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 79 GLN : amide:sc= 0.679 K(o=1.3,f=-0.038) USER MOD Set 1.2: A 83 GLN : amide:sc= 0.582 K(o=1.3,f=-3.1!) USER MOD Set 2.1: A 57 GLN : amide:sc= -0.683 X(o=0.18,f=-0.3) USER MOD Set 2.2: A 58 ASN : amide:sc= 0.863 X(o=0.18,f=-0.3) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.03 USER MOD Single : A 50 LYS NZ :NH3+ 169:sc=-0.00173 (180deg=-0.165) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -163:sc= 0.635 (180deg=0.188) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0085 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.7) 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= 0.337 USER MOD Single : A 77 GLN : amide:sc= -0.923 X(o=-0.92,f=-1) USER MOD Single : A 78 CYS SG : rot -150:sc= -0.703 USER MOD Single : A 80 HIS : no HD1:sc= -0.0477 X(o=-0.048,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 169:sc=-0.00143 (180deg=-0.152) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.410 -7.729 -13.088 1.00 0.00 N ATOM 90 CA TRP A 43 14.523 -7.894 -14.026 1.00 0.00 C ATOM 91 C TRP A 43 14.009 -8.117 -15.454 1.00 0.00 C ATOM 92 O TRP A 43 12.810 -8.288 -15.675 1.00 0.00 O ATOM 93 CB TRP A 43 15.430 -9.049 -13.569 1.00 0.00 C ATOM 94 CG TRP A 43 16.411 -8.674 -12.507 1.00 0.00 C ATOM 95 CD1 TRP A 43 16.148 -8.560 -11.194 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.821 -8.345 -12.649 1.00 0.00 C ATOM 97 NE1 TRP A 43 17.273 -8.186 -10.498 1.00 0.00 N ATOM 98 CE2 TRP A 43 18.349 -8.034 -11.357 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.715 -8.275 -13.740 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.684 -7.668 -11.164 1.00 0.00 C ATOM 101 CZ3 TRP A 43 20.059 -7.900 -13.552 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.540 -7.588 -12.270 1.00 0.00 C ATOM 0 HA TRP A 43 15.114 -6.978 -14.034 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.805 -9.862 -13.200 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.975 -9.432 -14.432 1.00 0.00 H new ATOM 0 HD1 TRP A 43 15.182 -8.738 -10.746 1.00 0.00 H new ATOM 0 HE1 TRP A 43 17.310 -8.041 -9.489 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.363 -8.513 -14.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 20.052 -7.449 -10.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.725 -7.852 -14.401 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.569 -7.287 -12.137 1.00 0.00 H new ATOM 113 N THR A 44 14.933 -8.104 -16.427 1.00 0.00 N ATOM 114 CA THR A 44 14.598 -8.300 -17.831 1.00 0.00 C ATOM 115 C THR A 44 15.655 -9.186 -18.482 1.00 0.00 C ATOM 116 O THR A 44 16.800 -9.222 -18.032 1.00 0.00 O ATOM 117 CB THR A 44 14.526 -6.943 -18.547 1.00 0.00 C ATOM 118 OG1 THR A 44 15.793 -6.321 -18.513 1.00 0.00 O ATOM 119 CG2 THR A 44 13.496 -6.038 -17.867 1.00 0.00 C ATOM 0 H THR A 44 15.928 -7.957 -16.255 1.00 0.00 H new ATOM 0 HA THR A 44 13.625 -8.785 -17.910 1.00 0.00 H new ATOM 0 HB THR A 44 14.226 -7.107 -19.582 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.745 -5.456 -18.972 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.456 -5.080 -18.385 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.515 -6.512 -17.903 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.783 -5.877 -16.828 1.00 0.00 H new ATOM 127 N ARG A 45 15.266 -9.898 -19.548 1.00 0.00 N ATOM 128 CA ARG A 45 16.174 -10.781 -20.266 1.00 0.00 C ATOM 129 C ARG A 45 17.390 -9.993 -20.758 1.00 0.00 C ATOM 130 O ARG A 45 18.505 -10.507 -20.749 1.00 0.00 O ATOM 131 CB ARG A 45 15.427 -11.425 -21.439 1.00 0.00 C ATOM 132 CG ARG A 45 16.332 -12.452 -22.133 1.00 0.00 C ATOM 133 CD ARG A 45 15.530 -13.223 -23.184 1.00 0.00 C ATOM 134 NE ARG A 45 14.540 -14.105 -22.551 1.00 0.00 N ATOM 135 CZ ARG A 45 13.702 -14.892 -23.251 1.00 0.00 C ATOM 136 NH1 ARG A 45 13.737 -14.889 -24.591 1.00 0.00 N ATOM 137 NH2 ARG A 45 12.832 -15.679 -22.606 1.00 0.00 N ATOM 0 H ARG A 45 14.320 -9.874 -19.929 1.00 0.00 H new ATOM 0 HA ARG A 45 16.529 -11.568 -19.600 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.519 -11.910 -21.081 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.119 -10.659 -22.150 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.176 -11.947 -22.604 1.00 0.00 H new ATOM 0 HG3 ARG A 45 16.744 -13.143 -21.398 1.00 0.00 H new ATOM 0 HD2 ARG A 45 15.025 -12.521 -23.848 1.00 0.00 H new ATOM 0 HD3 ARG A 45 16.207 -13.814 -23.801 1.00 0.00 H new ATOM 0 HE ARG A 45 14.485 -14.122 -21.533 1.00 0.00 H new ATOM 0 HH11 ARG A 45 14.400 -14.289 -25.083 1.00 0.00 H new ATOM 0 HH12 ARG A 45 13.101 -15.486 -25.119 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.805 -15.681 -21.586 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.196 -16.276 -23.134 1.00 0.00 H new ATOM 151 N GLU A 46 17.170 -8.742 -21.183 1.00 0.00 N ATOM 152 CA GLU A 46 18.246 -7.891 -21.662 1.00 0.00 C ATOM 153 C GLU A 46 19.266 -7.677 -20.545 1.00 0.00 C ATOM 154 O GLU A 46 20.463 -7.889 -20.747 1.00 0.00 O ATOM 155 CB GLU A 46 17.668 -6.551 -22.128 1.00 0.00 C ATOM 156 CG GLU A 46 18.745 -5.751 -22.869 1.00 0.00 C ATOM 157 CD GLU A 46 18.418 -4.263 -22.866 1.00 0.00 C ATOM 158 OE1 GLU A 46 17.292 -3.930 -23.290 1.00 0.00 O ATOM 159 OE2 GLU A 46 19.302 -3.489 -22.436 1.00 0.00 O ATOM 0 H GLU A 46 16.249 -8.303 -21.201 1.00 0.00 H new ATOM 0 HA GLU A 46 18.747 -8.369 -22.504 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.813 -6.721 -22.783 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.305 -5.983 -21.271 1.00 0.00 H new ATOM 0 HG2 GLU A 46 19.714 -5.915 -22.398 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.826 -6.107 -23.896 1.00 0.00 H new ATOM 166 N GLU A 47 18.790 -7.252 -19.366 1.00 0.00 N ATOM 167 CA GLU A 47 19.663 -6.996 -18.234 1.00 0.00 C ATOM 168 C GLU A 47 20.387 -8.278 -17.833 1.00 0.00 C ATOM 169 O GLU A 47 21.566 -8.236 -17.505 1.00 0.00 O ATOM 170 CB GLU A 47 18.850 -6.441 -17.065 1.00 0.00 C ATOM 171 CG GLU A 47 19.739 -5.549 -16.200 1.00 0.00 C ATOM 172 CD GLU A 47 18.944 -4.921 -15.067 1.00 0.00 C ATOM 173 OE1 GLU A 47 17.841 -5.439 -14.779 1.00 0.00 O ATOM 174 OE2 GLU A 47 19.452 -3.932 -14.500 1.00 0.00 O ATOM 0 H GLU A 47 17.802 -7.081 -19.181 1.00 0.00 H new ATOM 0 HA GLU A 47 20.411 -6.255 -18.516 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.999 -5.871 -17.439 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.448 -7.259 -16.468 1.00 0.00 H new ATOM 0 HG2 GLU A 47 20.561 -6.137 -15.790 1.00 0.00 H new ATOM 0 HG3 GLU A 47 20.183 -4.766 -16.815 1.00 0.00 H new ATOM 181 N ASP A 48 19.683 -9.418 -17.866 1.00 0.00 N ATOM 182 CA ASP A 48 20.288 -10.700 -17.531 1.00 0.00 C ATOM 183 C ASP A 48 21.449 -10.974 -18.484 1.00 0.00 C ATOM 184 O ASP A 48 22.530 -11.355 -18.049 1.00 0.00 O ATOM 185 CB ASP A 48 19.241 -11.817 -17.623 1.00 0.00 C ATOM 186 CG ASP A 48 18.172 -11.676 -16.547 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.541 -11.299 -15.414 1.00 0.00 O ATOM 188 OD2 ASP A 48 16.998 -11.953 -16.873 1.00 0.00 O ATOM 0 H ASP A 48 18.697 -9.471 -18.121 1.00 0.00 H new ATOM 0 HA ASP A 48 20.665 -10.669 -16.509 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.772 -11.796 -18.607 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.732 -12.785 -17.524 1.00 0.00 H new ATOM 193 N GLU A 49 21.224 -10.773 -19.789 1.00 0.00 N ATOM 194 CA GLU A 49 22.260 -10.984 -20.791 1.00 0.00 C ATOM 195 C GLU A 49 23.457 -10.082 -20.480 1.00 0.00 C ATOM 196 O GLU A 49 24.596 -10.543 -20.451 1.00 0.00 O ATOM 197 CB GLU A 49 21.692 -10.681 -22.188 1.00 0.00 C ATOM 198 CG GLU A 49 22.245 -11.680 -23.212 1.00 0.00 C ATOM 199 CD GLU A 49 23.769 -11.657 -23.249 1.00 0.00 C ATOM 200 OE1 GLU A 49 24.322 -10.557 -23.476 1.00 0.00 O ATOM 201 OE2 GLU A 49 24.358 -12.742 -23.051 1.00 0.00 O ATOM 0 H GLU A 49 20.330 -10.464 -20.169 1.00 0.00 H new ATOM 0 HA GLU A 49 22.593 -12.022 -20.772 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.604 -10.736 -22.166 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.954 -9.665 -22.482 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.901 -12.684 -22.964 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.852 -11.444 -24.201 1.00 0.00 H new ATOM 208 N LYS A 50 23.189 -8.795 -20.242 1.00 0.00 N ATOM 209 CA LYS A 50 24.231 -7.830 -19.930 1.00 0.00 C ATOM 210 C LYS A 50 24.965 -8.241 -18.649 1.00 0.00 C ATOM 211 O LYS A 50 26.174 -8.046 -18.540 1.00 0.00 O ATOM 212 CB LYS A 50 23.603 -6.440 -19.777 1.00 0.00 C ATOM 213 CG LYS A 50 23.133 -5.929 -21.147 1.00 0.00 C ATOM 214 CD LYS A 50 22.041 -4.860 -20.975 1.00 0.00 C ATOM 215 CE LYS A 50 22.567 -3.665 -20.169 1.00 0.00 C ATOM 216 NZ LYS A 50 23.666 -2.983 -20.875 1.00 0.00 N ATOM 0 H LYS A 50 22.248 -8.401 -20.261 1.00 0.00 H new ATOM 0 HA LYS A 50 24.959 -7.802 -20.741 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.761 -6.485 -19.087 1.00 0.00 H new ATOM 0 HB3 LYS A 50 24.329 -5.748 -19.350 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.977 -5.511 -21.695 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.748 -6.759 -21.739 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.700 -4.522 -21.954 1.00 0.00 H new ATOM 0 HD3 LYS A 50 21.178 -5.294 -20.469 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.755 -2.960 -19.989 1.00 0.00 H new ATOM 0 HE3 LYS A 50 22.915 -4.006 -19.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 23.874 -2.080 -20.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 24.514 -3.585 -20.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 23.386 -2.802 -21.860 1.00 0.00 H new ATOM 230 N LEU A 51 24.234 -8.811 -17.680 1.00 0.00 N ATOM 231 CA LEU A 51 24.822 -9.235 -16.419 1.00 0.00 C ATOM 232 C LEU A 51 25.896 -10.292 -16.678 1.00 0.00 C ATOM 233 O LEU A 51 26.934 -10.275 -16.031 1.00 0.00 O ATOM 234 CB LEU A 51 23.724 -9.765 -15.482 1.00 0.00 C ATOM 235 CG LEU A 51 24.290 -10.036 -14.076 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.885 -8.755 -13.483 1.00 0.00 C ATOM 237 CD2 LEU A 51 23.163 -10.530 -13.164 1.00 0.00 C ATOM 0 H LEU A 51 23.232 -8.986 -17.754 1.00 0.00 H new ATOM 0 HA LEU A 51 25.297 -8.384 -15.931 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.912 -9.040 -15.419 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.301 -10.682 -15.892 1.00 0.00 H new ATOM 0 HG LEU A 51 25.073 -10.791 -14.152 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.281 -8.964 -12.489 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.689 -8.396 -14.126 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.109 -7.993 -13.412 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.560 -10.723 -12.167 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.384 -9.770 -13.104 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.742 -11.449 -13.571 1.00 0.00 H new ATOM 249 N LYS A 52 25.655 -11.207 -17.634 1.00 0.00 N ATOM 250 CA LYS A 52 26.642 -12.230 -17.979 1.00 0.00 C ATOM 251 C LYS A 52 27.959 -11.556 -18.360 1.00 0.00 C ATOM 252 O LYS A 52 29.022 -11.960 -17.898 1.00 0.00 O ATOM 253 CB LYS A 52 26.146 -13.091 -19.152 1.00 0.00 C ATOM 254 CG LYS A 52 24.831 -13.792 -18.800 1.00 0.00 C ATOM 255 CD LYS A 52 24.329 -14.565 -20.017 1.00 0.00 C ATOM 256 CE LYS A 52 22.858 -14.943 -19.824 1.00 0.00 C ATOM 257 NZ LYS A 52 22.279 -15.458 -21.077 1.00 0.00 N ATOM 0 H LYS A 52 24.791 -11.254 -18.174 1.00 0.00 H new ATOM 0 HA LYS A 52 26.793 -12.876 -17.114 1.00 0.00 H new ATOM 0 HB2 LYS A 52 26.004 -12.465 -20.033 1.00 0.00 H new ATOM 0 HB3 LYS A 52 26.901 -13.834 -19.407 1.00 0.00 H new ATOM 0 HG2 LYS A 52 24.981 -14.471 -17.960 1.00 0.00 H new ATOM 0 HG3 LYS A 52 24.087 -13.059 -18.488 1.00 0.00 H new ATOM 0 HD2 LYS A 52 24.443 -13.959 -20.916 1.00 0.00 H new ATOM 0 HD3 LYS A 52 24.929 -15.464 -20.160 1.00 0.00 H new ATOM 0 HE2 LYS A 52 22.772 -15.697 -19.042 1.00 0.00 H new ATOM 0 HE3 LYS A 52 22.295 -14.071 -19.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 21.281 -15.708 -20.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 22.342 -14.728 -21.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 22.804 -16.303 -21.381 1.00 0.00 H new ATOM 271 N LYS A 53 27.877 -10.528 -19.213 1.00 0.00 N ATOM 272 CA LYS A 53 29.053 -9.811 -19.684 1.00 0.00 C ATOM 273 C LYS A 53 29.750 -9.112 -18.516 1.00 0.00 C ATOM 274 O LYS A 53 30.968 -9.202 -18.380 1.00 0.00 O ATOM 275 CB LYS A 53 28.642 -8.789 -20.757 1.00 0.00 C ATOM 276 CG LYS A 53 27.868 -9.472 -21.898 1.00 0.00 C ATOM 277 CD LYS A 53 28.725 -10.574 -22.534 1.00 0.00 C ATOM 278 CE LYS A 53 28.140 -10.973 -23.893 1.00 0.00 C ATOM 279 NZ LYS A 53 26.794 -11.557 -23.750 1.00 0.00 N ATOM 0 H LYS A 53 26.997 -10.177 -19.590 1.00 0.00 H new ATOM 0 HA LYS A 53 29.753 -10.522 -20.124 1.00 0.00 H new ATOM 0 HB2 LYS A 53 28.024 -8.012 -20.307 1.00 0.00 H new ATOM 0 HB3 LYS A 53 29.530 -8.299 -21.157 1.00 0.00 H new ATOM 0 HG2 LYS A 53 26.941 -9.898 -21.514 1.00 0.00 H new ATOM 0 HG3 LYS A 53 27.592 -8.735 -22.652 1.00 0.00 H new ATOM 0 HD2 LYS A 53 29.750 -10.223 -22.658 1.00 0.00 H new ATOM 0 HD3 LYS A 53 28.763 -11.442 -21.876 1.00 0.00 H new ATOM 0 HE2 LYS A 53 28.091 -10.098 -24.541 1.00 0.00 H new ATOM 0 HE3 LYS A 53 28.800 -11.692 -24.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 26.545 -12.072 -24.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 26.784 -12.214 -22.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 26.102 -10.798 -23.587 1.00 0.00 H new ATOM 293 N LEU A 54 28.979 -8.410 -17.675 1.00 0.00 N ATOM 294 CA LEU A 54 29.537 -7.688 -16.537 1.00 0.00 C ATOM 295 C LEU A 54 30.233 -8.658 -15.580 1.00 0.00 C ATOM 296 O LEU A 54 31.318 -8.364 -15.087 1.00 0.00 O ATOM 297 CB LEU A 54 28.423 -6.921 -15.815 1.00 0.00 C ATOM 298 CG LEU A 54 27.899 -5.773 -16.696 1.00 0.00 C ATOM 299 CD1 LEU A 54 26.677 -5.140 -16.027 1.00 0.00 C ATOM 300 CD2 LEU A 54 28.987 -4.707 -16.879 1.00 0.00 C ATOM 0 H LEU A 54 27.966 -8.330 -17.766 1.00 0.00 H new ATOM 0 HA LEU A 54 30.279 -6.975 -16.896 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.607 -7.600 -15.569 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.800 -6.522 -14.873 1.00 0.00 H new ATOM 0 HG LEU A 54 27.624 -6.171 -17.673 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.303 -4.326 -16.648 1.00 0.00 H new ATOM 0 HD12 LEU A 54 25.898 -5.892 -15.907 1.00 0.00 H new ATOM 0 HD13 LEU A 54 26.959 -4.750 -15.049 1.00 0.00 H new ATOM 0 HD21 LEU A 54 28.604 -3.900 -17.504 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.273 -4.308 -15.906 1.00 0.00 H new ATOM 0 HD23 LEU A 54 29.858 -5.155 -17.357 1.00 0.00 H new ATOM 312 N VAL A 55 29.611 -9.811 -15.318 1.00 0.00 N ATOM 313 CA VAL A 55 30.182 -10.813 -14.428 1.00 0.00 C ATOM 314 C VAL A 55 31.472 -11.365 -15.037 1.00 0.00 C ATOM 315 O VAL A 55 32.470 -11.508 -14.340 1.00 0.00 O ATOM 316 CB VAL A 55 29.153 -11.931 -14.190 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.832 -13.145 -13.547 1.00 0.00 C ATOM 318 CG2 VAL A 55 28.055 -11.419 -13.254 1.00 0.00 C ATOM 0 H VAL A 55 28.707 -10.070 -15.714 1.00 0.00 H new ATOM 0 HA VAL A 55 30.427 -10.363 -13.466 1.00 0.00 H new ATOM 0 HB VAL A 55 28.722 -12.225 -15.147 1.00 0.00 H new ATOM 0 HG11 VAL A 55 29.094 -13.930 -13.383 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.616 -13.516 -14.208 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.270 -12.854 -12.592 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.324 -12.210 -13.084 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.497 -11.122 -12.303 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.561 -10.560 -13.708 1.00 0.00 H new ATOM 328 N GLU A 56 31.448 -11.671 -16.337 1.00 0.00 N ATOM 329 CA GLU A 56 32.616 -12.196 -17.030 1.00 0.00 C ATOM 330 C GLU A 56 33.767 -11.186 -16.951 1.00 0.00 C ATOM 331 O GLU A 56 34.914 -11.565 -16.723 1.00 0.00 O ATOM 332 CB GLU A 56 32.239 -12.484 -18.491 1.00 0.00 C ATOM 333 CG GLU A 56 33.338 -13.309 -19.174 1.00 0.00 C ATOM 334 CD GLU A 56 33.381 -14.732 -18.627 1.00 0.00 C ATOM 335 OE1 GLU A 56 32.315 -15.385 -18.659 1.00 0.00 O ATOM 336 OE2 GLU A 56 34.477 -15.140 -18.188 1.00 0.00 O ATOM 0 H GLU A 56 30.625 -11.561 -16.929 1.00 0.00 H new ATOM 0 HA GLU A 56 32.946 -13.122 -16.559 1.00 0.00 H new ATOM 0 HB2 GLU A 56 31.293 -13.024 -18.530 1.00 0.00 H new ATOM 0 HB3 GLU A 56 32.093 -11.546 -19.027 1.00 0.00 H new ATOM 0 HG2 GLU A 56 33.161 -13.335 -20.249 1.00 0.00 H new ATOM 0 HG3 GLU A 56 34.305 -12.829 -19.021 1.00 0.00 H new ATOM 343 N GLN A 57 33.453 -9.900 -17.145 1.00 0.00 N ATOM 344 CA GLN A 57 34.450 -8.841 -17.126 1.00 0.00 C ATOM 345 C GLN A 57 35.026 -8.661 -15.720 1.00 0.00 C ATOM 346 O GLN A 57 36.244 -8.645 -15.549 1.00 0.00 O ATOM 347 CB GLN A 57 33.802 -7.537 -17.616 1.00 0.00 C ATOM 348 CG GLN A 57 34.864 -6.439 -17.774 1.00 0.00 C ATOM 349 CD GLN A 57 34.859 -5.490 -16.578 1.00 0.00 C ATOM 350 OE1 GLN A 57 34.069 -4.549 -16.536 1.00 0.00 O ATOM 351 NE2 GLN A 57 35.739 -5.735 -15.607 1.00 0.00 N ATOM 0 H GLN A 57 32.503 -9.572 -17.318 1.00 0.00 H new ATOM 0 HA GLN A 57 35.274 -9.110 -17.788 1.00 0.00 H new ATOM 0 HB2 GLN A 57 33.301 -7.708 -18.569 1.00 0.00 H new ATOM 0 HB3 GLN A 57 33.038 -7.214 -16.908 1.00 0.00 H new ATOM 0 HG2 GLN A 57 35.849 -6.894 -17.876 1.00 0.00 H new ATOM 0 HG3 GLN A 57 34.676 -5.877 -18.689 1.00 0.00 H new ATOM 0 HE21 GLN A 57 36.376 -6.528 -15.684 1.00 0.00 H new ATOM 0 HE22 GLN A 57 35.775 -5.130 -14.787 1.00 0.00 H new ATOM 360 N ASN A 58 34.150 -8.502 -14.722 1.00 0.00 N ATOM 361 CA ASN A 58 34.572 -8.258 -13.348 1.00 0.00 C ATOM 362 C ASN A 58 34.740 -9.580 -12.598 1.00 0.00 C ATOM 363 O ASN A 58 35.860 -10.054 -12.426 1.00 0.00 O ATOM 364 CB ASN A 58 33.544 -7.349 -12.659 1.00 0.00 C ATOM 365 CG ASN A 58 33.461 -6.000 -13.368 1.00 0.00 C ATOM 366 OD1 ASN A 58 34.152 -5.056 -12.995 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.618 -5.915 -14.399 1.00 0.00 N ATOM 0 H ASN A 58 33.138 -8.539 -14.847 1.00 0.00 H new ATOM 0 HA ASN A 58 35.540 -7.757 -13.344 1.00 0.00 H new ATOM 0 HB2 ASN A 58 32.565 -7.829 -12.663 1.00 0.00 H new ATOM 0 HB3 ASN A 58 33.822 -7.201 -11.616 1.00 0.00 H new ATOM 0 HD21 ASN A 58 32.528 -5.039 -14.913 1.00 0.00 H new ATOM 0 HD22 ASN A 58 32.064 -6.726 -14.673 1.00 0.00 H new ATOM 374 N GLY A 59 33.625 -10.167 -12.150 1.00 0.00 N ATOM 375 CA GLY A 59 33.647 -11.420 -11.414 1.00 0.00 C ATOM 376 C GLY A 59 32.479 -11.464 -10.436 1.00 0.00 C ATOM 377 O GLY A 59 31.787 -10.465 -10.247 1.00 0.00 O ATOM 0 H GLY A 59 32.690 -9.783 -12.290 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.586 -12.260 -12.106 1.00 0.00 H new ATOM 0 HA3 GLY A 59 34.589 -11.519 -10.875 1.00 0.00 H new ATOM 381 N THR A 60 32.262 -12.625 -9.810 1.00 0.00 N ATOM 382 CA THR A 60 31.185 -12.796 -8.844 1.00 0.00 C ATOM 383 C THR A 60 31.661 -12.399 -7.440 1.00 0.00 C ATOM 384 O THR A 60 30.998 -12.714 -6.453 1.00 0.00 O ATOM 385 CB THR A 60 30.719 -14.258 -8.867 1.00 0.00 C ATOM 386 OG1 THR A 60 31.827 -15.110 -8.656 1.00 0.00 O ATOM 387 CG2 THR A 60 30.085 -14.580 -10.222 1.00 0.00 C ATOM 0 H THR A 60 32.825 -13.462 -9.960 1.00 0.00 H new ATOM 0 HA THR A 60 30.349 -12.149 -9.109 1.00 0.00 H new ATOM 0 HB THR A 60 29.983 -14.411 -8.078 1.00 0.00 H new ATOM 0 HG1 THR A 60 31.529 -16.043 -8.669 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.756 -15.619 -10.232 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.228 -13.927 -10.387 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.818 -14.424 -11.013 1.00 0.00 H new ATOM 395 N ASP A 61 32.810 -11.710 -7.353 1.00 0.00 N ATOM 396 CA ASP A 61 33.363 -11.276 -6.079 1.00 0.00 C ATOM 397 C ASP A 61 32.834 -9.881 -5.736 1.00 0.00 C ATOM 398 O ASP A 61 31.944 -9.745 -4.895 1.00 0.00 O ATOM 399 CB ASP A 61 34.894 -11.288 -6.166 1.00 0.00 C ATOM 400 CG ASP A 61 35.517 -10.788 -4.868 1.00 0.00 C ATOM 401 OD1 ASP A 61 35.150 -11.343 -3.811 1.00 0.00 O ATOM 402 OD2 ASP A 61 36.349 -9.861 -4.960 1.00 0.00 O ATOM 0 H ASP A 61 33.371 -11.444 -8.162 1.00 0.00 H new ATOM 0 HA ASP A 61 33.057 -11.956 -5.284 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.242 -12.299 -6.375 1.00 0.00 H new ATOM 0 HB3 ASP A 61 35.220 -10.661 -6.996 1.00 0.00 H new ATOM 407 N ASP A 62 33.381 -8.844 -6.391 1.00 0.00 N ATOM 408 CA ASP A 62 32.962 -7.469 -6.152 1.00 0.00 C ATOM 409 C ASP A 62 31.616 -7.209 -6.827 1.00 0.00 C ATOM 410 O ASP A 62 31.547 -6.636 -7.916 1.00 0.00 O ATOM 411 CB ASP A 62 34.044 -6.493 -6.653 1.00 0.00 C ATOM 412 CG ASP A 62 34.543 -5.604 -5.518 1.00 0.00 C ATOM 413 OD1 ASP A 62 33.685 -4.910 -4.925 1.00 0.00 O ATOM 414 OD2 ASP A 62 35.765 -5.631 -5.267 1.00 0.00 O ATOM 0 H ASP A 62 34.116 -8.941 -7.091 1.00 0.00 H new ATOM 0 HA ASP A 62 32.837 -7.308 -5.081 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.878 -7.054 -7.075 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.639 -5.874 -7.454 1.00 0.00 H new ATOM 419 N TRP A 63 30.538 -7.629 -6.169 1.00 0.00 N ATOM 420 CA TRP A 63 29.197 -7.418 -6.677 1.00 0.00 C ATOM 421 C TRP A 63 28.843 -5.931 -6.613 1.00 0.00 C ATOM 422 O TRP A 63 27.958 -5.477 -7.333 1.00 0.00 O ATOM 423 CB TRP A 63 28.213 -8.262 -5.869 1.00 0.00 C ATOM 424 CG TRP A 63 28.115 -9.677 -6.334 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.440 -10.770 -5.624 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.669 -10.174 -7.627 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.236 -11.912 -6.362 1.00 0.00 N ATOM 428 CE2 TRP A 63 27.757 -11.601 -7.620 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.198 -9.566 -8.814 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.401 -12.376 -8.726 1.00 0.00 C ATOM 431 CZ3 TRP A 63 26.835 -10.343 -9.928 1.00 0.00 C ATOM 432 CH2 TRP A 63 26.940 -11.744 -9.886 1.00 0.00 C ATOM 0 H TRP A 63 30.575 -8.121 -5.276 1.00 0.00 H new ATOM 0 HA TRP A 63 29.141 -7.728 -7.720 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.515 -8.253 -4.822 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.226 -7.803 -5.920 1.00 0.00 H new ATOM 0 HD1 TRP A 63 28.812 -10.754 -4.610 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.414 -12.859 -6.027 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.116 -8.490 -8.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 27.481 -13.452 -8.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.473 -9.860 -10.823 1.00 0.00 H new ATOM 0 HH2 TRP A 63 26.665 -12.332 -10.749 1.00 0.00 H new ATOM 443 N LYS A 64 29.544 -5.173 -5.758 1.00 0.00 N ATOM 444 CA LYS A 64 29.318 -3.744 -5.629 1.00 0.00 C ATOM 445 C LYS A 64 29.686 -3.042 -6.937 1.00 0.00 C ATOM 446 O LYS A 64 28.979 -2.139 -7.375 1.00 0.00 O ATOM 447 CB LYS A 64 30.154 -3.204 -4.465 1.00 0.00 C ATOM 448 CG LYS A 64 29.813 -1.730 -4.220 1.00 0.00 C ATOM 449 CD LYS A 64 30.584 -1.221 -3.001 1.00 0.00 C ATOM 450 CE LYS A 64 30.255 0.256 -2.765 1.00 0.00 C ATOM 451 NZ LYS A 64 30.979 0.779 -1.593 1.00 0.00 N ATOM 0 H LYS A 64 30.274 -5.537 -5.146 1.00 0.00 H new ATOM 0 HA LYS A 64 28.265 -3.552 -5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 64 29.959 -3.786 -3.564 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.216 -3.309 -4.689 1.00 0.00 H new ATOM 0 HG2 LYS A 64 30.068 -1.136 -5.098 1.00 0.00 H new ATOM 0 HG3 LYS A 64 28.741 -1.616 -4.059 1.00 0.00 H new ATOM 0 HD2 LYS A 64 30.321 -1.808 -2.121 1.00 0.00 H new ATOM 0 HD3 LYS A 64 31.655 -1.345 -3.158 1.00 0.00 H new ATOM 0 HE2 LYS A 64 30.519 0.837 -3.649 1.00 0.00 H new ATOM 0 HE3 LYS A 64 29.182 0.374 -2.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 30.738 1.781 -1.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 30.707 0.238 -0.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 32.003 0.687 -1.748 1.00 0.00 H new ATOM 465 N VAL A 65 30.797 -3.458 -7.562 1.00 0.00 N ATOM 466 CA VAL A 65 31.249 -2.860 -8.812 1.00 0.00 C ATOM 467 C VAL A 65 30.164 -3.012 -9.880 1.00 0.00 C ATOM 468 O VAL A 65 29.844 -2.055 -10.584 1.00 0.00 O ATOM 469 CB VAL A 65 32.556 -3.535 -9.254 1.00 0.00 C ATOM 470 CG1 VAL A 65 32.982 -3.000 -10.623 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.658 -3.240 -8.235 1.00 0.00 C ATOM 0 H VAL A 65 31.395 -4.208 -7.216 1.00 0.00 H new ATOM 0 HA VAL A 65 31.438 -1.796 -8.668 1.00 0.00 H new ATOM 0 HB VAL A 65 32.394 -4.611 -9.319 1.00 0.00 H new ATOM 0 HG11 VAL A 65 33.910 -3.483 -10.930 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.203 -3.212 -11.355 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.137 -1.923 -10.560 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.584 -3.720 -8.551 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.812 -2.163 -8.168 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.364 -3.626 -7.259 1.00 0.00 H new ATOM 481 N ILE A 66 29.601 -4.217 -9.995 1.00 0.00 N ATOM 482 CA ILE A 66 28.560 -4.497 -10.972 1.00 0.00 C ATOM 483 C ILE A 66 27.292 -3.716 -10.614 1.00 0.00 C ATOM 484 O ILE A 66 26.664 -3.112 -11.484 1.00 0.00 O ATOM 485 CB ILE A 66 28.295 -6.011 -11.002 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.560 -6.735 -11.497 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.122 -6.314 -11.943 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.510 -8.215 -11.122 1.00 0.00 C ATOM 0 H ILE A 66 29.855 -5.017 -9.416 1.00 0.00 H new ATOM 0 HA ILE A 66 28.879 -4.180 -11.965 1.00 0.00 H new ATOM 0 HB ILE A 66 28.044 -6.358 -10.000 1.00 0.00 H new ATOM 0 HG12 ILE A 66 29.646 -6.630 -12.579 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.445 -6.273 -11.060 1.00 0.00 H new ATOM 0 HG21 ILE A 66 26.938 -7.388 -11.961 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.229 -5.799 -11.589 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.364 -5.971 -12.949 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.412 -8.712 -11.480 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.447 -8.314 -10.038 1.00 0.00 H new ATOM 0 HD13 ILE A 66 28.636 -8.677 -11.580 1.00 0.00 H new ATOM 500 N ALA A 67 26.924 -3.731 -9.329 1.00 0.00 N ATOM 501 CA ALA A 67 25.738 -3.040 -8.847 1.00 0.00 C ATOM 502 C ALA A 67 25.819 -1.543 -9.154 1.00 0.00 C ATOM 503 O ALA A 67 24.808 -0.925 -9.466 1.00 0.00 O ATOM 504 CB ALA A 67 25.607 -3.272 -7.343 1.00 0.00 C ATOM 0 H ALA A 67 27.442 -4.223 -8.601 1.00 0.00 H new ATOM 0 HA ALA A 67 24.859 -3.435 -9.356 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.721 -2.758 -6.971 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.516 -4.340 -7.146 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.491 -2.884 -6.837 1.00 0.00 H new ATOM 510 N ASN A 68 27.021 -0.963 -9.063 1.00 0.00 N ATOM 511 CA ASN A 68 27.218 0.459 -9.323 1.00 0.00 C ATOM 512 C ASN A 68 26.902 0.800 -10.783 1.00 0.00 C ATOM 513 O ASN A 68 26.528 1.934 -11.078 1.00 0.00 O ATOM 514 CB ASN A 68 28.665 0.848 -8.989 1.00 0.00 C ATOM 515 CG ASN A 68 28.832 1.160 -7.503 1.00 0.00 C ATOM 516 OD1 ASN A 68 28.122 0.616 -6.661 1.00 0.00 O ATOM 517 ND2 ASN A 68 29.778 2.044 -7.182 1.00 0.00 N ATOM 0 H ASN A 68 27.873 -1.463 -8.810 1.00 0.00 H new ATOM 0 HA ASN A 68 26.535 1.026 -8.690 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.335 0.035 -9.269 1.00 0.00 H new ATOM 0 HB3 ASN A 68 28.955 1.717 -9.579 1.00 0.00 H new ATOM 0 HD21 ASN A 68 29.934 2.292 -6.205 1.00 0.00 H new ATOM 0 HD22 ASN A 68 30.345 2.472 -7.914 1.00 0.00 H new ATOM 524 N TYR A 69 27.057 -0.167 -11.699 1.00 0.00 N ATOM 525 CA TYR A 69 26.808 0.075 -13.116 1.00 0.00 C ATOM 526 C TYR A 69 25.310 0.030 -13.411 1.00 0.00 C ATOM 527 O TYR A 69 24.788 0.920 -14.082 1.00 0.00 O ATOM 528 CB TYR A 69 27.546 -0.971 -13.963 1.00 0.00 C ATOM 529 CG TYR A 69 29.050 -1.018 -13.747 1.00 0.00 C ATOM 530 CD1 TYR A 69 29.776 0.159 -13.464 1.00 0.00 C ATOM 531 CD2 TYR A 69 29.728 -2.246 -13.852 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.168 0.099 -13.284 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.119 -2.302 -13.673 1.00 0.00 C ATOM 534 CZ TYR A 69 31.839 -1.130 -13.389 1.00 0.00 C ATOM 535 OH TYR A 69 33.191 -1.185 -13.219 1.00 0.00 O ATOM 0 H TYR A 69 27.353 -1.118 -11.479 1.00 0.00 H new ATOM 0 HA TYR A 69 27.180 1.067 -13.372 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.130 -1.955 -13.744 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.350 -0.769 -15.016 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.262 1.105 -13.386 1.00 0.00 H new ATOM 0 HD2 TYR A 69 29.177 -3.148 -14.071 1.00 0.00 H new ATOM 0 HE1 TYR A 69 31.723 0.999 -13.065 1.00 0.00 H new ATOM 0 HE2 TYR A 69 31.636 -3.247 -13.754 1.00 0.00 H new ATOM 0 HH TYR A 69 33.496 -2.110 -13.323 1.00 0.00 H new ATOM 545 N LEU A 70 24.618 -1.005 -12.923 1.00 0.00 N ATOM 546 CA LEU A 70 23.191 -1.161 -13.176 1.00 0.00 C ATOM 547 C LEU A 70 22.393 -0.247 -12.227 1.00 0.00 C ATOM 548 O LEU A 70 22.614 -0.276 -11.021 1.00 0.00 O ATOM 549 CB LEU A 70 22.796 -2.633 -12.986 1.00 0.00 C ATOM 550 CG LEU A 70 23.629 -3.543 -13.905 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.253 -5.002 -13.643 1.00 0.00 C ATOM 552 CD2 LEU A 70 23.352 -3.208 -15.374 1.00 0.00 C ATOM 0 H LEU A 70 25.027 -1.744 -12.351 1.00 0.00 H new ATOM 0 HA LEU A 70 22.962 -0.871 -14.202 1.00 0.00 H new ATOM 0 HB2 LEU A 70 22.945 -2.923 -11.946 1.00 0.00 H new ATOM 0 HB3 LEU A 70 21.736 -2.761 -13.203 1.00 0.00 H new ATOM 0 HG LEU A 70 24.687 -3.386 -13.697 1.00 0.00 H new ATOM 0 HD11 LEU A 70 23.841 -5.651 -14.292 1.00 0.00 H new ATOM 0 HD12 LEU A 70 23.457 -5.249 -12.601 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.192 -5.147 -13.849 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.948 -3.859 -16.014 1.00 0.00 H new ATOM 0 HD22 LEU A 70 22.294 -3.358 -15.588 1.00 0.00 H new ATOM 0 HD23 LEU A 70 23.617 -2.168 -15.566 1.00 0.00 H new ATOM 564 N PRO A 71 21.464 0.576 -12.764 1.00 0.00 N ATOM 565 CA PRO A 71 20.678 1.496 -11.959 1.00 0.00 C ATOM 566 C PRO A 71 19.733 0.748 -11.013 1.00 0.00 C ATOM 567 O PRO A 71 19.172 -0.283 -11.378 1.00 0.00 O ATOM 568 CB PRO A 71 19.889 2.348 -12.958 1.00 0.00 C ATOM 569 CG PRO A 71 20.071 1.699 -14.334 1.00 0.00 C ATOM 570 CD PRO A 71 21.164 0.642 -14.181 1.00 0.00 C ATOM 0 HA PRO A 71 21.317 2.107 -11.322 1.00 0.00 H new ATOM 0 HB2 PRO A 71 18.834 2.386 -12.685 1.00 0.00 H new ATOM 0 HB3 PRO A 71 20.254 3.375 -12.964 1.00 0.00 H new ATOM 0 HG2 PRO A 71 19.140 1.246 -14.674 1.00 0.00 H new ATOM 0 HG3 PRO A 71 20.354 2.443 -15.078 1.00 0.00 H new ATOM 0 HD2 PRO A 71 20.826 -0.325 -14.553 1.00 0.00 H new ATOM 0 HD3 PRO A 71 22.050 0.912 -14.755 1.00 0.00 H new ATOM 578 N ASN A 72 19.556 1.293 -9.795 1.00 0.00 N ATOM 579 CA ASN A 72 18.660 0.726 -8.783 1.00 0.00 C ATOM 580 C ASN A 72 18.997 -0.741 -8.512 1.00 0.00 C ATOM 581 O ASN A 72 18.097 -1.575 -8.385 1.00 0.00 O ATOM 582 CB ASN A 72 17.203 0.873 -9.241 1.00 0.00 C ATOM 583 CG ASN A 72 16.865 2.331 -9.532 1.00 0.00 C ATOM 584 OD1 ASN A 72 16.739 3.136 -8.614 1.00 0.00 O ATOM 585 ND2 ASN A 72 16.718 2.670 -10.814 1.00 0.00 N ATOM 0 H ASN A 72 20.034 2.141 -9.489 1.00 0.00 H new ATOM 0 HA ASN A 72 18.796 1.274 -7.850 1.00 0.00 H new ATOM 0 HB2 ASN A 72 17.037 0.272 -10.135 1.00 0.00 H new ATOM 0 HB3 ASN A 72 16.535 0.488 -8.470 1.00 0.00 H new ATOM 0 HD21 ASN A 72 16.491 3.633 -11.064 1.00 0.00 H new ATOM 0 HD22 ASN A 72 16.832 1.967 -11.544 1.00 0.00 H new ATOM 592 N ARG A 73 20.294 -1.050 -8.420 1.00 0.00 N ATOM 593 CA ARG A 73 20.761 -2.406 -8.162 1.00 0.00 C ATOM 594 C ARG A 73 21.764 -2.383 -7.021 1.00 0.00 C ATOM 595 O ARG A 73 22.601 -1.487 -6.947 1.00 0.00 O ATOM 596 CB ARG A 73 21.398 -2.976 -9.427 1.00 0.00 C ATOM 597 CG ARG A 73 20.354 -3.048 -10.543 1.00 0.00 C ATOM 598 CD ARG A 73 20.194 -4.490 -11.001 1.00 0.00 C ATOM 599 NE ARG A 73 19.035 -4.627 -11.884 1.00 0.00 N ATOM 600 CZ ARG A 73 17.784 -4.802 -11.433 1.00 0.00 C ATOM 601 NH1 ARG A 73 17.513 -4.644 -10.132 1.00 0.00 N ATOM 602 NH2 ARG A 73 16.810 -5.134 -12.284 1.00 0.00 N ATOM 0 H ARG A 73 21.044 -0.366 -8.523 1.00 0.00 H new ATOM 0 HA ARG A 73 19.921 -3.041 -7.879 1.00 0.00 H new ATOM 0 HB2 ARG A 73 22.234 -2.350 -9.738 1.00 0.00 H new ATOM 0 HB3 ARG A 73 21.800 -3.969 -9.227 1.00 0.00 H new ATOM 0 HG2 ARG A 73 19.399 -2.661 -10.187 1.00 0.00 H new ATOM 0 HG3 ARG A 73 20.659 -2.422 -11.381 1.00 0.00 H new ATOM 0 HD2 ARG A 73 21.095 -4.813 -11.523 1.00 0.00 H new ATOM 0 HD3 ARG A 73 20.076 -5.141 -10.135 1.00 0.00 H new ATOM 0 HE ARG A 73 19.186 -4.587 -12.892 1.00 0.00 H new ATOM 0 HH11 ARG A 73 18.258 -4.390 -9.483 1.00 0.00 H new ATOM 0 HH12 ARG A 73 16.562 -4.777 -9.789 1.00 0.00 H new ATOM 0 HH21 ARG A 73 17.018 -5.254 -13.275 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.858 -5.267 -11.943 1.00 0.00 H new ATOM 616 N THR A 74 21.673 -3.379 -6.136 1.00 0.00 N ATOM 617 CA THR A 74 22.576 -3.513 -5.006 1.00 0.00 C ATOM 618 C THR A 74 23.432 -4.756 -5.210 1.00 0.00 C ATOM 619 O THR A 74 23.142 -5.572 -6.085 1.00 0.00 O ATOM 620 CB THR A 74 21.765 -3.627 -3.710 1.00 0.00 C ATOM 621 OG1 THR A 74 20.907 -4.749 -3.784 1.00 0.00 O ATOM 622 CG2 THR A 74 20.929 -2.361 -3.505 1.00 0.00 C ATOM 0 H THR A 74 20.967 -4.113 -6.189 1.00 0.00 H new ATOM 0 HA THR A 74 23.221 -2.638 -4.933 1.00 0.00 H new ATOM 0 HB THR A 74 22.450 -3.746 -2.871 1.00 0.00 H new ATOM 0 HG1 THR A 74 20.391 -4.821 -2.954 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.355 -2.449 -2.582 1.00 0.00 H new ATOM 0 HG22 THR A 74 21.589 -1.496 -3.441 1.00 0.00 H new ATOM 0 HG23 THR A 74 20.247 -2.235 -4.346 1.00 0.00 H new ATOM 630 N ASP A 75 24.479 -4.907 -4.402 1.00 0.00 N ATOM 631 CA ASP A 75 25.349 -6.066 -4.481 1.00 0.00 C ATOM 632 C ASP A 75 24.550 -7.319 -4.130 1.00 0.00 C ATOM 633 O ASP A 75 24.723 -8.359 -4.756 1.00 0.00 O ATOM 634 CB ASP A 75 26.534 -5.880 -3.525 1.00 0.00 C ATOM 635 CG ASP A 75 26.064 -5.708 -2.084 1.00 0.00 C ATOM 636 OD1 ASP A 75 25.349 -4.711 -1.834 1.00 0.00 O ATOM 637 OD2 ASP A 75 26.425 -6.575 -1.262 1.00 0.00 O ATOM 0 H ASP A 75 24.742 -4.234 -3.682 1.00 0.00 H new ATOM 0 HA ASP A 75 25.739 -6.177 -5.493 1.00 0.00 H new ATOM 0 HB2 ASP A 75 27.197 -6.742 -3.593 1.00 0.00 H new ATOM 0 HB3 ASP A 75 27.114 -5.008 -3.827 1.00 0.00 H new ATOM 642 N VAL A 76 23.667 -7.208 -3.128 1.00 0.00 N ATOM 643 CA VAL A 76 22.834 -8.320 -2.699 1.00 0.00 C ATOM 644 C VAL A 76 21.871 -8.715 -3.820 1.00 0.00 C ATOM 645 O VAL A 76 21.732 -9.896 -4.126 1.00 0.00 O ATOM 646 CB VAL A 76 22.062 -7.920 -1.431 1.00 0.00 C ATOM 647 CG1 VAL A 76 21.170 -9.082 -0.978 1.00 0.00 C ATOM 648 CG2 VAL A 76 23.050 -7.575 -0.311 1.00 0.00 C ATOM 0 H VAL A 76 23.517 -6.348 -2.601 1.00 0.00 H new ATOM 0 HA VAL A 76 23.462 -9.181 -2.471 1.00 0.00 H new ATOM 0 HB VAL A 76 21.443 -7.051 -1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.625 -8.793 -0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.461 -9.326 -1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.789 -9.953 -0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 76 22.499 -7.292 0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.673 -8.443 -0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.682 -6.744 -0.626 1.00 0.00 H new ATOM 658 N GLN A 77 21.201 -7.726 -4.429 1.00 0.00 N ATOM 659 CA GLN A 77 20.247 -7.988 -5.500 1.00 0.00 C ATOM 660 C GLN A 77 20.961 -8.599 -6.706 1.00 0.00 C ATOM 661 O GLN A 77 20.492 -9.591 -7.261 1.00 0.00 O ATOM 662 CB GLN A 77 19.539 -6.686 -5.886 1.00 0.00 C ATOM 663 CG GLN A 77 18.593 -6.943 -7.067 1.00 0.00 C ATOM 664 CD GLN A 77 17.608 -5.793 -7.268 1.00 0.00 C ATOM 665 OE1 GLN A 77 16.520 -5.998 -7.799 1.00 0.00 O ATOM 666 NE2 GLN A 77 17.988 -4.583 -6.852 1.00 0.00 N ATOM 0 H GLN A 77 21.307 -6.739 -4.193 1.00 0.00 H new ATOM 0 HA GLN A 77 19.500 -8.702 -5.153 1.00 0.00 H new ATOM 0 HB2 GLN A 77 18.978 -6.300 -5.035 1.00 0.00 H new ATOM 0 HB3 GLN A 77 20.274 -5.927 -6.154 1.00 0.00 H new ATOM 0 HG2 GLN A 77 19.177 -7.084 -7.976 1.00 0.00 H new ATOM 0 HG3 GLN A 77 18.042 -7.868 -6.896 1.00 0.00 H new ATOM 0 HE21 GLN A 77 18.901 -4.457 -6.416 1.00 0.00 H new ATOM 0 HE22 GLN A 77 17.365 -3.784 -6.970 1.00 0.00 H new ATOM 675 N CYS A 78 22.091 -8.007 -7.111 1.00 0.00 N ATOM 676 CA CYS A 78 22.851 -8.505 -8.249 1.00 0.00 C ATOM 677 C CYS A 78 23.306 -9.937 -7.969 1.00 0.00 C ATOM 678 O CYS A 78 23.160 -10.816 -8.817 1.00 0.00 O ATOM 679 CB CYS A 78 24.064 -7.607 -8.508 1.00 0.00 C ATOM 680 SG CYS A 78 23.507 -6.067 -9.272 1.00 0.00 S ATOM 0 H CYS A 78 22.494 -7.184 -6.664 1.00 0.00 H new ATOM 0 HA CYS A 78 22.218 -8.496 -9.136 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.583 -7.397 -7.573 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.775 -8.114 -9.160 1.00 0.00 H new ATOM 0 HG CYS A 78 24.444 -5.601 -10.043 1.00 0.00 H new ATOM 686 N GLN A 79 23.858 -10.161 -6.768 1.00 0.00 N ATOM 687 CA GLN A 79 24.332 -11.471 -6.358 1.00 0.00 C ATOM 688 C GLN A 79 23.201 -12.486 -6.447 1.00 0.00 C ATOM 689 O GLN A 79 23.353 -13.522 -7.085 1.00 0.00 O ATOM 690 CB GLN A 79 24.875 -11.388 -4.927 1.00 0.00 C ATOM 691 CG GLN A 79 25.254 -12.785 -4.433 1.00 0.00 C ATOM 692 CD GLN A 79 26.106 -12.704 -3.172 1.00 0.00 C ATOM 693 OE1 GLN A 79 25.628 -12.277 -2.125 1.00 0.00 O ATOM 694 NE2 GLN A 79 27.371 -13.115 -3.272 1.00 0.00 N ATOM 0 H GLN A 79 23.984 -9.435 -6.062 1.00 0.00 H new ATOM 0 HA GLN A 79 25.133 -11.795 -7.022 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.746 -10.733 -4.896 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.124 -10.951 -4.269 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.351 -13.361 -4.230 1.00 0.00 H new ATOM 0 HG3 GLN A 79 25.801 -13.315 -5.213 1.00 0.00 H new ATOM 0 HE21 GLN A 79 27.725 -13.463 -4.163 1.00 0.00 H new ATOM 0 HE22 GLN A 79 27.984 -13.082 -2.457 1.00 0.00 H new ATOM 703 N HIS A 80 22.067 -12.183 -5.804 1.00 0.00 N ATOM 704 CA HIS A 80 20.914 -13.067 -5.811 1.00 0.00 C ATOM 705 C HIS A 80 20.524 -13.403 -7.242 1.00 0.00 C ATOM 706 O HIS A 80 20.399 -14.573 -7.587 1.00 0.00 O ATOM 707 CB HIS A 80 19.742 -12.393 -5.090 1.00 0.00 C ATOM 708 CG HIS A 80 19.788 -12.567 -3.596 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.787 -12.089 -2.761 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.691 -13.171 -2.755 1.00 0.00 C ATOM 711 CE1 HIS A 80 19.136 -12.424 -1.505 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.290 -13.088 -1.430 1.00 0.00 N ATOM 0 H HIS A 80 21.931 -11.324 -5.271 1.00 0.00 H new ATOM 0 HA HIS A 80 21.168 -13.991 -5.291 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.742 -11.329 -5.326 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.806 -12.803 -5.469 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.600 -13.651 -3.085 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.538 -12.178 -0.640 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.762 -13.447 -0.600 1.00 0.00 H new ATOM 720 N ARG A 81 20.328 -12.379 -8.075 1.00 0.00 N ATOM 721 CA ARG A 81 19.923 -12.588 -9.453 1.00 0.00 C ATOM 722 C ARG A 81 20.849 -13.593 -10.137 1.00 0.00 C ATOM 723 O ARG A 81 20.397 -14.365 -10.973 1.00 0.00 O ATOM 724 CB ARG A 81 19.916 -11.249 -10.206 1.00 0.00 C ATOM 725 CG ARG A 81 19.424 -11.446 -11.653 1.00 0.00 C ATOM 726 CD ARG A 81 17.984 -11.977 -11.657 1.00 0.00 C ATOM 727 NE ARG A 81 17.412 -11.964 -13.009 1.00 0.00 N ATOM 728 CZ ARG A 81 16.131 -12.292 -13.261 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.318 -12.645 -12.256 1.00 0.00 N ATOM 730 NH2 ARG A 81 15.665 -12.267 -14.515 1.00 0.00 N ATOM 0 H ARG A 81 20.445 -11.400 -7.813 1.00 0.00 H new ATOM 0 HA ARG A 81 18.913 -12.999 -9.466 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.271 -10.538 -9.690 1.00 0.00 H new ATOM 0 HB3 ARG A 81 20.919 -10.823 -10.212 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.472 -10.500 -12.193 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.078 -12.144 -12.175 1.00 0.00 H new ATOM 0 HD2 ARG A 81 17.968 -12.993 -11.263 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.369 -11.369 -10.994 1.00 0.00 H new ATOM 0 HE ARG A 81 18.010 -11.695 -13.790 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.670 -12.665 -11.299 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.348 -12.893 -12.448 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.281 -11.999 -15.283 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.694 -12.516 -14.703 1.00 0.00 H new ATOM 744 N TRP A 82 22.143 -13.588 -9.792 1.00 0.00 N ATOM 745 CA TRP A 82 23.086 -14.491 -10.421 1.00 0.00 C ATOM 746 C TRP A 82 23.202 -15.812 -9.657 1.00 0.00 C ATOM 747 O TRP A 82 22.718 -16.837 -10.120 1.00 0.00 O ATOM 748 CB TRP A 82 24.454 -13.826 -10.549 1.00 0.00 C ATOM 749 CG TRP A 82 25.393 -14.617 -11.397 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.265 -15.541 -10.959 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.527 -14.613 -12.844 1.00 0.00 C ATOM 752 NE1 TRP A 82 26.924 -16.128 -12.011 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.502 -15.592 -13.212 1.00 0.00 C ATOM 754 CE3 TRP A 82 24.914 -13.895 -13.893 1.00 0.00 C ATOM 755 CZ2 TRP A 82 26.836 -15.848 -14.543 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.256 -14.144 -15.234 1.00 0.00 C ATOM 757 CH2 TRP A 82 26.213 -15.124 -15.556 1.00 0.00 C ATOM 0 H TRP A 82 22.548 -12.972 -9.087 1.00 0.00 H new ATOM 0 HA TRP A 82 22.709 -14.720 -11.418 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.333 -12.831 -10.977 1.00 0.00 H new ATOM 0 HB3 TRP A 82 24.886 -13.696 -9.557 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.426 -15.788 -9.920 1.00 0.00 H new ATOM 0 HE1 TRP A 82 27.629 -16.860 -11.918 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.172 -13.144 -13.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 27.571 -16.601 -14.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 24.781 -13.579 -16.022 1.00 0.00 H new ATOM 0 HH2 TRP A 82 26.464 -15.315 -16.589 1.00 0.00 H new ATOM 768 N GLN A 83 23.867 -15.788 -8.499 1.00 0.00 N ATOM 769 CA GLN A 83 24.144 -16.993 -7.726 1.00 0.00 C ATOM 770 C GLN A 83 22.869 -17.786 -7.410 1.00 0.00 C ATOM 771 O GLN A 83 22.949 -18.992 -7.182 1.00 0.00 O ATOM 772 CB GLN A 83 24.882 -16.604 -6.439 1.00 0.00 C ATOM 773 CG GLN A 83 26.326 -16.205 -6.782 1.00 0.00 C ATOM 774 CD GLN A 83 27.075 -15.671 -5.563 1.00 0.00 C ATOM 775 OE1 GLN A 83 27.810 -14.689 -5.666 1.00 0.00 O ATOM 776 NE2 GLN A 83 26.894 -16.312 -4.408 1.00 0.00 N ATOM 0 H GLN A 83 24.226 -14.933 -8.075 1.00 0.00 H new ATOM 0 HA GLN A 83 24.773 -17.650 -8.327 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.370 -15.776 -5.949 1.00 0.00 H new ATOM 0 HB3 GLN A 83 24.880 -17.439 -5.738 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.856 -17.069 -7.183 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.317 -15.445 -7.564 1.00 0.00 H new ATOM 0 HE21 GLN A 83 26.276 -17.122 -4.366 1.00 0.00 H new ATOM 0 HE22 GLN A 83 27.374 -15.992 -3.567 1.00 0.00 H new ATOM 785 N LYS A 84 21.700 -17.129 -7.391 1.00 0.00 N ATOM 786 CA LYS A 84 20.446 -17.811 -7.087 1.00 0.00 C ATOM 787 C LYS A 84 19.715 -18.232 -8.373 1.00 0.00 C ATOM 788 O LYS A 84 18.776 -19.024 -8.298 1.00 0.00 O ATOM 789 CB LYS A 84 19.563 -16.892 -6.230 1.00 0.00 C ATOM 790 CG LYS A 84 18.724 -17.726 -5.261 1.00 0.00 C ATOM 791 CD LYS A 84 17.906 -16.789 -4.364 1.00 0.00 C ATOM 792 CE LYS A 84 17.010 -17.606 -3.428 1.00 0.00 C ATOM 793 NZ LYS A 84 17.811 -18.404 -2.480 1.00 0.00 N ATOM 0 H LYS A 84 21.603 -16.132 -7.582 1.00 0.00 H new ATOM 0 HA LYS A 84 20.665 -18.721 -6.528 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.186 -16.191 -5.674 1.00 0.00 H new ATOM 0 HB3 LYS A 84 18.911 -16.299 -6.871 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.060 -18.390 -5.815 1.00 0.00 H new ATOM 0 HG3 LYS A 84 19.371 -18.358 -4.652 1.00 0.00 H new ATOM 0 HD2 LYS A 84 18.575 -16.157 -3.780 1.00 0.00 H new ATOM 0 HD3 LYS A 84 17.296 -16.126 -4.978 1.00 0.00 H new ATOM 0 HE2 LYS A 84 16.350 -16.936 -2.876 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.373 -18.267 -4.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 17.189 -18.798 -1.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 18.280 -19.180 -2.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 18.530 -17.797 -2.036 1.00 0.00 H new ATOM 807 N VAL A 85 20.131 -17.711 -9.551 1.00 0.00 N ATOM 808 CA VAL A 85 19.476 -18.052 -10.818 1.00 0.00 C ATOM 809 C VAL A 85 20.519 -18.309 -11.926 1.00 0.00 C ATOM 810 O VAL A 85 20.754 -19.462 -12.282 1.00 0.00 O ATOM 811 CB VAL A 85 18.487 -16.938 -11.224 1.00 0.00 C ATOM 812 CG1 VAL A 85 17.530 -17.472 -12.292 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.675 -16.469 -10.007 1.00 0.00 C ATOM 0 H VAL A 85 20.911 -17.060 -9.642 1.00 0.00 H new ATOM 0 HA VAL A 85 18.912 -18.974 -10.681 1.00 0.00 H new ATOM 0 HB VAL A 85 19.053 -16.094 -11.618 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.831 -16.687 -12.580 1.00 0.00 H new ATOM 0 HG12 VAL A 85 18.100 -17.789 -13.166 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.976 -18.322 -11.892 1.00 0.00 H new ATOM 0 HG21 VAL A 85 16.983 -15.684 -10.312 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.113 -17.309 -9.599 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.352 -16.081 -9.246 1.00 0.00 H new ATOM 823 N LEU A 86 21.138 -17.246 -12.485 1.00 0.00 N ATOM 824 CA LEU A 86 22.114 -17.408 -13.570 1.00 0.00 C ATOM 825 C LEU A 86 23.381 -18.075 -13.041 1.00 0.00 C ATOM 826 O LEU A 86 24.156 -17.452 -12.322 1.00 0.00 O ATOM 827 CB LEU A 86 22.494 -16.046 -14.192 1.00 0.00 C ATOM 828 CG LEU A 86 21.372 -15.436 -15.057 1.00 0.00 C ATOM 829 CD1 LEU A 86 20.677 -16.509 -15.897 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.353 -14.720 -14.174 1.00 0.00 C ATOM 0 H LEU A 86 20.978 -16.279 -12.202 1.00 0.00 H new ATOM 0 HA LEU A 86 21.652 -18.031 -14.336 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.748 -15.348 -13.394 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.388 -16.170 -14.803 1.00 0.00 H new ATOM 0 HG LEU A 86 21.826 -14.714 -15.736 1.00 0.00 H new ATOM 0 HD11 LEU A 86 19.891 -16.049 -16.496 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.405 -16.984 -16.555 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.239 -17.260 -15.239 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.567 -14.294 -14.797 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.915 -15.431 -13.473 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.848 -13.923 -13.620 1.00 0.00 H new