1.00 0.00 H new ATOM 0 HG2 GLN A 79 25.081 -13.515 -4.345 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.455 -13.161 -5.374 1.00 0.00 H new ATOM 0 HE21 GLN A 79 27.819 -14.174 -3.726 1.00 0.00 H new ATOM 0 HE22 GLN A 79 28.281 -13.263 -2.284 1.00 0.00 H new ATOM 703 N HIS A 80 22.296 -12.358 -5.845 1.00 0.00 N ATOM 704 CA HIS A 80 21.157 -13.261 -5.783 1.00 0.00 C ATOM 705 C HIS A 80 20.754 -13.682 -7.187 1.00 0.00 C ATOM 706 O HIS A 80 20.697 -14.868 -7.480 1.00 0.00 O ATOM 707 CB HIS A 80 19.978 -12.570 -5.079 1.00 0.00 C ATOM 708 CG HIS A 80 19.836 -12.967 -3.633 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.731 -12.610 -2.869 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.628 -13.701 -2.785 1.00 0.00 C ATOM 711 CE1 HIS A 80 18.917 -13.139 -1.644 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.056 -13.824 -1.528 1.00 0.00 N ATOM 0 H HIS A 80 22.131 -11.448 -5.415 1.00 0.00 H new ATOM 0 HA HIS A 80 21.436 -14.148 -5.215 1.00 0.00 H new ATOM 0 HB2 HIS A 80 20.108 -11.490 -5.141 1.00 0.00 H new ATOM 0 HB3 HIS A 80 19.056 -12.811 -5.608 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.579 -14.130 -3.063 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.212 -13.020 -0.834 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.418 -14.318 -0.713 1.00 0.00 H new ATOM 720 N ARG A 81 20.471 -12.707 -8.052 1.00 0.00 N ATOM 721 CA ARG A 81 20.058 -12.985 -9.413 1.00 0.00 C ATOM 722 C ARG A 81 21.010 -13.987 -10.058 1.00 0.00 C ATOM 723 O ARG A 81 20.570 -14.868 -10.787 1.00 0.00 O ATOM 724 CB ARG A 81 20.018 -11.677 -10.216 1.00 0.00 C ATOM 725 CG ARG A 81 19.596 -11.948 -11.672 1.00 0.00 C ATOM 726 CD ARG A 81 18.197 -12.573 -11.710 1.00 0.00 C ATOM 727 NE ARG A 81 17.638 -12.536 -13.068 1.00 0.00 N ATOM 728 CZ ARG A 81 16.397 -12.963 -13.359 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.616 -13.466 -12.393 1.00 0.00 N ATOM 730 NH2 ARG A 81 15.938 -12.885 -14.613 1.00 0.00 N ATOM 0 H ARG A 81 20.523 -11.714 -7.824 1.00 0.00 H new ATOM 0 HA ARG A 81 19.060 -13.422 -9.405 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.319 -10.981 -9.753 1.00 0.00 H new ATOM 0 HB3 ARG A 81 20.999 -11.203 -10.198 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.602 -11.017 -12.239 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.314 -12.616 -12.148 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.247 -13.605 -11.362 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.537 -12.038 -11.027 1.00 0.00 H new ATOM 0 HE ARG A 81 18.217 -12.170 -13.824 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.963 -13.525 -11.436 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.675 -13.790 -12.615 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.530 -12.501 -15.350 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.996 -13.209 -14.832 1.00 0.00 H new ATOM 744 N TRP A 82 22.314 -13.856 -9.797 1.00 0.00 N ATOM 745 CA TRP A 82 23.282 -14.742 -10.399 1.00 0.00 C ATOM 746 C TRP A 82 23.323 -16.103 -9.695 1.00 0.00 C ATOM 747 O TRP A 82 22.825 -17.086 -10.227 1.00 0.00 O ATOM 748 CB TRP A 82 24.668 -14.100 -10.408 1.00 0.00 C ATOM 749 CG TRP A 82 25.635 -14.875 -11.232 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.503 -15.793 -10.778 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.797 -14.870 -12.675 1.00 0.00 C ATOM 752 NE1 TRP A 82 27.185 -16.376 -11.817 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.784 -15.840 -13.026 1.00 0.00 C ATOM 754 CE3 TRP A 82 25.196 -14.156 -13.733 1.00 0.00 C ATOM 755 CZ2 TRP A 82 27.146 -16.093 -14.350 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.562 -14.401 -15.068 1.00 0.00 C ATOM 757 CH2 TRP A 82 26.533 -15.372 -15.376 1.00 0.00 C ATOM 0 H TRP A 82 22.709 -13.148 -9.177 1.00 0.00 H new ATOM 0 HA TRP A 82 22.970 -14.915 -11.429 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.594 -13.084 -10.795 1.00 0.00 H new ATOM 0 HB3 TRP A 82 25.040 -14.026 -9.386 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.645 -16.040 -9.736 1.00 0.00 H new ATOM 0 HE1 TRP A 82 27.891 -17.105 -11.711 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.445 -13.411 -13.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 27.893 -16.839 -14.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 25.094 -13.840 -15.863 1.00 0.00 H new ATOM 0 HH2 TRP A 82 26.803 -15.559 -16.405 1.00 0.00 H new ATOM 768 N GLN A 83 23.939 -16.161 -8.511 1.00 0.00 N ATOM 769 CA GLN A 83 24.145 -17.419 -7.799 1.00 0.00 C ATOM 770 C GLN A 83 22.838 -18.191 -7.595 1.00 0.00 C ATOM 771 O GLN A 83 22.858 -19.420 -7.558 1.00 0.00 O ATOM 772 CB GLN A 83 24.813 -17.132 -6.451 1.00 0.00 C ATOM 773 CG GLN A 83 26.252 -16.654 -6.682 1.00 0.00 C ATOM 774 CD GLN A 83 27.032 -16.606 -5.374 1.00 0.00 C ATOM 775 OE1 GLN A 83 27.428 -15.536 -4.924 1.00 0.00 O ATOM 776 NE2 GLN A 83 27.255 -17.770 -4.763 1.00 0.00 N ATOM 0 H GLN A 83 24.305 -15.343 -8.025 1.00 0.00 H new ATOM 0 HA GLN A 83 24.792 -18.050 -8.408 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.249 -16.373 -5.909 1.00 0.00 H new ATOM 0 HB3 GLN A 83 24.812 -18.031 -5.834 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.752 -17.322 -7.383 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.241 -15.664 -7.139 1.00 0.00 H new ATOM 0 HE21 GLN A 83 26.907 -18.636 -5.174 1.00 0.00 H new ATOM 0 HE22 GLN A 83 27.774 -17.794 -3.885 1.00 0.00 H new ATOM 785 N LYS A 84 21.710 -17.490 -7.453 1.00 0.00 N ATOM 786 CA LYS A 84 20.432 -18.145 -7.210 1.00 0.00 C ATOM 787 C LYS A 84 19.766 -18.588 -8.526 1.00 0.00 C ATOM 788 O LYS A 84 18.822 -19.375 -8.486 1.00 0.00 O ATOM 789 CB LYS A 84 19.521 -17.196 -6.416 1.00 0.00 C ATOM 790 CG LYS A 84 18.603 -18.005 -5.494 1.00 0.00 C ATOM 791 CD LYS A 84 17.506 -17.103 -4.904 1.00 0.00 C ATOM 792 CE LYS A 84 18.117 -15.962 -4.077 1.00 0.00 C ATOM 793 NZ LYS A 84 18.981 -16.476 -2.996 1.00 0.00 N ATOM 0 H LYS A 84 21.661 -16.472 -7.503 1.00 0.00 H new ATOM 0 HA LYS A 84 20.603 -19.049 -6.625 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.125 -16.506 -5.827 1.00 0.00 H new ATOM 0 HB3 LYS A 84 18.924 -16.593 -7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.148 -18.824 -6.051 1.00 0.00 H new ATOM 0 HG3 LYS A 84 19.187 -18.452 -4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 84 16.899 -16.689 -5.709 1.00 0.00 H new ATOM 0 HD3 LYS A 84 16.841 -17.696 -4.276 1.00 0.00 H new ATOM 0 HE2 LYS A 84 18.698 -15.310 -4.729 1.00 0.00 H new ATOM 0 HE3 LYS A 84 17.319 -15.355 -3.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 19.087 -15.748 -2.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 18.550 -17.327 -2.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 19.916 -16.716 -3.383 1.00 0.00 H new ATOM 807 N VAL A 85 20.246 -18.094 -9.692 1.00 0.00 N ATOM 808 CA VAL A 85 19.663 -18.469 -10.985 1.00 0.00 C ATOM 809 C VAL A 85 20.765 -18.709 -12.036 1.00 0.00 C ATOM 810 O VAL A 85 21.033 -19.857 -12.388 1.00 0.00 O ATOM 811 CB VAL A 85 18.668 -17.388 -11.458 1.00 0.00 C ATOM 812 CG1 VAL A 85 17.892 -17.904 -12.673 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.677 -17.047 -10.337 1.00 0.00 C ATOM 0 H VAL A 85 21.028 -17.442 -9.755 1.00 0.00 H new ATOM 0 HA VAL A 85 19.117 -19.404 -10.860 1.00 0.00 H new ATOM 0 HB VAL A 85 19.227 -16.491 -11.726 1.00 0.00 H new ATOM 0 HG11 VAL A 85 17.189 -17.141 -13.007 1.00 0.00 H new ATOM 0 HG12 VAL A 85 18.589 -18.133 -13.479 1.00 0.00 H new ATOM 0 HG13 VAL A 85 17.345 -18.806 -12.399 1.00 0.00 H new ATOM 0 HG21 VAL A 85 16.982 -16.283 -10.686 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.122 -17.942 -10.057 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.222 -16.673 -9.471 1.00 0.00 H new ATOM 823 N LEU A 86 21.397 -17.634 -12.550 1.00 0.00 N ATOM 824 CA LEU A 86 22.429 -17.767 -13.582 1.00 0.00 C ATOM 825 C LEU A 86 23.688 -18.390 -12.989 1.00 0.00 C ATOM 826 O LEU A 86 24.467 -17.708 -12.330 1.00 0.00 O ATOM 827 CB LEU A 86 22.791 -16.397 -14.190 1.00 0.00 C ATOM 828 CG LEU A 86 21.652 -15.798 -15.039 1.00 0.00 C ATOM 829 CD1 LEU A 86 21.047 -16.855 -15.967 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.571 -15.212 -14.134 1.00 0.00 C ATOM 0 H LEU A 86 21.208 -16.673 -12.265 1.00 0.00 H new ATOM 0 HA LEU A 86 22.029 -18.408 -14.367 1.00 0.00 H new ATOM 0 HB2 LEU A 86 23.042 -15.704 -13.387 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.682 -16.504 -14.809 1.00 0.00 H new ATOM 0 HG LEU A 86 22.070 -15.001 -15.655 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.246 -16.407 -16.555 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.818 -17.236 -16.636 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.645 -17.675 -15.372 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.773 -14.792 -14.746 1.00 0.00 H new ATOM 0 HD22 LEU A 86 20.165 -15.997 -13.497 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.003 -14.427 -13.513 1.00 0.00 H new