USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 372 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 LYS NZ :NH3+ -167:sc= 1.18 (180deg=-0.114) USER MOD Set 1.2: A 68 ASN : amide:sc= 1.01 K(o=2.2,f=-6!) USER MOD Set 2.1: A 53 LYS NZ :NH3+ 152:sc= 1.07 (180deg=-0.105) USER MOD Set 2.2: A 57 GLN : amide:sc= 0.756 K(o=1.8,f=-6.5!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 172:sc= 2.31 (180deg=2.18) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.268 K(o=-0.27,f=-5!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0157 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 1.06 K(o=1.1,f=-0.037) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0487 USER MOD Single : A 77 GLN : amide:sc= 0.349 K(o=0.35,f=-4.7!) USER MOD Single : A 78 CYS SG : rot 78:sc= 0.183 USER MOD Single : A 79 GLN : amide:sc= -0.358 X(o=-0.36,f=0) USER MOD Single : A 80 HIS : no HD1:sc=-0.00518 X(o=-0.0052,f=0) USER MOD Single : A 83 GLN : amide:sc= -0.733 K(o=-0.73,f=-2.6!) USER MOD Single : A 84 LYS NZ :NH3+ 166:sc= 1.01 (180deg=0.584) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.130 -8.658 -13.338 1.00 0.00 N ATOM 90 CA TRP A 43 14.306 -8.813 -14.178 1.00 0.00 C ATOM 91 C TRP A 43 13.869 -9.127 -15.607 1.00 0.00 C ATOM 92 O TRP A 43 12.771 -9.640 -15.821 1.00 0.00 O ATOM 93 CB TRP A 43 15.182 -9.933 -13.612 1.00 0.00 C ATOM 94 CG TRP A 43 16.107 -9.494 -12.521 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.809 -9.424 -11.211 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.486 -9.040 -12.627 1.00 0.00 C ATOM 97 NE1 TRP A 43 16.885 -8.967 -10.487 1.00 0.00 N ATOM 98 CE2 TRP A 43 17.961 -8.711 -11.318 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.389 -8.870 -13.697 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.259 -8.240 -11.090 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.693 -8.385 -13.476 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.128 -8.072 -12.175 1.00 0.00 C ATOM 0 HA TRP A 43 14.887 -7.891 -14.191 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.538 -10.725 -13.231 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.771 -10.363 -14.422 1.00 0.00 H new ATOM 0 HD1 TRP A 43 14.853 -9.691 -10.785 1.00 0.00 H new ATOM 0 HE1 TRP A 43 16.889 -8.835 -9.476 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.076 -9.115 -14.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.587 -8.008 -10.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.364 -8.252 -14.312 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.130 -7.703 -12.014 1.00 0.00 H new ATOM 113 N THR A 44 14.732 -8.812 -16.582 1.00 0.00 N ATOM 114 CA THR A 44 14.438 -9.041 -17.992 1.00 0.00 C ATOM 115 C THR A 44 15.677 -9.591 -18.692 1.00 0.00 C ATOM 116 O THR A 44 16.781 -9.493 -18.166 1.00 0.00 O ATOM 117 CB THR A 44 14.003 -7.721 -18.645 1.00 0.00 C ATOM 118 OG1 THR A 44 15.017 -6.752 -18.474 1.00 0.00 O ATOM 119 CG2 THR A 44 12.705 -7.218 -18.008 1.00 0.00 C ATOM 0 H THR A 44 15.647 -8.394 -16.411 1.00 0.00 H new ATOM 0 HA THR A 44 13.630 -9.767 -18.084 1.00 0.00 H new ATOM 0 HB THR A 44 13.834 -7.892 -19.708 1.00 0.00 H new ATOM 0 HG1 THR A 44 14.739 -5.911 -18.893 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.407 -6.282 -18.480 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.919 -7.961 -18.148 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.863 -7.053 -16.942 1.00 0.00 H new ATOM 127 N ARG A 45 15.482 -10.163 -19.890 1.00 0.00 N ATOM 128 CA ARG A 45 16.573 -10.712 -20.688 1.00 0.00 C ATOM 129 C ARG A 45 17.685 -9.671 -20.832 1.00 0.00 C ATOM 130 O ARG A 45 18.854 -9.983 -20.630 1.00 0.00 O ATOM 131 CB ARG A 45 16.014 -11.133 -22.063 1.00 0.00 C ATOM 132 CG ARG A 45 17.127 -11.243 -23.123 1.00 0.00 C ATOM 133 CD ARG A 45 18.126 -12.346 -22.754 1.00 0.00 C ATOM 134 NE ARG A 45 19.230 -12.391 -23.726 1.00 0.00 N ATOM 135 CZ ARG A 45 19.135 -12.980 -24.932 1.00 0.00 C ATOM 136 NH1 ARG A 45 18.009 -13.611 -25.295 1.00 0.00 N ATOM 137 NH2 ARG A 45 20.174 -12.931 -25.772 1.00 0.00 N ATOM 0 H ARG A 45 14.564 -10.255 -20.326 1.00 0.00 H new ATOM 0 HA ARG A 45 17.001 -11.587 -20.199 1.00 0.00 H new ATOM 0 HB2 ARG A 45 15.504 -12.092 -21.970 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.270 -10.407 -22.391 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.687 -11.456 -24.097 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.648 -10.289 -23.210 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.522 -12.166 -21.754 1.00 0.00 H new ATOM 0 HD3 ARG A 45 17.618 -13.310 -22.727 1.00 0.00 H new ATOM 0 HE ARG A 45 20.115 -11.952 -23.472 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.216 -13.647 -24.655 1.00 0.00 H new ATOM 0 HH12 ARG A 45 17.946 -14.055 -26.211 1.00 0.00 H new ATOM 0 HH21 ARG A 45 21.030 -12.450 -25.497 1.00 0.00 H new ATOM 0 HH22 ARG A 45 20.111 -13.375 -26.688 1.00 0.00 H new ATOM 151 N GLU A 46 17.314 -8.435 -21.183 1.00 0.00 N ATOM 152 CA GLU A 46 18.277 -7.363 -21.367 1.00 0.00 C ATOM 153 C GLU A 46 19.133 -7.196 -20.109 1.00 0.00 C ATOM 154 O GLU A 46 20.358 -7.175 -20.190 1.00 0.00 O ATOM 155 CB GLU A 46 17.529 -6.065 -21.689 1.00 0.00 C ATOM 156 CG GLU A 46 18.506 -5.030 -22.254 1.00 0.00 C ATOM 157 CD GLU A 46 17.906 -3.633 -22.197 1.00 0.00 C ATOM 158 OE1 GLU A 46 17.947 -3.045 -21.093 1.00 0.00 O ATOM 159 OE2 GLU A 46 17.419 -3.180 -23.253 1.00 0.00 O ATOM 0 H GLU A 46 16.345 -8.159 -21.344 1.00 0.00 H new ATOM 0 HA GLU A 46 18.941 -7.608 -22.196 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.735 -6.261 -22.410 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.053 -5.676 -20.789 1.00 0.00 H new ATOM 0 HG2 GLU A 46 19.437 -5.054 -21.687 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.754 -5.282 -23.285 1.00 0.00 H new ATOM 166 N GLU A 47 18.485 -7.072 -18.947 1.00 0.00 N ATOM 167 CA GLU A 47 19.189 -6.882 -17.688 1.00 0.00 C ATOM 168 C GLU A 47 20.087 -8.085 -17.393 1.00 0.00 C ATOM 169 O GLU A 47 21.252 -7.914 -17.037 1.00 0.00 O ATOM 170 CB GLU A 47 18.170 -6.674 -16.567 1.00 0.00 C ATOM 171 CG GLU A 47 18.790 -5.830 -15.452 1.00 0.00 C ATOM 172 CD GLU A 47 18.553 -4.346 -15.704 1.00 0.00 C ATOM 173 OE1 GLU A 47 19.260 -3.795 -16.580 1.00 0.00 O ATOM 174 OE2 GLU A 47 17.665 -3.792 -15.016 1.00 0.00 O ATOM 0 H GLU A 47 17.469 -7.101 -18.859 1.00 0.00 H new ATOM 0 HA GLU A 47 19.825 -6.000 -17.756 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.281 -6.179 -16.958 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.850 -7.638 -16.171 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.359 -6.114 -14.492 1.00 0.00 H new ATOM 0 HG3 GLU A 47 19.860 -6.027 -15.392 1.00 0.00 H new ATOM 181 N ASP A 48 19.546 -9.299 -17.544 1.00 0.00 N ATOM 182 CA ASP A 48 20.304 -10.517 -17.303 1.00 0.00 C ATOM 183 C ASP A 48 21.537 -10.545 -18.200 1.00 0.00 C ATOM 184 O ASP A 48 22.596 -11.001 -17.779 1.00 0.00 O ATOM 185 CB ASP A 48 19.418 -11.740 -17.573 1.00 0.00 C ATOM 186 CG ASP A 48 18.345 -11.897 -16.503 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.680 -11.684 -15.319 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.203 -12.233 -16.883 1.00 0.00 O ATOM 0 H ASP A 48 18.581 -9.457 -17.834 1.00 0.00 H new ATOM 0 HA ASP A 48 20.629 -10.541 -16.263 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.947 -11.641 -18.551 1.00 0.00 H new ATOM 0 HB3 ASP A 48 20.035 -12.638 -17.606 1.00 0.00 H new ATOM 193 N GLU A 49 21.398 -10.055 -19.437 1.00 0.00 N ATOM 194 CA GLU A 49 22.498 -10.024 -20.382 1.00 0.00 C ATOM 195 C GLU A 49 23.576 -9.052 -19.894 1.00 0.00 C ATOM 196 O GLU A 49 24.763 -9.376 -19.935 1.00 0.00 O ATOM 197 CB GLU A 49 21.965 -9.631 -21.763 1.00 0.00 C ATOM 198 CG GLU A 49 22.998 -9.971 -22.841 1.00 0.00 C ATOM 199 CD GLU A 49 22.314 -10.232 -24.176 1.00 0.00 C ATOM 200 OE1 GLU A 49 21.791 -11.359 -24.333 1.00 0.00 O ATOM 201 OE2 GLU A 49 22.322 -9.305 -25.012 1.00 0.00 O ATOM 0 H GLU A 49 20.524 -9.674 -19.800 1.00 0.00 H new ATOM 0 HA GLU A 49 22.954 -11.011 -20.460 1.00 0.00 H new ATOM 0 HB2 GLU A 49 21.031 -10.156 -21.964 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.742 -8.564 -21.785 1.00 0.00 H new ATOM 0 HG2 GLU A 49 23.707 -9.150 -22.944 1.00 0.00 H new ATOM 0 HG3 GLU A 49 23.569 -10.850 -22.541 1.00 0.00 H new ATOM 208 N LYS A 50 23.165 -7.861 -19.419 1.00 0.00 N ATOM 209 CA LYS A 50 24.111 -6.882 -18.892 1.00 0.00 C ATOM 210 C LYS A 50 24.886 -7.511 -17.736 1.00 0.00 C ATOM 211 O LYS A 50 26.115 -7.465 -17.706 1.00 0.00 O ATOM 212 CB LYS A 50 23.374 -5.630 -18.391 1.00 0.00 C ATOM 213 CG LYS A 50 22.753 -4.855 -19.555 1.00 0.00 C ATOM 214 CD LYS A 50 22.256 -3.495 -19.040 1.00 0.00 C ATOM 215 CE LYS A 50 20.992 -3.068 -19.793 1.00 0.00 C ATOM 216 NZ LYS A 50 19.802 -3.774 -19.279 1.00 0.00 N ATOM 0 H LYS A 50 22.190 -7.563 -19.393 1.00 0.00 H new ATOM 0 HA LYS A 50 24.795 -6.587 -19.688 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.595 -5.920 -17.686 1.00 0.00 H new ATOM 0 HB3 LYS A 50 24.069 -4.987 -17.851 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.488 -4.712 -20.347 1.00 0.00 H new ATOM 0 HG3 LYS A 50 21.926 -5.420 -19.985 1.00 0.00 H new ATOM 0 HD2 LYS A 50 22.047 -3.558 -17.972 1.00 0.00 H new ATOM 0 HD3 LYS A 50 23.035 -2.744 -19.169 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.852 -1.992 -19.693 1.00 0.00 H new ATOM 0 HE3 LYS A 50 21.111 -3.276 -20.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.946 -3.370 -19.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.867 -4.784 -19.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.754 -3.666 -18.246 1.00 0.00 H new ATOM 230 N LEU A 51 24.150 -8.094 -16.782 1.00 0.00 N ATOM 231 CA LEU A 51 24.742 -8.711 -15.610 1.00 0.00 C ATOM 232 C LEU A 51 25.702 -9.822 -16.027 1.00 0.00 C ATOM 233 O LEU A 51 26.822 -9.889 -15.530 1.00 0.00 O ATOM 234 CB LEU A 51 23.619 -9.260 -14.719 1.00 0.00 C ATOM 235 CG LEU A 51 24.174 -9.684 -13.351 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.556 -8.446 -12.535 1.00 0.00 C ATOM 237 CD2 LEU A 51 23.105 -10.476 -12.595 1.00 0.00 C ATOM 0 H LEU A 51 23.132 -8.146 -16.809 1.00 0.00 H new ATOM 0 HA LEU A 51 25.314 -7.972 -15.049 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.849 -8.500 -14.586 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.145 -10.113 -15.206 1.00 0.00 H new ATOM 0 HG LEU A 51 25.059 -10.303 -13.500 1.00 0.00 H new ATOM 0 HD11 LEU A 51 24.949 -8.756 -11.566 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.317 -7.878 -13.070 1.00 0.00 H new ATOM 0 HD13 LEU A 51 23.675 -7.822 -12.387 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.496 -10.779 -11.623 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.222 -9.852 -12.453 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.835 -11.362 -13.169 1.00 0.00 H new ATOM 249 N LYS A 52 25.258 -10.690 -16.941 1.00 0.00 N ATOM 250 CA LYS A 52 26.068 -11.797 -17.419 1.00 0.00 C ATOM 251 C LYS A 52 27.395 -11.280 -17.966 1.00 0.00 C ATOM 252 O LYS A 52 28.452 -11.730 -17.541 1.00 0.00 O ATOM 253 CB LYS A 52 25.291 -12.557 -18.500 1.00 0.00 C ATOM 254 CG LYS A 52 26.163 -13.673 -19.080 1.00 0.00 C ATOM 255 CD LYS A 52 25.322 -14.552 -20.006 1.00 0.00 C ATOM 256 CE LYS A 52 26.214 -15.616 -20.649 1.00 0.00 C ATOM 257 NZ LYS A 52 25.464 -16.410 -21.637 1.00 0.00 N ATOM 0 H LYS A 52 24.331 -10.639 -17.364 1.00 0.00 H new ATOM 0 HA LYS A 52 26.286 -12.476 -16.595 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.379 -12.979 -18.076 1.00 0.00 H new ATOM 0 HB3 LYS A 52 24.987 -11.872 -19.292 1.00 0.00 H new ATOM 0 HG2 LYS A 52 27.001 -13.245 -19.630 1.00 0.00 H new ATOM 0 HG3 LYS A 52 26.585 -14.275 -18.275 1.00 0.00 H new ATOM 0 HD2 LYS A 52 24.519 -15.027 -19.443 1.00 0.00 H new ATOM 0 HD3 LYS A 52 24.853 -13.941 -20.777 1.00 0.00 H new ATOM 0 HE2 LYS A 52 27.065 -15.137 -21.133 1.00 0.00 H new ATOM 0 HE3 LYS A 52 26.615 -16.274 -19.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 26.092 -17.124 -22.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 24.666 -16.884 -21.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 25.103 -15.783 -22.384 1.00 0.00 H new ATOM 271 N LYS A 53 27.334 -10.337 -18.913 1.00 0.00 N ATOM 272 CA LYS A 53 28.529 -9.782 -19.530 1.00 0.00 C ATOM 273 C LYS A 53 29.483 -9.252 -18.458 1.00 0.00 C ATOM 274 O LYS A 53 30.670 -9.572 -18.476 1.00 0.00 O ATOM 275 CB LYS A 53 28.120 -8.668 -20.506 1.00 0.00 C ATOM 276 CG LYS A 53 29.351 -8.115 -21.243 1.00 0.00 C ATOM 277 CD LYS A 53 29.893 -9.157 -22.238 1.00 0.00 C ATOM 278 CE LYS A 53 31.350 -9.502 -21.903 1.00 0.00 C ATOM 279 NZ LYS A 53 32.235 -8.339 -22.102 1.00 0.00 N ATOM 0 H LYS A 53 26.461 -9.945 -19.266 1.00 0.00 H new ATOM 0 HA LYS A 53 29.053 -10.561 -20.083 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.401 -9.055 -21.228 1.00 0.00 H new ATOM 0 HB3 LYS A 53 27.624 -7.864 -19.962 1.00 0.00 H new ATOM 0 HG2 LYS A 53 29.085 -7.200 -21.773 1.00 0.00 H new ATOM 0 HG3 LYS A 53 30.126 -7.852 -20.523 1.00 0.00 H new ATOM 0 HD2 LYS A 53 29.281 -10.058 -22.202 1.00 0.00 H new ATOM 0 HD3 LYS A 53 29.828 -8.768 -23.254 1.00 0.00 H new ATOM 0 HE2 LYS A 53 31.417 -9.840 -20.869 1.00 0.00 H new ATOM 0 HE3 LYS A 53 31.684 -10.328 -22.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 33.053 -8.412 -21.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 32.566 -8.319 -23.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 31.711 -7.465 -21.895 1.00 0.00 H new ATOM 293 N LEU A 54 28.968 -8.439 -17.530 1.00 0.00 N ATOM 294 CA LEU A 54 29.788 -7.862 -16.475 1.00 0.00 C ATOM 295 C LEU A 54 30.457 -8.970 -15.657 1.00 0.00 C ATOM 296 O LEU A 54 31.677 -8.996 -15.540 1.00 0.00 O ATOM 297 CB LEU A 54 28.919 -6.972 -15.575 1.00 0.00 C ATOM 298 CG LEU A 54 28.509 -5.692 -16.324 1.00 0.00 C ATOM 299 CD1 LEU A 54 27.380 -4.996 -15.560 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.707 -4.741 -16.435 1.00 0.00 C ATOM 0 H LEU A 54 27.985 -8.169 -17.493 1.00 0.00 H new ATOM 0 HA LEU A 54 30.572 -7.251 -16.923 1.00 0.00 H new ATOM 0 HB2 LEU A 54 28.030 -7.519 -15.262 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.468 -6.712 -14.670 1.00 0.00 H new ATOM 0 HG LEU A 54 28.169 -5.958 -17.325 1.00 0.00 H new ATOM 0 HD11 LEU A 54 27.088 -4.089 -16.089 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.523 -5.666 -15.488 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.724 -4.737 -14.559 1.00 0.00 H new ATOM 0 HD21 LEU A 54 29.407 -3.838 -16.967 1.00 0.00 H new ATOM 0 HD22 LEU A 54 30.055 -4.476 -15.437 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.512 -5.233 -16.981 1.00 0.00 H new ATOM 312 N VAL A 55 29.657 -9.880 -15.094 1.00 0.00 N ATOM 313 CA VAL A 55 30.173 -10.968 -14.269 1.00 0.00 C ATOM 314 C VAL A 55 31.252 -11.751 -15.022 1.00 0.00 C ATOM 315 O VAL A 55 32.320 -12.010 -14.475 1.00 0.00 O ATOM 316 CB VAL A 55 29.013 -11.886 -13.862 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.561 -13.163 -13.219 1.00 0.00 C ATOM 318 CG2 VAL A 55 28.118 -11.162 -12.854 1.00 0.00 C ATOM 0 H VAL A 55 28.642 -9.881 -15.198 1.00 0.00 H new ATOM 0 HA VAL A 55 30.632 -10.555 -13.371 1.00 0.00 H new ATOM 0 HB VAL A 55 28.436 -12.145 -14.750 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.732 -13.810 -12.932 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.199 -13.685 -13.932 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.142 -12.904 -12.334 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.294 -11.814 -12.565 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.701 -10.901 -11.971 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.720 -10.254 -13.307 1.00 0.00 H new ATOM 328 N GLU A 56 30.971 -12.128 -16.273 1.00 0.00 N ATOM 329 CA GLU A 56 31.914 -12.890 -17.081 1.00 0.00 C ATOM 330 C GLU A 56 33.198 -12.086 -17.309 1.00 0.00 C ATOM 331 O GLU A 56 34.273 -12.669 -17.435 1.00 0.00 O ATOM 332 CB GLU A 56 31.258 -13.261 -18.416 1.00 0.00 C ATOM 333 CG GLU A 56 30.219 -14.368 -18.189 1.00 0.00 C ATOM 334 CD GLU A 56 29.520 -14.752 -19.490 1.00 0.00 C ATOM 335 OE1 GLU A 56 29.410 -13.866 -20.366 1.00 0.00 O ATOM 336 OE2 GLU A 56 29.104 -15.928 -19.584 1.00 0.00 O ATOM 0 H GLU A 56 30.093 -11.914 -16.745 1.00 0.00 H new ATOM 0 HA GLU A 56 32.183 -13.805 -16.553 1.00 0.00 H new ATOM 0 HB2 GLU A 56 30.781 -12.385 -18.854 1.00 0.00 H new ATOM 0 HB3 GLU A 56 32.015 -13.599 -19.124 1.00 0.00 H new ATOM 0 HG2 GLU A 56 30.707 -15.245 -17.764 1.00 0.00 H new ATOM 0 HG3 GLU A 56 29.479 -14.031 -17.463 1.00 0.00 H new ATOM 343 N GLN A 57 33.091 -10.750 -17.364 1.00 0.00 N ATOM 344 CA GLN A 57 34.249 -9.896 -17.577 1.00 0.00 C ATOM 345 C GLN A 57 35.134 -9.900 -16.330 1.00 0.00 C ATOM 346 O GLN A 57 36.301 -10.281 -16.399 1.00 0.00 O ATOM 347 CB GLN A 57 33.786 -8.468 -17.910 1.00 0.00 C ATOM 348 CG GLN A 57 34.946 -7.663 -18.506 1.00 0.00 C ATOM 349 CD GLN A 57 35.384 -8.241 -19.850 1.00 0.00 C ATOM 350 OE1 GLN A 57 34.672 -8.112 -20.845 1.00 0.00 O ATOM 351 NE2 GLN A 57 36.553 -8.879 -19.878 1.00 0.00 N ATOM 0 H GLN A 57 32.210 -10.246 -17.263 1.00 0.00 H new ATOM 0 HA GLN A 57 34.832 -10.277 -18.415 1.00 0.00 H new ATOM 0 HB2 GLN A 57 32.956 -8.502 -18.616 1.00 0.00 H new ATOM 0 HB3 GLN A 57 33.418 -7.977 -17.009 1.00 0.00 H new ATOM 0 HG2 GLN A 57 34.643 -6.624 -18.635 1.00 0.00 H new ATOM 0 HG3 GLN A 57 35.788 -7.666 -17.814 1.00 0.00 H new ATOM 0 HE21 GLN A 57 37.110 -8.961 -19.027 1.00 0.00 H new ATOM 0 HE22 GLN A 57 36.891 -9.285 -20.750 1.00 0.00 H new ATOM 360 N ASN A 58 34.574 -9.463 -15.195 1.00 0.00 N ATOM 361 CA ASN A 58 35.311 -9.398 -13.934 1.00 0.00 C ATOM 362 C ASN A 58 35.143 -10.711 -13.165 1.00 0.00 C ATOM 363 O ASN A 58 36.007 -11.583 -13.238 1.00 0.00 O ATOM 364 CB ASN A 58 34.841 -8.187 -13.101 1.00 0.00 C ATOM 365 CG ASN A 58 33.376 -7.848 -13.364 1.00 0.00 C ATOM 366 OD1 ASN A 58 32.485 -8.419 -12.746 1.00 0.00 O ATOM 367 ND2 ASN A 58 33.133 -6.917 -14.290 1.00 0.00 N ATOM 0 H ASN A 58 33.606 -9.148 -15.128 1.00 0.00 H new ATOM 0 HA ASN A 58 36.372 -9.262 -14.142 1.00 0.00 H new ATOM 0 HB2 ASN A 58 34.979 -8.400 -12.041 1.00 0.00 H new ATOM 0 HB3 ASN A 58 35.461 -7.322 -13.336 1.00 0.00 H new ATOM 0 HD21 ASN A 58 32.172 -6.654 -14.509 1.00 0.00 H new ATOM 0 HD22 ASN A 58 33.908 -6.469 -14.779 1.00 0.00 H new ATOM 374 N GLY A 59 34.037 -10.851 -12.425 1.00 0.00 N ATOM 375 CA GLY A 59 33.776 -12.049 -11.643 1.00 0.00 C ATOM 376 C GLY A 59 32.667 -11.780 -10.632 1.00 0.00 C ATOM 377 O GLY A 59 32.109 -10.687 -10.599 1.00 0.00 O ATOM 0 H GLY A 59 33.309 -10.140 -12.356 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.488 -12.868 -12.302 1.00 0.00 H new ATOM 0 HA3 GLY A 59 34.683 -12.360 -11.126 1.00 0.00 H new ATOM 381 N THR A 60 32.351 -12.781 -9.804 1.00 0.00 N ATOM 382 CA THR A 60 31.311 -12.657 -8.789 1.00 0.00 C ATOM 383 C THR A 60 31.920 -12.172 -7.467 1.00 0.00 C ATOM 384 O THR A 60 31.442 -12.537 -6.393 1.00 0.00 O ATOM 385 CB THR A 60 30.634 -14.021 -8.608 1.00 0.00 C ATOM 386 OG1 THR A 60 31.612 -15.000 -8.323 1.00 0.00 O ATOM 387 CG2 THR A 60 29.893 -14.409 -9.890 1.00 0.00 C ATOM 0 H THR A 60 32.808 -13.693 -9.821 1.00 0.00 H new ATOM 0 HA THR A 60 30.568 -11.925 -9.105 1.00 0.00 H new ATOM 0 HB THR A 60 29.924 -13.959 -7.784 1.00 0.00 H new ATOM 0 HG1 THR A 60 31.178 -15.871 -8.206 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.415 -15.379 -9.754 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.135 -13.658 -10.113 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.601 -14.466 -10.716 1.00 0.00 H new ATOM 395 N ASP A 61 32.980 -11.352 -7.549 1.00 0.00 N ATOM 396 CA ASP A 61 33.664 -10.843 -6.369 1.00 0.00 C ATOM 397 C ASP A 61 33.035 -9.516 -5.926 1.00 0.00 C ATOM 398 O ASP A 61 32.120 -9.512 -5.101 1.00 0.00 O ATOM 399 CB ASP A 61 35.157 -10.686 -6.690 1.00 0.00 C ATOM 400 CG ASP A 61 35.914 -10.085 -5.513 1.00 0.00 C ATOM 401 OD1 ASP A 61 35.763 -10.634 -4.400 1.00 0.00 O ATOM 402 OD2 ASP A 61 36.629 -9.089 -5.750 1.00 0.00 O ATOM 0 H ASP A 61 33.378 -11.030 -8.432 1.00 0.00 H new ATOM 0 HA ASP A 61 33.559 -11.543 -5.540 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.582 -11.658 -6.941 1.00 0.00 H new ATOM 0 HB3 ASP A 61 35.278 -10.050 -7.567 1.00 0.00 H new ATOM 407 N ASP A 62 33.525 -8.391 -6.471 1.00 0.00 N ATOM 408 CA ASP A 62 33.014 -7.073 -6.118 1.00 0.00 C ATOM 409 C ASP A 62 31.645 -6.847 -6.759 1.00 0.00 C ATOM 410 O ASP A 62 31.542 -6.327 -7.873 1.00 0.00 O ATOM 411 CB ASP A 62 34.022 -5.989 -6.546 1.00 0.00 C ATOM 412 CG ASP A 62 34.471 -5.160 -5.348 1.00 0.00 C ATOM 413 OD1 ASP A 62 33.576 -4.566 -4.705 1.00 0.00 O ATOM 414 OD2 ASP A 62 35.695 -5.132 -5.099 1.00 0.00 O ATOM 0 H ASP A 62 34.277 -8.377 -7.160 1.00 0.00 H new ATOM 0 HA ASP A 62 32.888 -7.012 -5.037 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.888 -6.457 -7.015 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.567 -5.339 -7.293 1.00 0.00 H new ATOM 419 N TRP A 63 30.589 -7.235 -6.043 1.00 0.00 N ATOM 420 CA TRP A 63 29.228 -7.054 -6.514 1.00 0.00 C ATOM 421 C TRP A 63 28.841 -5.578 -6.442 1.00 0.00 C ATOM 422 O TRP A 63 27.969 -5.134 -7.182 1.00 0.00 O ATOM 423 CB TRP A 63 28.285 -7.909 -5.671 1.00 0.00 C ATOM 424 CG TRP A 63 28.219 -9.338 -6.087 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.545 -10.391 -5.323 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.804 -9.897 -7.365 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.376 -11.568 -6.013 1.00 0.00 N ATOM 428 CE2 TRP A 63 27.912 -11.321 -7.293 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.344 -9.350 -8.585 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.581 -12.150 -8.366 1.00 0.00 C ATOM 431 CZ3 TRP A 63 27.008 -10.184 -9.668 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.126 -11.580 -9.559 1.00 0.00 C ATOM 0 H TRP A 63 30.659 -7.680 -5.128 1.00 0.00 H new ATOM 0 HA TRP A 63 29.153 -7.371 -7.554 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.602 -7.860 -4.629 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.284 -7.481 -5.720 1.00 0.00 H new ATOM 0 HD1 TRP A 63 28.893 -10.323 -4.303 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.566 -12.496 -5.634 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.249 -8.279 -8.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 27.675 -13.222 -8.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.656 -9.747 -10.591 1.00 0.00 H new ATOM 0 HH2 TRP A 63 26.866 -12.212 -10.395 1.00 0.00 H new ATOM 443 N LYS A 64 29.494 -4.818 -5.556 1.00 0.00 N ATOM 444 CA LYS A 64 29.223 -3.399 -5.409 1.00 0.00 C ATOM 445 C LYS A 64 29.566 -2.672 -6.710 1.00 0.00 C ATOM 446 O LYS A 64 28.814 -1.807 -7.156 1.00 0.00 O ATOM 447 CB LYS A 64 30.046 -2.853 -4.234 1.00 0.00 C ATOM 448 CG LYS A 64 29.603 -1.424 -3.887 1.00 0.00 C ATOM 449 CD LYS A 64 30.545 -0.403 -4.540 1.00 0.00 C ATOM 450 CE LYS A 64 30.258 0.998 -3.988 1.00 0.00 C ATOM 451 NZ LYS A 64 28.886 1.431 -4.310 1.00 0.00 N ATOM 0 H LYS A 64 30.217 -5.173 -4.930 1.00 0.00 H new ATOM 0 HA LYS A 64 28.166 -3.236 -5.201 1.00 0.00 H new ATOM 0 HB2 LYS A 64 29.924 -3.499 -3.365 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.106 -2.860 -4.490 1.00 0.00 H new ATOM 0 HG2 LYS A 64 28.582 -1.259 -4.230 1.00 0.00 H new ATOM 0 HG3 LYS A 64 29.602 -1.289 -2.805 1.00 0.00 H new ATOM 0 HD2 LYS A 64 31.582 -0.675 -4.345 1.00 0.00 H new ATOM 0 HD3 LYS A 64 30.412 -0.412 -5.622 1.00 0.00 H new ATOM 0 HE2 LYS A 64 30.398 1.001 -2.907 1.00 0.00 H new ATOM 0 HE3 LYS A 64 30.973 1.708 -4.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 28.791 2.450 -4.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 28.689 1.243 -5.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 28.209 0.906 -3.720 1.00 0.00 H new ATOM 465 N VAL A 65 30.707 -3.028 -7.317 1.00 0.00 N ATOM 466 CA VAL A 65 31.155 -2.413 -8.561 1.00 0.00 C ATOM 467 C VAL A 65 30.169 -2.736 -9.685 1.00 0.00 C ATOM 468 O VAL A 65 29.811 -1.861 -10.471 1.00 0.00 O ATOM 469 CB VAL A 65 32.559 -2.937 -8.903 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.045 -2.305 -10.210 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.534 -2.582 -7.779 1.00 0.00 C ATOM 0 H VAL A 65 31.337 -3.746 -6.958 1.00 0.00 H new ATOM 0 HA VAL A 65 31.198 -1.330 -8.445 1.00 0.00 H new ATOM 0 HB VAL A 65 32.513 -4.020 -9.017 1.00 0.00 H new ATOM 0 HG11 VAL A 65 34.041 -2.680 -10.447 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.358 -2.563 -11.016 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.083 -1.221 -10.098 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.527 -2.956 -8.027 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.573 -1.499 -7.660 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.197 -3.037 -6.848 1.00 0.00 H new ATOM 481 N ILE A 66 29.735 -3.996 -9.758 1.00 0.00 N ATOM 482 CA ILE A 66 28.798 -4.434 -10.781 1.00 0.00 C ATOM 483 C ILE A 66 27.465 -3.704 -10.596 1.00 0.00 C ATOM 484 O ILE A 66 26.886 -3.210 -11.564 1.00 0.00 O ATOM 485 CB ILE A 66 28.635 -5.960 -10.688 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.983 -6.624 -11.020 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.567 -6.435 -11.681 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.990 -8.081 -10.569 1.00 0.00 C ATOM 0 H ILE A 66 30.023 -4.732 -9.113 1.00 0.00 H new ATOM 0 HA ILE A 66 29.172 -4.193 -11.776 1.00 0.00 H new ATOM 0 HB ILE A 66 28.323 -6.234 -9.680 1.00 0.00 H new ATOM 0 HG12 ILE A 66 30.167 -6.569 -12.093 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.792 -6.082 -10.530 1.00 0.00 H new ATOM 0 HG21 ILE A 66 27.458 -7.517 -11.608 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.615 -5.958 -11.447 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.868 -6.168 -12.694 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.952 -8.533 -10.813 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.829 -8.129 -9.492 1.00 0.00 H new ATOM 0 HD13 ILE A 66 29.194 -8.624 -11.080 1.00 0.00 H new ATOM 500 N ALA A 67 26.989 -3.628 -9.348 1.00 0.00 N ATOM 501 CA ALA A 67 25.748 -2.938 -9.027 1.00 0.00 C ATOM 502 C ALA A 67 25.868 -1.453 -9.378 1.00 0.00 C ATOM 503 O ALA A 67 24.890 -0.831 -9.777 1.00 0.00 O ATOM 504 CB ALA A 67 25.444 -3.117 -7.538 1.00 0.00 C ATOM 0 H ALA A 67 27.455 -4.043 -8.541 1.00 0.00 H new ATOM 0 HA ALA A 67 24.931 -3.361 -9.611 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.515 -2.602 -7.292 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.341 -4.178 -7.313 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.259 -2.698 -6.947 1.00 0.00 H new ATOM 510 N ASN A 68 27.075 -0.891 -9.229 1.00 0.00 N ATOM 511 CA ASN A 68 27.325 0.512 -9.540 1.00 0.00 C ATOM 512 C ASN A 68 26.959 0.813 -10.995 1.00 0.00 C ATOM 513 O ASN A 68 26.464 1.898 -11.295 1.00 0.00 O ATOM 514 CB ASN A 68 28.803 0.837 -9.281 1.00 0.00 C ATOM 515 CG ASN A 68 28.951 1.935 -8.238 1.00 0.00 C ATOM 516 OD1 ASN A 68 28.754 1.694 -7.049 1.00 0.00 O ATOM 517 ND2 ASN A 68 29.302 3.139 -8.680 1.00 0.00 N ATOM 0 H ASN A 68 27.895 -1.395 -8.892 1.00 0.00 H new ATOM 0 HA ASN A 68 26.703 1.136 -8.899 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.322 -0.060 -8.944 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.278 1.149 -10.211 1.00 0.00 H new ATOM 0 HD21 ASN A 68 29.418 3.910 -8.022 1.00 0.00 H new ATOM 0 HD22 ASN A 68 29.455 3.292 -9.677 1.00 0.00 H new ATOM 524 N TYR A 69 27.205 -0.146 -11.899 1.00 0.00 N ATOM 525 CA TYR A 69 26.911 0.034 -13.317 1.00 0.00 C ATOM 526 C TYR A 69 25.420 -0.184 -13.595 1.00 0.00 C ATOM 527 O TYR A 69 24.957 0.098 -14.699 1.00 0.00 O ATOM 528 CB TYR A 69 27.751 -0.948 -14.141 1.00 0.00 C ATOM 529 CG TYR A 69 29.238 -0.894 -13.844 1.00 0.00 C ATOM 530 CD1 TYR A 69 29.891 0.345 -13.690 1.00 0.00 C ATOM 531 CD2 TYR A 69 29.971 -2.089 -13.733 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.269 0.384 -13.422 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.350 -2.047 -13.470 1.00 0.00 C ATOM 534 CZ TYR A 69 31.998 -0.811 -13.312 1.00 0.00 C ATOM 535 OH TYR A 69 33.337 -0.773 -13.057 1.00 0.00 O ATOM 0 H TYR A 69 27.608 -1.054 -11.667 1.00 0.00 H new ATOM 0 HA TYR A 69 27.163 1.056 -13.602 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.391 -1.960 -13.957 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.595 -0.742 -15.200 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.332 1.265 -13.778 1.00 0.00 H new ATOM 0 HD2 TYR A 69 29.473 -3.040 -13.850 1.00 0.00 H new ATOM 0 HE1 TYR A 69 31.768 1.334 -13.300 1.00 0.00 H new ATOM 0 HE2 TYR A 69 31.912 -2.966 -13.389 1.00 0.00 H new ATOM 0 HH TYR A 69 33.687 -1.687 -13.011 1.00 0.00 H new ATOM 545 N LEU A 70 24.674 -0.684 -12.599 1.00 0.00 N ATOM 546 CA LEU A 70 23.247 -0.943 -12.740 1.00 0.00 C ATOM 547 C LEU A 70 22.487 -0.232 -11.613 1.00 0.00 C ATOM 548 O LEU A 70 22.136 -0.871 -10.622 1.00 0.00 O ATOM 549 CB LEU A 70 22.999 -2.459 -12.674 1.00 0.00 C ATOM 550 CG LEU A 70 23.689 -3.181 -13.844 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.687 -4.689 -13.577 1.00 0.00 C ATOM 552 CD2 LEU A 70 22.942 -2.901 -15.153 1.00 0.00 C ATOM 0 H LEU A 70 25.048 -0.917 -11.679 1.00 0.00 H new ATOM 0 HA LEU A 70 22.893 -0.565 -13.699 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.373 -2.852 -11.728 1.00 0.00 H new ATOM 0 HB3 LEU A 70 21.928 -2.657 -12.700 1.00 0.00 H new ATOM 0 HG LEU A 70 24.713 -2.818 -13.933 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.175 -5.205 -14.404 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.225 -4.895 -12.652 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.659 -5.041 -13.485 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.440 -3.417 -15.974 1.00 0.00 H new ATOM 0 HD22 LEU A 70 21.915 -3.258 -15.070 1.00 0.00 H new ATOM 0 HD23 LEU A 70 22.939 -1.829 -15.348 1.00 0.00 H new ATOM 564 N PRO A 71 22.230 1.093 -11.757 1.00 0.00 N ATOM 565 CA PRO A 71 21.520 1.875 -10.756 1.00 0.00 C ATOM 566 C PRO A 71 20.053 1.425 -10.669 1.00 0.00 C ATOM 567 O PRO A 71 19.155 2.105 -11.155 1.00 0.00 O ATOM 568 CB PRO A 71 21.656 3.337 -11.206 1.00 0.00 C ATOM 569 CG PRO A 71 22.197 3.305 -12.640 1.00 0.00 C ATOM 570 CD PRO A 71 22.639 1.866 -12.913 1.00 0.00 C ATOM 0 HA PRO A 71 21.930 1.743 -9.755 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.693 3.846 -11.166 1.00 0.00 H new ATOM 0 HB3 PRO A 71 22.332 3.883 -10.549 1.00 0.00 H new ATOM 0 HG2 PRO A 71 21.430 3.615 -13.350 1.00 0.00 H new ATOM 0 HG3 PRO A 71 23.034 3.995 -12.753 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.176 1.482 -13.822 1.00 0.00 H new ATOM 0 HD3 PRO A 71 23.718 1.811 -13.057 1.00 0.00 H new ATOM 578 N ASN A 72 19.842 0.262 -10.045 1.00 0.00 N ATOM 579 CA ASN A 72 18.528 -0.359 -9.878 1.00 0.00 C ATOM 580 C ASN A 72 18.725 -1.736 -9.249 1.00 0.00 C ATOM 581 O ASN A 72 17.911 -2.179 -8.438 1.00 0.00 O ATOM 582 CB ASN A 72 17.807 -0.502 -11.235 1.00 0.00 C ATOM 583 CG ASN A 72 16.466 0.231 -11.230 1.00 0.00 C ATOM 584 OD1 ASN A 72 15.424 -0.389 -11.040 1.00 0.00 O ATOM 585 ND2 ASN A 72 16.491 1.544 -11.440 1.00 0.00 N ATOM 0 H ASN A 72 20.598 -0.285 -9.633 1.00 0.00 H new ATOM 0 HA ASN A 72 17.910 0.270 -9.237 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.439 -0.104 -12.029 1.00 0.00 H new ATOM 0 HB3 ASN A 72 17.646 -1.557 -11.455 1.00 0.00 H new ATOM 0 HD21 ASN A 72 15.621 2.076 -11.447 1.00 0.00 H new ATOM 0 HD22 ASN A 72 17.380 2.019 -11.594 1.00 0.00 H new ATOM 592 N ARG A 73 19.819 -2.408 -9.637 1.00 0.00 N ATOM 593 CA ARG A 73 20.148 -3.732 -9.141 1.00 0.00 C ATOM 594 C ARG A 73 21.215 -3.600 -8.055 1.00 0.00 C ATOM 595 O ARG A 73 22.373 -3.322 -8.354 1.00 0.00 O ATOM 596 CB ARG A 73 20.653 -4.601 -10.307 1.00 0.00 C ATOM 597 CG ARG A 73 19.766 -4.419 -11.553 1.00 0.00 C ATOM 598 CD ARG A 73 18.324 -4.827 -11.245 1.00 0.00 C ATOM 599 NE ARG A 73 17.488 -4.727 -12.444 1.00 0.00 N ATOM 600 CZ ARG A 73 16.270 -5.285 -12.544 1.00 0.00 C ATOM 601 NH1 ARG A 73 15.750 -5.969 -11.515 1.00 0.00 N ATOM 602 NH2 ARG A 73 15.580 -5.153 -13.681 1.00 0.00 N ATOM 0 H ARG A 73 20.495 -2.039 -10.305 1.00 0.00 H new ATOM 0 HA ARG A 73 19.267 -4.210 -8.713 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.682 -4.333 -10.546 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.658 -5.649 -10.009 1.00 0.00 H new ATOM 0 HG2 ARG A 73 19.795 -3.379 -11.879 1.00 0.00 H new ATOM 0 HG3 ARG A 73 20.154 -5.022 -12.374 1.00 0.00 H new ATOM 0 HD2 ARG A 73 18.303 -5.849 -10.866 1.00 0.00 H new ATOM 0 HD3 ARG A 73 17.920 -4.188 -10.460 1.00 0.00 H new ATOM 0 HE ARG A 73 17.849 -4.207 -13.244 1.00 0.00 H new ATOM 0 HH11 ARG A 73 16.280 -6.068 -10.649 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.825 -6.390 -11.598 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.979 -4.633 -14.462 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.654 -5.573 -13.767 1.00 0.00 H new ATOM 616 N THR A 74 20.819 -3.791 -6.791 1.00 0.00 N ATOM 617 CA THR A 74 21.735 -3.666 -5.663 1.00 0.00 C ATOM 618 C THR A 74 22.671 -4.874 -5.600 1.00 0.00 C ATOM 619 O THR A 74 22.449 -5.869 -6.280 1.00 0.00 O ATOM 620 CB THR A 74 20.925 -3.539 -4.367 1.00 0.00 C ATOM 621 OG1 THR A 74 20.067 -4.652 -4.233 1.00 0.00 O ATOM 622 CG2 THR A 74 20.092 -2.255 -4.399 1.00 0.00 C ATOM 0 H THR A 74 19.864 -4.034 -6.528 1.00 0.00 H new ATOM 0 HA THR A 74 22.348 -2.774 -5.790 1.00 0.00 H new ATOM 0 HB THR A 74 21.610 -3.503 -3.520 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.552 -4.570 -3.404 1.00 0.00 H new ATOM 0 HG21 THR A 74 19.519 -2.170 -3.476 1.00 0.00 H new ATOM 0 HG22 THR A 74 20.754 -1.394 -4.496 1.00 0.00 H new ATOM 0 HG23 THR A 74 19.410 -2.285 -5.248 1.00 0.00 H new ATOM 630 N ASP A 75 23.719 -4.772 -4.770 1.00 0.00 N ATOM 631 CA ASP A 75 24.705 -5.836 -4.593 1.00 0.00 C ATOM 632 C ASP A 75 24.009 -7.179 -4.354 1.00 0.00 C ATOM 633 O ASP A 75 24.260 -8.147 -5.069 1.00 0.00 O ATOM 634 CB ASP A 75 25.599 -5.465 -3.399 1.00 0.00 C ATOM 635 CG ASP A 75 26.731 -6.464 -3.195 1.00 0.00 C ATOM 636 OD1 ASP A 75 26.414 -7.651 -2.960 1.00 0.00 O ATOM 637 OD2 ASP A 75 27.894 -6.016 -3.273 1.00 0.00 O ATOM 0 H ASP A 75 23.903 -3.944 -4.203 1.00 0.00 H new ATOM 0 HA ASP A 75 25.312 -5.938 -5.493 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.018 -4.471 -3.556 1.00 0.00 H new ATOM 0 HB3 ASP A 75 24.993 -5.416 -2.495 1.00 0.00 H new ATOM 642 N VAL A 76 23.138 -7.229 -3.340 1.00 0.00 N ATOM 643 CA VAL A 76 22.430 -8.449 -2.978 1.00 0.00 C ATOM 644 C VAL A 76 21.556 -8.935 -4.139 1.00 0.00 C ATOM 645 O VAL A 76 21.449 -10.138 -4.366 1.00 0.00 O ATOM 646 CB VAL A 76 21.578 -8.186 -1.725 1.00 0.00 C ATOM 647 CG1 VAL A 76 20.809 -9.456 -1.342 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.486 -7.776 -0.560 1.00 0.00 C ATOM 0 H VAL A 76 22.909 -6.426 -2.754 1.00 0.00 H new ATOM 0 HA VAL A 76 23.154 -9.234 -2.761 1.00 0.00 H new ATOM 0 HB VAL A 76 20.871 -7.384 -1.939 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.207 -9.263 -0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.157 -9.749 -2.165 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.515 -10.260 -1.135 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.879 -7.590 0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.196 -8.577 -0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.030 -6.869 -0.824 1.00 0.00 H new ATOM 658 N GLN A 77 20.926 -8.004 -4.869 1.00 0.00 N ATOM 659 CA GLN A 77 20.047 -8.360 -5.972 1.00 0.00 C ATOM 660 C GLN A 77 20.859 -8.997 -7.098 1.00 0.00 C ATOM 661 O GLN A 77 20.459 -10.019 -7.646 1.00 0.00 O ATOM 662 CB GLN A 77 19.313 -7.108 -6.460 1.00 0.00 C ATOM 663 CG GLN A 77 18.043 -7.514 -7.212 1.00 0.00 C ATOM 664 CD GLN A 77 17.380 -6.308 -7.872 1.00 0.00 C ATOM 665 OE1 GLN A 77 16.912 -6.400 -9.002 1.00 0.00 O ATOM 666 NE2 GLN A 77 17.339 -5.175 -7.168 1.00 0.00 N ATOM 0 H GLN A 77 21.014 -7.001 -4.709 1.00 0.00 H new ATOM 0 HA GLN A 77 19.307 -9.087 -5.637 1.00 0.00 H new ATOM 0 HB2 GLN A 77 19.058 -6.471 -5.613 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.963 -6.525 -7.113 1.00 0.00 H new ATOM 0 HG2 GLN A 77 18.289 -8.257 -7.971 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.343 -7.984 -6.521 1.00 0.00 H new ATOM 0 HE21 GLN A 77 17.740 -5.142 -6.231 1.00 0.00 H new ATOM 0 HE22 GLN A 77 16.906 -4.342 -7.567 1.00 0.00 H new ATOM 675 N CYS A 78 22.001 -8.390 -7.434 1.00 0.00 N ATOM 676 CA CYS A 78 22.879 -8.901 -8.475 1.00 0.00 C ATOM 677 C CYS A 78 23.396 -10.276 -8.070 1.00 0.00 C ATOM 678 O CYS A 78 23.353 -11.220 -8.860 1.00 0.00 O ATOM 679 CB CYS A 78 24.049 -7.933 -8.672 1.00 0.00 C ATOM 680 SG CYS A 78 23.422 -6.362 -9.312 1.00 0.00 S ATOM 0 H CYS A 78 22.336 -7.535 -6.991 1.00 0.00 H new ATOM 0 HA CYS A 78 22.330 -8.990 -9.412 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.567 -7.773 -7.726 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.775 -8.358 -9.365 1.00 0.00 H new ATOM 0 HG CYS A 78 22.895 -5.677 -8.341 1.00 0.00 H new ATOM 686 N GLN A 79 23.886 -10.376 -6.830 1.00 0.00 N ATOM 687 CA GLN A 79 24.421 -11.611 -6.291 1.00 0.00 C ATOM 688 C GLN A 79 23.388 -12.730 -6.407 1.00 0.00 C ATOM 689 O GLN A 79 23.651 -13.753 -7.035 1.00 0.00 O ATOM 690 CB GLN A 79 24.814 -11.371 -4.828 1.00 0.00 C ATOM 691 CG GLN A 79 25.498 -12.614 -4.251 1.00 0.00 C ATOM 692 CD GLN A 79 25.782 -12.449 -2.760 1.00 0.00 C ATOM 693 OE1 GLN A 79 25.592 -13.383 -1.987 1.00 0.00 O ATOM 694 NE2 GLN A 79 26.237 -11.261 -2.355 1.00 0.00 N ATOM 0 H GLN A 79 23.919 -9.594 -6.176 1.00 0.00 H new ATOM 0 HA GLN A 79 25.301 -11.918 -6.856 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.484 -10.514 -4.760 1.00 0.00 H new ATOM 0 HB3 GLN A 79 23.928 -11.130 -4.241 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.864 -13.487 -4.408 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.431 -12.798 -4.783 1.00 0.00 H new ATOM 0 HE21 GLN A 79 26.381 -10.512 -3.032 1.00 0.00 H new ATOM 0 HE22 GLN A 79 26.441 -11.102 -1.368 1.00 0.00 H new ATOM 703 N HIS A 80 22.216 -12.530 -5.797 1.00 0.00 N ATOM 704 CA HIS A 80 21.154 -13.524 -5.810 1.00 0.00 C ATOM 705 C HIS A 80 20.739 -13.854 -7.237 1.00 0.00 C ATOM 706 O HIS A 80 20.663 -15.022 -7.598 1.00 0.00 O ATOM 707 CB HIS A 80 19.952 -12.995 -5.024 1.00 0.00 C ATOM 708 CG HIS A 80 20.139 -13.087 -3.534 1.00 0.00 C ATOM 709 ND1 HIS A 80 19.229 -12.546 -2.636 1.00 0.00 N ATOM 710 CD2 HIS A 80 21.111 -13.659 -2.750 1.00 0.00 C ATOM 711 CE1 HIS A 80 19.693 -12.817 -1.402 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.841 -13.495 -1.400 1.00 0.00 N ATOM 0 H HIS A 80 21.984 -11.679 -5.285 1.00 0.00 H new ATOM 0 HA HIS A 80 21.523 -14.437 -5.343 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.774 -11.955 -5.299 1.00 0.00 H new ATOM 0 HB3 HIS A 80 19.063 -13.557 -5.309 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.978 -14.173 -3.137 1.00 0.00 H new ATOM 0 HE1 HIS A 80 19.184 -12.514 -0.499 1.00 0.00 H new ATOM 0 HE2 HIS A 80 21.387 -13.815 -0.600 1.00 0.00 H new ATOM 720 N ARG A 81 20.458 -12.829 -8.045 1.00 0.00 N ATOM 721 CA ARG A 81 20.005 -13.038 -9.407 1.00 0.00 C ATOM 722 C ARG A 81 20.956 -13.970 -10.150 1.00 0.00 C ATOM 723 O ARG A 81 20.515 -14.933 -10.759 1.00 0.00 O ATOM 724 CB ARG A 81 19.886 -11.693 -10.136 1.00 0.00 C ATOM 725 CG ARG A 81 19.461 -11.913 -11.600 1.00 0.00 C ATOM 726 CD ARG A 81 18.093 -12.606 -11.656 1.00 0.00 C ATOM 727 NE ARG A 81 17.575 -12.643 -13.029 1.00 0.00 N ATOM 728 CZ ARG A 81 16.431 -13.265 -13.362 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.709 -13.892 -12.422 1.00 0.00 N ATOM 730 NH2 ARG A 81 16.010 -13.259 -14.633 1.00 0.00 N ATOM 0 H ARG A 81 20.539 -11.849 -7.773 1.00 0.00 H new ATOM 0 HA ARG A 81 19.021 -13.507 -9.380 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.157 -11.061 -9.630 1.00 0.00 H new ATOM 0 HB3 ARG A 81 20.841 -11.168 -10.102 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.414 -10.956 -12.120 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.206 -12.520 -12.115 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.180 -13.621 -11.269 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.388 -12.079 -11.012 1.00 0.00 H new ATOM 0 HE ARG A 81 18.107 -12.176 -13.763 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.028 -13.897 -11.453 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.841 -14.364 -12.676 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.558 -12.782 -15.349 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.142 -13.731 -14.885 1.00 0.00 H new ATOM 744 N TRP A 82 22.257 -13.686 -10.116 1.00 0.00 N ATOM 745 CA TRP A 82 23.212 -14.494 -10.847 1.00 0.00 C ATOM 746 C TRP A 82 23.461 -15.838 -10.155 1.00 0.00 C ATOM 747 O TRP A 82 23.149 -16.887 -10.710 1.00 0.00 O ATOM 748 CB TRP A 82 24.529 -13.738 -11.014 1.00 0.00 C ATOM 749 CG TRP A 82 25.563 -14.532 -11.744 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.588 -15.189 -11.180 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.664 -14.814 -13.173 1.00 0.00 C ATOM 752 NE1 TRP A 82 27.316 -15.866 -12.124 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.787 -15.673 -13.385 1.00 0.00 C ATOM 754 CE3 TRP A 82 24.917 -14.447 -14.317 1.00 0.00 C ATOM 755 CZ2 TRP A 82 27.143 -16.142 -14.650 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.275 -14.924 -15.598 1.00 0.00 C ATOM 757 CH2 TRP A 82 26.382 -15.774 -15.759 1.00 0.00 C ATOM 0 H TRP A 82 22.664 -12.910 -9.594 1.00 0.00 H new ATOM 0 HA TRP A 82 22.788 -14.697 -11.830 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.344 -12.809 -11.553 1.00 0.00 H new ATOM 0 HB3 TRP A 82 24.914 -13.465 -10.031 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.810 -15.185 -10.123 1.00 0.00 H new ATOM 0 HE1 TRP A 82 28.138 -16.436 -11.922 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.063 -13.795 -14.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 28.002 -16.786 -14.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 24.693 -14.633 -16.460 1.00 0.00 H new ATOM 0 HH2 TRP A 82 26.643 -16.142 -16.740 1.00 0.00 H new ATOM 768 N GLN A 83 24.051 -15.800 -8.958 1.00 0.00 N ATOM 769 CA GLN A 83 24.463 -17.007 -8.246 1.00 0.00 C ATOM 770 C GLN A 83 23.293 -17.957 -7.975 1.00 0.00 C ATOM 771 O GLN A 83 23.482 -19.172 -7.992 1.00 0.00 O ATOM 772 CB GLN A 83 25.131 -16.609 -6.922 1.00 0.00 C ATOM 773 CG GLN A 83 26.398 -15.785 -7.198 1.00 0.00 C ATOM 774 CD GLN A 83 27.064 -15.301 -5.905 1.00 0.00 C ATOM 775 OE1 GLN A 83 27.992 -14.497 -5.954 1.00 0.00 O ATOM 776 NE2 GLN A 83 26.596 -15.783 -4.752 1.00 0.00 N ATOM 0 H GLN A 83 24.255 -14.934 -8.459 1.00 0.00 H new ATOM 0 HA GLN A 83 25.167 -17.543 -8.882 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.436 -16.029 -6.315 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.385 -17.502 -6.351 1.00 0.00 H new ATOM 0 HG2 GLN A 83 27.106 -16.389 -7.766 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.143 -14.925 -7.818 1.00 0.00 H new ATOM 0 HE21 GLN A 83 25.824 -16.449 -4.754 1.00 0.00 H new ATOM 0 HE22 GLN A 83 27.011 -15.485 -3.869 1.00 0.00 H new ATOM 785 N LYS A 84 22.099 -17.421 -7.699 1.00 0.00 N ATOM 786 CA LYS A 84 20.958 -18.249 -7.323 1.00 0.00 C ATOM 787 C LYS A 84 20.040 -18.573 -8.514 1.00 0.00 C ATOM 788 O LYS A 84 18.994 -19.191 -8.306 1.00 0.00 O ATOM 789 CB LYS A 84 20.165 -17.528 -6.225 1.00 0.00 C ATOM 790 CG LYS A 84 19.550 -18.555 -5.265 1.00 0.00 C ATOM 791 CD LYS A 84 18.353 -17.945 -4.515 1.00 0.00 C ATOM 792 CE LYS A 84 17.195 -17.617 -5.477 1.00 0.00 C ATOM 793 NZ LYS A 84 16.952 -18.709 -6.441 1.00 0.00 N ATOM 0 H LYS A 84 21.902 -16.421 -7.730 1.00 0.00 H new ATOM 0 HA LYS A 84 21.340 -19.202 -6.958 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.820 -16.851 -5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 84 19.379 -16.919 -6.672 1.00 0.00 H new ATOM 0 HG2 LYS A 84 19.227 -19.434 -5.822 1.00 0.00 H new ATOM 0 HG3 LYS A 84 20.302 -18.889 -4.550 1.00 0.00 H new ATOM 0 HD2 LYS A 84 18.007 -18.641 -3.751 1.00 0.00 H new ATOM 0 HD3 LYS A 84 18.668 -17.038 -4.000 1.00 0.00 H new ATOM 0 HE2 LYS A 84 16.287 -17.432 -4.902 1.00 0.00 H new ATOM 0 HE3 LYS A 84 17.422 -16.699 -6.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 16.034 -18.563 -6.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 17.706 -18.714 -7.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.945 -19.620 -5.939 1.00 0.00 H new ATOM 807 N VAL A 85 20.399 -18.170 -9.750 1.00 0.00 N ATOM 808 CA VAL A 85 19.548 -18.453 -10.913 1.00 0.00 C ATOM 809 C VAL A 85 20.397 -18.780 -12.148 1.00 0.00 C ATOM 810 O VAL A 85 20.266 -19.865 -12.711 1.00 0.00 O ATOM 811 CB VAL A 85 18.606 -17.262 -11.202 1.00 0.00 C ATOM 812 CG1 VAL A 85 17.450 -17.735 -12.088 1.00 0.00 C ATOM 813 CG2 VAL A 85 18.033 -16.682 -9.898 1.00 0.00 C ATOM 0 H VAL A 85 21.255 -17.658 -9.962 1.00 0.00 H new ATOM 0 HA VAL A 85 18.939 -19.326 -10.680 1.00 0.00 H new ATOM 0 HB VAL A 85 19.179 -16.485 -11.707 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.783 -16.898 -12.294 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.846 -18.123 -13.026 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.897 -18.522 -11.575 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.374 -15.846 -10.131 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.469 -17.453 -9.374 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.849 -16.335 -9.264 1.00 0.00 H new ATOM 823 N LEU A 86 21.254 -17.843 -12.581 1.00 0.00 N ATOM 824 CA LEU A 86 22.075 -18.042 -13.776 1.00 0.00 C ATOM 825 C LEU A 86 23.177 -19.067 -13.505 1.00 0.00 C ATOM 826 O LEU A 86 23.372 -19.508 -12.373 1.00 0.00 O ATOM 827 CB LEU A 86 22.716 -16.710 -14.214 1.00 0.00 C ATOM 828 CG LEU A 86 21.748 -15.825 -15.029 1.00 0.00 C ATOM 829 CD1 LEU A 86 21.175 -16.599 -16.220 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.615 -15.314 -14.143 1.00 0.00 C ATOM 0 H LEU A 86 21.393 -16.944 -12.120 1.00 0.00 H new ATOM 0 HA LEU A 86 21.429 -18.412 -14.572 1.00 0.00 H new ATOM 0 HB2 LEU A 86 23.047 -16.163 -13.331 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.604 -16.917 -14.812 1.00 0.00 H new ATOM 0 HG LEU A 86 22.310 -14.971 -15.408 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.496 -15.956 -16.779 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.989 -16.921 -16.870 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.632 -17.473 -15.859 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.943 -14.692 -14.734 1.00 0.00 H new ATOM 0 HD22 LEU A 86 20.062 -16.160 -13.735 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.030 -14.724 -13.326 1.00 0.00 H new