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 74 THR OG1 : rot -72:sc= 0.654 USER MOD Set 1.2: A 77 GLN : amide:sc= 1.06 K(o=1.7,f=-3.5!) USER MOD Set 2.1: A 57 GLN : amide:sc= 0.424 K(o=-0.29,f=-6.1!) USER MOD Set 2.2: A 58 ASN : amide:sc= -0.714 K(o=-0.29,f=-7.8!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0192 USER MOD Single : A 50 LYS NZ :NH3+ 177:sc= 0.775 (180deg=0.73) USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 1.31 (180deg=1.14) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 1.23 (180deg=1.23) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -141:sc= 1.07 (180deg=0.472) USER MOD Single : A 68 ASN : amide:sc= -0.46 K(o=-0.46,f=-1.4) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 1.85 K(o=1.8,f=-4.7!) USER MOD Single : A 78 CYS SG : rot 91:sc= 0.0441 USER MOD Single : A 79 GLN : amide:sc= -0.0483 X(o=-0.048,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.0431 X(o=-0.043,f=0) USER MOD Single : A 83 GLN : amide:sc= -0.0931 K(o=-0.093,f=-1.4) USER MOD Single : A 84 LYS NZ :NH3+ -168:sc=-0.00389 (180deg=-0.172) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.173 -8.290 -13.031 1.00 0.00 N ATOM 90 CA TRP A 43 14.283 -8.445 -13.962 1.00 0.00 C ATOM 91 C TRP A 43 13.758 -8.732 -15.366 1.00 0.00 C ATOM 92 O TRP A 43 12.568 -8.991 -15.550 1.00 0.00 O ATOM 93 CB TRP A 43 15.174 -9.591 -13.478 1.00 0.00 C ATOM 94 CG TRP A 43 16.099 -9.223 -12.364 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.791 -9.199 -11.056 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.493 -8.812 -12.440 1.00 0.00 C ATOM 97 NE1 TRP A 43 16.872 -8.806 -10.304 1.00 0.00 N ATOM 98 CE2 TRP A 43 17.963 -8.551 -11.114 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.415 -8.632 -13.493 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.270 -8.131 -10.854 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.734 -8.203 -13.237 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.158 -7.951 -11.921 1.00 0.00 C ATOM 0 HA TRP A 43 14.864 -7.523 -14.001 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.540 -10.415 -13.151 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.764 -9.957 -14.318 1.00 0.00 H new ATOM 0 HD1 TRP A 43 14.823 -9.454 -10.650 1.00 0.00 H new ATOM 0 HE1 TRP A 43 16.870 -8.715 -9.288 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.106 -8.826 -14.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.592 -7.947 -9.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.423 -8.067 -14.058 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.168 -7.619 -11.733 1.00 0.00 H new ATOM 113 N THR A 44 14.657 -8.689 -16.356 1.00 0.00 N ATOM 114 CA THR A 44 14.311 -8.962 -17.740 1.00 0.00 C ATOM 115 C THR A 44 15.549 -9.483 -18.473 1.00 0.00 C ATOM 116 O THR A 44 16.674 -9.292 -18.009 1.00 0.00 O ATOM 117 CB THR A 44 13.747 -7.692 -18.401 1.00 0.00 C ATOM 118 OG1 THR A 44 13.412 -7.969 -19.746 1.00 0.00 O ATOM 119 CG2 THR A 44 14.777 -6.560 -18.359 1.00 0.00 C ATOM 0 H THR A 44 15.641 -8.464 -16.212 1.00 0.00 H new ATOM 0 HA THR A 44 13.537 -9.727 -17.790 1.00 0.00 H new ATOM 0 HB THR A 44 12.858 -7.380 -17.853 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.051 -7.161 -20.166 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.360 -5.671 -18.831 1.00 0.00 H new ATOM 0 HG22 THR A 44 15.029 -6.336 -17.323 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.676 -6.866 -18.893 1.00 0.00 H new ATOM 127 N ARG A 45 15.327 -10.152 -19.613 1.00 0.00 N ATOM 128 CA ARG A 45 16.397 -10.756 -20.399 1.00 0.00 C ATOM 129 C ARG A 45 17.521 -9.754 -20.678 1.00 0.00 C ATOM 130 O ARG A 45 18.693 -10.110 -20.604 1.00 0.00 O ATOM 131 CB ARG A 45 15.807 -11.285 -21.711 1.00 0.00 C ATOM 132 CG ARG A 45 16.846 -12.147 -22.439 1.00 0.00 C ATOM 133 CD ARG A 45 16.241 -12.708 -23.731 1.00 0.00 C ATOM 134 NE ARG A 45 15.079 -13.566 -23.451 1.00 0.00 N ATOM 135 CZ ARG A 45 15.182 -14.832 -23.001 1.00 0.00 C ATOM 136 NH1 ARG A 45 16.386 -15.382 -22.791 1.00 0.00 N ATOM 137 NH2 ARG A 45 14.073 -15.544 -22.762 1.00 0.00 N ATOM 0 H ARG A 45 14.398 -10.286 -20.011 1.00 0.00 H new ATOM 0 HA ARG A 45 16.834 -11.578 -19.832 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.912 -11.873 -21.507 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.503 -10.452 -22.345 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.729 -11.551 -22.669 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.171 -12.964 -21.794 1.00 0.00 H new ATOM 0 HD2 ARG A 45 15.940 -11.886 -24.381 1.00 0.00 H new ATOM 0 HD3 ARG A 45 16.996 -13.280 -24.270 1.00 0.00 H new ATOM 0 HE ARG A 45 14.147 -13.182 -23.606 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.232 -14.842 -22.972 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.456 -16.341 -22.450 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.156 -15.128 -22.921 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.146 -16.503 -22.421 1.00 0.00 H new ATOM 151 N GLU A 46 17.164 -8.507 -21.003 1.00 0.00 N ATOM 152 CA GLU A 46 18.149 -7.478 -21.307 1.00 0.00 C ATOM 153 C GLU A 46 19.107 -7.304 -20.125 1.00 0.00 C ATOM 154 O GLU A 46 20.325 -7.412 -20.288 1.00 0.00 O ATOM 155 CB GLU A 46 17.420 -6.164 -21.637 1.00 0.00 C ATOM 156 CG GLU A 46 18.423 -5.109 -22.144 1.00 0.00 C ATOM 157 CD GLU A 46 18.731 -4.044 -21.089 1.00 0.00 C ATOM 158 OE1 GLU A 46 18.542 -4.341 -19.889 1.00 0.00 O ATOM 159 OE2 GLU A 46 19.162 -2.945 -21.501 1.00 0.00 O ATOM 0 H GLU A 46 16.196 -8.191 -21.061 1.00 0.00 H new ATOM 0 HA GLU A 46 18.742 -7.773 -22.173 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.657 -6.344 -22.394 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.907 -5.792 -20.750 1.00 0.00 H new ATOM 0 HG2 GLU A 46 19.349 -5.603 -22.439 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.021 -4.628 -23.036 1.00 0.00 H new ATOM 166 N GLU A 47 18.553 -7.034 -18.938 1.00 0.00 N ATOM 167 CA GLU A 47 19.347 -6.813 -17.740 1.00 0.00 C ATOM 168 C GLU A 47 20.148 -8.070 -17.398 1.00 0.00 C ATOM 169 O GLU A 47 21.293 -7.970 -16.972 1.00 0.00 O ATOM 170 CB GLU A 47 18.424 -6.421 -16.578 1.00 0.00 C ATOM 171 CG GLU A 47 18.791 -5.023 -16.071 1.00 0.00 C ATOM 172 CD GLU A 47 17.858 -4.583 -14.948 1.00 0.00 C ATOM 173 OE1 GLU A 47 16.685 -5.028 -14.968 1.00 0.00 O ATOM 174 OE2 GLU A 47 18.330 -3.809 -14.087 1.00 0.00 O ATOM 0 H GLU A 47 17.546 -6.964 -18.788 1.00 0.00 H new ATOM 0 HA GLU A 47 20.052 -6.001 -17.917 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.385 -6.437 -16.906 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.515 -7.146 -15.769 1.00 0.00 H new ATOM 0 HG2 GLU A 47 19.821 -5.021 -15.714 1.00 0.00 H new ATOM 0 HG3 GLU A 47 18.737 -4.309 -16.893 1.00 0.00 H new ATOM 181 N ASP A 48 19.545 -9.254 -17.585 1.00 0.00 N ATOM 182 CA ASP A 48 20.221 -10.515 -17.301 1.00 0.00 C ATOM 183 C ASP A 48 21.460 -10.649 -18.186 1.00 0.00 C ATOM 184 O ASP A 48 22.525 -11.029 -17.703 1.00 0.00 O ATOM 185 CB ASP A 48 19.261 -11.687 -17.537 1.00 0.00 C ATOM 186 CG ASP A 48 18.151 -11.719 -16.491 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.457 -11.412 -15.320 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.011 -12.057 -16.878 1.00 0.00 O ATOM 0 H ASP A 48 18.591 -9.357 -17.932 1.00 0.00 H new ATOM 0 HA ASP A 48 20.535 -10.529 -16.257 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.823 -11.605 -18.532 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.816 -12.625 -17.509 1.00 0.00 H new ATOM 193 N GLU A 49 21.324 -10.334 -19.481 1.00 0.00 N ATOM 194 CA GLU A 49 22.440 -10.410 -20.412 1.00 0.00 C ATOM 195 C GLU A 49 23.546 -9.464 -19.948 1.00 0.00 C ATOM 196 O GLU A 49 24.704 -9.862 -19.861 1.00 0.00 O ATOM 197 CB GLU A 49 21.959 -10.049 -21.827 1.00 0.00 C ATOM 198 CG GLU A 49 22.887 -10.673 -22.882 1.00 0.00 C ATOM 199 CD GLU A 49 24.278 -10.044 -22.859 1.00 0.00 C ATOM 200 OE1 GLU A 49 24.345 -8.800 -22.979 1.00 0.00 O ATOM 201 OE2 GLU A 49 25.253 -10.820 -22.725 1.00 0.00 O ATOM 0 H GLU A 49 20.448 -10.024 -19.901 1.00 0.00 H new ATOM 0 HA GLU A 49 22.838 -11.424 -20.438 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.939 -10.405 -21.974 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.938 -8.966 -21.946 1.00 0.00 H new ATOM 0 HG2 GLU A 49 22.970 -11.745 -22.704 1.00 0.00 H new ATOM 0 HG3 GLU A 49 22.448 -10.547 -23.872 1.00 0.00 H new ATOM 208 N LYS A 50 23.182 -8.211 -19.644 1.00 0.00 N ATOM 209 CA LYS A 50 24.140 -7.217 -19.180 1.00 0.00 C ATOM 210 C LYS A 50 24.843 -7.713 -17.914 1.00 0.00 C ATOM 211 O LYS A 50 26.060 -7.599 -17.800 1.00 0.00 O ATOM 212 CB LYS A 50 23.411 -5.894 -18.919 1.00 0.00 C ATOM 213 CG LYS A 50 23.182 -5.162 -20.248 1.00 0.00 C ATOM 214 CD LYS A 50 21.837 -4.428 -20.228 1.00 0.00 C ATOM 215 CE LYS A 50 21.833 -3.337 -19.154 1.00 0.00 C ATOM 216 NZ LYS A 50 20.520 -2.668 -19.101 1.00 0.00 N ATOM 0 H LYS A 50 22.224 -7.867 -19.714 1.00 0.00 H new ATOM 0 HA LYS A 50 24.900 -7.055 -19.945 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.457 -6.084 -18.428 1.00 0.00 H new ATOM 0 HB3 LYS A 50 23.998 -5.270 -18.245 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.989 -4.451 -20.423 1.00 0.00 H new ATOM 0 HG3 LYS A 50 23.202 -5.875 -21.072 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.644 -3.985 -21.205 1.00 0.00 H new ATOM 0 HD3 LYS A 50 21.032 -5.138 -20.036 1.00 0.00 H new ATOM 0 HE2 LYS A 50 22.064 -3.774 -18.183 1.00 0.00 H new ATOM 0 HE3 LYS A 50 22.612 -2.605 -19.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.519 -1.966 -18.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.337 -2.191 -20.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.777 -3.374 -18.925 1.00 0.00 H new ATOM 230 N LEU A 51 24.077 -8.268 -16.968 1.00 0.00 N ATOM 231 CA LEU A 51 24.634 -8.781 -15.726 1.00 0.00 C ATOM 232 C LEU A 51 25.667 -9.861 -16.044 1.00 0.00 C ATOM 233 O LEU A 51 26.791 -9.812 -15.552 1.00 0.00 O ATOM 234 CB LEU A 51 23.498 -9.338 -14.855 1.00 0.00 C ATOM 235 CG LEU A 51 24.019 -9.709 -13.458 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.255 -8.439 -12.635 1.00 0.00 C ATOM 237 CD2 LEU A 51 22.984 -10.586 -12.748 1.00 0.00 C ATOM 0 H LEU A 51 23.065 -8.370 -17.046 1.00 0.00 H new ATOM 0 HA LEU A 51 25.131 -7.983 -15.175 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.703 -8.597 -14.768 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.064 -10.217 -15.332 1.00 0.00 H new ATOM 0 HG LEU A 51 24.959 -10.252 -13.558 1.00 0.00 H new ATOM 0 HD11 LEU A 51 24.624 -8.710 -11.646 1.00 0.00 H new ATOM 0 HD12 LEU A 51 24.991 -7.811 -13.138 1.00 0.00 H new ATOM 0 HD13 LEU A 51 23.318 -7.891 -12.535 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.351 -10.851 -11.756 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.046 -10.038 -12.654 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.817 -11.494 -13.328 1.00 0.00 H new ATOM 249 N LYS A 52 25.277 -10.829 -16.877 1.00 0.00 N ATOM 250 CA LYS A 52 26.157 -11.911 -17.287 1.00 0.00 C ATOM 251 C LYS A 52 27.425 -11.329 -17.918 1.00 0.00 C ATOM 252 O LYS A 52 28.530 -11.763 -17.611 1.00 0.00 O ATOM 253 CB LYS A 52 25.394 -12.804 -18.282 1.00 0.00 C ATOM 254 CG LYS A 52 26.100 -14.162 -18.464 1.00 0.00 C ATOM 255 CD LYS A 52 27.163 -14.102 -19.572 1.00 0.00 C ATOM 256 CE LYS A 52 26.535 -13.708 -20.919 1.00 0.00 C ATOM 257 NZ LYS A 52 26.941 -12.345 -21.311 1.00 0.00 N ATOM 0 H LYS A 52 24.342 -10.879 -17.282 1.00 0.00 H new ATOM 0 HA LYS A 52 26.459 -12.512 -16.429 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.377 -12.965 -17.925 1.00 0.00 H new ATOM 0 HB3 LYS A 52 25.318 -12.298 -19.245 1.00 0.00 H new ATOM 0 HG2 LYS A 52 26.568 -14.458 -17.525 1.00 0.00 H new ATOM 0 HG3 LYS A 52 25.362 -14.927 -18.707 1.00 0.00 H new ATOM 0 HD2 LYS A 52 27.934 -13.381 -19.302 1.00 0.00 H new ATOM 0 HD3 LYS A 52 27.652 -15.072 -19.665 1.00 0.00 H new ATOM 0 HE2 LYS A 52 26.840 -14.418 -21.688 1.00 0.00 H new ATOM 0 HE3 LYS A 52 25.449 -13.762 -20.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 26.439 -12.069 -22.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 26.704 -11.679 -20.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 27.966 -12.324 -21.483 1.00 0.00 H new ATOM 271 N LYS A 53 27.253 -10.344 -18.805 1.00 0.00 N ATOM 272 CA LYS A 53 28.364 -9.714 -19.501 1.00 0.00 C ATOM 273 C LYS A 53 29.339 -9.096 -18.499 1.00 0.00 C ATOM 274 O LYS A 53 30.553 -9.220 -18.656 1.00 0.00 O ATOM 275 CB LYS A 53 27.804 -8.655 -20.458 1.00 0.00 C ATOM 276 CG LYS A 53 28.836 -8.312 -21.542 1.00 0.00 C ATOM 277 CD LYS A 53 28.126 -8.145 -22.891 1.00 0.00 C ATOM 278 CE LYS A 53 27.198 -6.924 -22.852 1.00 0.00 C ATOM 279 NZ LYS A 53 26.165 -7.013 -23.899 1.00 0.00 N ATOM 0 H LYS A 53 26.339 -9.966 -19.056 1.00 0.00 H new ATOM 0 HA LYS A 53 28.916 -10.458 -20.074 1.00 0.00 H new ATOM 0 HB2 LYS A 53 26.889 -9.023 -20.922 1.00 0.00 H new ATOM 0 HB3 LYS A 53 27.540 -7.756 -19.901 1.00 0.00 H new ATOM 0 HG2 LYS A 53 29.362 -7.394 -21.280 1.00 0.00 H new ATOM 0 HG3 LYS A 53 29.585 -9.101 -21.609 1.00 0.00 H new ATOM 0 HD2 LYS A 53 28.862 -8.026 -23.686 1.00 0.00 H new ATOM 0 HD3 LYS A 53 27.550 -9.042 -23.121 1.00 0.00 H new ATOM 0 HE2 LYS A 53 26.724 -6.854 -21.873 1.00 0.00 H new ATOM 0 HE3 LYS A 53 27.782 -6.014 -22.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 25.550 -6.176 -23.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 26.620 -7.056 -24.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 25.595 -7.870 -23.752 1.00 0.00 H new ATOM 293 N LEU A 54 28.812 -8.433 -17.465 1.00 0.00 N ATOM 294 CA LEU A 54 29.648 -7.823 -16.444 1.00 0.00 C ATOM 295 C LEU A 54 30.348 -8.914 -15.633 1.00 0.00 C ATOM 296 O LEU A 54 31.513 -8.765 -15.283 1.00 0.00 O ATOM 297 CB LEU A 54 28.796 -6.924 -15.544 1.00 0.00 C ATOM 298 CG LEU A 54 28.338 -5.678 -16.321 1.00 0.00 C ATOM 299 CD1 LEU A 54 27.347 -4.883 -15.468 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.545 -4.794 -16.659 1.00 0.00 C ATOM 0 H LEU A 54 27.810 -8.309 -17.319 1.00 0.00 H new ATOM 0 HA LEU A 54 30.412 -7.204 -16.915 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.928 -7.476 -15.183 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.371 -6.624 -14.668 1.00 0.00 H new ATOM 0 HG LEU A 54 27.857 -5.992 -17.247 1.00 0.00 H new ATOM 0 HD11 LEU A 54 27.021 -4.000 -16.017 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.483 -5.506 -15.238 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.830 -4.576 -14.540 1.00 0.00 H new ATOM 0 HD21 LEU A 54 29.209 -3.915 -17.209 1.00 0.00 H new ATOM 0 HD22 LEU A 54 30.036 -4.480 -15.738 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.249 -5.358 -17.271 1.00 0.00 H new ATOM 312 N VAL A 55 29.648 -10.018 -15.344 1.00 0.00 N ATOM 313 CA VAL A 55 30.246 -11.128 -14.615 1.00 0.00 C ATOM 314 C VAL A 55 31.437 -11.667 -15.416 1.00 0.00 C ATOM 315 O VAL A 55 32.486 -11.954 -14.845 1.00 0.00 O ATOM 316 CB VAL A 55 29.189 -12.218 -14.361 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.872 -13.525 -13.943 1.00 0.00 C ATOM 318 CG2 VAL A 55 28.245 -11.764 -13.243 1.00 0.00 C ATOM 0 H VAL A 55 28.672 -10.160 -15.605 1.00 0.00 H new ATOM 0 HA VAL A 55 30.609 -10.791 -13.644 1.00 0.00 H new ATOM 0 HB VAL A 55 28.624 -12.384 -15.278 1.00 0.00 H new ATOM 0 HG11 VAL A 55 29.116 -14.290 -13.766 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.543 -13.855 -14.736 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.444 -13.361 -13.029 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.497 -12.536 -13.063 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.817 -11.593 -12.331 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.749 -10.839 -13.539 1.00 0.00 H new ATOM 328 N GLU A 56 31.277 -11.791 -16.742 1.00 0.00 N ATOM 329 CA GLU A 56 32.354 -12.254 -17.611 1.00 0.00 C ATOM 330 C GLU A 56 33.521 -11.262 -17.560 1.00 0.00 C ATOM 331 O GLU A 56 34.681 -11.668 -17.590 1.00 0.00 O ATOM 332 CB GLU A 56 31.836 -12.393 -19.050 1.00 0.00 C ATOM 333 CG GLU A 56 30.909 -13.608 -19.163 1.00 0.00 C ATOM 334 CD GLU A 56 30.291 -13.697 -20.557 1.00 0.00 C ATOM 335 OE1 GLU A 56 29.643 -12.702 -20.963 1.00 0.00 O ATOM 336 OE2 GLU A 56 30.471 -14.757 -21.191 1.00 0.00 O ATOM 0 H GLU A 56 30.408 -11.575 -17.231 1.00 0.00 H new ATOM 0 HA GLU A 56 32.704 -13.228 -17.268 1.00 0.00 H new ATOM 0 HB2 GLU A 56 31.300 -11.489 -19.340 1.00 0.00 H new ATOM 0 HB3 GLU A 56 32.675 -12.501 -19.738 1.00 0.00 H new ATOM 0 HG2 GLU A 56 31.469 -14.519 -18.951 1.00 0.00 H new ATOM 0 HG3 GLU A 56 30.119 -13.538 -18.415 1.00 0.00 H new ATOM 343 N GLN A 57 33.206 -9.960 -17.485 1.00 0.00 N ATOM 344 CA GLN A 57 34.217 -8.912 -17.440 1.00 0.00 C ATOM 345 C GLN A 57 35.051 -9.030 -16.161 1.00 0.00 C ATOM 346 O GLN A 57 36.237 -9.345 -16.220 1.00 0.00 O ATOM 347 CB GLN A 57 33.521 -7.542 -17.510 1.00 0.00 C ATOM 348 CG GLN A 57 34.558 -6.415 -17.564 1.00 0.00 C ATOM 349 CD GLN A 57 33.953 -5.110 -17.058 1.00 0.00 C ATOM 350 OE1 GLN A 57 34.096 -4.772 -15.884 1.00 0.00 O ATOM 351 NE2 GLN A 57 33.274 -4.381 -17.941 1.00 0.00 N ATOM 0 H GLN A 57 32.247 -9.613 -17.454 1.00 0.00 H new ATOM 0 HA GLN A 57 34.891 -9.018 -18.290 1.00 0.00 H new ATOM 0 HB2 GLN A 57 32.881 -7.497 -18.391 1.00 0.00 H new ATOM 0 HB3 GLN A 57 32.877 -7.410 -16.641 1.00 0.00 H new ATOM 0 HG2 GLN A 57 35.424 -6.680 -16.958 1.00 0.00 H new ATOM 0 HG3 GLN A 57 34.912 -6.287 -18.587 1.00 0.00 H new ATOM 0 HE21 GLN A 57 33.182 -4.702 -18.905 1.00 0.00 H new ATOM 0 HE22 GLN A 57 32.846 -3.501 -17.654 1.00 0.00 H new ATOM 360 N ASN A 58 34.426 -8.756 -15.009 1.00 0.00 N ATOM 361 CA ASN A 58 35.114 -8.777 -13.721 1.00 0.00 C ATOM 362 C ASN A 58 35.026 -10.170 -13.095 1.00 0.00 C ATOM 363 O ASN A 58 36.001 -10.918 -13.120 1.00 0.00 O ATOM 364 CB ASN A 58 34.525 -7.701 -12.786 1.00 0.00 C ATOM 365 CG ASN A 58 33.044 -7.466 -13.053 1.00 0.00 C ATOM 366 OD1 ASN A 58 32.200 -8.157 -12.500 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.734 -6.488 -13.910 1.00 0.00 N ATOM 0 H ASN A 58 33.437 -8.516 -14.948 1.00 0.00 H new ATOM 0 HA ASN A 58 36.168 -8.547 -13.876 1.00 0.00 H new ATOM 0 HB2 ASN A 58 34.663 -8.006 -11.749 1.00 0.00 H new ATOM 0 HB3 ASN A 58 35.071 -6.767 -12.919 1.00 0.00 H new ATOM 0 HD21 ASN A 58 31.757 -6.291 -14.128 1.00 0.00 H new ATOM 0 HD22 ASN A 58 33.474 -5.939 -14.346 1.00 0.00 H new ATOM 374 N GLY A 59 33.866 -10.518 -12.525 1.00 0.00 N ATOM 375 CA GLY A 59 33.684 -11.809 -11.881 1.00 0.00 C ATOM 376 C GLY A 59 32.476 -11.770 -10.951 1.00 0.00 C ATOM 377 O GLY A 59 31.465 -11.149 -11.271 1.00 0.00 O ATOM 0 H GLY A 59 33.042 -9.917 -12.501 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.546 -12.583 -12.636 1.00 0.00 H new ATOM 0 HA3 GLY A 59 34.579 -12.071 -11.316 1.00 0.00 H new ATOM 381 N THR A 60 32.589 -12.440 -9.796 1.00 0.00 N ATOM 382 CA THR A 60 31.514 -12.496 -8.810 1.00 0.00 C ATOM 383 C THR A 60 32.089 -12.276 -7.406 1.00 0.00 C ATOM 384 O THR A 60 31.595 -12.848 -6.435 1.00 0.00 O ATOM 385 CB THR A 60 30.816 -13.863 -8.903 1.00 0.00 C ATOM 386 OG1 THR A 60 31.766 -14.896 -8.740 1.00 0.00 O ATOM 387 CG2 THR A 60 30.139 -14.015 -10.267 1.00 0.00 C ATOM 0 H THR A 60 33.427 -12.955 -9.525 1.00 0.00 H new ATOM 0 HA THR A 60 30.784 -11.711 -9.010 1.00 0.00 H new ATOM 0 HB THR A 60 30.064 -13.927 -8.116 1.00 0.00 H new ATOM 0 HG1 THR A 60 31.317 -15.765 -8.798 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.648 -14.986 -10.323 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.398 -13.226 -10.396 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.888 -13.941 -11.055 1.00 0.00 H new ATOM 395 N ASP A 61 33.140 -11.450 -7.308 1.00 0.00 N ATOM 396 CA ASP A 61 33.803 -11.182 -6.040 1.00 0.00 C ATOM 397 C ASP A 61 33.173 -9.969 -5.341 1.00 0.00 C ATOM 398 O ASP A 61 32.384 -10.130 -4.414 1.00 0.00 O ATOM 399 CB ASP A 61 35.297 -10.961 -6.302 1.00 0.00 C ATOM 400 CG ASP A 61 36.034 -10.630 -5.011 1.00 0.00 C ATOM 401 OD1 ASP A 61 36.053 -11.513 -4.127 1.00 0.00 O ATOM 402 OD2 ASP A 61 36.563 -9.502 -4.934 1.00 0.00 O ATOM 0 H ASP A 61 33.546 -10.956 -8.103 1.00 0.00 H new ATOM 0 HA ASP A 61 33.679 -12.035 -5.373 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.727 -11.856 -6.752 1.00 0.00 H new ATOM 0 HB3 ASP A 61 35.428 -10.150 -7.018 1.00 0.00 H new ATOM 407 N ASP A 62 33.538 -8.758 -5.785 1.00 0.00 N ATOM 408 CA ASP A 62 33.057 -7.520 -5.178 1.00 0.00 C ATOM 409 C ASP A 62 31.551 -7.346 -5.343 1.00 0.00 C ATOM 410 O ASP A 62 30.866 -7.037 -4.373 1.00 0.00 O ATOM 411 CB ASP A 62 33.786 -6.322 -5.812 1.00 0.00 C ATOM 412 CG ASP A 62 34.511 -5.496 -4.758 1.00 0.00 C ATOM 413 OD1 ASP A 62 33.810 -4.709 -4.080 1.00 0.00 O ATOM 414 OD2 ASP A 62 35.742 -5.658 -4.649 1.00 0.00 O ATOM 0 H ASP A 62 34.172 -8.615 -6.571 1.00 0.00 H new ATOM 0 HA ASP A 62 33.268 -7.571 -4.110 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.501 -6.679 -6.553 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.068 -5.694 -6.339 1.00 0.00 H new ATOM 419 N TRP A 63 31.057 -7.508 -6.584 1.00 0.00 N ATOM 420 CA TRP A 63 29.648 -7.283 -6.950 1.00 0.00 C ATOM 421 C TRP A 63 29.300 -5.787 -6.889 1.00 0.00 C ATOM 422 O TRP A 63 28.400 -5.336 -7.594 1.00 0.00 O ATOM 423 CB TRP A 63 28.697 -8.114 -6.080 1.00 0.00 C ATOM 424 CG TRP A 63 28.632 -9.552 -6.464 1.00 0.00 C ATOM 425 CD1 TRP A 63 29.202 -10.567 -5.803 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.973 -10.155 -7.613 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.954 -11.763 -6.433 1.00 0.00 N ATOM 428 CE2 TRP A 63 28.190 -11.567 -7.570 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.217 -9.654 -8.694 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.681 -12.430 -8.545 1.00 0.00 C ATOM 431 CZ3 TRP A 63 26.711 -10.518 -9.685 1.00 0.00 C ATOM 432 CH2 TRP A 63 26.943 -11.902 -9.610 1.00 0.00 C ATOM 0 H TRP A 63 31.634 -7.803 -7.371 1.00 0.00 H new ATOM 0 HA TRP A 63 29.516 -7.618 -7.979 1.00 0.00 H new ATOM 0 HB2 TRP A 63 29.013 -8.039 -5.039 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.696 -7.686 -6.141 1.00 0.00 H new ATOM 0 HD1 TRP A 63 29.779 -10.460 -4.896 1.00 0.00 H new ATOM 0 HE1 TRP A 63 29.287 -12.670 -6.107 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.024 -8.594 -8.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 27.856 -13.494 -8.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.141 -10.114 -10.508 1.00 0.00 H new ATOM 0 HH2 TRP A 63 26.552 -12.558 -10.374 1.00 0.00 H new ATOM 443 N LYS A 64 30.017 -5.018 -6.061 1.00 0.00 N ATOM 444 CA LYS A 64 29.808 -3.587 -5.948 1.00 0.00 C ATOM 445 C LYS A 64 30.069 -2.934 -7.304 1.00 0.00 C ATOM 446 O LYS A 64 29.290 -2.099 -7.754 1.00 0.00 O ATOM 447 CB LYS A 64 30.760 -3.035 -4.881 1.00 0.00 C ATOM 448 CG LYS A 64 30.478 -1.549 -4.645 1.00 0.00 C ATOM 449 CD LYS A 64 31.349 -1.023 -3.495 1.00 0.00 C ATOM 450 CE LYS A 64 32.834 -1.046 -3.892 1.00 0.00 C ATOM 451 NZ LYS A 64 33.534 -2.209 -3.307 1.00 0.00 N ATOM 0 H LYS A 64 30.755 -5.378 -5.456 1.00 0.00 H new ATOM 0 HA LYS A 64 28.782 -3.369 -5.653 1.00 0.00 H new ATOM 0 HB2 LYS A 64 30.637 -3.589 -3.950 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.794 -3.171 -5.199 1.00 0.00 H new ATOM 0 HG2 LYS A 64 30.682 -0.983 -5.554 1.00 0.00 H new ATOM 0 HG3 LYS A 64 29.424 -1.404 -4.409 1.00 0.00 H new ATOM 0 HD2 LYS A 64 31.050 -0.006 -3.240 1.00 0.00 H new ATOM 0 HD3 LYS A 64 31.195 -1.633 -2.605 1.00 0.00 H new ATOM 0 HE2 LYS A 64 32.921 -1.077 -4.978 1.00 0.00 H new ATOM 0 HE3 LYS A 64 33.315 -0.126 -3.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 34.486 -1.923 -3.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 32.998 -2.561 -2.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 33.611 -2.962 -4.020 1.00 0.00 H new ATOM 465 N VAL A 65 31.173 -3.332 -7.950 1.00 0.00 N ATOM 466 CA VAL A 65 31.553 -2.813 -9.257 1.00 0.00 C ATOM 467 C VAL A 65 30.396 -2.989 -10.241 1.00 0.00 C ATOM 468 O VAL A 65 30.076 -2.081 -11.005 1.00 0.00 O ATOM 469 CB VAL A 65 32.797 -3.572 -9.755 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.267 -2.978 -11.084 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.925 -3.467 -8.727 1.00 0.00 C ATOM 0 H VAL A 65 31.823 -4.023 -7.576 1.00 0.00 H new ATOM 0 HA VAL A 65 31.784 -1.751 -9.180 1.00 0.00 H new ATOM 0 HB VAL A 65 32.535 -4.621 -9.895 1.00 0.00 H new ATOM 0 HG11 VAL A 65 34.147 -3.518 -11.433 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.471 -3.066 -11.823 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.518 -1.927 -10.944 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.799 -4.007 -9.090 1.00 0.00 H new ATOM 0 HG22 VAL A 65 34.183 -2.419 -8.576 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.597 -3.900 -7.782 1.00 0.00 H new ATOM 481 N ILE A 66 29.778 -4.169 -10.212 1.00 0.00 N ATOM 482 CA ILE A 66 28.678 -4.499 -11.100 1.00 0.00 C ATOM 483 C ILE A 66 27.454 -3.656 -10.740 1.00 0.00 C ATOM 484 O ILE A 66 26.779 -3.132 -11.626 1.00 0.00 O ATOM 485 CB ILE A 66 28.389 -6.005 -10.983 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.700 -6.781 -11.207 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.348 -6.418 -12.028 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.442 -8.282 -11.251 1.00 0.00 C ATOM 0 H ILE A 66 30.030 -4.920 -9.569 1.00 0.00 H new ATOM 0 HA ILE A 66 28.936 -4.274 -12.135 1.00 0.00 H new ATOM 0 HB ILE A 66 27.995 -6.230 -9.992 1.00 0.00 H new ATOM 0 HG12 ILE A 66 30.163 -6.460 -12.140 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.404 -6.552 -10.407 1.00 0.00 H new ATOM 0 HG21 ILE A 66 27.148 -7.486 -11.940 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.426 -5.861 -11.863 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.729 -6.201 -13.026 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.383 -8.808 -11.410 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.002 -8.603 -10.307 1.00 0.00 H new ATOM 0 HD13 ILE A 66 28.756 -8.510 -12.067 1.00 0.00 H new ATOM 500 N ALA A 67 27.176 -3.520 -9.439 1.00 0.00 N ATOM 501 CA ALA A 67 26.048 -2.734 -8.964 1.00 0.00 C ATOM 502 C ALA A 67 26.180 -1.281 -9.424 1.00 0.00 C ATOM 503 O ALA A 67 25.189 -0.660 -9.797 1.00 0.00 O ATOM 504 CB ALA A 67 25.982 -2.812 -7.439 1.00 0.00 C ATOM 0 H ALA A 67 27.726 -3.951 -8.696 1.00 0.00 H new ATOM 0 HA ALA A 67 25.126 -3.138 -9.381 1.00 0.00 H new ATOM 0 HB1 ALA A 67 25.137 -2.224 -7.081 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.857 -3.851 -7.133 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.905 -2.418 -7.014 1.00 0.00 H new ATOM 510 N ASN A 68 27.407 -0.737 -9.399 1.00 0.00 N ATOM 511 CA ASN A 68 27.648 0.642 -9.816 1.00 0.00 C ATOM 512 C ASN A 68 27.205 0.839 -11.267 1.00 0.00 C ATOM 513 O ASN A 68 26.678 1.894 -11.614 1.00 0.00 O ATOM 514 CB ASN A 68 29.138 0.988 -9.666 1.00 0.00 C ATOM 515 CG ASN A 68 29.612 0.882 -8.216 1.00 0.00 C ATOM 516 OD1 ASN A 68 30.686 0.348 -7.952 1.00 0.00 O ATOM 517 ND2 ASN A 68 28.818 1.395 -7.275 1.00 0.00 N ATOM 0 H ASN A 68 28.243 -1.235 -9.094 1.00 0.00 H new ATOM 0 HA ASN A 68 27.067 1.308 -9.178 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.730 0.318 -10.290 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.313 2.000 -10.031 1.00 0.00 H new ATOM 0 HD21 ASN A 68 29.096 1.352 -6.294 1.00 0.00 H new ATOM 0 HD22 ASN A 68 27.933 1.830 -7.536 1.00 0.00 H new ATOM 524 N TYR A 69 27.422 -0.176 -12.116 1.00 0.00 N ATOM 525 CA TYR A 69 27.056 -0.096 -13.525 1.00 0.00 C ATOM 526 C TYR A 69 25.557 -0.353 -13.716 1.00 0.00 C ATOM 527 O TYR A 69 25.033 -0.121 -14.805 1.00 0.00 O ATOM 528 CB TYR A 69 27.872 -1.117 -14.325 1.00 0.00 C ATOM 529 CG TYR A 69 29.378 -0.998 -14.155 1.00 0.00 C ATOM 530 CD1 TYR A 69 29.986 0.259 -13.948 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.175 -2.154 -14.222 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.381 0.349 -13.804 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.569 -2.060 -14.085 1.00 0.00 C ATOM 534 CZ TYR A 69 32.171 -0.809 -13.873 1.00 0.00 C ATOM 535 OH TYR A 69 33.525 -0.719 -13.738 1.00 0.00 O ATOM 0 H TYR A 69 27.850 -1.061 -11.844 1.00 0.00 H new ATOM 0 HA TYR A 69 27.276 0.909 -13.886 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.565 -2.120 -14.029 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.629 -1.008 -15.382 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.379 1.151 -13.900 1.00 0.00 H new ATOM 0 HD2 TYR A 69 29.713 -3.118 -14.379 1.00 0.00 H new ATOM 0 HE1 TYR A 69 31.846 1.310 -13.640 1.00 0.00 H new ATOM 0 HE2 TYR A 69 32.178 -2.950 -14.143 1.00 0.00 H new ATOM 0 HH TYR A 69 33.921 -1.613 -13.810 1.00 0.00 H new ATOM 545 N LEU A 70 24.867 -0.829 -12.665 1.00 0.00 N ATOM 546 CA LEU A 70 23.437 -1.113 -12.731 1.00 0.00 C ATOM 547 C LEU A 70 22.705 -0.354 -11.619 1.00 0.00 C ATOM 548 O LEU A 70 22.372 -0.948 -10.592 1.00 0.00 O ATOM 549 CB LEU A 70 23.209 -2.627 -12.579 1.00 0.00 C ATOM 550 CG LEU A 70 23.818 -3.398 -13.764 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.740 -4.898 -13.476 1.00 0.00 C ATOM 552 CD2 LEU A 70 23.044 -3.092 -15.052 1.00 0.00 C ATOM 0 H LEU A 70 25.288 -1.024 -11.756 1.00 0.00 H new ATOM 0 HA LEU A 70 23.045 -0.787 -13.694 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.655 -2.974 -11.647 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.140 -2.833 -12.517 1.00 0.00 H new ATOM 0 HG LEU A 70 24.856 -3.092 -13.893 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.170 -5.452 -14.311 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.297 -5.123 -12.566 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.698 -5.190 -13.345 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.486 -3.644 -15.882 1.00 0.00 H new ATOM 0 HD22 LEU A 70 22.003 -3.391 -14.931 1.00 0.00 H new ATOM 0 HD23 LEU A 70 23.093 -2.023 -15.260 1.00 0.00 H new ATOM 564 N PRO A 71 22.443 0.962 -11.816 1.00 0.00 N ATOM 565 CA PRO A 71 21.735 1.778 -10.844 1.00 0.00 C ATOM 566 C PRO A 71 20.266 1.339 -10.772 1.00 0.00 C ATOM 567 O PRO A 71 19.381 2.004 -11.302 1.00 0.00 O ATOM 568 CB PRO A 71 21.886 3.223 -11.338 1.00 0.00 C ATOM 569 CG PRO A 71 22.395 3.139 -12.781 1.00 0.00 C ATOM 570 CD PRO A 71 22.839 1.692 -13.005 1.00 0.00 C ATOM 0 HA PRO A 71 22.132 1.677 -9.834 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.933 3.750 -11.293 1.00 0.00 H new ATOM 0 HB3 PRO A 71 22.586 3.776 -10.711 1.00 0.00 H new ATOM 0 HG2 PRO A 71 21.611 3.417 -13.485 1.00 0.00 H new ATOM 0 HG3 PRO A 71 23.225 3.828 -12.940 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.368 1.273 -13.894 1.00 0.00 H new ATOM 0 HD3 PRO A 71 23.917 1.634 -13.157 1.00 0.00 H new ATOM 578 N ASN A 72 20.032 0.200 -10.115 1.00 0.00 N ATOM 579 CA ASN A 72 18.708 -0.400 -9.971 1.00 0.00 C ATOM 580 C ASN A 72 18.810 -1.647 -9.098 1.00 0.00 C ATOM 581 O ASN A 72 17.911 -1.925 -8.307 1.00 0.00 O ATOM 582 CB ASN A 72 18.132 -0.770 -11.353 1.00 0.00 C ATOM 583 CG ASN A 72 16.784 -0.097 -11.601 1.00 0.00 C ATOM 584 OD1 ASN A 72 15.750 -0.767 -11.596 1.00 0.00 O ATOM 585 ND2 ASN A 72 16.787 1.215 -11.817 1.00 0.00 N ATOM 0 H ASN A 72 20.771 -0.338 -9.662 1.00 0.00 H new ATOM 0 HA ASN A 72 18.039 0.321 -9.500 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.835 -0.474 -12.132 1.00 0.00 H new ATOM 0 HB3 ASN A 72 18.017 -1.852 -11.422 1.00 0.00 H new ATOM 0 HD21 ASN A 72 15.909 1.706 -11.987 1.00 0.00 H new ATOM 0 HD22 ASN A 72 17.667 1.731 -11.812 1.00 0.00 H new ATOM 592 N ARG A 73 19.912 -2.399 -9.257 1.00 0.00 N ATOM 593 CA ARG A 73 20.136 -3.632 -8.518 1.00 0.00 C ATOM 594 C ARG A 73 21.462 -3.537 -7.767 1.00 0.00 C ATOM 595 O ARG A 73 22.519 -3.445 -8.387 1.00 0.00 O ATOM 596 CB ARG A 73 20.155 -4.822 -9.500 1.00 0.00 C ATOM 597 CG ARG A 73 19.018 -4.711 -10.533 1.00 0.00 C ATOM 598 CD ARG A 73 17.645 -4.833 -9.855 1.00 0.00 C ATOM 599 NE ARG A 73 16.638 -4.051 -10.585 1.00 0.00 N ATOM 600 CZ ARG A 73 16.234 -4.356 -11.828 1.00 0.00 C ATOM 601 NH1 ARG A 73 16.517 -5.552 -12.352 1.00 0.00 N ATOM 602 NH2 ARG A 73 15.550 -3.459 -12.547 1.00 0.00 N ATOM 0 H ARG A 73 20.665 -2.161 -9.902 1.00 0.00 H new ATOM 0 HA ARG A 73 19.333 -3.785 -7.797 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.115 -4.857 -10.015 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.056 -5.756 -8.946 1.00 0.00 H new ATOM 0 HG2 ARG A 73 19.087 -3.756 -11.054 1.00 0.00 H new ATOM 0 HG3 ARG A 73 19.127 -5.493 -11.285 1.00 0.00 H new ATOM 0 HD2 ARG A 73 17.343 -5.880 -9.817 1.00 0.00 H new ATOM 0 HD3 ARG A 73 17.709 -4.482 -8.825 1.00 0.00 H new ATOM 0 HE ARG A 73 16.227 -3.238 -10.126 1.00 0.00 H new ATOM 0 HH11 ARG A 73 17.042 -6.236 -11.807 1.00 0.00 H new ATOM 0 HH12 ARG A 73 16.209 -5.781 -13.297 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.336 -2.544 -12.151 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.243 -3.690 -13.492 1.00 0.00 H new ATOM 616 N THR A 74 21.406 -3.561 -6.429 1.00 0.00 N ATOM 617 CA THR A 74 22.608 -3.492 -5.608 1.00 0.00 C ATOM 618 C THR A 74 23.299 -4.858 -5.605 1.00 0.00 C ATOM 619 O THR A 74 22.870 -5.772 -6.309 1.00 0.00 O ATOM 620 CB THR A 74 22.241 -3.061 -4.179 1.00 0.00 C ATOM 621 OG1 THR A 74 21.437 -4.049 -3.572 1.00 0.00 O ATOM 622 CG2 THR A 74 21.481 -1.731 -4.212 1.00 0.00 C ATOM 0 H THR A 74 20.538 -3.628 -5.898 1.00 0.00 H new ATOM 0 HA THR A 74 23.294 -2.753 -6.021 1.00 0.00 H new ATOM 0 HB THR A 74 23.157 -2.936 -3.602 1.00 0.00 H new ATOM 0 HG1 THR A 74 20.541 -4.032 -3.969 1.00 0.00 H new ATOM 0 HG21 THR A 74 21.225 -1.433 -3.195 1.00 0.00 H new ATOM 0 HG22 THR A 74 22.108 -0.965 -4.668 1.00 0.00 H new ATOM 0 HG23 THR A 74 20.569 -1.848 -4.797 1.00 0.00 H new ATOM 630 N ASP A 75 24.368 -4.994 -4.807 1.00 0.00 N ATOM 631 CA ASP A 75 25.103 -6.248 -4.702 1.00 0.00 C ATOM 632 C ASP A 75 24.141 -7.391 -4.376 1.00 0.00 C ATOM 633 O ASP A 75 24.199 -8.437 -5.000 1.00 0.00 O ATOM 634 CB ASP A 75 26.181 -6.119 -3.614 1.00 0.00 C ATOM 635 CG ASP A 75 26.476 -7.469 -2.956 1.00 0.00 C ATOM 636 OD1 ASP A 75 26.863 -8.399 -3.698 1.00 0.00 O ATOM 637 OD2 ASP A 75 26.303 -7.544 -1.721 1.00 0.00 O ATOM 0 H ASP A 75 24.739 -4.243 -4.225 1.00 0.00 H new ATOM 0 HA ASP A 75 25.587 -6.469 -5.653 1.00 0.00 H new ATOM 0 HB2 ASP A 75 27.095 -5.718 -4.052 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.852 -5.408 -2.856 1.00 0.00 H new ATOM 642 N VAL A 76 23.263 -7.183 -3.393 1.00 0.00 N ATOM 643 CA VAL A 76 22.320 -8.208 -2.971 1.00 0.00 C ATOM 644 C VAL A 76 21.486 -8.699 -4.160 1.00 0.00 C ATOM 645 O VAL A 76 21.432 -9.899 -4.419 1.00 0.00 O ATOM 646 CB VAL A 76 21.421 -7.643 -1.860 1.00 0.00 C ATOM 647 CG1 VAL A 76 20.360 -8.678 -1.469 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.272 -7.305 -0.630 1.00 0.00 C ATOM 0 H VAL A 76 23.189 -6.308 -2.875 1.00 0.00 H new ATOM 0 HA VAL A 76 22.868 -9.065 -2.580 1.00 0.00 H new ATOM 0 HB VAL A 76 20.930 -6.741 -2.226 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.727 -8.270 -0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 76 19.748 -8.918 -2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.850 -9.583 -1.109 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.632 -6.905 0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 76 22.767 -8.207 -0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.023 -6.562 -0.900 1.00 0.00 H new ATOM 658 N GLN A 77 20.831 -7.775 -4.877 1.00 0.00 N ATOM 659 CA GLN A 77 19.979 -8.138 -6.007 1.00 0.00 C ATOM 660 C GLN A 77 20.798 -8.805 -7.114 1.00 0.00 C ATOM 661 O GLN A 77 20.393 -9.838 -7.636 1.00 0.00 O ATOM 662 CB GLN A 77 19.272 -6.891 -6.553 1.00 0.00 C ATOM 663 CG GLN A 77 18.155 -6.445 -5.602 1.00 0.00 C ATOM 664 CD GLN A 77 18.674 -5.447 -4.576 1.00 0.00 C ATOM 665 OE1 GLN A 77 19.010 -4.317 -4.925 1.00 0.00 O ATOM 666 NE2 GLN A 77 18.741 -5.860 -3.312 1.00 0.00 N ATOM 0 H GLN A 77 20.878 -6.773 -4.691 1.00 0.00 H new ATOM 0 HA GLN A 77 19.231 -8.850 -5.659 1.00 0.00 H new ATOM 0 HB2 GLN A 77 19.993 -6.084 -6.680 1.00 0.00 H new ATOM 0 HB3 GLN A 77 18.856 -7.104 -7.538 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.344 -5.994 -6.174 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.740 -7.314 -5.091 1.00 0.00 H new ATOM 0 HE21 GLN A 77 18.451 -6.807 -3.069 1.00 0.00 H new ATOM 0 HE22 GLN A 77 19.082 -5.229 -2.587 1.00 0.00 H new ATOM 675 N CYS A 78 21.941 -8.212 -7.476 1.00 0.00 N ATOM 676 CA CYS A 78 22.788 -8.745 -8.541 1.00 0.00 C ATOM 677 C CYS A 78 23.252 -10.158 -8.191 1.00 0.00 C ATOM 678 O CYS A 78 23.072 -11.091 -8.976 1.00 0.00 O ATOM 679 CB CYS A 78 24.001 -7.828 -8.737 1.00 0.00 C ATOM 680 SG CYS A 78 23.473 -6.300 -9.548 1.00 0.00 S ATOM 0 H CYS A 78 22.299 -7.360 -7.044 1.00 0.00 H new ATOM 0 HA CYS A 78 22.214 -8.787 -9.466 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.460 -7.602 -7.774 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.757 -8.331 -9.340 1.00 0.00 H new ATOM 0 HG CYS A 78 23.159 -5.417 -8.647 1.00 0.00 H new ATOM 686 N GLN A 79 23.855 -10.303 -7.011 1.00 0.00 N ATOM 687 CA GLN A 79 24.377 -11.572 -6.539 1.00 0.00 C ATOM 688 C GLN A 79 23.272 -12.628 -6.527 1.00 0.00 C ATOM 689 O GLN A 79 23.455 -13.716 -7.068 1.00 0.00 O ATOM 690 CB GLN A 79 24.966 -11.365 -5.139 1.00 0.00 C ATOM 691 CG GLN A 79 25.796 -12.581 -4.727 1.00 0.00 C ATOM 692 CD GLN A 79 26.304 -12.441 -3.292 1.00 0.00 C ATOM 693 OE1 GLN A 79 26.289 -13.408 -2.535 1.00 0.00 O ATOM 694 NE2 GLN A 79 26.754 -11.240 -2.915 1.00 0.00 N ATOM 0 H GLN A 79 23.993 -9.533 -6.356 1.00 0.00 H new ATOM 0 HA GLN A 79 25.160 -11.929 -7.207 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.589 -10.470 -5.128 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.163 -11.204 -4.420 1.00 0.00 H new ATOM 0 HG2 GLN A 79 25.192 -13.484 -4.816 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.641 -12.695 -5.406 1.00 0.00 H new ATOM 0 HE21 GLN A 79 26.749 -10.463 -3.576 1.00 0.00 H new ATOM 0 HE22 GLN A 79 27.103 -11.101 -1.967 1.00 0.00 H new ATOM 703 N HIS A 80 22.125 -12.304 -5.912 1.00 0.00 N ATOM 704 CA HIS A 80 21.001 -13.228 -5.837 1.00 0.00 C ATOM 705 C HIS A 80 20.541 -13.613 -7.234 1.00 0.00 C ATOM 706 O HIS A 80 20.426 -14.793 -7.539 1.00 0.00 O ATOM 707 CB HIS A 80 19.844 -12.583 -5.069 1.00 0.00 C ATOM 708 CG HIS A 80 20.004 -12.671 -3.576 1.00 0.00 C ATOM 709 ND1 HIS A 80 19.109 -12.075 -2.698 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.930 -13.286 -2.771 1.00 0.00 C ATOM 711 CE1 HIS A 80 19.537 -12.359 -1.454 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.647 -13.097 -1.427 1.00 0.00 N ATOM 0 H HIS A 80 21.958 -11.405 -5.460 1.00 0.00 H new ATOM 0 HA HIS A 80 21.322 -14.127 -5.312 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.763 -11.535 -5.358 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.910 -13.066 -5.357 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.775 -13.848 -3.139 1.00 0.00 H new ATOM 0 HE1 HIS A 80 19.030 -12.021 -0.562 1.00 0.00 H new ATOM 0 HE2 HIS A 80 21.162 -13.439 -0.616 1.00 0.00 H new ATOM 720 N ARG A 81 20.269 -12.618 -8.080 1.00 0.00 N ATOM 721 CA ARG A 81 19.791 -12.870 -9.426 1.00 0.00 C ATOM 722 C ARG A 81 20.688 -13.885 -10.121 1.00 0.00 C ATOM 723 O ARG A 81 20.194 -14.823 -10.730 1.00 0.00 O ATOM 724 CB ARG A 81 19.742 -11.555 -10.217 1.00 0.00 C ATOM 725 CG ARG A 81 19.304 -11.819 -11.669 1.00 0.00 C ATOM 726 CD ARG A 81 17.905 -12.444 -11.696 1.00 0.00 C ATOM 727 NE ARG A 81 17.368 -12.477 -13.062 1.00 0.00 N ATOM 728 CZ ARG A 81 16.160 -12.983 -13.361 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.390 -13.500 -12.394 1.00 0.00 N ATOM 730 NH2 ARG A 81 15.724 -12.974 -14.627 1.00 0.00 N ATOM 0 H ARG A 81 20.374 -11.630 -7.849 1.00 0.00 H new ATOM 0 HA ARG A 81 18.783 -13.283 -9.376 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.048 -10.862 -9.741 1.00 0.00 H new ATOM 0 HB3 ARG A 81 20.723 -11.080 -10.207 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.304 -10.885 -12.232 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.017 -12.485 -12.156 1.00 0.00 H new ATOM 0 HD2 ARG A 81 17.948 -13.456 -11.294 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.236 -11.873 -11.052 1.00 0.00 H new ATOM 0 HE ARG A 81 17.938 -12.099 -13.818 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.721 -13.510 -11.429 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.473 -13.884 -12.623 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.309 -12.583 -15.365 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.807 -13.358 -14.853 1.00 0.00 H new ATOM 744 N TRP A 82 22.005 -13.701 -10.039 1.00 0.00 N ATOM 745 CA TRP A 82 22.922 -14.602 -10.701 1.00 0.00 C ATOM 746 C TRP A 82 23.013 -15.945 -9.964 1.00 0.00 C ATOM 747 O TRP A 82 22.532 -16.955 -10.463 1.00 0.00 O ATOM 748 CB TRP A 82 24.304 -13.963 -10.820 1.00 0.00 C ATOM 749 CG TRP A 82 25.289 -14.841 -11.521 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.272 -15.542 -10.935 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.372 -15.173 -12.939 1.00 0.00 C ATOM 752 NE1 TRP A 82 26.955 -16.296 -11.856 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.436 -16.110 -13.123 1.00 0.00 C ATOM 754 CE3 TRP A 82 24.650 -14.792 -14.095 1.00 0.00 C ATOM 755 CZ2 TRP A 82 26.756 -16.645 -14.371 1.00 0.00 C ATOM 756 CZ3 TRP A 82 24.974 -15.328 -15.359 1.00 0.00 C ATOM 757 CH2 TRP A 82 26.020 -16.258 -15.493 1.00 0.00 C ATOM 0 H TRP A 82 22.449 -12.941 -9.524 1.00 0.00 H new ATOM 0 HA TRP A 82 22.538 -14.796 -11.702 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.218 -13.019 -11.358 1.00 0.00 H new ATOM 0 HB3 TRP A 82 24.678 -13.728 -9.823 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.496 -15.516 -9.879 1.00 0.00 H new ATOM 0 HE1 TRP A 82 27.739 -16.910 -11.635 1.00 0.00 H new ATOM 0 HE3 TRP A 82 23.841 -14.082 -14.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 27.566 -17.353 -14.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 24.414 -15.022 -16.230 1.00 0.00 H new ATOM 0 HH2 TRP A 82 26.254 -16.673 -16.462 1.00 0.00 H new ATOM 768 N GLN A 83 23.653 -15.951 -8.791 1.00 0.00 N ATOM 769 CA GLN A 83 23.915 -17.178 -8.041 1.00 0.00 C ATOM 770 C GLN A 83 22.641 -17.986 -7.770 1.00 0.00 C ATOM 771 O GLN A 83 22.668 -19.213 -7.846 1.00 0.00 O ATOM 772 CB GLN A 83 24.592 -16.820 -6.708 1.00 0.00 C ATOM 773 CG GLN A 83 25.996 -16.246 -6.951 1.00 0.00 C ATOM 774 CD GLN A 83 26.953 -17.309 -7.494 1.00 0.00 C ATOM 775 OE1 GLN A 83 26.705 -18.503 -7.359 1.00 0.00 O ATOM 776 NE2 GLN A 83 28.052 -16.869 -8.109 1.00 0.00 N ATOM 0 H GLN A 83 24.002 -15.107 -8.338 1.00 0.00 H new ATOM 0 HA GLN A 83 24.569 -17.803 -8.650 1.00 0.00 H new ATOM 0 HB2 GLN A 83 23.984 -16.093 -6.169 1.00 0.00 H new ATOM 0 HB3 GLN A 83 24.660 -17.707 -6.079 1.00 0.00 H new ATOM 0 HG2 GLN A 83 25.934 -15.417 -7.656 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.391 -15.842 -6.019 1.00 0.00 H new ATOM 0 HE21 GLN A 83 28.219 -15.867 -8.199 1.00 0.00 H new ATOM 0 HE22 GLN A 83 28.725 -17.535 -8.489 1.00 0.00 H new ATOM 785 N LYS A 84 21.541 -17.313 -7.429 1.00 0.00 N ATOM 786 CA LYS A 84 20.311 -17.995 -7.042 1.00 0.00 C ATOM 787 C LYS A 84 19.434 -18.371 -8.248 1.00 0.00 C ATOM 788 O LYS A 84 18.405 -19.018 -8.055 1.00 0.00 O ATOM 789 CB LYS A 84 19.534 -17.094 -6.069 1.00 0.00 C ATOM 790 CG LYS A 84 18.746 -17.951 -5.076 1.00 0.00 C ATOM 791 CD LYS A 84 17.968 -17.040 -4.120 1.00 0.00 C ATOM 792 CE LYS A 84 17.211 -17.885 -3.090 1.00 0.00 C ATOM 793 NZ LYS A 84 16.156 -18.694 -3.729 1.00 0.00 N ATOM 0 H LYS A 84 21.480 -16.295 -7.414 1.00 0.00 H new ATOM 0 HA LYS A 84 20.581 -18.934 -6.559 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.225 -16.444 -5.532 1.00 0.00 H new ATOM 0 HB3 LYS A 84 18.854 -16.448 -6.624 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.059 -18.607 -5.611 1.00 0.00 H new ATOM 0 HG3 LYS A 84 19.425 -18.592 -4.513 1.00 0.00 H new ATOM 0 HD2 LYS A 84 18.654 -16.361 -3.613 1.00 0.00 H new ATOM 0 HD3 LYS A 84 17.267 -16.423 -4.682 1.00 0.00 H new ATOM 0 HE2 LYS A 84 17.910 -18.541 -2.570 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.767 -17.233 -2.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.534 -19.094 -2.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 15.597 -18.093 -4.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.592 -19.466 -4.273 1.00 0.00 H new ATOM 807 N VAL A 85 19.812 -17.979 -9.483 1.00 0.00 N ATOM 808 CA VAL A 85 18.995 -18.300 -10.659 1.00 0.00 C ATOM 809 C VAL A 85 19.875 -18.757 -11.832 1.00 0.00 C ATOM 810 O VAL A 85 19.790 -19.912 -12.246 1.00 0.00 O ATOM 811 CB VAL A 85 18.128 -17.086 -11.059 1.00 0.00 C ATOM 812 CG1 VAL A 85 16.985 -17.554 -11.962 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.538 -16.409 -9.811 1.00 0.00 C ATOM 0 H VAL A 85 20.661 -17.451 -9.684 1.00 0.00 H new ATOM 0 HA VAL A 85 18.332 -19.125 -10.401 1.00 0.00 H new ATOM 0 HB VAL A 85 18.755 -16.368 -11.588 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.372 -16.699 -12.246 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.396 -18.019 -12.858 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.372 -18.279 -11.426 1.00 0.00 H new ATOM 0 HG21 VAL A 85 16.930 -15.556 -10.113 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.918 -17.123 -9.269 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.347 -16.068 -9.165 1.00 0.00 H new ATOM 823 N LEU A 86 20.708 -17.857 -12.377 1.00 0.00 N ATOM 824 CA LEU A 86 21.559 -18.191 -13.518 1.00 0.00 C ATOM 825 C LEU A 86 22.564 -19.270 -13.121 1.00 0.00 C ATOM 826 O LEU A 86 23.147 -19.215 -12.040 1.00 0.00 O ATOM 827 CB LEU A 86 22.316 -16.945 -14.010 1.00 0.00 C ATOM 828 CG LEU A 86 21.436 -16.019 -14.882 1.00 0.00 C ATOM 829 CD1 LEU A 86 20.801 -16.800 -16.036 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.346 -15.359 -14.039 1.00 0.00 C ATOM 0 H LEU A 86 20.807 -16.898 -12.044 1.00 0.00 H new ATOM 0 HA LEU A 86 20.924 -18.561 -14.323 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.685 -16.386 -13.150 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.188 -17.258 -14.584 1.00 0.00 H new ATOM 0 HG LEU A 86 22.078 -15.242 -15.297 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.187 -16.128 -16.635 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.585 -17.229 -16.660 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.179 -17.600 -15.635 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.738 -14.712 -14.672 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.715 -16.128 -13.594 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.806 -14.766 -13.249 1.00 0.00 H new