USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=19 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 115 CYS SG : rot 7:sc= 0.173 USER MOD Set 1.2: A 117 HIS : no HD1:sc= -0.686 X(o=-21,f=-21) USER MOD Set 1.3: A 118 CYS SG : rot -56:sc= -3.7! USER MOD Set 1.4: A 120 SER OG : rot 84:sc= 1.08 USER MOD Set 1.5: A 140 HIS : no HE2:sc= -15.9! C(o=-21!,f=-27!) USER MOD Set 1.6: A 143 CYS SG : rot -170:sc= -2.04! USER MOD Set 2.1: A 108 SER OG : rot -67:sc= -1.86! USER MOD Set 2.2: A 127 HIS : no HD1:sc= -2! C(o=-3.9!,f=-3.4!) USER MOD Set 3.1: A 102 HIS : no HE2:sc= -8.94! C(o=-11!,f=-14!) USER MOD Set 3.2: A 132 CYS SG : rot -2:sc= -1.18 USER MOD Set 3.3: A 135 CYS SG : rot -57:sc= 0.17 USER MOD Set 3.4: A 151 CYS SG : rot 47:sc= -0.911 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.741 X(o=-0.74,f=-0.75) USER MOD Single : A 109 TYR OH : rot 150:sc= -2.04! USER MOD Single : A 110 SER OG : rot -67:sc= 0.937 USER MOD Single : A 111 SER OG : rot 53:sc= 0.802 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= -3.29! C(o=-3.3!,f=-11!) USER MOD Single : A 130 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 CYS SG : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 ASN : amide:sc= -0.569 X(o=-0.57,f=-0.57) USER MOD Single : A 146 SER OG : rot 173:sc= 0 USER MOD Single : A 149 SER OG : rot 180:sc= -0.78 USER MOD ----------------------------------------------------------------- ATOM 132 N HIS A 102 -5.708 2.536 -3.079 1.00 0.00 N ATOM 133 CA HIS A 102 -4.975 2.143 -1.842 1.00 0.00 C ATOM 134 C HIS A 102 -4.583 3.395 -1.056 1.00 0.00 C ATOM 135 O HIS A 102 -4.231 4.411 -1.622 1.00 0.00 O ATOM 136 CB HIS A 102 -3.707 1.372 -2.218 1.00 0.00 C ATOM 137 CG HIS A 102 -4.073 0.159 -3.026 1.00 0.00 C ATOM 138 ND1 HIS A 102 -4.596 -0.987 -2.447 1.00 0.00 N ATOM 139 CD2 HIS A 102 -3.993 -0.104 -4.370 1.00 0.00 C ATOM 140 CE1 HIS A 102 -4.809 -1.878 -3.431 1.00 0.00 C ATOM 141 NE2 HIS A 102 -4.459 -1.391 -4.625 1.00 0.00 N ATOM 0 HA HIS A 102 -5.621 1.513 -1.230 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -3.036 2.013 -2.790 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -3.171 1.073 -1.317 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -4.785 -1.128 -1.455 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -3.624 0.583 -5.117 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -5.214 -2.867 -3.275 1.00 0.00 H new ATOM 148 N LYS A 103 -4.627 3.325 0.247 1.00 0.00 N ATOM 149 CA LYS A 103 -4.244 4.505 1.070 1.00 0.00 C ATOM 150 C LYS A 103 -2.744 4.438 1.359 1.00 0.00 C ATOM 151 O LYS A 103 -2.306 4.630 2.476 1.00 0.00 O ATOM 152 CB LYS A 103 -5.021 4.486 2.387 1.00 0.00 C ATOM 153 CG LYS A 103 -5.641 5.863 2.637 1.00 0.00 C ATOM 154 CD LYS A 103 -5.385 6.283 4.085 1.00 0.00 C ATOM 155 CE LYS A 103 -6.252 7.496 4.425 1.00 0.00 C ATOM 156 NZ LYS A 103 -5.380 8.691 4.613 1.00 0.00 N ATOM 0 H LYS A 103 -4.912 2.501 0.776 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.477 5.424 0.532 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.801 3.726 2.350 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.357 4.220 3.209 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -5.212 6.596 1.953 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.713 5.832 2.440 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -5.614 5.458 4.760 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -4.331 6.525 4.224 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.971 7.679 3.626 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.825 7.304 5.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -5.968 9.517 4.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -4.711 8.514 5.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -4.852 8.877 3.737 1.00 0.00 H new ATOM 170 N PHE A 104 -1.957 4.154 0.356 1.00 0.00 N ATOM 171 CA PHE A 104 -0.482 4.060 0.552 1.00 0.00 C ATOM 172 C PHE A 104 -0.008 5.171 1.491 1.00 0.00 C ATOM 173 O PHE A 104 -0.419 6.309 1.380 1.00 0.00 O ATOM 174 CB PHE A 104 0.217 4.204 -0.802 1.00 0.00 C ATOM 175 CG PHE A 104 -0.016 2.959 -1.626 1.00 0.00 C ATOM 176 CD1 PHE A 104 0.389 1.711 -1.137 1.00 0.00 C ATOM 177 CD2 PHE A 104 -0.635 3.054 -2.879 1.00 0.00 C ATOM 178 CE1 PHE A 104 0.176 0.556 -1.901 1.00 0.00 C ATOM 179 CE2 PHE A 104 -0.849 1.899 -3.644 1.00 0.00 C ATOM 180 CZ PHE A 104 -0.444 0.650 -3.154 1.00 0.00 C ATOM 0 H PHE A 104 -2.276 3.982 -0.598 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.238 3.093 0.992 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.165 5.078 -1.329 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.286 4.362 -0.656 1.00 0.00 H new ATOM 0 HD1 PHE A 104 0.866 1.639 -0.171 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.947 4.017 -3.256 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.490 -0.406 -1.524 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.326 1.972 -4.610 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.610 -0.240 -3.742 1.00 0.00 H new ATOM 190 N ARG A 105 0.857 4.848 2.413 1.00 0.00 N ATOM 191 CA ARG A 105 1.363 5.884 3.358 1.00 0.00 C ATOM 192 C ARG A 105 2.787 5.524 3.786 1.00 0.00 C ATOM 193 O ARG A 105 3.021 4.499 4.393 1.00 0.00 O ATOM 194 CB ARG A 105 0.458 5.940 4.590 1.00 0.00 C ATOM 195 CG ARG A 105 0.717 7.240 5.355 1.00 0.00 C ATOM 196 CD ARG A 105 -0.331 7.403 6.457 1.00 0.00 C ATOM 197 NE ARG A 105 0.350 7.518 7.777 1.00 0.00 N ATOM 198 CZ ARG A 105 -0.330 7.871 8.833 1.00 0.00 C ATOM 199 NH1 ARG A 105 -1.262 8.781 8.736 1.00 0.00 N ATOM 200 NH2 ARG A 105 -0.081 7.315 9.987 1.00 0.00 N ATOM 0 H ARG A 105 1.235 3.911 2.553 1.00 0.00 H new ATOM 0 HA ARG A 105 1.363 6.857 2.867 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -0.588 5.885 4.289 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.650 5.082 5.234 1.00 0.00 H new ATOM 0 HG2 ARG A 105 1.717 7.226 5.789 1.00 0.00 H new ATOM 0 HG3 ARG A 105 0.678 8.089 4.673 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.936 8.290 6.270 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.009 6.549 6.458 1.00 0.00 H new ATOM 0 HE ARG A 105 1.348 7.321 7.855 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.458 9.216 7.834 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.793 9.057 9.562 1.00 0.00 H new ATOM 0 HH21 ARG A 105 0.646 6.604 10.064 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -0.613 7.592 10.812 1.00 0.00 H new ATOM 214 N LEU A 106 3.739 6.359 3.475 1.00 0.00 N ATOM 215 CA LEU A 106 5.144 6.063 3.864 1.00 0.00 C ATOM 216 C LEU A 106 5.206 5.765 5.363 1.00 0.00 C ATOM 217 O LEU A 106 4.725 6.525 6.179 1.00 0.00 O ATOM 218 CB LEU A 106 6.027 7.270 3.538 1.00 0.00 C ATOM 219 CG LEU A 106 5.762 8.389 4.544 1.00 0.00 C ATOM 220 CD1 LEU A 106 6.616 9.608 4.190 1.00 0.00 C ATOM 221 CD2 LEU A 106 4.282 8.776 4.505 1.00 0.00 C ATOM 0 H LEU A 106 3.604 7.234 2.968 1.00 0.00 H new ATOM 0 HA LEU A 106 5.502 5.195 3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.078 6.982 3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.821 7.621 2.527 1.00 0.00 H new ATOM 0 HG LEU A 106 6.019 8.042 5.545 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.426 10.406 4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.671 9.335 4.221 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.360 9.953 3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.096 9.574 5.223 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.022 9.121 3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.672 7.909 4.760 1.00 0.00 H new ATOM 233 N HIS A 107 5.795 4.661 5.729 1.00 0.00 N ATOM 234 CA HIS A 107 5.891 4.307 7.173 1.00 0.00 C ATOM 235 C HIS A 107 7.299 3.797 7.476 1.00 0.00 C ATOM 236 O HIS A 107 8.150 3.748 6.613 1.00 0.00 O ATOM 237 CB HIS A 107 4.871 3.214 7.500 1.00 0.00 C ATOM 238 CG HIS A 107 4.139 3.574 8.763 1.00 0.00 C ATOM 239 ND1 HIS A 107 3.283 2.689 9.398 1.00 0.00 N ATOM 240 CD2 HIS A 107 4.126 4.718 9.522 1.00 0.00 C ATOM 241 CE1 HIS A 107 2.794 3.308 10.489 1.00 0.00 C ATOM 242 NE2 HIS A 107 3.276 4.548 10.611 1.00 0.00 N ATOM 0 H HIS A 107 6.215 3.987 5.089 1.00 0.00 H new ATOM 0 HA HIS A 107 5.684 5.189 7.779 1.00 0.00 H new ATOM 0 HB2 HIS A 107 4.165 3.102 6.677 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.375 2.255 7.620 1.00 0.00 H new ATOM 0 HD2 HIS A 107 4.690 5.614 9.307 1.00 0.00 H new ATOM 0 HE1 HIS A 107 2.098 2.857 11.181 1.00 0.00 H new ATOM 0 HE2 HIS A 107 3.066 5.225 11.345 1.00 0.00 H new ATOM 250 N SER A 108 7.551 3.417 8.699 1.00 0.00 N ATOM 251 CA SER A 108 8.908 2.912 9.051 1.00 0.00 C ATOM 252 C SER A 108 8.789 1.781 10.073 1.00 0.00 C ATOM 253 O SER A 108 7.915 1.780 10.918 1.00 0.00 O ATOM 254 CB SER A 108 9.734 4.051 9.649 1.00 0.00 C ATOM 255 OG SER A 108 9.320 5.284 9.075 1.00 0.00 O ATOM 0 H SER A 108 6.879 3.434 9.466 1.00 0.00 H new ATOM 0 HA SER A 108 9.397 2.536 8.152 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.606 4.079 10.731 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.794 3.886 9.458 1.00 0.00 H new ATOM 0 HG SER A 108 9.560 5.299 8.125 1.00 0.00 H new ATOM 261 N TYR A 109 9.668 0.819 10.006 1.00 0.00 N ATOM 262 CA TYR A 109 9.616 -0.312 10.976 1.00 0.00 C ATOM 263 C TYR A 109 11.043 -0.770 11.287 1.00 0.00 C ATOM 264 O TYR A 109 11.298 -1.941 11.487 1.00 0.00 O ATOM 265 CB TYR A 109 8.832 -1.482 10.372 1.00 0.00 C ATOM 266 CG TYR A 109 7.788 -0.965 9.410 1.00 0.00 C ATOM 267 CD1 TYR A 109 6.670 -0.273 9.893 1.00 0.00 C ATOM 268 CD2 TYR A 109 7.937 -1.184 8.033 1.00 0.00 C ATOM 269 CE1 TYR A 109 5.700 0.201 8.997 1.00 0.00 C ATOM 270 CE2 TYR A 109 6.968 -0.711 7.140 1.00 0.00 C ATOM 271 CZ TYR A 109 5.850 -0.019 7.621 1.00 0.00 C ATOM 272 OH TYR A 109 4.894 0.445 6.739 1.00 0.00 O ATOM 0 H TYR A 109 10.421 0.767 9.320 1.00 0.00 H new ATOM 0 HA TYR A 109 9.121 0.018 11.890 1.00 0.00 H new ATOM 0 HB2 TYR A 109 9.513 -2.157 9.854 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.354 -2.058 11.165 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.555 -0.105 10.954 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.799 -1.718 7.661 1.00 0.00 H new ATOM 0 HE1 TYR A 109 4.838 0.735 9.368 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.083 -0.880 6.080 1.00 0.00 H new ATOM 0 HH TYR A 109 5.316 0.653 5.879 1.00 0.00 H new ATOM 282 N SER A 110 11.973 0.144 11.323 1.00 0.00 N ATOM 283 CA SER A 110 13.385 -0.238 11.614 1.00 0.00 C ATOM 284 C SER A 110 14.011 -0.869 10.366 1.00 0.00 C ATOM 285 O SER A 110 15.164 -1.251 10.363 1.00 0.00 O ATOM 286 CB SER A 110 13.416 -1.245 12.763 1.00 0.00 C ATOM 287 OG SER A 110 13.442 -2.563 12.233 1.00 0.00 O ATOM 0 H SER A 110 11.817 1.139 11.164 1.00 0.00 H new ATOM 0 HA SER A 110 13.950 0.651 11.895 1.00 0.00 H new ATOM 0 HB2 SER A 110 14.293 -1.075 13.387 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.541 -1.114 13.400 1.00 0.00 H new ATOM 0 HG SER A 110 12.594 -2.750 11.780 1.00 0.00 H new ATOM 293 N SER A 111 13.257 -0.980 9.305 1.00 0.00 N ATOM 294 CA SER A 111 13.803 -1.585 8.057 1.00 0.00 C ATOM 295 C SER A 111 12.712 -1.585 6.982 1.00 0.00 C ATOM 296 O SER A 111 11.540 -1.670 7.292 1.00 0.00 O ATOM 297 CB SER A 111 14.244 -3.022 8.334 1.00 0.00 C ATOM 298 OG SER A 111 15.556 -3.012 8.883 1.00 0.00 O ATOM 0 H SER A 111 12.285 -0.677 9.249 1.00 0.00 H new ATOM 0 HA SER A 111 14.660 -1.006 7.714 1.00 0.00 H new ATOM 0 HB2 SER A 111 13.551 -3.500 9.026 1.00 0.00 H new ATOM 0 HB3 SER A 111 14.227 -3.604 7.413 1.00 0.00 H new ATOM 0 HG SER A 111 15.582 -2.412 9.657 1.00 0.00 H new ATOM 304 N PRO A 112 13.130 -1.484 5.746 1.00 0.00 N ATOM 305 CA PRO A 112 12.208 -1.465 4.599 1.00 0.00 C ATOM 306 C PRO A 112 11.696 -2.875 4.292 1.00 0.00 C ATOM 307 O PRO A 112 12.427 -3.843 4.357 1.00 0.00 O ATOM 308 CB PRO A 112 13.068 -0.926 3.453 1.00 0.00 C ATOM 309 CG PRO A 112 14.540 -1.190 3.848 1.00 0.00 C ATOM 310 CD PRO A 112 14.558 -1.380 5.378 1.00 0.00 C ATOM 0 HA PRO A 112 11.319 -0.859 4.776 1.00 0.00 H new ATOM 0 HB2 PRO A 112 12.822 -1.425 2.516 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.891 0.139 3.303 1.00 0.00 H new ATOM 0 HG2 PRO A 112 14.924 -2.076 3.343 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.176 -0.355 3.554 1.00 0.00 H new ATOM 0 HD2 PRO A 112 15.109 -2.277 5.662 1.00 0.00 H new ATOM 0 HD3 PRO A 112 15.038 -0.539 5.878 1.00 0.00 H new ATOM 318 N THR A 113 10.439 -2.991 3.958 1.00 0.00 N ATOM 319 CA THR A 113 9.867 -4.330 3.644 1.00 0.00 C ATOM 320 C THR A 113 10.036 -4.611 2.155 1.00 0.00 C ATOM 321 O THR A 113 10.536 -3.794 1.410 1.00 0.00 O ATOM 322 CB THR A 113 8.379 -4.345 3.999 1.00 0.00 C ATOM 323 OG1 THR A 113 8.143 -3.456 5.081 1.00 0.00 O ATOM 324 CG2 THR A 113 7.962 -5.761 4.397 1.00 0.00 C ATOM 0 H THR A 113 9.783 -2.213 3.889 1.00 0.00 H new ATOM 0 HA THR A 113 10.385 -5.094 4.223 1.00 0.00 H new ATOM 0 HB THR A 113 7.795 -4.027 3.135 1.00 0.00 H new ATOM 0 HG1 THR A 113 7.190 -3.463 5.309 1.00 0.00 H new ATOM 0 HG21 THR A 113 6.902 -5.771 4.650 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.143 -6.441 3.565 1.00 0.00 H new ATOM 0 HG23 THR A 113 8.544 -6.082 5.261 1.00 0.00 H new ATOM 332 N PHE A 114 9.627 -5.765 1.715 1.00 0.00 N ATOM 333 CA PHE A 114 9.769 -6.102 0.272 1.00 0.00 C ATOM 334 C PHE A 114 8.650 -5.428 -0.524 1.00 0.00 C ATOM 335 O PHE A 114 7.671 -4.966 0.028 1.00 0.00 O ATOM 336 CB PHE A 114 9.683 -7.618 0.090 1.00 0.00 C ATOM 337 CG PHE A 114 10.930 -8.264 0.641 1.00 0.00 C ATOM 338 CD1 PHE A 114 11.057 -8.481 2.019 1.00 0.00 C ATOM 339 CD2 PHE A 114 11.963 -8.648 -0.227 1.00 0.00 C ATOM 340 CE1 PHE A 114 12.215 -9.082 2.530 1.00 0.00 C ATOM 341 CE2 PHE A 114 13.121 -9.248 0.286 1.00 0.00 C ATOM 342 CZ PHE A 114 13.247 -9.464 1.664 1.00 0.00 C ATOM 0 H PHE A 114 9.200 -6.491 2.291 1.00 0.00 H new ATOM 0 HA PHE A 114 10.735 -5.747 -0.089 1.00 0.00 H new ATOM 0 HB2 PHE A 114 8.803 -8.007 0.602 1.00 0.00 H new ATOM 0 HB3 PHE A 114 9.571 -7.862 -0.966 1.00 0.00 H new ATOM 0 HD1 PHE A 114 10.262 -8.185 2.688 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.866 -8.481 -1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 114 12.312 -9.251 3.592 1.00 0.00 H new ATOM 0 HE2 PHE A 114 13.917 -9.544 -0.382 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.140 -9.925 2.059 1.00 0.00 H new ATOM 352 N CYS A 115 8.794 -5.362 -1.819 1.00 0.00 N ATOM 353 CA CYS A 115 7.747 -4.716 -2.658 1.00 0.00 C ATOM 354 C CYS A 115 6.850 -5.792 -3.272 1.00 0.00 C ATOM 355 O CYS A 115 7.297 -6.870 -3.610 1.00 0.00 O ATOM 356 CB CYS A 115 8.428 -3.908 -3.762 1.00 0.00 C ATOM 357 SG CYS A 115 7.186 -3.092 -4.792 1.00 0.00 S ATOM 0 H CYS A 115 9.595 -5.729 -2.333 1.00 0.00 H new ATOM 0 HA CYS A 115 7.134 -4.053 -2.047 1.00 0.00 H new ATOM 0 HB2 CYS A 115 9.092 -3.164 -3.322 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.046 -4.564 -4.375 1.00 0.00 H new ATOM 0 HG CYS A 115 6.008 -3.262 -4.268 1.00 0.00 H new ATOM 362 N ASP A 116 5.584 -5.511 -3.406 1.00 0.00 N ATOM 363 CA ASP A 116 4.648 -6.524 -3.982 1.00 0.00 C ATOM 364 C ASP A 116 4.491 -6.306 -5.488 1.00 0.00 C ATOM 365 O ASP A 116 4.034 -7.174 -6.205 1.00 0.00 O ATOM 366 CB ASP A 116 3.282 -6.395 -3.304 1.00 0.00 C ATOM 367 CG ASP A 116 2.714 -4.996 -3.553 1.00 0.00 C ATOM 368 OD1 ASP A 116 2.841 -4.515 -4.668 1.00 0.00 O ATOM 369 OD2 ASP A 116 2.160 -4.429 -2.626 1.00 0.00 O ATOM 0 H ASP A 116 5.154 -4.624 -3.142 1.00 0.00 H new ATOM 0 HA ASP A 116 5.055 -7.521 -3.810 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.599 -7.150 -3.693 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.378 -6.574 -2.233 1.00 0.00 H new ATOM 374 N HIS A 117 4.860 -5.156 -5.976 1.00 0.00 N ATOM 375 CA HIS A 117 4.725 -4.888 -7.434 1.00 0.00 C ATOM 376 C HIS A 117 5.995 -5.337 -8.160 1.00 0.00 C ATOM 377 O HIS A 117 5.945 -5.812 -9.277 1.00 0.00 O ATOM 378 CB HIS A 117 4.513 -3.389 -7.658 1.00 0.00 C ATOM 379 CG HIS A 117 4.637 -3.077 -9.124 1.00 0.00 C ATOM 380 ND1 HIS A 117 3.586 -3.256 -10.010 1.00 0.00 N ATOM 381 CD2 HIS A 117 5.683 -2.599 -9.874 1.00 0.00 C ATOM 382 CE1 HIS A 117 4.019 -2.890 -11.230 1.00 0.00 C ATOM 383 NE2 HIS A 117 5.290 -2.482 -11.204 1.00 0.00 N ATOM 0 H HIS A 117 5.250 -4.389 -5.428 1.00 0.00 H new ATOM 0 HA HIS A 117 3.871 -5.441 -7.826 1.00 0.00 H new ATOM 0 HB2 HIS A 117 3.529 -3.092 -7.294 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.248 -2.818 -7.091 1.00 0.00 H new ATOM 0 HD2 HIS A 117 6.662 -2.351 -9.490 1.00 0.00 H new ATOM 0 HE1 HIS A 117 3.412 -2.922 -12.123 1.00 0.00 H new ATOM 0 HE2 HIS A 117 5.852 -2.155 -11.990 1.00 0.00 H new ATOM 391 N CYS A 118 7.135 -5.192 -7.540 1.00 0.00 N ATOM 392 CA CYS A 118 8.397 -5.616 -8.210 1.00 0.00 C ATOM 393 C CYS A 118 9.051 -6.750 -7.414 1.00 0.00 C ATOM 394 O CYS A 118 9.915 -7.446 -7.909 1.00 0.00 O ATOM 395 CB CYS A 118 9.356 -4.426 -8.301 1.00 0.00 C ATOM 396 SG CYS A 118 9.660 -3.762 -6.647 1.00 0.00 S ATOM 0 H CYS A 118 7.247 -4.801 -6.605 1.00 0.00 H new ATOM 0 HA CYS A 118 8.169 -5.971 -9.215 1.00 0.00 H new ATOM 0 HB2 CYS A 118 10.296 -4.738 -8.757 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.932 -3.653 -8.942 1.00 0.00 H new ATOM 0 HG CYS A 118 8.527 -3.455 -6.088 1.00 0.00 H new ATOM 401 N GLY A 119 8.645 -6.948 -6.188 1.00 0.00 N ATOM 402 CA GLY A 119 9.244 -8.046 -5.376 1.00 0.00 C ATOM 403 C GLY A 119 10.665 -7.666 -4.952 1.00 0.00 C ATOM 404 O GLY A 119 11.489 -8.516 -4.681 1.00 0.00 O ATOM 0 H GLY A 119 7.927 -6.399 -5.715 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.631 -8.235 -4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.263 -8.969 -5.955 1.00 0.00 H new ATOM 408 N SER A 120 10.960 -6.396 -4.891 1.00 0.00 N ATOM 409 CA SER A 120 12.329 -5.971 -4.482 1.00 0.00 C ATOM 410 C SER A 120 12.253 -5.213 -3.156 1.00 0.00 C ATOM 411 O SER A 120 11.295 -4.516 -2.883 1.00 0.00 O ATOM 412 CB SER A 120 12.923 -5.060 -5.556 1.00 0.00 C ATOM 413 OG SER A 120 12.400 -5.426 -6.826 1.00 0.00 O ATOM 0 H SER A 120 10.314 -5.636 -5.106 1.00 0.00 H new ATOM 0 HA SER A 120 12.961 -6.851 -4.362 1.00 0.00 H new ATOM 0 HB2 SER A 120 12.685 -4.019 -5.338 1.00 0.00 H new ATOM 0 HB3 SER A 120 14.010 -5.144 -5.560 1.00 0.00 H new ATOM 0 HG SER A 120 11.528 -4.997 -6.957 1.00 0.00 H new ATOM 419 N LEU A 121 13.254 -5.341 -2.329 1.00 0.00 N ATOM 420 CA LEU A 121 13.235 -4.625 -1.023 1.00 0.00 C ATOM 421 C LEU A 121 13.249 -3.116 -1.260 1.00 0.00 C ATOM 422 O LEU A 121 13.984 -2.610 -2.084 1.00 0.00 O ATOM 423 CB LEU A 121 14.460 -5.019 -0.196 1.00 0.00 C ATOM 424 CG LEU A 121 14.114 -6.216 0.688 1.00 0.00 C ATOM 425 CD1 LEU A 121 15.396 -6.957 1.071 1.00 0.00 C ATOM 426 CD2 LEU A 121 13.412 -5.721 1.956 1.00 0.00 C ATOM 0 H LEU A 121 14.083 -5.910 -2.501 1.00 0.00 H new ATOM 0 HA LEU A 121 12.329 -4.900 -0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.292 -5.268 -0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 121 14.782 -4.179 0.420 1.00 0.00 H new ATOM 0 HG LEU A 121 13.455 -6.893 0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 121 15.148 -7.811 1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 121 15.898 -7.306 0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 121 16.057 -6.283 1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 121 13.163 -6.572 2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 121 14.074 -5.046 2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 121 12.499 -5.192 1.683 1.00 0.00 H new ATOM 438 N LEU A 122 12.441 -2.394 -0.536 1.00 0.00 N ATOM 439 CA LEU A 122 12.403 -0.915 -0.706 1.00 0.00 C ATOM 440 C LEU A 122 13.664 -0.305 -0.090 1.00 0.00 C ATOM 441 O LEU A 122 13.677 0.085 1.061 1.00 0.00 O ATOM 442 CB LEU A 122 11.163 -0.359 -0.002 1.00 0.00 C ATOM 443 CG LEU A 122 9.941 -1.198 -0.383 1.00 0.00 C ATOM 444 CD1 LEU A 122 8.940 -1.199 0.773 1.00 0.00 C ATOM 445 CD2 LEU A 122 9.279 -0.599 -1.625 1.00 0.00 C ATOM 0 H LEU A 122 11.803 -2.765 0.168 1.00 0.00 H new ATOM 0 HA LEU A 122 12.360 -0.664 -1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 122 11.307 -0.376 1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 122 11.006 0.682 -0.286 1.00 0.00 H new ATOM 0 HG LEU A 122 10.256 -2.220 -0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.070 -1.797 0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 122 9.409 -1.624 1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 122 8.626 -0.177 0.983 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.409 -1.196 -1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.966 0.423 -1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.990 -0.597 -2.451 1.00 0.00 H new ATOM 457 N TYR A 123 14.725 -0.225 -0.845 1.00 0.00 N ATOM 458 CA TYR A 123 15.987 0.354 -0.303 1.00 0.00 C ATOM 459 C TYR A 123 15.733 1.784 0.177 1.00 0.00 C ATOM 460 O TYR A 123 14.624 2.149 0.517 1.00 0.00 O ATOM 461 CB TYR A 123 17.053 0.367 -1.401 1.00 0.00 C ATOM 462 CG TYR A 123 17.197 -1.021 -1.977 1.00 0.00 C ATOM 463 CD1 TYR A 123 17.222 -2.133 -1.126 1.00 0.00 C ATOM 464 CD2 TYR A 123 17.307 -1.197 -3.363 1.00 0.00 C ATOM 465 CE1 TYR A 123 17.356 -3.422 -1.660 1.00 0.00 C ATOM 466 CE2 TYR A 123 17.441 -2.485 -3.897 1.00 0.00 C ATOM 467 CZ TYR A 123 17.466 -3.598 -3.045 1.00 0.00 C ATOM 468 OH TYR A 123 17.598 -4.866 -3.572 1.00 0.00 O ATOM 0 H TYR A 123 14.773 -0.536 -1.815 1.00 0.00 H new ATOM 0 HA TYR A 123 16.332 -0.252 0.535 1.00 0.00 H new ATOM 0 HB2 TYR A 123 16.774 1.071 -2.185 1.00 0.00 H new ATOM 0 HB3 TYR A 123 18.006 0.704 -0.994 1.00 0.00 H new ATOM 0 HD1 TYR A 123 17.138 -1.997 -0.058 1.00 0.00 H new ATOM 0 HD2 TYR A 123 17.288 -0.340 -4.019 1.00 0.00 H new ATOM 0 HE1 TYR A 123 17.374 -4.279 -1.003 1.00 0.00 H new ATOM 0 HE2 TYR A 123 17.525 -2.621 -4.965 1.00 0.00 H new ATOM 0 HH TYR A 123 17.661 -4.810 -4.548 1.00 0.00 H new ATOM 478 N GLY A 124 16.752 2.598 0.207 1.00 0.00 N ATOM 479 CA GLY A 124 16.571 4.005 0.664 1.00 0.00 C ATOM 480 C GLY A 124 15.636 4.740 -0.297 1.00 0.00 C ATOM 481 O GLY A 124 15.181 5.832 -0.020 1.00 0.00 O ATOM 0 H GLY A 124 17.703 2.349 -0.065 1.00 0.00 H new ATOM 0 HA2 GLY A 124 16.158 4.020 1.672 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.535 4.511 0.707 1.00 0.00 H new ATOM 485 N LEU A 125 15.346 4.151 -1.425 1.00 0.00 N ATOM 486 CA LEU A 125 14.439 4.818 -2.402 1.00 0.00 C ATOM 487 C LEU A 125 13.244 5.417 -1.658 1.00 0.00 C ATOM 488 O LEU A 125 12.660 6.394 -2.084 1.00 0.00 O ATOM 489 CB LEU A 125 13.942 3.792 -3.422 1.00 0.00 C ATOM 490 CG LEU A 125 15.105 3.353 -4.312 1.00 0.00 C ATOM 491 CD1 LEU A 125 14.739 2.051 -5.028 1.00 0.00 C ATOM 492 CD2 LEU A 125 15.391 4.441 -5.350 1.00 0.00 C ATOM 0 H LEU A 125 15.698 3.238 -1.712 1.00 0.00 H new ATOM 0 HA LEU A 125 14.981 5.610 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 125 13.517 2.929 -2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 125 13.147 4.224 -4.030 1.00 0.00 H new ATOM 0 HG LEU A 125 15.991 3.193 -3.698 1.00 0.00 H new ATOM 0 HD11 LEU A 125 15.569 1.739 -5.662 1.00 0.00 H new ATOM 0 HD12 LEU A 125 14.534 1.275 -4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 125 13.853 2.210 -5.642 1.00 0.00 H new ATOM 0 HD21 LEU A 125 16.220 4.129 -5.985 1.00 0.00 H new ATOM 0 HD22 LEU A 125 14.504 4.601 -5.963 1.00 0.00 H new ATOM 0 HD23 LEU A 125 15.653 5.369 -4.842 1.00 0.00 H new ATOM 504 N VAL A 126 12.874 4.839 -0.548 1.00 0.00 N ATOM 505 CA VAL A 126 11.719 5.376 0.223 1.00 0.00 C ATOM 506 C VAL A 126 12.004 5.243 1.719 1.00 0.00 C ATOM 507 O VAL A 126 13.009 4.692 2.121 1.00 0.00 O ATOM 508 CB VAL A 126 10.459 4.583 -0.130 1.00 0.00 C ATOM 509 CG1 VAL A 126 9.817 5.177 -1.385 1.00 0.00 C ATOM 510 CG2 VAL A 126 10.834 3.123 -0.392 1.00 0.00 C ATOM 0 H VAL A 126 13.322 4.018 -0.142 1.00 0.00 H new ATOM 0 HA VAL A 126 11.568 6.426 -0.027 1.00 0.00 H new ATOM 0 HB VAL A 126 9.753 4.635 0.698 1.00 0.00 H new ATOM 0 HG11 VAL A 126 8.919 4.612 -1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 126 9.551 6.218 -1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 126 10.523 5.125 -2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 126 9.937 2.557 -0.644 1.00 0.00 H new ATOM 0 HG22 VAL A 126 11.540 3.072 -1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 126 11.292 2.699 0.502 1.00 0.00 H new ATOM 520 N HIS A 127 11.128 5.742 2.548 1.00 0.00 N ATOM 521 CA HIS A 127 11.356 5.637 4.017 1.00 0.00 C ATOM 522 C HIS A 127 10.933 4.248 4.495 1.00 0.00 C ATOM 523 O HIS A 127 9.896 4.085 5.103 1.00 0.00 O ATOM 524 CB HIS A 127 10.528 6.700 4.742 1.00 0.00 C ATOM 525 CG HIS A 127 11.070 6.894 6.131 1.00 0.00 C ATOM 526 ND1 HIS A 127 10.259 6.854 7.254 1.00 0.00 N ATOM 527 CD2 HIS A 127 12.341 7.129 6.595 1.00 0.00 C ATOM 528 CE1 HIS A 127 11.042 7.060 8.328 1.00 0.00 C ATOM 529 NE2 HIS A 127 12.321 7.234 7.982 1.00 0.00 N ATOM 0 H HIS A 127 10.268 6.216 2.273 1.00 0.00 H new ATOM 0 HA HIS A 127 12.413 5.793 4.234 1.00 0.00 H new ATOM 0 HB2 HIS A 127 10.562 7.640 4.192 1.00 0.00 H new ATOM 0 HB3 HIS A 127 9.483 6.394 4.787 1.00 0.00 H new ATOM 0 HD2 HIS A 127 13.222 7.219 5.977 1.00 0.00 H new ATOM 0 HE1 HIS A 127 10.681 7.082 9.346 1.00 0.00 H new ATOM 0 HE2 HIS A 127 13.113 7.407 8.602 1.00 0.00 H new ATOM 537 N GLN A 128 11.733 3.250 4.216 1.00 0.00 N ATOM 538 CA GLN A 128 11.401 1.855 4.639 1.00 0.00 C ATOM 539 C GLN A 128 10.455 1.219 3.616 1.00 0.00 C ATOM 540 O GLN A 128 10.748 0.185 3.049 1.00 0.00 O ATOM 541 CB GLN A 128 10.746 1.856 6.025 1.00 0.00 C ATOM 542 CG GLN A 128 11.539 2.761 6.975 1.00 0.00 C ATOM 543 CD GLN A 128 13.038 2.499 6.805 1.00 0.00 C ATOM 544 OE1 GLN A 128 13.607 2.798 5.774 1.00 0.00 O ATOM 545 NE2 GLN A 128 13.707 1.949 7.782 1.00 0.00 N ATOM 0 H GLN A 128 12.612 3.343 3.707 1.00 0.00 H new ATOM 0 HA GLN A 128 12.322 1.275 4.691 1.00 0.00 H new ATOM 0 HB2 GLN A 128 9.716 2.206 5.950 1.00 0.00 H new ATOM 0 HB3 GLN A 128 10.710 0.841 6.421 1.00 0.00 H new ATOM 0 HG2 GLN A 128 11.317 3.807 6.766 1.00 0.00 H new ATOM 0 HG3 GLN A 128 11.241 2.572 8.006 1.00 0.00 H new ATOM 0 HE21 GLN A 128 13.231 1.697 8.648 1.00 0.00 H new ATOM 0 HE22 GLN A 128 14.706 1.771 7.679 1.00 0.00 H new ATOM 554 N GLY A 129 9.324 1.823 3.368 1.00 0.00 N ATOM 555 CA GLY A 129 8.376 1.239 2.376 1.00 0.00 C ATOM 556 C GLY A 129 6.997 1.883 2.536 1.00 0.00 C ATOM 557 O GLY A 129 6.634 2.339 3.602 1.00 0.00 O ATOM 0 H GLY A 129 9.017 2.691 3.807 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.748 1.401 1.364 1.00 0.00 H new ATOM 0 HA3 GLY A 129 8.303 0.161 2.520 1.00 0.00 H new ATOM 561 N MET A 130 6.224 1.917 1.485 1.00 0.00 N ATOM 562 CA MET A 130 4.867 2.526 1.579 1.00 0.00 C ATOM 563 C MET A 130 3.859 1.445 1.975 1.00 0.00 C ATOM 564 O MET A 130 3.831 0.374 1.404 1.00 0.00 O ATOM 565 CB MET A 130 4.475 3.115 0.221 1.00 0.00 C ATOM 566 CG MET A 130 5.725 3.649 -0.482 1.00 0.00 C ATOM 567 SD MET A 130 5.310 5.165 -1.380 1.00 0.00 S ATOM 568 CE MET A 130 5.605 6.319 -0.018 1.00 0.00 C ATOM 0 H MET A 130 6.473 1.550 0.567 1.00 0.00 H new ATOM 0 HA MET A 130 4.872 3.318 2.328 1.00 0.00 H new ATOM 0 HB2 MET A 130 3.996 2.353 -0.394 1.00 0.00 H new ATOM 0 HB3 MET A 130 3.750 3.917 0.356 1.00 0.00 H new ATOM 0 HG2 MET A 130 6.509 3.849 0.249 1.00 0.00 H new ATOM 0 HG3 MET A 130 6.116 2.900 -1.171 1.00 0.00 H new ATOM 0 HE1 MET A 130 5.406 7.337 -0.354 1.00 0.00 H new ATOM 0 HE2 MET A 130 4.944 6.076 0.814 1.00 0.00 H new ATOM 0 HE3 MET A 130 6.642 6.240 0.307 1.00 0.00 H new ATOM 578 N LYS A 131 3.039 1.710 2.953 1.00 0.00 N ATOM 579 CA LYS A 131 2.043 0.687 3.384 1.00 0.00 C ATOM 580 C LYS A 131 0.626 1.188 3.104 1.00 0.00 C ATOM 581 O LYS A 131 0.271 2.299 3.442 1.00 0.00 O ATOM 582 CB LYS A 131 2.200 0.428 4.883 1.00 0.00 C ATOM 583 CG LYS A 131 1.439 -0.843 5.264 1.00 0.00 C ATOM 584 CD LYS A 131 1.436 -0.999 6.786 1.00 0.00 C ATOM 585 CE LYS A 131 0.134 -0.432 7.356 1.00 0.00 C ATOM 586 NZ LYS A 131 0.023 -0.795 8.797 1.00 0.00 N ATOM 0 H LYS A 131 3.014 2.588 3.472 1.00 0.00 H new ATOM 0 HA LYS A 131 2.214 -0.235 2.829 1.00 0.00 H new ATOM 0 HB2 LYS A 131 3.255 0.322 5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.819 1.277 5.451 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.416 -0.793 4.891 1.00 0.00 H new ATOM 0 HG3 LYS A 131 1.905 -1.712 4.800 1.00 0.00 H new ATOM 0 HD2 LYS A 131 1.535 -2.051 7.054 1.00 0.00 H new ATOM 0 HD3 LYS A 131 2.291 -0.478 7.217 1.00 0.00 H new ATOM 0 HE2 LYS A 131 0.115 0.652 7.240 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -0.719 -0.826 6.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -0.862 -0.410 9.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 0.022 -1.830 8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 0.831 -0.398 9.318 1.00 0.00 H new ATOM 600 N CYS A 132 -0.187 0.374 2.495 1.00 0.00 N ATOM 601 CA CYS A 132 -1.584 0.800 2.198 1.00 0.00 C ATOM 602 C CYS A 132 -2.409 0.768 3.487 1.00 0.00 C ATOM 603 O CYS A 132 -2.591 -0.269 4.095 1.00 0.00 O ATOM 604 CB CYS A 132 -2.204 -0.151 1.171 1.00 0.00 C ATOM 605 SG CYS A 132 -3.976 0.190 1.023 1.00 0.00 S ATOM 0 H CYS A 132 0.054 -0.569 2.189 1.00 0.00 H new ATOM 0 HA CYS A 132 -1.577 1.812 1.794 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -1.717 -0.026 0.204 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -2.046 -1.185 1.476 1.00 0.00 H new ATOM 0 HG CYS A 132 -4.308 1.131 1.856 1.00 0.00 H new ATOM 610 N SER A 133 -2.907 1.900 3.910 1.00 0.00 N ATOM 611 CA SER A 133 -3.718 1.940 5.162 1.00 0.00 C ATOM 612 C SER A 133 -5.171 1.567 4.852 1.00 0.00 C ATOM 613 O SER A 133 -6.097 2.186 5.336 1.00 0.00 O ATOM 614 CB SER A 133 -3.672 3.350 5.753 1.00 0.00 C ATOM 615 OG SER A 133 -3.468 3.264 7.157 1.00 0.00 O ATOM 0 H SER A 133 -2.787 2.799 3.442 1.00 0.00 H new ATOM 0 HA SER A 133 -3.308 1.228 5.878 1.00 0.00 H new ATOM 0 HB2 SER A 133 -2.869 3.924 5.292 1.00 0.00 H new ATOM 0 HB3 SER A 133 -4.603 3.876 5.541 1.00 0.00 H new ATOM 0 HG SER A 133 -3.436 4.166 7.539 1.00 0.00 H new ATOM 621 N CYS A 134 -5.375 0.557 4.052 1.00 0.00 N ATOM 622 CA CYS A 134 -6.765 0.139 3.715 1.00 0.00 C ATOM 623 C CYS A 134 -6.811 -1.385 3.590 1.00 0.00 C ATOM 624 O CYS A 134 -7.756 -2.024 4.010 1.00 0.00 O ATOM 625 CB CYS A 134 -7.184 0.775 2.387 1.00 0.00 C ATOM 626 SG CYS A 134 -8.321 2.146 2.708 1.00 0.00 S ATOM 0 H CYS A 134 -4.638 0.002 3.617 1.00 0.00 H new ATOM 0 HA CYS A 134 -7.448 0.465 4.500 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -6.306 1.135 1.850 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -7.664 0.032 1.751 1.00 0.00 H new ATOM 0 HG CYS A 134 -8.676 2.688 1.581 1.00 0.00 H new ATOM 632 N CYS A 135 -5.796 -1.971 3.016 1.00 0.00 N ATOM 633 CA CYS A 135 -5.776 -3.452 2.867 1.00 0.00 C ATOM 634 C CYS A 135 -4.429 -3.995 3.350 1.00 0.00 C ATOM 635 O CYS A 135 -4.123 -5.159 3.180 1.00 0.00 O ATOM 636 CB CYS A 135 -5.981 -3.819 1.394 1.00 0.00 C ATOM 637 SG CYS A 135 -4.504 -3.372 0.444 1.00 0.00 S ATOM 0 H CYS A 135 -4.979 -1.487 2.644 1.00 0.00 H new ATOM 0 HA CYS A 135 -6.577 -3.890 3.463 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -6.177 -4.887 1.299 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -6.852 -3.298 0.997 1.00 0.00 H new ATOM 0 HG CYS A 135 -4.253 -2.106 0.602 1.00 0.00 H new ATOM 642 N GLU A 136 -3.618 -3.161 3.947 1.00 0.00 N ATOM 643 CA GLU A 136 -2.291 -3.634 4.435 1.00 0.00 C ATOM 644 C GLU A 136 -1.451 -4.098 3.245 1.00 0.00 C ATOM 645 O GLU A 136 -1.271 -5.278 3.021 1.00 0.00 O ATOM 646 CB GLU A 136 -2.486 -4.797 5.410 1.00 0.00 C ATOM 647 CG GLU A 136 -3.249 -4.307 6.642 1.00 0.00 C ATOM 648 CD GLU A 136 -2.269 -4.093 7.798 1.00 0.00 C ATOM 649 OE1 GLU A 136 -1.275 -4.800 7.843 1.00 0.00 O ATOM 650 OE2 GLU A 136 -2.529 -3.227 8.616 1.00 0.00 O ATOM 0 H GLU A 136 -3.818 -2.175 4.117 1.00 0.00 H new ATOM 0 HA GLU A 136 -1.780 -2.819 4.947 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -3.036 -5.604 4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -1.519 -5.204 5.706 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -3.768 -3.376 6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -4.009 -5.035 6.926 1.00 0.00 H new ATOM 657 N MET A 137 -0.939 -3.176 2.479 1.00 0.00 N ATOM 658 CA MET A 137 -0.113 -3.557 1.300 1.00 0.00 C ATOM 659 C MET A 137 1.271 -2.920 1.421 1.00 0.00 C ATOM 660 O MET A 137 1.541 -2.170 2.338 1.00 0.00 O ATOM 661 CB MET A 137 -0.791 -3.056 0.023 1.00 0.00 C ATOM 662 CG MET A 137 -0.431 -3.974 -1.146 1.00 0.00 C ATOM 663 SD MET A 137 -1.939 -4.431 -2.037 1.00 0.00 S ATOM 664 CE MET A 137 -1.189 -4.617 -3.674 1.00 0.00 C ATOM 0 H MET A 137 -1.057 -2.173 2.619 1.00 0.00 H new ATOM 0 HA MET A 137 -0.013 -4.642 1.261 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.872 -3.032 0.159 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.474 -2.036 -0.192 1.00 0.00 H new ATOM 0 HG2 MET A 137 0.263 -3.470 -1.818 1.00 0.00 H new ATOM 0 HG3 MET A 137 0.073 -4.868 -0.779 1.00 0.00 H new ATOM 0 HE1 MET A 137 -1.955 -4.902 -4.395 1.00 0.00 H new ATOM 0 HE2 MET A 137 -0.739 -3.672 -3.978 1.00 0.00 H new ATOM 0 HE3 MET A 137 -0.420 -5.389 -3.637 1.00 0.00 H new ATOM 674 N ASN A 138 2.149 -3.210 0.502 1.00 0.00 N ATOM 675 CA ASN A 138 3.514 -2.617 0.564 1.00 0.00 C ATOM 676 C ASN A 138 4.061 -2.457 -0.856 1.00 0.00 C ATOM 677 O ASN A 138 3.999 -3.367 -1.659 1.00 0.00 O ATOM 678 CB ASN A 138 4.435 -3.538 1.367 1.00 0.00 C ATOM 679 CG ASN A 138 4.143 -3.375 2.860 1.00 0.00 C ATOM 680 OD1 ASN A 138 4.478 -2.367 3.450 1.00 0.00 O ATOM 681 ND2 ASN A 138 3.529 -4.333 3.500 1.00 0.00 N ATOM 0 H ASN A 138 1.981 -3.832 -0.289 1.00 0.00 H new ATOM 0 HA ASN A 138 3.467 -1.642 1.049 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.282 -4.575 1.067 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.478 -3.297 1.161 1.00 0.00 H new ATOM 0 HD21 ASN A 138 3.330 -4.235 4.496 1.00 0.00 H new ATOM 0 HD22 ASN A 138 3.248 -5.179 3.004 1.00 0.00 H new ATOM 688 N VAL A 139 4.595 -1.309 -1.177 1.00 0.00 N ATOM 689 CA VAL A 139 5.139 -1.102 -2.549 1.00 0.00 C ATOM 690 C VAL A 139 6.160 0.037 -2.536 1.00 0.00 C ATOM 691 O VAL A 139 6.380 0.680 -1.527 1.00 0.00 O ATOM 692 CB VAL A 139 3.996 -0.747 -3.502 1.00 0.00 C ATOM 693 CG1 VAL A 139 3.305 -2.027 -3.974 1.00 0.00 C ATOM 694 CG2 VAL A 139 2.982 0.139 -2.774 1.00 0.00 C ATOM 0 H VAL A 139 4.678 -0.508 -0.550 1.00 0.00 H new ATOM 0 HA VAL A 139 5.625 -2.018 -2.884 1.00 0.00 H new ATOM 0 HB VAL A 139 4.396 -0.212 -4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 139 2.491 -1.772 -4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 139 4.025 -2.659 -4.493 1.00 0.00 H new ATOM 0 HG13 VAL A 139 2.905 -2.563 -3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.167 0.392 -3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 139 2.584 -0.396 -1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 139 3.472 1.053 -2.438 1.00 0.00 H new ATOM 704 N HIS A 140 6.784 0.291 -3.655 1.00 0.00 N ATOM 705 CA HIS A 140 7.791 1.389 -3.721 1.00 0.00 C ATOM 706 C HIS A 140 7.072 2.725 -3.908 1.00 0.00 C ATOM 707 O HIS A 140 5.867 2.815 -3.790 1.00 0.00 O ATOM 708 CB HIS A 140 8.729 1.149 -4.908 1.00 0.00 C ATOM 709 CG HIS A 140 9.750 0.109 -4.542 1.00 0.00 C ATOM 710 ND1 HIS A 140 9.655 -1.206 -4.972 1.00 0.00 N ATOM 711 CD2 HIS A 140 10.894 0.173 -3.784 1.00 0.00 C ATOM 712 CE1 HIS A 140 10.712 -1.873 -4.473 1.00 0.00 C ATOM 713 NE2 HIS A 140 11.499 -1.079 -3.742 1.00 0.00 N ATOM 0 H HIS A 140 6.639 -0.216 -4.528 1.00 0.00 H new ATOM 0 HA HIS A 140 8.369 1.410 -2.797 1.00 0.00 H new ATOM 0 HB2 HIS A 140 8.157 0.822 -5.776 1.00 0.00 H new ATOM 0 HB3 HIS A 140 9.226 2.079 -5.186 1.00 0.00 H new ATOM 0 HD1 HIS A 140 8.918 -1.597 -5.559 1.00 0.00 H new ATOM 0 HD2 HIS A 140 11.267 1.061 -3.295 1.00 0.00 H new ATOM 0 HE1 HIS A 140 10.901 -2.923 -4.643 1.00 0.00 H new ATOM 720 N ARG A 141 7.802 3.766 -4.207 1.00 0.00 N ATOM 721 CA ARG A 141 7.163 5.092 -4.408 1.00 0.00 C ATOM 722 C ARG A 141 6.873 5.287 -5.899 1.00 0.00 C ATOM 723 O ARG A 141 6.040 6.085 -6.282 1.00 0.00 O ATOM 724 CB ARG A 141 8.110 6.190 -3.914 1.00 0.00 C ATOM 725 CG ARG A 141 7.658 7.545 -4.459 1.00 0.00 C ATOM 726 CD ARG A 141 7.797 8.608 -3.368 1.00 0.00 C ATOM 727 NE ARG A 141 7.538 9.955 -3.952 1.00 0.00 N ATOM 728 CZ ARG A 141 6.947 10.872 -3.237 1.00 0.00 C ATOM 729 NH1 ARG A 141 7.637 11.579 -2.384 1.00 0.00 N ATOM 730 NH2 ARG A 141 5.666 11.083 -3.375 1.00 0.00 N ATOM 0 H ARG A 141 8.816 3.752 -4.320 1.00 0.00 H new ATOM 0 HA ARG A 141 6.230 5.145 -3.848 1.00 0.00 H new ATOM 0 HB2 ARG A 141 8.121 6.211 -2.824 1.00 0.00 H new ATOM 0 HB3 ARG A 141 9.129 5.978 -4.239 1.00 0.00 H new ATOM 0 HG2 ARG A 141 8.259 7.819 -5.326 1.00 0.00 H new ATOM 0 HG3 ARG A 141 6.623 7.487 -4.794 1.00 0.00 H new ATOM 0 HD2 ARG A 141 7.094 8.409 -2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 141 8.797 8.573 -2.936 1.00 0.00 H new ATOM 0 HE ARG A 141 7.823 10.159 -4.910 1.00 0.00 H new ATOM 0 HH11 ARG A 141 8.638 11.414 -2.277 1.00 0.00 H new ATOM 0 HH12 ARG A 141 7.175 12.296 -1.825 1.00 0.00 H new ATOM 0 HH21 ARG A 141 5.127 10.531 -4.042 1.00 0.00 H new ATOM 0 HH22 ARG A 141 5.204 11.800 -2.816 1.00 0.00 H new ATOM 744 N ARG A 142 7.555 4.561 -6.743 1.00 0.00 N ATOM 745 CA ARG A 142 7.321 4.700 -8.207 1.00 0.00 C ATOM 746 C ARG A 142 6.544 3.485 -8.720 1.00 0.00 C ATOM 747 O ARG A 142 6.185 3.411 -9.878 1.00 0.00 O ATOM 748 CB ARG A 142 8.665 4.789 -8.931 1.00 0.00 C ATOM 749 CG ARG A 142 9.576 5.775 -8.198 1.00 0.00 C ATOM 750 CD ARG A 142 9.912 6.946 -9.123 1.00 0.00 C ATOM 751 NE ARG A 142 10.349 8.114 -8.307 1.00 0.00 N ATOM 752 CZ ARG A 142 11.615 8.284 -8.038 1.00 0.00 C ATOM 753 NH1 ARG A 142 12.467 8.481 -9.006 1.00 0.00 N ATOM 754 NH2 ARG A 142 12.027 8.257 -6.800 1.00 0.00 N ATOM 0 H ARG A 142 8.265 3.877 -6.480 1.00 0.00 H new ATOM 0 HA ARG A 142 6.744 5.605 -8.398 1.00 0.00 H new ATOM 0 HB2 ARG A 142 9.134 3.806 -8.972 1.00 0.00 H new ATOM 0 HB3 ARG A 142 8.514 5.113 -9.961 1.00 0.00 H new ATOM 0 HG2 ARG A 142 9.084 6.140 -7.297 1.00 0.00 H new ATOM 0 HG3 ARG A 142 10.491 5.274 -7.881 1.00 0.00 H new ATOM 0 HD2 ARG A 142 10.701 6.659 -9.819 1.00 0.00 H new ATOM 0 HD3 ARG A 142 9.041 7.212 -9.721 1.00 0.00 H new ATOM 0 HE ARG A 142 9.659 8.780 -7.959 1.00 0.00 H new ATOM 0 HH11 ARG A 142 12.144 8.502 -9.973 1.00 0.00 H new ATOM 0 HH12 ARG A 142 13.456 8.614 -8.796 1.00 0.00 H new ATOM 0 HH21 ARG A 142 11.360 8.103 -6.044 1.00 0.00 H new ATOM 0 HH22 ARG A 142 13.016 8.390 -6.589 1.00 0.00 H new ATOM 768 N CYS A 143 6.283 2.531 -7.868 1.00 0.00 N ATOM 769 CA CYS A 143 5.529 1.324 -8.309 1.00 0.00 C ATOM 770 C CYS A 143 4.029 1.565 -8.119 1.00 0.00 C ATOM 771 O CYS A 143 3.204 0.805 -8.588 1.00 0.00 O ATOM 772 CB CYS A 143 5.961 0.118 -7.473 1.00 0.00 C ATOM 773 SG CYS A 143 7.648 -0.358 -7.926 1.00 0.00 S ATOM 0 H CYS A 143 6.559 2.536 -6.886 1.00 0.00 H new ATOM 0 HA CYS A 143 5.737 1.129 -9.361 1.00 0.00 H new ATOM 0 HB2 CYS A 143 5.913 0.362 -6.412 1.00 0.00 H new ATOM 0 HB3 CYS A 143 5.279 -0.716 -7.639 1.00 0.00 H new ATOM 0 HG CYS A 143 7.940 -1.499 -7.375 1.00 0.00 H new ATOM 778 N VAL A 144 3.670 2.615 -7.433 1.00 0.00 N ATOM 779 CA VAL A 144 2.225 2.905 -7.212 1.00 0.00 C ATOM 780 C VAL A 144 1.582 3.348 -8.528 1.00 0.00 C ATOM 781 O VAL A 144 0.427 3.078 -8.787 1.00 0.00 O ATOM 782 CB VAL A 144 2.085 4.023 -6.178 1.00 0.00 C ATOM 783 CG1 VAL A 144 0.636 4.094 -5.692 1.00 0.00 C ATOM 784 CG2 VAL A 144 3.006 3.736 -4.990 1.00 0.00 C ATOM 0 H VAL A 144 4.316 3.285 -7.016 1.00 0.00 H new ATOM 0 HA VAL A 144 1.726 2.006 -6.850 1.00 0.00 H new ATOM 0 HB VAL A 144 2.362 4.974 -6.633 1.00 0.00 H new ATOM 0 HG11 VAL A 144 0.538 4.891 -4.955 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -0.022 4.298 -6.537 1.00 0.00 H new ATOM 0 HG13 VAL A 144 0.358 3.143 -5.237 1.00 0.00 H new ATOM 0 HG21 VAL A 144 2.907 4.532 -4.252 1.00 0.00 H new ATOM 0 HG22 VAL A 144 2.729 2.784 -4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 144 4.039 3.687 -5.334 1.00 0.00 H new ATOM 794 N ARG A 145 2.322 4.027 -9.363 1.00 0.00 N ATOM 795 CA ARG A 145 1.749 4.485 -10.660 1.00 0.00 C ATOM 796 C ARG A 145 1.319 3.273 -11.487 1.00 0.00 C ATOM 797 O ARG A 145 0.603 3.395 -12.461 1.00 0.00 O ATOM 798 CB ARG A 145 2.805 5.281 -11.433 1.00 0.00 C ATOM 799 CG ARG A 145 2.145 6.483 -12.110 1.00 0.00 C ATOM 800 CD ARG A 145 2.542 6.521 -13.587 1.00 0.00 C ATOM 801 NE ARG A 145 1.512 7.271 -14.359 1.00 0.00 N ATOM 802 CZ ARG A 145 1.305 8.537 -14.116 1.00 0.00 C ATOM 803 NH1 ARG A 145 2.315 9.357 -14.027 1.00 0.00 N ATOM 804 NH2 ARG A 145 0.088 8.981 -13.961 1.00 0.00 N ATOM 0 H ARG A 145 3.296 4.283 -9.203 1.00 0.00 H new ATOM 0 HA ARG A 145 0.883 5.119 -10.469 1.00 0.00 H new ATOM 0 HB2 ARG A 145 3.590 5.618 -10.756 1.00 0.00 H new ATOM 0 HB3 ARG A 145 3.280 4.645 -12.180 1.00 0.00 H new ATOM 0 HG2 ARG A 145 1.061 6.417 -12.016 1.00 0.00 H new ATOM 0 HG3 ARG A 145 2.452 7.405 -11.617 1.00 0.00 H new ATOM 0 HD2 ARG A 145 3.516 6.998 -13.701 1.00 0.00 H new ATOM 0 HD3 ARG A 145 2.636 5.507 -13.975 1.00 0.00 H new ATOM 0 HE ARG A 145 0.968 6.795 -15.078 1.00 0.00 H new ATOM 0 HH11 ARG A 145 3.266 9.009 -14.147 1.00 0.00 H new ATOM 0 HH12 ARG A 145 2.154 10.346 -13.837 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -0.702 8.339 -14.030 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -0.074 9.970 -13.771 1.00 0.00 H new ATOM 818 N SER A 146 1.750 2.102 -11.106 1.00 0.00 N ATOM 819 CA SER A 146 1.364 0.882 -11.870 1.00 0.00 C ATOM 820 C SER A 146 0.147 0.232 -11.210 1.00 0.00 C ATOM 821 O SER A 146 -0.681 -0.368 -11.865 1.00 0.00 O ATOM 822 CB SER A 146 2.531 -0.107 -11.874 1.00 0.00 C ATOM 823 OG SER A 146 3.736 0.592 -12.156 1.00 0.00 O ATOM 0 H SER A 146 2.352 1.937 -10.299 1.00 0.00 H new ATOM 0 HA SER A 146 1.118 1.157 -12.895 1.00 0.00 H new ATOM 0 HB2 SER A 146 2.604 -0.606 -10.908 1.00 0.00 H new ATOM 0 HB3 SER A 146 2.363 -0.883 -12.621 1.00 0.00 H new ATOM 0 HG SER A 146 4.499 -0.014 -12.047 1.00 0.00 H new ATOM 829 N VAL A 147 0.032 0.350 -9.916 1.00 0.00 N ATOM 830 CA VAL A 147 -1.131 -0.259 -9.212 1.00 0.00 C ATOM 831 C VAL A 147 -2.432 0.228 -9.866 1.00 0.00 C ATOM 832 O VAL A 147 -2.636 1.417 -10.010 1.00 0.00 O ATOM 833 CB VAL A 147 -1.109 0.166 -7.742 1.00 0.00 C ATOM 834 CG1 VAL A 147 -2.198 -0.583 -6.972 1.00 0.00 C ATOM 835 CG2 VAL A 147 0.258 -0.165 -7.139 1.00 0.00 C ATOM 0 H VAL A 147 0.694 0.842 -9.316 1.00 0.00 H new ATOM 0 HA VAL A 147 -1.074 -1.345 -9.279 1.00 0.00 H new ATOM 0 HB VAL A 147 -1.291 1.238 -7.673 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -2.179 -0.278 -5.926 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -3.173 -0.350 -7.401 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -2.019 -1.656 -7.040 1.00 0.00 H new ATOM 0 HG21 VAL A 147 0.276 0.137 -6.092 1.00 0.00 H new ATOM 0 HG22 VAL A 147 0.437 -1.238 -7.211 1.00 0.00 H new ATOM 0 HG23 VAL A 147 1.035 0.370 -7.684 1.00 0.00 H new ATOM 845 N PRO A 148 -3.276 -0.702 -10.242 1.00 0.00 N ATOM 846 CA PRO A 148 -4.565 -0.386 -10.884 1.00 0.00 C ATOM 847 C PRO A 148 -5.584 0.072 -9.838 1.00 0.00 C ATOM 848 O PRO A 148 -6.737 0.306 -10.141 1.00 0.00 O ATOM 849 CB PRO A 148 -4.988 -1.715 -11.517 1.00 0.00 C ATOM 850 CG PRO A 148 -4.235 -2.824 -10.745 1.00 0.00 C ATOM 851 CD PRO A 148 -3.028 -2.148 -10.067 1.00 0.00 C ATOM 0 HA PRO A 148 -4.495 0.422 -11.612 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -6.067 -1.854 -11.444 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -4.735 -1.739 -12.577 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -4.885 -3.290 -10.004 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -3.907 -3.613 -11.422 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -2.962 -2.416 -9.012 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -2.090 -2.450 -10.532 1.00 0.00 H new ATOM 859 N SER A 149 -5.168 0.205 -8.608 1.00 0.00 N ATOM 860 CA SER A 149 -6.111 0.651 -7.545 1.00 0.00 C ATOM 861 C SER A 149 -7.073 -0.489 -7.201 1.00 0.00 C ATOM 862 O SER A 149 -8.253 -0.279 -7.002 1.00 0.00 O ATOM 863 CB SER A 149 -6.908 1.856 -8.044 1.00 0.00 C ATOM 864 OG SER A 149 -6.127 2.576 -8.989 1.00 0.00 O ATOM 0 H SER A 149 -4.215 0.024 -8.294 1.00 0.00 H new ATOM 0 HA SER A 149 -5.547 0.930 -6.655 1.00 0.00 H new ATOM 0 HB2 SER A 149 -7.841 1.526 -8.502 1.00 0.00 H new ATOM 0 HB3 SER A 149 -7.175 2.502 -7.208 1.00 0.00 H new ATOM 0 HG SER A 149 -6.635 3.349 -9.313 1.00 0.00 H new ATOM 870 N LEU A 150 -6.579 -1.694 -7.128 1.00 0.00 N ATOM 871 CA LEU A 150 -7.467 -2.844 -6.796 1.00 0.00 C ATOM 872 C LEU A 150 -7.520 -3.022 -5.277 1.00 0.00 C ATOM 873 O LEU A 150 -7.378 -4.116 -4.765 1.00 0.00 O ATOM 874 CB LEU A 150 -6.916 -4.117 -7.441 1.00 0.00 C ATOM 875 CG LEU A 150 -8.007 -4.774 -8.288 1.00 0.00 C ATOM 876 CD1 LEU A 150 -7.799 -4.411 -9.759 1.00 0.00 C ATOM 877 CD2 LEU A 150 -7.934 -6.293 -8.123 1.00 0.00 C ATOM 0 H LEU A 150 -5.600 -1.932 -7.284 1.00 0.00 H new ATOM 0 HA LEU A 150 -8.471 -2.651 -7.175 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -6.053 -3.878 -8.062 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.573 -4.808 -6.671 1.00 0.00 H new ATOM 0 HG LEU A 150 -8.984 -4.419 -7.961 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -8.576 -4.879 -10.363 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -7.850 -3.329 -9.877 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -6.822 -4.766 -10.087 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -8.711 -6.762 -8.726 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -6.957 -6.648 -8.450 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -8.082 -6.553 -7.075 1.00 0.00 H new ATOM 889 N CYS A 151 -7.725 -1.956 -4.552 1.00 0.00 N ATOM 890 CA CYS A 151 -7.786 -2.065 -3.067 1.00 0.00 C ATOM 891 C CYS A 151 -9.187 -2.513 -2.646 1.00 0.00 C ATOM 892 O CYS A 151 -10.115 -1.731 -2.612 1.00 0.00 O ATOM 893 CB CYS A 151 -7.476 -0.704 -2.442 1.00 0.00 C ATOM 894 SG CYS A 151 -7.119 -0.915 -0.681 1.00 0.00 S ATOM 0 H CYS A 151 -7.853 -1.015 -4.924 1.00 0.00 H new ATOM 0 HA CYS A 151 -7.053 -2.796 -2.726 1.00 0.00 H new ATOM 0 HB2 CYS A 151 -6.623 -0.247 -2.944 1.00 0.00 H new ATOM 0 HB3 CYS A 151 -8.323 -0.030 -2.574 1.00 0.00 H new ATOM 0 HG CYS A 151 -6.283 -1.898 -0.522 1.00 0.00 H new