USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 374 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 103 LYS NZ :NH3+ -138:sc= 0.735 (180deg=0) USER MOD Set 1.2: A 134 CYS SG : rot -47:sc= 0.636 USER MOD Set 2.1: A 115 CYS SG : rot -161:sc= -1.82! USER MOD Set 2.2: A 118 CYS SG : rot -43:sc= -8.28! USER MOD Set 2.3: A 140 HIS : no HE2:sc= -19.1! C(o=-31!,f=-33!) USER MOD Set 2.4: A 143 CYS SG : rot -170:sc= -2! USER MOD Set 3.1: A 109 TYR OH : rot 15:sc= 0 USER MOD Set 3.2: A 113 THR OG1 : rot 88:sc= 1.07 USER MOD Set 3.3: A 128 GLN :FLIP amide:sc= -7.47! C(o=-7.2!,f=-6.4!) USER MOD Set 4.1: A 108 SER OG : rot -103:sc= 0.583 USER MOD Set 4.2: A 127 HIS : no HD1:sc= 0.319 K(o=0.9,f=-6.4!) USER MOD Set 5.1: A 102 HIS : no HE2:sc= -9.68! C(o=-23!,f=-27!) USER MOD Set 5.2: A 132 CYS SG : rot -136:sc= -2.51! USER MOD Set 5.3: A 135 CYS SG : rot -79:sc= -8.18! USER MOD Set 5.4: A 151 CYS SG : rot 35:sc= -3.09! USER MOD Single : A 107 HIS :FLIP no HE2:sc= -0.495 F(o=-1.4,f=-0.49) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 32:sc= 0.474 USER MOD Single : A 117 HIS :FLIP no HD1:sc= -0.715 F(o=-2,f=-0.72) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 MET CE :methyl 180:sc= -0.0441 (180deg=-0.0441) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot -31:sc= 0.925 USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 ASN : amide:sc= -0.911 K(o=-0.91,f=-5.2!) USER MOD Single : A 146 SER OG : rot 91:sc= 0.00691 USER MOD Single : A 149 SER OG : rot -71:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 132 N HIS A 102 -6.981 2.488 -3.099 1.00 0.00 N ATOM 133 CA HIS A 102 -5.786 2.143 -2.280 1.00 0.00 C ATOM 134 C HIS A 102 -5.578 3.211 -1.208 1.00 0.00 C ATOM 135 O HIS A 102 -6.256 4.219 -1.177 1.00 0.00 O ATOM 136 CB HIS A 102 -4.545 2.086 -3.174 1.00 0.00 C ATOM 137 CG HIS A 102 -4.400 0.711 -3.762 1.00 0.00 C ATOM 138 ND1 HIS A 102 -4.553 -0.446 -3.010 1.00 0.00 N ATOM 139 CD2 HIS A 102 -4.111 0.292 -5.035 1.00 0.00 C ATOM 140 CE1 HIS A 102 -4.358 -1.493 -3.834 1.00 0.00 C ATOM 141 NE2 HIS A 102 -4.085 -1.097 -5.081 1.00 0.00 N ATOM 0 HA HIS A 102 -5.943 1.172 -1.810 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -4.626 2.825 -3.971 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -3.657 2.339 -2.595 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -4.773 -0.494 -2.015 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -3.930 0.944 -5.877 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -4.415 -2.526 -3.525 1.00 0.00 H new ATOM 148 N LYS A 103 -4.636 2.997 -0.336 1.00 0.00 N ATOM 149 CA LYS A 103 -4.364 3.993 0.736 1.00 0.00 C ATOM 150 C LYS A 103 -2.887 3.920 1.113 1.00 0.00 C ATOM 151 O LYS A 103 -2.518 4.064 2.261 1.00 0.00 O ATOM 152 CB LYS A 103 -5.226 3.679 1.960 1.00 0.00 C ATOM 153 CG LYS A 103 -6.691 3.985 1.645 1.00 0.00 C ATOM 154 CD LYS A 103 -7.358 4.607 2.872 1.00 0.00 C ATOM 155 CE LYS A 103 -8.696 5.228 2.466 1.00 0.00 C ATOM 156 NZ LYS A 103 -9.799 4.275 2.775 1.00 0.00 N ATOM 0 H LYS A 103 -4.039 2.170 -0.319 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.605 4.995 0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.114 2.631 2.238 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.895 4.272 2.813 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.757 4.667 0.797 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.211 3.071 1.360 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.515 3.847 3.638 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.709 5.368 3.306 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -8.851 6.166 3.000 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -8.692 5.464 1.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -10.482 4.268 1.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -9.407 3.320 2.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -10.279 4.571 3.649 1.00 0.00 H new ATOM 170 N PHE A 104 -2.044 3.688 0.148 1.00 0.00 N ATOM 171 CA PHE A 104 -0.584 3.593 0.432 1.00 0.00 C ATOM 172 C PHE A 104 -0.179 4.691 1.418 1.00 0.00 C ATOM 173 O PHE A 104 -0.662 5.803 1.356 1.00 0.00 O ATOM 174 CB PHE A 104 0.201 3.762 -0.871 1.00 0.00 C ATOM 175 CG PHE A 104 -0.372 2.854 -1.935 1.00 0.00 C ATOM 176 CD1 PHE A 104 -0.304 1.463 -1.782 1.00 0.00 C ATOM 177 CD2 PHE A 104 -0.964 3.403 -3.082 1.00 0.00 C ATOM 178 CE1 PHE A 104 -0.828 0.622 -2.771 1.00 0.00 C ATOM 179 CE2 PHE A 104 -1.487 2.561 -4.071 1.00 0.00 C ATOM 180 CZ PHE A 104 -1.419 1.170 -3.916 1.00 0.00 C ATOM 0 H PHE A 104 -2.303 3.559 -0.830 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.363 2.618 0.867 1.00 0.00 H new ATOM 0 HB2 PHE A 104 0.155 4.800 -1.202 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.252 3.526 -0.706 1.00 0.00 H new ATOM 0 HD1 PHE A 104 0.153 1.039 -0.900 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -1.016 4.475 -3.202 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -0.776 -0.450 -2.651 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.943 2.984 -4.954 1.00 0.00 H new ATOM 0 HZ PHE A 104 -1.822 0.521 -4.679 1.00 0.00 H new ATOM 190 N ARG A 105 0.705 4.385 2.329 1.00 0.00 N ATOM 191 CA ARG A 105 1.141 5.410 3.318 1.00 0.00 C ATOM 192 C ARG A 105 2.583 5.125 3.746 1.00 0.00 C ATOM 193 O ARG A 105 2.849 4.200 4.487 1.00 0.00 O ATOM 194 CB ARG A 105 0.225 5.358 4.544 1.00 0.00 C ATOM 195 CG ARG A 105 0.733 6.340 5.602 1.00 0.00 C ATOM 196 CD ARG A 105 -0.299 7.450 5.805 1.00 0.00 C ATOM 197 NE ARG A 105 -0.042 8.136 7.104 1.00 0.00 N ATOM 198 CZ ARG A 105 -1.019 8.312 7.951 1.00 0.00 C ATOM 199 NH1 ARG A 105 -1.871 7.350 8.175 1.00 0.00 N ATOM 200 NH2 ARG A 105 -1.142 9.452 8.575 1.00 0.00 N ATOM 0 H ARG A 105 1.143 3.470 2.430 1.00 0.00 H new ATOM 0 HA ARG A 105 1.085 6.400 2.864 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -0.796 5.610 4.259 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.202 4.347 4.952 1.00 0.00 H new ATOM 0 HG2 ARG A 105 0.911 5.818 6.542 1.00 0.00 H new ATOM 0 HG3 ARG A 105 1.686 6.767 5.289 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.244 8.167 4.986 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.306 7.032 5.795 1.00 0.00 H new ATOM 0 HE ARG A 105 0.896 8.467 7.330 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.774 6.459 7.688 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -2.634 7.489 8.837 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -0.475 10.204 8.400 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.905 9.591 9.237 1.00 0.00 H new ATOM 214 N LEU A 106 3.516 5.912 3.285 1.00 0.00 N ATOM 215 CA LEU A 106 4.937 5.684 3.667 1.00 0.00 C ATOM 216 C LEU A 106 5.054 5.643 5.193 1.00 0.00 C ATOM 217 O LEU A 106 4.578 6.519 5.888 1.00 0.00 O ATOM 218 CB LEU A 106 5.802 6.819 3.111 1.00 0.00 C ATOM 219 CG LEU A 106 5.575 8.088 3.932 1.00 0.00 C ATOM 220 CD1 LEU A 106 6.430 9.224 3.369 1.00 0.00 C ATOM 221 CD2 LEU A 106 4.099 8.480 3.865 1.00 0.00 C ATOM 0 H LEU A 106 3.355 6.702 2.661 1.00 0.00 H new ATOM 0 HA LEU A 106 5.280 4.735 3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.854 6.537 3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.553 7.001 2.066 1.00 0.00 H new ATOM 0 HG LEU A 106 5.857 7.903 4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.266 10.128 3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.483 8.945 3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.151 9.410 2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.936 9.385 4.450 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.818 8.663 2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.489 7.672 4.269 1.00 0.00 H new ATOM 233 N HIS A 107 5.683 4.629 5.719 1.00 0.00 N ATOM 234 CA HIS A 107 5.835 4.526 7.200 1.00 0.00 C ATOM 235 C HIS A 107 7.313 4.389 7.556 1.00 0.00 C ATOM 236 O HIS A 107 8.179 4.495 6.711 1.00 0.00 O ATOM 237 CB HIS A 107 5.072 3.301 7.710 1.00 0.00 C ATOM 238 CG HIS A 107 4.247 3.691 8.905 1.00 0.00 C ATOM 239 ND1 HIS A 107 4.337 3.351 10.233 1.00 0.00 N flip ATOM 240 CD2 HIS A 107 3.163 4.548 8.806 1.00 0.00 C flip ATOM 241 CE1 HIS A 107 3.326 3.987 10.948 1.00 0.00 C flip ATOM 242 NE2 HIS A 107 2.648 4.695 10.041 1.00 0.00 N flip ATOM 0 H HIS A 107 6.100 3.865 5.187 1.00 0.00 H new ATOM 0 HA HIS A 107 5.432 5.425 7.666 1.00 0.00 H new ATOM 0 HB2 HIS A 107 4.429 2.905 6.924 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.771 2.509 7.979 1.00 0.00 H new ATOM 0 HD1 HIS A 107 5.038 2.728 10.634 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.798 5.013 7.902 1.00 0.00 H new ATOM 0 HE1 HIS A 107 3.132 3.922 12.008 1.00 0.00 H new ATOM 250 N SER A 108 7.609 4.161 8.805 1.00 0.00 N ATOM 251 CA SER A 108 9.034 4.021 9.219 1.00 0.00 C ATOM 252 C SER A 108 9.136 3.083 10.426 1.00 0.00 C ATOM 253 O SER A 108 9.117 3.516 11.561 1.00 0.00 O ATOM 254 CB SER A 108 9.593 5.395 9.595 1.00 0.00 C ATOM 255 OG SER A 108 9.004 6.385 8.762 1.00 0.00 O ATOM 0 H SER A 108 6.927 4.065 9.557 1.00 0.00 H new ATOM 0 HA SER A 108 9.608 3.605 8.391 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.382 5.612 10.642 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.677 5.404 9.479 1.00 0.00 H new ATOM 0 HG SER A 108 9.643 6.651 8.068 1.00 0.00 H new ATOM 261 N TYR A 109 9.254 1.802 10.193 1.00 0.00 N ATOM 262 CA TYR A 109 9.367 0.846 11.332 1.00 0.00 C ATOM 263 C TYR A 109 10.833 0.743 11.757 1.00 0.00 C ATOM 264 O TYR A 109 11.148 0.618 12.924 1.00 0.00 O ATOM 265 CB TYR A 109 8.873 -0.538 10.901 1.00 0.00 C ATOM 266 CG TYR A 109 7.756 -0.395 9.895 1.00 0.00 C ATOM 267 CD1 TYR A 109 6.660 0.431 10.176 1.00 0.00 C ATOM 268 CD2 TYR A 109 7.815 -1.096 8.683 1.00 0.00 C ATOM 269 CE1 TYR A 109 5.623 0.558 9.242 1.00 0.00 C ATOM 270 CE2 TYR A 109 6.778 -0.967 7.749 1.00 0.00 C ATOM 271 CZ TYR A 109 5.682 -0.141 8.028 1.00 0.00 C ATOM 272 OH TYR A 109 4.660 -0.015 7.109 1.00 0.00 O ATOM 0 H TYR A 109 9.277 1.378 9.266 1.00 0.00 H new ATOM 0 HA TYR A 109 8.760 1.204 12.164 1.00 0.00 H new ATOM 0 HB2 TYR A 109 9.694 -1.108 10.467 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.523 -1.095 11.770 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.614 0.969 11.111 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.659 -1.735 8.469 1.00 0.00 H new ATOM 0 HE1 TYR A 109 4.778 1.195 9.457 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.824 -1.505 6.814 1.00 0.00 H new ATOM 0 HH TYR A 109 4.106 0.760 7.340 1.00 0.00 H new ATOM 282 N SER A 110 11.730 0.792 10.812 1.00 0.00 N ATOM 283 CA SER A 110 13.180 0.694 11.139 1.00 0.00 C ATOM 284 C SER A 110 13.947 0.339 9.865 1.00 0.00 C ATOM 285 O SER A 110 15.108 0.661 9.713 1.00 0.00 O ATOM 286 CB SER A 110 13.398 -0.395 12.191 1.00 0.00 C ATOM 287 OG SER A 110 14.739 -0.859 12.115 1.00 0.00 O ATOM 0 H SER A 110 11.519 0.897 9.820 1.00 0.00 H new ATOM 0 HA SER A 110 13.537 1.645 11.534 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.193 -0.001 13.187 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.705 -1.220 12.026 1.00 0.00 H new ATOM 0 HG SER A 110 14.883 -1.556 12.789 1.00 0.00 H new ATOM 293 N SER A 111 13.295 -0.316 8.945 1.00 0.00 N ATOM 294 CA SER A 111 13.965 -0.691 7.670 1.00 0.00 C ATOM 295 C SER A 111 12.901 -0.872 6.583 1.00 0.00 C ATOM 296 O SER A 111 11.726 -0.966 6.880 1.00 0.00 O ATOM 297 CB SER A 111 14.737 -1.998 7.858 1.00 0.00 C ATOM 298 OG SER A 111 16.061 -1.705 8.283 1.00 0.00 O ATOM 0 H SER A 111 12.321 -0.609 9.023 1.00 0.00 H new ATOM 0 HA SER A 111 14.662 0.094 7.376 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.237 -2.626 8.595 1.00 0.00 H new ATOM 0 HB3 SER A 111 14.759 -2.559 6.923 1.00 0.00 H new ATOM 0 HG SER A 111 16.057 -0.891 8.829 1.00 0.00 H new ATOM 304 N PRO A 112 13.342 -0.908 5.354 1.00 0.00 N ATOM 305 CA PRO A 112 12.448 -1.070 4.194 1.00 0.00 C ATOM 306 C PRO A 112 11.997 -2.526 4.051 1.00 0.00 C ATOM 307 O PRO A 112 12.790 -3.444 4.113 1.00 0.00 O ATOM 308 CB PRO A 112 13.314 -0.636 3.010 1.00 0.00 C ATOM 309 CG PRO A 112 14.786 -0.788 3.463 1.00 0.00 C ATOM 310 CD PRO A 112 14.773 -0.793 5.004 1.00 0.00 C ATOM 0 HA PRO A 112 11.530 -0.488 4.278 1.00 0.00 H new ATOM 0 HB2 PRO A 112 13.112 -1.253 2.135 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.099 0.395 2.729 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.217 -1.711 3.076 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.395 0.032 3.083 1.00 0.00 H new ATOM 0 HD2 PRO A 112 15.349 -1.627 5.404 1.00 0.00 H new ATOM 0 HD3 PRO A 112 15.210 0.120 5.409 1.00 0.00 H new ATOM 318 N THR A 113 10.722 -2.738 3.857 1.00 0.00 N ATOM 319 CA THR A 113 10.205 -4.127 3.706 1.00 0.00 C ATOM 320 C THR A 113 10.249 -4.526 2.234 1.00 0.00 C ATOM 321 O THR A 113 10.633 -3.752 1.381 1.00 0.00 O ATOM 322 CB THR A 113 8.758 -4.194 4.207 1.00 0.00 C ATOM 323 OG1 THR A 113 8.568 -3.233 5.236 1.00 0.00 O ATOM 324 CG2 THR A 113 8.467 -5.593 4.753 1.00 0.00 C ATOM 0 H THR A 113 10.015 -2.005 3.797 1.00 0.00 H new ATOM 0 HA THR A 113 10.823 -4.809 4.290 1.00 0.00 H new ATOM 0 HB THR A 113 8.079 -3.981 3.381 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.314 -2.374 4.839 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.438 -5.638 5.109 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.610 -6.329 3.962 1.00 0.00 H new ATOM 0 HG23 THR A 113 9.146 -5.810 5.578 1.00 0.00 H new ATOM 332 N PHE A 114 9.865 -5.731 1.932 1.00 0.00 N ATOM 333 CA PHE A 114 9.891 -6.190 0.516 1.00 0.00 C ATOM 334 C PHE A 114 8.670 -5.646 -0.228 1.00 0.00 C ATOM 335 O PHE A 114 7.590 -5.538 0.319 1.00 0.00 O ATOM 336 CB PHE A 114 9.862 -7.720 0.476 1.00 0.00 C ATOM 337 CG PHE A 114 11.270 -8.263 0.534 1.00 0.00 C ATOM 338 CD1 PHE A 114 11.929 -8.379 1.765 1.00 0.00 C ATOM 339 CD2 PHE A 114 11.916 -8.657 -0.645 1.00 0.00 C ATOM 340 CE1 PHE A 114 13.233 -8.890 1.817 1.00 0.00 C ATOM 341 CE2 PHE A 114 13.219 -9.169 -0.594 1.00 0.00 C ATOM 342 CZ PHE A 114 13.877 -9.286 0.637 1.00 0.00 C ATOM 0 H PHE A 114 9.533 -6.421 2.605 1.00 0.00 H new ATOM 0 HA PHE A 114 10.800 -5.825 0.038 1.00 0.00 H new ATOM 0 HB2 PHE A 114 9.280 -8.103 1.314 1.00 0.00 H new ATOM 0 HB3 PHE A 114 9.369 -8.059 -0.435 1.00 0.00 H new ATOM 0 HD1 PHE A 114 11.432 -8.075 2.674 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.409 -8.566 -1.594 1.00 0.00 H new ATOM 0 HE1 PHE A 114 13.741 -8.979 2.766 1.00 0.00 H new ATOM 0 HE2 PHE A 114 13.716 -9.473 -1.503 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.881 -9.682 0.677 1.00 0.00 H new ATOM 352 N CYS A 115 8.835 -5.307 -1.477 1.00 0.00 N ATOM 353 CA CYS A 115 7.692 -4.774 -2.269 1.00 0.00 C ATOM 354 C CYS A 115 6.835 -5.946 -2.758 1.00 0.00 C ATOM 355 O CYS A 115 7.341 -6.986 -3.130 1.00 0.00 O ATOM 356 CB CYS A 115 8.234 -3.980 -3.456 1.00 0.00 C ATOM 357 SG CYS A 115 6.878 -3.478 -4.543 1.00 0.00 S ATOM 0 H CYS A 115 9.717 -5.377 -1.985 1.00 0.00 H new ATOM 0 HA CYS A 115 7.078 -4.116 -1.654 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.769 -3.100 -3.100 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.950 -4.586 -4.012 1.00 0.00 H new ATOM 0 HG CYS A 115 7.351 -3.172 -5.714 1.00 0.00 H new ATOM 362 N ASP A 116 5.542 -5.789 -2.738 1.00 0.00 N ATOM 363 CA ASP A 116 4.645 -6.903 -3.173 1.00 0.00 C ATOM 364 C ASP A 116 4.223 -6.718 -4.633 1.00 0.00 C ATOM 365 O ASP A 116 3.735 -7.635 -5.264 1.00 0.00 O ATOM 366 CB ASP A 116 3.396 -6.919 -2.288 1.00 0.00 C ATOM 367 CG ASP A 116 2.747 -5.533 -2.292 1.00 0.00 C ATOM 368 OD1 ASP A 116 2.308 -5.109 -3.347 1.00 0.00 O ATOM 369 OD2 ASP A 116 2.702 -4.920 -1.237 1.00 0.00 O ATOM 0 H ASP A 116 5.064 -4.939 -2.440 1.00 0.00 H new ATOM 0 HA ASP A 116 5.186 -7.845 -3.080 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.689 -7.664 -2.653 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.663 -7.204 -1.270 1.00 0.00 H new ATOM 374 N HIS A 117 4.396 -5.548 -5.179 1.00 0.00 N ATOM 375 CA HIS A 117 3.991 -5.326 -6.595 1.00 0.00 C ATOM 376 C HIS A 117 5.158 -5.667 -7.525 1.00 0.00 C ATOM 377 O HIS A 117 4.969 -5.942 -8.694 1.00 0.00 O ATOM 378 CB HIS A 117 3.596 -3.861 -6.791 1.00 0.00 C ATOM 379 CG HIS A 117 3.425 -3.581 -8.260 1.00 0.00 C ATOM 380 ND1 HIS A 117 4.335 -3.349 -9.261 1.00 0.00 N flip ATOM 381 CD2 HIS A 117 2.178 -3.519 -8.860 1.00 0.00 C flip ATOM 382 CE1 HIS A 117 3.666 -3.145 -10.464 1.00 0.00 C flip ATOM 383 NE2 HIS A 117 2.368 -3.258 -10.167 1.00 0.00 N flip ATOM 0 H HIS A 117 4.799 -4.738 -4.708 1.00 0.00 H new ATOM 0 HA HIS A 117 3.141 -5.967 -6.830 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.669 -3.649 -6.259 1.00 0.00 H new ATOM 0 HB3 HIS A 117 4.361 -3.207 -6.372 1.00 0.00 H new ATOM 0 HD2 HIS A 117 1.226 -3.655 -8.368 1.00 0.00 H new ATOM 0 HE1 HIS A 117 4.102 -2.939 -11.430 1.00 0.00 H new ATOM 0 HE2 HIS A 117 1.614 -3.159 -10.847 1.00 0.00 H new ATOM 391 N CYS A 118 6.361 -5.651 -7.021 1.00 0.00 N ATOM 392 CA CYS A 118 7.530 -5.976 -7.888 1.00 0.00 C ATOM 393 C CYS A 118 8.367 -7.087 -7.244 1.00 0.00 C ATOM 394 O CYS A 118 9.121 -7.768 -7.909 1.00 0.00 O ATOM 395 CB CYS A 118 8.391 -4.724 -8.074 1.00 0.00 C ATOM 396 SG CYS A 118 8.897 -4.092 -6.457 1.00 0.00 S ATOM 0 H CYS A 118 6.585 -5.428 -6.051 1.00 0.00 H new ATOM 0 HA CYS A 118 7.172 -6.319 -8.859 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.269 -4.960 -8.675 1.00 0.00 H new ATOM 0 HB3 CYS A 118 7.830 -3.962 -8.615 1.00 0.00 H new ATOM 0 HG CYS A 118 7.887 -4.132 -5.640 1.00 0.00 H new ATOM 401 N GLY A 119 8.245 -7.280 -5.956 1.00 0.00 N ATOM 402 CA GLY A 119 9.039 -8.350 -5.287 1.00 0.00 C ATOM 403 C GLY A 119 10.484 -7.881 -5.113 1.00 0.00 C ATOM 404 O GLY A 119 11.419 -8.618 -5.359 1.00 0.00 O ATOM 0 H GLY A 119 7.632 -6.744 -5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.603 -8.588 -4.316 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.011 -9.263 -5.881 1.00 0.00 H new ATOM 408 N SER A 120 10.675 -6.663 -4.691 1.00 0.00 N ATOM 409 CA SER A 120 12.059 -6.147 -4.500 1.00 0.00 C ATOM 410 C SER A 120 12.111 -5.287 -3.236 1.00 0.00 C ATOM 411 O SER A 120 11.303 -4.401 -3.043 1.00 0.00 O ATOM 412 CB SER A 120 12.458 -5.300 -5.709 1.00 0.00 C ATOM 413 OG SER A 120 12.703 -6.153 -6.819 1.00 0.00 O ATOM 0 H SER A 120 9.931 -6.001 -4.470 1.00 0.00 H new ATOM 0 HA SER A 120 12.749 -6.985 -4.399 1.00 0.00 H new ATOM 0 HB2 SER A 120 11.665 -4.591 -5.948 1.00 0.00 H new ATOM 0 HB3 SER A 120 13.350 -4.716 -5.480 1.00 0.00 H new ATOM 0 HG SER A 120 12.957 -5.613 -7.596 1.00 0.00 H new ATOM 419 N LEU A 121 13.054 -5.543 -2.370 1.00 0.00 N ATOM 420 CA LEU A 121 13.151 -4.740 -1.120 1.00 0.00 C ATOM 421 C LEU A 121 13.191 -3.251 -1.456 1.00 0.00 C ATOM 422 O LEU A 121 13.917 -2.818 -2.329 1.00 0.00 O ATOM 423 CB LEU A 121 14.420 -5.123 -0.356 1.00 0.00 C ATOM 424 CG LEU A 121 14.097 -6.246 0.629 1.00 0.00 C ATOM 425 CD1 LEU A 121 15.390 -6.952 1.042 1.00 0.00 C ATOM 426 CD2 LEU A 121 13.420 -5.651 1.869 1.00 0.00 C ATOM 0 H LEU A 121 13.760 -6.272 -2.475 1.00 0.00 H new ATOM 0 HA LEU A 121 12.278 -4.945 -0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.194 -5.446 -1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 121 14.812 -4.257 0.178 1.00 0.00 H new ATOM 0 HG LEU A 121 13.428 -6.966 0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 121 15.159 -7.753 1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 121 15.873 -7.372 0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 121 16.060 -6.235 1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 121 13.188 -6.449 2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 121 14.091 -4.933 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 121 12.499 -5.148 1.574 1.00 0.00 H new ATOM 438 N LEU A 122 12.415 -2.468 -0.760 1.00 0.00 N ATOM 439 CA LEU A 122 12.399 -0.999 -1.020 1.00 0.00 C ATOM 440 C LEU A 122 13.682 -0.376 -0.463 1.00 0.00 C ATOM 441 O LEU A 122 13.691 0.183 0.615 1.00 0.00 O ATOM 442 CB LEU A 122 11.190 -0.372 -0.319 1.00 0.00 C ATOM 443 CG LEU A 122 9.939 -1.206 -0.600 1.00 0.00 C ATOM 444 CD1 LEU A 122 8.984 -1.107 0.591 1.00 0.00 C ATOM 445 CD2 LEU A 122 9.241 -0.673 -1.852 1.00 0.00 C ATOM 0 H LEU A 122 11.788 -2.782 -0.019 1.00 0.00 H new ATOM 0 HA LEU A 122 12.335 -0.818 -2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 122 11.368 -0.318 0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 122 11.044 0.650 -0.670 1.00 0.00 H new ATOM 0 HG LEU A 122 10.224 -2.246 -0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.092 -1.701 0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 122 9.479 -1.484 1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 122 8.700 -0.066 0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.349 -1.267 -2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.956 0.367 -1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.919 -0.739 -2.703 1.00 0.00 H new ATOM 457 N TYR A 123 14.766 -0.469 -1.184 1.00 0.00 N ATOM 458 CA TYR A 123 16.044 0.115 -0.685 1.00 0.00 C ATOM 459 C TYR A 123 15.776 1.497 -0.087 1.00 0.00 C ATOM 460 O TYR A 123 14.831 2.167 -0.454 1.00 0.00 O ATOM 461 CB TYR A 123 17.033 0.239 -1.845 1.00 0.00 C ATOM 462 CG TYR A 123 17.258 -1.123 -2.454 1.00 0.00 C ATOM 463 CD1 TYR A 123 17.546 -2.220 -1.631 1.00 0.00 C ATOM 464 CD2 TYR A 123 17.176 -1.293 -3.843 1.00 0.00 C ATOM 465 CE1 TYR A 123 17.753 -3.486 -2.194 1.00 0.00 C ATOM 466 CE2 TYR A 123 17.385 -2.559 -4.407 1.00 0.00 C ATOM 467 CZ TYR A 123 17.672 -3.656 -3.582 1.00 0.00 C ATOM 468 OH TYR A 123 17.877 -4.902 -4.138 1.00 0.00 O ATOM 0 H TYR A 123 14.822 -0.923 -2.096 1.00 0.00 H new ATOM 0 HA TYR A 123 16.466 -0.534 0.083 1.00 0.00 H new ATOM 0 HB2 TYR A 123 16.646 0.927 -2.597 1.00 0.00 H new ATOM 0 HB3 TYR A 123 17.977 0.652 -1.491 1.00 0.00 H new ATOM 0 HD1 TYR A 123 17.608 -2.089 -0.561 1.00 0.00 H new ATOM 0 HD2 TYR A 123 16.952 -0.449 -4.478 1.00 0.00 H new ATOM 0 HE1 TYR A 123 17.975 -4.330 -1.558 1.00 0.00 H new ATOM 0 HE2 TYR A 123 17.325 -2.690 -5.477 1.00 0.00 H new ATOM 0 HH TYR A 123 17.784 -4.845 -5.112 1.00 0.00 H new ATOM 478 N GLY A 124 16.597 1.923 0.835 1.00 0.00 N ATOM 479 CA GLY A 124 16.392 3.261 1.463 1.00 0.00 C ATOM 480 C GLY A 124 15.994 4.276 0.391 1.00 0.00 C ATOM 481 O GLY A 124 16.827 4.821 -0.304 1.00 0.00 O ATOM 0 H GLY A 124 17.402 1.401 1.181 1.00 0.00 H new ATOM 0 HA2 GLY A 124 15.616 3.200 2.226 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.306 3.583 1.962 1.00 0.00 H new ATOM 485 N LEU A 125 14.721 4.532 0.250 1.00 0.00 N ATOM 486 CA LEU A 125 14.269 5.509 -0.780 1.00 0.00 C ATOM 487 C LEU A 125 12.960 6.162 -0.333 1.00 0.00 C ATOM 488 O LEU A 125 12.735 7.335 -0.555 1.00 0.00 O ATOM 489 CB LEU A 125 14.044 4.779 -2.107 1.00 0.00 C ATOM 490 CG LEU A 125 15.357 4.720 -2.890 1.00 0.00 C ATOM 491 CD1 LEU A 125 15.201 3.767 -4.077 1.00 0.00 C ATOM 492 CD2 LEU A 125 15.705 6.121 -3.403 1.00 0.00 C ATOM 0 H LEU A 125 13.976 4.107 0.803 1.00 0.00 H new ATOM 0 HA LEU A 125 15.031 6.278 -0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 125 13.674 3.771 -1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 125 13.283 5.294 -2.693 1.00 0.00 H new ATOM 0 HG LEU A 125 16.154 4.361 -2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 125 16.136 3.725 -4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 125 14.950 2.771 -3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 125 14.405 4.126 -4.730 1.00 0.00 H new ATOM 0 HD21 LEU A 125 16.640 6.082 -3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 125 14.908 6.478 -4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 125 15.815 6.801 -2.558 1.00 0.00 H new ATOM 504 N VAL A 126 12.090 5.414 0.291 1.00 0.00 N ATOM 505 CA VAL A 126 10.796 6.002 0.740 1.00 0.00 C ATOM 506 C VAL A 126 10.595 5.739 2.234 1.00 0.00 C ATOM 507 O VAL A 126 9.517 5.387 2.669 1.00 0.00 O ATOM 508 CB VAL A 126 9.650 5.363 -0.044 1.00 0.00 C ATOM 509 CG1 VAL A 126 9.594 5.963 -1.451 1.00 0.00 C ATOM 510 CG2 VAL A 126 9.883 3.854 -0.143 1.00 0.00 C ATOM 0 H VAL A 126 12.219 4.426 0.508 1.00 0.00 H new ATOM 0 HA VAL A 126 10.810 7.077 0.563 1.00 0.00 H new ATOM 0 HB VAL A 126 8.708 5.555 0.469 1.00 0.00 H new ATOM 0 HG11 VAL A 126 8.776 5.506 -2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 126 9.430 7.038 -1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 126 10.536 5.772 -1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 126 9.067 3.396 -0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 126 10.826 3.664 -0.656 1.00 0.00 H new ATOM 0 HG23 VAL A 126 9.923 3.425 0.858 1.00 0.00 H new ATOM 520 N HIS A 127 11.621 5.908 3.024 1.00 0.00 N ATOM 521 CA HIS A 127 11.476 5.665 4.487 1.00 0.00 C ATOM 522 C HIS A 127 10.691 4.370 4.704 1.00 0.00 C ATOM 523 O HIS A 127 9.481 4.379 4.778 1.00 0.00 O ATOM 524 CB HIS A 127 10.721 6.836 5.123 1.00 0.00 C ATOM 525 CG HIS A 127 11.401 7.240 6.402 1.00 0.00 C ATOM 526 ND1 HIS A 127 10.708 7.811 7.458 1.00 0.00 N ATOM 527 CD2 HIS A 127 12.710 7.167 6.810 1.00 0.00 C ATOM 528 CE1 HIS A 127 11.594 8.056 8.440 1.00 0.00 C ATOM 529 NE2 HIS A 127 12.830 7.681 8.097 1.00 0.00 N ATOM 0 H HIS A 127 12.549 6.203 2.721 1.00 0.00 H new ATOM 0 HA HIS A 127 12.460 5.577 4.947 1.00 0.00 H new ATOM 0 HB2 HIS A 127 10.691 7.680 4.433 1.00 0.00 H new ATOM 0 HB3 HIS A 127 9.688 6.550 5.323 1.00 0.00 H new ATOM 0 HD2 HIS A 127 13.524 6.770 6.221 1.00 0.00 H new ATOM 0 HE1 HIS A 127 11.338 8.501 9.390 1.00 0.00 H new ATOM 0 HE2 HIS A 127 13.679 7.756 8.658 1.00 0.00 H new ATOM 537 N GLN A 128 11.376 3.260 4.794 1.00 0.00 N ATOM 538 CA GLN A 128 10.680 1.954 4.995 1.00 0.00 C ATOM 539 C GLN A 128 9.968 1.544 3.701 1.00 0.00 C ATOM 540 O GLN A 128 10.465 0.735 2.942 1.00 0.00 O ATOM 541 CB GLN A 128 9.661 2.071 6.134 1.00 0.00 C ATOM 542 CG GLN A 128 9.092 0.687 6.449 1.00 0.00 C ATOM 543 CD GLN A 128 7.872 0.426 5.563 1.00 0.00 C ATOM 544 OE1 GLN A 128 7.874 -0.599 4.756 1.00 0.00 O flip ATOM 545 NE2 GLN A 128 6.907 1.164 5.605 1.00 0.00 N flip ATOM 0 H GLN A 128 12.393 3.202 4.737 1.00 0.00 H new ATOM 0 HA GLN A 128 11.417 1.195 5.257 1.00 0.00 H new ATOM 0 HB2 GLN A 128 10.136 2.492 7.020 1.00 0.00 H new ATOM 0 HB3 GLN A 128 8.858 2.751 5.850 1.00 0.00 H new ATOM 0 HG2 GLN A 128 9.850 -0.078 6.278 1.00 0.00 H new ATOM 0 HG3 GLN A 128 8.811 0.628 7.501 1.00 0.00 H new ATOM 0 HE21 GLN A 128 6.905 1.966 6.236 1.00 0.00 H new ATOM 0 HE22 GLN A 128 6.099 0.982 5.009 1.00 0.00 H new ATOM 554 N GLY A 129 8.810 2.090 3.439 1.00 0.00 N ATOM 555 CA GLY A 129 8.078 1.722 2.193 1.00 0.00 C ATOM 556 C GLY A 129 6.643 2.248 2.271 1.00 0.00 C ATOM 557 O GLY A 129 6.191 2.691 3.308 1.00 0.00 O ATOM 0 H GLY A 129 8.341 2.774 4.033 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.584 2.142 1.324 1.00 0.00 H new ATOM 0 HA3 GLY A 129 8.074 0.639 2.067 1.00 0.00 H new ATOM 561 N MET A 130 5.923 2.201 1.183 1.00 0.00 N ATOM 562 CA MET A 130 4.518 2.700 1.203 1.00 0.00 C ATOM 563 C MET A 130 3.577 1.553 1.576 1.00 0.00 C ATOM 564 O MET A 130 3.310 0.674 0.781 1.00 0.00 O ATOM 565 CB MET A 130 4.145 3.240 -0.180 1.00 0.00 C ATOM 566 CG MET A 130 5.388 3.814 -0.862 1.00 0.00 C ATOM 567 SD MET A 130 4.911 5.209 -1.912 1.00 0.00 S ATOM 568 CE MET A 130 4.959 6.481 -0.626 1.00 0.00 C ATOM 0 H MET A 130 6.245 1.840 0.285 1.00 0.00 H new ATOM 0 HA MET A 130 4.427 3.499 1.938 1.00 0.00 H new ATOM 0 HB2 MET A 130 3.719 2.443 -0.790 1.00 0.00 H new ATOM 0 HB3 MET A 130 3.381 4.012 -0.086 1.00 0.00 H new ATOM 0 HG2 MET A 130 6.109 4.139 -0.112 1.00 0.00 H new ATOM 0 HG3 MET A 130 5.875 3.044 -1.461 1.00 0.00 H new ATOM 0 HE1 MET A 130 4.692 7.446 -1.058 1.00 0.00 H new ATOM 0 HE2 MET A 130 4.250 6.228 0.162 1.00 0.00 H new ATOM 0 HE3 MET A 130 5.964 6.537 -0.207 1.00 0.00 H new ATOM 578 N LYS A 131 3.074 1.556 2.780 1.00 0.00 N ATOM 579 CA LYS A 131 2.154 0.463 3.204 1.00 0.00 C ATOM 580 C LYS A 131 0.704 0.927 3.073 1.00 0.00 C ATOM 581 O LYS A 131 0.324 1.963 3.580 1.00 0.00 O ATOM 582 CB LYS A 131 2.437 0.099 4.661 1.00 0.00 C ATOM 583 CG LYS A 131 1.669 -1.171 5.033 1.00 0.00 C ATOM 584 CD LYS A 131 0.542 -0.820 6.007 1.00 0.00 C ATOM 585 CE LYS A 131 1.059 -0.923 7.443 1.00 0.00 C ATOM 586 NZ LYS A 131 -0.086 -1.159 8.368 1.00 0.00 N ATOM 0 H LYS A 131 3.260 2.267 3.487 1.00 0.00 H new ATOM 0 HA LYS A 131 2.314 -0.408 2.568 1.00 0.00 H new ATOM 0 HB2 LYS A 131 3.506 -0.055 4.806 1.00 0.00 H new ATOM 0 HB3 LYS A 131 2.141 0.919 5.315 1.00 0.00 H new ATOM 0 HG2 LYS A 131 1.258 -1.636 4.137 1.00 0.00 H new ATOM 0 HG3 LYS A 131 2.344 -1.897 5.487 1.00 0.00 H new ATOM 0 HD2 LYS A 131 0.179 0.189 5.811 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -0.301 -1.496 5.863 1.00 0.00 H new ATOM 0 HE2 LYS A 131 1.779 -1.737 7.524 1.00 0.00 H new ATOM 0 HE3 LYS A 131 1.581 -0.007 7.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 0.265 -1.229 9.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -0.758 -0.368 8.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -0.565 -2.045 8.108 1.00 0.00 H new ATOM 600 N CYS A 132 -0.111 0.164 2.401 1.00 0.00 N ATOM 601 CA CYS A 132 -1.537 0.557 2.241 1.00 0.00 C ATOM 602 C CYS A 132 -2.227 0.492 3.605 1.00 0.00 C ATOM 603 O CYS A 132 -2.290 -0.545 4.233 1.00 0.00 O ATOM 604 CB CYS A 132 -2.225 -0.396 1.265 1.00 0.00 C ATOM 605 SG CYS A 132 -3.939 0.129 1.011 1.00 0.00 S ATOM 0 H CYS A 132 0.150 -0.716 1.955 1.00 0.00 H new ATOM 0 HA CYS A 132 -1.599 1.572 1.848 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -1.692 -0.406 0.314 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -2.200 -1.413 1.655 1.00 0.00 H new ATOM 0 HG CYS A 132 -4.720 -0.910 1.038 1.00 0.00 H new ATOM 610 N SER A 133 -2.734 1.599 4.073 1.00 0.00 N ATOM 611 CA SER A 133 -3.409 1.608 5.404 1.00 0.00 C ATOM 612 C SER A 133 -4.839 1.075 5.273 1.00 0.00 C ATOM 613 O SER A 133 -5.626 1.159 6.194 1.00 0.00 O ATOM 614 CB SER A 133 -3.451 3.039 5.941 1.00 0.00 C ATOM 615 OG SER A 133 -4.048 3.040 7.231 1.00 0.00 O ATOM 0 H SER A 133 -2.711 2.498 3.592 1.00 0.00 H new ATOM 0 HA SER A 133 -2.852 0.970 6.090 1.00 0.00 H new ATOM 0 HB2 SER A 133 -2.443 3.449 5.994 1.00 0.00 H new ATOM 0 HB3 SER A 133 -4.019 3.677 5.264 1.00 0.00 H new ATOM 0 HG SER A 133 -4.712 2.321 7.285 1.00 0.00 H new ATOM 621 N CYS A 134 -5.184 0.529 4.140 1.00 0.00 N ATOM 622 CA CYS A 134 -6.565 0.000 3.963 1.00 0.00 C ATOM 623 C CYS A 134 -6.517 -1.448 3.460 1.00 0.00 C ATOM 624 O CYS A 134 -7.502 -2.158 3.503 1.00 0.00 O ATOM 625 CB CYS A 134 -7.314 0.866 2.948 1.00 0.00 C ATOM 626 SG CYS A 134 -9.035 1.063 3.473 1.00 0.00 S ATOM 0 H CYS A 134 -4.571 0.426 3.331 1.00 0.00 H new ATOM 0 HA CYS A 134 -7.081 0.025 4.923 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -6.835 1.841 2.863 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -7.275 0.404 1.961 1.00 0.00 H new ATOM 0 HG CYS A 134 -9.519 -0.094 3.816 1.00 0.00 H new ATOM 632 N CYS A 135 -5.387 -1.895 2.976 1.00 0.00 N ATOM 633 CA CYS A 135 -5.306 -3.297 2.469 1.00 0.00 C ATOM 634 C CYS A 135 -3.956 -3.924 2.841 1.00 0.00 C ATOM 635 O CYS A 135 -3.672 -5.049 2.484 1.00 0.00 O ATOM 636 CB CYS A 135 -5.466 -3.297 0.947 1.00 0.00 C ATOM 637 SG CYS A 135 -4.027 -2.503 0.184 1.00 0.00 S ATOM 0 H CYS A 135 -4.524 -1.355 2.910 1.00 0.00 H new ATOM 0 HA CYS A 135 -6.103 -3.884 2.925 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -5.566 -4.319 0.582 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -6.377 -2.768 0.667 1.00 0.00 H new ATOM 0 HG CYS A 135 -4.146 -1.212 0.274 1.00 0.00 H new ATOM 642 N GLU A 136 -3.123 -3.215 3.553 1.00 0.00 N ATOM 643 CA GLU A 136 -1.802 -3.788 3.936 1.00 0.00 C ATOM 644 C GLU A 136 -1.037 -4.188 2.674 1.00 0.00 C ATOM 645 O GLU A 136 -0.890 -5.355 2.366 1.00 0.00 O ATOM 646 CB GLU A 136 -2.017 -5.022 4.816 1.00 0.00 C ATOM 647 CG GLU A 136 -2.403 -4.581 6.229 1.00 0.00 C ATOM 648 CD GLU A 136 -1.572 -5.359 7.251 1.00 0.00 C ATOM 649 OE1 GLU A 136 -1.587 -6.576 7.192 1.00 0.00 O ATOM 650 OE2 GLU A 136 -0.934 -4.722 8.073 1.00 0.00 O ATOM 0 H GLU A 136 -3.299 -2.267 3.885 1.00 0.00 H new ATOM 0 HA GLU A 136 -1.228 -3.044 4.489 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -2.800 -5.651 4.393 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -1.108 -5.623 4.847 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -2.234 -3.511 6.346 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -3.465 -4.757 6.399 1.00 0.00 H new ATOM 657 N MET A 137 -0.548 -3.227 1.941 1.00 0.00 N ATOM 658 CA MET A 137 0.209 -3.545 0.696 1.00 0.00 C ATOM 659 C MET A 137 1.442 -2.642 0.605 1.00 0.00 C ATOM 660 O MET A 137 1.334 -1.444 0.432 1.00 0.00 O ATOM 661 CB MET A 137 -0.688 -3.305 -0.521 1.00 0.00 C ATOM 662 CG MET A 137 -0.290 -4.260 -1.647 1.00 0.00 C ATOM 663 SD MET A 137 -1.764 -4.741 -2.580 1.00 0.00 S ATOM 664 CE MET A 137 -0.934 -5.118 -4.142 1.00 0.00 C ATOM 0 H MET A 137 -0.640 -2.233 2.150 1.00 0.00 H new ATOM 0 HA MET A 137 0.522 -4.589 0.717 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.733 -3.459 -0.252 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.595 -2.272 -0.856 1.00 0.00 H new ATOM 0 HG2 MET A 137 0.431 -3.779 -2.308 1.00 0.00 H new ATOM 0 HG3 MET A 137 0.196 -5.144 -1.234 1.00 0.00 H new ATOM 0 HE1 MET A 137 -1.671 -5.442 -4.877 1.00 0.00 H new ATOM 0 HE2 MET A 137 -0.424 -4.227 -4.508 1.00 0.00 H new ATOM 0 HE3 MET A 137 -0.205 -5.913 -3.984 1.00 0.00 H new ATOM 674 N ASN A 138 2.612 -3.205 0.719 1.00 0.00 N ATOM 675 CA ASN A 138 3.848 -2.376 0.642 1.00 0.00 C ATOM 676 C ASN A 138 4.310 -2.279 -0.812 1.00 0.00 C ATOM 677 O ASN A 138 4.307 -3.251 -1.541 1.00 0.00 O ATOM 678 CB ASN A 138 4.948 -3.023 1.485 1.00 0.00 C ATOM 679 CG ASN A 138 4.712 -2.711 2.964 1.00 0.00 C ATOM 680 OD1 ASN A 138 4.401 -1.591 3.317 1.00 0.00 O ATOM 681 ND2 ASN A 138 4.848 -3.660 3.849 1.00 0.00 N ATOM 0 H ASN A 138 2.767 -4.203 0.862 1.00 0.00 H new ATOM 0 HA ASN A 138 3.638 -1.376 1.022 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.954 -4.101 1.327 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.924 -2.650 1.176 1.00 0.00 H new ATOM 0 HD21 ASN A 138 4.693 -3.462 4.837 1.00 0.00 H new ATOM 0 HD22 ASN A 138 5.109 -4.600 3.552 1.00 0.00 H new ATOM 688 N VAL A 139 4.709 -1.112 -1.240 1.00 0.00 N ATOM 689 CA VAL A 139 5.173 -0.952 -2.647 1.00 0.00 C ATOM 690 C VAL A 139 6.226 0.155 -2.714 1.00 0.00 C ATOM 691 O VAL A 139 6.435 0.886 -1.765 1.00 0.00 O ATOM 692 CB VAL A 139 3.986 -0.581 -3.539 1.00 0.00 C ATOM 693 CG1 VAL A 139 2.823 -1.537 -3.269 1.00 0.00 C ATOM 694 CG2 VAL A 139 3.548 0.853 -3.231 1.00 0.00 C ATOM 0 H VAL A 139 4.734 -0.263 -0.676 1.00 0.00 H new ATOM 0 HA VAL A 139 5.608 -1.889 -2.994 1.00 0.00 H new ATOM 0 HB VAL A 139 4.281 -0.657 -4.586 1.00 0.00 H new ATOM 0 HG11 VAL A 139 1.979 -1.271 -3.905 1.00 0.00 H new ATOM 0 HG12 VAL A 139 3.134 -2.559 -3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 139 2.527 -1.463 -2.223 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.703 1.119 -3.865 1.00 0.00 H new ATOM 0 HG22 VAL A 139 3.254 0.927 -2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 139 4.376 1.536 -3.424 1.00 0.00 H new ATOM 704 N HIS A 140 6.889 0.284 -3.830 1.00 0.00 N ATOM 705 CA HIS A 140 7.928 1.345 -3.964 1.00 0.00 C ATOM 706 C HIS A 140 7.250 2.685 -4.248 1.00 0.00 C ATOM 707 O HIS A 140 6.042 2.775 -4.338 1.00 0.00 O ATOM 708 CB HIS A 140 8.864 0.997 -5.122 1.00 0.00 C ATOM 709 CG HIS A 140 9.749 -0.152 -4.728 1.00 0.00 C ATOM 710 ND1 HIS A 140 9.445 -1.465 -5.051 1.00 0.00 N ATOM 711 CD2 HIS A 140 10.935 -0.200 -4.038 1.00 0.00 C ATOM 712 CE1 HIS A 140 10.429 -2.241 -4.559 1.00 0.00 C ATOM 713 NE2 HIS A 140 11.362 -1.521 -3.932 1.00 0.00 N ATOM 0 H HIS A 140 6.756 -0.300 -4.656 1.00 0.00 H new ATOM 0 HA HIS A 140 8.501 1.413 -3.039 1.00 0.00 H new ATOM 0 HB2 HIS A 140 8.283 0.735 -6.006 1.00 0.00 H new ATOM 0 HB3 HIS A 140 9.471 1.863 -5.385 1.00 0.00 H new ATOM 0 HD1 HIS A 140 8.625 -1.785 -5.567 1.00 0.00 H new ATOM 0 HD2 HIS A 140 11.457 0.657 -3.638 1.00 0.00 H new ATOM 0 HE1 HIS A 140 10.460 -3.316 -4.659 1.00 0.00 H new ATOM 720 N ARG A 141 8.019 3.729 -4.398 1.00 0.00 N ATOM 721 CA ARG A 141 7.416 5.061 -4.684 1.00 0.00 C ATOM 722 C ARG A 141 7.041 5.134 -6.166 1.00 0.00 C ATOM 723 O ARG A 141 6.083 5.779 -6.545 1.00 0.00 O ATOM 724 CB ARG A 141 8.431 6.160 -4.359 1.00 0.00 C ATOM 725 CG ARG A 141 7.834 7.117 -3.325 1.00 0.00 C ATOM 726 CD ARG A 141 6.688 7.907 -3.961 1.00 0.00 C ATOM 727 NE ARG A 141 7.061 8.288 -5.352 1.00 0.00 N ATOM 728 CZ ARG A 141 7.795 9.346 -5.566 1.00 0.00 C ATOM 729 NH1 ARG A 141 9.082 9.298 -5.358 1.00 0.00 N ATOM 730 NH2 ARG A 141 7.242 10.450 -5.987 1.00 0.00 N ATOM 0 H ARG A 141 9.037 3.717 -4.335 1.00 0.00 H new ATOM 0 HA ARG A 141 6.524 5.200 -4.073 1.00 0.00 H new ATOM 0 HB2 ARG A 141 9.350 5.718 -3.973 1.00 0.00 H new ATOM 0 HB3 ARG A 141 8.695 6.705 -5.265 1.00 0.00 H new ATOM 0 HG2 ARG A 141 7.470 6.557 -2.464 1.00 0.00 H new ATOM 0 HG3 ARG A 141 8.601 7.800 -2.960 1.00 0.00 H new ATOM 0 HD2 ARG A 141 5.778 7.307 -3.968 1.00 0.00 H new ATOM 0 HD3 ARG A 141 6.476 8.800 -3.372 1.00 0.00 H new ATOM 0 HE ARG A 141 6.742 7.721 -6.138 1.00 0.00 H new ATOM 0 HH11 ARG A 141 9.514 8.434 -5.029 1.00 0.00 H new ATOM 0 HH12 ARG A 141 9.657 10.124 -5.525 1.00 0.00 H new ATOM 0 HH21 ARG A 141 6.236 10.487 -6.149 1.00 0.00 H new ATOM 0 HH22 ARG A 141 7.816 11.276 -6.154 1.00 0.00 H new ATOM 744 N ARG A 142 7.791 4.476 -7.007 1.00 0.00 N ATOM 745 CA ARG A 142 7.485 4.502 -8.464 1.00 0.00 C ATOM 746 C ARG A 142 6.557 3.335 -8.816 1.00 0.00 C ATOM 747 O ARG A 142 6.132 3.188 -9.945 1.00 0.00 O ATOM 748 CB ARG A 142 8.787 4.375 -9.257 1.00 0.00 C ATOM 749 CG ARG A 142 8.466 4.149 -10.736 1.00 0.00 C ATOM 750 CD ARG A 142 9.605 4.702 -11.595 1.00 0.00 C ATOM 751 NE ARG A 142 9.042 5.595 -12.647 1.00 0.00 N ATOM 752 CZ ARG A 142 9.278 5.353 -13.909 1.00 0.00 C ATOM 753 NH1 ARG A 142 9.432 4.125 -14.323 1.00 0.00 N ATOM 754 NH2 ARG A 142 9.360 6.341 -14.756 1.00 0.00 N ATOM 0 H ARG A 142 8.605 3.920 -6.746 1.00 0.00 H new ATOM 0 HA ARG A 142 6.994 5.442 -8.715 1.00 0.00 H new ATOM 0 HB2 ARG A 142 9.387 5.277 -9.138 1.00 0.00 H new ATOM 0 HB3 ARG A 142 9.380 3.545 -8.872 1.00 0.00 H new ATOM 0 HG2 ARG A 142 8.332 3.085 -10.932 1.00 0.00 H new ATOM 0 HG3 ARG A 142 7.529 4.641 -10.995 1.00 0.00 H new ATOM 0 HD2 ARG A 142 10.310 5.254 -10.973 1.00 0.00 H new ATOM 0 HD3 ARG A 142 10.159 3.884 -12.055 1.00 0.00 H new ATOM 0 HE ARG A 142 8.471 6.397 -12.381 1.00 0.00 H new ATOM 0 HH11 ARG A 142 9.368 3.352 -13.661 1.00 0.00 H new ATOM 0 HH12 ARG A 142 9.616 3.938 -15.309 1.00 0.00 H new ATOM 0 HH21 ARG A 142 9.240 7.301 -14.433 1.00 0.00 H new ATOM 0 HH22 ARG A 142 9.544 6.154 -15.742 1.00 0.00 H new ATOM 768 N CYS A 143 6.240 2.504 -7.860 1.00 0.00 N ATOM 769 CA CYS A 143 5.340 1.351 -8.142 1.00 0.00 C ATOM 770 C CYS A 143 3.887 1.773 -7.916 1.00 0.00 C ATOM 771 O CYS A 143 2.972 1.229 -8.501 1.00 0.00 O ATOM 772 CB CYS A 143 5.681 0.192 -7.202 1.00 0.00 C ATOM 773 SG CYS A 143 7.177 -0.645 -7.783 1.00 0.00 S ATOM 0 H CYS A 143 6.566 2.574 -6.896 1.00 0.00 H new ATOM 0 HA CYS A 143 5.474 1.033 -9.176 1.00 0.00 H new ATOM 0 HB2 CYS A 143 5.832 0.565 -6.189 1.00 0.00 H new ATOM 0 HB3 CYS A 143 4.851 -0.513 -7.162 1.00 0.00 H new ATOM 0 HG CYS A 143 7.346 -1.746 -7.113 1.00 0.00 H new ATOM 778 N VAL A 144 3.670 2.741 -7.069 1.00 0.00 N ATOM 779 CA VAL A 144 2.278 3.200 -6.800 1.00 0.00 C ATOM 780 C VAL A 144 1.705 3.865 -8.054 1.00 0.00 C ATOM 781 O VAL A 144 0.542 3.717 -8.371 1.00 0.00 O ATOM 782 CB VAL A 144 2.292 4.206 -5.648 1.00 0.00 C ATOM 783 CG1 VAL A 144 0.855 4.524 -5.226 1.00 0.00 C ATOM 784 CG2 VAL A 144 3.050 3.610 -4.459 1.00 0.00 C ATOM 0 H VAL A 144 4.397 3.234 -6.551 1.00 0.00 H new ATOM 0 HA VAL A 144 1.658 2.345 -6.531 1.00 0.00 H new ATOM 0 HB VAL A 144 2.786 5.121 -5.974 1.00 0.00 H new ATOM 0 HG11 VAL A 144 0.867 5.241 -4.405 1.00 0.00 H new ATOM 0 HG12 VAL A 144 0.313 4.949 -6.071 1.00 0.00 H new ATOM 0 HG13 VAL A 144 0.360 3.609 -4.901 1.00 0.00 H new ATOM 0 HG21 VAL A 144 3.060 4.327 -3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 144 2.556 2.694 -4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 144 4.074 3.384 -4.756 1.00 0.00 H new ATOM 794 N ARG A 145 2.514 4.598 -8.769 1.00 0.00 N ATOM 795 CA ARG A 145 2.017 5.275 -10.001 1.00 0.00 C ATOM 796 C ARG A 145 1.711 4.228 -11.076 1.00 0.00 C ATOM 797 O ARG A 145 1.164 4.536 -12.116 1.00 0.00 O ATOM 798 CB ARG A 145 3.086 6.241 -10.519 1.00 0.00 C ATOM 799 CG ARG A 145 2.416 7.512 -11.043 1.00 0.00 C ATOM 800 CD ARG A 145 3.041 8.734 -10.369 1.00 0.00 C ATOM 801 NE ARG A 145 1.964 9.670 -9.940 1.00 0.00 N ATOM 802 CZ ARG A 145 2.258 10.711 -9.210 1.00 0.00 C ATOM 803 NH1 ARG A 145 3.207 10.636 -8.316 1.00 0.00 N ATOM 804 NH2 ARG A 145 1.603 11.827 -9.372 1.00 0.00 N ATOM 0 H ARG A 145 3.498 4.758 -8.553 1.00 0.00 H new ATOM 0 HA ARG A 145 1.108 5.829 -9.767 1.00 0.00 H new ATOM 0 HB2 ARG A 145 3.785 6.489 -9.720 1.00 0.00 H new ATOM 0 HB3 ARG A 145 3.664 5.768 -11.313 1.00 0.00 H new ATOM 0 HG2 ARG A 145 2.535 7.579 -12.124 1.00 0.00 H new ATOM 0 HG3 ARG A 145 1.345 7.481 -10.842 1.00 0.00 H new ATOM 0 HD2 ARG A 145 3.633 8.424 -9.508 1.00 0.00 H new ATOM 0 HD3 ARG A 145 3.720 9.235 -11.059 1.00 0.00 H new ATOM 0 HE ARG A 145 0.998 9.497 -10.217 1.00 0.00 H new ATOM 0 HH11 ARG A 145 3.719 9.763 -8.188 1.00 0.00 H new ATOM 0 HH12 ARG A 145 3.436 11.450 -7.746 1.00 0.00 H new ATOM 0 HH21 ARG A 145 0.861 11.886 -10.069 1.00 0.00 H new ATOM 0 HH22 ARG A 145 1.833 12.641 -8.801 1.00 0.00 H new ATOM 818 N SER A 146 2.059 2.994 -10.834 1.00 0.00 N ATOM 819 CA SER A 146 1.785 1.933 -11.844 1.00 0.00 C ATOM 820 C SER A 146 0.647 1.037 -11.349 1.00 0.00 C ATOM 821 O SER A 146 0.216 0.130 -12.034 1.00 0.00 O ATOM 822 CB SER A 146 3.042 1.089 -12.054 1.00 0.00 C ATOM 823 OG SER A 146 4.162 1.948 -12.222 1.00 0.00 O ATOM 0 H SER A 146 2.520 2.675 -9.982 1.00 0.00 H new ATOM 0 HA SER A 146 1.498 2.398 -12.787 1.00 0.00 H new ATOM 0 HB2 SER A 146 3.199 0.431 -11.199 1.00 0.00 H new ATOM 0 HB3 SER A 146 2.924 0.451 -12.930 1.00 0.00 H new ATOM 0 HG SER A 146 4.572 2.126 -11.350 1.00 0.00 H new ATOM 829 N VAL A 147 0.157 1.280 -10.164 1.00 0.00 N ATOM 830 CA VAL A 147 -0.950 0.438 -9.630 1.00 0.00 C ATOM 831 C VAL A 147 -2.266 0.837 -10.311 1.00 0.00 C ATOM 832 O VAL A 147 -2.605 2.002 -10.352 1.00 0.00 O ATOM 833 CB VAL A 147 -1.072 0.662 -8.121 1.00 0.00 C ATOM 834 CG1 VAL A 147 -2.199 -0.210 -7.564 1.00 0.00 C ATOM 835 CG2 VAL A 147 0.246 0.282 -7.442 1.00 0.00 C ATOM 0 H VAL A 147 0.475 2.024 -9.543 1.00 0.00 H new ATOM 0 HA VAL A 147 -0.740 -0.613 -9.829 1.00 0.00 H new ATOM 0 HB VAL A 147 -1.294 1.711 -7.927 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -2.285 -0.050 -6.489 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -3.139 0.057 -8.047 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -1.977 -1.259 -7.758 1.00 0.00 H new ATOM 0 HG21 VAL A 147 0.161 0.441 -6.367 1.00 0.00 H new ATOM 0 HG22 VAL A 147 0.466 -0.767 -7.637 1.00 0.00 H new ATOM 0 HG23 VAL A 147 1.051 0.901 -7.838 1.00 0.00 H new ATOM 845 N PRO A 148 -2.972 -0.142 -10.825 1.00 0.00 N ATOM 846 CA PRO A 148 -4.259 0.081 -11.507 1.00 0.00 C ATOM 847 C PRO A 148 -5.394 0.237 -10.485 1.00 0.00 C ATOM 848 O PRO A 148 -6.479 -0.278 -10.671 1.00 0.00 O ATOM 849 CB PRO A 148 -4.451 -1.193 -12.332 1.00 0.00 C ATOM 850 CG PRO A 148 -3.594 -2.287 -11.652 1.00 0.00 C ATOM 851 CD PRO A 148 -2.552 -1.558 -10.782 1.00 0.00 C ATOM 0 HA PRO A 148 -4.268 0.987 -12.112 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -5.501 -1.483 -12.359 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -4.136 -1.039 -13.364 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -4.216 -2.943 -11.043 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -3.105 -2.914 -12.397 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -2.547 -1.941 -9.762 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -1.544 -1.687 -11.176 1.00 0.00 H new ATOM 859 N SER A 149 -5.155 0.939 -9.411 1.00 0.00 N ATOM 860 CA SER A 149 -6.221 1.120 -8.386 1.00 0.00 C ATOM 861 C SER A 149 -6.902 -0.222 -8.109 1.00 0.00 C ATOM 862 O SER A 149 -7.991 -0.485 -8.577 1.00 0.00 O ATOM 863 CB SER A 149 -7.256 2.122 -8.899 1.00 0.00 C ATOM 864 OG SER A 149 -8.483 1.924 -8.211 1.00 0.00 O ATOM 0 H SER A 149 -4.267 1.395 -9.199 1.00 0.00 H new ATOM 0 HA SER A 149 -5.776 1.496 -7.464 1.00 0.00 H new ATOM 0 HB2 SER A 149 -6.900 3.141 -8.745 1.00 0.00 H new ATOM 0 HB3 SER A 149 -7.402 1.994 -9.971 1.00 0.00 H new ATOM 0 HG SER A 149 -8.893 1.085 -8.509 1.00 0.00 H new ATOM 870 N LEU A 150 -6.267 -1.071 -7.348 1.00 0.00 N ATOM 871 CA LEU A 150 -6.875 -2.395 -7.035 1.00 0.00 C ATOM 872 C LEU A 150 -6.753 -2.664 -5.535 1.00 0.00 C ATOM 873 O LEU A 150 -6.040 -3.552 -5.109 1.00 0.00 O ATOM 874 CB LEU A 150 -6.143 -3.492 -7.811 1.00 0.00 C ATOM 875 CG LEU A 150 -7.164 -4.429 -8.458 1.00 0.00 C ATOM 876 CD1 LEU A 150 -6.957 -4.442 -9.974 1.00 0.00 C ATOM 877 CD2 LEU A 150 -6.979 -5.844 -7.907 1.00 0.00 C ATOM 0 H LEU A 150 -5.352 -0.904 -6.929 1.00 0.00 H new ATOM 0 HA LEU A 150 -7.926 -2.390 -7.322 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -5.506 -3.048 -8.576 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -5.492 -4.054 -7.141 1.00 0.00 H new ATOM 0 HG LEU A 150 -8.171 -4.079 -8.232 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -7.685 -5.110 -10.435 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -7.089 -3.434 -10.368 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -5.950 -4.791 -10.201 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -7.707 -6.512 -8.368 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -5.972 -6.194 -8.133 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -7.127 -5.836 -6.827 1.00 0.00 H new ATOM 889 N CYS A 151 -7.444 -1.903 -4.730 1.00 0.00 N ATOM 890 CA CYS A 151 -7.372 -2.118 -3.257 1.00 0.00 C ATOM 891 C CYS A 151 -8.404 -3.170 -2.859 1.00 0.00 C ATOM 892 O CYS A 151 -9.227 -2.960 -1.990 1.00 0.00 O ATOM 893 CB CYS A 151 -7.665 -0.803 -2.532 1.00 0.00 C ATOM 894 SG CYS A 151 -6.997 -0.877 -0.852 1.00 0.00 S ATOM 0 H CYS A 151 -8.055 -1.143 -5.029 1.00 0.00 H new ATOM 0 HA CYS A 151 -6.375 -2.461 -2.981 1.00 0.00 H new ATOM 0 HB2 CYS A 151 -7.220 0.031 -3.075 1.00 0.00 H new ATOM 0 HB3 CYS A 151 -8.740 -0.625 -2.500 1.00 0.00 H new ATOM 0 HG CYS A 151 -5.892 -1.562 -0.854 1.00 0.00 H new