USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 372 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -178:sc= 1.28 (180deg=1.21) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 1.28 (180deg=1.28) USER MOD Single : A 53 LYS NZ :NH3+ 158:sc= 1.3 (180deg=0.482) USER MOD Single : A 57 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.11) USER MOD Single : A 58 ASN : amide:sc= 0.834 K(o=0.83,f=-0.13) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00569 USER MOD Single : A 64 LYS NZ :NH3+ -164:sc= -0.0248 (180deg=-0.248) USER MOD Single : A 68 ASN : amide:sc= 0.0243 X(o=0.024,f=-0.01) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.281 X(o=-0.28,f=-0.084) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0241 USER MOD Single : A 77 GLN : amide:sc= 0.315 K(o=0.32,f=-2.6!) USER MOD Single : A 78 CYS SG : rot -160:sc= -0.922 USER MOD Single : A 79 GLN : amide:sc= 0.101 X(o=0.1,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.011) USER MOD Single : A 83 GLN : amide:sc= -0.43 X(o=-0.43,f=-0.0018) USER MOD Single : A 84 LYS NZ :NH3+ 167:sc= -0.0168 (180deg=-0.2) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.017 -7.892 -13.567 1.00 0.00 N ATOM 90 CA TRP A 43 14.195 -8.279 -14.333 1.00 0.00 C ATOM 91 C TRP A 43 13.752 -8.655 -15.745 1.00 0.00 C ATOM 92 O TRP A 43 12.577 -8.944 -15.967 1.00 0.00 O ATOM 93 CB TRP A 43 14.904 -9.453 -13.649 1.00 0.00 C ATOM 94 CG TRP A 43 15.854 -9.067 -12.553 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.587 -9.095 -11.237 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.236 -8.599 -12.656 1.00 0.00 C ATOM 97 NE1 TRP A 43 16.679 -8.692 -10.501 1.00 0.00 N ATOM 98 CE2 TRP A 43 17.738 -8.370 -11.332 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.124 -8.347 -13.728 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.044 -7.917 -11.093 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.438 -7.889 -13.489 1.00 0.00 C ATOM 102 CH2 TRP A 43 19.894 -7.672 -12.177 1.00 0.00 C ATOM 0 HA TRP A 43 14.901 -7.450 -14.385 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.150 -10.123 -13.237 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.453 -10.016 -14.404 1.00 0.00 H new ATOM 0 HD1 TRP A 43 14.640 -9.394 -10.812 1.00 0.00 H new ATOM 0 HE1 TRP A 43 16.704 -8.638 -9.483 1.00 0.00 H new ATOM 0 HE3 TRP A 43 17.792 -8.507 -14.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.390 -7.759 -10.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.099 -7.704 -14.322 1.00 0.00 H new ATOM 0 HH2 TRP A 43 20.899 -7.317 -12.006 1.00 0.00 H new ATOM 113 N THR A 44 14.689 -8.647 -16.698 1.00 0.00 N ATOM 114 CA THR A 44 14.383 -8.979 -18.082 1.00 0.00 C ATOM 115 C THR A 44 15.648 -9.468 -18.784 1.00 0.00 C ATOM 116 O THR A 44 16.756 -9.197 -18.325 1.00 0.00 O ATOM 117 CB THR A 44 13.784 -7.750 -18.788 1.00 0.00 C ATOM 118 OG1 THR A 44 13.383 -8.105 -20.094 1.00 0.00 O ATOM 119 CG2 THR A 44 14.816 -6.621 -18.864 1.00 0.00 C ATOM 0 H THR A 44 15.667 -8.413 -16.530 1.00 0.00 H new ATOM 0 HA THR A 44 13.646 -9.781 -18.119 1.00 0.00 H new ATOM 0 HB THR A 44 12.922 -7.404 -18.217 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.000 -7.322 -20.543 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.376 -5.759 -19.366 1.00 0.00 H new ATOM 0 HG22 THR A 44 15.120 -6.338 -17.856 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.687 -6.961 -19.424 1.00 0.00 H new ATOM 127 N ARG A 45 15.467 -10.195 -19.897 1.00 0.00 N ATOM 128 CA ARG A 45 16.572 -10.771 -20.655 1.00 0.00 C ATOM 129 C ARG A 45 17.646 -9.724 -20.961 1.00 0.00 C ATOM 130 O ARG A 45 18.832 -10.035 -20.914 1.00 0.00 O ATOM 131 CB ARG A 45 16.025 -11.378 -21.952 1.00 0.00 C ATOM 132 CG ARG A 45 17.177 -11.972 -22.772 1.00 0.00 C ATOM 133 CD ARG A 45 16.619 -12.896 -23.860 1.00 0.00 C ATOM 134 NE ARG A 45 16.072 -14.133 -23.280 1.00 0.00 N ATOM 135 CZ ARG A 45 16.842 -15.148 -22.841 1.00 0.00 C ATOM 136 NH1 ARG A 45 18.178 -15.068 -22.917 1.00 0.00 N ATOM 137 NH2 ARG A 45 16.268 -16.242 -22.326 1.00 0.00 N ATOM 0 H ARG A 45 14.548 -10.396 -20.291 1.00 0.00 H new ATOM 0 HA ARG A 45 17.043 -11.550 -20.055 1.00 0.00 H new ATOM 0 HB2 ARG A 45 15.293 -12.152 -21.722 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.509 -10.614 -22.533 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.762 -11.172 -23.226 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.850 -12.528 -22.120 1.00 0.00 H new ATOM 0 HD2 ARG A 45 15.839 -12.377 -24.417 1.00 0.00 H new ATOM 0 HD3 ARG A 45 17.408 -13.143 -24.571 1.00 0.00 H new ATOM 0 HE ARG A 45 15.059 -14.227 -23.207 1.00 0.00 H new ATOM 0 HH11 ARG A 45 18.618 -14.235 -23.309 1.00 0.00 H new ATOM 0 HH12 ARG A 45 18.755 -15.840 -22.583 1.00 0.00 H new ATOM 0 HH21 ARG A 45 15.252 -16.305 -22.267 1.00 0.00 H new ATOM 0 HH22 ARG A 45 16.847 -17.013 -21.993 1.00 0.00 H new ATOM 151 N GLU A 46 17.236 -8.492 -21.281 1.00 0.00 N ATOM 152 CA GLU A 46 18.181 -7.434 -21.607 1.00 0.00 C ATOM 153 C GLU A 46 19.134 -7.198 -20.432 1.00 0.00 C ATOM 154 O GLU A 46 20.347 -7.330 -20.581 1.00 0.00 O ATOM 155 CB GLU A 46 17.420 -6.151 -21.958 1.00 0.00 C ATOM 156 CG GLU A 46 18.373 -5.153 -22.631 1.00 0.00 C ATOM 157 CD GLU A 46 18.165 -3.744 -22.091 1.00 0.00 C ATOM 158 OE1 GLU A 46 17.004 -3.287 -22.126 1.00 0.00 O ATOM 159 OE2 GLU A 46 19.177 -3.151 -21.652 1.00 0.00 O ATOM 0 H GLU A 46 16.257 -8.209 -21.319 1.00 0.00 H new ATOM 0 HA GLU A 46 18.774 -7.734 -22.471 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.588 -6.380 -22.624 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.994 -5.711 -21.056 1.00 0.00 H new ATOM 0 HG2 GLU A 46 19.405 -5.461 -22.463 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.210 -5.160 -23.709 1.00 0.00 H new ATOM 166 N GLU A 47 18.586 -6.845 -19.264 1.00 0.00 N ATOM 167 CA GLU A 47 19.397 -6.569 -18.090 1.00 0.00 C ATOM 168 C GLU A 47 20.171 -7.822 -17.675 1.00 0.00 C ATOM 169 O GLU A 47 21.316 -7.722 -17.243 1.00 0.00 O ATOM 170 CB GLU A 47 18.508 -6.067 -16.950 1.00 0.00 C ATOM 171 CG GLU A 47 19.338 -5.180 -16.015 1.00 0.00 C ATOM 172 CD GLU A 47 18.528 -4.737 -14.805 1.00 0.00 C ATOM 173 OE1 GLU A 47 17.280 -4.741 -14.912 1.00 0.00 O ATOM 174 OE2 GLU A 47 19.165 -4.401 -13.790 1.00 0.00 O ATOM 0 H GLU A 47 17.582 -6.746 -19.114 1.00 0.00 H new ATOM 0 HA GLU A 47 20.121 -5.790 -18.328 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.665 -5.504 -17.351 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.094 -6.910 -16.398 1.00 0.00 H new ATOM 0 HG2 GLU A 47 20.222 -5.725 -15.683 1.00 0.00 H new ATOM 0 HG3 GLU A 47 19.690 -4.304 -16.560 1.00 0.00 H new ATOM 181 N ASP A 48 19.550 -9.002 -17.812 1.00 0.00 N ATOM 182 CA ASP A 48 20.204 -10.258 -17.473 1.00 0.00 C ATOM 183 C ASP A 48 21.440 -10.441 -18.352 1.00 0.00 C ATOM 184 O ASP A 48 22.474 -10.889 -17.872 1.00 0.00 O ATOM 185 CB ASP A 48 19.232 -11.428 -17.664 1.00 0.00 C ATOM 186 CG ASP A 48 18.130 -11.425 -16.609 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.446 -11.099 -15.445 1.00 0.00 O ATOM 188 OD2 ASP A 48 16.984 -11.759 -16.982 1.00 0.00 O ATOM 0 H ASP A 48 18.595 -9.105 -18.156 1.00 0.00 H new ATOM 0 HA ASP A 48 20.511 -10.235 -16.427 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.785 -11.372 -18.657 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.781 -12.369 -17.614 1.00 0.00 H new ATOM 193 N GLU A 49 21.333 -10.088 -19.642 1.00 0.00 N ATOM 194 CA GLU A 49 22.451 -10.198 -20.568 1.00 0.00 C ATOM 195 C GLU A 49 23.563 -9.244 -20.134 1.00 0.00 C ATOM 196 O GLU A 49 24.735 -9.622 -20.117 1.00 0.00 O ATOM 197 CB GLU A 49 21.967 -9.887 -21.993 1.00 0.00 C ATOM 198 CG GLU A 49 23.140 -9.937 -22.983 1.00 0.00 C ATOM 199 CD GLU A 49 23.856 -11.283 -22.936 1.00 0.00 C ATOM 200 OE1 GLU A 49 23.144 -12.309 -22.950 1.00 0.00 O ATOM 201 OE2 GLU A 49 25.106 -11.257 -22.889 1.00 0.00 O ATOM 0 H GLU A 49 20.477 -9.724 -20.061 1.00 0.00 H new ATOM 0 HA GLU A 49 22.850 -11.212 -20.560 1.00 0.00 H new ATOM 0 HB2 GLU A 49 21.203 -10.606 -22.289 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.504 -8.901 -22.019 1.00 0.00 H new ATOM 0 HG2 GLU A 49 22.773 -9.754 -23.993 1.00 0.00 H new ATOM 0 HG3 GLU A 49 23.847 -9.140 -22.752 1.00 0.00 H new ATOM 208 N LYS A 50 23.199 -8.006 -19.771 1.00 0.00 N ATOM 209 CA LYS A 50 24.175 -7.033 -19.300 1.00 0.00 C ATOM 210 C LYS A 50 24.879 -7.599 -18.065 1.00 0.00 C ATOM 211 O LYS A 50 26.102 -7.524 -17.959 1.00 0.00 O ATOM 212 CB LYS A 50 23.482 -5.702 -18.966 1.00 0.00 C ATOM 213 CG LYS A 50 23.501 -4.762 -20.182 1.00 0.00 C ATOM 214 CD LYS A 50 22.450 -5.202 -21.207 1.00 0.00 C ATOM 215 CE LYS A 50 22.456 -4.250 -22.407 1.00 0.00 C ATOM 216 NZ LYS A 50 21.841 -2.955 -22.065 1.00 0.00 N ATOM 0 H LYS A 50 22.239 -7.663 -19.797 1.00 0.00 H new ATOM 0 HA LYS A 50 24.911 -6.841 -20.081 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.453 -5.889 -18.660 1.00 0.00 H new ATOM 0 HB3 LYS A 50 23.984 -5.226 -18.124 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.303 -3.739 -19.863 1.00 0.00 H new ATOM 0 HG3 LYS A 50 24.490 -4.767 -20.639 1.00 0.00 H new ATOM 0 HD2 LYS A 50 22.658 -6.219 -21.539 1.00 0.00 H new ATOM 0 HD3 LYS A 50 21.462 -5.212 -20.746 1.00 0.00 H new ATOM 0 HE2 LYS A 50 23.481 -4.091 -22.743 1.00 0.00 H new ATOM 0 HE3 LYS A 50 21.915 -4.704 -23.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.829 -2.344 -22.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.867 -3.110 -21.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 22.393 -2.497 -21.312 1.00 0.00 H new ATOM 230 N LEU A 51 24.100 -8.173 -17.137 1.00 0.00 N ATOM 231 CA LEU A 51 24.646 -8.766 -15.927 1.00 0.00 C ATOM 232 C LEU A 51 25.588 -9.911 -16.302 1.00 0.00 C ATOM 233 O LEU A 51 26.656 -10.040 -15.723 1.00 0.00 O ATOM 234 CB LEU A 51 23.498 -9.258 -15.029 1.00 0.00 C ATOM 235 CG LEU A 51 24.048 -9.817 -13.704 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.806 -8.727 -12.946 1.00 0.00 C ATOM 237 CD2 LEU A 51 22.889 -10.313 -12.837 1.00 0.00 C ATOM 0 H LEU A 51 23.085 -8.235 -17.211 1.00 0.00 H new ATOM 0 HA LEU A 51 25.216 -8.022 -15.371 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.810 -8.437 -14.826 1.00 0.00 H new ATOM 0 HB3 LEU A 51 22.929 -10.030 -15.547 1.00 0.00 H new ATOM 0 HG LEU A 51 24.726 -10.641 -13.925 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.190 -9.134 -12.011 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.637 -8.371 -13.555 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.132 -7.898 -12.731 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.279 -10.709 -11.899 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.211 -9.485 -12.628 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.350 -11.099 -13.366 1.00 0.00 H new ATOM 249 N LYS A 52 25.187 -10.734 -17.281 1.00 0.00 N ATOM 250 CA LYS A 52 26.004 -11.845 -17.757 1.00 0.00 C ATOM 251 C LYS A 52 27.385 -11.326 -18.160 1.00 0.00 C ATOM 252 O LYS A 52 28.402 -11.814 -17.675 1.00 0.00 O ATOM 253 CB LYS A 52 25.294 -12.509 -18.956 1.00 0.00 C ATOM 254 CG LYS A 52 25.717 -13.977 -19.113 1.00 0.00 C ATOM 255 CD LYS A 52 27.205 -14.080 -19.469 1.00 0.00 C ATOM 256 CE LYS A 52 27.485 -15.440 -20.112 1.00 0.00 C ATOM 257 NZ LYS A 52 28.916 -15.591 -20.430 1.00 0.00 N ATOM 0 H LYS A 52 24.291 -10.644 -17.759 1.00 0.00 H new ATOM 0 HA LYS A 52 26.133 -12.586 -16.968 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.214 -12.452 -18.819 1.00 0.00 H new ATOM 0 HB3 LYS A 52 25.528 -11.961 -19.869 1.00 0.00 H new ATOM 0 HG2 LYS A 52 25.522 -14.517 -18.187 1.00 0.00 H new ATOM 0 HG3 LYS A 52 25.119 -14.451 -19.891 1.00 0.00 H new ATOM 0 HD2 LYS A 52 27.482 -13.279 -20.154 1.00 0.00 H new ATOM 0 HD3 LYS A 52 27.813 -13.958 -18.573 1.00 0.00 H new ATOM 0 HE2 LYS A 52 27.173 -16.236 -19.436 1.00 0.00 H new ATOM 0 HE3 LYS A 52 26.894 -15.544 -21.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 29.079 -16.522 -20.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 29.205 -14.844 -21.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 29.476 -15.514 -19.557 1.00 0.00 H new ATOM 271 N LYS A 53 27.410 -10.335 -19.054 1.00 0.00 N ATOM 272 CA LYS A 53 28.652 -9.761 -19.550 1.00 0.00 C ATOM 273 C LYS A 53 29.482 -9.195 -18.395 1.00 0.00 C ATOM 274 O LYS A 53 30.673 -9.482 -18.290 1.00 0.00 O ATOM 275 CB LYS A 53 28.323 -8.667 -20.573 1.00 0.00 C ATOM 276 CG LYS A 53 27.698 -9.294 -21.827 1.00 0.00 C ATOM 277 CD LYS A 53 28.802 -9.694 -22.815 1.00 0.00 C ATOM 278 CE LYS A 53 28.259 -10.705 -23.832 1.00 0.00 C ATOM 279 NZ LYS A 53 27.007 -10.232 -24.449 1.00 0.00 N ATOM 0 H LYS A 53 26.570 -9.913 -19.450 1.00 0.00 H new ATOM 0 HA LYS A 53 29.245 -10.538 -20.033 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.635 -7.944 -20.136 1.00 0.00 H new ATOM 0 HB3 LYS A 53 29.229 -8.123 -20.841 1.00 0.00 H new ATOM 0 HG2 LYS A 53 27.109 -10.169 -21.552 1.00 0.00 H new ATOM 0 HG3 LYS A 53 27.016 -8.586 -22.297 1.00 0.00 H new ATOM 0 HD2 LYS A 53 29.175 -8.810 -23.333 1.00 0.00 H new ATOM 0 HD3 LYS A 53 29.645 -10.126 -22.275 1.00 0.00 H new ATOM 0 HE2 LYS A 53 29.005 -10.879 -24.608 1.00 0.00 H new ATOM 0 HE3 LYS A 53 28.084 -11.661 -23.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 26.864 -10.716 -25.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 26.208 -10.440 -23.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 27.065 -9.206 -24.608 1.00 0.00 H new ATOM 293 N LEU A 54 28.854 -8.388 -17.531 1.00 0.00 N ATOM 294 CA LEU A 54 29.546 -7.776 -16.403 1.00 0.00 C ATOM 295 C LEU A 54 30.152 -8.851 -15.499 1.00 0.00 C ATOM 296 O LEU A 54 31.297 -8.725 -15.079 1.00 0.00 O ATOM 297 CB LEU A 54 28.565 -6.900 -15.613 1.00 0.00 C ATOM 298 CG LEU A 54 28.242 -5.616 -16.395 1.00 0.00 C ATOM 299 CD1 LEU A 54 26.963 -4.989 -15.834 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.395 -4.616 -16.259 1.00 0.00 C ATOM 0 H LEU A 54 27.865 -8.147 -17.597 1.00 0.00 H new ATOM 0 HA LEU A 54 30.357 -7.153 -16.779 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.647 -7.455 -15.419 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.995 -6.645 -14.644 1.00 0.00 H new ATOM 0 HG LEU A 54 28.103 -5.864 -17.447 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.732 -4.078 -16.387 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.138 -5.694 -15.934 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.108 -4.748 -14.781 1.00 0.00 H new ATOM 0 HD21 LEU A 54 29.158 -3.709 -16.816 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.540 -4.368 -15.207 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.309 -5.058 -16.657 1.00 0.00 H new ATOM 312 N VAL A 55 29.386 -9.904 -15.200 1.00 0.00 N ATOM 313 CA VAL A 55 29.854 -10.987 -14.345 1.00 0.00 C ATOM 314 C VAL A 55 31.020 -11.712 -15.015 1.00 0.00 C ATOM 315 O VAL A 55 31.998 -12.042 -14.358 1.00 0.00 O ATOM 316 CB VAL A 55 28.690 -11.953 -14.058 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.227 -13.270 -13.489 1.00 0.00 C ATOM 318 CG2 VAL A 55 27.741 -11.319 -13.039 1.00 0.00 C ATOM 0 H VAL A 55 28.433 -10.025 -15.543 1.00 0.00 H new ATOM 0 HA VAL A 55 30.209 -10.582 -13.397 1.00 0.00 H new ATOM 0 HB VAL A 55 28.158 -12.152 -14.988 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.396 -13.946 -13.290 1.00 0.00 H new ATOM 0 HG12 VAL A 55 29.903 -13.729 -14.210 1.00 0.00 H new ATOM 0 HG13 VAL A 55 29.765 -13.073 -12.562 1.00 0.00 H new ATOM 0 HG21 VAL A 55 26.917 -12.002 -12.835 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.282 -11.117 -12.114 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.347 -10.385 -13.440 1.00 0.00 H new ATOM 328 N GLU A 56 30.913 -11.959 -16.323 1.00 0.00 N ATOM 329 CA GLU A 56 31.957 -12.649 -17.066 1.00 0.00 C ATOM 330 C GLU A 56 33.268 -11.855 -17.003 1.00 0.00 C ATOM 331 O GLU A 56 34.343 -12.438 -16.884 1.00 0.00 O ATOM 332 CB GLU A 56 31.497 -12.825 -18.521 1.00 0.00 C ATOM 333 CG GLU A 56 32.359 -13.877 -19.230 1.00 0.00 C ATOM 334 CD GLU A 56 32.085 -15.276 -18.685 1.00 0.00 C ATOM 335 OE1 GLU A 56 30.889 -15.641 -18.633 1.00 0.00 O ATOM 336 OE2 GLU A 56 33.072 -15.952 -18.334 1.00 0.00 O ATOM 0 H GLU A 56 30.108 -11.688 -16.887 1.00 0.00 H new ATOM 0 HA GLU A 56 32.138 -13.629 -16.624 1.00 0.00 H new ATOM 0 HB2 GLU A 56 30.450 -13.128 -18.544 1.00 0.00 H new ATOM 0 HB3 GLU A 56 31.566 -11.874 -19.049 1.00 0.00 H new ATOM 0 HG2 GLU A 56 32.156 -13.855 -20.301 1.00 0.00 H new ATOM 0 HG3 GLU A 56 33.414 -13.634 -19.100 1.00 0.00 H new ATOM 343 N GLN A 57 33.171 -10.523 -17.092 1.00 0.00 N ATOM 344 CA GLN A 57 34.341 -9.656 -17.090 1.00 0.00 C ATOM 345 C GLN A 57 34.865 -9.430 -15.667 1.00 0.00 C ATOM 346 O GLN A 57 35.987 -9.821 -15.350 1.00 0.00 O ATOM 347 CB GLN A 57 33.964 -8.316 -17.740 1.00 0.00 C ATOM 348 CG GLN A 57 33.709 -8.507 -19.241 1.00 0.00 C ATOM 349 CD GLN A 57 35.005 -8.807 -19.989 1.00 0.00 C ATOM 350 OE1 GLN A 57 35.776 -7.900 -20.283 1.00 0.00 O ATOM 351 NE2 GLN A 57 35.242 -10.083 -20.296 1.00 0.00 N ATOM 0 H GLN A 57 32.284 -10.025 -17.167 1.00 0.00 H new ATOM 0 HA GLN A 57 35.139 -10.135 -17.658 1.00 0.00 H new ATOM 0 HB2 GLN A 57 33.073 -7.910 -17.261 1.00 0.00 H new ATOM 0 HB3 GLN A 57 34.765 -7.592 -17.589 1.00 0.00 H new ATOM 0 HG2 GLN A 57 33.002 -9.323 -19.391 1.00 0.00 H new ATOM 0 HG3 GLN A 57 33.249 -7.608 -19.651 1.00 0.00 H new ATOM 0 HE21 GLN A 57 34.571 -10.804 -20.031 1.00 0.00 H new ATOM 0 HE22 GLN A 57 36.094 -10.338 -20.796 1.00 0.00 H new ATOM 360 N ASN A 58 34.059 -8.781 -14.820 1.00 0.00 N ATOM 361 CA ASN A 58 34.465 -8.433 -13.460 1.00 0.00 C ATOM 362 C ASN A 58 34.633 -9.677 -12.587 1.00 0.00 C ATOM 363 O ASN A 58 35.532 -9.722 -11.750 1.00 0.00 O ATOM 364 CB ASN A 58 33.419 -7.498 -12.842 1.00 0.00 C ATOM 365 CG ASN A 58 33.313 -6.193 -13.624 1.00 0.00 C ATOM 366 OD1 ASN A 58 34.086 -5.269 -13.399 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.352 -6.120 -14.545 1.00 0.00 N ATOM 0 H ASN A 58 33.113 -8.485 -15.059 1.00 0.00 H new ATOM 0 HA ASN A 58 35.431 -7.931 -13.509 1.00 0.00 H new ATOM 0 HB2 ASN A 58 32.449 -7.994 -12.825 1.00 0.00 H new ATOM 0 HB3 ASN A 58 33.685 -7.284 -11.807 1.00 0.00 H new ATOM 0 HD21 ASN A 58 32.238 -5.270 -15.096 1.00 0.00 H new ATOM 0 HD22 ASN A 58 31.731 -6.915 -14.698 1.00 0.00 H new ATOM 374 N GLY A 59 33.763 -10.675 -12.770 1.00 0.00 N ATOM 375 CA GLY A 59 33.790 -11.886 -11.960 1.00 0.00 C ATOM 376 C GLY A 59 32.764 -11.763 -10.835 1.00 0.00 C ATOM 377 O GLY A 59 32.283 -10.668 -10.551 1.00 0.00 O ATOM 0 H GLY A 59 33.029 -10.663 -13.478 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.567 -12.756 -12.578 1.00 0.00 H new ATOM 0 HA3 GLY A 59 34.786 -12.037 -11.544 1.00 0.00 H new ATOM 381 N THR A 60 32.426 -12.886 -10.192 1.00 0.00 N ATOM 382 CA THR A 60 31.444 -12.896 -9.112 1.00 0.00 C ATOM 383 C THR A 60 32.085 -12.451 -7.786 1.00 0.00 C ATOM 384 O THR A 60 31.584 -12.796 -6.717 1.00 0.00 O ATOM 385 CB THR A 60 30.862 -14.310 -8.982 1.00 0.00 C ATOM 386 OG1 THR A 60 31.913 -15.239 -8.814 1.00 0.00 O ATOM 387 CG2 THR A 60 30.069 -14.665 -10.242 1.00 0.00 C ATOM 0 H THR A 60 32.822 -13.801 -10.405 1.00 0.00 H new ATOM 0 HA THR A 60 30.645 -12.192 -9.345 1.00 0.00 H new ATOM 0 HB THR A 60 30.199 -14.345 -8.117 1.00 0.00 H new ATOM 0 HG1 THR A 60 31.541 -16.142 -8.729 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.659 -15.670 -10.143 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.255 -13.952 -10.372 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.728 -14.626 -11.110 1.00 0.00 H new ATOM 395 N ASP A 61 33.189 -11.690 -7.857 1.00 0.00 N ATOM 396 CA ASP A 61 33.881 -11.211 -6.671 1.00 0.00 C ATOM 397 C ASP A 61 33.317 -9.849 -6.258 1.00 0.00 C ATOM 398 O ASP A 61 32.483 -9.772 -5.355 1.00 0.00 O ATOM 399 CB ASP A 61 35.385 -11.135 -6.964 1.00 0.00 C ATOM 400 CG ASP A 61 36.148 -10.571 -5.771 1.00 0.00 C ATOM 401 OD1 ASP A 61 35.938 -11.103 -4.660 1.00 0.00 O ATOM 402 OD2 ASP A 61 36.927 -9.622 -5.995 1.00 0.00 O ATOM 0 H ASP A 61 33.617 -11.397 -8.735 1.00 0.00 H new ATOM 0 HA ASP A 61 33.727 -11.899 -5.840 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.763 -12.129 -7.204 1.00 0.00 H new ATOM 0 HB3 ASP A 61 35.557 -10.508 -7.839 1.00 0.00 H new ATOM 407 N ASP A 62 33.770 -8.774 -6.921 1.00 0.00 N ATOM 408 CA ASP A 62 33.309 -7.426 -6.618 1.00 0.00 C ATOM 409 C ASP A 62 31.911 -7.205 -7.194 1.00 0.00 C ATOM 410 O ASP A 62 31.753 -6.705 -8.310 1.00 0.00 O ATOM 411 CB ASP A 62 34.313 -6.391 -7.159 1.00 0.00 C ATOM 412 CG ASP A 62 34.835 -5.503 -6.035 1.00 0.00 C ATOM 413 OD1 ASP A 62 33.985 -4.836 -5.402 1.00 0.00 O ATOM 414 OD2 ASP A 62 36.068 -5.502 -5.833 1.00 0.00 O ATOM 0 H ASP A 62 34.458 -8.821 -7.672 1.00 0.00 H new ATOM 0 HA ASP A 62 33.247 -7.300 -5.537 1.00 0.00 H new ATOM 0 HB2 ASP A 62 35.146 -6.903 -7.640 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.833 -5.777 -7.921 1.00 0.00 H new ATOM 419 N TRP A 63 30.891 -7.572 -6.420 1.00 0.00 N ATOM 420 CA TRP A 63 29.510 -7.383 -6.824 1.00 0.00 C ATOM 421 C TRP A 63 29.160 -5.897 -6.796 1.00 0.00 C ATOM 422 O TRP A 63 28.264 -5.460 -7.515 1.00 0.00 O ATOM 423 CB TRP A 63 28.599 -8.181 -5.898 1.00 0.00 C ATOM 424 CG TRP A 63 28.508 -9.632 -6.239 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.945 -10.649 -5.478 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.950 -10.253 -7.434 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.714 -11.856 -6.092 1.00 0.00 N ATOM 428 CE2 TRP A 63 28.093 -11.672 -7.315 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.337 -9.767 -8.614 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.654 -12.553 -8.305 1.00 0.00 C ATOM 431 CZ3 TRP A 63 26.890 -10.653 -9.612 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.051 -12.042 -9.460 1.00 0.00 C ATOM 0 H TRP A 63 31.003 -8.005 -5.503 1.00 0.00 H new ATOM 0 HA TRP A 63 29.369 -7.743 -7.843 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.960 -8.081 -4.875 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.599 -7.748 -5.927 1.00 0.00 H new ATOM 0 HD1 TRP A 63 29.415 -10.533 -4.513 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.966 -12.763 -5.700 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.211 -8.703 -8.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 27.779 -13.619 -8.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.419 -10.263 -10.502 1.00 0.00 H new ATOM 0 HH2 TRP A 63 26.710 -12.714 -10.234 1.00 0.00 H new ATOM 443 N LYS A 64 29.874 -5.120 -5.972 1.00 0.00 N ATOM 444 CA LYS A 64 29.653 -3.688 -5.881 1.00 0.00 C ATOM 445 C LYS A 64 29.879 -3.051 -7.253 1.00 0.00 C ATOM 446 O LYS A 64 29.081 -2.228 -7.692 1.00 0.00 O ATOM 447 CB LYS A 64 30.606 -3.092 -4.840 1.00 0.00 C ATOM 448 CG LYS A 64 30.286 -1.607 -4.636 1.00 0.00 C ATOM 449 CD LYS A 64 31.374 -0.958 -3.775 1.00 0.00 C ATOM 450 CE LYS A 64 31.123 0.551 -3.666 1.00 0.00 C ATOM 451 NZ LYS A 64 31.341 1.228 -4.960 1.00 0.00 N ATOM 0 H LYS A 64 30.611 -5.470 -5.360 1.00 0.00 H new ATOM 0 HA LYS A 64 28.628 -3.487 -5.569 1.00 0.00 H new ATOM 0 HB2 LYS A 64 30.509 -3.628 -3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.639 -3.209 -5.169 1.00 0.00 H new ATOM 0 HG2 LYS A 64 30.223 -1.103 -5.600 1.00 0.00 H new ATOM 0 HG3 LYS A 64 29.314 -1.497 -4.155 1.00 0.00 H new ATOM 0 HD2 LYS A 64 31.380 -1.407 -2.782 1.00 0.00 H new ATOM 0 HD3 LYS A 64 32.355 -1.142 -4.214 1.00 0.00 H new ATOM 0 HE2 LYS A 64 30.102 0.728 -3.328 1.00 0.00 H new ATOM 0 HE3 LYS A 64 31.786 0.978 -2.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 31.432 2.252 -4.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 32.211 0.866 -5.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 30.533 1.043 -5.589 1.00 0.00 H new ATOM 465 N VAL A 65 30.971 -3.439 -7.927 1.00 0.00 N ATOM 466 CA VAL A 65 31.301 -2.907 -9.243 1.00 0.00 C ATOM 467 C VAL A 65 30.158 -3.192 -10.215 1.00 0.00 C ATOM 468 O VAL A 65 29.681 -2.290 -10.902 1.00 0.00 O ATOM 469 CB VAL A 65 32.606 -3.549 -9.736 1.00 0.00 C ATOM 470 CG1 VAL A 65 32.929 -3.053 -11.147 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.754 -3.177 -8.796 1.00 0.00 C ATOM 0 H VAL A 65 31.640 -4.124 -7.574 1.00 0.00 H new ATOM 0 HA VAL A 65 31.440 -1.828 -9.182 1.00 0.00 H new ATOM 0 HB VAL A 65 32.483 -4.632 -9.751 1.00 0.00 H new ATOM 0 HG11 VAL A 65 33.856 -3.512 -11.491 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.118 -3.324 -11.823 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.044 -1.969 -11.134 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.677 -3.635 -9.150 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.871 -2.093 -8.776 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.533 -3.537 -7.791 1.00 0.00 H new ATOM 481 N ILE A 66 29.724 -4.453 -10.267 1.00 0.00 N ATOM 482 CA ILE A 66 28.650 -4.871 -11.153 1.00 0.00 C ATOM 483 C ILE A 66 27.388 -4.055 -10.861 1.00 0.00 C ATOM 484 O ILE A 66 26.730 -3.576 -11.783 1.00 0.00 O ATOM 485 CB ILE A 66 28.406 -6.376 -10.960 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.645 -7.150 -11.444 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.175 -6.809 -11.764 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.632 -8.580 -10.910 1.00 0.00 C ATOM 0 H ILE A 66 30.109 -5.206 -9.696 1.00 0.00 H new ATOM 0 HA ILE A 66 28.924 -4.693 -12.193 1.00 0.00 H new ATOM 0 HB ILE A 66 28.230 -6.588 -9.905 1.00 0.00 H new ATOM 0 HG12 ILE A 66 29.668 -7.164 -12.534 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.550 -6.641 -11.112 1.00 0.00 H new ATOM 0 HG21 ILE A 66 27.006 -7.877 -11.624 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.302 -6.255 -11.419 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.340 -6.603 -12.822 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.517 -9.109 -11.264 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.633 -8.561 -9.820 1.00 0.00 H new ATOM 0 HD13 ILE A 66 28.737 -9.092 -11.264 1.00 0.00 H new ATOM 500 N ALA A 67 27.057 -3.896 -9.576 1.00 0.00 N ATOM 501 CA ALA A 67 25.883 -3.143 -9.169 1.00 0.00 C ATOM 502 C ALA A 67 26.016 -1.676 -9.583 1.00 0.00 C ATOM 503 O ALA A 67 25.040 -1.065 -9.997 1.00 0.00 O ATOM 504 CB ALA A 67 25.709 -3.259 -7.657 1.00 0.00 C ATOM 0 H ALA A 67 27.594 -4.284 -8.801 1.00 0.00 H new ATOM 0 HA ALA A 67 25.003 -3.554 -9.665 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.829 -2.695 -7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.583 -4.307 -7.385 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.591 -2.858 -7.157 1.00 0.00 H new ATOM 510 N ASN A 68 27.223 -1.110 -9.471 1.00 0.00 N ATOM 511 CA ASN A 68 27.453 0.285 -9.831 1.00 0.00 C ATOM 512 C ASN A 68 27.186 0.497 -11.325 1.00 0.00 C ATOM 513 O ASN A 68 26.780 1.585 -11.728 1.00 0.00 O ATOM 514 CB ASN A 68 28.888 0.690 -9.463 1.00 0.00 C ATOM 515 CG ASN A 68 28.962 1.199 -8.023 1.00 0.00 C ATOM 516 OD1 ASN A 68 29.457 2.294 -7.773 1.00 0.00 O ATOM 517 ND2 ASN A 68 28.471 0.402 -7.075 1.00 0.00 N ATOM 0 H ASN A 68 28.052 -1.600 -9.134 1.00 0.00 H new ATOM 0 HA ASN A 68 26.764 0.919 -9.272 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.553 -0.165 -9.585 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.237 1.465 -10.145 1.00 0.00 H new ATOM 0 HD21 ASN A 68 28.498 0.695 -6.098 1.00 0.00 H new ATOM 0 HD22 ASN A 68 28.068 -0.501 -7.326 1.00 0.00 H new ATOM 524 N TYR A 69 27.406 -0.542 -12.146 1.00 0.00 N ATOM 525 CA TYR A 69 27.162 -0.454 -13.582 1.00 0.00 C ATOM 526 C TYR A 69 25.666 -0.615 -13.884 1.00 0.00 C ATOM 527 O TYR A 69 25.223 -0.269 -14.978 1.00 0.00 O ATOM 528 CB TYR A 69 27.973 -1.534 -14.312 1.00 0.00 C ATOM 529 CG TYR A 69 29.423 -1.155 -14.542 1.00 0.00 C ATOM 530 CD1 TYR A 69 29.738 -0.024 -15.318 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.456 -1.938 -13.994 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.081 0.325 -15.541 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.798 -1.589 -14.221 1.00 0.00 C ATOM 534 CZ TYR A 69 32.111 -0.458 -14.992 1.00 0.00 C ATOM 535 OH TYR A 69 33.414 -0.121 -15.210 1.00 0.00 O ATOM 0 H TYR A 69 27.752 -1.449 -11.834 1.00 0.00 H new ATOM 0 HA TYR A 69 27.478 0.528 -13.934 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.935 -2.457 -13.734 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.504 -1.741 -15.274 1.00 0.00 H new ATOM 0 HD1 TYR A 69 28.947 0.576 -15.743 1.00 0.00 H new ATOM 0 HD2 TYR A 69 30.217 -2.807 -13.399 1.00 0.00 H new ATOM 0 HE1 TYR A 69 31.322 1.195 -16.134 1.00 0.00 H new ATOM 0 HE2 TYR A 69 32.590 -2.192 -13.802 1.00 0.00 H new ATOM 0 HH TYR A 69 33.998 -0.766 -14.759 1.00 0.00 H new ATOM 545 N LEU A 70 24.891 -1.139 -12.917 1.00 0.00 N ATOM 546 CA LEU A 70 23.455 -1.347 -13.087 1.00 0.00 C ATOM 547 C LEU A 70 22.693 -0.537 -12.030 1.00 0.00 C ATOM 548 O LEU A 70 22.497 -1.016 -10.918 1.00 0.00 O ATOM 549 CB LEU A 70 23.138 -2.842 -12.938 1.00 0.00 C ATOM 550 CG LEU A 70 23.825 -3.659 -14.044 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.687 -5.149 -13.723 1.00 0.00 C ATOM 552 CD2 LEU A 70 23.169 -3.372 -15.399 1.00 0.00 C ATOM 0 H LEU A 70 25.246 -1.426 -12.005 1.00 0.00 H new ATOM 0 HA LEU A 70 23.148 -1.014 -14.078 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.470 -3.193 -11.961 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.060 -2.996 -12.983 1.00 0.00 H new ATOM 0 HG LEU A 70 24.878 -3.381 -14.093 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.172 -5.736 -14.503 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.160 -5.360 -12.764 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.631 -5.414 -13.673 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.664 -3.957 -16.174 1.00 0.00 H new ATOM 0 HD22 LEU A 70 22.114 -3.644 -15.358 1.00 0.00 H new ATOM 0 HD23 LEU A 70 23.261 -2.311 -15.630 1.00 0.00 H new ATOM 564 N PRO A 71 22.256 0.694 -12.362 1.00 0.00 N ATOM 565 CA PRO A 71 21.536 1.537 -11.428 1.00 0.00 C ATOM 566 C PRO A 71 20.290 0.823 -10.890 1.00 0.00 C ATOM 567 O PRO A 71 19.708 -0.015 -11.578 1.00 0.00 O ATOM 568 CB PRO A 71 21.171 2.807 -12.204 1.00 0.00 C ATOM 569 CG PRO A 71 21.847 2.699 -13.577 1.00 0.00 C ATOM 570 CD PRO A 71 22.456 1.300 -13.662 1.00 0.00 C ATOM 0 HA PRO A 71 22.142 1.776 -10.554 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.090 2.897 -12.312 1.00 0.00 H new ATOM 0 HB3 PRO A 71 21.513 3.696 -11.674 1.00 0.00 H new ATOM 0 HG2 PRO A 71 21.123 2.855 -14.377 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.616 3.463 -13.690 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.975 0.713 -14.444 1.00 0.00 H new ATOM 0 HD3 PRO A 71 23.516 1.351 -13.909 1.00 0.00 H new ATOM 578 N ASN A 72 19.898 1.170 -9.651 1.00 0.00 N ATOM 579 CA ASN A 72 18.732 0.588 -8.967 1.00 0.00 C ATOM 580 C ASN A 72 19.029 -0.840 -8.494 1.00 0.00 C ATOM 581 O ASN A 72 18.103 -1.591 -8.189 1.00 0.00 O ATOM 582 CB ASN A 72 17.489 0.606 -9.871 1.00 0.00 C ATOM 583 CG ASN A 72 17.270 1.978 -10.499 1.00 0.00 C ATOM 584 OD1 ASN A 72 16.810 2.901 -9.834 1.00 0.00 O ATOM 585 ND2 ASN A 72 17.599 2.110 -11.785 1.00 0.00 N ATOM 0 H ASN A 72 20.387 1.869 -9.092 1.00 0.00 H new ATOM 0 HA ASN A 72 18.524 1.204 -8.092 1.00 0.00 H new ATOM 0 HB2 ASN A 72 17.600 -0.141 -10.657 1.00 0.00 H new ATOM 0 HB3 ASN A 72 16.611 0.328 -9.288 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.471 3.006 -12.255 1.00 0.00 H new ATOM 0 HD22 ASN A 72 17.978 1.315 -12.299 1.00 0.00 H new ATOM 592 N ARG A 73 20.317 -1.208 -8.426 1.00 0.00 N ATOM 593 CA ARG A 73 20.737 -2.533 -7.970 1.00 0.00 C ATOM 594 C ARG A 73 21.747 -2.381 -6.835 1.00 0.00 C ATOM 595 O ARG A 73 22.164 -1.272 -6.504 1.00 0.00 O ATOM 596 CB ARG A 73 21.369 -3.315 -9.126 1.00 0.00 C ATOM 597 CG ARG A 73 20.420 -3.390 -10.328 1.00 0.00 C ATOM 598 CD ARG A 73 19.206 -4.254 -9.983 1.00 0.00 C ATOM 599 NE ARG A 73 18.432 -4.560 -11.187 1.00 0.00 N ATOM 600 CZ ARG A 73 17.237 -5.164 -11.158 1.00 0.00 C ATOM 601 NH1 ARG A 73 16.673 -5.498 -9.989 1.00 0.00 N ATOM 602 NH2 ARG A 73 16.610 -5.436 -12.301 1.00 0.00 N ATOM 0 H ARG A 73 21.090 -0.596 -8.685 1.00 0.00 H new ATOM 0 HA ARG A 73 19.865 -3.081 -7.612 1.00 0.00 H new ATOM 0 HB2 ARG A 73 22.302 -2.837 -9.425 1.00 0.00 H new ATOM 0 HB3 ARG A 73 21.619 -4.322 -8.793 1.00 0.00 H new ATOM 0 HG2 ARG A 73 20.096 -2.388 -10.609 1.00 0.00 H new ATOM 0 HG3 ARG A 73 20.942 -3.809 -11.188 1.00 0.00 H new ATOM 0 HD2 ARG A 73 19.534 -5.180 -9.510 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.576 -3.734 -9.262 1.00 0.00 H new ATOM 0 HE ARG A 73 18.822 -4.300 -12.093 1.00 0.00 H new ATOM 0 HH11 ARG A 73 17.154 -5.292 -9.113 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.763 -5.958 -9.975 1.00 0.00 H new ATOM 0 HH21 ARG A 73 17.040 -5.185 -13.191 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.700 -5.896 -12.286 1.00 0.00 H new ATOM 616 N THR A 74 22.139 -3.513 -6.250 1.00 0.00 N ATOM 617 CA THR A 74 23.120 -3.555 -5.178 1.00 0.00 C ATOM 618 C THR A 74 23.740 -4.950 -5.161 1.00 0.00 C ATOM 619 O THR A 74 23.351 -5.805 -5.960 1.00 0.00 O ATOM 620 CB THR A 74 22.458 -3.195 -3.835 1.00 0.00 C ATOM 621 OG1 THR A 74 23.448 -3.100 -2.832 1.00 0.00 O ATOM 622 CG2 THR A 74 21.435 -4.259 -3.435 1.00 0.00 C ATOM 0 H THR A 74 21.779 -4.431 -6.512 1.00 0.00 H new ATOM 0 HA THR A 74 23.908 -2.820 -5.343 1.00 0.00 H new ATOM 0 HB THR A 74 21.946 -2.239 -3.945 1.00 0.00 H new ATOM 0 HG1 THR A 74 23.027 -2.869 -1.978 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.979 -3.986 -2.483 1.00 0.00 H new ATOM 0 HG22 THR A 74 20.663 -4.328 -4.201 1.00 0.00 H new ATOM 0 HG23 THR A 74 21.933 -5.223 -3.335 1.00 0.00 H new ATOM 630 N ASP A 75 24.702 -5.181 -4.266 1.00 0.00 N ATOM 631 CA ASP A 75 25.381 -6.465 -4.175 1.00 0.00 C ATOM 632 C ASP A 75 24.365 -7.590 -3.993 1.00 0.00 C ATOM 633 O ASP A 75 24.295 -8.491 -4.814 1.00 0.00 O ATOM 634 CB ASP A 75 26.376 -6.432 -3.005 1.00 0.00 C ATOM 635 CG ASP A 75 26.710 -7.844 -2.517 1.00 0.00 C ATOM 636 OD1 ASP A 75 27.027 -8.690 -3.381 1.00 0.00 O ATOM 637 OD2 ASP A 75 26.639 -8.047 -1.287 1.00 0.00 O ATOM 0 H ASP A 75 25.027 -4.488 -3.592 1.00 0.00 H new ATOM 0 HA ASP A 75 25.928 -6.653 -5.099 1.00 0.00 H new ATOM 0 HB2 ASP A 75 27.290 -5.927 -3.317 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.956 -5.851 -2.184 1.00 0.00 H new ATOM 642 N VAL A 76 23.587 -7.534 -2.911 1.00 0.00 N ATOM 643 CA VAL A 76 22.613 -8.574 -2.598 1.00 0.00 C ATOM 644 C VAL A 76 21.674 -8.825 -3.784 1.00 0.00 C ATOM 645 O VAL A 76 21.417 -9.972 -4.133 1.00 0.00 O ATOM 646 CB VAL A 76 21.816 -8.165 -1.348 1.00 0.00 C ATOM 647 CG1 VAL A 76 20.760 -9.230 -1.034 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.765 -8.027 -0.152 1.00 0.00 C ATOM 0 H VAL A 76 23.615 -6.772 -2.234 1.00 0.00 H new ATOM 0 HA VAL A 76 23.142 -9.506 -2.398 1.00 0.00 H new ATOM 0 HB VAL A 76 21.325 -7.210 -1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.198 -8.935 -0.148 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.079 -9.327 -1.879 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.251 -10.186 -0.851 1.00 0.00 H new ATOM 0 HG21 VAL A 76 22.197 -7.737 0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.260 -8.981 0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.514 -7.265 -0.368 1.00 0.00 H new ATOM 658 N GLN A 77 21.156 -7.752 -4.393 1.00 0.00 N ATOM 659 CA GLN A 77 20.212 -7.862 -5.498 1.00 0.00 C ATOM 660 C GLN A 77 20.856 -8.549 -6.707 1.00 0.00 C ATOM 661 O GLN A 77 20.334 -9.550 -7.197 1.00 0.00 O ATOM 662 CB GLN A 77 19.715 -6.457 -5.865 1.00 0.00 C ATOM 663 CG GLN A 77 18.752 -6.517 -7.059 1.00 0.00 C ATOM 664 CD GLN A 77 17.578 -7.452 -6.790 1.00 0.00 C ATOM 665 OE1 GLN A 77 17.293 -8.340 -7.591 1.00 0.00 O ATOM 666 NE2 GLN A 77 16.893 -7.252 -5.664 1.00 0.00 N ATOM 0 H GLN A 77 21.381 -6.792 -4.132 1.00 0.00 H new ATOM 0 HA GLN A 77 19.367 -8.478 -5.191 1.00 0.00 H new ATOM 0 HB2 GLN A 77 19.212 -6.008 -5.008 1.00 0.00 H new ATOM 0 HB3 GLN A 77 20.564 -5.817 -6.108 1.00 0.00 H new ATOM 0 HG2 GLN A 77 18.378 -5.516 -7.276 1.00 0.00 H new ATOM 0 HG3 GLN A 77 19.291 -6.855 -7.944 1.00 0.00 H new ATOM 0 HE21 GLN A 77 17.165 -6.503 -5.028 1.00 0.00 H new ATOM 0 HE22 GLN A 77 16.097 -7.848 -5.439 1.00 0.00 H new ATOM 675 N CYS A 78 21.980 -8.009 -7.194 1.00 0.00 N ATOM 676 CA CYS A 78 22.656 -8.568 -8.360 1.00 0.00 C ATOM 677 C CYS A 78 23.078 -10.008 -8.071 1.00 0.00 C ATOM 678 O CYS A 78 22.820 -10.911 -8.867 1.00 0.00 O ATOM 679 CB CYS A 78 23.888 -7.729 -8.704 1.00 0.00 C ATOM 680 SG CYS A 78 23.363 -6.205 -9.516 1.00 0.00 S ATOM 0 H CYS A 78 22.436 -7.188 -6.796 1.00 0.00 H new ATOM 0 HA CYS A 78 21.970 -8.556 -9.207 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.449 -7.498 -7.799 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.555 -8.292 -9.357 1.00 0.00 H new ATOM 0 HG CYS A 78 24.362 -5.698 -10.175 1.00 0.00 H new ATOM 686 N GLN A 79 23.733 -10.206 -6.922 1.00 0.00 N ATOM 687 CA GLN A 79 24.210 -11.509 -6.496 1.00 0.00 C ATOM 688 C GLN A 79 23.062 -12.514 -6.508 1.00 0.00 C ATOM 689 O GLN A 79 23.206 -13.602 -7.055 1.00 0.00 O ATOM 690 CB GLN A 79 24.819 -11.375 -5.094 1.00 0.00 C ATOM 691 CG GLN A 79 25.497 -12.682 -4.680 1.00 0.00 C ATOM 692 CD GLN A 79 25.990 -12.616 -3.234 1.00 0.00 C ATOM 693 OE1 GLN A 79 25.871 -13.592 -2.498 1.00 0.00 O ATOM 694 NE2 GLN A 79 26.542 -11.471 -2.823 1.00 0.00 N ATOM 0 H GLN A 79 23.944 -9.456 -6.263 1.00 0.00 H new ATOM 0 HA GLN A 79 24.975 -11.874 -7.181 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.545 -10.562 -5.082 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.041 -11.118 -4.375 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.796 -13.509 -4.790 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.337 -12.885 -5.344 1.00 0.00 H new ATOM 0 HE21 GLN A 79 26.622 -10.684 -3.466 1.00 0.00 H new ATOM 0 HE22 GLN A 79 26.884 -11.384 -1.866 1.00 0.00 H new ATOM 703 N HIS A 80 21.921 -12.146 -5.908 1.00 0.00 N ATOM 704 CA HIS A 80 20.755 -13.016 -5.873 1.00 0.00 C ATOM 705 C HIS A 80 20.327 -13.362 -7.289 1.00 0.00 C ATOM 706 O HIS A 80 20.197 -14.533 -7.621 1.00 0.00 O ATOM 707 CB HIS A 80 19.603 -12.329 -5.131 1.00 0.00 C ATOM 708 CG HIS A 80 19.605 -12.601 -3.651 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.593 -12.152 -2.813 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.467 -13.283 -2.827 1.00 0.00 C ATOM 711 CE1 HIS A 80 18.897 -12.578 -1.573 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.031 -13.277 -1.512 1.00 0.00 N ATOM 0 H HIS A 80 21.789 -11.248 -5.442 1.00 0.00 H new ATOM 0 HA HIS A 80 21.015 -13.933 -5.344 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.663 -11.253 -5.296 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.656 -12.664 -5.554 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.373 -13.765 -3.163 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.281 -12.373 -0.710 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.470 -13.703 -0.696 1.00 0.00 H new ATOM 720 N ARG A 81 20.101 -12.343 -8.125 1.00 0.00 N ATOM 721 CA ARG A 81 19.662 -12.568 -9.490 1.00 0.00 C ATOM 722 C ARG A 81 20.567 -13.590 -10.172 1.00 0.00 C ATOM 723 O ARG A 81 20.081 -14.456 -10.887 1.00 0.00 O ATOM 724 CB ARG A 81 19.653 -11.245 -10.268 1.00 0.00 C ATOM 725 CG ARG A 81 19.244 -11.488 -11.734 1.00 0.00 C ATOM 726 CD ARG A 81 17.856 -12.139 -11.795 1.00 0.00 C ATOM 727 NE ARG A 81 17.346 -12.185 -13.171 1.00 0.00 N ATOM 728 CZ ARG A 81 16.155 -12.723 -13.487 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.395 -13.276 -12.531 1.00 0.00 N ATOM 730 NH2 ARG A 81 15.726 -12.710 -14.753 1.00 0.00 N ATOM 0 H ARG A 81 20.217 -11.361 -7.874 1.00 0.00 H new ATOM 0 HA ARG A 81 18.647 -12.964 -9.475 1.00 0.00 H new ATOM 0 HB2 ARG A 81 18.959 -10.546 -9.801 1.00 0.00 H new ATOM 0 HB3 ARG A 81 20.641 -10.787 -10.230 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.235 -10.544 -12.278 1.00 0.00 H new ATOM 0 HG3 ARG A 81 19.977 -12.130 -12.222 1.00 0.00 H new ATOM 0 HD2 ARG A 81 17.909 -13.150 -11.391 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.162 -11.580 -11.167 1.00 0.00 H new ATOM 0 HE ARG A 81 17.919 -11.793 -13.918 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.720 -13.288 -11.564 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.491 -13.684 -12.770 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.303 -12.291 -15.483 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.822 -13.119 -14.989 1.00 0.00 H new ATOM 744 N TRP A 82 21.881 -13.493 -9.958 1.00 0.00 N ATOM 745 CA TRP A 82 22.804 -14.407 -10.594 1.00 0.00 C ATOM 746 C TRP A 82 22.859 -15.750 -9.853 1.00 0.00 C ATOM 747 O TRP A 82 22.347 -16.746 -10.344 1.00 0.00 O ATOM 748 CB TRP A 82 24.195 -13.781 -10.689 1.00 0.00 C ATOM 749 CG TRP A 82 25.146 -14.626 -11.467 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.034 -15.487 -10.948 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.277 -14.761 -12.912 1.00 0.00 C ATOM 752 NE1 TRP A 82 26.696 -16.166 -11.938 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.262 -15.759 -13.184 1.00 0.00 C ATOM 754 CE3 TRP A 82 24.652 -14.159 -14.029 1.00 0.00 C ATOM 755 CZ2 TRP A 82 26.597 -16.146 -14.482 1.00 0.00 C ATOM 756 CZ3 TRP A 82 24.993 -14.544 -15.342 1.00 0.00 C ATOM 757 CH2 TRP A 82 25.962 -15.541 -15.564 1.00 0.00 C ATOM 0 H TRP A 82 22.317 -12.796 -9.354 1.00 0.00 H new ATOM 0 HA TRP A 82 22.443 -14.602 -11.604 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.118 -12.800 -11.158 1.00 0.00 H new ATOM 0 HB3 TRP A 82 24.590 -13.625 -9.685 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.205 -15.627 -9.891 1.00 0.00 H new ATOM 0 HE1 TRP A 82 27.411 -16.875 -11.776 1.00 0.00 H new ATOM 0 HE3 TRP A 82 23.904 -13.395 -13.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 27.343 -16.909 -14.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 24.508 -14.071 -16.183 1.00 0.00 H new ATOM 0 HH2 TRP A 82 26.213 -15.836 -16.572 1.00 0.00 H new ATOM 768 N GLN A 83 23.500 -15.775 -8.682 1.00 0.00 N ATOM 769 CA GLN A 83 23.714 -17.007 -7.923 1.00 0.00 C ATOM 770 C GLN A 83 22.417 -17.798 -7.723 1.00 0.00 C ATOM 771 O GLN A 83 22.437 -19.026 -7.774 1.00 0.00 O ATOM 772 CB GLN A 83 24.333 -16.661 -6.561 1.00 0.00 C ATOM 773 CG GLN A 83 25.741 -16.069 -6.739 1.00 0.00 C ATOM 774 CD GLN A 83 26.790 -17.169 -6.893 1.00 0.00 C ATOM 775 OE1 GLN A 83 27.476 -17.509 -5.935 1.00 0.00 O ATOM 776 NE2 GLN A 83 26.916 -17.723 -8.100 1.00 0.00 N ATOM 0 H GLN A 83 23.884 -14.943 -8.235 1.00 0.00 H new ATOM 0 HA GLN A 83 24.391 -17.640 -8.496 1.00 0.00 H new ATOM 0 HB2 GLN A 83 23.697 -15.948 -6.037 1.00 0.00 H new ATOM 0 HB3 GLN A 83 24.385 -17.556 -5.942 1.00 0.00 H new ATOM 0 HG2 GLN A 83 25.758 -15.422 -7.616 1.00 0.00 H new ATOM 0 HG3 GLN A 83 25.987 -15.446 -5.879 1.00 0.00 H new ATOM 0 HE21 GLN A 83 26.324 -17.409 -8.869 1.00 0.00 H new ATOM 0 HE22 GLN A 83 27.604 -18.460 -8.253 1.00 0.00 H new ATOM 785 N LYS A 84 21.300 -17.108 -7.480 1.00 0.00 N ATOM 786 CA LYS A 84 20.034 -17.775 -7.201 1.00 0.00 C ATOM 787 C LYS A 84 19.309 -18.193 -8.491 1.00 0.00 C ATOM 788 O LYS A 84 18.345 -18.954 -8.416 1.00 0.00 O ATOM 789 CB LYS A 84 19.155 -16.841 -6.357 1.00 0.00 C ATOM 790 CG LYS A 84 18.288 -17.659 -5.398 1.00 0.00 C ATOM 791 CD LYS A 84 17.512 -16.708 -4.481 1.00 0.00 C ATOM 792 CE LYS A 84 16.626 -17.507 -3.520 1.00 0.00 C ATOM 793 NZ LYS A 84 17.436 -18.304 -2.580 1.00 0.00 N ATOM 0 H LYS A 84 21.250 -16.089 -7.472 1.00 0.00 H new ATOM 0 HA LYS A 84 20.237 -18.691 -6.646 1.00 0.00 H new ATOM 0 HB2 LYS A 84 19.782 -16.150 -5.793 1.00 0.00 H new ATOM 0 HB3 LYS A 84 18.522 -16.238 -7.008 1.00 0.00 H new ATOM 0 HG2 LYS A 84 17.596 -18.286 -5.960 1.00 0.00 H new ATOM 0 HG3 LYS A 84 18.913 -18.326 -4.804 1.00 0.00 H new ATOM 0 HD2 LYS A 84 18.208 -16.088 -3.916 1.00 0.00 H new ATOM 0 HD3 LYS A 84 16.898 -16.035 -5.079 1.00 0.00 H new ATOM 0 HE2 LYS A 84 15.984 -16.825 -2.962 1.00 0.00 H new ATOM 0 HE3 LYS A 84 15.972 -18.167 -4.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 16.830 -18.656 -1.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 17.860 -19.109 -3.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 18.190 -17.709 -2.181 1.00 0.00 H new ATOM 807 N VAL A 85 19.755 -17.708 -9.669 1.00 0.00 N ATOM 808 CA VAL A 85 19.106 -18.055 -10.937 1.00 0.00 C ATOM 809 C VAL A 85 20.159 -18.375 -12.015 1.00 0.00 C ATOM 810 O VAL A 85 20.347 -19.543 -12.354 1.00 0.00 O ATOM 811 CB VAL A 85 18.167 -16.914 -11.383 1.00 0.00 C ATOM 812 CG1 VAL A 85 17.212 -17.432 -12.462 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.348 -16.394 -10.191 1.00 0.00 C ATOM 0 H VAL A 85 20.555 -17.081 -9.762 1.00 0.00 H new ATOM 0 HA VAL A 85 18.502 -18.951 -10.793 1.00 0.00 H new ATOM 0 HB VAL A 85 18.772 -16.099 -11.780 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.548 -16.627 -12.778 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.787 -17.785 -13.318 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.620 -18.254 -12.060 1.00 0.00 H new ATOM 0 HG21 VAL A 85 16.692 -15.590 -10.524 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.748 -17.206 -9.780 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.023 -16.017 -9.423 1.00 0.00 H new ATOM 823 N LEU A 86 20.842 -17.350 -12.559 1.00 0.00 N ATOM 824 CA LEU A 86 21.850 -17.564 -13.599 1.00 0.00 C ATOM 825 C LEU A 86 23.090 -18.211 -12.991 1.00 0.00 C ATOM 826 O LEU A 86 23.938 -17.522 -12.431 1.00 0.00 O ATOM 827 CB LEU A 86 22.264 -16.233 -14.254 1.00 0.00 C ATOM 828 CG LEU A 86 21.151 -15.608 -15.116 1.00 0.00 C ATOM 829 CD1 LEU A 86 20.483 -16.666 -15.993 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.111 -14.927 -14.228 1.00 0.00 C ATOM 0 H LEU A 86 20.711 -16.374 -12.294 1.00 0.00 H new ATOM 0 HA LEU A 86 21.414 -18.214 -14.357 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.551 -15.526 -13.475 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.145 -16.399 -14.874 1.00 0.00 H new ATOM 0 HG LEU A 86 21.604 -14.860 -15.766 1.00 0.00 H new ATOM 0 HD11 LEU A 86 19.701 -16.201 -16.592 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.226 -17.115 -16.652 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.045 -17.439 -15.361 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.331 -14.490 -14.851 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.669 -15.662 -13.556 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.590 -14.142 -13.643 1.00 0.00 H new