USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 372 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 77 GLN : amide:sc= 0.546 K(o=0.55,f=-3.2!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 169:sc= 1.07 (180deg=0.824) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 130:sc= 1.22 (180deg=0.694) USER MOD Single : A 57 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.28) USER MOD Single : A 58 ASN : amide:sc= 0.837 K(o=0.84,f=-0.57) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -132:sc= 0.847 (180deg=-2.09) USER MOD Single : A 68 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 1.91 K(o=1.9,f=-4.5!) USER MOD Single : A 78 CYS SG : rot 89:sc= 0.149 USER MOD Single : A 79 GLN : amide:sc= 0.115 X(o=0.12,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.0788 X(o=-0.079,f=0) USER MOD Single : A 83 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.2) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.013 -8.867 -13.096 1.00 0.00 N ATOM 90 CA TRP A 43 14.176 -8.802 -13.987 1.00 0.00 C ATOM 91 C TRP A 43 13.731 -8.837 -15.456 1.00 0.00 C ATOM 92 O TRP A 43 12.575 -9.140 -15.760 1.00 0.00 O ATOM 93 CB TRP A 43 15.169 -9.938 -13.672 1.00 0.00 C ATOM 94 CG TRP A 43 16.083 -9.660 -12.520 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.781 -9.817 -11.221 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.456 -9.171 -12.539 1.00 0.00 C ATOM 97 NE1 TRP A 43 16.839 -9.459 -10.421 1.00 0.00 N ATOM 98 CE2 TRP A 43 17.913 -9.046 -11.188 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.367 -8.817 -13.557 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.195 -8.590 -10.870 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.662 -8.353 -13.242 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.071 -8.237 -11.903 1.00 0.00 C ATOM 0 HA TRP A 43 14.692 -7.857 -13.817 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.606 -10.848 -13.462 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.772 -10.133 -14.559 1.00 0.00 H new ATOM 0 HD1 TRP A 43 14.831 -10.177 -10.854 1.00 0.00 H new ATOM 0 HE1 TRP A 43 16.833 -9.493 -9.402 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.069 -8.902 -14.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.506 -8.511 -9.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.343 -8.085 -14.036 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.062 -7.875 -11.671 1.00 0.00 H new ATOM 113 N THR A 44 14.661 -8.511 -16.365 1.00 0.00 N ATOM 114 CA THR A 44 14.387 -8.479 -17.797 1.00 0.00 C ATOM 115 C THR A 44 15.592 -9.045 -18.548 1.00 0.00 C ATOM 116 O THR A 44 16.716 -8.957 -18.062 1.00 0.00 O ATOM 117 CB THR A 44 14.108 -7.027 -18.225 1.00 0.00 C ATOM 118 OG1 THR A 44 13.141 -6.454 -17.367 1.00 0.00 O ATOM 119 CG2 THR A 44 13.582 -6.992 -19.662 1.00 0.00 C ATOM 0 H THR A 44 15.620 -8.264 -16.122 1.00 0.00 H new ATOM 0 HA THR A 44 13.512 -9.086 -18.031 1.00 0.00 H new ATOM 0 HB THR A 44 15.038 -6.461 -18.166 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.967 -5.529 -17.641 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.388 -5.960 -19.953 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.325 -7.425 -20.332 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.658 -7.566 -19.725 1.00 0.00 H new ATOM 127 N ARG A 45 15.349 -9.625 -19.735 1.00 0.00 N ATOM 128 CA ARG A 45 16.406 -10.213 -20.559 1.00 0.00 C ATOM 129 C ARG A 45 17.571 -9.236 -20.727 1.00 0.00 C ATOM 130 O ARG A 45 18.728 -9.632 -20.649 1.00 0.00 O ATOM 131 CB ARG A 45 15.828 -10.581 -21.931 1.00 0.00 C ATOM 132 CG ARG A 45 16.830 -11.453 -22.711 1.00 0.00 C ATOM 133 CD ARG A 45 17.028 -10.915 -24.139 1.00 0.00 C ATOM 134 NE ARG A 45 18.247 -10.084 -24.238 1.00 0.00 N ATOM 135 CZ ARG A 45 18.245 -8.737 -24.330 1.00 0.00 C ATOM 136 NH1 ARG A 45 17.117 -8.031 -24.181 1.00 0.00 N ATOM 137 NH2 ARG A 45 19.387 -8.093 -24.572 1.00 0.00 N ATOM 0 H ARG A 45 14.418 -9.697 -20.145 1.00 0.00 H new ATOM 0 HA ARG A 45 16.784 -11.108 -20.065 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.887 -11.118 -21.806 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.606 -9.675 -22.495 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.787 -11.471 -22.189 1.00 0.00 H new ATOM 0 HG3 ARG A 45 16.470 -12.481 -22.752 1.00 0.00 H new ATOM 0 HD2 ARG A 45 17.097 -11.749 -24.837 1.00 0.00 H new ATOM 0 HD3 ARG A 45 16.159 -10.325 -24.431 1.00 0.00 H new ATOM 0 HE ARG A 45 19.149 -10.560 -24.237 1.00 0.00 H new ATOM 0 HH11 ARG A 45 16.236 -8.510 -23.994 1.00 0.00 H new ATOM 0 HH12 ARG A 45 17.138 -7.014 -24.254 1.00 0.00 H new ATOM 0 HH21 ARG A 45 20.254 -8.618 -24.686 1.00 0.00 H new ATOM 0 HH22 ARG A 45 19.394 -7.075 -24.643 1.00 0.00 H new ATOM 151 N GLU A 46 17.257 -7.961 -20.969 1.00 0.00 N ATOM 152 CA GLU A 46 18.267 -6.937 -21.176 1.00 0.00 C ATOM 153 C GLU A 46 19.178 -6.825 -19.952 1.00 0.00 C ATOM 154 O GLU A 46 20.403 -6.818 -20.084 1.00 0.00 O ATOM 155 CB GLU A 46 17.562 -5.602 -21.461 1.00 0.00 C ATOM 156 CG GLU A 46 18.560 -4.583 -22.020 1.00 0.00 C ATOM 157 CD GLU A 46 19.153 -5.061 -23.340 1.00 0.00 C ATOM 158 OE1 GLU A 46 18.369 -5.584 -24.164 1.00 0.00 O ATOM 159 OE2 GLU A 46 20.381 -4.901 -23.498 1.00 0.00 O ATOM 0 H GLU A 46 16.298 -7.617 -21.026 1.00 0.00 H new ATOM 0 HA GLU A 46 18.894 -7.204 -22.026 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.751 -5.756 -22.173 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.113 -5.217 -20.545 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.062 -3.625 -22.168 1.00 0.00 H new ATOM 0 HG3 GLU A 46 19.359 -4.418 -21.297 1.00 0.00 H new ATOM 166 N GLU A 47 18.575 -6.733 -18.765 1.00 0.00 N ATOM 167 CA GLU A 47 19.323 -6.588 -17.527 1.00 0.00 C ATOM 168 C GLU A 47 20.113 -7.867 -17.236 1.00 0.00 C ATOM 169 O GLU A 47 21.261 -7.796 -16.808 1.00 0.00 O ATOM 170 CB GLU A 47 18.348 -6.273 -16.384 1.00 0.00 C ATOM 171 CG GLU A 47 18.685 -4.909 -15.776 1.00 0.00 C ATOM 172 CD GLU A 47 17.677 -4.523 -14.700 1.00 0.00 C ATOM 173 OE1 GLU A 47 16.520 -5.001 -14.797 1.00 0.00 O ATOM 174 OE2 GLU A 47 18.077 -3.759 -13.796 1.00 0.00 O ATOM 0 H GLU A 47 17.563 -6.757 -18.641 1.00 0.00 H new ATOM 0 HA GLU A 47 20.035 -5.768 -17.620 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.324 -6.272 -16.757 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.408 -7.047 -15.619 1.00 0.00 H new ATOM 0 HG2 GLU A 47 19.687 -4.936 -15.347 1.00 0.00 H new ATOM 0 HG3 GLU A 47 18.694 -4.151 -16.559 1.00 0.00 H new ATOM 181 N ASP A 48 19.497 -9.033 -17.470 1.00 0.00 N ATOM 182 CA ASP A 48 20.145 -10.318 -17.232 1.00 0.00 C ATOM 183 C ASP A 48 21.355 -10.477 -18.150 1.00 0.00 C ATOM 184 O ASP A 48 22.410 -10.928 -17.711 1.00 0.00 O ATOM 185 CB ASP A 48 19.139 -11.452 -17.469 1.00 0.00 C ATOM 186 CG ASP A 48 18.190 -11.603 -16.286 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.700 -11.633 -15.149 1.00 0.00 O ATOM 188 OD2 ASP A 48 16.969 -11.692 -16.537 1.00 0.00 O ATOM 0 H ASP A 48 18.544 -9.107 -17.826 1.00 0.00 H new ATOM 0 HA ASP A 48 20.491 -10.360 -16.199 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.567 -11.251 -18.374 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.674 -12.388 -17.632 1.00 0.00 H new ATOM 193 N GLU A 49 21.203 -10.107 -19.424 1.00 0.00 N ATOM 194 CA GLU A 49 22.287 -10.199 -20.388 1.00 0.00 C ATOM 195 C GLU A 49 23.440 -9.306 -19.938 1.00 0.00 C ATOM 196 O GLU A 49 24.596 -9.732 -19.932 1.00 0.00 O ATOM 197 CB GLU A 49 21.774 -9.780 -21.767 1.00 0.00 C ATOM 198 CG GLU A 49 22.852 -10.038 -22.822 1.00 0.00 C ATOM 199 CD GLU A 49 22.405 -9.529 -24.182 1.00 0.00 C ATOM 200 OE1 GLU A 49 21.327 -9.978 -24.631 1.00 0.00 O ATOM 201 OE2 GLU A 49 23.146 -8.697 -24.748 1.00 0.00 O ATOM 0 H GLU A 49 20.332 -9.740 -19.807 1.00 0.00 H new ATOM 0 HA GLU A 49 22.649 -11.225 -20.451 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.870 -10.337 -22.014 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.505 -8.724 -21.759 1.00 0.00 H new ATOM 0 HG2 GLU A 49 23.779 -9.544 -22.530 1.00 0.00 H new ATOM 0 HG3 GLU A 49 23.064 -11.106 -22.879 1.00 0.00 H new ATOM 208 N LYS A 50 23.121 -8.065 -19.554 1.00 0.00 N ATOM 209 CA LYS A 50 24.123 -7.127 -19.081 1.00 0.00 C ATOM 210 C LYS A 50 24.801 -7.688 -17.832 1.00 0.00 C ATOM 211 O LYS A 50 26.017 -7.593 -17.697 1.00 0.00 O ATOM 212 CB LYS A 50 23.460 -5.778 -18.790 1.00 0.00 C ATOM 213 CG LYS A 50 23.224 -5.030 -20.105 1.00 0.00 C ATOM 214 CD LYS A 50 22.290 -3.840 -19.863 1.00 0.00 C ATOM 215 CE LYS A 50 22.412 -2.833 -21.014 1.00 0.00 C ATOM 216 NZ LYS A 50 22.275 -3.491 -22.328 1.00 0.00 N ATOM 0 H LYS A 50 22.171 -7.694 -19.565 1.00 0.00 H new ATOM 0 HA LYS A 50 24.885 -6.979 -19.846 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.514 -5.930 -18.271 1.00 0.00 H new ATOM 0 HB3 LYS A 50 24.093 -5.185 -18.130 1.00 0.00 H new ATOM 0 HG2 LYS A 50 24.174 -4.682 -20.512 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.788 -5.702 -20.844 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.260 -4.187 -19.780 1.00 0.00 H new ATOM 0 HD3 LYS A 50 22.541 -3.357 -18.919 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.646 -2.065 -20.909 1.00 0.00 H new ATOM 0 HE3 LYS A 50 23.377 -2.330 -20.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 22.176 -2.768 -23.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 23.120 -4.067 -22.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.433 -4.101 -22.324 1.00 0.00 H new ATOM 230 N LEU A 51 24.014 -8.280 -16.922 1.00 0.00 N ATOM 231 CA LEU A 51 24.550 -8.858 -15.701 1.00 0.00 C ATOM 232 C LEU A 51 25.543 -9.964 -16.051 1.00 0.00 C ATOM 233 O LEU A 51 26.636 -9.999 -15.508 1.00 0.00 O ATOM 234 CB LEU A 51 23.402 -9.403 -14.838 1.00 0.00 C ATOM 235 CG LEU A 51 23.928 -9.823 -13.455 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.142 -8.585 -12.581 1.00 0.00 C ATOM 237 CD2 LEU A 51 22.913 -10.745 -12.778 1.00 0.00 C ATOM 0 H LEU A 51 23.002 -8.367 -17.018 1.00 0.00 H new ATOM 0 HA LEU A 51 25.074 -8.092 -15.130 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.630 -8.642 -14.725 1.00 0.00 H new ATOM 0 HB3 LEU A 51 22.939 -10.256 -15.333 1.00 0.00 H new ATOM 0 HG LEU A 51 24.875 -10.347 -13.580 1.00 0.00 H new ATOM 0 HD11 LEU A 51 24.515 -8.890 -11.603 1.00 0.00 H new ATOM 0 HD12 LEU A 51 24.868 -7.925 -13.056 1.00 0.00 H new ATOM 0 HD13 LEU A 51 23.196 -8.057 -12.460 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.288 -11.041 -11.798 1.00 0.00 H new ATOM 0 HD22 LEU A 51 21.966 -10.219 -12.660 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.761 -11.633 -13.392 1.00 0.00 H new ATOM 249 N LYS A 52 25.155 -10.863 -16.965 1.00 0.00 N ATOM 250 CA LYS A 52 26.012 -11.961 -17.394 1.00 0.00 C ATOM 251 C LYS A 52 27.344 -11.417 -17.914 1.00 0.00 C ATOM 252 O LYS A 52 28.408 -11.874 -17.500 1.00 0.00 O ATOM 253 CB LYS A 52 25.286 -12.758 -18.487 1.00 0.00 C ATOM 254 CG LYS A 52 26.145 -13.948 -18.939 1.00 0.00 C ATOM 255 CD LYS A 52 25.561 -14.565 -20.217 1.00 0.00 C ATOM 256 CE LYS A 52 24.174 -15.156 -19.939 1.00 0.00 C ATOM 257 NZ LYS A 52 23.658 -15.869 -21.121 1.00 0.00 N ATOM 0 H LYS A 52 24.243 -10.845 -17.422 1.00 0.00 H new ATOM 0 HA LYS A 52 26.224 -12.618 -16.550 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.328 -13.115 -18.110 1.00 0.00 H new ATOM 0 HB3 LYS A 52 25.073 -12.111 -19.338 1.00 0.00 H new ATOM 0 HG2 LYS A 52 27.169 -13.620 -19.119 1.00 0.00 H new ATOM 0 HG3 LYS A 52 26.185 -14.698 -18.149 1.00 0.00 H new ATOM 0 HD2 LYS A 52 25.490 -13.806 -20.996 1.00 0.00 H new ATOM 0 HD3 LYS A 52 26.227 -15.343 -20.590 1.00 0.00 H new ATOM 0 HE2 LYS A 52 24.229 -15.840 -19.092 1.00 0.00 H new ATOM 0 HE3 LYS A 52 23.484 -14.359 -19.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 22.718 -16.260 -20.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 23.585 -15.208 -21.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 24.306 -16.643 -21.370 1.00 0.00 H new ATOM 271 N LYS A 53 27.280 -10.446 -18.828 1.00 0.00 N ATOM 272 CA LYS A 53 28.474 -9.863 -19.423 1.00 0.00 C ATOM 273 C LYS A 53 29.350 -9.216 -18.345 1.00 0.00 C ATOM 274 O LYS A 53 30.564 -9.403 -18.345 1.00 0.00 O ATOM 275 CB LYS A 53 28.055 -8.842 -20.486 1.00 0.00 C ATOM 276 CG LYS A 53 27.521 -9.583 -21.717 1.00 0.00 C ATOM 277 CD LYS A 53 26.881 -8.591 -22.692 1.00 0.00 C ATOM 278 CE LYS A 53 26.544 -9.312 -24.002 1.00 0.00 C ATOM 279 NZ LYS A 53 25.791 -8.436 -24.918 1.00 0.00 N ATOM 0 H LYS A 53 26.406 -10.048 -19.171 1.00 0.00 H new ATOM 0 HA LYS A 53 29.067 -10.645 -19.898 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.289 -8.177 -20.087 1.00 0.00 H new ATOM 0 HB3 LYS A 53 28.905 -8.218 -20.763 1.00 0.00 H new ATOM 0 HG2 LYS A 53 28.333 -10.117 -22.210 1.00 0.00 H new ATOM 0 HG3 LYS A 53 26.788 -10.329 -21.412 1.00 0.00 H new ATOM 0 HD2 LYS A 53 25.977 -8.166 -22.255 1.00 0.00 H new ATOM 0 HD3 LYS A 53 27.562 -7.762 -22.885 1.00 0.00 H new ATOM 0 HE2 LYS A 53 27.464 -9.642 -24.485 1.00 0.00 H new ATOM 0 HE3 LYS A 53 25.959 -10.206 -23.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 26.236 -8.452 -25.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 24.810 -8.773 -24.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 25.795 -7.463 -24.550 1.00 0.00 H new ATOM 293 N LEU A 54 28.736 -8.458 -17.429 1.00 0.00 N ATOM 294 CA LEU A 54 29.471 -7.792 -16.359 1.00 0.00 C ATOM 295 C LEU A 54 30.075 -8.827 -15.406 1.00 0.00 C ATOM 296 O LEU A 54 31.182 -8.636 -14.911 1.00 0.00 O ATOM 297 CB LEU A 54 28.532 -6.843 -15.604 1.00 0.00 C ATOM 298 CG LEU A 54 28.172 -5.631 -16.481 1.00 0.00 C ATOM 299 CD1 LEU A 54 26.953 -4.921 -15.887 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.351 -4.652 -16.534 1.00 0.00 C ATOM 0 H LEU A 54 27.730 -8.293 -17.412 1.00 0.00 H new ATOM 0 HA LEU A 54 30.287 -7.211 -16.790 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.624 -7.373 -15.316 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.009 -6.505 -14.684 1.00 0.00 H new ATOM 0 HG LEU A 54 27.946 -5.975 -17.490 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.695 -4.062 -16.506 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.110 -5.611 -15.855 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.185 -4.584 -14.877 1.00 0.00 H new ATOM 0 HD21 LEU A 54 29.087 -3.798 -17.157 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.584 -4.308 -15.526 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.222 -5.154 -16.956 1.00 0.00 H new ATOM 312 N VAL A 55 29.354 -9.922 -15.153 1.00 0.00 N ATOM 313 CA VAL A 55 29.839 -10.983 -14.282 1.00 0.00 C ATOM 314 C VAL A 55 31.092 -11.601 -14.899 1.00 0.00 C ATOM 315 O VAL A 55 32.072 -11.849 -14.198 1.00 0.00 O ATOM 316 CB VAL A 55 28.723 -12.031 -14.090 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.316 -13.395 -13.719 1.00 0.00 C ATOM 318 CG2 VAL A 55 27.788 -11.570 -12.970 1.00 0.00 C ATOM 0 H VAL A 55 28.428 -10.093 -15.544 1.00 0.00 H new ATOM 0 HA VAL A 55 30.103 -10.586 -13.302 1.00 0.00 H new ATOM 0 HB VAL A 55 28.173 -12.131 -15.026 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.511 -14.118 -13.589 1.00 0.00 H new ATOM 0 HG12 VAL A 55 29.981 -13.731 -14.515 1.00 0.00 H new ATOM 0 HG13 VAL A 55 29.878 -13.307 -12.790 1.00 0.00 H new ATOM 0 HG21 VAL A 55 26.997 -12.307 -12.830 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.354 -11.464 -12.044 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.346 -10.610 -13.237 1.00 0.00 H new ATOM 328 N GLU A 56 31.057 -11.839 -16.216 1.00 0.00 N ATOM 329 CA GLU A 56 32.177 -12.430 -16.932 1.00 0.00 C ATOM 330 C GLU A 56 33.197 -11.348 -17.326 1.00 0.00 C ATOM 331 O GLU A 56 33.875 -11.476 -18.344 1.00 0.00 O ATOM 332 CB GLU A 56 31.636 -13.155 -18.174 1.00 0.00 C ATOM 333 CG GLU A 56 32.516 -14.366 -18.503 1.00 0.00 C ATOM 334 CD GLU A 56 32.275 -15.501 -17.513 1.00 0.00 C ATOM 335 OE1 GLU A 56 31.180 -16.101 -17.594 1.00 0.00 O ATOM 336 OE2 GLU A 56 33.188 -15.746 -16.695 1.00 0.00 O ATOM 0 H GLU A 56 30.253 -11.626 -16.806 1.00 0.00 H new ATOM 0 HA GLU A 56 32.692 -13.145 -16.290 1.00 0.00 H new ATOM 0 HB2 GLU A 56 30.610 -13.479 -17.998 1.00 0.00 H new ATOM 0 HB3 GLU A 56 31.613 -12.471 -19.023 1.00 0.00 H new ATOM 0 HG2 GLU A 56 32.304 -14.710 -19.515 1.00 0.00 H new ATOM 0 HG3 GLU A 56 33.566 -14.074 -18.479 1.00 0.00 H new ATOM 343 N GLN A 57 33.305 -10.284 -16.515 1.00 0.00 N ATOM 344 CA GLN A 57 34.245 -9.201 -16.772 1.00 0.00 C ATOM 345 C GLN A 57 34.825 -8.699 -15.451 1.00 0.00 C ATOM 346 O GLN A 57 36.039 -8.695 -15.264 1.00 0.00 O ATOM 347 CB GLN A 57 33.516 -8.069 -17.513 1.00 0.00 C ATOM 348 CG GLN A 57 34.506 -6.967 -17.913 1.00 0.00 C ATOM 349 CD GLN A 57 35.578 -7.500 -18.860 1.00 0.00 C ATOM 350 OE1 GLN A 57 36.763 -7.459 -18.544 1.00 0.00 O ATOM 351 NE2 GLN A 57 35.158 -8.000 -20.022 1.00 0.00 N ATOM 0 H GLN A 57 32.745 -10.158 -15.672 1.00 0.00 H new ATOM 0 HA GLN A 57 35.067 -9.558 -17.393 1.00 0.00 H new ATOM 0 HB2 GLN A 57 33.024 -8.465 -18.402 1.00 0.00 H new ATOM 0 HB3 GLN A 57 32.736 -7.652 -16.876 1.00 0.00 H new ATOM 0 HG2 GLN A 57 33.968 -6.149 -18.393 1.00 0.00 H new ATOM 0 HG3 GLN A 57 34.978 -6.558 -17.020 1.00 0.00 H new ATOM 0 HE21 GLN A 57 34.162 -8.013 -20.241 1.00 0.00 H new ATOM 0 HE22 GLN A 57 35.833 -8.370 -20.692 1.00 0.00 H new ATOM 360 N ASN A 58 33.946 -8.271 -14.544 1.00 0.00 N ATOM 361 CA ASN A 58 34.346 -7.737 -13.251 1.00 0.00 C ATOM 362 C ASN A 58 34.578 -8.873 -12.254 1.00 0.00 C ATOM 363 O ASN A 58 35.359 -8.719 -11.317 1.00 0.00 O ATOM 364 CB ASN A 58 33.255 -6.788 -12.743 1.00 0.00 C ATOM 365 CG ASN A 58 32.987 -5.673 -13.752 1.00 0.00 C ATOM 366 OD1 ASN A 58 33.575 -4.600 -13.667 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.097 -5.933 -14.712 1.00 0.00 N ATOM 0 H ASN A 58 32.937 -8.287 -14.690 1.00 0.00 H new ATOM 0 HA ASN A 58 35.281 -7.187 -13.357 1.00 0.00 H new ATOM 0 HB2 ASN A 58 32.337 -7.347 -12.561 1.00 0.00 H new ATOM 0 HB3 ASN A 58 33.559 -6.356 -11.790 1.00 0.00 H new ATOM 0 HD21 ASN A 58 31.882 -5.225 -15.414 1.00 0.00 H new ATOM 0 HD22 ASN A 58 31.632 -6.840 -14.744 1.00 0.00 H new ATOM 374 N GLY A 59 33.898 -10.012 -12.456 1.00 0.00 N ATOM 375 CA GLY A 59 34.028 -11.166 -11.577 1.00 0.00 C ATOM 376 C GLY A 59 32.786 -11.298 -10.701 1.00 0.00 C ATOM 377 O GLY A 59 31.704 -10.863 -11.088 1.00 0.00 O ATOM 0 H GLY A 59 33.249 -10.151 -13.230 1.00 0.00 H new ATOM 0 HA2 GLY A 59 34.163 -12.071 -12.169 1.00 0.00 H new ATOM 0 HA3 GLY A 59 34.914 -11.059 -10.952 1.00 0.00 H new ATOM 381 N THR A 60 32.947 -11.905 -9.517 1.00 0.00 N ATOM 382 CA THR A 60 31.842 -12.109 -8.584 1.00 0.00 C ATOM 383 C THR A 60 32.326 -11.893 -7.145 1.00 0.00 C ATOM 384 O THR A 60 31.801 -12.505 -6.216 1.00 0.00 O ATOM 385 CB THR A 60 31.290 -13.534 -8.763 1.00 0.00 C ATOM 386 OG1 THR A 60 32.341 -14.470 -8.637 1.00 0.00 O ATOM 387 CG2 THR A 60 30.648 -13.681 -10.145 1.00 0.00 C ATOM 0 H THR A 60 33.842 -12.264 -9.185 1.00 0.00 H new ATOM 0 HA THR A 60 31.048 -11.391 -8.788 1.00 0.00 H new ATOM 0 HB THR A 60 30.538 -13.719 -7.996 1.00 0.00 H new ATOM 0 HG1 THR A 60 31.987 -15.377 -8.750 1.00 0.00 H new ATOM 0 HG21 THR A 60 30.261 -14.693 -10.261 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.831 -12.966 -10.244 1.00 0.00 H new ATOM 0 HG23 THR A 60 31.395 -13.488 -10.915 1.00 0.00 H new ATOM 395 N ASP A 61 33.333 -11.027 -6.966 1.00 0.00 N ATOM 396 CA ASP A 61 33.902 -10.758 -5.651 1.00 0.00 C ATOM 397 C ASP A 61 33.182 -9.584 -4.979 1.00 0.00 C ATOM 398 O ASP A 61 32.468 -9.772 -3.996 1.00 0.00 O ATOM 399 CB ASP A 61 35.407 -10.471 -5.802 1.00 0.00 C ATOM 400 CG ASP A 61 36.233 -11.482 -5.016 1.00 0.00 C ATOM 401 OD1 ASP A 61 36.284 -11.332 -3.777 1.00 0.00 O ATOM 402 OD2 ASP A 61 36.796 -12.385 -5.671 1.00 0.00 O ATOM 0 H ASP A 61 33.768 -10.501 -7.724 1.00 0.00 H new ATOM 0 HA ASP A 61 33.768 -11.631 -5.012 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.685 -10.508 -6.855 1.00 0.00 H new ATOM 0 HB3 ASP A 61 35.627 -9.463 -5.450 1.00 0.00 H new ATOM 407 N ASP A 62 33.390 -8.371 -5.508 1.00 0.00 N ATOM 408 CA ASP A 62 32.829 -7.153 -4.930 1.00 0.00 C ATOM 409 C ASP A 62 31.325 -7.049 -5.175 1.00 0.00 C ATOM 410 O ASP A 62 30.577 -6.757 -4.248 1.00 0.00 O ATOM 411 CB ASP A 62 33.549 -5.933 -5.533 1.00 0.00 C ATOM 412 CG ASP A 62 34.223 -5.101 -4.449 1.00 0.00 C ATOM 413 OD1 ASP A 62 35.178 -5.624 -3.841 1.00 0.00 O ATOM 414 OD2 ASP A 62 33.767 -3.952 -4.249 1.00 0.00 O ATOM 0 H ASP A 62 33.950 -8.212 -6.345 1.00 0.00 H new ATOM 0 HA ASP A 62 32.980 -7.183 -3.851 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.294 -6.267 -6.255 1.00 0.00 H new ATOM 0 HB3 ASP A 62 32.833 -5.316 -6.076 1.00 0.00 H new ATOM 419 N TRP A 63 30.901 -7.259 -6.436 1.00 0.00 N ATOM 420 CA TRP A 63 29.497 -7.136 -6.873 1.00 0.00 C ATOM 421 C TRP A 63 29.041 -5.669 -6.869 1.00 0.00 C ATOM 422 O TRP A 63 28.152 -5.301 -7.635 1.00 0.00 O ATOM 423 CB TRP A 63 28.562 -8.014 -6.030 1.00 0.00 C ATOM 424 CG TRP A 63 28.630 -9.463 -6.370 1.00 0.00 C ATOM 425 CD1 TRP A 63 29.249 -10.409 -5.651 1.00 0.00 C ATOM 426 CD2 TRP A 63 28.075 -10.153 -7.527 1.00 0.00 C ATOM 427 NE1 TRP A 63 29.126 -11.639 -6.249 1.00 0.00 N ATOM 428 CE2 TRP A 63 28.402 -11.541 -7.424 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.331 -9.753 -8.661 1.00 0.00 C ATOM 430 CZ2 TRP A 63 28.009 -12.475 -8.384 1.00 0.00 C ATOM 431 CZ3 TRP A 63 26.941 -10.690 -9.637 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.278 -12.048 -9.498 1.00 0.00 C ATOM 0 H TRP A 63 31.534 -7.523 -7.191 1.00 0.00 H new ATOM 0 HA TRP A 63 29.442 -7.499 -7.899 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.810 -7.885 -4.976 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.537 -7.667 -6.161 1.00 0.00 H new ATOM 0 HD1 TRP A 63 29.774 -10.228 -4.725 1.00 0.00 H new ATOM 0 HE1 TRP A 63 29.515 -12.506 -5.878 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.058 -8.715 -8.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 28.267 -13.517 -8.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.379 -10.363 -10.499 1.00 0.00 H new ATOM 0 HH2 TRP A 63 26.973 -12.761 -10.250 1.00 0.00 H new ATOM 443 N LYS A 64 29.652 -4.833 -6.026 1.00 0.00 N ATOM 444 CA LYS A 64 29.331 -3.417 -5.965 1.00 0.00 C ATOM 445 C LYS A 64 29.603 -2.779 -7.328 1.00 0.00 C ATOM 446 O LYS A 64 28.845 -1.924 -7.779 1.00 0.00 O ATOM 447 CB LYS A 64 30.185 -2.770 -4.870 1.00 0.00 C ATOM 448 CG LYS A 64 29.933 -1.258 -4.822 1.00 0.00 C ATOM 449 CD LYS A 64 30.598 -0.648 -3.577 1.00 0.00 C ATOM 450 CE LYS A 64 32.108 -0.928 -3.588 1.00 0.00 C ATOM 451 NZ LYS A 64 32.428 -2.177 -2.868 1.00 0.00 N ATOM 0 H LYS A 64 30.379 -5.123 -5.372 1.00 0.00 H new ATOM 0 HA LYS A 64 28.278 -3.269 -5.724 1.00 0.00 H new ATOM 0 HB2 LYS A 64 29.948 -3.216 -3.904 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.241 -2.964 -5.061 1.00 0.00 H new ATOM 0 HG2 LYS A 64 30.329 -0.787 -5.722 1.00 0.00 H new ATOM 0 HG3 LYS A 64 28.861 -1.061 -4.804 1.00 0.00 H new ATOM 0 HD2 LYS A 64 30.421 0.427 -3.552 1.00 0.00 H new ATOM 0 HD3 LYS A 64 30.150 -1.066 -2.675 1.00 0.00 H new ATOM 0 HE2 LYS A 64 32.459 -0.999 -4.617 1.00 0.00 H new ATOM 0 HE3 LYS A 64 32.638 -0.094 -3.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 33.214 -2.006 -2.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 31.593 -2.494 -2.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 32.702 -2.911 -3.552 1.00 0.00 H new ATOM 465 N VAL A 65 30.688 -3.210 -7.980 1.00 0.00 N ATOM 466 CA VAL A 65 31.061 -2.706 -9.292 1.00 0.00 C ATOM 467 C VAL A 65 29.933 -2.983 -10.288 1.00 0.00 C ATOM 468 O VAL A 65 29.529 -2.097 -11.037 1.00 0.00 O ATOM 469 CB VAL A 65 32.364 -3.387 -9.741 1.00 0.00 C ATOM 470 CG1 VAL A 65 32.779 -2.853 -11.112 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.477 -3.103 -8.728 1.00 0.00 C ATOM 0 H VAL A 65 31.325 -3.915 -7.609 1.00 0.00 H new ATOM 0 HA VAL A 65 31.223 -1.629 -9.247 1.00 0.00 H new ATOM 0 HB VAL A 65 32.198 -4.463 -9.803 1.00 0.00 H new ATOM 0 HG11 VAL A 65 33.703 -3.338 -11.427 1.00 0.00 H new ATOM 0 HG12 VAL A 65 31.993 -3.063 -11.838 1.00 0.00 H new ATOM 0 HG13 VAL A 65 32.937 -1.776 -11.050 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.397 -3.589 -9.053 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.640 -2.027 -8.658 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.187 -3.490 -7.751 1.00 0.00 H new ATOM 481 N ILE A 66 29.430 -4.221 -10.287 1.00 0.00 N ATOM 482 CA ILE A 66 28.357 -4.625 -11.182 1.00 0.00 C ATOM 483 C ILE A 66 27.095 -3.817 -10.867 1.00 0.00 C ATOM 484 O ILE A 66 26.414 -3.347 -11.777 1.00 0.00 O ATOM 485 CB ILE A 66 28.114 -6.137 -11.024 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.371 -6.901 -11.481 1.00 0.00 C ATOM 487 CG2 ILE A 66 26.911 -6.560 -11.875 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.304 -8.362 -11.045 1.00 0.00 C ATOM 0 H ILE A 66 29.757 -4.963 -9.668 1.00 0.00 H new ATOM 0 HA ILE A 66 28.631 -4.427 -12.218 1.00 0.00 H new ATOM 0 HB ILE A 66 27.907 -6.367 -9.979 1.00 0.00 H new ATOM 0 HG12 ILE A 66 29.463 -6.844 -12.566 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.261 -6.432 -11.061 1.00 0.00 H new ATOM 0 HG21 ILE A 66 26.743 -7.631 -11.760 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.025 -6.016 -11.548 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.109 -6.334 -12.923 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.202 -8.883 -11.378 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.236 -8.415 -9.958 1.00 0.00 H new ATOM 0 HD13 ILE A 66 28.426 -8.834 -11.487 1.00 0.00 H new ATOM 500 N ALA A 67 26.792 -3.653 -9.573 1.00 0.00 N ATOM 501 CA ALA A 67 25.623 -2.905 -9.137 1.00 0.00 C ATOM 502 C ALA A 67 25.693 -1.460 -9.637 1.00 0.00 C ATOM 503 O ALA A 67 24.682 -0.904 -10.055 1.00 0.00 O ATOM 504 CB ALA A 67 25.542 -2.943 -7.612 1.00 0.00 C ATOM 0 H ALA A 67 27.350 -4.035 -8.810 1.00 0.00 H new ATOM 0 HA ALA A 67 24.726 -3.361 -9.556 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.667 -2.384 -7.280 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.460 -3.977 -7.278 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.441 -2.495 -7.189 1.00 0.00 H new ATOM 510 N ASN A 68 26.888 -0.852 -9.596 1.00 0.00 N ATOM 511 CA ASN A 68 27.069 0.525 -10.048 1.00 0.00 C ATOM 512 C ASN A 68 26.664 0.659 -11.518 1.00 0.00 C ATOM 513 O ASN A 68 26.104 1.680 -11.912 1.00 0.00 O ATOM 514 CB ASN A 68 28.530 0.952 -9.850 1.00 0.00 C ATOM 515 CG ASN A 68 28.718 1.659 -8.511 1.00 0.00 C ATOM 516 OD1 ASN A 68 28.865 2.876 -8.466 1.00 0.00 O ATOM 517 ND2 ASN A 68 28.713 0.894 -7.421 1.00 0.00 N ATOM 0 H ASN A 68 27.740 -1.297 -9.254 1.00 0.00 H new ATOM 0 HA ASN A 68 26.430 1.180 -9.456 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.178 0.077 -9.897 1.00 0.00 H new ATOM 0 HB3 ASN A 68 28.832 1.615 -10.661 1.00 0.00 H new ATOM 0 HD21 ASN A 68 28.835 1.317 -6.501 1.00 0.00 H new ATOM 0 HD22 ASN A 68 28.587 -0.115 -7.506 1.00 0.00 H new ATOM 524 N TYR A 69 26.944 -0.371 -12.330 1.00 0.00 N ATOM 525 CA TYR A 69 26.606 -0.347 -13.749 1.00 0.00 C ATOM 526 C TYR A 69 25.122 -0.674 -13.961 1.00 0.00 C ATOM 527 O TYR A 69 24.611 -0.496 -15.066 1.00 0.00 O ATOM 528 CB TYR A 69 27.488 -1.350 -14.502 1.00 0.00 C ATOM 529 CG TYR A 69 28.953 -0.959 -14.558 1.00 0.00 C ATOM 530 CD1 TYR A 69 29.330 0.303 -15.058 1.00 0.00 C ATOM 531 CD2 TYR A 69 29.941 -1.862 -14.125 1.00 0.00 C ATOM 532 CE1 TYR A 69 30.688 0.660 -15.118 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.299 -1.504 -14.191 1.00 0.00 C ATOM 534 CZ TYR A 69 31.671 -0.243 -14.685 1.00 0.00 C ATOM 535 OH TYR A 69 32.989 0.103 -14.749 1.00 0.00 O ATOM 0 H TYR A 69 27.404 -1.228 -12.022 1.00 0.00 H new ATOM 0 HA TYR A 69 26.788 0.655 -14.138 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.400 -2.326 -14.025 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.112 -1.458 -15.519 1.00 0.00 H new ATOM 0 HD1 TYR A 69 28.574 0.997 -15.396 1.00 0.00 H new ATOM 0 HD2 TYR A 69 29.656 -2.831 -13.742 1.00 0.00 H new ATOM 0 HE1 TYR A 69 30.975 1.630 -15.497 1.00 0.00 H new ATOM 0 HE2 TYR A 69 32.057 -2.199 -13.862 1.00 0.00 H new ATOM 0 HH TYR A 69 33.538 -0.635 -14.409 1.00 0.00 H new ATOM 545 N LEU A 70 24.431 -1.147 -12.908 1.00 0.00 N ATOM 546 CA LEU A 70 23.013 -1.486 -12.988 1.00 0.00 C ATOM 547 C LEU A 70 22.246 -0.756 -11.877 1.00 0.00 C ATOM 548 O LEU A 70 21.910 -1.368 -10.862 1.00 0.00 O ATOM 549 CB LEU A 70 22.843 -3.007 -12.842 1.00 0.00 C ATOM 550 CG LEU A 70 23.492 -3.748 -14.024 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.472 -5.252 -13.744 1.00 0.00 C ATOM 552 CD2 LEU A 70 22.718 -3.465 -15.317 1.00 0.00 C ATOM 0 H LEU A 70 24.843 -1.301 -11.988 1.00 0.00 H new ATOM 0 HA LEU A 70 22.614 -1.175 -13.954 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.294 -3.339 -11.907 1.00 0.00 H new ATOM 0 HB3 LEU A 70 21.783 -3.255 -12.790 1.00 0.00 H new ATOM 0 HG LEU A 70 24.519 -3.402 -14.142 1.00 0.00 H new ATOM 0 HD11 LEU A 70 23.931 -5.783 -14.578 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.030 -5.460 -12.831 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.441 -5.586 -13.624 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.188 -3.995 -16.146 1.00 0.00 H new ATOM 0 HD22 LEU A 70 21.688 -3.804 -15.206 1.00 0.00 H new ATOM 0 HD23 LEU A 70 22.727 -2.394 -15.520 1.00 0.00 H new ATOM 564 N PRO A 71 21.965 0.558 -12.063 1.00 0.00 N ATOM 565 CA PRO A 71 21.242 1.355 -11.085 1.00 0.00 C ATOM 566 C PRO A 71 19.788 0.878 -10.984 1.00 0.00 C ATOM 567 O PRO A 71 18.883 1.486 -11.548 1.00 0.00 O ATOM 568 CB PRO A 71 21.345 2.804 -11.580 1.00 0.00 C ATOM 569 CG PRO A 71 21.868 2.737 -13.019 1.00 0.00 C ATOM 570 CD PRO A 71 22.354 1.304 -13.244 1.00 0.00 C ATOM 0 HA PRO A 71 21.657 1.263 -10.081 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.373 3.296 -11.543 1.00 0.00 H new ATOM 0 HB3 PRO A 71 22.020 3.382 -10.949 1.00 0.00 H new ATOM 0 HG2 PRO A 71 21.082 2.995 -13.729 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.680 3.449 -13.169 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.905 0.876 -14.141 1.00 0.00 H new ATOM 0 HD3 PRO A 71 23.435 1.276 -13.384 1.00 0.00 H new ATOM 578 N ASN A 72 19.588 -0.226 -10.259 1.00 0.00 N ATOM 579 CA ASN A 72 18.279 -0.845 -10.064 1.00 0.00 C ATOM 580 C ASN A 72 18.423 -2.040 -9.126 1.00 0.00 C ATOM 581 O ASN A 72 17.546 -2.293 -8.302 1.00 0.00 O ATOM 582 CB ASN A 72 17.691 -1.301 -11.414 1.00 0.00 C ATOM 583 CG ASN A 72 16.330 -0.661 -11.678 1.00 0.00 C ATOM 584 OD1 ASN A 72 15.300 -1.322 -11.543 1.00 0.00 O ATOM 585 ND2 ASN A 72 16.320 0.616 -12.051 1.00 0.00 N ATOM 0 H ASN A 72 20.344 -0.720 -9.785 1.00 0.00 H new ATOM 0 HA ASN A 72 17.600 -0.114 -9.624 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.379 -1.040 -12.218 1.00 0.00 H new ATOM 0 HB3 ASN A 72 17.591 -2.386 -11.420 1.00 0.00 H new ATOM 0 HD21 ASN A 72 15.434 1.086 -12.238 1.00 0.00 H new ATOM 0 HD22 ASN A 72 17.198 1.125 -12.150 1.00 0.00 H new ATOM 592 N ARG A 73 19.536 -2.775 -9.268 1.00 0.00 N ATOM 593 CA ARG A 73 19.812 -3.955 -8.463 1.00 0.00 C ATOM 594 C ARG A 73 21.128 -3.749 -7.721 1.00 0.00 C ATOM 595 O ARG A 73 22.168 -3.560 -8.348 1.00 0.00 O ATOM 596 CB ARG A 73 19.889 -5.190 -9.381 1.00 0.00 C ATOM 597 CG ARG A 73 18.740 -5.192 -10.404 1.00 0.00 C ATOM 598 CD ARG A 73 17.380 -5.378 -9.708 1.00 0.00 C ATOM 599 NE ARG A 73 16.329 -4.654 -10.432 1.00 0.00 N ATOM 600 CZ ARG A 73 16.042 -4.885 -11.723 1.00 0.00 C ATOM 601 NH1 ARG A 73 16.446 -6.016 -12.309 1.00 0.00 N ATOM 602 NH2 ARG A 73 15.360 -3.979 -12.430 1.00 0.00 N ATOM 0 H ARG A 73 20.266 -2.560 -9.948 1.00 0.00 H new ATOM 0 HA ARG A 73 19.017 -4.114 -7.735 1.00 0.00 H new ATOM 0 HB2 ARG A 73 20.845 -5.199 -9.904 1.00 0.00 H new ATOM 0 HB3 ARG A 73 19.846 -6.098 -8.779 1.00 0.00 H new ATOM 0 HG2 ARG A 73 18.742 -4.255 -10.960 1.00 0.00 H new ATOM 0 HG3 ARG A 73 18.894 -5.992 -11.128 1.00 0.00 H new ATOM 0 HD2 ARG A 73 17.132 -6.438 -9.659 1.00 0.00 H new ATOM 0 HD3 ARG A 73 17.438 -5.016 -8.681 1.00 0.00 H new ATOM 0 HE ARG A 73 15.793 -3.944 -9.933 1.00 0.00 H new ATOM 0 HH11 ARG A 73 16.974 -6.707 -11.775 1.00 0.00 H new ATOM 0 HH12 ARG A 73 16.226 -6.189 -13.290 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.057 -3.111 -11.989 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.143 -4.156 -13.411 1.00 0.00 H new ATOM 616 N THR A 74 21.084 -3.784 -6.383 1.00 0.00 N ATOM 617 CA THR A 74 22.281 -3.600 -5.574 1.00 0.00 C ATOM 618 C THR A 74 23.160 -4.845 -5.676 1.00 0.00 C ATOM 619 O THR A 74 22.835 -5.783 -6.402 1.00 0.00 O ATOM 620 CB THR A 74 21.892 -3.330 -4.113 1.00 0.00 C ATOM 621 OG1 THR A 74 21.281 -4.477 -3.563 1.00 0.00 O ATOM 622 CG2 THR A 74 20.924 -2.145 -4.036 1.00 0.00 C ATOM 0 H THR A 74 20.231 -3.938 -5.845 1.00 0.00 H new ATOM 0 HA THR A 74 22.842 -2.741 -5.943 1.00 0.00 H new ATOM 0 HB THR A 74 22.792 -3.091 -3.546 1.00 0.00 H new ATOM 0 HG1 THR A 74 21.035 -4.302 -2.631 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.655 -1.962 -2.996 1.00 0.00 H new ATOM 0 HG22 THR A 74 21.403 -1.257 -4.448 1.00 0.00 H new ATOM 0 HG23 THR A 74 20.025 -2.372 -4.609 1.00 0.00 H new ATOM 630 N ASP A 75 24.273 -4.854 -4.940 1.00 0.00 N ATOM 631 CA ASP A 75 25.189 -5.982 -4.930 1.00 0.00 C ATOM 632 C ASP A 75 24.449 -7.250 -4.498 1.00 0.00 C ATOM 633 O ASP A 75 24.704 -8.327 -5.031 1.00 0.00 O ATOM 634 CB ASP A 75 26.351 -5.677 -3.978 1.00 0.00 C ATOM 635 CG ASP A 75 25.843 -5.294 -2.592 1.00 0.00 C ATOM 636 OD1 ASP A 75 25.306 -4.168 -2.476 1.00 0.00 O ATOM 637 OD2 ASP A 75 25.996 -6.131 -1.679 1.00 0.00 O ATOM 0 H ASP A 75 24.558 -4.081 -4.339 1.00 0.00 H new ATOM 0 HA ASP A 75 25.587 -6.146 -5.932 1.00 0.00 H new ATOM 0 HB2 ASP A 75 27.001 -6.549 -3.902 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.954 -4.865 -4.384 1.00 0.00 H new ATOM 642 N VAL A 76 23.532 -7.114 -3.532 1.00 0.00 N ATOM 643 CA VAL A 76 22.763 -8.240 -3.023 1.00 0.00 C ATOM 644 C VAL A 76 21.901 -8.837 -4.137 1.00 0.00 C ATOM 645 O VAL A 76 21.963 -10.039 -4.388 1.00 0.00 O ATOM 646 CB VAL A 76 21.894 -7.771 -1.845 1.00 0.00 C ATOM 647 CG1 VAL A 76 21.060 -8.943 -1.316 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.789 -7.240 -0.720 1.00 0.00 C ATOM 0 H VAL A 76 23.308 -6.223 -3.088 1.00 0.00 H new ATOM 0 HA VAL A 76 23.441 -9.018 -2.671 1.00 0.00 H new ATOM 0 HB VAL A 76 21.230 -6.978 -2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.446 -8.605 -0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.416 -9.319 -2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.724 -9.739 -0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 76 22.169 -6.909 0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.457 -8.032 -0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.379 -6.401 -1.089 1.00 0.00 H new ATOM 658 N GLN A 77 21.092 -7.999 -4.804 1.00 0.00 N ATOM 659 CA GLN A 77 20.217 -8.466 -5.874 1.00 0.00 C ATOM 660 C GLN A 77 21.046 -9.042 -7.019 1.00 0.00 C ATOM 661 O GLN A 77 20.736 -10.117 -7.520 1.00 0.00 O ATOM 662 CB GLN A 77 19.345 -7.315 -6.385 1.00 0.00 C ATOM 663 CG GLN A 77 18.221 -7.007 -5.391 1.00 0.00 C ATOM 664 CD GLN A 77 18.617 -5.879 -4.448 1.00 0.00 C ATOM 665 OE1 GLN A 77 18.719 -4.729 -4.867 1.00 0.00 O ATOM 666 NE2 GLN A 77 18.839 -6.207 -3.177 1.00 0.00 N ATOM 0 H GLN A 77 21.031 -6.998 -4.617 1.00 0.00 H new ATOM 0 HA GLN A 77 19.570 -9.249 -5.479 1.00 0.00 H new ATOM 0 HB2 GLN A 77 19.958 -6.426 -6.536 1.00 0.00 H new ATOM 0 HB3 GLN A 77 18.919 -7.577 -7.354 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.317 -6.731 -5.934 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.986 -7.902 -4.814 1.00 0.00 H new ATOM 0 HE21 GLN A 77 18.742 -7.177 -2.876 1.00 0.00 H new ATOM 0 HE22 GLN A 77 19.106 -5.489 -2.504 1.00 0.00 H new ATOM 675 N CYS A 78 22.094 -8.323 -7.435 1.00 0.00 N ATOM 676 CA CYS A 78 22.949 -8.761 -8.530 1.00 0.00 C ATOM 677 C CYS A 78 23.522 -10.144 -8.224 1.00 0.00 C ATOM 678 O CYS A 78 23.457 -11.046 -9.060 1.00 0.00 O ATOM 679 CB CYS A 78 24.083 -7.753 -8.738 1.00 0.00 C ATOM 680 SG CYS A 78 23.434 -6.288 -9.577 1.00 0.00 S ATOM 0 H CYS A 78 22.367 -7.431 -7.023 1.00 0.00 H new ATOM 0 HA CYS A 78 22.357 -8.821 -9.444 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.518 -7.474 -7.778 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.880 -8.202 -9.330 1.00 0.00 H new ATOM 0 HG CYS A 78 23.003 -5.437 -8.694 1.00 0.00 H new ATOM 686 N GLN A 79 24.086 -10.304 -7.022 1.00 0.00 N ATOM 687 CA GLN A 79 24.678 -11.563 -6.605 1.00 0.00 C ATOM 688 C GLN A 79 23.623 -12.666 -6.612 1.00 0.00 C ATOM 689 O GLN A 79 23.801 -13.684 -7.271 1.00 0.00 O ATOM 690 CB GLN A 79 25.289 -11.392 -5.208 1.00 0.00 C ATOM 691 CG GLN A 79 26.034 -12.668 -4.802 1.00 0.00 C ATOM 692 CD GLN A 79 26.587 -12.554 -3.385 1.00 0.00 C ATOM 693 OE1 GLN A 79 26.337 -13.418 -2.549 1.00 0.00 O ATOM 694 NE2 GLN A 79 27.339 -11.487 -3.114 1.00 0.00 N ATOM 0 H GLN A 79 24.141 -9.565 -6.321 1.00 0.00 H new ATOM 0 HA GLN A 79 25.466 -11.851 -7.301 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.974 -10.544 -5.203 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.505 -11.173 -4.483 1.00 0.00 H new ATOM 0 HG2 GLN A 79 25.360 -13.522 -4.865 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.850 -12.854 -5.500 1.00 0.00 H new ATOM 0 HE21 GLN A 79 27.521 -10.794 -3.840 1.00 0.00 H new ATOM 0 HE22 GLN A 79 27.732 -11.364 -2.181 1.00 0.00 H new ATOM 703 N HIS A 80 22.526 -12.460 -5.873 1.00 0.00 N ATOM 704 CA HIS A 80 21.457 -13.445 -5.774 1.00 0.00 C ATOM 705 C HIS A 80 20.936 -13.830 -7.153 1.00 0.00 C ATOM 706 O HIS A 80 20.642 -14.992 -7.393 1.00 0.00 O ATOM 707 CB HIS A 80 20.314 -12.877 -4.930 1.00 0.00 C ATOM 708 CG HIS A 80 20.594 -12.911 -3.452 1.00 0.00 C ATOM 709 ND1 HIS A 80 19.894 -12.128 -2.545 1.00 0.00 N ATOM 710 CD2 HIS A 80 21.480 -13.630 -2.687 1.00 0.00 C ATOM 711 CE1 HIS A 80 20.384 -12.414 -1.325 1.00 0.00 C ATOM 712 NE2 HIS A 80 21.356 -13.326 -1.341 1.00 0.00 N ATOM 0 H HIS A 80 22.361 -11.611 -5.333 1.00 0.00 H new ATOM 0 HA HIS A 80 21.857 -14.341 -5.299 1.00 0.00 H new ATOM 0 HB2 HIS A 80 20.124 -11.848 -5.233 1.00 0.00 H new ATOM 0 HB3 HIS A 80 19.405 -13.442 -5.134 1.00 0.00 H new ATOM 0 HD2 HIS A 80 22.186 -14.344 -3.085 1.00 0.00 H new ATOM 0 HE1 HIS A 80 20.024 -11.949 -0.419 1.00 0.00 H new ATOM 0 HE2 HIS A 80 21.881 -13.707 -0.554 1.00 0.00 H new ATOM 720 N ARG A 81 20.806 -12.861 -8.054 1.00 0.00 N ATOM 721 CA ARG A 81 20.272 -13.121 -9.376 1.00 0.00 C ATOM 722 C ARG A 81 21.112 -14.171 -10.102 1.00 0.00 C ATOM 723 O ARG A 81 20.571 -15.157 -10.585 1.00 0.00 O ATOM 724 CB ARG A 81 20.215 -11.814 -10.175 1.00 0.00 C ATOM 725 CG ARG A 81 19.694 -12.075 -11.598 1.00 0.00 C ATOM 726 CD ARG A 81 18.290 -12.692 -11.548 1.00 0.00 C ATOM 727 NE ARG A 81 17.651 -12.632 -12.867 1.00 0.00 N ATOM 728 CZ ARG A 81 16.416 -13.100 -13.111 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.700 -13.657 -12.125 1.00 0.00 N ATOM 730 NH2 ARG A 81 15.899 -13.008 -14.343 1.00 0.00 N ATOM 0 H ARG A 81 21.065 -11.889 -7.887 1.00 0.00 H new ATOM 0 HA ARG A 81 19.261 -13.517 -9.279 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.566 -11.100 -9.669 1.00 0.00 H new ATOM 0 HB3 ARG A 81 21.207 -11.366 -10.221 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.668 -11.141 -12.160 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.374 -12.745 -12.124 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.354 -13.728 -11.216 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.679 -12.161 -10.818 1.00 0.00 H new ATOM 0 HE ARG A 81 18.171 -12.214 -13.638 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.093 -13.726 -11.186 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.762 -14.012 -12.313 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.443 -12.583 -15.094 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.961 -13.363 -14.530 1.00 0.00 H new ATOM 744 N TRP A 82 22.426 -13.961 -10.197 1.00 0.00 N ATOM 745 CA TRP A 82 23.275 -14.874 -10.946 1.00 0.00 C ATOM 746 C TRP A 82 23.654 -16.126 -10.145 1.00 0.00 C ATOM 747 O TRP A 82 23.915 -17.169 -10.736 1.00 0.00 O ATOM 748 CB TRP A 82 24.544 -14.167 -11.400 1.00 0.00 C ATOM 749 CG TRP A 82 25.398 -15.063 -12.222 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.398 -15.827 -11.766 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.274 -15.388 -13.632 1.00 0.00 C ATOM 752 NE1 TRP A 82 26.899 -16.620 -12.763 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.239 -16.388 -13.953 1.00 0.00 C ATOM 754 CE3 TRP A 82 24.429 -14.958 -14.671 1.00 0.00 C ATOM 755 CZ2 TRP A 82 26.355 -16.935 -15.232 1.00 0.00 C ATOM 756 CZ3 TRP A 82 24.540 -15.503 -15.969 1.00 0.00 C ATOM 757 CH2 TRP A 82 25.500 -16.495 -16.244 1.00 0.00 C ATOM 0 H TRP A 82 22.916 -13.176 -9.769 1.00 0.00 H new ATOM 0 HA TRP A 82 22.694 -15.197 -11.810 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.282 -13.281 -11.978 1.00 0.00 H new ATOM 0 HB3 TRP A 82 25.104 -13.826 -10.529 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.761 -15.819 -10.749 1.00 0.00 H new ATOM 0 HE1 TRP A 82 27.657 -17.291 -12.643 1.00 0.00 H new ATOM 0 HE3 TRP A 82 23.685 -14.201 -14.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 27.099 -17.691 -15.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 23.885 -15.157 -16.755 1.00 0.00 H new ATOM 0 HH2 TRP A 82 25.575 -16.915 -17.236 1.00 0.00 H new ATOM 768 N GLN A 83 23.717 -16.031 -8.821 1.00 0.00 N ATOM 769 CA GLN A 83 24.149 -17.156 -8.000 1.00 0.00 C ATOM 770 C GLN A 83 22.971 -18.063 -7.652 1.00 0.00 C ATOM 771 O GLN A 83 23.108 -19.285 -7.667 1.00 0.00 O ATOM 772 CB GLN A 83 24.829 -16.619 -6.740 1.00 0.00 C ATOM 773 CG GLN A 83 26.117 -15.876 -7.133 1.00 0.00 C ATOM 774 CD GLN A 83 27.201 -16.849 -7.597 1.00 0.00 C ATOM 775 OE1 GLN A 83 27.262 -17.984 -7.136 1.00 0.00 O ATOM 776 NE2 GLN A 83 28.059 -16.400 -8.513 1.00 0.00 N ATOM 0 H GLN A 83 23.476 -15.191 -8.296 1.00 0.00 H new ATOM 0 HA GLN A 83 24.862 -17.761 -8.560 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.156 -15.947 -6.208 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.062 -17.439 -6.061 1.00 0.00 H new ATOM 0 HG2 GLN A 83 25.900 -15.164 -7.929 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.482 -15.301 -6.282 1.00 0.00 H new ATOM 0 HE21 GLN A 83 27.972 -15.448 -8.870 1.00 0.00 H new ATOM 0 HE22 GLN A 83 28.802 -17.008 -8.857 1.00 0.00 H new ATOM 785 N LYS A 84 21.818 -17.470 -7.337 1.00 0.00 N ATOM 786 CA LYS A 84 20.629 -18.229 -6.972 1.00 0.00 C ATOM 787 C LYS A 84 19.805 -18.578 -8.221 1.00 0.00 C ATOM 788 O LYS A 84 18.903 -19.411 -8.145 1.00 0.00 O ATOM 789 CB LYS A 84 19.797 -17.406 -5.978 1.00 0.00 C ATOM 790 CG LYS A 84 19.031 -18.339 -5.039 1.00 0.00 C ATOM 791 CD LYS A 84 18.235 -17.507 -4.030 1.00 0.00 C ATOM 792 CE LYS A 84 17.530 -18.437 -3.040 1.00 0.00 C ATOM 793 NZ LYS A 84 16.737 -17.669 -2.063 1.00 0.00 N ATOM 0 H LYS A 84 21.686 -16.459 -7.329 1.00 0.00 H new ATOM 0 HA LYS A 84 20.925 -19.167 -6.502 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.449 -16.751 -5.401 1.00 0.00 H new ATOM 0 HB3 LYS A 84 19.099 -16.766 -6.518 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.358 -18.977 -5.612 1.00 0.00 H new ATOM 0 HG3 LYS A 84 19.726 -18.997 -4.517 1.00 0.00 H new ATOM 0 HD2 LYS A 84 18.901 -16.829 -3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 84 17.502 -16.890 -4.550 1.00 0.00 H new ATOM 0 HE2 LYS A 84 16.879 -19.124 -3.581 1.00 0.00 H new ATOM 0 HE3 LYS A 84 18.269 -19.044 -2.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 16.270 -18.324 -1.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 17.364 -17.031 -1.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.017 -17.109 -2.563 1.00 0.00 H new ATOM 807 N VAL A 85 20.113 -17.942 -9.367 1.00 0.00 N ATOM 808 CA VAL A 85 19.396 -18.189 -10.619 1.00 0.00 C ATOM 809 C VAL A 85 20.418 -18.206 -11.769 1.00 0.00 C ATOM 810 O VAL A 85 21.611 -18.161 -11.512 1.00 0.00 O ATOM 811 CB VAL A 85 18.297 -17.113 -10.836 1.00 0.00 C ATOM 812 CG1 VAL A 85 17.045 -17.770 -11.428 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.910 -16.440 -9.505 1.00 0.00 C ATOM 0 H VAL A 85 20.859 -17.251 -9.445 1.00 0.00 H new ATOM 0 HA VAL A 85 18.890 -19.154 -10.583 1.00 0.00 H new ATOM 0 HB VAL A 85 18.694 -16.359 -11.516 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.275 -17.014 -11.580 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.294 -18.232 -12.384 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.675 -18.532 -10.742 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.139 -15.691 -9.687 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.530 -17.192 -8.814 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.787 -15.960 -9.072 1.00 0.00 H new ATOM 823 N LEU A 86 19.939 -18.282 -13.030 1.00 0.00 N ATOM 824 CA LEU A 86 20.794 -18.347 -14.232 1.00 0.00 C ATOM 825 C LEU A 86 21.617 -19.639 -14.237 1.00 0.00 C ATOM 826 O LEU A 86 22.342 -19.931 -13.289 1.00 0.00 O ATOM 827 CB LEU A 86 21.745 -17.126 -14.339 1.00 0.00 C ATOM 828 CG LEU A 86 21.059 -15.898 -14.976 1.00 0.00 C ATOM 829 CD1 LEU A 86 20.321 -16.278 -16.264 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.094 -15.263 -13.982 1.00 0.00 C ATOM 0 H LEU A 86 18.941 -18.300 -13.242 1.00 0.00 H new ATOM 0 HA LEU A 86 20.129 -18.333 -15.096 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.106 -16.862 -13.345 1.00 0.00 H new ATOM 0 HB3 LEU A 86 22.617 -17.400 -14.932 1.00 0.00 H new ATOM 0 HG LEU A 86 21.833 -15.175 -15.235 1.00 0.00 H new ATOM 0 HD11 LEU A 86 19.849 -15.392 -16.688 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.030 -16.690 -16.982 1.00 0.00 H new ATOM 0 HD13 LEU A 86 19.558 -17.023 -16.040 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.616 -14.398 -14.441 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.333 -15.990 -13.698 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.642 -14.946 -13.095 1.00 0.00 H new