USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 407 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 SER OG : rot 62:sc= -0.797 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 120:sc= -0.366 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 139:sc= 0.218 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.635 K(o=-0.64,f=-0.12) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc=-0.00984 X(o=-0.0098,f=0) USER MOD Single : A 53 ASN : amide:sc= -0.14 K(o=-0.14,f=-1.8!) USER MOD Single : A 66 CYS SG : rot -77:sc= -5.24! USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0872 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 9 -12.412 1.302 3.511 1.00 0.00 N ATOM 79 CA SER A 9 -11.474 0.195 3.437 1.00 0.00 C ATOM 80 C SER A 9 -12.228 -1.115 3.203 1.00 0.00 C ATOM 81 O SER A 9 -13.293 -1.334 3.779 1.00 0.00 O ATOM 82 CB SER A 9 -10.630 0.102 4.710 1.00 0.00 C ATOM 83 OG SER A 9 -9.671 -0.949 4.639 1.00 0.00 O ATOM 0 HA SER A 9 -10.800 0.373 2.599 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.118 1.050 4.875 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.283 -0.061 5.567 1.00 0.00 H new ATOM 0 HG SER A 9 -9.051 -0.777 3.900 1.00 0.00 H new ATOM 89 N LYS A 10 -11.647 -1.952 2.356 1.00 0.00 N ATOM 90 CA LYS A 10 -12.251 -3.235 2.039 1.00 0.00 C ATOM 91 C LYS A 10 -11.159 -4.304 1.964 1.00 0.00 C ATOM 92 O LYS A 10 -9.986 -3.985 1.774 1.00 0.00 O ATOM 93 CB LYS A 10 -13.097 -3.130 0.768 1.00 0.00 C ATOM 94 CG LYS A 10 -12.227 -2.783 -0.442 1.00 0.00 C ATOM 95 CD LYS A 10 -12.948 -3.119 -1.749 1.00 0.00 C ATOM 96 CE LYS A 10 -12.037 -3.910 -2.690 1.00 0.00 C ATOM 97 NZ LYS A 10 -12.334 -3.575 -4.101 1.00 0.00 N ATOM 0 H LYS A 10 -10.764 -1.767 1.880 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.939 -3.537 2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.613 -4.074 0.591 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.864 -2.367 0.900 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.977 -1.722 -0.423 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.287 -3.333 -0.389 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.846 -3.698 -1.535 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.271 -2.199 -2.237 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.993 -3.686 -2.469 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.175 -4.979 -2.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.707 -4.120 -4.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.325 -3.811 -4.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.179 -2.558 -4.256 1.00 0.00 H new ATOM 111 N PRO A 11 -11.594 -5.583 2.120 1.00 0.00 N ATOM 112 CA PRO A 11 -10.666 -6.700 2.072 1.00 0.00 C ATOM 113 C PRO A 11 -10.230 -6.988 0.634 1.00 0.00 C ATOM 114 O PRO A 11 -11.025 -7.459 -0.177 1.00 0.00 O ATOM 115 CB PRO A 11 -11.414 -7.860 2.710 1.00 0.00 C ATOM 116 CG PRO A 11 -12.885 -7.480 2.669 1.00 0.00 C ATOM 117 CD PRO A 11 -12.975 -5.997 2.347 1.00 0.00 C ATOM 0 HA PRO A 11 -9.738 -6.500 2.607 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.235 -8.787 2.165 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.081 -8.023 3.735 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.410 -8.067 1.915 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.361 -7.692 3.626 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.592 -5.820 1.466 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.426 -5.440 3.168 1.00 0.00 H new ATOM 125 N ILE A 12 -8.967 -6.694 0.363 1.00 0.00 N ATOM 126 CA ILE A 12 -8.415 -6.916 -0.963 1.00 0.00 C ATOM 127 C ILE A 12 -7.500 -8.142 -0.931 1.00 0.00 C ATOM 128 O ILE A 12 -7.189 -8.661 0.140 1.00 0.00 O ATOM 129 CB ILE A 12 -7.728 -5.649 -1.476 1.00 0.00 C ATOM 130 CG1 ILE A 12 -6.541 -5.270 -0.587 1.00 0.00 C ATOM 131 CG2 ILE A 12 -8.729 -4.500 -1.616 1.00 0.00 C ATOM 132 CD1 ILE A 12 -5.581 -4.334 -1.324 1.00 0.00 C ATOM 0 H ILE A 12 -8.310 -6.304 1.039 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.211 -7.130 -1.676 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.333 -5.854 -2.471 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.902 -4.786 0.320 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.011 -6.171 -0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.214 -3.612 -1.982 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.511 -4.783 -2.321 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.176 -4.286 -0.645 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.747 -4.080 -0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.203 -4.830 -2.218 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.108 -3.424 -1.610 1.00 0.00 H new ATOM 144 N LYS A 13 -7.094 -8.568 -2.118 1.00 0.00 N ATOM 145 CA LYS A 13 -6.221 -9.724 -2.240 1.00 0.00 C ATOM 146 C LYS A 13 -4.923 -9.305 -2.933 1.00 0.00 C ATOM 147 O LYS A 13 -4.948 -8.805 -4.056 1.00 0.00 O ATOM 148 CB LYS A 13 -6.948 -10.874 -2.939 1.00 0.00 C ATOM 149 CG LYS A 13 -7.338 -11.964 -1.939 1.00 0.00 C ATOM 150 CD LYS A 13 -6.183 -12.941 -1.714 1.00 0.00 C ATOM 151 CE LYS A 13 -6.610 -14.096 -0.806 1.00 0.00 C ATOM 152 NZ LYS A 13 -5.881 -14.041 0.481 1.00 0.00 N ATOM 0 H LYS A 13 -7.353 -8.134 -3.004 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.950 -10.102 -1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.841 -10.496 -3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.307 -11.297 -3.713 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.623 -11.508 -0.991 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.210 -12.505 -2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.843 -13.334 -2.672 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.339 -12.415 -1.267 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.684 -14.046 -0.625 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.414 -15.047 -1.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.183 -14.832 1.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.859 -14.111 0.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.089 -13.141 0.959 1.00 0.00 H new ATOM 166 N VAL A 14 -3.819 -9.526 -2.234 1.00 0.00 N ATOM 167 CA VAL A 14 -2.513 -9.178 -2.768 1.00 0.00 C ATOM 168 C VAL A 14 -1.693 -10.454 -2.969 1.00 0.00 C ATOM 169 O VAL A 14 -1.456 -11.200 -2.021 1.00 0.00 O ATOM 170 CB VAL A 14 -1.826 -8.163 -1.852 1.00 0.00 C ATOM 171 CG1 VAL A 14 -0.362 -7.966 -2.252 1.00 0.00 C ATOM 172 CG2 VAL A 14 -2.578 -6.831 -1.848 1.00 0.00 C ATOM 0 H VAL A 14 -3.802 -9.942 -1.303 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.614 -8.699 -3.742 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.845 -8.561 -0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.103 -7.240 -1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.166 -8.917 -2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.311 -7.601 -3.278 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.069 -6.128 -1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.606 -6.426 -2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.596 -6.989 -1.492 1.00 0.00 H new ATOM 182 N THR A 15 -1.281 -10.665 -4.211 1.00 0.00 N ATOM 183 CA THR A 15 -0.492 -11.837 -4.548 1.00 0.00 C ATOM 184 C THR A 15 1.002 -11.512 -4.482 1.00 0.00 C ATOM 185 O THR A 15 1.442 -10.489 -5.003 1.00 0.00 O ATOM 186 CB THR A 15 -0.945 -12.332 -5.923 1.00 0.00 C ATOM 187 OG1 THR A 15 -2.224 -12.911 -5.679 1.00 0.00 O ATOM 188 CG2 THR A 15 -0.099 -13.500 -6.433 1.00 0.00 C ATOM 0 H THR A 15 -1.479 -10.044 -4.996 1.00 0.00 H new ATOM 0 HA THR A 15 -0.650 -12.640 -3.828 1.00 0.00 H new ATOM 0 HB THR A 15 -0.898 -11.511 -6.638 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.592 -13.257 -6.519 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.463 -13.812 -7.412 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.942 -13.187 -6.516 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.172 -14.334 -5.735 1.00 0.00 H new ATOM 196 N LEU A 16 1.741 -12.403 -3.837 1.00 0.00 N ATOM 197 CA LEU A 16 3.175 -12.224 -3.695 1.00 0.00 C ATOM 198 C LEU A 16 3.848 -12.440 -5.052 1.00 0.00 C ATOM 199 O LEU A 16 3.258 -13.033 -5.954 1.00 0.00 O ATOM 200 CB LEU A 16 3.721 -13.127 -2.587 1.00 0.00 C ATOM 201 CG LEU A 16 3.285 -12.779 -1.162 1.00 0.00 C ATOM 202 CD1 LEU A 16 3.663 -13.894 -0.185 1.00 0.00 C ATOM 203 CD2 LEU A 16 3.849 -11.424 -0.731 1.00 0.00 C ATOM 0 H LEU A 16 1.373 -13.251 -3.407 1.00 0.00 H new ATOM 0 HA LEU A 16 3.403 -11.204 -3.384 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.417 -14.152 -2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.810 -13.102 -2.629 1.00 0.00 H new ATOM 0 HG LEU A 16 2.198 -12.694 -1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.342 -13.621 0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.173 -14.821 -0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.744 -14.035 -0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.524 -11.201 0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.938 -11.456 -0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.488 -10.648 -1.406 1.00 0.00 H new ATOM 215 N PRO A 17 5.107 -11.936 -5.157 1.00 0.00 N ATOM 216 CA PRO A 17 5.866 -12.068 -6.388 1.00 0.00 C ATOM 217 C PRO A 17 6.387 -13.496 -6.560 1.00 0.00 C ATOM 218 O PRO A 17 7.099 -13.790 -7.520 1.00 0.00 O ATOM 219 CB PRO A 17 6.979 -11.039 -6.276 1.00 0.00 C ATOM 220 CG PRO A 17 7.082 -10.694 -4.799 1.00 0.00 C ATOM 221 CD PRO A 17 5.838 -11.229 -4.109 1.00 0.00 C ATOM 0 HA PRO A 17 5.262 -11.886 -7.277 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.921 -11.441 -6.650 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.753 -10.153 -6.869 1.00 0.00 H new ATOM 0 HG2 PRO A 17 7.979 -11.136 -4.365 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.160 -9.615 -4.663 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.097 -11.897 -3.288 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.241 -10.421 -3.686 1.00 0.00 H new ATOM 229 N ASP A 18 6.012 -14.347 -5.616 1.00 0.00 N ATOM 230 CA ASP A 18 6.433 -15.737 -5.651 1.00 0.00 C ATOM 231 C ASP A 18 5.267 -16.606 -6.126 1.00 0.00 C ATOM 232 O ASP A 18 5.459 -17.767 -6.486 1.00 0.00 O ATOM 233 CB ASP A 18 6.849 -16.222 -4.261 1.00 0.00 C ATOM 234 CG ASP A 18 7.097 -17.728 -4.149 1.00 0.00 C ATOM 235 OD1 ASP A 18 7.925 -18.227 -4.940 1.00 0.00 O ATOM 236 OD2 ASP A 18 6.452 -18.345 -3.274 1.00 0.00 O ATOM 0 H ASP A 18 5.421 -14.100 -4.822 1.00 0.00 H new ATOM 0 HA ASP A 18 7.283 -15.815 -6.329 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.757 -15.696 -3.966 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.073 -15.943 -3.548 1.00 0.00 H new ATOM 241 N GLY A 19 4.083 -16.012 -6.112 1.00 0.00 N ATOM 242 CA GLY A 19 2.886 -16.717 -6.536 1.00 0.00 C ATOM 243 C GLY A 19 1.877 -16.823 -5.391 1.00 0.00 C ATOM 244 O GLY A 19 0.669 -16.824 -5.621 1.00 0.00 O ATOM 0 H GLY A 19 3.927 -15.049 -5.813 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.432 -16.195 -7.378 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.152 -17.715 -6.885 1.00 0.00 H new ATOM 248 N LYS A 20 2.410 -16.911 -4.181 1.00 0.00 N ATOM 249 CA LYS A 20 1.571 -17.017 -2.999 1.00 0.00 C ATOM 250 C LYS A 20 0.571 -15.860 -2.984 1.00 0.00 C ATOM 251 O LYS A 20 0.696 -14.915 -3.762 1.00 0.00 O ATOM 252 CB LYS A 20 2.432 -17.103 -1.737 1.00 0.00 C ATOM 253 CG LYS A 20 2.367 -18.503 -1.124 1.00 0.00 C ATOM 254 CD LYS A 20 1.525 -18.504 0.153 1.00 0.00 C ATOM 255 CE LYS A 20 2.410 -18.646 1.393 1.00 0.00 C ATOM 256 NZ LYS A 20 2.255 -17.470 2.278 1.00 0.00 N ATOM 0 H LYS A 20 3.413 -16.911 -3.994 1.00 0.00 H new ATOM 0 HA LYS A 20 0.991 -17.940 -3.024 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.465 -16.856 -1.980 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.091 -16.367 -1.009 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.941 -19.200 -1.845 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.375 -18.853 -0.900 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.951 -17.579 0.215 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.807 -19.323 0.119 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.144 -19.554 1.935 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.453 -18.748 1.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.862 -17.583 3.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.531 -16.609 1.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.263 -17.390 2.579 1.00 0.00 H new ATOM 270 N GLN A 21 -0.401 -15.972 -2.090 1.00 0.00 N ATOM 271 CA GLN A 21 -1.423 -14.946 -1.963 1.00 0.00 C ATOM 272 C GLN A 21 -1.595 -14.547 -0.496 1.00 0.00 C ATOM 273 O GLN A 21 -1.391 -15.364 0.401 1.00 0.00 O ATOM 274 CB GLN A 21 -2.749 -15.417 -2.562 1.00 0.00 C ATOM 275 CG GLN A 21 -2.541 -16.005 -3.959 1.00 0.00 C ATOM 276 CD GLN A 21 -3.882 -16.320 -4.627 1.00 0.00 C ATOM 277 OE1 GLN A 21 -4.297 -17.462 -4.737 1.00 0.00 O ATOM 278 NE2 GLN A 21 -4.534 -15.246 -5.064 1.00 0.00 N ATOM 0 H GLN A 21 -0.503 -16.757 -1.447 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.101 -14.068 -2.523 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.200 -16.166 -1.912 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.446 -14.580 -2.616 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.981 -15.301 -4.574 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.943 -16.914 -3.890 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.129 -14.318 -4.940 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.439 -15.350 -5.523 1.00 0.00 H new ATOM 287 N VAL A 22 -1.968 -13.292 -0.297 1.00 0.00 N ATOM 288 CA VAL A 22 -2.169 -12.775 1.046 1.00 0.00 C ATOM 289 C VAL A 22 -3.432 -11.911 1.071 1.00 0.00 C ATOM 290 O VAL A 22 -3.872 -11.419 0.033 1.00 0.00 O ATOM 291 CB VAL A 22 -0.921 -12.022 1.510 1.00 0.00 C ATOM 292 CG1 VAL A 22 -1.008 -11.681 2.999 1.00 0.00 C ATOM 293 CG2 VAL A 22 0.347 -12.823 1.205 1.00 0.00 C ATOM 0 H VAL A 22 -2.136 -12.617 -1.043 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.319 -13.593 1.751 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.869 -11.086 0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.108 -11.146 3.303 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.881 -11.054 3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.097 -12.600 3.578 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.220 -12.266 1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.305 -13.782 1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.420 -12.993 0.131 1.00 0.00 H new ATOM 303 N ASP A 23 -3.978 -11.752 2.267 1.00 0.00 N ATOM 304 CA ASP A 23 -5.181 -10.955 2.441 1.00 0.00 C ATOM 305 C ASP A 23 -4.801 -9.578 2.989 1.00 0.00 C ATOM 306 O ASP A 23 -4.150 -9.477 4.027 1.00 0.00 O ATOM 307 CB ASP A 23 -6.138 -11.613 3.438 1.00 0.00 C ATOM 308 CG ASP A 23 -5.531 -11.926 4.806 1.00 0.00 C ATOM 309 OD1 ASP A 23 -4.295 -11.784 4.925 1.00 0.00 O ATOM 310 OD2 ASP A 23 -6.317 -12.301 5.703 1.00 0.00 O ATOM 0 H ASP A 23 -3.610 -12.161 3.126 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.672 -10.870 1.472 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.998 -10.958 3.580 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.512 -12.540 3.002 1.00 0.00 H new ATOM 315 N ALA A 24 -5.224 -8.552 2.265 1.00 0.00 N ATOM 316 CA ALA A 24 -4.937 -7.185 2.666 1.00 0.00 C ATOM 317 C ALA A 24 -6.212 -6.347 2.556 1.00 0.00 C ATOM 318 O ALA A 24 -7.260 -6.854 2.158 1.00 0.00 O ATOM 319 CB ALA A 24 -3.798 -6.630 1.807 1.00 0.00 C ATOM 0 H ALA A 24 -5.763 -8.640 1.403 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.609 -7.150 3.705 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.582 -5.605 2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.907 -7.243 1.944 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.092 -6.646 0.758 1.00 0.00 H new ATOM 325 N GLU A 25 -6.081 -5.078 2.914 1.00 0.00 N ATOM 326 CA GLU A 25 -7.209 -4.165 2.860 1.00 0.00 C ATOM 327 C GLU A 25 -6.788 -2.837 2.226 1.00 0.00 C ATOM 328 O GLU A 25 -5.749 -2.280 2.577 1.00 0.00 O ATOM 329 CB GLU A 25 -7.802 -3.943 4.253 1.00 0.00 C ATOM 330 CG GLU A 25 -8.786 -5.059 4.614 1.00 0.00 C ATOM 331 CD GLU A 25 -9.217 -4.957 6.078 1.00 0.00 C ATOM 332 OE1 GLU A 25 -10.210 -4.240 6.329 1.00 0.00 O ATOM 333 OE2 GLU A 25 -8.544 -5.598 6.914 1.00 0.00 O ATOM 0 H GLU A 25 -5.210 -4.661 3.243 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.984 -4.613 2.238 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.001 -3.906 4.992 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.311 -2.980 4.286 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.662 -4.999 3.968 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.323 -6.029 4.434 1.00 0.00 H new ATOM 340 N SER A 26 -7.617 -2.369 1.305 1.00 0.00 N ATOM 341 CA SER A 26 -7.343 -1.118 0.619 1.00 0.00 C ATOM 342 C SER A 26 -7.350 0.040 1.619 1.00 0.00 C ATOM 343 O SER A 26 -8.352 0.279 2.290 1.00 0.00 O ATOM 344 CB SER A 26 -8.364 -0.864 -0.492 1.00 0.00 C ATOM 345 OG SER A 26 -9.690 -1.187 -0.083 1.00 0.00 O ATOM 0 H SER A 26 -8.479 -2.833 1.018 1.00 0.00 H new ATOM 0 HA SER A 26 -6.357 -1.189 0.161 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.322 0.183 -0.790 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.101 -1.456 -1.369 1.00 0.00 H new ATOM 0 HG SER A 26 -10.254 -0.387 -0.139 1.00 0.00 H new ATOM 351 N TRP A 27 -6.219 0.726 1.688 1.00 0.00 N ATOM 352 CA TRP A 27 -6.081 1.853 2.595 1.00 0.00 C ATOM 353 C TRP A 27 -5.983 1.303 4.020 1.00 0.00 C ATOM 354 O TRP A 27 -6.505 1.903 4.958 1.00 0.00 O ATOM 355 CB TRP A 27 -7.232 2.845 2.416 1.00 0.00 C ATOM 356 CG TRP A 27 -7.672 3.031 0.962 1.00 0.00 C ATOM 357 CD1 TRP A 27 -8.703 2.451 0.332 1.00 0.00 C ATOM 358 CD2 TRP A 27 -7.050 3.882 -0.023 1.00 0.00 C ATOM 359 NE1 TRP A 27 -8.789 2.864 -0.982 1.00 0.00 N ATOM 360 CE2 TRP A 27 -7.752 3.762 -1.205 1.00 0.00 C ATOM 361 CE3 TRP A 27 -5.930 4.726 0.081 1.00 0.00 C ATOM 362 CZ2 TRP A 27 -7.414 4.457 -2.372 1.00 0.00 C ATOM 363 CZ3 TRP A 27 -5.604 5.413 -1.094 1.00 0.00 C ATOM 364 CH2 TRP A 27 -6.301 5.303 -2.292 1.00 0.00 C ATOM 0 H TRP A 27 -5.389 0.523 1.131 1.00 0.00 H new ATOM 0 HA TRP A 27 -5.174 2.416 2.375 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -8.086 2.505 3.003 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -6.932 3.812 2.821 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -9.381 1.749 0.794 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -9.486 2.565 -1.664 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -5.366 4.835 0.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.981 4.347 -3.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.751 6.075 -1.068 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -5.985 5.867 -3.157 1.00 0.00 H new ATOM 375 N LYS A 28 -5.309 0.168 4.137 1.00 0.00 N ATOM 376 CA LYS A 28 -5.136 -0.469 5.431 1.00 0.00 C ATOM 377 C LYS A 28 -3.771 -1.160 5.476 1.00 0.00 C ATOM 378 O LYS A 28 -2.922 -0.813 6.296 1.00 0.00 O ATOM 379 CB LYS A 28 -6.309 -1.405 5.729 1.00 0.00 C ATOM 380 CG LYS A 28 -7.321 -0.735 6.661 1.00 0.00 C ATOM 381 CD LYS A 28 -7.912 -1.746 7.645 1.00 0.00 C ATOM 382 CE LYS A 28 -8.335 -1.062 8.947 1.00 0.00 C ATOM 383 NZ LYS A 28 -7.603 -1.638 10.097 1.00 0.00 N ATOM 0 H LYS A 28 -4.876 -0.327 3.357 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.143 0.276 6.226 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.799 -1.688 4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.940 -2.323 6.187 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.836 0.072 7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.120 -0.285 6.072 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.773 -2.239 7.193 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.177 -2.522 7.860 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.139 0.008 8.883 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.408 -1.181 9.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.902 -1.163 10.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.811 -2.655 10.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.581 -1.502 9.961 1.00 0.00 H new ATOM 397 N THR A 29 -3.603 -2.125 4.583 1.00 0.00 N ATOM 398 CA THR A 29 -2.356 -2.867 4.511 1.00 0.00 C ATOM 399 C THR A 29 -1.476 -2.323 3.384 1.00 0.00 C ATOM 400 O THR A 29 -1.984 -1.853 2.367 1.00 0.00 O ATOM 401 CB THR A 29 -2.698 -4.350 4.353 1.00 0.00 C ATOM 402 OG1 THR A 29 -3.386 -4.678 5.556 1.00 0.00 O ATOM 403 CG2 THR A 29 -1.455 -5.243 4.378 1.00 0.00 C ATOM 0 H THR A 29 -4.309 -2.410 3.904 1.00 0.00 H new ATOM 0 HA THR A 29 -1.771 -2.748 5.423 1.00 0.00 H new ATOM 0 HB THR A 29 -3.235 -4.501 3.416 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.646 -5.623 5.537 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.753 -6.285 4.262 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.789 -4.963 3.561 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.936 -5.118 5.328 1.00 0.00 H new ATOM 411 N THR A 30 -0.172 -2.405 3.602 1.00 0.00 N ATOM 412 CA THR A 30 0.784 -1.926 2.618 1.00 0.00 C ATOM 413 C THR A 30 1.687 -3.070 2.151 1.00 0.00 C ATOM 414 O THR A 30 1.611 -4.179 2.677 1.00 0.00 O ATOM 415 CB THR A 30 1.553 -0.757 3.235 1.00 0.00 C ATOM 416 OG1 THR A 30 2.691 -1.370 3.837 1.00 0.00 O ATOM 417 CG2 THR A 30 0.808 -0.120 4.410 1.00 0.00 C ATOM 0 H THR A 30 0.245 -2.796 4.446 1.00 0.00 H new ATOM 0 HA THR A 30 0.281 -1.564 1.721 1.00 0.00 H new ATOM 0 HB THR A 30 1.739 -0.002 2.471 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.484 -0.816 3.678 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.398 0.704 4.811 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.156 0.256 4.068 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.651 -0.866 5.189 1.00 0.00 H new ATOM 425 N PRO A 31 2.543 -2.752 1.143 1.00 0.00 N ATOM 426 CA PRO A 31 3.459 -3.739 0.600 1.00 0.00 C ATOM 427 C PRO A 31 4.626 -3.991 1.558 1.00 0.00 C ATOM 428 O PRO A 31 5.279 -5.030 1.487 1.00 0.00 O ATOM 429 CB PRO A 31 3.902 -3.171 -0.738 1.00 0.00 C ATOM 430 CG PRO A 31 3.584 -1.686 -0.686 1.00 0.00 C ATOM 431 CD PRO A 31 2.660 -1.448 0.497 1.00 0.00 C ATOM 0 HA PRO A 31 2.994 -4.716 0.469 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.967 -3.337 -0.899 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.376 -3.655 -1.561 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.499 -1.103 -0.579 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.108 -1.365 -1.613 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.072 -0.704 1.178 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.688 -1.078 0.172 1.00 0.00 H new ATOM 439 N TYR A 32 4.851 -3.020 2.432 1.00 0.00 N ATOM 440 CA TYR A 32 5.927 -3.123 3.403 1.00 0.00 C ATOM 441 C TYR A 32 5.574 -4.119 4.509 1.00 0.00 C ATOM 442 O TYR A 32 6.455 -4.774 5.064 1.00 0.00 O ATOM 443 CB TYR A 32 6.076 -1.729 4.016 1.00 0.00 C ATOM 444 CG TYR A 32 7.407 -1.506 4.737 1.00 0.00 C ATOM 445 CD1 TYR A 32 8.597 -1.719 4.070 1.00 0.00 C ATOM 446 CD2 TYR A 32 7.419 -1.090 6.052 1.00 0.00 C ATOM 447 CE1 TYR A 32 9.850 -1.509 4.748 1.00 0.00 C ATOM 448 CE2 TYR A 32 8.671 -0.879 6.730 1.00 0.00 C ATOM 449 CZ TYR A 32 9.825 -1.099 6.045 1.00 0.00 C ATOM 450 OH TYR A 32 11.009 -0.900 6.685 1.00 0.00 O ATOM 0 H TYR A 32 4.307 -2.159 2.488 1.00 0.00 H new ATOM 0 HA TYR A 32 6.843 -3.470 2.925 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.972 -0.983 3.228 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.261 -1.564 4.720 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.588 -2.043 3.040 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.488 -0.922 6.573 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.788 -1.673 4.239 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.693 -0.553 7.759 1.00 0.00 H new ATOM 0 HH TYR A 32 10.839 -0.608 7.605 1.00 0.00 H new ATOM 460 N GLN A 33 4.284 -4.202 4.797 1.00 0.00 N ATOM 461 CA GLN A 33 3.803 -5.108 5.827 1.00 0.00 C ATOM 462 C GLN A 33 3.743 -6.539 5.290 1.00 0.00 C ATOM 463 O GLN A 33 4.310 -7.454 5.886 1.00 0.00 O ATOM 464 CB GLN A 33 2.438 -4.663 6.355 1.00 0.00 C ATOM 465 CG GLN A 33 2.593 -3.725 7.554 1.00 0.00 C ATOM 466 CD GLN A 33 1.270 -3.028 7.879 1.00 0.00 C ATOM 467 OE1 GLN A 33 0.389 -3.579 8.520 1.00 0.00 O ATOM 468 NE2 GLN A 33 1.180 -1.789 7.404 1.00 0.00 N ATOM 0 H GLN A 33 3.556 -3.657 4.335 1.00 0.00 H new ATOM 0 HA GLN A 33 4.504 -5.083 6.661 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.885 -4.158 5.563 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.854 -5.536 6.645 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.933 -4.291 8.421 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.358 -2.979 7.340 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.955 -1.388 6.875 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.336 -1.240 7.568 1.00 0.00 H new ATOM 477 N ILE A 34 3.052 -6.688 4.170 1.00 0.00 N ATOM 478 CA ILE A 34 2.911 -7.993 3.545 1.00 0.00 C ATOM 479 C ILE A 34 4.259 -8.716 3.576 1.00 0.00 C ATOM 480 O ILE A 34 4.379 -9.788 4.168 1.00 0.00 O ATOM 481 CB ILE A 34 2.319 -7.854 2.141 1.00 0.00 C ATOM 482 CG1 ILE A 34 0.939 -7.195 2.191 1.00 0.00 C ATOM 483 CG2 ILE A 34 2.284 -9.205 1.425 1.00 0.00 C ATOM 484 CD1 ILE A 34 -0.026 -7.870 1.214 1.00 0.00 C ATOM 0 H ILE A 34 2.583 -5.927 3.679 1.00 0.00 H new ATOM 0 HA ILE A 34 2.206 -8.609 4.103 1.00 0.00 H new ATOM 0 HB ILE A 34 2.968 -7.199 1.560 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.539 -7.256 3.203 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.028 -6.136 1.947 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.859 -9.078 0.429 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.297 -9.598 1.340 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.671 -9.903 1.995 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.000 -7.383 1.269 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.365 -7.786 0.200 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.132 -8.923 1.476 1.00 0.00 H new ATOM 663 N ILE A 48 11.872 -1.185 -4.038 1.00 0.00 N ATOM 664 CA ILE A 48 10.588 -0.593 -4.370 1.00 0.00 C ATOM 665 C ILE A 48 9.552 -1.703 -4.557 1.00 0.00 C ATOM 666 O ILE A 48 9.867 -2.769 -5.084 1.00 0.00 O ATOM 667 CB ILE A 48 10.722 0.333 -5.581 1.00 0.00 C ATOM 668 CG1 ILE A 48 11.466 1.617 -5.210 1.00 0.00 C ATOM 669 CG2 ILE A 48 9.355 0.623 -6.204 1.00 0.00 C ATOM 670 CD1 ILE A 48 10.656 2.454 -4.218 1.00 0.00 C ATOM 0 HA ILE A 48 10.237 0.037 -3.553 1.00 0.00 H new ATOM 0 HB ILE A 48 11.318 -0.178 -6.337 1.00 0.00 H new ATOM 0 HG12 ILE A 48 12.434 1.368 -4.775 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.661 2.201 -6.109 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.479 1.283 -7.062 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.897 -0.312 -6.528 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.713 1.104 -5.466 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.208 3.361 -3.971 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.699 2.722 -4.665 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.483 1.876 -3.310 1.00 0.00 H new ATOM 682 N ALA A 49 8.337 -1.415 -4.115 1.00 0.00 N ATOM 683 CA ALA A 49 7.253 -2.376 -4.227 1.00 0.00 C ATOM 684 C ALA A 49 6.323 -1.959 -5.368 1.00 0.00 C ATOM 685 O ALA A 49 5.921 -0.800 -5.453 1.00 0.00 O ATOM 686 CB ALA A 49 6.521 -2.480 -2.887 1.00 0.00 C ATOM 0 H ALA A 49 8.079 -0.530 -3.679 1.00 0.00 H new ATOM 0 HA ALA A 49 7.642 -3.366 -4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.708 -3.201 -2.972 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.218 -2.808 -2.116 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.115 -1.505 -2.618 1.00 0.00 H new ATOM 692 N LYS A 50 6.007 -2.927 -6.216 1.00 0.00 N ATOM 693 CA LYS A 50 5.132 -2.675 -7.348 1.00 0.00 C ATOM 694 C LYS A 50 3.711 -3.121 -6.998 1.00 0.00 C ATOM 695 O LYS A 50 3.518 -4.175 -6.393 1.00 0.00 O ATOM 696 CB LYS A 50 5.689 -3.332 -8.612 1.00 0.00 C ATOM 697 CG LYS A 50 6.673 -2.403 -9.326 1.00 0.00 C ATOM 698 CD LYS A 50 6.916 -2.862 -10.765 1.00 0.00 C ATOM 699 CE LYS A 50 7.285 -1.679 -11.662 1.00 0.00 C ATOM 700 NZ LYS A 50 7.042 -2.012 -13.084 1.00 0.00 N ATOM 0 H LYS A 50 6.342 -3.888 -6.141 1.00 0.00 H new ATOM 0 HA LYS A 50 5.087 -1.608 -7.565 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.189 -4.265 -8.351 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.870 -3.586 -9.285 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.283 -1.385 -9.326 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.618 -2.382 -8.783 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.717 -3.602 -10.784 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.021 -3.351 -11.151 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.697 -0.805 -11.381 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.333 -1.418 -11.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.297 -1.199 -13.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.621 -2.833 -13.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.036 -2.239 -13.220 1.00 0.00 H new ATOM 714 N VAL A 51 2.752 -2.296 -7.392 1.00 0.00 N ATOM 715 CA VAL A 51 1.355 -2.592 -7.127 1.00 0.00 C ATOM 716 C VAL A 51 0.574 -2.563 -8.443 1.00 0.00 C ATOM 717 O VAL A 51 0.231 -1.492 -8.941 1.00 0.00 O ATOM 718 CB VAL A 51 0.803 -1.620 -6.082 1.00 0.00 C ATOM 719 CG1 VAL A 51 -0.726 -1.670 -6.040 1.00 0.00 C ATOM 720 CG2 VAL A 51 1.399 -1.903 -4.702 1.00 0.00 C ATOM 0 H VAL A 51 2.915 -1.423 -7.893 1.00 0.00 H new ATOM 0 HA VAL A 51 1.249 -3.593 -6.708 1.00 0.00 H new ATOM 0 HB VAL A 51 1.097 -0.612 -6.374 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.092 -0.970 -5.289 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.126 -1.397 -7.017 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.050 -2.679 -5.784 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.990 -1.198 -3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.149 -2.920 -4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.483 -1.793 -4.744 1.00 0.00 H new ATOM 730 N ASN A 52 0.315 -3.751 -8.967 1.00 0.00 N ATOM 731 CA ASN A 52 -0.420 -3.875 -10.215 1.00 0.00 C ATOM 732 C ASN A 52 0.505 -3.526 -11.382 1.00 0.00 C ATOM 733 O ASN A 52 0.042 -3.106 -12.442 1.00 0.00 O ATOM 734 CB ASN A 52 -1.610 -2.915 -10.251 1.00 0.00 C ATOM 735 CG ASN A 52 -2.729 -3.461 -11.140 1.00 0.00 C ATOM 736 OD1 ASN A 52 -2.943 -3.017 -12.256 1.00 0.00 O ATOM 737 ND2 ASN A 52 -3.427 -4.448 -10.586 1.00 0.00 N ATOM 0 H ASN A 52 0.601 -4.637 -8.551 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.782 -4.900 -10.293 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.987 -2.760 -9.240 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.286 -1.943 -10.623 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.194 -4.881 -11.100 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.195 -4.772 -9.647 1.00 0.00 H new ATOM 744 N ASN A 53 1.796 -3.713 -11.150 1.00 0.00 N ATOM 745 CA ASN A 53 2.790 -3.423 -12.169 1.00 0.00 C ATOM 746 C ASN A 53 3.095 -1.924 -12.166 1.00 0.00 C ATOM 747 O ASN A 53 3.617 -1.391 -13.144 1.00 0.00 O ATOM 748 CB ASN A 53 2.277 -3.799 -13.561 1.00 0.00 C ATOM 749 CG ASN A 53 3.437 -4.138 -14.499 1.00 0.00 C ATOM 750 OD1 ASN A 53 4.519 -4.515 -14.080 1.00 0.00 O ATOM 751 ND2 ASN A 53 3.152 -3.983 -15.789 1.00 0.00 N ATOM 0 H ASN A 53 2.177 -4.062 -10.270 1.00 0.00 H new ATOM 0 HA ASN A 53 3.683 -4.006 -11.944 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.604 -4.653 -13.486 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.699 -2.973 -13.975 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.860 -4.183 -16.495 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.225 -3.664 -16.072 1.00 0.00 H new ATOM 758 N VAL A 54 2.756 -1.286 -11.056 1.00 0.00 N ATOM 759 CA VAL A 54 2.987 0.142 -10.913 1.00 0.00 C ATOM 760 C VAL A 54 3.728 0.405 -9.600 1.00 0.00 C ATOM 761 O VAL A 54 3.305 -0.056 -8.541 1.00 0.00 O ATOM 762 CB VAL A 54 1.661 0.899 -11.013 1.00 0.00 C ATOM 763 CG1 VAL A 54 0.583 0.032 -11.667 1.00 0.00 C ATOM 764 CG2 VAL A 54 1.207 1.394 -9.639 1.00 0.00 C ATOM 0 H VAL A 54 2.323 -1.731 -10.247 1.00 0.00 H new ATOM 0 HA VAL A 54 3.618 0.510 -11.722 1.00 0.00 H new ATOM 0 HB VAL A 54 1.820 1.771 -11.647 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.349 0.594 -11.726 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.902 -0.249 -12.671 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.428 -0.867 -11.071 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.262 1.929 -9.739 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.074 0.543 -8.971 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.961 2.064 -9.226 1.00 0.00 H new ATOM 774 N VAL A 55 4.821 1.146 -9.713 1.00 0.00 N ATOM 775 CA VAL A 55 5.624 1.476 -8.549 1.00 0.00 C ATOM 776 C VAL A 55 4.704 1.900 -7.403 1.00 0.00 C ATOM 777 O VAL A 55 3.773 2.679 -7.605 1.00 0.00 O ATOM 778 CB VAL A 55 6.658 2.544 -8.912 1.00 0.00 C ATOM 779 CG1 VAL A 55 7.298 3.137 -7.655 1.00 0.00 C ATOM 780 CG2 VAL A 55 7.722 1.978 -9.854 1.00 0.00 C ATOM 0 H VAL A 55 5.169 1.527 -10.593 1.00 0.00 H new ATOM 0 HA VAL A 55 6.183 0.603 -8.211 1.00 0.00 H new ATOM 0 HB VAL A 55 6.140 3.348 -9.435 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.029 3.893 -7.941 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.527 3.594 -7.035 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.795 2.347 -7.092 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.445 2.757 -10.097 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.233 1.147 -9.368 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.247 1.626 -10.770 1.00 0.00 H new ATOM 790 N TRP A 56 4.996 1.369 -6.224 1.00 0.00 N ATOM 791 CA TRP A 56 4.206 1.683 -5.046 1.00 0.00 C ATOM 792 C TRP A 56 5.162 1.829 -3.860 1.00 0.00 C ATOM 793 O TRP A 56 6.051 1.000 -3.670 1.00 0.00 O ATOM 794 CB TRP A 56 3.123 0.628 -4.814 1.00 0.00 C ATOM 795 CG TRP A 56 1.849 1.174 -4.165 1.00 0.00 C ATOM 796 CD1 TRP A 56 1.558 1.254 -2.860 1.00 0.00 C ATOM 797 CD2 TRP A 56 0.701 1.718 -4.850 1.00 0.00 C ATOM 798 NE1 TRP A 56 0.310 1.807 -2.654 1.00 0.00 N ATOM 799 CE2 TRP A 56 -0.228 2.098 -3.902 1.00 0.00 C ATOM 800 CE3 TRP A 56 0.454 1.883 -6.224 1.00 0.00 C ATOM 801 CZ2 TRP A 56 -1.465 2.666 -4.226 1.00 0.00 C ATOM 802 CZ3 TRP A 56 -0.787 2.452 -6.531 1.00 0.00 C ATOM 803 CH2 TRP A 56 -1.732 2.840 -5.589 1.00 0.00 C ATOM 0 H TRP A 56 5.769 0.724 -6.060 1.00 0.00 H new ATOM 0 HA TRP A 56 3.672 2.623 -5.180 1.00 0.00 H new ATOM 0 HB2 TRP A 56 2.865 0.172 -5.770 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.530 -0.162 -4.183 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.217 0.927 -2.069 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -0.136 1.972 -1.751 1.00 0.00 H new ATOM 0 HE3 TRP A 56 1.166 1.593 -6.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.175 2.955 -3.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.027 2.600 -7.573 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.668 3.274 -5.907 1.00 0.00 H new ATOM 814 N ASP A 57 4.948 2.888 -3.094 1.00 0.00 N ATOM 815 CA ASP A 57 5.779 3.153 -1.933 1.00 0.00 C ATOM 816 C ASP A 57 5.447 2.143 -0.832 1.00 0.00 C ATOM 817 O ASP A 57 4.290 1.758 -0.667 1.00 0.00 O ATOM 818 CB ASP A 57 5.524 4.556 -1.380 1.00 0.00 C ATOM 819 CG ASP A 57 5.979 5.701 -2.287 1.00 0.00 C ATOM 820 OD1 ASP A 57 5.636 5.645 -3.488 1.00 0.00 O ATOM 821 OD2 ASP A 57 6.660 6.607 -1.759 1.00 0.00 O ATOM 0 H ASP A 57 4.210 3.573 -3.255 1.00 0.00 H new ATOM 0 HA ASP A 57 6.822 3.071 -2.240 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.457 4.666 -1.189 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.031 4.650 -0.420 1.00 0.00 H new ATOM 826 N LEU A 58 6.481 1.743 -0.108 1.00 0.00 N ATOM 827 CA LEU A 58 6.313 0.786 0.973 1.00 0.00 C ATOM 828 C LEU A 58 5.496 1.429 2.095 1.00 0.00 C ATOM 829 O LEU A 58 4.714 0.754 2.763 1.00 0.00 O ATOM 830 CB LEU A 58 7.671 0.251 1.430 1.00 0.00 C ATOM 831 CG LEU A 58 8.672 -0.077 0.320 1.00 0.00 C ATOM 832 CD1 LEU A 58 10.046 0.523 0.625 1.00 0.00 C ATOM 833 CD2 LEU A 58 8.746 -1.585 0.076 1.00 0.00 C ATOM 0 H LEU A 58 7.439 2.064 -0.248 1.00 0.00 H new ATOM 0 HA LEU A 58 5.753 -0.084 0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.124 0.987 2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.504 -0.651 2.019 1.00 0.00 H new ATOM 0 HG LEU A 58 8.319 0.381 -0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.738 0.275 -0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.960 1.606 0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.420 0.116 1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.465 -1.790 -0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.062 -2.086 0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.764 -1.954 -0.219 1.00 0.00 H new ATOM 845 N ASP A 59 5.705 2.726 2.268 1.00 0.00 N ATOM 846 CA ASP A 59 4.997 3.467 3.298 1.00 0.00 C ATOM 847 C ASP A 59 3.669 3.976 2.733 1.00 0.00 C ATOM 848 O ASP A 59 3.310 5.136 2.931 1.00 0.00 O ATOM 849 CB ASP A 59 5.809 4.678 3.761 1.00 0.00 C ATOM 850 CG ASP A 59 6.505 5.456 2.643 1.00 0.00 C ATOM 851 OD1 ASP A 59 5.875 5.599 1.573 1.00 0.00 O ATOM 852 OD2 ASP A 59 7.653 5.890 2.883 1.00 0.00 O ATOM 0 H ASP A 59 6.354 3.283 1.712 1.00 0.00 H new ATOM 0 HA ASP A 59 4.833 2.798 4.143 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.146 5.357 4.297 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.563 4.340 4.472 1.00 0.00 H new ATOM 857 N ARG A 60 2.977 3.084 2.040 1.00 0.00 N ATOM 858 CA ARG A 60 1.697 3.428 1.445 1.00 0.00 C ATOM 859 C ARG A 60 0.845 2.172 1.254 1.00 0.00 C ATOM 860 O ARG A 60 1.316 1.175 0.709 1.00 0.00 O ATOM 861 CB ARG A 60 1.886 4.118 0.092 1.00 0.00 C ATOM 862 CG ARG A 60 0.560 4.674 -0.430 1.00 0.00 C ATOM 863 CD ARG A 60 0.784 5.575 -1.646 1.00 0.00 C ATOM 864 NE ARG A 60 -0.222 6.661 -1.663 1.00 0.00 N ATOM 865 CZ ARG A 60 -0.242 7.680 -0.793 1.00 0.00 C ATOM 866 NH1 ARG A 60 0.687 7.758 0.170 1.00 0.00 N ATOM 867 NH2 ARG A 60 -1.192 8.620 -0.884 1.00 0.00 N ATOM 0 H ARG A 60 3.279 2.123 1.877 1.00 0.00 H new ATOM 0 HA ARG A 60 1.191 4.115 2.123 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.610 4.927 0.190 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.296 3.409 -0.628 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.102 3.851 -0.700 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.063 5.239 0.359 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.788 5.998 -1.615 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.713 4.988 -2.562 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.945 6.632 -2.382 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.410 7.042 0.241 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.671 8.534 0.832 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.900 8.560 -1.616 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.207 9.396 -0.222 1.00 0.00 H new ATOM 881 N PRO A 61 -0.428 2.263 1.725 1.00 0.00 N ATOM 882 CA PRO A 61 -1.350 1.146 1.612 1.00 0.00 C ATOM 883 C PRO A 61 -1.855 0.996 0.175 1.00 0.00 C ATOM 884 O PRO A 61 -2.001 1.985 -0.542 1.00 0.00 O ATOM 885 CB PRO A 61 -2.460 1.450 2.604 1.00 0.00 C ATOM 886 CG PRO A 61 -2.362 2.938 2.896 1.00 0.00 C ATOM 887 CD PRO A 61 -1.020 3.428 2.376 1.00 0.00 C ATOM 0 HA PRO A 61 -0.882 0.189 1.841 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.435 1.197 2.188 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.340 0.864 3.516 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.178 3.476 2.413 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.447 3.123 3.967 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.144 4.253 1.675 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.389 3.791 3.187 1.00 0.00 H new ATOM 895 N LEU A 62 -2.109 -0.249 -0.202 1.00 0.00 N ATOM 896 CA LEU A 62 -2.595 -0.541 -1.539 1.00 0.00 C ATOM 897 C LEU A 62 -3.907 0.211 -1.776 1.00 0.00 C ATOM 898 O LEU A 62 -4.353 0.973 -0.920 1.00 0.00 O ATOM 899 CB LEU A 62 -2.706 -2.052 -1.751 1.00 0.00 C ATOM 900 CG LEU A 62 -1.487 -2.878 -1.338 1.00 0.00 C ATOM 901 CD1 LEU A 62 -0.189 -2.113 -1.606 1.00 0.00 C ATOM 902 CD2 LEU A 62 -1.597 -3.328 0.120 1.00 0.00 C ATOM 0 H LEU A 62 -1.987 -1.067 0.396 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.885 -0.189 -2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.571 -2.414 -1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.905 -2.237 -2.807 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.462 -3.779 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.662 -2.723 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.113 -1.887 -2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.190 -1.184 -1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.717 -3.913 0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.661 -2.453 0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.491 -3.939 0.246 1.00 0.00 H new ATOM 914 N GLU A 63 -4.487 -0.029 -2.943 1.00 0.00 N ATOM 915 CA GLU A 63 -5.738 0.616 -3.303 1.00 0.00 C ATOM 916 C GLU A 63 -6.847 -0.426 -3.461 1.00 0.00 C ATOM 917 O GLU A 63 -8.005 -0.160 -3.142 1.00 0.00 O ATOM 918 CB GLU A 63 -5.580 1.445 -4.579 1.00 0.00 C ATOM 919 CG GLU A 63 -5.161 2.880 -4.252 1.00 0.00 C ATOM 920 CD GLU A 63 -5.477 3.822 -5.416 1.00 0.00 C ATOM 921 OE1 GLU A 63 -6.480 3.550 -6.110 1.00 0.00 O ATOM 922 OE2 GLU A 63 -4.708 4.793 -5.585 1.00 0.00 O ATOM 0 H GLU A 63 -4.114 -0.661 -3.651 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.017 1.296 -2.499 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.835 0.983 -5.227 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.520 1.454 -5.130 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.679 3.218 -3.355 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.093 2.910 -4.034 1.00 0.00 H new ATOM 929 N GLU A 64 -6.453 -1.592 -3.952 1.00 0.00 N ATOM 930 CA GLU A 64 -7.399 -2.676 -4.155 1.00 0.00 C ATOM 931 C GLU A 64 -6.679 -3.916 -4.689 1.00 0.00 C ATOM 932 O GLU A 64 -5.465 -3.896 -4.888 1.00 0.00 O ATOM 933 CB GLU A 64 -8.527 -2.250 -5.097 1.00 0.00 C ATOM 934 CG GLU A 64 -7.984 -1.915 -6.487 1.00 0.00 C ATOM 935 CD GLU A 64 -9.093 -1.379 -7.395 1.00 0.00 C ATOM 936 OE1 GLU A 64 -10.038 -2.155 -7.655 1.00 0.00 O ATOM 937 OE2 GLU A 64 -8.970 -0.205 -7.808 1.00 0.00 O ATOM 0 H GLU A 64 -5.492 -1.810 -4.215 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.847 -2.926 -3.193 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.263 -3.050 -5.174 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.041 -1.382 -4.685 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.189 -1.174 -6.402 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.543 -2.806 -6.933 1.00 0.00 H new ATOM 944 N ASP A 65 -7.457 -4.966 -4.905 1.00 0.00 N ATOM 945 CA ASP A 65 -6.909 -6.213 -5.412 1.00 0.00 C ATOM 946 C ASP A 65 -5.859 -5.906 -6.481 1.00 0.00 C ATOM 947 O ASP A 65 -6.196 -5.465 -7.579 1.00 0.00 O ATOM 948 CB ASP A 65 -7.999 -7.074 -6.053 1.00 0.00 C ATOM 949 CG ASP A 65 -8.750 -6.411 -7.210 1.00 0.00 C ATOM 950 OD1 ASP A 65 -9.626 -5.571 -6.910 1.00 0.00 O ATOM 951 OD2 ASP A 65 -8.430 -6.758 -8.367 1.00 0.00 O ATOM 0 H ASP A 65 -8.463 -4.979 -4.738 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.470 -6.754 -4.574 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.546 -7.997 -6.415 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.720 -7.353 -5.284 1.00 0.00 H new ATOM 956 N CYS A 66 -4.607 -6.150 -6.123 1.00 0.00 N ATOM 957 CA CYS A 66 -3.505 -5.905 -7.038 1.00 0.00 C ATOM 958 C CYS A 66 -2.365 -6.863 -6.685 1.00 0.00 C ATOM 959 O CYS A 66 -2.414 -7.540 -5.659 1.00 0.00 O ATOM 960 CB CYS A 66 -3.054 -4.444 -7.002 1.00 0.00 C ATOM 961 SG CYS A 66 -2.606 -3.968 -5.293 1.00 0.00 S ATOM 0 H CYS A 66 -4.331 -6.515 -5.211 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.831 -6.091 -8.061 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.199 -4.302 -7.663 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.852 -3.799 -7.370 1.00 0.00 H new ATOM 0 HG CYS A 66 -3.688 -3.769 -4.600 1.00 0.00 H new ATOM 967 N THR A 67 -1.365 -6.888 -7.554 1.00 0.00 N ATOM 968 CA THR A 67 -0.215 -7.751 -7.347 1.00 0.00 C ATOM 969 C THR A 67 0.897 -6.993 -6.620 1.00 0.00 C ATOM 970 O THR A 67 1.026 -5.779 -6.771 1.00 0.00 O ATOM 971 CB THR A 67 0.214 -8.302 -8.708 1.00 0.00 C ATOM 972 OG1 THR A 67 0.192 -7.164 -9.565 1.00 0.00 O ATOM 973 CG2 THR A 67 -0.827 -9.245 -9.313 1.00 0.00 C ATOM 0 H THR A 67 -1.328 -6.324 -8.403 1.00 0.00 H new ATOM 0 HA THR A 67 -0.464 -8.594 -6.703 1.00 0.00 H new ATOM 0 HB THR A 67 1.163 -8.829 -8.604 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.459 -7.430 -10.469 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.473 -9.607 -10.278 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.985 -10.091 -8.644 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.767 -8.710 -9.449 1.00 0.00 H new ATOM 981 N LEU A 68 1.671 -7.740 -5.846 1.00 0.00 N ATOM 982 CA LEU A 68 2.768 -7.153 -5.095 1.00 0.00 C ATOM 983 C LEU A 68 4.091 -7.733 -5.596 1.00 0.00 C ATOM 984 O LEU A 68 4.226 -8.948 -5.739 1.00 0.00 O ATOM 985 CB LEU A 68 2.546 -7.335 -3.592 1.00 0.00 C ATOM 986 CG LEU A 68 3.715 -6.938 -2.689 1.00 0.00 C ATOM 987 CD1 LEU A 68 4.148 -5.495 -2.954 1.00 0.00 C ATOM 988 CD2 LEU A 68 3.374 -7.173 -1.216 1.00 0.00 C ATOM 0 H LEU A 68 1.560 -8.746 -5.723 1.00 0.00 H new ATOM 0 HA LEU A 68 2.809 -6.076 -5.259 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.673 -6.751 -3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.307 -8.382 -3.404 1.00 0.00 H new ATOM 0 HG LEU A 68 4.564 -7.578 -2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.980 -5.239 -2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.460 -5.394 -3.993 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.312 -4.823 -2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.222 -6.883 -0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.504 -6.575 -0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.153 -8.229 -1.058 1.00 0.00 H new ATOM 1000 N GLU A 69 5.035 -6.838 -5.850 1.00 0.00 N ATOM 1001 CA GLU A 69 6.343 -7.247 -6.332 1.00 0.00 C ATOM 1002 C GLU A 69 7.430 -6.337 -5.755 1.00 0.00 C ATOM 1003 O GLU A 69 7.385 -5.121 -5.932 1.00 0.00 O ATOM 1004 CB GLU A 69 6.387 -7.250 -7.862 1.00 0.00 C ATOM 1005 CG GLU A 69 7.756 -7.709 -8.370 1.00 0.00 C ATOM 1006 CD GLU A 69 7.754 -7.856 -9.893 1.00 0.00 C ATOM 1007 OE1 GLU A 69 6.756 -8.405 -10.408 1.00 0.00 O ATOM 1008 OE2 GLU A 69 8.750 -7.417 -10.506 1.00 0.00 O ATOM 0 H GLU A 69 4.920 -5.832 -5.731 1.00 0.00 H new ATOM 0 HA GLU A 69 6.531 -8.266 -5.993 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.611 -7.910 -8.250 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.172 -6.250 -8.238 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.519 -6.990 -8.071 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.018 -8.661 -7.909 1.00 0.00 H new ATOM 1015 N LEU A 70 8.380 -6.962 -5.075 1.00 0.00 N ATOM 1016 CA LEU A 70 9.476 -6.224 -4.470 1.00 0.00 C ATOM 1017 C LEU A 70 10.596 -6.049 -5.498 1.00 0.00 C ATOM 1018 O LEU A 70 10.915 -6.978 -6.238 1.00 0.00 O ATOM 1019 CB LEU A 70 9.929 -6.903 -3.176 1.00 0.00 C ATOM 1020 CG LEU A 70 8.824 -7.239 -2.172 1.00 0.00 C ATOM 1021 CD1 LEU A 70 7.830 -6.083 -2.043 1.00 0.00 C ATOM 1022 CD2 LEU A 70 8.131 -8.552 -2.539 1.00 0.00 C ATOM 0 H LEU A 70 8.414 -7.971 -4.930 1.00 0.00 H new ATOM 0 HA LEU A 70 9.149 -5.225 -4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.449 -7.825 -3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.655 -6.255 -2.684 1.00 0.00 H new ATOM 0 HG LEU A 70 9.283 -7.380 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.055 -6.348 -1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.353 -5.190 -1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.373 -5.886 -3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.350 -8.768 -1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.687 -8.464 -3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.861 -9.361 -2.539 1.00 0.00 H new ATOM 1034 N LEU A 71 11.162 -4.851 -5.510 1.00 0.00 N ATOM 1035 CA LEU A 71 12.240 -4.543 -6.435 1.00 0.00 C ATOM 1036 C LEU A 71 13.580 -4.653 -5.704 1.00 0.00 C ATOM 1037 O LEU A 71 13.640 -4.504 -4.485 1.00 0.00 O ATOM 1038 CB LEU A 71 12.008 -3.181 -7.093 1.00 0.00 C ATOM 1039 CG LEU A 71 11.031 -3.163 -8.270 1.00 0.00 C ATOM 1040 CD1 LEU A 71 9.851 -4.103 -8.017 1.00 0.00 C ATOM 1041 CD2 LEU A 71 10.571 -1.736 -8.579 1.00 0.00 C ATOM 0 H LEU A 71 10.895 -4.083 -4.895 1.00 0.00 H new ATOM 0 HA LEU A 71 12.261 -5.266 -7.251 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.643 -2.490 -6.333 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.968 -2.798 -7.438 1.00 0.00 H new ATOM 0 HG LEU A 71 11.553 -3.532 -9.153 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.172 -4.071 -8.869 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.218 -5.120 -7.884 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.321 -3.788 -7.118 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.877 -1.751 -9.420 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.073 -1.317 -7.705 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.435 -1.122 -8.833 1.00 0.00 H new