USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 507 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 59 MET CE :methyl -159:sc= -0.0807 (180deg=-0.651) USER MOD Set 1.2: A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 43 LYS NZ :NH3+ -172:sc= 0.0702 (180deg=-0.378) USER MOD Set 2.2: A 50 GLN : amide:sc= -1.85 K(o=-1.8,f=-11!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= -6.31! USER MOD Single : A 15 GLN : amide:sc= -0.255 X(o=-0.25,f=-0.35) USER MOD Single : A 32 HIS : no HD1:sc= -0.0153 X(o=-0.015,f=-0.34) USER MOD Single : A 37 TYR OH : rot 25:sc= -1.8! USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -9:sc= -0.835 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 175:sc= -5.51! (180deg=-5.91!) USER MOD Single : A 47 SER OG : rot 180:sc= -0.901 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -38:sc= -2.49 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -124:sc= -2.67! USER MOD Single : A 70 LYS NZ :NH3+ -130:sc= -0.36 (180deg=-1.42) USER MOD ----------------------------------------------------------------- ATOM 53 N ARG A 5 -13.750 6.039 -4.912 1.00 0.00 N ATOM 54 CA ARG A 5 -12.566 5.611 -4.115 1.00 0.00 C ATOM 55 C ARG A 5 -11.332 5.565 -5.020 1.00 0.00 C ATOM 56 O ARG A 5 -11.405 5.159 -6.162 1.00 0.00 O ATOM 57 CB ARG A 5 -12.821 4.222 -3.528 1.00 0.00 C ATOM 58 CG ARG A 5 -14.046 4.271 -2.614 1.00 0.00 C ATOM 59 CD ARG A 5 -14.326 2.871 -2.061 1.00 0.00 C ATOM 60 NE ARG A 5 -14.741 1.973 -3.175 1.00 0.00 N ATOM 61 CZ ARG A 5 -14.854 0.688 -2.969 1.00 0.00 C ATOM 62 NH1 ARG A 5 -14.606 0.193 -1.788 1.00 0.00 N ATOM 63 NH2 ARG A 5 -15.217 -0.099 -3.945 1.00 0.00 N ATOM 0 HA ARG A 5 -12.397 6.321 -3.306 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.981 3.501 -4.329 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -11.949 3.887 -2.967 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.874 4.970 -1.795 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -14.912 4.635 -3.167 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -13.435 2.476 -1.573 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -15.110 2.917 -1.305 1.00 0.00 H new ATOM 0 HE ARG A 5 -14.937 2.361 -4.098 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -14.324 0.809 -1.026 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -14.694 -0.810 -1.627 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -15.412 0.289 -4.868 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -15.305 -1.102 -3.785 1.00 0.00 H new ATOM 77 N LYS A 6 -10.201 5.978 -4.517 1.00 0.00 N ATOM 78 CA LYS A 6 -8.964 5.952 -5.347 1.00 0.00 C ATOM 79 C LYS A 6 -8.447 4.516 -5.449 1.00 0.00 C ATOM 80 O LYS A 6 -8.470 3.769 -4.492 1.00 0.00 O ATOM 81 CB LYS A 6 -7.894 6.833 -4.696 1.00 0.00 C ATOM 82 CG LYS A 6 -8.295 8.304 -4.827 1.00 0.00 C ATOM 83 CD LYS A 6 -9.456 8.605 -3.876 1.00 0.00 C ATOM 84 CE LYS A 6 -9.534 10.112 -3.626 1.00 0.00 C ATOM 85 NZ LYS A 6 -10.703 10.410 -2.753 1.00 0.00 N ATOM 0 H LYS A 6 -10.080 6.332 -3.568 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.189 6.329 -6.345 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.780 6.568 -3.645 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.929 6.664 -5.174 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.445 8.945 -4.594 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.587 8.522 -5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.393 8.248 -4.304 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.314 8.076 -2.933 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.616 10.461 -3.154 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.628 10.644 -4.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.757 11.435 -2.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.576 10.090 -3.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.594 9.913 -1.846 1.00 0.00 H new ATOM 99 N ARG A 7 -7.981 4.124 -6.603 1.00 0.00 N ATOM 100 CA ARG A 7 -7.472 2.733 -6.768 1.00 0.00 C ATOM 101 C ARG A 7 -6.505 2.680 -7.952 1.00 0.00 C ATOM 102 O ARG A 7 -6.904 2.488 -9.084 1.00 0.00 O ATOM 103 CB ARG A 7 -8.647 1.788 -7.026 1.00 0.00 C ATOM 104 CG ARG A 7 -8.141 0.344 -7.070 1.00 0.00 C ATOM 105 CD ARG A 7 -9.326 -0.608 -7.241 1.00 0.00 C ATOM 106 NE ARG A 7 -8.859 -2.015 -7.083 1.00 0.00 N ATOM 107 CZ ARG A 7 -9.715 -2.998 -7.151 1.00 0.00 C ATOM 108 NH1 ARG A 7 -10.980 -2.748 -7.357 1.00 0.00 N ATOM 109 NH2 ARG A 7 -9.307 -4.228 -7.014 1.00 0.00 N ATOM 0 H ARG A 7 -7.931 4.707 -7.439 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.951 2.427 -5.861 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -9.395 1.899 -6.241 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -9.133 2.043 -7.968 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.439 0.219 -7.894 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.601 0.109 -6.153 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -10.096 -0.384 -6.503 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.777 -0.471 -8.224 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.871 -2.209 -6.922 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -11.299 -1.785 -7.465 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -11.649 -3.516 -7.410 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.319 -4.423 -6.854 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.976 -4.996 -7.067 1.00 0.00 H new ATOM 123 N TRP A 8 -5.236 2.852 -7.703 1.00 0.00 N ATOM 124 CA TRP A 8 -4.243 2.796 -8.812 1.00 0.00 C ATOM 125 C TRP A 8 -3.206 1.711 -8.515 1.00 0.00 C ATOM 126 O TRP A 8 -2.894 1.434 -7.374 1.00 0.00 O ATOM 127 CB TRP A 8 -3.543 4.150 -8.939 1.00 0.00 C ATOM 128 CG TRP A 8 -3.583 4.858 -7.623 1.00 0.00 C ATOM 129 CD1 TRP A 8 -3.038 4.392 -6.475 1.00 0.00 C ATOM 130 CD2 TRP A 8 -4.190 6.141 -7.299 1.00 0.00 C ATOM 131 NE1 TRP A 8 -3.271 5.312 -5.466 1.00 0.00 N ATOM 132 CE2 TRP A 8 -3.977 6.406 -5.925 1.00 0.00 C ATOM 133 CE3 TRP A 8 -4.895 7.095 -8.055 1.00 0.00 C ATOM 134 CZ2 TRP A 8 -4.447 7.573 -5.323 1.00 0.00 C ATOM 135 CZ3 TRP A 8 -5.371 8.271 -7.453 1.00 0.00 C ATOM 136 CH2 TRP A 8 -5.148 8.510 -6.089 1.00 0.00 C ATOM 0 H TRP A 8 -4.844 3.029 -6.778 1.00 0.00 H new ATOM 0 HA TRP A 8 -4.755 2.563 -9.746 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.510 4.009 -9.257 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.032 4.754 -9.704 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -2.509 3.457 -6.364 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -2.959 5.195 -4.502 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -5.072 6.922 -9.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -4.271 7.752 -4.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -5.912 8.996 -8.044 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -5.517 9.416 -5.631 1.00 0.00 H new ATOM 147 N GLU A 9 -2.669 1.095 -9.533 1.00 0.00 N ATOM 148 CA GLU A 9 -1.648 0.035 -9.307 1.00 0.00 C ATOM 149 C GLU A 9 -0.424 0.643 -8.622 1.00 0.00 C ATOM 150 O GLU A 9 -0.117 1.806 -8.795 1.00 0.00 O ATOM 151 CB GLU A 9 -1.235 -0.569 -10.651 1.00 0.00 C ATOM 152 CG GLU A 9 -2.406 -1.357 -11.240 1.00 0.00 C ATOM 153 CD GLU A 9 -2.006 -1.928 -12.600 1.00 0.00 C ATOM 154 OE1 GLU A 9 -0.866 -1.733 -12.991 1.00 0.00 O ATOM 155 OE2 GLU A 9 -2.846 -2.549 -13.231 1.00 0.00 O ATOM 0 H GLU A 9 -2.894 1.280 -10.511 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.068 -0.745 -8.672 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.932 0.221 -11.339 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.373 -1.223 -10.518 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.691 -2.164 -10.565 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.276 -0.709 -11.348 1.00 0.00 H new ATOM 162 N CYS A 10 0.280 -0.135 -7.845 1.00 0.00 N ATOM 163 CA CYS A 10 1.481 0.404 -7.143 1.00 0.00 C ATOM 164 C CYS A 10 2.728 0.137 -7.986 1.00 0.00 C ATOM 165 O CYS A 10 3.118 -0.995 -8.194 1.00 0.00 O ATOM 166 CB CYS A 10 1.626 -0.286 -5.784 1.00 0.00 C ATOM 167 SG CYS A 10 0.014 -0.350 -4.962 1.00 0.00 S ATOM 0 H CYS A 10 0.076 -1.118 -7.666 1.00 0.00 H new ATOM 0 HA CYS A 10 1.366 1.478 -6.997 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.018 -1.294 -5.916 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.341 0.255 -5.164 1.00 0.00 H new ATOM 0 HG CYS A 10 0.138 -0.938 -3.809 1.00 0.00 H new ATOM 173 N PRO A 11 3.347 1.181 -8.468 1.00 0.00 N ATOM 174 CA PRO A 11 4.583 1.077 -9.296 1.00 0.00 C ATOM 175 C PRO A 11 5.825 0.786 -8.449 1.00 0.00 C ATOM 176 O PRO A 11 6.687 0.020 -8.836 1.00 0.00 O ATOM 177 CB PRO A 11 4.696 2.452 -9.955 1.00 0.00 C ATOM 178 CG PRO A 11 3.989 3.393 -9.037 1.00 0.00 C ATOM 179 CD PRO A 11 2.933 2.578 -8.272 1.00 0.00 C ATOM 0 HA PRO A 11 4.524 0.256 -10.010 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.739 2.740 -10.085 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.239 2.452 -10.945 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.692 3.856 -8.345 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.519 4.199 -9.600 1.00 0.00 H new ATOM 0 HD2 PRO A 11 2.913 2.843 -7.215 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.932 2.756 -8.664 1.00 0.00 H new ATOM 187 N ALA A 12 5.925 1.390 -7.297 1.00 0.00 N ATOM 188 CA ALA A 12 7.109 1.145 -6.427 1.00 0.00 C ATOM 189 C ALA A 12 7.099 -0.306 -5.946 1.00 0.00 C ATOM 190 O ALA A 12 8.131 -0.936 -5.819 1.00 0.00 O ATOM 191 CB ALA A 12 7.059 2.084 -5.219 1.00 0.00 C ATOM 0 H ALA A 12 5.238 2.043 -6.921 1.00 0.00 H new ATOM 0 HA ALA A 12 8.020 1.332 -6.995 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.925 1.905 -4.583 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.069 3.119 -5.562 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.147 1.898 -4.651 1.00 0.00 H new ATOM 197 N LEU A 13 5.942 -0.845 -5.679 1.00 0.00 N ATOM 198 CA LEU A 13 5.866 -2.256 -5.206 1.00 0.00 C ATOM 199 C LEU A 13 5.780 -3.193 -6.411 1.00 0.00 C ATOM 200 O LEU A 13 5.369 -2.801 -7.485 1.00 0.00 O ATOM 201 CB LEU A 13 4.624 -2.435 -4.331 1.00 0.00 C ATOM 202 CG LEU A 13 4.849 -1.758 -2.978 1.00 0.00 C ATOM 203 CD1 LEU A 13 5.980 -2.469 -2.233 1.00 0.00 C ATOM 204 CD2 LEU A 13 5.229 -0.292 -3.200 1.00 0.00 C ATOM 0 H LEU A 13 5.044 -0.369 -5.768 1.00 0.00 H new ATOM 0 HA LEU A 13 6.757 -2.493 -4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.753 -2.003 -4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.417 -3.496 -4.189 1.00 0.00 H new ATOM 0 HG LEU A 13 3.934 -1.813 -2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.140 -1.986 -1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.712 -3.514 -2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.895 -2.414 -2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.390 0.192 -2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.144 -0.239 -3.790 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.424 0.216 -3.732 1.00 0.00 H new ATOM 216 N PRO A 14 6.166 -4.427 -6.228 1.00 0.00 N ATOM 217 CA PRO A 14 6.136 -5.452 -7.311 1.00 0.00 C ATOM 218 C PRO A 14 4.764 -5.539 -7.986 1.00 0.00 C ATOM 219 O PRO A 14 3.737 -5.412 -7.348 1.00 0.00 O ATOM 220 CB PRO A 14 6.457 -6.760 -6.585 1.00 0.00 C ATOM 221 CG PRO A 14 7.191 -6.359 -5.348 1.00 0.00 C ATOM 222 CD PRO A 14 6.678 -4.977 -4.965 1.00 0.00 C ATOM 0 HA PRO A 14 6.837 -5.216 -8.111 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.546 -7.307 -6.341 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.066 -7.415 -7.208 1.00 0.00 H new ATOM 0 HG2 PRO A 14 7.015 -7.074 -4.544 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.266 -6.337 -5.526 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.895 -5.037 -4.209 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.473 -4.356 -4.552 1.00 0.00 H new ATOM 230 N GLN A 15 4.738 -5.751 -9.273 1.00 0.00 N ATOM 231 CA GLN A 15 3.435 -5.842 -9.988 1.00 0.00 C ATOM 232 C GLN A 15 2.492 -6.766 -9.214 1.00 0.00 C ATOM 233 O GLN A 15 2.860 -7.855 -8.820 1.00 0.00 O ATOM 234 CB GLN A 15 3.661 -6.407 -11.392 1.00 0.00 C ATOM 235 CG GLN A 15 4.528 -5.436 -12.199 1.00 0.00 C ATOM 236 CD GLN A 15 3.761 -4.133 -12.426 1.00 0.00 C ATOM 237 OE1 GLN A 15 2.656 -4.145 -12.930 1.00 0.00 O ATOM 238 NE2 GLN A 15 4.304 -3.000 -12.072 1.00 0.00 N ATOM 0 H GLN A 15 5.564 -5.865 -9.860 1.00 0.00 H new ATOM 0 HA GLN A 15 2.992 -4.849 -10.062 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.148 -7.380 -11.330 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.705 -6.560 -11.893 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.458 -5.235 -11.667 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.798 -5.883 -13.156 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.232 -2.989 -11.649 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.800 -2.125 -12.219 1.00 0.00 H new ATOM 247 N GLY A 16 1.278 -6.340 -8.994 1.00 0.00 N ATOM 248 CA GLY A 16 0.313 -7.196 -8.249 1.00 0.00 C ATOM 249 C GLY A 16 -0.160 -6.461 -6.994 1.00 0.00 C ATOM 250 O GLY A 16 -1.204 -6.757 -6.444 1.00 0.00 O ATOM 0 H GLY A 16 0.913 -5.437 -9.298 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.539 -7.439 -8.884 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.785 -8.140 -7.974 1.00 0.00 H new ATOM 254 N TRP A 17 0.597 -5.502 -6.534 1.00 0.00 N ATOM 255 CA TRP A 17 0.186 -4.745 -5.319 1.00 0.00 C ATOM 256 C TRP A 17 -0.767 -3.617 -5.719 1.00 0.00 C ATOM 257 O TRP A 17 -0.666 -3.059 -6.794 1.00 0.00 O ATOM 258 CB TRP A 17 1.424 -4.152 -4.645 1.00 0.00 C ATOM 259 CG TRP A 17 2.205 -5.244 -3.988 1.00 0.00 C ATOM 260 CD1 TRP A 17 2.669 -6.351 -4.612 1.00 0.00 C ATOM 261 CD2 TRP A 17 2.619 -5.355 -2.595 1.00 0.00 C ATOM 262 NE1 TRP A 17 3.342 -7.133 -3.691 1.00 0.00 N ATOM 263 CE2 TRP A 17 3.339 -6.562 -2.435 1.00 0.00 C ATOM 264 CE3 TRP A 17 2.443 -4.533 -1.468 1.00 0.00 C ATOM 265 CZ2 TRP A 17 3.864 -6.941 -1.198 1.00 0.00 C ATOM 266 CZ3 TRP A 17 2.970 -4.911 -0.221 1.00 0.00 C ATOM 267 CH2 TRP A 17 3.679 -6.112 -0.089 1.00 0.00 C ATOM 0 H TRP A 17 1.483 -5.211 -6.948 1.00 0.00 H new ATOM 0 HA TRP A 17 -0.318 -5.417 -4.625 1.00 0.00 H new ATOM 0 HB2 TRP A 17 2.043 -3.641 -5.382 1.00 0.00 H new ATOM 0 HB3 TRP A 17 1.127 -3.407 -3.906 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.536 -6.586 -5.658 1.00 0.00 H new ATOM 0 HE1 TRP A 17 3.787 -8.024 -3.913 1.00 0.00 H new ATOM 0 HE3 TRP A 17 1.899 -3.605 -1.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.409 -7.868 -1.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.828 -4.273 0.639 1.00 0.00 H new ATOM 0 HH2 TRP A 17 4.083 -6.397 0.871 1.00 0.00 H new ATOM 278 N GLU A 18 -1.693 -3.278 -4.864 1.00 0.00 N ATOM 279 CA GLU A 18 -2.669 -2.206 -5.210 1.00 0.00 C ATOM 280 C GLU A 18 -2.688 -1.156 -4.096 1.00 0.00 C ATOM 281 O GLU A 18 -2.483 -1.461 -2.938 1.00 0.00 O ATOM 282 CB GLU A 18 -4.065 -2.816 -5.358 1.00 0.00 C ATOM 283 CG GLU A 18 -4.091 -3.742 -6.576 1.00 0.00 C ATOM 284 CD GLU A 18 -5.486 -4.349 -6.727 1.00 0.00 C ATOM 285 OE1 GLU A 18 -6.369 -3.948 -5.986 1.00 0.00 O ATOM 286 OE2 GLU A 18 -5.650 -5.204 -7.581 1.00 0.00 O ATOM 0 H GLU A 18 -1.816 -3.696 -3.942 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.376 -1.736 -6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.327 -3.373 -4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.808 -2.027 -5.472 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.826 -3.185 -7.475 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.350 -4.533 -6.461 1.00 0.00 H new ATOM 293 N ARG A 19 -2.932 0.081 -4.438 1.00 0.00 N ATOM 294 CA ARG A 19 -2.975 1.147 -3.400 1.00 0.00 C ATOM 295 C ARG A 19 -4.246 1.979 -3.576 1.00 0.00 C ATOM 296 O ARG A 19 -4.521 2.491 -4.643 1.00 0.00 O ATOM 297 CB ARG A 19 -1.749 2.051 -3.546 1.00 0.00 C ATOM 298 CG ARG A 19 -1.866 3.232 -2.581 1.00 0.00 C ATOM 299 CD ARG A 19 -0.826 4.292 -2.942 1.00 0.00 C ATOM 300 NE ARG A 19 -1.086 4.793 -4.322 1.00 0.00 N ATOM 301 CZ ARG A 19 -0.269 5.650 -4.869 1.00 0.00 C ATOM 302 NH1 ARG A 19 0.776 6.070 -4.210 1.00 0.00 N ATOM 303 NH2 ARG A 19 -0.498 6.089 -6.077 1.00 0.00 N ATOM 0 H ARG A 19 -3.103 0.398 -5.392 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.974 0.691 -2.410 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.841 1.486 -3.337 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.671 2.412 -4.571 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.868 3.658 -2.632 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.715 2.894 -1.556 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.869 5.116 -2.230 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.177 3.869 -2.880 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.903 4.466 -4.838 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.955 5.728 -3.266 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.414 6.740 -4.639 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.315 5.762 -6.592 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.140 6.759 -6.506 1.00 0.00 H new ATOM 317 N GLU A 20 -5.025 2.118 -2.538 1.00 0.00 N ATOM 318 CA GLU A 20 -6.283 2.909 -2.651 1.00 0.00 C ATOM 319 C GLU A 20 -6.348 3.931 -1.513 1.00 0.00 C ATOM 320 O GLU A 20 -6.007 3.640 -0.384 1.00 0.00 O ATOM 321 CB GLU A 20 -7.486 1.968 -2.562 1.00 0.00 C ATOM 322 CG GLU A 20 -8.657 2.697 -1.898 1.00 0.00 C ATOM 323 CD GLU A 20 -9.955 1.939 -2.175 1.00 0.00 C ATOM 324 OE1 GLU A 20 -9.953 1.106 -3.066 1.00 0.00 O ATOM 325 OE2 GLU A 20 -10.931 2.202 -1.491 1.00 0.00 O ATOM 0 H GLU A 20 -4.845 1.718 -1.617 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.300 3.431 -3.608 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.772 1.631 -3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.224 1.079 -1.988 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.490 2.772 -0.824 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.729 3.715 -2.281 1.00 0.00 H new ATOM 332 N GLU A 21 -6.785 5.126 -1.803 1.00 0.00 N ATOM 333 CA GLU A 21 -6.892 6.160 -0.735 1.00 0.00 C ATOM 334 C GLU A 21 -8.350 6.283 -0.293 1.00 0.00 C ATOM 335 O GLU A 21 -9.263 6.140 -1.083 1.00 0.00 O ATOM 336 CB GLU A 21 -6.407 7.506 -1.278 1.00 0.00 C ATOM 337 CG GLU A 21 -6.301 8.511 -0.130 1.00 0.00 C ATOM 338 CD GLU A 21 -5.747 9.835 -0.661 1.00 0.00 C ATOM 339 OE1 GLU A 21 -5.720 10.001 -1.870 1.00 0.00 O ATOM 340 OE2 GLU A 21 -5.362 10.662 0.151 1.00 0.00 O ATOM 0 H GLU A 21 -7.072 5.431 -2.733 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.277 5.870 0.117 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.438 7.387 -1.762 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.098 7.875 -2.036 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.281 8.669 0.321 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.650 8.119 0.652 1.00 0.00 H new ATOM 347 N VAL A 22 -8.581 6.548 0.964 1.00 0.00 N ATOM 348 CA VAL A 22 -9.983 6.661 1.457 1.00 0.00 C ATOM 349 C VAL A 22 -10.070 7.776 2.501 1.00 0.00 C ATOM 350 O VAL A 22 -9.397 7.745 3.512 1.00 0.00 O ATOM 351 CB VAL A 22 -10.408 5.335 2.091 1.00 0.00 C ATOM 352 CG1 VAL A 22 -11.934 5.254 2.132 1.00 0.00 C ATOM 353 CG2 VAL A 22 -9.858 4.174 1.260 1.00 0.00 C ATOM 0 H VAL A 22 -7.860 6.691 1.671 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.644 6.894 0.622 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.014 5.275 3.106 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.236 4.309 2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.326 6.081 2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.329 5.314 1.118 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.160 3.229 1.711 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.252 4.234 0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.770 4.231 1.231 1.00 0.00 H new ATOM 363 N PRO A 23 -10.903 8.749 2.253 1.00 0.00 N ATOM 364 CA PRO A 23 -11.113 9.891 3.189 1.00 0.00 C ATOM 365 C PRO A 23 -12.024 9.517 4.361 1.00 0.00 C ATOM 366 O PRO A 23 -12.957 8.751 4.215 1.00 0.00 O ATOM 367 CB PRO A 23 -11.776 10.956 2.315 1.00 0.00 C ATOM 368 CG PRO A 23 -12.500 10.200 1.249 1.00 0.00 C ATOM 369 CD PRO A 23 -11.736 8.869 1.047 1.00 0.00 C ATOM 0 HA PRO A 23 -10.179 10.221 3.645 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.463 11.570 2.897 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.034 11.629 1.885 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.533 10.012 1.542 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.531 10.773 0.322 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.421 8.027 0.950 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.128 8.891 0.143 1.00 0.00 H new ATOM 377 N ARG A 24 -11.763 10.050 5.523 1.00 0.00 N ATOM 378 CA ARG A 24 -12.622 9.730 6.698 1.00 0.00 C ATOM 379 C ARG A 24 -13.748 10.759 6.802 1.00 0.00 C ATOM 380 O ARG A 24 -13.808 11.708 6.045 1.00 0.00 O ATOM 381 CB ARG A 24 -11.775 9.769 7.972 1.00 0.00 C ATOM 382 CG ARG A 24 -10.571 10.686 7.758 1.00 0.00 C ATOM 383 CD ARG A 24 -11.055 12.112 7.484 1.00 0.00 C ATOM 384 NE ARG A 24 -10.992 12.386 6.021 1.00 0.00 N ATOM 385 CZ ARG A 24 -11.841 13.214 5.475 1.00 0.00 C ATOM 386 NH1 ARG A 24 -12.745 13.802 6.211 1.00 0.00 N ATOM 387 NH2 ARG A 24 -11.785 13.454 4.193 1.00 0.00 N ATOM 0 H ARG A 24 -10.993 10.692 5.710 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.051 8.735 6.576 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -12.374 10.128 8.809 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.439 8.764 8.229 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.929 10.672 8.639 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.972 10.327 6.921 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.076 12.236 7.844 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.437 12.828 8.026 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.286 11.927 5.446 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.788 13.615 7.213 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.408 14.449 5.784 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.078 12.995 3.619 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.448 14.101 3.766 1.00 0.00 H new ATOM 490 N HIS A 32 -8.551 14.432 6.645 1.00 0.00 N ATOM 491 CA HIS A 32 -7.434 13.448 6.722 1.00 0.00 C ATOM 492 C HIS A 32 -7.722 12.278 5.780 1.00 0.00 C ATOM 493 O HIS A 32 -8.765 11.658 5.843 1.00 0.00 O ATOM 494 CB HIS A 32 -7.309 12.929 8.157 1.00 0.00 C ATOM 495 CG HIS A 32 -6.817 14.036 9.047 1.00 0.00 C ATOM 496 ND1 HIS A 32 -7.653 15.044 9.507 1.00 0.00 N ATOM 497 CD2 HIS A 32 -5.577 14.307 9.576 1.00 0.00 C ATOM 498 CE1 HIS A 32 -6.914 15.868 10.274 1.00 0.00 C ATOM 499 NE2 HIS A 32 -5.645 15.461 10.347 1.00 0.00 N ATOM 0 HA HIS A 32 -6.502 13.931 6.428 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -8.274 12.566 8.510 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -6.619 12.086 8.192 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -4.688 13.715 9.417 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -7.300 16.748 10.768 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -4.884 15.904 10.861 1.00 0.00 H new ATOM 508 N ARG A 33 -6.803 11.969 4.906 1.00 0.00 N ATOM 509 CA ARG A 33 -7.021 10.832 3.967 1.00 0.00 C ATOM 510 C ARG A 33 -6.052 9.698 4.305 1.00 0.00 C ATOM 511 O ARG A 33 -4.849 9.859 4.248 1.00 0.00 O ATOM 512 CB ARG A 33 -6.774 11.302 2.531 1.00 0.00 C ATOM 513 CG ARG A 33 -7.820 12.352 2.151 1.00 0.00 C ATOM 514 CD ARG A 33 -7.117 13.625 1.676 1.00 0.00 C ATOM 515 NE ARG A 33 -6.330 13.330 0.445 1.00 0.00 N ATOM 516 CZ ARG A 33 -5.414 14.165 0.040 1.00 0.00 C ATOM 517 NH1 ARG A 33 -5.186 15.260 0.712 1.00 0.00 N ATOM 518 NH2 ARG A 33 -4.726 13.906 -1.038 1.00 0.00 N ATOM 0 H ARG A 33 -5.912 12.454 4.802 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.046 10.474 4.062 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.772 11.722 2.442 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.827 10.456 1.846 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.468 11.967 1.364 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.456 12.573 3.008 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.852 14.404 1.473 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.459 14.003 2.459 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.508 12.474 -0.081 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.724 15.463 1.554 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.469 15.913 0.395 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.905 13.050 -1.564 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.009 14.559 -1.355 1.00 0.00 H new ATOM 532 N ASP A 34 -6.565 8.552 4.658 1.00 0.00 N ATOM 533 CA ASP A 34 -5.674 7.410 5.002 1.00 0.00 C ATOM 534 C ASP A 34 -5.417 6.570 3.748 1.00 0.00 C ATOM 535 O ASP A 34 -6.304 6.335 2.954 1.00 0.00 O ATOM 536 CB ASP A 34 -6.345 6.541 6.068 1.00 0.00 C ATOM 537 CG ASP A 34 -6.387 7.303 7.394 1.00 0.00 C ATOM 538 OD1 ASP A 34 -5.776 8.355 7.469 1.00 0.00 O ATOM 539 OD2 ASP A 34 -7.031 6.821 8.311 1.00 0.00 O ATOM 0 H ASP A 34 -7.564 8.357 4.723 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.728 7.790 5.387 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.355 6.278 5.755 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.796 5.607 6.190 1.00 0.00 H new ATOM 544 N VAL A 35 -4.207 6.116 3.566 1.00 0.00 N ATOM 545 CA VAL A 35 -3.894 5.289 2.366 1.00 0.00 C ATOM 546 C VAL A 35 -3.717 3.829 2.787 1.00 0.00 C ATOM 547 O VAL A 35 -2.895 3.508 3.623 1.00 0.00 O ATOM 548 CB VAL A 35 -2.604 5.795 1.721 1.00 0.00 C ATOM 549 CG1 VAL A 35 -2.540 5.322 0.267 1.00 0.00 C ATOM 550 CG2 VAL A 35 -2.581 7.325 1.761 1.00 0.00 C ATOM 0 H VAL A 35 -3.422 6.282 4.196 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.711 5.364 1.649 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.746 5.403 2.268 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.620 5.683 -0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.557 4.233 0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.397 5.713 -0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.661 7.687 1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.439 7.716 1.214 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.626 7.663 2.796 1.00 0.00 H new ATOM 560 N PHE A 36 -4.480 2.940 2.213 1.00 0.00 N ATOM 561 CA PHE A 36 -4.348 1.501 2.574 1.00 0.00 C ATOM 562 C PHE A 36 -3.677 0.746 1.424 1.00 0.00 C ATOM 563 O PHE A 36 -3.941 0.997 0.265 1.00 0.00 O ATOM 564 CB PHE A 36 -5.735 0.909 2.831 1.00 0.00 C ATOM 565 CG PHE A 36 -6.370 1.607 4.009 1.00 0.00 C ATOM 566 CD1 PHE A 36 -7.114 2.777 3.813 1.00 0.00 C ATOM 567 CD2 PHE A 36 -6.214 1.085 5.299 1.00 0.00 C ATOM 568 CE1 PHE A 36 -7.701 3.424 4.905 1.00 0.00 C ATOM 569 CE2 PHE A 36 -6.801 1.734 6.393 1.00 0.00 C ATOM 570 CZ PHE A 36 -7.545 2.903 6.195 1.00 0.00 C ATOM 0 H PHE A 36 -5.189 3.148 1.510 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.741 1.407 3.474 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.361 1.024 1.946 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.655 -0.160 3.028 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.235 3.180 2.818 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.641 0.182 5.451 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.275 4.326 4.753 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.680 1.333 7.388 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.999 3.403 7.038 1.00 0.00 H new ATOM 580 N TYR A 37 -2.809 -0.177 1.736 1.00 0.00 N ATOM 581 CA TYR A 37 -2.109 -0.935 0.660 1.00 0.00 C ATOM 582 C TYR A 37 -2.624 -2.375 0.633 1.00 0.00 C ATOM 583 O TYR A 37 -2.892 -2.968 1.658 1.00 0.00 O ATOM 584 CB TYR A 37 -0.603 -0.936 0.934 1.00 0.00 C ATOM 585 CG TYR A 37 -0.041 0.438 0.659 1.00 0.00 C ATOM 586 CD1 TYR A 37 -0.122 1.437 1.637 1.00 0.00 C ATOM 587 CD2 TYR A 37 0.561 0.714 -0.574 1.00 0.00 C ATOM 588 CE1 TYR A 37 0.398 2.711 1.381 1.00 0.00 C ATOM 589 CE2 TYR A 37 1.083 1.987 -0.829 1.00 0.00 C ATOM 590 CZ TYR A 37 1.001 2.987 0.147 1.00 0.00 C ATOM 591 OH TYR A 37 1.515 4.242 -0.105 1.00 0.00 O ATOM 0 H TYR A 37 -2.554 -0.439 2.688 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.303 -0.462 -0.303 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.411 -1.219 1.969 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.108 -1.676 0.304 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.586 1.224 2.589 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.623 -0.056 -1.329 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.334 3.482 2.135 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.550 2.198 -1.780 1.00 0.00 H new ATOM 0 HH TYR A 37 1.745 4.677 0.742 1.00 0.00 H new ATOM 601 N TYR A 38 -2.766 -2.942 -0.534 1.00 0.00 N ATOM 602 CA TYR A 38 -3.269 -4.341 -0.627 1.00 0.00 C ATOM 603 C TYR A 38 -2.291 -5.182 -1.453 1.00 0.00 C ATOM 604 O TYR A 38 -1.770 -4.738 -2.455 1.00 0.00 O ATOM 605 CB TYR A 38 -4.642 -4.345 -1.301 1.00 0.00 C ATOM 606 CG TYR A 38 -5.599 -3.497 -0.498 1.00 0.00 C ATOM 607 CD1 TYR A 38 -5.656 -2.114 -0.712 1.00 0.00 C ATOM 608 CD2 TYR A 38 -6.429 -4.093 0.458 1.00 0.00 C ATOM 609 CE1 TYR A 38 -6.543 -1.327 0.032 1.00 0.00 C ATOM 610 CE2 TYR A 38 -7.317 -3.306 1.202 1.00 0.00 C ATOM 611 CZ TYR A 38 -7.374 -1.923 0.989 1.00 0.00 C ATOM 612 OH TYR A 38 -8.250 -1.148 1.721 1.00 0.00 O ATOM 0 H TYR A 38 -2.555 -2.496 -1.427 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.355 -4.764 0.374 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.561 -3.959 -2.317 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.019 -5.365 -1.377 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.016 -1.655 -1.451 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.385 -5.160 0.622 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.587 -0.260 -0.132 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.958 -3.766 1.940 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.753 -1.718 2.340 1.00 0.00 H new ATOM 622 N SER A 39 -2.042 -6.394 -1.038 1.00 0.00 N ATOM 623 CA SER A 39 -1.107 -7.265 -1.805 1.00 0.00 C ATOM 624 C SER A 39 -1.911 -8.230 -2.679 1.00 0.00 C ATOM 625 O SER A 39 -3.099 -8.404 -2.497 1.00 0.00 O ATOM 626 CB SER A 39 -0.240 -8.063 -0.831 1.00 0.00 C ATOM 627 OG SER A 39 1.115 -7.653 -0.965 1.00 0.00 O ATOM 0 H SER A 39 -2.445 -6.818 -0.202 1.00 0.00 H new ATOM 0 HA SER A 39 -0.470 -6.647 -2.437 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.581 -7.904 0.192 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.331 -9.130 -1.035 1.00 0.00 H new ATOM 0 HG SER A 39 1.202 -7.060 -1.740 1.00 0.00 H new ATOM 633 N PRO A 40 -1.259 -8.850 -3.624 1.00 0.00 N ATOM 634 CA PRO A 40 -1.909 -9.822 -4.551 1.00 0.00 C ATOM 635 C PRO A 40 -2.514 -11.017 -3.806 1.00 0.00 C ATOM 636 O PRO A 40 -3.360 -11.717 -4.324 1.00 0.00 O ATOM 637 CB PRO A 40 -0.767 -10.282 -5.459 1.00 0.00 C ATOM 638 CG PRO A 40 0.488 -9.945 -4.722 1.00 0.00 C ATOM 639 CD PRO A 40 0.173 -8.692 -3.912 1.00 0.00 C ATOM 0 HA PRO A 40 -2.739 -9.370 -5.093 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.830 -11.352 -5.658 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.804 -9.776 -6.424 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.791 -10.765 -4.071 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.311 -9.766 -5.414 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.767 -8.639 -2.999 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.375 -7.782 -4.477 1.00 0.00 H new ATOM 647 N SER A 41 -2.086 -11.252 -2.597 1.00 0.00 N ATOM 648 CA SER A 41 -2.646 -12.392 -1.817 1.00 0.00 C ATOM 649 C SER A 41 -3.883 -11.926 -1.048 1.00 0.00 C ATOM 650 O SER A 41 -4.508 -12.689 -0.338 1.00 0.00 O ATOM 651 CB SER A 41 -1.594 -12.901 -0.831 1.00 0.00 C ATOM 652 OG SER A 41 -1.457 -11.967 0.232 1.00 0.00 O ATOM 0 H SER A 41 -1.373 -10.705 -2.115 1.00 0.00 H new ATOM 0 HA SER A 41 -2.924 -13.196 -2.498 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.887 -13.875 -0.439 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.638 -13.036 -1.338 1.00 0.00 H new ATOM 0 HG SER A 41 -0.785 -12.291 0.867 1.00 0.00 H new ATOM 658 N GLY A 42 -4.241 -10.679 -1.182 1.00 0.00 N ATOM 659 CA GLY A 42 -5.439 -10.165 -0.459 1.00 0.00 C ATOM 660 C GLY A 42 -5.036 -9.731 0.952 1.00 0.00 C ATOM 661 O GLY A 42 -5.873 -9.501 1.804 1.00 0.00 O ATOM 0 H GLY A 42 -3.756 -9.993 -1.761 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.870 -9.323 -1.001 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.206 -10.938 -0.408 1.00 0.00 H new ATOM 665 N LYS A 43 -3.762 -9.617 1.208 1.00 0.00 N ATOM 666 CA LYS A 43 -3.308 -9.203 2.565 1.00 0.00 C ATOM 667 C LYS A 43 -3.474 -7.689 2.719 1.00 0.00 C ATOM 668 O LYS A 43 -2.864 -6.913 2.010 1.00 0.00 O ATOM 669 CB LYS A 43 -1.833 -9.575 2.745 1.00 0.00 C ATOM 670 CG LYS A 43 -1.338 -9.060 4.097 1.00 0.00 C ATOM 671 CD LYS A 43 0.144 -9.402 4.263 1.00 0.00 C ATOM 672 CE LYS A 43 0.678 -8.755 5.543 1.00 0.00 C ATOM 673 NZ LYS A 43 2.116 -9.105 5.713 1.00 0.00 N ATOM 0 H LYS A 43 -3.015 -9.793 0.536 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.907 -9.713 3.320 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.710 -10.657 2.689 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.238 -9.145 1.940 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.483 -7.982 4.162 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.918 -9.509 4.903 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.276 -10.483 4.307 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.709 -9.047 3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.559 -7.673 5.493 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.105 -9.099 6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.444 -8.782 6.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.233 -10.136 5.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.676 -8.642 4.969 1.00 0.00 H new ATOM 687 N LYS A 44 -4.294 -7.264 3.640 1.00 0.00 N ATOM 688 CA LYS A 44 -4.476 -5.801 3.858 1.00 0.00 C ATOM 689 C LYS A 44 -3.510 -5.325 4.945 1.00 0.00 C ATOM 690 O LYS A 44 -3.450 -5.881 6.023 1.00 0.00 O ATOM 691 CB LYS A 44 -5.915 -5.526 4.296 1.00 0.00 C ATOM 692 CG LYS A 44 -6.111 -4.020 4.488 1.00 0.00 C ATOM 693 CD LYS A 44 -7.555 -3.743 4.911 1.00 0.00 C ATOM 694 CE LYS A 44 -7.764 -2.235 5.054 1.00 0.00 C ATOM 695 NZ LYS A 44 -7.059 -1.750 6.275 1.00 0.00 N ATOM 0 H LYS A 44 -4.846 -7.866 4.251 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.271 -5.266 2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.612 -5.902 3.547 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.131 -6.053 5.225 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.421 -3.646 5.245 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.885 -3.492 3.562 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.246 -4.148 4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.771 -4.242 5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.384 -1.719 4.172 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.828 -2.009 5.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.129 -0.714 6.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.498 -2.170 7.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.058 -2.028 6.231 1.00 0.00 H new ATOM 709 N PHE A 45 -2.755 -4.296 4.672 1.00 0.00 N ATOM 710 CA PHE A 45 -1.794 -3.785 5.689 1.00 0.00 C ATOM 711 C PHE A 45 -1.788 -2.256 5.662 1.00 0.00 C ATOM 712 O PHE A 45 -1.963 -1.642 4.627 1.00 0.00 O ATOM 713 CB PHE A 45 -0.391 -4.307 5.371 1.00 0.00 C ATOM 714 CG PHE A 45 -0.163 -4.263 3.880 1.00 0.00 C ATOM 715 CD1 PHE A 45 -0.837 -5.159 3.041 1.00 0.00 C ATOM 716 CD2 PHE A 45 0.723 -3.325 3.335 1.00 0.00 C ATOM 717 CE1 PHE A 45 -0.625 -5.117 1.657 1.00 0.00 C ATOM 718 CE2 PHE A 45 0.935 -3.284 1.951 1.00 0.00 C ATOM 719 CZ PHE A 45 0.261 -4.180 1.113 1.00 0.00 C ATOM 0 H PHE A 45 -2.763 -3.787 3.788 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.094 -4.129 6.679 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.358 -3.702 5.882 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.280 -5.328 5.737 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.520 -5.882 3.461 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.243 -2.634 3.982 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.145 -5.808 1.010 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.618 -2.561 1.531 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.425 -4.148 0.046 1.00 0.00 H new ATOM 729 N ARG A 46 -1.587 -1.634 6.792 1.00 0.00 N ATOM 730 CA ARG A 46 -1.548 -0.145 6.826 1.00 0.00 C ATOM 731 C ARG A 46 -0.469 0.316 7.808 1.00 0.00 C ATOM 732 O ARG A 46 -0.744 1.002 8.771 1.00 0.00 O ATOM 733 CB ARG A 46 -2.909 0.391 7.276 1.00 0.00 C ATOM 734 CG ARG A 46 -3.423 -0.443 8.452 1.00 0.00 C ATOM 735 CD ARG A 46 -4.322 -1.563 7.928 1.00 0.00 C ATOM 736 NE ARG A 46 -4.375 -2.668 8.928 1.00 0.00 N ATOM 737 CZ ARG A 46 -5.174 -3.681 8.739 1.00 0.00 C ATOM 738 NH1 ARG A 46 -5.927 -3.730 7.675 1.00 0.00 N ATOM 739 NH2 ARG A 46 -5.220 -4.648 9.615 1.00 0.00 N ATOM 0 H ARG A 46 -1.448 -2.093 7.692 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.319 0.234 5.830 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.821 1.437 7.569 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.619 0.350 6.450 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.585 -0.864 9.007 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.978 0.189 9.145 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.325 -1.180 7.740 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.940 -1.936 6.978 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.786 -2.631 9.760 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.891 -2.975 6.990 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.552 -4.523 7.528 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.631 -4.611 10.447 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.845 -5.441 9.467 1.00 0.00 H new ATOM 753 N SER A 47 0.758 -0.059 7.573 1.00 0.00 N ATOM 754 CA SER A 47 1.855 0.361 8.490 1.00 0.00 C ATOM 755 C SER A 47 3.192 0.294 7.753 1.00 0.00 C ATOM 756 O SER A 47 3.413 -0.566 6.923 1.00 0.00 O ATOM 757 CB SER A 47 1.892 -0.575 9.700 1.00 0.00 C ATOM 758 OG SER A 47 2.377 0.139 10.830 1.00 0.00 O ATOM 0 H SER A 47 1.049 -0.638 6.785 1.00 0.00 H new ATOM 0 HA SER A 47 1.677 1.383 8.825 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.895 -0.966 9.903 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.534 -1.431 9.493 1.00 0.00 H new ATOM 0 HG SER A 47 2.401 -0.457 11.608 1.00 0.00 H new ATOM 764 N LYS A 48 4.089 1.196 8.047 1.00 0.00 N ATOM 765 CA LYS A 48 5.407 1.191 7.351 1.00 0.00 C ATOM 766 C LYS A 48 6.207 -0.040 7.784 1.00 0.00 C ATOM 767 O LYS A 48 6.780 -0.736 6.971 1.00 0.00 O ATOM 768 CB LYS A 48 6.182 2.458 7.719 1.00 0.00 C ATOM 769 CG LYS A 48 6.567 3.209 6.442 1.00 0.00 C ATOM 770 CD LYS A 48 7.685 4.206 6.754 1.00 0.00 C ATOM 771 CE LYS A 48 8.150 4.872 5.459 1.00 0.00 C ATOM 772 NZ LYS A 48 8.738 6.206 5.770 1.00 0.00 N ATOM 0 H LYS A 48 3.966 1.936 8.739 1.00 0.00 H new ATOM 0 HA LYS A 48 5.249 1.161 6.273 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.574 3.096 8.360 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.077 2.199 8.285 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.896 2.504 5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.700 3.733 6.040 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.329 4.960 7.456 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.520 3.694 7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.888 4.245 4.960 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.310 4.984 4.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.055 6.660 4.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.021 6.803 6.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.550 6.087 6.409 1.00 0.00 H new ATOM 786 N PRO A 49 6.241 -0.301 9.063 1.00 0.00 N ATOM 787 CA PRO A 49 6.985 -1.461 9.630 1.00 0.00 C ATOM 788 C PRO A 49 6.549 -2.790 9.006 1.00 0.00 C ATOM 789 O PRO A 49 7.365 -3.606 8.626 1.00 0.00 O ATOM 790 CB PRO A 49 6.631 -1.429 11.119 1.00 0.00 C ATOM 791 CG PRO A 49 6.217 -0.022 11.399 1.00 0.00 C ATOM 792 CD PRO A 49 5.572 0.488 10.107 1.00 0.00 C ATOM 0 HA PRO A 49 8.055 -1.389 9.435 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.826 -2.128 11.346 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.485 -1.716 11.732 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.513 0.021 12.230 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.075 0.590 11.676 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.494 0.327 10.104 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.735 1.557 9.970 1.00 0.00 H new ATOM 800 N GLN A 50 5.268 -3.014 8.898 1.00 0.00 N ATOM 801 CA GLN A 50 4.782 -4.287 8.295 1.00 0.00 C ATOM 802 C GLN A 50 5.147 -4.319 6.810 1.00 0.00 C ATOM 803 O GLN A 50 5.533 -5.341 6.279 1.00 0.00 O ATOM 804 CB GLN A 50 3.262 -4.376 8.450 1.00 0.00 C ATOM 805 CG GLN A 50 2.848 -5.844 8.587 1.00 0.00 C ATOM 806 CD GLN A 50 3.139 -6.581 7.279 1.00 0.00 C ATOM 807 OE1 GLN A 50 3.655 -7.681 7.290 1.00 0.00 O ATOM 808 NE2 GLN A 50 2.827 -6.017 6.144 1.00 0.00 N ATOM 0 H GLN A 50 4.537 -2.370 9.201 1.00 0.00 H new ATOM 0 HA GLN A 50 5.249 -5.132 8.802 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.942 -3.813 9.327 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.771 -3.928 7.586 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.392 -6.311 9.408 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.787 -5.913 8.827 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.394 -5.094 6.135 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.016 -6.500 5.266 1.00 0.00 H new ATOM 817 N LEU A 51 5.026 -3.210 6.135 1.00 0.00 N ATOM 818 CA LEU A 51 5.355 -3.181 4.683 1.00 0.00 C ATOM 819 C LEU A 51 6.848 -3.457 4.492 1.00 0.00 C ATOM 820 O LEU A 51 7.242 -4.241 3.651 1.00 0.00 O ATOM 821 CB LEU A 51 5.015 -1.803 4.110 1.00 0.00 C ATOM 822 CG LEU A 51 5.395 -1.758 2.629 1.00 0.00 C ATOM 823 CD1 LEU A 51 4.651 -2.863 1.876 1.00 0.00 C ATOM 824 CD2 LEU A 51 5.008 -0.397 2.046 1.00 0.00 C ATOM 0 H LEU A 51 4.713 -2.322 6.527 1.00 0.00 H new ATOM 0 HA LEU A 51 4.775 -3.944 4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.951 -1.600 4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.551 -1.028 4.658 1.00 0.00 H new ATOM 0 HG LEU A 51 6.470 -1.908 2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.922 -2.830 0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.924 -3.833 2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.576 -2.714 1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.278 -0.363 0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.933 -0.249 2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.537 0.392 2.581 1.00 0.00 H new ATOM 836 N ALA A 52 7.682 -2.820 5.268 1.00 0.00 N ATOM 837 CA ALA A 52 9.150 -3.035 5.119 1.00 0.00 C ATOM 838 C ALA A 52 9.510 -4.442 5.596 1.00 0.00 C ATOM 839 O ALA A 52 10.255 -5.155 4.951 1.00 0.00 O ATOM 840 CB ALA A 52 9.903 -2.002 5.960 1.00 0.00 C ATOM 0 H ALA A 52 7.411 -2.161 5.998 1.00 0.00 H new ATOM 0 HA ALA A 52 9.430 -2.925 4.071 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.976 -2.158 5.852 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.646 -0.999 5.620 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.624 -2.113 7.008 1.00 0.00 H new ATOM 846 N ARG A 53 8.990 -4.850 6.721 1.00 0.00 N ATOM 847 CA ARG A 53 9.310 -6.210 7.240 1.00 0.00 C ATOM 848 C ARG A 53 8.860 -7.263 6.227 1.00 0.00 C ATOM 849 O ARG A 53 9.565 -8.212 5.949 1.00 0.00 O ATOM 850 CB ARG A 53 8.581 -6.433 8.567 1.00 0.00 C ATOM 851 CG ARG A 53 8.968 -7.798 9.138 1.00 0.00 C ATOM 852 CD ARG A 53 8.250 -8.016 10.472 1.00 0.00 C ATOM 853 NE ARG A 53 8.744 -9.271 11.102 1.00 0.00 N ATOM 854 CZ ARG A 53 8.168 -10.411 10.827 1.00 0.00 C ATOM 855 NH1 ARG A 53 7.160 -10.448 9.999 1.00 0.00 N ATOM 856 NH2 ARG A 53 8.601 -11.511 11.379 1.00 0.00 N ATOM 0 H ARG A 53 8.358 -4.301 7.303 1.00 0.00 H new ATOM 0 HA ARG A 53 10.385 -6.295 7.397 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.840 -5.645 9.274 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.503 -6.383 8.415 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.700 -8.587 8.435 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.047 -7.852 9.281 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.427 -7.169 11.135 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.173 -8.076 10.312 1.00 0.00 H new ATOM 0 HE ARG A 53 9.532 -9.241 11.749 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.823 -9.588 9.567 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.709 -11.337 9.783 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.389 -11.481 12.025 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.151 -12.401 11.164 1.00 0.00 H new ATOM 870 N TYR A 54 7.689 -7.103 5.673 1.00 0.00 N ATOM 871 CA TYR A 54 7.186 -8.107 4.692 1.00 0.00 C ATOM 872 C TYR A 54 8.115 -8.145 3.478 1.00 0.00 C ATOM 873 O TYR A 54 8.634 -9.179 3.112 1.00 0.00 O ATOM 874 CB TYR A 54 5.775 -7.719 4.244 1.00 0.00 C ATOM 875 CG TYR A 54 5.126 -8.894 3.553 1.00 0.00 C ATOM 876 CD1 TYR A 54 4.594 -9.945 4.310 1.00 0.00 C ATOM 877 CD2 TYR A 54 5.056 -8.934 2.155 1.00 0.00 C ATOM 878 CE1 TYR A 54 3.992 -11.035 3.669 1.00 0.00 C ATOM 879 CE2 TYR A 54 4.454 -10.023 1.514 1.00 0.00 C ATOM 880 CZ TYR A 54 3.922 -11.074 2.272 1.00 0.00 C ATOM 881 OH TYR A 54 3.329 -12.148 1.640 1.00 0.00 O ATOM 0 H TYR A 54 7.060 -6.322 5.857 1.00 0.00 H new ATOM 0 HA TYR A 54 7.161 -9.091 5.160 1.00 0.00 H new ATOM 0 HB2 TYR A 54 5.179 -7.415 5.105 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.818 -6.865 3.569 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.648 -9.915 5.388 1.00 0.00 H new ATOM 0 HD2 TYR A 54 5.467 -8.124 1.571 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.582 -11.846 4.253 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.400 -10.053 0.436 1.00 0.00 H new ATOM 0 HH TYR A 54 3.364 -12.016 0.670 1.00 0.00 H new ATOM 891 N LEU A 55 8.330 -7.020 2.849 1.00 0.00 N ATOM 892 CA LEU A 55 9.228 -6.992 1.660 1.00 0.00 C ATOM 893 C LEU A 55 10.662 -6.710 2.109 1.00 0.00 C ATOM 894 O LEU A 55 11.557 -6.553 1.304 1.00 0.00 O ATOM 895 CB LEU A 55 8.768 -5.893 0.700 1.00 0.00 C ATOM 896 CG LEU A 55 7.361 -6.213 0.194 1.00 0.00 C ATOM 897 CD1 LEU A 55 6.850 -5.054 -0.664 1.00 0.00 C ATOM 898 CD2 LEU A 55 7.401 -7.489 -0.649 1.00 0.00 C ATOM 0 H LEU A 55 7.923 -6.121 3.107 1.00 0.00 H new ATOM 0 HA LEU A 55 9.190 -7.956 1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.773 -4.928 1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.459 -5.816 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 55 6.694 -6.358 1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.847 -5.283 -1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.822 -4.143 -0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.517 -4.909 -1.514 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.398 -7.718 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.068 -7.343 -1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.765 -8.316 -0.040 1.00 0.00 H new ATOM 910 N GLY A 56 10.889 -6.644 3.393 1.00 0.00 N ATOM 911 CA GLY A 56 12.265 -6.364 3.893 1.00 0.00 C ATOM 912 C GLY A 56 13.264 -7.281 3.184 1.00 0.00 C ATOM 913 O GLY A 56 13.966 -6.868 2.284 1.00 0.00 O ATOM 0 H GLY A 56 10.182 -6.772 4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.523 -5.320 3.713 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.311 -6.523 4.970 1.00 0.00 H new ATOM 917 N GLY A 57 13.331 -8.520 3.583 1.00 0.00 N ATOM 918 CA GLY A 57 14.291 -9.459 2.937 1.00 0.00 C ATOM 919 C GLY A 57 13.942 -9.609 1.456 1.00 0.00 C ATOM 920 O GLY A 57 14.504 -10.429 0.755 1.00 0.00 O ATOM 0 H GLY A 57 12.763 -8.923 4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.309 -9.086 3.045 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.253 -10.430 3.430 1.00 0.00 H new ATOM 924 N SER A 58 13.018 -8.826 0.972 1.00 0.00 N ATOM 925 CA SER A 58 12.627 -8.930 -0.463 1.00 0.00 C ATOM 926 C SER A 58 13.136 -7.703 -1.221 1.00 0.00 C ATOM 927 O SER A 58 13.382 -7.752 -2.409 1.00 0.00 O ATOM 928 CB SER A 58 11.103 -9.002 -0.573 1.00 0.00 C ATOM 929 OG SER A 58 10.579 -7.686 -0.686 1.00 0.00 O ATOM 0 H SER A 58 12.516 -8.118 1.508 1.00 0.00 H new ATOM 0 HA SER A 58 13.065 -9.830 -0.894 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.817 -9.596 -1.441 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.686 -9.498 0.304 1.00 0.00 H new ATOM 0 HG SER A 58 11.088 -7.080 -0.108 1.00 0.00 H new ATOM 935 N MET A 59 13.298 -6.600 -0.542 1.00 0.00 N ATOM 936 CA MET A 59 13.788 -5.370 -1.226 1.00 0.00 C ATOM 937 C MET A 59 13.979 -4.255 -0.194 1.00 0.00 C ATOM 938 O MET A 59 13.576 -4.376 0.945 1.00 0.00 O ATOM 939 CB MET A 59 12.765 -4.927 -2.273 1.00 0.00 C ATOM 940 CG MET A 59 11.651 -4.127 -1.594 1.00 0.00 C ATOM 941 SD MET A 59 10.275 -3.908 -2.750 1.00 0.00 S ATOM 942 CE MET A 59 11.124 -2.801 -3.904 1.00 0.00 C ATOM 0 H MET A 59 13.112 -6.498 0.456 1.00 0.00 H new ATOM 0 HA MET A 59 14.739 -5.580 -1.715 1.00 0.00 H new ATOM 0 HB2 MET A 59 13.250 -4.319 -3.036 1.00 0.00 H new ATOM 0 HB3 MET A 59 12.346 -5.797 -2.778 1.00 0.00 H new ATOM 0 HG2 MET A 59 11.309 -4.647 -0.699 1.00 0.00 H new ATOM 0 HG3 MET A 59 12.029 -3.156 -1.274 1.00 0.00 H new ATOM 0 HE1 MET A 59 10.387 -2.244 -4.483 1.00 0.00 H new ATOM 0 HE2 MET A 59 11.749 -2.104 -3.346 1.00 0.00 H new ATOM 0 HE3 MET A 59 11.748 -3.388 -4.579 1.00 0.00 H new ATOM 952 N ASP A 60 14.589 -3.170 -0.586 1.00 0.00 N ATOM 953 CA ASP A 60 14.798 -2.046 0.371 1.00 0.00 C ATOM 954 C ASP A 60 13.697 -1.001 0.178 1.00 0.00 C ATOM 955 O ASP A 60 13.585 -0.391 -0.867 1.00 0.00 O ATOM 956 CB ASP A 60 16.163 -1.406 0.113 1.00 0.00 C ATOM 957 CG ASP A 60 16.246 -0.950 -1.346 1.00 0.00 C ATOM 958 OD1 ASP A 60 15.312 -1.217 -2.083 1.00 0.00 O ATOM 959 OD2 ASP A 60 17.243 -0.341 -1.699 1.00 0.00 O ATOM 0 H ASP A 60 14.951 -3.013 -1.526 1.00 0.00 H new ATOM 0 HA ASP A 60 14.762 -2.425 1.392 1.00 0.00 H new ATOM 0 HB2 ASP A 60 16.310 -0.556 0.780 1.00 0.00 H new ATOM 0 HB3 ASP A 60 16.958 -2.120 0.328 1.00 0.00 H new ATOM 964 N LEU A 61 12.886 -0.790 1.177 1.00 0.00 N ATOM 965 CA LEU A 61 11.785 0.207 1.044 1.00 0.00 C ATOM 966 C LEU A 61 12.066 1.402 1.958 1.00 0.00 C ATOM 967 O LEU A 61 11.191 2.192 2.248 1.00 0.00 O ATOM 968 CB LEU A 61 10.458 -0.443 1.447 1.00 0.00 C ATOM 969 CG LEU A 61 10.154 -1.610 0.506 1.00 0.00 C ATOM 970 CD1 LEU A 61 8.826 -2.253 0.904 1.00 0.00 C ATOM 971 CD2 LEU A 61 10.060 -1.093 -0.931 1.00 0.00 C ATOM 0 H LEU A 61 12.937 -1.264 2.079 1.00 0.00 H new ATOM 0 HA LEU A 61 11.725 0.547 0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.512 -0.797 2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.654 0.291 1.404 1.00 0.00 H new ATOM 0 HG LEU A 61 10.951 -2.351 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.609 -3.085 0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.892 -2.620 1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.028 -1.513 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.843 -1.923 -1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.263 -0.353 -1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.007 -0.634 -1.215 1.00 0.00 H new ATOM 983 N SER A 62 13.281 1.539 2.414 1.00 0.00 N ATOM 984 CA SER A 62 13.615 2.681 3.311 1.00 0.00 C ATOM 985 C SER A 62 13.313 3.999 2.592 1.00 0.00 C ATOM 986 O SER A 62 12.825 4.941 3.185 1.00 0.00 O ATOM 987 CB SER A 62 15.099 2.627 3.674 1.00 0.00 C ATOM 988 OG SER A 62 15.407 3.700 4.554 1.00 0.00 O ATOM 0 H SER A 62 14.056 0.910 2.204 1.00 0.00 H new ATOM 0 HA SER A 62 13.016 2.617 4.220 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.335 1.674 4.148 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.708 2.694 2.773 1.00 0.00 H new ATOM 0 HG SER A 62 16.358 3.667 4.790 1.00 0.00 H new ATOM 994 N THR A 63 13.601 4.072 1.322 1.00 0.00 N ATOM 995 CA THR A 63 13.332 5.329 0.569 1.00 0.00 C ATOM 996 C THR A 63 11.937 5.258 -0.058 1.00 0.00 C ATOM 997 O THR A 63 11.652 5.921 -1.036 1.00 0.00 O ATOM 998 CB THR A 63 14.379 5.497 -0.534 1.00 0.00 C ATOM 999 OG1 THR A 63 14.379 4.346 -1.365 1.00 0.00 O ATOM 1000 CG2 THR A 63 15.761 5.675 0.096 1.00 0.00 C ATOM 0 H THR A 63 14.011 3.316 0.773 1.00 0.00 H new ATOM 0 HA THR A 63 13.382 6.179 1.250 1.00 0.00 H new ATOM 0 HB THR A 63 14.139 6.376 -1.132 1.00 0.00 H new ATOM 0 HG1 THR A 63 15.048 4.454 -2.073 1.00 0.00 H new ATOM 0 HG21 THR A 63 16.507 5.795 -0.690 1.00 0.00 H new ATOM 0 HG22 THR A 63 15.760 6.560 0.732 1.00 0.00 H new ATOM 0 HG23 THR A 63 16.003 4.797 0.695 1.00 0.00 H new ATOM 1008 N PHE A 64 11.066 4.460 0.496 1.00 0.00 N ATOM 1009 CA PHE A 64 9.694 4.344 -0.073 1.00 0.00 C ATOM 1010 C PHE A 64 8.728 5.204 0.745 1.00 0.00 C ATOM 1011 O PHE A 64 8.632 5.074 1.949 1.00 0.00 O ATOM 1012 CB PHE A 64 9.243 2.882 -0.022 1.00 0.00 C ATOM 1013 CG PHE A 64 7.772 2.798 -0.354 1.00 0.00 C ATOM 1014 CD1 PHE A 64 7.325 3.124 -1.639 1.00 0.00 C ATOM 1015 CD2 PHE A 64 6.856 2.393 0.625 1.00 0.00 C ATOM 1016 CE1 PHE A 64 5.962 3.045 -1.948 1.00 0.00 C ATOM 1017 CE2 PHE A 64 5.492 2.313 0.317 1.00 0.00 C ATOM 1018 CZ PHE A 64 5.046 2.640 -0.970 1.00 0.00 C ATOM 0 H PHE A 64 11.245 3.883 1.318 1.00 0.00 H new ATOM 0 HA PHE A 64 9.699 4.687 -1.108 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.821 2.287 -0.729 1.00 0.00 H new ATOM 0 HB3 PHE A 64 9.427 2.468 0.969 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.032 3.437 -2.393 1.00 0.00 H new ATOM 0 HD2 PHE A 64 7.201 2.142 1.617 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.617 3.296 -2.940 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.785 2.000 1.071 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.994 2.580 -1.208 1.00 0.00 H new ATOM 1028 N ASP A 65 8.011 6.084 0.099 1.00 0.00 N ATOM 1029 CA ASP A 65 7.051 6.949 0.839 1.00 0.00 C ATOM 1030 C ASP A 65 5.735 6.194 1.038 1.00 0.00 C ATOM 1031 O ASP A 65 5.077 5.812 0.091 1.00 0.00 O ATOM 1032 CB ASP A 65 6.790 8.225 0.037 1.00 0.00 C ATOM 1033 CG ASP A 65 5.994 9.213 0.891 1.00 0.00 C ATOM 1034 OD1 ASP A 65 5.412 8.781 1.873 1.00 0.00 O ATOM 1035 OD2 ASP A 65 5.977 10.383 0.548 1.00 0.00 O ATOM 0 H ASP A 65 8.049 6.240 -0.908 1.00 0.00 H new ATOM 0 HA ASP A 65 7.472 7.211 1.810 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.735 8.673 -0.270 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.238 7.988 -0.873 1.00 0.00 H new ATOM 1040 N PHE A 66 5.345 5.977 2.265 1.00 0.00 N ATOM 1041 CA PHE A 66 4.077 5.238 2.523 1.00 0.00 C ATOM 1042 C PHE A 66 2.894 6.203 2.428 1.00 0.00 C ATOM 1043 O PHE A 66 1.813 5.836 2.015 1.00 0.00 O ATOM 1044 CB PHE A 66 4.122 4.621 3.923 1.00 0.00 C ATOM 1045 CG PHE A 66 2.814 3.923 4.209 1.00 0.00 C ATOM 1046 CD1 PHE A 66 2.637 2.586 3.830 1.00 0.00 C ATOM 1047 CD2 PHE A 66 1.779 4.612 4.851 1.00 0.00 C ATOM 1048 CE1 PHE A 66 1.425 1.940 4.096 1.00 0.00 C ATOM 1049 CE2 PHE A 66 0.566 3.964 5.116 1.00 0.00 C ATOM 1050 CZ PHE A 66 0.389 2.628 4.737 1.00 0.00 C ATOM 0 H PHE A 66 5.849 6.279 3.099 1.00 0.00 H new ATOM 0 HA PHE A 66 3.960 4.448 1.781 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.947 3.912 3.993 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.303 5.396 4.668 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.435 2.055 3.333 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.916 5.643 5.142 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.289 0.909 3.806 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.233 4.495 5.613 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.547 2.129 4.939 1.00 0.00 H new ATOM 1060 N ARG A 67 3.090 7.435 2.811 1.00 0.00 N ATOM 1061 CA ARG A 67 1.972 8.418 2.759 1.00 0.00 C ATOM 1062 C ARG A 67 1.580 8.670 1.302 1.00 0.00 C ATOM 1063 O ARG A 67 0.415 8.717 0.962 1.00 0.00 O ATOM 1064 CB ARG A 67 2.420 9.734 3.403 1.00 0.00 C ATOM 1065 CG ARG A 67 1.250 10.721 3.413 1.00 0.00 C ATOM 1066 CD ARG A 67 1.703 12.041 4.041 1.00 0.00 C ATOM 1067 NE ARG A 67 1.956 11.838 5.495 1.00 0.00 N ATOM 1068 CZ ARG A 67 2.760 12.641 6.135 1.00 0.00 C ATOM 1069 NH1 ARG A 67 3.343 13.623 5.501 1.00 0.00 N ATOM 1070 NH2 ARG A 67 2.983 12.463 7.408 1.00 0.00 N ATOM 0 H ARG A 67 3.976 7.803 3.158 1.00 0.00 H new ATOM 0 HA ARG A 67 1.114 8.021 3.301 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.767 9.554 4.421 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.260 10.155 2.850 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.896 10.892 2.397 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.414 10.306 3.976 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.608 12.398 3.550 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.940 12.806 3.897 1.00 0.00 H new ATOM 0 HE ARG A 67 1.501 11.071 5.990 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.169 13.762 4.506 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.972 14.251 6.001 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.529 11.696 7.903 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.612 13.091 7.908 1.00 0.00 H new ATOM 1084 N THR A 68 2.545 8.836 0.439 1.00 0.00 N ATOM 1085 CA THR A 68 2.226 9.088 -0.995 1.00 0.00 C ATOM 1086 C THR A 68 2.293 7.772 -1.772 1.00 0.00 C ATOM 1087 O THR A 68 1.803 7.667 -2.879 1.00 0.00 O ATOM 1088 CB THR A 68 3.239 10.076 -1.578 1.00 0.00 C ATOM 1089 OG1 THR A 68 4.548 9.708 -1.164 1.00 0.00 O ATOM 1090 CG2 THR A 68 2.924 11.487 -1.081 1.00 0.00 C ATOM 0 H THR A 68 3.539 8.808 0.665 1.00 0.00 H new ATOM 0 HA THR A 68 1.223 9.507 -1.075 1.00 0.00 H new ATOM 0 HB THR A 68 3.181 10.056 -2.666 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.971 10.464 -0.707 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.646 12.189 -1.497 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.920 11.769 -1.398 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.981 11.511 0.007 1.00 0.00 H new ATOM 1098 N GLY A 69 2.897 6.765 -1.202 1.00 0.00 N ATOM 1099 CA GLY A 69 2.982 5.453 -1.904 1.00 0.00 C ATOM 1100 C GLY A 69 3.824 5.606 -3.172 1.00 0.00 C ATOM 1101 O GLY A 69 3.354 5.377 -4.269 1.00 0.00 O ATOM 0 H GLY A 69 3.335 6.794 -0.281 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.427 4.705 -1.247 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.983 5.099 -2.159 1.00 0.00 H new ATOM 1105 N LYS A 70 5.062 5.993 -3.032 1.00 0.00 N ATOM 1106 CA LYS A 70 5.933 6.151 -4.230 1.00 0.00 C ATOM 1107 C LYS A 70 7.394 5.941 -3.828 1.00 0.00 C ATOM 1108 O LYS A 70 7.789 6.224 -2.713 1.00 0.00 O ATOM 1109 CB LYS A 70 5.759 7.557 -4.806 1.00 0.00 C ATOM 1110 CG LYS A 70 5.874 8.588 -3.681 1.00 0.00 C ATOM 1111 CD LYS A 70 5.641 9.990 -4.248 1.00 0.00 C ATOM 1112 CE LYS A 70 6.726 10.315 -5.274 1.00 0.00 C ATOM 1113 NZ LYS A 70 6.219 10.021 -6.644 1.00 0.00 N ATOM 0 H LYS A 70 5.508 6.207 -2.140 1.00 0.00 H new ATOM 0 HA LYS A 70 5.653 5.414 -4.983 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.517 7.746 -5.566 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.789 7.644 -5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.144 8.374 -2.901 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.860 8.530 -3.219 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.657 10.046 -4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.655 10.725 -3.444 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.011 11.364 -5.198 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.621 9.726 -5.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.913 9.437 -7.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.317 9.508 -6.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.073 10.913 -7.159 1.00 0.00 H new ATOM 1127 N MET A 71 8.202 5.449 -4.727 1.00 0.00 N ATOM 1128 CA MET A 71 9.637 5.221 -4.394 1.00 0.00 C ATOM 1129 C MET A 71 10.451 6.462 -4.764 1.00 0.00 C ATOM 1130 O MET A 71 10.472 6.886 -5.902 1.00 0.00 O ATOM 1131 CB MET A 71 10.156 4.015 -5.183 1.00 0.00 C ATOM 1132 CG MET A 71 11.605 3.731 -4.782 1.00 0.00 C ATOM 1133 SD MET A 71 12.185 2.243 -5.635 1.00 0.00 S ATOM 1134 CE MET A 71 11.830 1.066 -4.307 1.00 0.00 C ATOM 0 H MET A 71 7.931 5.195 -5.677 1.00 0.00 H new ATOM 0 HA MET A 71 9.737 5.028 -3.326 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.534 3.142 -4.985 1.00 0.00 H new ATOM 0 HB3 MET A 71 10.095 4.213 -6.253 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.238 4.580 -5.038 1.00 0.00 H new ATOM 0 HG3 MET A 71 11.675 3.595 -3.703 1.00 0.00 H new ATOM 0 HE1 MET A 71 12.116 0.063 -4.624 1.00 0.00 H new ATOM 0 HE2 MET A 71 12.396 1.341 -3.417 1.00 0.00 H new ATOM 0 HE3 MET A 71 10.764 1.085 -4.080 1.00 0.00 H new ATOM 1144 N LEU A 72 11.122 7.047 -3.811 1.00 0.00 N ATOM 1145 CA LEU A 72 11.932 8.263 -4.108 1.00 0.00 C ATOM 1146 C LEU A 72 13.069 7.897 -5.063 1.00 0.00 C ATOM 1147 CB LEU A 72 12.516 8.817 -2.807 1.00 0.00 C ATOM 1148 CG LEU A 72 12.832 10.304 -2.981 1.00 0.00 C ATOM 1149 CD1 LEU A 72 13.297 10.887 -1.646 1.00 0.00 C ATOM 1150 CD2 LEU A 72 13.941 10.468 -4.022 1.00 0.00 C ATOM 0 H LEU A 72 11.145 6.736 -2.840 1.00 0.00 H new ATOM 0 HA LEU A 72 11.297 9.018 -4.572 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.808 8.678 -1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.421 8.271 -2.541 1.00 0.00 H new ATOM 0 HG LEU A 72 11.937 10.830 -3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 72 13.522 11.946 -1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.509 10.768 -0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 72 14.192 10.363 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 72 14.168 11.527 -4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 72 14.835 9.942 -3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 72 13.611 10.052 -4.974 1.00 0.00 H new