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 102 HIS : no HE2:sc= -4.29! C(o=-2.8!,f=-7.8!) USER MOD Set 1.2: A 132 CYS SG : rot -14:sc= 1.47 USER MOD Set 1.3: A 134 CYS SG : rot -118:sc= 0.0125 USER MOD Set 1.4: A 135 CYS SG : rot -73:sc= -0.207! USER MOD Set 1.5: A 151 CYS SG : rot 51:sc= 0.188 USER MOD Set 2.1: A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 133 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 108 SER OG : rot -58:sc= 0.911 USER MOD Set 3.2: A 127 HIS : no HD1:sc= -7.15! C(o=-25!,f=-30!) USER MOD Set 3.3: A 128 GLN : amide:sc= -18.6! C(o=-25!,f=-34!) USER MOD Set 4.1: A 115 CYS SG : rot 153:sc= -0.171! USER MOD Set 4.2: A 118 CYS SG : rot -61:sc= -5.31! USER MOD Set 4.3: A 120 SER OG : rot 180:sc= -0.0136 USER MOD Set 4.4: A 140 HIS : no HD1:sc= -16.3! C(o=-23!,f=-26!) USER MOD Set 4.5: A 143 CYS SG : rot 145:sc= -1.54! USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 TYR OH : rot 60:sc= -2.36! USER MOD Single : A 110 SER OG : rot 180:sc= -0.709 USER MOD Single : A 111 SER OG : rot 180:sc= -1.68! USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.0578 X(o=-0.058,f=-0.19) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 MET CE :methyl 153:sc= -0.668 (180deg=-1.55!) USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 ASN : amide:sc= -0.169 K(o=-0.17,f=-3.8!) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 149 SER OG : rot -76:sc= 0.0378 USER MOD ----------------------------------------------------------------- ATOM 132 N HIS A 102 -5.519 3.381 -3.189 1.00 0.00 N ATOM 133 CA HIS A 102 -4.902 2.752 -1.987 1.00 0.00 C ATOM 134 C HIS A 102 -4.568 3.841 -0.966 1.00 0.00 C ATOM 135 O HIS A 102 -4.254 4.960 -1.320 1.00 0.00 O ATOM 136 CB HIS A 102 -3.605 2.038 -2.381 1.00 0.00 C ATOM 137 CG HIS A 102 -3.904 0.884 -3.297 1.00 0.00 C ATOM 138 ND1 HIS A 102 -4.383 -0.331 -2.830 1.00 0.00 N ATOM 139 CD2 HIS A 102 -3.779 0.739 -4.657 1.00 0.00 C ATOM 140 CE1 HIS A 102 -4.523 -1.147 -3.891 1.00 0.00 C ATOM 141 NE2 HIS A 102 -4.170 -0.543 -5.029 1.00 0.00 N ATOM 0 HA HIS A 102 -5.602 2.034 -1.561 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -2.932 2.738 -2.875 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -3.093 1.679 -1.488 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -4.591 -0.564 -1.859 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -3.430 1.504 -5.335 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -4.877 -2.165 -3.830 1.00 0.00 H new ATOM 148 N LYS A 103 -4.613 3.521 0.297 1.00 0.00 N ATOM 149 CA LYS A 103 -4.276 4.536 1.332 1.00 0.00 C ATOM 150 C LYS A 103 -2.775 4.465 1.615 1.00 0.00 C ATOM 151 O LYS A 103 -2.338 4.531 2.746 1.00 0.00 O ATOM 152 CB LYS A 103 -5.056 4.242 2.616 1.00 0.00 C ATOM 153 CG LYS A 103 -6.351 5.055 2.626 1.00 0.00 C ATOM 154 CD LYS A 103 -6.434 5.869 3.918 1.00 0.00 C ATOM 155 CE LYS A 103 -7.313 7.101 3.692 1.00 0.00 C ATOM 156 NZ LYS A 103 -8.346 7.177 4.764 1.00 0.00 N ATOM 0 H LYS A 103 -4.868 2.601 0.657 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.542 5.532 0.977 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.282 3.178 2.681 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.450 4.493 3.487 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.382 5.720 1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.211 4.390 2.547 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.847 5.257 4.720 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.436 6.174 4.232 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.701 8.003 3.697 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.791 7.045 2.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.944 8.014 4.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.936 6.321 4.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.880 7.249 5.691 1.00 0.00 H new ATOM 170 N PHE A 104 -1.986 4.318 0.584 1.00 0.00 N ATOM 171 CA PHE A 104 -0.508 4.223 0.763 1.00 0.00 C ATOM 172 C PHE A 104 -0.038 5.204 1.838 1.00 0.00 C ATOM 173 O PHE A 104 -0.424 6.357 1.857 1.00 0.00 O ATOM 174 CB PHE A 104 0.185 4.558 -0.560 1.00 0.00 C ATOM 175 CG PHE A 104 0.109 3.368 -1.487 1.00 0.00 C ATOM 176 CD1 PHE A 104 0.555 2.113 -1.053 1.00 0.00 C ATOM 177 CD2 PHE A 104 -0.403 3.521 -2.782 1.00 0.00 C ATOM 178 CE1 PHE A 104 0.488 1.010 -1.913 1.00 0.00 C ATOM 179 CE2 PHE A 104 -0.468 2.418 -3.644 1.00 0.00 C ATOM 180 CZ PHE A 104 -0.024 1.163 -3.209 1.00 0.00 C ATOM 0 H PHE A 104 -2.305 4.259 -0.383 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.255 3.209 1.072 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.290 5.423 -1.022 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.226 4.825 -0.379 1.00 0.00 H new ATOM 0 HD1 PHE A 104 0.951 1.996 -0.055 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.747 4.489 -3.116 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.831 0.042 -1.578 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -0.860 2.536 -4.643 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.076 0.312 -3.872 1.00 0.00 H new ATOM 190 N ARG A 105 0.802 4.752 2.728 1.00 0.00 N ATOM 191 CA ARG A 105 1.316 5.647 3.801 1.00 0.00 C ATOM 192 C ARG A 105 2.718 5.186 4.203 1.00 0.00 C ATOM 193 O ARG A 105 2.878 4.233 4.941 1.00 0.00 O ATOM 194 CB ARG A 105 0.387 5.573 5.016 1.00 0.00 C ATOM 195 CG ARG A 105 0.248 6.963 5.642 1.00 0.00 C ATOM 196 CD ARG A 105 -1.195 7.451 5.490 1.00 0.00 C ATOM 197 NE ARG A 105 -1.782 7.692 6.838 1.00 0.00 N ATOM 198 CZ ARG A 105 -2.228 8.878 7.153 1.00 0.00 C ATOM 199 NH1 ARG A 105 -1.404 9.886 7.224 1.00 0.00 N ATOM 200 NH2 ARG A 105 -3.498 9.054 7.397 1.00 0.00 N ATOM 0 H ARG A 105 1.156 3.796 2.758 1.00 0.00 H new ATOM 0 HA ARG A 105 1.354 6.674 3.438 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -0.592 5.199 4.716 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.785 4.871 5.749 1.00 0.00 H new ATOM 0 HG2 ARG A 105 0.522 6.927 6.696 1.00 0.00 H new ATOM 0 HG3 ARG A 105 0.932 7.661 5.159 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -1.220 8.368 4.901 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.786 6.710 4.951 1.00 0.00 H new ATOM 0 HE ARG A 105 -1.835 6.931 7.515 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -0.412 9.748 7.033 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.752 10.813 7.470 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -4.142 8.265 7.342 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -3.846 9.981 7.643 1.00 0.00 H new ATOM 214 N LEU A 106 3.739 5.846 3.725 1.00 0.00 N ATOM 215 CA LEU A 106 5.118 5.429 4.091 1.00 0.00 C ATOM 216 C LEU A 106 5.221 5.356 5.614 1.00 0.00 C ATOM 217 O LEU A 106 4.961 6.316 6.313 1.00 0.00 O ATOM 218 CB LEU A 106 6.130 6.437 3.535 1.00 0.00 C ATOM 219 CG LEU A 106 6.085 7.725 4.353 1.00 0.00 C ATOM 220 CD1 LEU A 106 7.045 8.749 3.744 1.00 0.00 C ATOM 221 CD2 LEU A 106 4.666 8.292 4.343 1.00 0.00 C ATOM 0 H LEU A 106 3.676 6.650 3.101 1.00 0.00 H new ATOM 0 HA LEU A 106 5.338 4.450 3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.133 6.012 3.565 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.906 6.652 2.490 1.00 0.00 H new ATOM 0 HG LEU A 106 6.382 7.510 5.380 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.014 9.669 4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.059 8.348 3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.748 8.960 2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.637 9.211 4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.367 8.505 3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.980 7.564 4.777 1.00 0.00 H new ATOM 233 N HIS A 107 5.577 4.216 6.136 1.00 0.00 N ATOM 234 CA HIS A 107 5.672 4.075 7.617 1.00 0.00 C ATOM 235 C HIS A 107 7.118 3.792 8.029 1.00 0.00 C ATOM 236 O HIS A 107 7.942 3.411 7.222 1.00 0.00 O ATOM 237 CB HIS A 107 4.777 2.922 8.073 1.00 0.00 C ATOM 238 CG HIS A 107 3.668 3.457 8.935 1.00 0.00 C ATOM 239 ND1 HIS A 107 2.388 3.668 8.444 1.00 0.00 N ATOM 240 CD2 HIS A 107 3.630 3.829 10.255 1.00 0.00 C ATOM 241 CE1 HIS A 107 1.641 4.147 9.456 1.00 0.00 C ATOM 242 NE2 HIS A 107 2.349 4.265 10.582 1.00 0.00 N ATOM 0 H HIS A 107 5.806 3.377 5.603 1.00 0.00 H new ATOM 0 HA HIS A 107 5.346 5.004 8.086 1.00 0.00 H new ATOM 0 HB2 HIS A 107 4.362 2.406 7.207 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.363 2.191 8.629 1.00 0.00 H new ATOM 0 HD2 HIS A 107 4.467 3.790 10.937 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.596 4.405 9.368 1.00 0.00 H new ATOM 0 HE2 HIS A 107 2.022 4.602 11.487 1.00 0.00 H new ATOM 250 N SER A 108 7.429 3.978 9.285 1.00 0.00 N ATOM 251 CA SER A 108 8.818 3.724 9.760 1.00 0.00 C ATOM 252 C SER A 108 8.826 2.528 10.716 1.00 0.00 C ATOM 253 O SER A 108 8.150 2.524 11.726 1.00 0.00 O ATOM 254 CB SER A 108 9.336 4.961 10.497 1.00 0.00 C ATOM 255 OG SER A 108 8.766 6.126 9.915 1.00 0.00 O ATOM 0 H SER A 108 6.778 4.296 10.003 1.00 0.00 H new ATOM 0 HA SER A 108 9.458 3.509 8.904 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.077 4.904 11.554 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.423 5.005 10.438 1.00 0.00 H new ATOM 0 HG SER A 108 8.992 6.160 8.962 1.00 0.00 H new ATOM 261 N TYR A 109 9.591 1.515 10.409 1.00 0.00 N ATOM 262 CA TYR A 109 9.647 0.323 11.303 1.00 0.00 C ATOM 263 C TYR A 109 11.100 0.085 11.718 1.00 0.00 C ATOM 264 O TYR A 109 11.384 -0.311 12.831 1.00 0.00 O ATOM 265 CB TYR A 109 9.128 -0.912 10.558 1.00 0.00 C ATOM 266 CG TYR A 109 8.110 -0.500 9.522 1.00 0.00 C ATOM 267 CD1 TYR A 109 8.537 -0.022 8.276 1.00 0.00 C ATOM 268 CD2 TYR A 109 6.740 -0.598 9.802 1.00 0.00 C ATOM 269 CE1 TYR A 109 7.596 0.357 7.311 1.00 0.00 C ATOM 270 CE2 TYR A 109 5.799 -0.218 8.836 1.00 0.00 C ATOM 271 CZ TYR A 109 6.227 0.258 7.590 1.00 0.00 C ATOM 272 OH TYR A 109 5.300 0.632 6.639 1.00 0.00 O ATOM 0 H TYR A 109 10.180 1.462 9.578 1.00 0.00 H new ATOM 0 HA TYR A 109 9.027 0.498 12.183 1.00 0.00 H new ATOM 0 HB2 TYR A 109 9.957 -1.433 10.078 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.679 -1.610 11.264 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.592 0.054 8.060 1.00 0.00 H new ATOM 0 HD2 TYR A 109 6.410 -0.966 10.762 1.00 0.00 H new ATOM 0 HE1 TYR A 109 7.926 0.726 6.351 1.00 0.00 H new ATOM 0 HE2 TYR A 109 4.743 -0.292 9.052 1.00 0.00 H new ATOM 0 HH TYR A 109 5.418 0.085 5.834 1.00 0.00 H new ATOM 282 N SER A 110 12.017 0.325 10.822 1.00 0.00 N ATOM 283 CA SER A 110 13.460 0.119 11.135 1.00 0.00 C ATOM 284 C SER A 110 14.232 -0.010 9.822 1.00 0.00 C ATOM 285 O SER A 110 15.415 0.256 9.749 1.00 0.00 O ATOM 286 CB SER A 110 13.635 -1.161 11.954 1.00 0.00 C ATOM 287 OG SER A 110 12.697 -2.133 11.511 1.00 0.00 O ATOM 0 H SER A 110 11.827 0.658 9.877 1.00 0.00 H new ATOM 0 HA SER A 110 13.836 0.964 11.711 1.00 0.00 H new ATOM 0 HB2 SER A 110 14.650 -1.542 11.843 1.00 0.00 H new ATOM 0 HB3 SER A 110 13.487 -0.952 13.013 1.00 0.00 H new ATOM 0 HG SER A 110 12.807 -2.955 12.033 1.00 0.00 H new ATOM 293 N SER A 111 13.558 -0.418 8.781 1.00 0.00 N ATOM 294 CA SER A 111 14.227 -0.572 7.460 1.00 0.00 C ATOM 295 C SER A 111 13.144 -0.711 6.387 1.00 0.00 C ATOM 296 O SER A 111 11.979 -0.834 6.707 1.00 0.00 O ATOM 297 CB SER A 111 15.101 -1.826 7.483 1.00 0.00 C ATOM 298 OG SER A 111 15.550 -2.059 8.811 1.00 0.00 O ATOM 0 H SER A 111 12.565 -0.653 8.791 1.00 0.00 H new ATOM 0 HA SER A 111 14.854 0.293 7.244 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.535 -2.685 7.122 1.00 0.00 H new ATOM 0 HB3 SER A 111 15.953 -1.702 6.815 1.00 0.00 H new ATOM 0 HG SER A 111 16.110 -2.863 8.831 1.00 0.00 H new ATOM 304 N PRO A 112 13.552 -0.690 5.147 1.00 0.00 N ATOM 305 CA PRO A 112 12.621 -0.812 4.015 1.00 0.00 C ATOM 306 C PRO A 112 12.184 -2.269 3.839 1.00 0.00 C ATOM 307 O PRO A 112 12.989 -3.180 3.864 1.00 0.00 O ATOM 308 CB PRO A 112 13.439 -0.321 2.818 1.00 0.00 C ATOM 309 CG PRO A 112 14.927 -0.472 3.215 1.00 0.00 C ATOM 310 CD PRO A 112 14.969 -0.543 4.754 1.00 0.00 C ATOM 0 HA PRO A 112 11.702 -0.241 4.148 1.00 0.00 H new ATOM 0 HB2 PRO A 112 13.213 -0.907 1.927 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.202 0.717 2.585 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.356 -1.372 2.774 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.513 0.372 2.850 1.00 0.00 H new ATOM 0 HD2 PRO A 112 15.568 -1.387 5.098 1.00 0.00 H new ATOM 0 HD3 PRO A 112 15.410 0.357 5.183 1.00 0.00 H new ATOM 318 N THR A 113 10.909 -2.494 3.669 1.00 0.00 N ATOM 319 CA THR A 113 10.409 -3.886 3.499 1.00 0.00 C ATOM 320 C THR A 113 10.427 -4.253 2.019 1.00 0.00 C ATOM 321 O THR A 113 10.802 -3.463 1.178 1.00 0.00 O ATOM 322 CB THR A 113 8.976 -3.979 4.028 1.00 0.00 C ATOM 323 OG1 THR A 113 8.811 -3.067 5.105 1.00 0.00 O ATOM 324 CG2 THR A 113 8.702 -5.402 4.516 1.00 0.00 C ATOM 0 H THR A 113 10.191 -1.770 3.641 1.00 0.00 H new ATOM 0 HA THR A 113 11.048 -4.574 4.053 1.00 0.00 H new ATOM 0 HB THR A 113 8.277 -3.730 3.230 1.00 0.00 H new ATOM 0 HG1 THR A 113 7.893 -3.124 5.444 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.681 -5.467 4.893 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.829 -6.101 3.689 1.00 0.00 H new ATOM 0 HG23 THR A 113 9.400 -5.654 5.314 1.00 0.00 H new ATOM 332 N PHE A 114 10.032 -5.448 1.697 1.00 0.00 N ATOM 333 CA PHE A 114 10.037 -5.871 0.270 1.00 0.00 C ATOM 334 C PHE A 114 8.812 -5.293 -0.441 1.00 0.00 C ATOM 335 O PHE A 114 7.902 -4.781 0.180 1.00 0.00 O ATOM 336 CB PHE A 114 9.995 -7.398 0.189 1.00 0.00 C ATOM 337 CG PHE A 114 11.401 -7.948 0.196 1.00 0.00 C ATOM 338 CD1 PHE A 114 12.059 -8.174 1.412 1.00 0.00 C ATOM 339 CD2 PHE A 114 12.047 -8.236 -1.014 1.00 0.00 C ATOM 340 CE1 PHE A 114 13.363 -8.687 1.419 1.00 0.00 C ATOM 341 CE2 PHE A 114 13.351 -8.748 -1.008 1.00 0.00 C ATOM 342 CZ PHE A 114 14.010 -8.975 0.209 1.00 0.00 C ATOM 0 H PHE A 114 9.705 -6.152 2.359 1.00 0.00 H new ATOM 0 HA PHE A 114 10.944 -5.504 -0.211 1.00 0.00 H new ATOM 0 HB2 PHE A 114 9.433 -7.801 1.031 1.00 0.00 H new ATOM 0 HB3 PHE A 114 9.477 -7.709 -0.718 1.00 0.00 H new ATOM 0 HD1 PHE A 114 11.561 -7.953 2.344 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.539 -8.063 -1.951 1.00 0.00 H new ATOM 0 HE1 PHE A 114 13.870 -8.861 2.357 1.00 0.00 H new ATOM 0 HE2 PHE A 114 13.849 -8.968 -1.941 1.00 0.00 H new ATOM 0 HZ PHE A 114 15.015 -9.371 0.214 1.00 0.00 H new ATOM 352 N CYS A 115 8.789 -5.367 -1.742 1.00 0.00 N ATOM 353 CA CYS A 115 7.635 -4.818 -2.506 1.00 0.00 C ATOM 354 C CYS A 115 6.765 -5.971 -3.012 1.00 0.00 C ATOM 355 O CYS A 115 7.256 -7.019 -3.383 1.00 0.00 O ATOM 356 CB CYS A 115 8.168 -4.004 -3.682 1.00 0.00 C ATOM 357 SG CYS A 115 6.801 -3.307 -4.636 1.00 0.00 S ATOM 0 H CYS A 115 9.524 -5.786 -2.312 1.00 0.00 H new ATOM 0 HA CYS A 115 7.030 -4.177 -1.866 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.811 -3.203 -3.317 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.781 -4.637 -4.323 1.00 0.00 H new ATOM 0 HG CYS A 115 7.196 -2.220 -5.230 1.00 0.00 H new ATOM 362 N ASP A 116 5.476 -5.786 -3.018 1.00 0.00 N ATOM 363 CA ASP A 116 4.564 -6.872 -3.485 1.00 0.00 C ATOM 364 C ASP A 116 4.263 -6.701 -4.976 1.00 0.00 C ATOM 365 O ASP A 116 3.801 -7.613 -5.633 1.00 0.00 O ATOM 366 CB ASP A 116 3.255 -6.810 -2.694 1.00 0.00 C ATOM 367 CG ASP A 116 2.790 -5.357 -2.583 1.00 0.00 C ATOM 368 OD1 ASP A 116 2.667 -4.715 -3.613 1.00 0.00 O ATOM 369 OD2 ASP A 116 2.564 -4.912 -1.471 1.00 0.00 O ATOM 0 H ASP A 116 5.011 -4.929 -2.720 1.00 0.00 H new ATOM 0 HA ASP A 116 5.047 -7.836 -3.327 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.491 -7.410 -3.188 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.399 -7.233 -1.700 1.00 0.00 H new ATOM 374 N HIS A 117 4.513 -5.542 -5.514 1.00 0.00 N ATOM 375 CA HIS A 117 4.234 -5.315 -6.959 1.00 0.00 C ATOM 376 C HIS A 117 5.462 -5.688 -7.795 1.00 0.00 C ATOM 377 O HIS A 117 5.341 -6.130 -8.920 1.00 0.00 O ATOM 378 CB HIS A 117 3.894 -3.841 -7.188 1.00 0.00 C ATOM 379 CG HIS A 117 3.567 -3.624 -8.640 1.00 0.00 C ATOM 380 ND1 HIS A 117 2.281 -3.773 -9.138 1.00 0.00 N ATOM 381 CD2 HIS A 117 4.347 -3.271 -9.713 1.00 0.00 C ATOM 382 CE1 HIS A 117 2.326 -3.512 -10.458 1.00 0.00 C ATOM 383 NE2 HIS A 117 3.562 -3.202 -10.860 1.00 0.00 N ATOM 0 H HIS A 117 4.899 -4.740 -5.015 1.00 0.00 H new ATOM 0 HA HIS A 117 3.392 -5.938 -7.261 1.00 0.00 H new ATOM 0 HB2 HIS A 117 3.047 -3.551 -6.566 1.00 0.00 H new ATOM 0 HB3 HIS A 117 4.735 -3.213 -6.895 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.409 -3.076 -9.673 1.00 0.00 H new ATOM 0 HE1 HIS A 117 1.468 -3.549 -11.112 1.00 0.00 H new ATOM 0 HE2 HIS A 117 3.865 -2.966 -11.805 1.00 0.00 H new ATOM 391 N CYS A 118 6.643 -5.516 -7.264 1.00 0.00 N ATOM 392 CA CYS A 118 7.860 -5.866 -8.051 1.00 0.00 C ATOM 393 C CYS A 118 8.676 -6.924 -7.301 1.00 0.00 C ATOM 394 O CYS A 118 9.618 -7.480 -7.827 1.00 0.00 O ATOM 395 CB CYS A 118 8.712 -4.613 -8.267 1.00 0.00 C ATOM 396 SG CYS A 118 9.191 -3.921 -6.667 1.00 0.00 S ATOM 0 H CYS A 118 6.817 -5.151 -6.327 1.00 0.00 H new ATOM 0 HA CYS A 118 7.559 -6.267 -9.019 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.600 -4.861 -8.848 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.152 -3.875 -8.841 1.00 0.00 H new ATOM 0 HG CYS A 118 8.125 -3.584 -6.004 1.00 0.00 H new ATOM 401 N GLY A 119 8.318 -7.212 -6.079 1.00 0.00 N ATOM 402 CA GLY A 119 9.072 -8.239 -5.304 1.00 0.00 C ATOM 403 C GLY A 119 10.525 -7.793 -5.129 1.00 0.00 C ATOM 404 O GLY A 119 11.449 -8.539 -5.389 1.00 0.00 O ATOM 0 H GLY A 119 7.537 -6.781 -5.584 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.607 -8.386 -4.329 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.036 -9.197 -5.822 1.00 0.00 H new ATOM 408 N SER A 120 10.737 -6.584 -4.689 1.00 0.00 N ATOM 409 CA SER A 120 12.131 -6.093 -4.496 1.00 0.00 C ATOM 410 C SER A 120 12.195 -5.218 -3.241 1.00 0.00 C ATOM 411 O SER A 120 11.282 -4.473 -2.945 1.00 0.00 O ATOM 412 CB SER A 120 12.554 -5.271 -5.714 1.00 0.00 C ATOM 413 OG SER A 120 12.256 -6.000 -6.897 1.00 0.00 O ATOM 0 H SER A 120 10.005 -5.914 -4.454 1.00 0.00 H new ATOM 0 HA SER A 120 12.803 -6.943 -4.380 1.00 0.00 H new ATOM 0 HB2 SER A 120 12.032 -4.314 -5.721 1.00 0.00 H new ATOM 0 HB3 SER A 120 13.621 -5.052 -5.667 1.00 0.00 H new ATOM 0 HG SER A 120 12.524 -5.476 -7.680 1.00 0.00 H new ATOM 419 N LEU A 121 13.266 -5.304 -2.498 1.00 0.00 N ATOM 420 CA LEU A 121 13.385 -4.477 -1.262 1.00 0.00 C ATOM 421 C LEU A 121 13.404 -2.993 -1.623 1.00 0.00 C ATOM 422 O LEU A 121 14.098 -2.567 -2.525 1.00 0.00 O ATOM 423 CB LEU A 121 14.673 -4.835 -0.519 1.00 0.00 C ATOM 424 CG LEU A 121 14.385 -5.940 0.496 1.00 0.00 C ATOM 425 CD1 LEU A 121 15.693 -6.637 0.877 1.00 0.00 C ATOM 426 CD2 LEU A 121 13.752 -5.324 1.747 1.00 0.00 C ATOM 0 H LEU A 121 14.063 -5.910 -2.693 1.00 0.00 H new ATOM 0 HA LEU A 121 12.527 -4.680 -0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.434 -5.165 -1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 121 15.070 -3.955 -0.012 1.00 0.00 H new ATOM 0 HG LEU A 121 13.701 -6.668 0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 121 15.488 -7.425 1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 121 16.147 -7.072 -0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 121 16.378 -5.911 1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 121 13.545 -6.109 2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 121 14.439 -4.598 2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 121 12.821 -4.826 1.476 1.00 0.00 H new ATOM 438 N LEU A 122 12.646 -2.205 -0.916 1.00 0.00 N ATOM 439 CA LEU A 122 12.610 -0.743 -1.199 1.00 0.00 C ATOM 440 C LEU A 122 13.967 -0.126 -0.848 1.00 0.00 C ATOM 441 O LEU A 122 14.173 0.366 0.244 1.00 0.00 O ATOM 442 CB LEU A 122 11.514 -0.092 -0.353 1.00 0.00 C ATOM 443 CG LEU A 122 10.209 -0.873 -0.520 1.00 0.00 C ATOM 444 CD1 LEU A 122 9.385 -0.776 0.764 1.00 0.00 C ATOM 445 CD2 LEU A 122 9.407 -0.282 -1.683 1.00 0.00 C ATOM 0 H LEU A 122 12.046 -2.511 -0.150 1.00 0.00 H new ATOM 0 HA LEU A 122 12.399 -0.577 -2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 122 11.810 -0.077 0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 122 11.372 0.945 -0.658 1.00 0.00 H new ATOM 0 HG LEU A 122 10.438 -1.919 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.456 -1.333 0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 122 9.954 -1.195 1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 122 9.157 0.269 0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.477 -0.838 -1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 122 9.181 0.764 -1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.992 -0.351 -2.600 1.00 0.00 H new ATOM 457 N TYR A 123 14.894 -0.151 -1.767 1.00 0.00 N ATOM 458 CA TYR A 123 16.239 0.430 -1.491 1.00 0.00 C ATOM 459 C TYR A 123 16.080 1.768 -0.766 1.00 0.00 C ATOM 460 O TYR A 123 15.028 2.375 -0.786 1.00 0.00 O ATOM 461 CB TYR A 123 16.979 0.653 -2.812 1.00 0.00 C ATOM 462 CG TYR A 123 16.991 -0.631 -3.605 1.00 0.00 C ATOM 463 CD1 TYR A 123 17.511 -1.801 -3.037 1.00 0.00 C ATOM 464 CD2 TYR A 123 16.483 -0.653 -4.911 1.00 0.00 C ATOM 465 CE1 TYR A 123 17.524 -2.992 -3.773 1.00 0.00 C ATOM 466 CE2 TYR A 123 16.494 -1.844 -5.648 1.00 0.00 C ATOM 467 CZ TYR A 123 17.016 -3.015 -5.079 1.00 0.00 C ATOM 468 OH TYR A 123 17.027 -4.188 -5.805 1.00 0.00 O ATOM 0 H TYR A 123 14.778 -0.549 -2.699 1.00 0.00 H new ATOM 0 HA TYR A 123 16.808 -0.257 -0.865 1.00 0.00 H new ATOM 0 HB2 TYR A 123 16.492 1.442 -3.385 1.00 0.00 H new ATOM 0 HB3 TYR A 123 18.000 0.983 -2.618 1.00 0.00 H new ATOM 0 HD1 TYR A 123 17.902 -1.784 -2.030 1.00 0.00 H new ATOM 0 HD2 TYR A 123 16.083 0.249 -5.349 1.00 0.00 H new ATOM 0 HE1 TYR A 123 17.926 -3.893 -3.334 1.00 0.00 H new ATOM 0 HE2 TYR A 123 16.101 -1.861 -6.654 1.00 0.00 H new ATOM 0 HH TYR A 123 16.637 -4.029 -6.690 1.00 0.00 H new ATOM 478 N GLY A 124 17.119 2.235 -0.128 1.00 0.00 N ATOM 479 CA GLY A 124 17.027 3.534 0.595 1.00 0.00 C ATOM 480 C GLY A 124 16.609 4.630 -0.385 1.00 0.00 C ATOM 481 O GLY A 124 17.433 5.237 -1.041 1.00 0.00 O ATOM 0 H GLY A 124 18.027 1.773 -0.077 1.00 0.00 H new ATOM 0 HA2 GLY A 124 16.303 3.461 1.407 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.988 3.781 1.046 1.00 0.00 H new ATOM 485 N LEU A 125 15.335 4.887 -0.493 1.00 0.00 N ATOM 486 CA LEU A 125 14.866 5.942 -1.435 1.00 0.00 C ATOM 487 C LEU A 125 13.568 6.563 -0.912 1.00 0.00 C ATOM 488 O LEU A 125 13.346 7.751 -1.037 1.00 0.00 O ATOM 489 CB LEU A 125 14.611 5.318 -2.810 1.00 0.00 C ATOM 490 CG LEU A 125 15.890 5.386 -3.647 1.00 0.00 C ATOM 491 CD1 LEU A 125 15.739 4.495 -4.882 1.00 0.00 C ATOM 492 CD2 LEU A 125 16.131 6.831 -4.089 1.00 0.00 C ATOM 0 H LEU A 125 14.599 4.413 0.030 1.00 0.00 H new ATOM 0 HA LEU A 125 15.629 6.716 -1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 125 14.292 4.282 -2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 125 13.804 5.847 -3.317 1.00 0.00 H new ATOM 0 HG LEU A 125 16.735 5.041 -3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 125 16.650 4.543 -5.479 1.00 0.00 H new ATOM 0 HD12 LEU A 125 15.564 3.466 -4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 125 14.895 4.841 -5.479 1.00 0.00 H new ATOM 0 HD21 LEU A 125 17.042 6.882 -4.686 1.00 0.00 H new ATOM 0 HD22 LEU A 125 15.286 7.174 -4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 125 16.237 7.467 -3.210 1.00 0.00 H new ATOM 504 N VAL A 126 12.707 5.772 -0.332 1.00 0.00 N ATOM 505 CA VAL A 126 11.425 6.326 0.191 1.00 0.00 C ATOM 506 C VAL A 126 11.402 6.219 1.716 1.00 0.00 C ATOM 507 O VAL A 126 10.356 6.085 2.318 1.00 0.00 O ATOM 508 CB VAL A 126 10.254 5.535 -0.392 1.00 0.00 C ATOM 509 CG1 VAL A 126 9.862 6.127 -1.747 1.00 0.00 C ATOM 510 CG2 VAL A 126 10.667 4.073 -0.576 1.00 0.00 C ATOM 0 H VAL A 126 12.835 4.769 -0.198 1.00 0.00 H new ATOM 0 HA VAL A 126 11.339 7.373 -0.099 1.00 0.00 H new ATOM 0 HB VAL A 126 9.404 5.590 0.289 1.00 0.00 H new ATOM 0 HG11 VAL A 126 9.027 5.563 -2.163 1.00 0.00 H new ATOM 0 HG12 VAL A 126 9.568 7.169 -1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 126 10.712 6.072 -2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 126 9.832 3.509 -0.992 1.00 0.00 H new ATOM 0 HG22 VAL A 126 11.517 4.018 -1.256 1.00 0.00 H new ATOM 0 HG23 VAL A 126 10.946 3.650 0.389 1.00 0.00 H new ATOM 520 N HIS A 127 12.547 6.275 2.343 1.00 0.00 N ATOM 521 CA HIS A 127 12.600 6.174 3.830 1.00 0.00 C ATOM 522 C HIS A 127 12.494 4.706 4.248 1.00 0.00 C ATOM 523 O HIS A 127 13.458 4.101 4.672 1.00 0.00 O ATOM 524 CB HIS A 127 11.447 6.971 4.447 1.00 0.00 C ATOM 525 CG HIS A 127 11.765 7.275 5.884 1.00 0.00 C ATOM 526 ND1 HIS A 127 10.781 7.374 6.855 1.00 0.00 N ATOM 527 CD2 HIS A 127 12.955 7.503 6.531 1.00 0.00 C ATOM 528 CE1 HIS A 127 11.391 7.650 8.023 1.00 0.00 C ATOM 529 NE2 HIS A 127 12.717 7.739 7.881 1.00 0.00 N ATOM 0 H HIS A 127 13.452 6.387 1.886 1.00 0.00 H new ATOM 0 HA HIS A 127 13.546 6.584 4.184 1.00 0.00 H new ATOM 0 HB2 HIS A 127 11.293 7.897 3.893 1.00 0.00 H new ATOM 0 HB3 HIS A 127 10.520 6.402 4.381 1.00 0.00 H new ATOM 0 HD2 HIS A 127 13.928 7.500 6.062 1.00 0.00 H new ATOM 0 HE1 HIS A 127 10.872 7.783 8.961 1.00 0.00 H new ATOM 0 HE2 HIS A 127 13.406 7.937 8.606 1.00 0.00 H new ATOM 537 N GLN A 128 11.331 4.123 4.130 1.00 0.00 N ATOM 538 CA GLN A 128 11.170 2.694 4.518 1.00 0.00 C ATOM 539 C GLN A 128 10.340 1.970 3.456 1.00 0.00 C ATOM 540 O GLN A 128 10.821 1.089 2.773 1.00 0.00 O ATOM 541 CB GLN A 128 10.456 2.605 5.869 1.00 0.00 C ATOM 542 CG GLN A 128 11.070 3.614 6.842 1.00 0.00 C ATOM 543 CD GLN A 128 10.105 4.785 7.038 1.00 0.00 C ATOM 544 OE1 GLN A 128 10.081 5.396 8.087 1.00 0.00 O ATOM 545 NE2 GLN A 128 9.305 5.125 6.067 1.00 0.00 N ATOM 0 H GLN A 128 10.486 4.576 3.781 1.00 0.00 H new ATOM 0 HA GLN A 128 12.152 2.227 4.596 1.00 0.00 H new ATOM 0 HB2 GLN A 128 9.392 2.807 5.743 1.00 0.00 H new ATOM 0 HB3 GLN A 128 10.544 1.596 6.272 1.00 0.00 H new ATOM 0 HG2 GLN A 128 11.276 3.134 7.799 1.00 0.00 H new ATOM 0 HG3 GLN A 128 12.023 3.975 6.455 1.00 0.00 H new ATOM 0 HE21 GLN A 128 9.325 4.612 5.186 1.00 0.00 H new ATOM 0 HE22 GLN A 128 8.658 5.905 6.188 1.00 0.00 H new ATOM 554 N GLY A 129 9.096 2.336 3.312 1.00 0.00 N ATOM 555 CA GLY A 129 8.234 1.670 2.293 1.00 0.00 C ATOM 556 C GLY A 129 6.804 2.196 2.411 1.00 0.00 C ATOM 557 O GLY A 129 6.388 2.665 3.454 1.00 0.00 O ATOM 0 H GLY A 129 8.638 3.068 3.856 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.622 1.862 1.292 1.00 0.00 H new ATOM 0 HA3 GLY A 129 8.249 0.590 2.439 1.00 0.00 H new ATOM 561 N MET A 130 6.044 2.126 1.351 1.00 0.00 N ATOM 562 CA MET A 130 4.641 2.625 1.406 1.00 0.00 C ATOM 563 C MET A 130 3.701 1.495 1.825 1.00 0.00 C ATOM 564 O MET A 130 3.579 0.495 1.149 1.00 0.00 O ATOM 565 CB MET A 130 4.223 3.137 0.025 1.00 0.00 C ATOM 566 CG MET A 130 4.540 4.625 -0.092 1.00 0.00 C ATOM 567 SD MET A 130 6.312 4.891 0.137 1.00 0.00 S ATOM 568 CE MET A 130 6.285 6.684 -0.095 1.00 0.00 C ATOM 0 H MET A 130 6.334 1.745 0.450 1.00 0.00 H new ATOM 0 HA MET A 130 4.582 3.435 2.133 1.00 0.00 H new ATOM 0 HB2 MET A 130 4.747 2.582 -0.753 1.00 0.00 H new ATOM 0 HB3 MET A 130 3.157 2.970 -0.128 1.00 0.00 H new ATOM 0 HG2 MET A 130 4.230 4.997 -1.069 1.00 0.00 H new ATOM 0 HG3 MET A 130 3.979 5.186 0.655 1.00 0.00 H new ATOM 0 HE1 MET A 130 7.117 7.134 0.447 1.00 0.00 H new ATOM 0 HE2 MET A 130 6.376 6.915 -1.156 1.00 0.00 H new ATOM 0 HE3 MET A 130 5.346 7.086 0.285 1.00 0.00 H new ATOM 578 N LYS A 131 3.027 1.653 2.931 1.00 0.00 N ATOM 579 CA LYS A 131 2.085 0.593 3.384 1.00 0.00 C ATOM 580 C LYS A 131 0.651 1.073 3.174 1.00 0.00 C ATOM 581 O LYS A 131 0.266 2.130 3.633 1.00 0.00 O ATOM 582 CB LYS A 131 2.312 0.303 4.867 1.00 0.00 C ATOM 583 CG LYS A 131 1.523 -0.945 5.273 1.00 0.00 C ATOM 584 CD LYS A 131 0.282 -0.530 6.068 1.00 0.00 C ATOM 585 CE LYS A 131 0.702 -0.053 7.461 1.00 0.00 C ATOM 586 NZ LYS A 131 -0.198 1.050 7.899 1.00 0.00 N ATOM 0 H LYS A 131 3.088 2.469 3.539 1.00 0.00 H new ATOM 0 HA LYS A 131 2.257 -0.317 2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 131 3.374 0.153 5.060 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.996 1.156 5.467 1.00 0.00 H new ATOM 0 HG2 LYS A 131 1.229 -1.506 4.386 1.00 0.00 H new ATOM 0 HG3 LYS A 131 2.149 -1.604 5.874 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -0.249 0.265 5.545 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -0.407 -1.371 6.152 1.00 0.00 H new ATOM 0 HE2 LYS A 131 0.654 -0.879 8.170 1.00 0.00 H new ATOM 0 HE3 LYS A 131 1.736 0.292 7.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 0.086 1.375 8.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -0.131 1.841 7.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -1.179 0.706 7.931 1.00 0.00 H new ATOM 600 N CYS A 132 -0.143 0.309 2.480 1.00 0.00 N ATOM 601 CA CYS A 132 -1.552 0.729 2.239 1.00 0.00 C ATOM 602 C CYS A 132 -2.329 0.671 3.554 1.00 0.00 C ATOM 603 O CYS A 132 -2.463 -0.372 4.162 1.00 0.00 O ATOM 604 CB CYS A 132 -2.201 -0.202 1.217 1.00 0.00 C ATOM 605 SG CYS A 132 -3.907 0.323 0.921 1.00 0.00 S ATOM 0 H CYS A 132 0.121 -0.587 2.069 1.00 0.00 H new ATOM 0 HA CYS A 132 -1.566 1.748 1.852 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -1.637 -0.185 0.284 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -2.183 -1.229 1.582 1.00 0.00 H new ATOM 0 HG CYS A 132 -4.269 1.162 1.846 1.00 0.00 H new ATOM 610 N SER A 133 -2.844 1.785 3.996 1.00 0.00 N ATOM 611 CA SER A 133 -3.613 1.798 5.274 1.00 0.00 C ATOM 612 C SER A 133 -5.072 1.425 4.997 1.00 0.00 C ATOM 613 O SER A 133 -5.987 2.008 5.542 1.00 0.00 O ATOM 614 CB SER A 133 -3.553 3.198 5.889 1.00 0.00 C ATOM 615 OG SER A 133 -2.230 3.455 6.342 1.00 0.00 O ATOM 0 H SER A 133 -2.766 2.688 3.528 1.00 0.00 H new ATOM 0 HA SER A 133 -3.179 1.076 5.966 1.00 0.00 H new ATOM 0 HB2 SER A 133 -3.849 3.945 5.152 1.00 0.00 H new ATOM 0 HB3 SER A 133 -4.255 3.274 6.719 1.00 0.00 H new ATOM 0 HG SER A 133 -2.187 4.352 6.735 1.00 0.00 H new ATOM 621 N CYS A 134 -5.294 0.455 4.153 1.00 0.00 N ATOM 622 CA CYS A 134 -6.689 0.039 3.839 1.00 0.00 C ATOM 623 C CYS A 134 -6.705 -1.446 3.470 1.00 0.00 C ATOM 624 O CYS A 134 -7.619 -2.171 3.811 1.00 0.00 O ATOM 625 CB CYS A 134 -7.215 0.866 2.665 1.00 0.00 C ATOM 626 SG CYS A 134 -8.867 0.285 2.209 1.00 0.00 S ATOM 0 H CYS A 134 -4.567 -0.069 3.666 1.00 0.00 H new ATOM 0 HA CYS A 134 -7.324 0.203 4.709 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -7.251 1.921 2.937 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -6.540 0.779 1.814 1.00 0.00 H new ATOM 0 HG CYS A 134 -8.849 -0.159 0.987 1.00 0.00 H new ATOM 632 N CYS A 135 -5.702 -1.906 2.770 1.00 0.00 N ATOM 633 CA CYS A 135 -5.661 -3.341 2.376 1.00 0.00 C ATOM 634 C CYS A 135 -4.320 -3.953 2.795 1.00 0.00 C ATOM 635 O CYS A 135 -4.063 -5.118 2.564 1.00 0.00 O ATOM 636 CB CYS A 135 -5.827 -3.455 0.857 1.00 0.00 C ATOM 637 SG CYS A 135 -4.314 -2.897 0.029 1.00 0.00 S ATOM 0 H CYS A 135 -4.909 -1.347 2.455 1.00 0.00 H new ATOM 0 HA CYS A 135 -6.470 -3.877 2.872 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -6.043 -4.487 0.582 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -6.675 -2.854 0.529 1.00 0.00 H new ATOM 0 HG CYS A 135 -4.225 -1.603 0.115 1.00 0.00 H new ATOM 642 N GLU A 136 -3.459 -3.176 3.400 1.00 0.00 N ATOM 643 CA GLU A 136 -2.135 -3.714 3.821 1.00 0.00 C ATOM 644 C GLU A 136 -1.342 -4.112 2.577 1.00 0.00 C ATOM 645 O GLU A 136 -1.282 -5.268 2.207 1.00 0.00 O ATOM 646 CB GLU A 136 -2.333 -4.934 4.724 1.00 0.00 C ATOM 647 CG GLU A 136 -2.416 -4.481 6.182 1.00 0.00 C ATOM 648 CD GLU A 136 -3.882 -4.274 6.570 1.00 0.00 C ATOM 649 OE1 GLU A 136 -4.671 -3.981 5.687 1.00 0.00 O ATOM 650 OE2 GLU A 136 -4.190 -4.412 7.742 1.00 0.00 O ATOM 0 H GLU A 136 -3.617 -2.193 3.620 1.00 0.00 H new ATOM 0 HA GLU A 136 -1.589 -2.951 4.376 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -3.244 -5.463 4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -1.506 -5.633 4.596 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -1.959 -5.227 6.832 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -1.858 -3.554 6.318 1.00 0.00 H new ATOM 657 N MET A 137 -0.742 -3.156 1.925 1.00 0.00 N ATOM 658 CA MET A 137 0.042 -3.465 0.695 1.00 0.00 C ATOM 659 C MET A 137 1.342 -2.659 0.698 1.00 0.00 C ATOM 660 O MET A 137 1.334 -1.447 0.608 1.00 0.00 O ATOM 661 CB MET A 137 -0.786 -3.087 -0.535 1.00 0.00 C ATOM 662 CG MET A 137 -0.418 -4.000 -1.707 1.00 0.00 C ATOM 663 SD MET A 137 -1.078 -3.299 -3.239 1.00 0.00 S ATOM 664 CE MET A 137 -1.337 -4.861 -4.113 1.00 0.00 C ATOM 0 H MET A 137 -0.760 -2.171 2.191 1.00 0.00 H new ATOM 0 HA MET A 137 0.277 -4.529 0.670 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.849 -3.177 -0.311 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.604 -2.046 -0.802 1.00 0.00 H new ATOM 0 HG2 MET A 137 0.665 -4.103 -1.777 1.00 0.00 H new ATOM 0 HG3 MET A 137 -0.823 -4.999 -1.546 1.00 0.00 H new ATOM 0 HE1 MET A 137 -1.748 -4.661 -5.102 1.00 0.00 H new ATOM 0 HE2 MET A 137 -0.386 -5.383 -4.214 1.00 0.00 H new ATOM 0 HE3 MET A 137 -2.034 -5.482 -3.550 1.00 0.00 H new ATOM 674 N ASN A 138 2.462 -3.322 0.795 1.00 0.00 N ATOM 675 CA ASN A 138 3.762 -2.593 0.797 1.00 0.00 C ATOM 676 C ASN A 138 4.292 -2.498 -0.636 1.00 0.00 C ATOM 677 O ASN A 138 4.408 -3.488 -1.329 1.00 0.00 O ATOM 678 CB ASN A 138 4.768 -3.347 1.668 1.00 0.00 C ATOM 679 CG ASN A 138 4.352 -3.240 3.135 1.00 0.00 C ATOM 680 OD1 ASN A 138 3.230 -2.886 3.436 1.00 0.00 O ATOM 681 ND2 ASN A 138 5.215 -3.535 4.069 1.00 0.00 N ATOM 0 H ASN A 138 2.533 -4.337 0.873 1.00 0.00 H new ATOM 0 HA ASN A 138 3.618 -1.590 1.198 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.813 -4.394 1.367 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.767 -2.932 1.531 1.00 0.00 H new ATOM 0 HD21 ASN A 138 4.947 -3.468 5.051 1.00 0.00 H new ATOM 0 HD22 ASN A 138 6.158 -3.832 3.817 1.00 0.00 H new ATOM 688 N VAL A 139 4.612 -1.316 -1.088 1.00 0.00 N ATOM 689 CA VAL A 139 5.129 -1.169 -2.478 1.00 0.00 C ATOM 690 C VAL A 139 6.115 -0.003 -2.544 1.00 0.00 C ATOM 691 O VAL A 139 6.343 0.691 -1.571 1.00 0.00 O ATOM 692 CB VAL A 139 3.963 -0.899 -3.430 1.00 0.00 C ATOM 693 CG1 VAL A 139 3.226 -2.205 -3.724 1.00 0.00 C ATOM 694 CG2 VAL A 139 2.999 0.097 -2.783 1.00 0.00 C ATOM 0 H VAL A 139 4.538 -0.448 -0.557 1.00 0.00 H new ATOM 0 HA VAL A 139 5.637 -2.088 -2.770 1.00 0.00 H new ATOM 0 HB VAL A 139 4.346 -0.484 -4.362 1.00 0.00 H new ATOM 0 HG11 VAL A 139 2.396 -2.009 -4.403 1.00 0.00 H new ATOM 0 HG12 VAL A 139 3.913 -2.914 -4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 139 2.843 -2.624 -2.794 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.167 0.291 -3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 139 2.618 -0.319 -1.850 1.00 0.00 H new ATOM 0 HG23 VAL A 139 3.524 1.030 -2.577 1.00 0.00 H new ATOM 704 N HIS A 140 6.699 0.218 -3.690 1.00 0.00 N ATOM 705 CA HIS A 140 7.670 1.337 -3.837 1.00 0.00 C ATOM 706 C HIS A 140 6.905 2.646 -4.038 1.00 0.00 C ATOM 707 O HIS A 140 5.690 2.672 -4.043 1.00 0.00 O ATOM 708 CB HIS A 140 8.560 1.081 -5.056 1.00 0.00 C ATOM 709 CG HIS A 140 9.567 0.011 -4.733 1.00 0.00 C ATOM 710 ND1 HIS A 140 9.370 -1.319 -5.073 1.00 0.00 N ATOM 711 CD2 HIS A 140 10.785 0.061 -4.103 1.00 0.00 C ATOM 712 CE1 HIS A 140 10.446 -2.008 -4.646 1.00 0.00 C ATOM 713 NE2 HIS A 140 11.338 -1.214 -4.049 1.00 0.00 N ATOM 0 H HIS A 140 6.544 -0.332 -4.535 1.00 0.00 H new ATOM 0 HA HIS A 140 8.287 1.405 -2.941 1.00 0.00 H new ATOM 0 HB2 HIS A 140 7.950 0.775 -5.906 1.00 0.00 H new ATOM 0 HB3 HIS A 140 9.071 2.000 -5.345 1.00 0.00 H new ATOM 0 HD2 HIS A 140 11.245 0.955 -3.709 1.00 0.00 H new ATOM 0 HE1 HIS A 140 10.572 -3.073 -4.771 1.00 0.00 H new ATOM 0 HE2 HIS A 140 12.233 -1.484 -3.641 1.00 0.00 H new ATOM 720 N ARG A 141 7.605 3.734 -4.214 1.00 0.00 N ATOM 721 CA ARG A 141 6.917 5.035 -4.424 1.00 0.00 C ATOM 722 C ARG A 141 6.595 5.188 -5.913 1.00 0.00 C ATOM 723 O ARG A 141 5.591 5.760 -6.286 1.00 0.00 O ATOM 724 CB ARG A 141 7.836 6.172 -3.969 1.00 0.00 C ATOM 725 CG ARG A 141 7.345 7.498 -4.548 1.00 0.00 C ATOM 726 CD ARG A 141 7.638 8.630 -3.561 1.00 0.00 C ATOM 727 NE ARG A 141 6.565 9.659 -3.655 1.00 0.00 N ATOM 728 CZ ARG A 141 6.831 10.837 -4.151 1.00 0.00 C ATOM 729 NH1 ARG A 141 6.773 11.030 -5.440 1.00 0.00 N ATOM 730 NH2 ARG A 141 7.157 11.820 -3.358 1.00 0.00 N ATOM 0 H ARG A 141 8.624 3.776 -4.221 1.00 0.00 H new ATOM 0 HA ARG A 141 5.994 5.070 -3.846 1.00 0.00 H new ATOM 0 HB2 ARG A 141 7.853 6.224 -2.880 1.00 0.00 H new ATOM 0 HB3 ARG A 141 8.858 5.978 -4.295 1.00 0.00 H new ATOM 0 HG2 ARG A 141 7.838 7.695 -5.500 1.00 0.00 H new ATOM 0 HG3 ARG A 141 6.275 7.445 -4.748 1.00 0.00 H new ATOM 0 HD2 ARG A 141 7.692 8.237 -2.546 1.00 0.00 H new ATOM 0 HD3 ARG A 141 8.607 9.078 -3.782 1.00 0.00 H new ATOM 0 HE ARG A 141 5.622 9.443 -3.332 1.00 0.00 H new ATOM 0 HH11 ARG A 141 6.520 10.261 -6.060 1.00 0.00 H new ATOM 0 HH12 ARG A 141 6.981 11.950 -5.828 1.00 0.00 H new ATOM 0 HH21 ARG A 141 7.204 11.668 -2.350 1.00 0.00 H new ATOM 0 HH22 ARG A 141 7.365 12.740 -3.745 1.00 0.00 H new ATOM 744 N ARG A 142 7.440 4.674 -6.765 1.00 0.00 N ATOM 745 CA ARG A 142 7.183 4.781 -8.228 1.00 0.00 C ATOM 746 C ARG A 142 6.462 3.519 -8.709 1.00 0.00 C ATOM 747 O ARG A 142 6.196 3.354 -9.884 1.00 0.00 O ATOM 748 CB ARG A 142 8.513 4.923 -8.971 1.00 0.00 C ATOM 749 CG ARG A 142 9.301 3.616 -8.867 1.00 0.00 C ATOM 750 CD ARG A 142 10.791 3.929 -8.733 1.00 0.00 C ATOM 751 NE ARG A 142 11.215 4.816 -9.853 1.00 0.00 N ATOM 752 CZ ARG A 142 11.963 4.343 -10.811 1.00 0.00 C ATOM 753 NH1 ARG A 142 11.631 3.234 -11.412 1.00 0.00 N ATOM 754 NH2 ARG A 142 13.044 4.982 -11.169 1.00 0.00 N ATOM 0 H ARG A 142 8.298 4.184 -6.510 1.00 0.00 H new ATOM 0 HA ARG A 142 6.562 5.655 -8.427 1.00 0.00 H new ATOM 0 HB2 ARG A 142 8.332 5.168 -10.018 1.00 0.00 H new ATOM 0 HB3 ARG A 142 9.092 5.743 -8.547 1.00 0.00 H new ATOM 0 HG2 ARG A 142 8.960 3.041 -8.006 1.00 0.00 H new ATOM 0 HG3 ARG A 142 9.125 3.002 -9.750 1.00 0.00 H new ATOM 0 HD2 ARG A 142 10.987 4.414 -7.777 1.00 0.00 H new ATOM 0 HD3 ARG A 142 11.370 3.006 -8.747 1.00 0.00 H new ATOM 0 HE ARG A 142 10.920 5.792 -9.870 1.00 0.00 H new ATOM 0 HH11 ARG A 142 10.786 2.736 -11.133 1.00 0.00 H new ATOM 0 HH12 ARG A 142 12.217 2.865 -12.161 1.00 0.00 H new ATOM 0 HH21 ARG A 142 13.302 5.850 -10.700 1.00 0.00 H new ATOM 0 HH22 ARG A 142 13.630 4.613 -11.918 1.00 0.00 H new ATOM 768 N CYS A 143 6.140 2.628 -7.810 1.00 0.00 N ATOM 769 CA CYS A 143 5.434 1.381 -8.217 1.00 0.00 C ATOM 770 C CYS A 143 3.923 1.615 -8.162 1.00 0.00 C ATOM 771 O CYS A 143 3.158 0.968 -8.847 1.00 0.00 O ATOM 772 CB CYS A 143 5.808 0.248 -7.259 1.00 0.00 C ATOM 773 SG CYS A 143 7.263 -0.621 -7.894 1.00 0.00 S ATOM 0 H CYS A 143 6.336 2.711 -6.812 1.00 0.00 H new ATOM 0 HA CYS A 143 5.726 1.110 -9.232 1.00 0.00 H new ATOM 0 HB2 CYS A 143 6.015 0.649 -6.267 1.00 0.00 H new ATOM 0 HB3 CYS A 143 4.973 -0.445 -7.155 1.00 0.00 H new ATOM 0 HG CYS A 143 8.004 -1.010 -6.900 1.00 0.00 H new ATOM 778 N VAL A 144 3.491 2.541 -7.350 1.00 0.00 N ATOM 779 CA VAL A 144 2.032 2.824 -7.249 1.00 0.00 C ATOM 780 C VAL A 144 1.521 3.340 -8.596 1.00 0.00 C ATOM 781 O VAL A 144 0.349 3.249 -8.904 1.00 0.00 O ATOM 782 CB VAL A 144 1.795 3.891 -6.178 1.00 0.00 C ATOM 783 CG1 VAL A 144 0.291 4.087 -5.977 1.00 0.00 C ATOM 784 CG2 VAL A 144 2.432 3.445 -4.859 1.00 0.00 C ATOM 0 H VAL A 144 4.086 3.114 -6.752 1.00 0.00 H new ATOM 0 HA VAL A 144 1.501 1.911 -6.981 1.00 0.00 H new ATOM 0 HB VAL A 144 2.245 4.831 -6.498 1.00 0.00 H new ATOM 0 HG11 VAL A 144 0.122 4.847 -5.214 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -0.163 4.407 -6.915 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -0.159 3.147 -5.658 1.00 0.00 H new ATOM 0 HG21 VAL A 144 2.262 4.206 -4.097 1.00 0.00 H new ATOM 0 HG22 VAL A 144 1.984 2.504 -4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 144 3.504 3.307 -5.001 1.00 0.00 H new ATOM 794 N ARG A 145 2.393 3.886 -9.398 1.00 0.00 N ATOM 795 CA ARG A 145 1.963 4.418 -10.722 1.00 0.00 C ATOM 796 C ARG A 145 1.591 3.259 -11.649 1.00 0.00 C ATOM 797 O ARG A 145 0.847 3.424 -12.597 1.00 0.00 O ATOM 798 CB ARG A 145 3.108 5.219 -11.341 1.00 0.00 C ATOM 799 CG ARG A 145 2.539 6.414 -12.108 1.00 0.00 C ATOM 800 CD ARG A 145 3.671 7.380 -12.457 1.00 0.00 C ATOM 801 NE ARG A 145 3.541 7.803 -13.879 1.00 0.00 N ATOM 802 CZ ARG A 145 2.459 8.409 -14.283 1.00 0.00 C ATOM 803 NH1 ARG A 145 1.668 8.977 -13.415 1.00 0.00 N ATOM 804 NH2 ARG A 145 2.167 8.447 -15.554 1.00 0.00 N ATOM 0 H ARG A 145 3.387 3.987 -9.193 1.00 0.00 H new ATOM 0 HA ARG A 145 1.095 5.063 -10.588 1.00 0.00 H new ATOM 0 HB2 ARG A 145 3.788 5.564 -10.562 1.00 0.00 H new ATOM 0 HB3 ARG A 145 3.688 4.585 -12.012 1.00 0.00 H new ATOM 0 HG2 ARG A 145 2.043 6.074 -13.017 1.00 0.00 H new ATOM 0 HG3 ARG A 145 1.786 6.922 -11.505 1.00 0.00 H new ATOM 0 HD2 ARG A 145 3.635 8.251 -11.803 1.00 0.00 H new ATOM 0 HD3 ARG A 145 4.636 6.900 -12.296 1.00 0.00 H new ATOM 0 HE ARG A 145 4.298 7.619 -14.537 1.00 0.00 H new ATOM 0 HH11 ARG A 145 1.896 8.947 -12.421 1.00 0.00 H new ATOM 0 HH12 ARG A 145 0.822 9.451 -13.730 1.00 0.00 H new ATOM 0 HH21 ARG A 145 2.785 8.003 -16.233 1.00 0.00 H new ATOM 0 HH22 ARG A 145 1.321 8.921 -15.869 1.00 0.00 H new ATOM 818 N SER A 146 2.105 2.092 -11.387 1.00 0.00 N ATOM 819 CA SER A 146 1.784 0.924 -12.255 1.00 0.00 C ATOM 820 C SER A 146 0.560 0.193 -11.700 1.00 0.00 C ATOM 821 O SER A 146 -0.043 -0.623 -12.369 1.00 0.00 O ATOM 822 CB SER A 146 2.977 -0.031 -12.284 1.00 0.00 C ATOM 823 OG SER A 146 4.160 0.703 -12.571 1.00 0.00 O ATOM 0 H SER A 146 2.734 1.895 -10.609 1.00 0.00 H new ATOM 0 HA SER A 146 1.570 1.272 -13.266 1.00 0.00 H new ATOM 0 HB2 SER A 146 3.074 -0.539 -11.324 1.00 0.00 H new ATOM 0 HB3 SER A 146 2.822 -0.802 -13.039 1.00 0.00 H new ATOM 0 HG SER A 146 4.927 0.093 -12.589 1.00 0.00 H new ATOM 829 N VAL A 147 0.188 0.478 -10.483 1.00 0.00 N ATOM 830 CA VAL A 147 -0.997 -0.203 -9.889 1.00 0.00 C ATOM 831 C VAL A 147 -2.275 0.521 -10.333 1.00 0.00 C ATOM 832 O VAL A 147 -2.353 1.731 -10.250 1.00 0.00 O ATOM 833 CB VAL A 147 -0.893 -0.160 -8.363 1.00 0.00 C ATOM 834 CG1 VAL A 147 -1.919 -1.114 -7.750 1.00 0.00 C ATOM 835 CG2 VAL A 147 0.514 -0.585 -7.936 1.00 0.00 C ATOM 0 H VAL A 147 0.652 1.152 -9.874 1.00 0.00 H new ATOM 0 HA VAL A 147 -1.030 -1.240 -10.224 1.00 0.00 H new ATOM 0 HB VAL A 147 -1.090 0.855 -8.017 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -1.842 -1.081 -6.663 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -2.922 -0.813 -8.052 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -1.725 -2.129 -8.097 1.00 0.00 H new ATOM 0 HG21 VAL A 147 0.589 -0.555 -6.849 1.00 0.00 H new ATOM 0 HG22 VAL A 147 0.709 -1.599 -8.285 1.00 0.00 H new ATOM 0 HG23 VAL A 147 1.247 0.096 -8.369 1.00 0.00 H new ATOM 845 N PRO A 148 -3.243 -0.238 -10.788 1.00 0.00 N ATOM 846 CA PRO A 148 -4.531 0.312 -11.249 1.00 0.00 C ATOM 847 C PRO A 148 -5.444 0.627 -10.057 1.00 0.00 C ATOM 848 O PRO A 148 -6.625 0.859 -10.219 1.00 0.00 O ATOM 849 CB PRO A 148 -5.120 -0.819 -12.095 1.00 0.00 C ATOM 850 CG PRO A 148 -4.440 -2.124 -11.616 1.00 0.00 C ATOM 851 CD PRO A 148 -3.144 -1.708 -10.895 1.00 0.00 C ATOM 0 HA PRO A 148 -4.421 1.245 -11.801 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -6.201 -0.876 -11.969 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -4.931 -0.649 -13.155 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -5.096 -2.678 -10.945 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -4.221 -2.778 -12.460 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -3.068 -2.174 -9.913 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -2.261 -2.007 -11.459 1.00 0.00 H new ATOM 859 N SER A 149 -4.908 0.634 -8.865 1.00 0.00 N ATOM 860 CA SER A 149 -5.744 0.930 -7.666 1.00 0.00 C ATOM 861 C SER A 149 -6.632 -0.278 -7.354 1.00 0.00 C ATOM 862 O SER A 149 -7.837 -0.165 -7.237 1.00 0.00 O ATOM 863 CB SER A 149 -6.610 2.165 -7.933 1.00 0.00 C ATOM 864 OG SER A 149 -7.858 1.769 -8.486 1.00 0.00 O ATOM 0 H SER A 149 -3.924 0.447 -8.670 1.00 0.00 H new ATOM 0 HA SER A 149 -5.098 1.130 -6.811 1.00 0.00 H new ATOM 0 HB2 SER A 149 -6.771 2.715 -7.006 1.00 0.00 H new ATOM 0 HB3 SER A 149 -6.096 2.839 -8.618 1.00 0.00 H new ATOM 0 HG SER A 149 -7.738 1.533 -9.429 1.00 0.00 H new ATOM 870 N LEU A 150 -6.045 -1.434 -7.216 1.00 0.00 N ATOM 871 CA LEU A 150 -6.851 -2.649 -6.908 1.00 0.00 C ATOM 872 C LEU A 150 -7.070 -2.747 -5.396 1.00 0.00 C ATOM 873 O LEU A 150 -6.900 -3.792 -4.801 1.00 0.00 O ATOM 874 CB LEU A 150 -6.107 -3.895 -7.397 1.00 0.00 C ATOM 875 CG LEU A 150 -5.593 -3.659 -8.819 1.00 0.00 C ATOM 876 CD1 LEU A 150 -4.174 -4.214 -8.948 1.00 0.00 C ATOM 877 CD2 LEU A 150 -6.510 -4.371 -9.816 1.00 0.00 C ATOM 0 H LEU A 150 -5.041 -1.590 -7.303 1.00 0.00 H new ATOM 0 HA LEU A 150 -7.815 -2.581 -7.412 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -5.274 -4.119 -6.731 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.771 -4.759 -7.378 1.00 0.00 H new ATOM 0 HG LEU A 150 -5.585 -2.590 -9.029 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -3.808 -4.046 -9.961 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -3.520 -3.709 -8.237 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -4.181 -5.284 -8.738 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -6.145 -4.204 -10.829 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -6.517 -5.440 -9.605 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -7.522 -3.977 -9.725 1.00 0.00 H new ATOM 889 N CYS A 151 -7.447 -1.664 -4.773 1.00 0.00 N ATOM 890 CA CYS A 151 -7.678 -1.692 -3.302 1.00 0.00 C ATOM 891 C CYS A 151 -9.136 -2.064 -3.023 1.00 0.00 C ATOM 892 O CYS A 151 -10.040 -1.625 -3.708 1.00 0.00 O ATOM 893 CB CYS A 151 -7.383 -0.310 -2.714 1.00 0.00 C ATOM 894 SG CYS A 151 -6.953 -0.476 -0.964 1.00 0.00 S ATOM 0 H CYS A 151 -7.605 -0.761 -5.220 1.00 0.00 H new ATOM 0 HA CYS A 151 -7.020 -2.430 -2.844 1.00 0.00 H new ATOM 0 HB2 CYS A 151 -6.564 0.160 -3.257 1.00 0.00 H new ATOM 0 HB3 CYS A 151 -8.253 0.337 -2.826 1.00 0.00 H new ATOM 0 HG CYS A 151 -6.032 -1.384 -0.828 1.00 0.00 H new