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 108 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 127 HIS : no HD1:sc= -12.3! C(o=-29!,f=-30!) USER MOD Set 1.3: A 128 GLN : amide:sc= -17! C(o=-29!,f=-35!) USER MOD Set 2.1: A 115 CYS SG : rot 110:sc= 0.807 USER MOD Set 2.2: A 117 HIS : no HD1:sc=-0.00842 K(o=-21,f=-22) USER MOD Set 2.3: A 118 CYS SG : rot -60:sc= -5.33! USER MOD Set 2.4: A 140 HIS : no HE2:sc= -15! C(o=-21!,f=-26!) USER MOD Set 2.5: A 143 CYS SG : rot -170:sc= -1.95! USER MOD Set 3.1: A 110 SER OG : rot 180:sc= -0.071 USER MOD Set 3.2: A 111 SER OG : rot -59:sc= -0.225! USER MOD Set 4.1: A 102 HIS : no HD1:sc= -4.11! C(o=-9.9!,f=-13!) USER MOD Set 4.2: A 132 CYS SG : rot 110:sc= -0.0307! USER MOD Set 4.3: A 135 CYS SG : rot -62:sc= -5.78! USER MOD Set 4.4: A 151 CYS SG : rot 86:sc= 0.0255 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.739 X(o=-0.74,f=-0.33) USER MOD Single : A 109 TYR OH : rot 180:sc= -2.16 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 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 -108:sc= -2.42! (180deg=-4.23!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 180:sc= -0.279 USER MOD Single : A 134 CYS SG : rot -160:sc= -1.71 USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 ASN : amide:sc= -0.632 K(o=-0.63,f=-3.2) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N HIS A 102 -5.802 3.347 -3.293 1.00 0.00 N ATOM 133 CA HIS A 102 -4.959 2.842 -2.172 1.00 0.00 C ATOM 134 C HIS A 102 -4.617 3.992 -1.224 1.00 0.00 C ATOM 135 O HIS A 102 -4.231 5.065 -1.645 1.00 0.00 O ATOM 136 CB HIS A 102 -3.647 2.271 -2.714 1.00 0.00 C ATOM 137 CG HIS A 102 -3.881 0.946 -3.384 1.00 0.00 C ATOM 138 ND1 HIS A 102 -4.284 -0.185 -2.687 1.00 0.00 N ATOM 139 CD2 HIS A 102 -3.732 0.549 -4.688 1.00 0.00 C ATOM 140 CE1 HIS A 102 -4.358 -1.199 -3.572 1.00 0.00 C ATOM 141 NE2 HIS A 102 -4.034 -0.804 -4.805 1.00 0.00 N ATOM 0 HA HIS A 102 -5.516 2.066 -1.647 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -3.206 2.970 -3.424 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -2.933 2.151 -1.899 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -3.426 1.190 -5.502 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -4.645 -2.208 -3.315 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -4.012 -1.372 -5.652 1.00 0.00 H new ATOM 148 N LYS A 103 -4.722 3.764 0.053 1.00 0.00 N ATOM 149 CA LYS A 103 -4.367 4.827 1.033 1.00 0.00 C ATOM 150 C LYS A 103 -2.893 4.650 1.399 1.00 0.00 C ATOM 151 O LYS A 103 -2.509 4.712 2.550 1.00 0.00 O ATOM 152 CB LYS A 103 -5.233 4.685 2.287 1.00 0.00 C ATOM 153 CG LYS A 103 -6.703 4.897 1.919 1.00 0.00 C ATOM 154 CD LYS A 103 -7.447 5.497 3.115 1.00 0.00 C ATOM 155 CE LYS A 103 -8.869 4.935 3.166 1.00 0.00 C ATOM 156 NZ LYS A 103 -9.827 5.959 2.663 1.00 0.00 N ATOM 0 H LYS A 103 -5.039 2.885 0.463 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.538 5.815 0.604 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.096 3.697 2.726 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.926 5.413 3.038 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.781 5.561 1.058 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.158 3.949 1.633 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.919 5.264 4.040 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.477 6.583 3.031 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -8.936 4.031 2.561 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -9.124 4.654 4.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -10.794 5.577 2.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -9.770 6.810 3.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -9.588 6.206 1.682 1.00 0.00 H new ATOM 170 N PHE A 104 -2.073 4.406 0.414 1.00 0.00 N ATOM 171 CA PHE A 104 -0.619 4.194 0.663 1.00 0.00 C ATOM 172 C PHE A 104 -0.109 5.156 1.737 1.00 0.00 C ATOM 173 O PHE A 104 -0.429 6.328 1.744 1.00 0.00 O ATOM 174 CB PHE A 104 0.154 4.430 -0.635 1.00 0.00 C ATOM 175 CG PHE A 104 -0.033 3.252 -1.561 1.00 0.00 C ATOM 176 CD1 PHE A 104 0.286 1.959 -1.123 1.00 0.00 C ATOM 177 CD2 PHE A 104 -0.522 3.450 -2.860 1.00 0.00 C ATOM 178 CE1 PHE A 104 0.118 0.866 -1.982 1.00 0.00 C ATOM 179 CE2 PHE A 104 -0.691 2.356 -3.719 1.00 0.00 C ATOM 180 CZ PHE A 104 -0.371 1.064 -3.280 1.00 0.00 C ATOM 0 H PHE A 104 -2.352 4.344 -0.565 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.468 3.172 1.010 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.196 5.343 -1.117 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.213 4.570 -0.418 1.00 0.00 H new ATOM 0 HD1 PHE A 104 0.662 1.806 -0.122 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.768 4.446 -3.198 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.365 -0.130 -1.644 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.068 2.508 -4.720 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.501 0.221 -3.942 1.00 0.00 H new ATOM 190 N ARG A 105 0.693 4.661 2.641 1.00 0.00 N ATOM 191 CA ARG A 105 1.247 5.528 3.716 1.00 0.00 C ATOM 192 C ARG A 105 2.611 4.976 4.135 1.00 0.00 C ATOM 193 O ARG A 105 2.698 4.018 4.877 1.00 0.00 O ATOM 194 CB ARG A 105 0.299 5.525 4.916 1.00 0.00 C ATOM 195 CG ARG A 105 0.144 6.951 5.448 1.00 0.00 C ATOM 196 CD ARG A 105 1.526 7.587 5.615 1.00 0.00 C ATOM 197 NE ARG A 105 1.453 8.677 6.627 1.00 0.00 N ATOM 198 CZ ARG A 105 2.018 9.828 6.388 1.00 0.00 C ATOM 199 NH1 ARG A 105 1.663 10.525 5.343 1.00 0.00 N ATOM 200 NH2 ARG A 105 2.940 10.283 7.192 1.00 0.00 N ATOM 0 H ARG A 105 0.989 3.686 2.679 1.00 0.00 H new ATOM 0 HA ARG A 105 1.356 6.550 3.353 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -0.673 5.127 4.624 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.688 4.874 5.699 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.460 7.543 4.760 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.380 6.939 6.404 1.00 0.00 H new ATOM 0 HD2 ARG A 105 2.249 6.834 5.928 1.00 0.00 H new ATOM 0 HD3 ARG A 105 1.873 7.985 4.661 1.00 0.00 H new ATOM 0 HE ARG A 105 0.961 8.523 7.507 1.00 0.00 H new ATOM 0 HH11 ARG A 105 0.944 10.170 4.713 1.00 0.00 H new ATOM 0 HH12 ARG A 105 2.105 11.425 5.156 1.00 0.00 H new ATOM 0 HH21 ARG A 105 3.219 9.738 8.008 1.00 0.00 H new ATOM 0 HH22 ARG A 105 3.381 11.183 7.004 1.00 0.00 H new ATOM 214 N LEU A 106 3.677 5.561 3.661 1.00 0.00 N ATOM 215 CA LEU A 106 5.024 5.050 4.033 1.00 0.00 C ATOM 216 C LEU A 106 5.169 5.066 5.556 1.00 0.00 C ATOM 217 O LEU A 106 5.014 6.088 6.197 1.00 0.00 O ATOM 218 CB LEU A 106 6.105 5.923 3.387 1.00 0.00 C ATOM 219 CG LEU A 106 6.219 7.252 4.133 1.00 0.00 C ATOM 220 CD1 LEU A 106 7.259 8.136 3.444 1.00 0.00 C ATOM 221 CD2 LEU A 106 4.864 7.960 4.127 1.00 0.00 C ATOM 0 H LEU A 106 3.673 6.367 3.035 1.00 0.00 H new ATOM 0 HA LEU A 106 5.140 4.027 3.674 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.063 5.403 3.405 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.860 6.104 2.340 1.00 0.00 H new ATOM 0 HG LEU A 106 6.525 7.065 5.162 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.340 9.084 3.976 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.226 7.632 3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.953 8.323 2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.946 8.908 4.659 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.556 8.147 3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.122 7.331 4.619 1.00 0.00 H new ATOM 233 N HIS A 107 5.453 3.935 6.140 1.00 0.00 N ATOM 234 CA HIS A 107 5.600 3.874 7.622 1.00 0.00 C ATOM 235 C HIS A 107 7.081 3.971 7.991 1.00 0.00 C ATOM 236 O HIS A 107 7.939 4.042 7.135 1.00 0.00 O ATOM 237 CB HIS A 107 5.030 2.553 8.138 1.00 0.00 C ATOM 238 CG HIS A 107 4.112 2.822 9.296 1.00 0.00 C ATOM 239 ND1 HIS A 107 3.785 1.845 10.224 1.00 0.00 N ATOM 240 CD2 HIS A 107 3.442 3.954 9.692 1.00 0.00 C ATOM 241 CE1 HIS A 107 2.954 2.402 11.124 1.00 0.00 C ATOM 242 NE2 HIS A 107 2.711 3.686 10.845 1.00 0.00 N ATOM 0 H HIS A 107 5.590 3.049 5.654 1.00 0.00 H new ATOM 0 HA HIS A 107 5.058 4.704 8.076 1.00 0.00 H new ATOM 0 HB2 HIS A 107 4.488 2.043 7.342 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.839 1.892 8.448 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.477 4.907 9.185 1.00 0.00 H new ATOM 0 HE1 HIS A 107 2.535 1.876 11.969 1.00 0.00 H new ATOM 0 HE2 HIS A 107 2.117 4.331 11.366 1.00 0.00 H new ATOM 250 N SER A 108 7.388 3.977 9.259 1.00 0.00 N ATOM 251 CA SER A 108 8.815 4.074 9.675 1.00 0.00 C ATOM 252 C SER A 108 9.190 2.865 10.534 1.00 0.00 C ATOM 253 O SER A 108 9.197 2.932 11.746 1.00 0.00 O ATOM 254 CB SER A 108 9.022 5.356 10.482 1.00 0.00 C ATOM 255 OG SER A 108 8.101 6.343 10.038 1.00 0.00 O ATOM 0 H SER A 108 6.714 3.919 10.023 1.00 0.00 H new ATOM 0 HA SER A 108 9.448 4.093 8.788 1.00 0.00 H new ATOM 0 HB2 SER A 108 8.877 5.158 11.544 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.044 5.715 10.361 1.00 0.00 H new ATOM 0 HG SER A 108 8.230 7.166 10.554 1.00 0.00 H new ATOM 261 N TYR A 109 9.512 1.759 9.917 1.00 0.00 N ATOM 262 CA TYR A 109 9.895 0.554 10.705 1.00 0.00 C ATOM 263 C TYR A 109 11.396 0.606 11.003 1.00 0.00 C ATOM 264 O TYR A 109 11.979 1.667 11.113 1.00 0.00 O ATOM 265 CB TYR A 109 9.590 -0.716 9.902 1.00 0.00 C ATOM 266 CG TYR A 109 8.414 -0.481 8.984 1.00 0.00 C ATOM 267 CD1 TYR A 109 7.108 -0.689 9.449 1.00 0.00 C ATOM 268 CD2 TYR A 109 8.628 -0.065 7.663 1.00 0.00 C ATOM 269 CE1 TYR A 109 6.019 -0.479 8.596 1.00 0.00 C ATOM 270 CE2 TYR A 109 7.538 0.143 6.808 1.00 0.00 C ATOM 271 CZ TYR A 109 6.232 -0.063 7.274 1.00 0.00 C ATOM 272 OH TYR A 109 5.158 0.142 6.433 1.00 0.00 O ATOM 0 H TYR A 109 9.526 1.639 8.904 1.00 0.00 H new ATOM 0 HA TYR A 109 9.327 0.538 11.635 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.464 -1.005 9.319 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.372 -1.541 10.580 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.942 -1.012 10.466 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.634 0.095 7.304 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.013 -0.637 8.956 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.704 0.462 5.790 1.00 0.00 H new ATOM 0 HH TYR A 109 5.481 0.429 5.553 1.00 0.00 H new ATOM 282 N SER A 110 12.025 -0.529 11.125 1.00 0.00 N ATOM 283 CA SER A 110 13.489 -0.544 11.404 1.00 0.00 C ATOM 284 C SER A 110 14.250 -0.722 10.088 1.00 0.00 C ATOM 285 O SER A 110 15.456 -0.583 10.031 1.00 0.00 O ATOM 286 CB SER A 110 13.818 -1.705 12.345 1.00 0.00 C ATOM 287 OG SER A 110 15.122 -2.191 12.053 1.00 0.00 O ATOM 0 H SER A 110 11.589 -1.448 11.044 1.00 0.00 H new ATOM 0 HA SER A 110 13.782 0.395 11.873 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.764 -1.374 13.382 1.00 0.00 H new ATOM 0 HB3 SER A 110 13.085 -2.503 12.227 1.00 0.00 H new ATOM 0 HG SER A 110 15.337 -2.934 12.655 1.00 0.00 H new ATOM 293 N SER A 111 13.550 -1.029 9.029 1.00 0.00 N ATOM 294 CA SER A 111 14.222 -1.216 7.712 1.00 0.00 C ATOM 295 C SER A 111 13.155 -1.290 6.616 1.00 0.00 C ATOM 296 O SER A 111 11.983 -1.427 6.907 1.00 0.00 O ATOM 297 CB SER A 111 15.028 -2.516 7.735 1.00 0.00 C ATOM 298 OG SER A 111 15.463 -2.774 9.063 1.00 0.00 O ATOM 0 H SER A 111 12.538 -1.159 9.020 1.00 0.00 H new ATOM 0 HA SER A 111 14.893 -0.380 7.514 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.417 -3.343 7.373 1.00 0.00 H new ATOM 0 HB3 SER A 111 15.886 -2.437 7.068 1.00 0.00 H new ATOM 0 HG SER A 111 16.015 -2.028 9.377 1.00 0.00 H new ATOM 304 N PRO A 112 13.590 -1.196 5.386 1.00 0.00 N ATOM 305 CA PRO A 112 12.687 -1.248 4.225 1.00 0.00 C ATOM 306 C PRO A 112 12.248 -2.689 3.947 1.00 0.00 C ATOM 307 O PRO A 112 13.046 -3.605 3.939 1.00 0.00 O ATOM 308 CB PRO A 112 13.539 -0.694 3.079 1.00 0.00 C ATOM 309 CG PRO A 112 15.015 -0.875 3.503 1.00 0.00 C ATOM 310 CD PRO A 112 15.016 -1.031 5.038 1.00 0.00 C ATOM 0 HA PRO A 112 11.767 -0.682 4.372 1.00 0.00 H new ATOM 0 HB2 PRO A 112 13.334 -1.227 2.150 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.313 0.357 2.900 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.451 -1.752 3.024 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.613 -0.016 3.200 1.00 0.00 H new ATOM 0 HD2 PRO A 112 15.605 -1.894 5.350 1.00 0.00 H new ATOM 0 HD3 PRO A 112 15.447 -0.157 5.527 1.00 0.00 H new ATOM 318 N THR A 113 10.977 -2.890 3.723 1.00 0.00 N ATOM 319 CA THR A 113 10.470 -4.264 3.447 1.00 0.00 C ATOM 320 C THR A 113 10.529 -4.531 1.946 1.00 0.00 C ATOM 321 O THR A 113 10.931 -3.689 1.171 1.00 0.00 O ATOM 322 CB THR A 113 9.022 -4.376 3.930 1.00 0.00 C ATOM 323 OG1 THR A 113 8.825 -3.502 5.033 1.00 0.00 O ATOM 324 CG2 THR A 113 8.734 -5.814 4.359 1.00 0.00 C ATOM 0 H THR A 113 10.266 -2.159 3.719 1.00 0.00 H new ATOM 0 HA THR A 113 11.085 -4.995 3.971 1.00 0.00 H new ATOM 0 HB THR A 113 8.346 -4.100 3.121 1.00 0.00 H new ATOM 0 HG1 THR A 113 7.898 -3.571 5.343 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.702 -5.892 4.703 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.886 -6.484 3.512 1.00 0.00 H new ATOM 0 HG23 THR A 113 9.408 -6.094 5.169 1.00 0.00 H new ATOM 332 N PHE A 114 10.132 -5.699 1.532 1.00 0.00 N ATOM 333 CA PHE A 114 10.170 -6.021 0.078 1.00 0.00 C ATOM 334 C PHE A 114 8.966 -5.382 -0.616 1.00 0.00 C ATOM 335 O PHE A 114 8.173 -4.698 -0.001 1.00 0.00 O ATOM 336 CB PHE A 114 10.125 -7.538 -0.112 1.00 0.00 C ATOM 337 CG PHE A 114 11.500 -8.116 0.131 1.00 0.00 C ATOM 338 CD1 PHE A 114 12.006 -8.195 1.435 1.00 0.00 C ATOM 339 CD2 PHE A 114 12.268 -8.571 -0.948 1.00 0.00 C ATOM 340 CE1 PHE A 114 13.282 -8.729 1.659 1.00 0.00 C ATOM 341 CE2 PHE A 114 13.544 -9.106 -0.724 1.00 0.00 C ATOM 342 CZ PHE A 114 14.051 -9.185 0.580 1.00 0.00 C ATOM 0 H PHE A 114 9.783 -6.444 2.135 1.00 0.00 H new ATOM 0 HA PHE A 114 11.090 -5.630 -0.357 1.00 0.00 H new ATOM 0 HB2 PHE A 114 9.406 -7.981 0.577 1.00 0.00 H new ATOM 0 HB3 PHE A 114 9.790 -7.779 -1.121 1.00 0.00 H new ATOM 0 HD1 PHE A 114 11.413 -7.845 2.267 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.877 -8.510 -1.953 1.00 0.00 H new ATOM 0 HE1 PHE A 114 13.673 -8.789 2.664 1.00 0.00 H new ATOM 0 HE2 PHE A 114 14.136 -9.457 -1.556 1.00 0.00 H new ATOM 0 HZ PHE A 114 15.034 -9.597 0.753 1.00 0.00 H new ATOM 352 N CYS A 115 8.829 -5.589 -1.898 1.00 0.00 N ATOM 353 CA CYS A 115 7.684 -4.981 -2.632 1.00 0.00 C ATOM 354 C CYS A 115 6.773 -6.080 -3.178 1.00 0.00 C ATOM 355 O CYS A 115 7.224 -7.071 -3.717 1.00 0.00 O ATOM 356 CB CYS A 115 8.226 -4.132 -3.780 1.00 0.00 C ATOM 357 SG CYS A 115 6.864 -3.455 -4.757 1.00 0.00 S ATOM 0 H CYS A 115 9.460 -6.152 -2.468 1.00 0.00 H new ATOM 0 HA CYS A 115 7.105 -4.353 -1.955 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.837 -3.321 -3.384 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.872 -4.737 -4.415 1.00 0.00 H new ATOM 0 HG CYS A 115 6.788 -2.172 -4.565 1.00 0.00 H new ATOM 362 N ASP A 116 5.490 -5.905 -3.033 1.00 0.00 N ATOM 363 CA ASP A 116 4.526 -6.932 -3.528 1.00 0.00 C ATOM 364 C ASP A 116 4.137 -6.631 -4.975 1.00 0.00 C ATOM 365 O ASP A 116 3.084 -7.020 -5.442 1.00 0.00 O ATOM 366 CB ASP A 116 3.268 -6.912 -2.665 1.00 0.00 C ATOM 367 CG ASP A 116 2.880 -5.466 -2.350 1.00 0.00 C ATOM 368 OD1 ASP A 116 2.965 -4.642 -3.245 1.00 0.00 O ATOM 369 OD2 ASP A 116 2.502 -5.207 -1.219 1.00 0.00 O ATOM 0 H ASP A 116 5.063 -5.091 -2.591 1.00 0.00 H new ATOM 0 HA ASP A 116 4.999 -7.912 -3.474 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.451 -7.413 -3.185 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.442 -7.462 -1.740 1.00 0.00 H new ATOM 374 N HIS A 117 4.978 -5.945 -5.684 1.00 0.00 N ATOM 375 CA HIS A 117 4.669 -5.614 -7.102 1.00 0.00 C ATOM 376 C HIS A 117 5.906 -5.874 -7.961 1.00 0.00 C ATOM 377 O HIS A 117 5.812 -6.339 -9.080 1.00 0.00 O ATOM 378 CB HIS A 117 4.273 -4.140 -7.209 1.00 0.00 C ATOM 379 CG HIS A 117 4.089 -3.774 -8.656 1.00 0.00 C ATOM 380 ND1 HIS A 117 2.968 -4.154 -9.378 1.00 0.00 N ATOM 381 CD2 HIS A 117 4.873 -3.062 -9.529 1.00 0.00 C ATOM 382 CE1 HIS A 117 3.108 -3.674 -10.628 1.00 0.00 C ATOM 383 NE2 HIS A 117 4.252 -3.000 -10.773 1.00 0.00 N ATOM 0 H HIS A 117 5.874 -5.595 -5.344 1.00 0.00 H new ATOM 0 HA HIS A 117 3.844 -6.235 -7.451 1.00 0.00 H new ATOM 0 HB2 HIS A 117 3.351 -3.959 -6.657 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.042 -3.512 -6.759 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.827 -2.617 -9.287 1.00 0.00 H new ATOM 0 HE1 HIS A 117 2.384 -3.816 -11.417 1.00 0.00 H new ATOM 0 HE2 HIS A 117 4.597 -2.539 -11.615 1.00 0.00 H new ATOM 391 N CYS A 118 7.068 -5.581 -7.443 1.00 0.00 N ATOM 392 CA CYS A 118 8.311 -5.814 -8.227 1.00 0.00 C ATOM 393 C CYS A 118 9.163 -6.874 -7.524 1.00 0.00 C ATOM 394 O CYS A 118 10.154 -7.337 -8.053 1.00 0.00 O ATOM 395 CB CYS A 118 9.099 -4.507 -8.337 1.00 0.00 C ATOM 396 SG CYS A 118 9.392 -3.834 -6.682 1.00 0.00 S ATOM 0 H CYS A 118 7.209 -5.191 -6.511 1.00 0.00 H new ATOM 0 HA CYS A 118 8.053 -6.162 -9.227 1.00 0.00 H new ATOM 0 HB2 CYS A 118 10.049 -4.684 -8.842 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.547 -3.787 -8.941 1.00 0.00 H new ATOM 0 HG CYS A 118 8.253 -3.609 -6.097 1.00 0.00 H new ATOM 401 N GLY A 119 8.784 -7.267 -6.336 1.00 0.00 N ATOM 402 CA GLY A 119 9.573 -8.300 -5.607 1.00 0.00 C ATOM 403 C GLY A 119 10.984 -7.776 -5.339 1.00 0.00 C ATOM 404 O GLY A 119 11.965 -8.441 -5.604 1.00 0.00 O ATOM 0 H GLY A 119 7.964 -6.917 -5.841 1.00 0.00 H new ATOM 0 HA2 GLY A 119 9.082 -8.549 -4.666 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.621 -9.217 -6.194 1.00 0.00 H new ATOM 408 N SER A 120 11.094 -6.587 -4.815 1.00 0.00 N ATOM 409 CA SER A 120 12.443 -6.022 -4.530 1.00 0.00 C ATOM 410 C SER A 120 12.419 -5.302 -3.180 1.00 0.00 C ATOM 411 O SER A 120 11.382 -4.872 -2.714 1.00 0.00 O ATOM 412 CB SER A 120 12.822 -5.028 -5.629 1.00 0.00 C ATOM 413 OG SER A 120 13.017 -5.731 -6.849 1.00 0.00 O ATOM 0 H SER A 120 10.309 -5.982 -4.572 1.00 0.00 H new ATOM 0 HA SER A 120 13.176 -6.829 -4.500 1.00 0.00 H new ATOM 0 HB2 SER A 120 12.037 -4.282 -5.747 1.00 0.00 H new ATOM 0 HB3 SER A 120 13.731 -4.493 -5.354 1.00 0.00 H new ATOM 0 HG SER A 120 13.259 -5.097 -7.557 1.00 0.00 H new ATOM 419 N LEU A 121 13.553 -5.167 -2.548 1.00 0.00 N ATOM 420 CA LEU A 121 13.589 -4.472 -1.232 1.00 0.00 C ATOM 421 C LEU A 121 13.636 -2.961 -1.448 1.00 0.00 C ATOM 422 O LEU A 121 14.450 -2.451 -2.191 1.00 0.00 O ATOM 423 CB LEU A 121 14.827 -4.911 -0.448 1.00 0.00 C ATOM 424 CG LEU A 121 14.475 -6.116 0.426 1.00 0.00 C ATOM 425 CD1 LEU A 121 15.746 -6.900 0.754 1.00 0.00 C ATOM 426 CD2 LEU A 121 13.828 -5.626 1.725 1.00 0.00 C ATOM 0 H LEU A 121 14.453 -5.507 -2.886 1.00 0.00 H new ATOM 0 HA LEU A 121 12.693 -4.731 -0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.633 -5.169 -1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 121 15.188 -4.091 0.173 1.00 0.00 H new ATOM 0 HG LEU A 121 13.780 -6.763 -0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 121 15.494 -7.758 1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 121 16.209 -7.246 -0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 121 16.443 -6.256 1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 121 13.575 -6.482 2.351 1.00 0.00 H new ATOM 0 HD22 LEU A 121 14.526 -4.980 2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 121 12.922 -5.067 1.492 1.00 0.00 H new ATOM 438 N LEU A 122 12.764 -2.242 -0.799 1.00 0.00 N ATOM 439 CA LEU A 122 12.746 -0.761 -0.954 1.00 0.00 C ATOM 440 C LEU A 122 14.141 -0.202 -0.667 1.00 0.00 C ATOM 441 O LEU A 122 14.461 0.148 0.452 1.00 0.00 O ATOM 442 CB LEU A 122 11.745 -0.165 0.038 1.00 0.00 C ATOM 443 CG LEU A 122 10.376 -0.817 -0.163 1.00 0.00 C ATOM 444 CD1 LEU A 122 9.630 -0.855 1.171 1.00 0.00 C ATOM 445 CD2 LEU A 122 9.567 -0.001 -1.173 1.00 0.00 C ATOM 0 H LEU A 122 12.059 -2.618 -0.165 1.00 0.00 H new ATOM 0 HA LEU A 122 12.454 -0.502 -1.972 1.00 0.00 H new ATOM 0 HB2 LEU A 122 12.090 -0.326 1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 122 11.671 0.913 -0.107 1.00 0.00 H new ATOM 0 HG LEU A 122 10.508 -1.832 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.654 -1.319 1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 122 10.206 -1.434 1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 122 9.498 0.161 1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.591 -0.465 -1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 122 9.435 1.014 -0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 122 10.098 0.030 -2.124 1.00 0.00 H new ATOM 457 N TYR A 123 14.974 -0.114 -1.667 1.00 0.00 N ATOM 458 CA TYR A 123 16.346 0.423 -1.446 1.00 0.00 C ATOM 459 C TYR A 123 16.252 1.797 -0.783 1.00 0.00 C ATOM 460 O TYR A 123 15.178 2.324 -0.574 1.00 0.00 O ATOM 461 CB TYR A 123 17.067 0.554 -2.789 1.00 0.00 C ATOM 462 CG TYR A 123 17.095 -0.789 -3.481 1.00 0.00 C ATOM 463 CD1 TYR A 123 18.072 -1.734 -3.136 1.00 0.00 C ATOM 464 CD2 TYR A 123 16.147 -1.089 -4.467 1.00 0.00 C ATOM 465 CE1 TYR A 123 18.098 -2.979 -3.779 1.00 0.00 C ATOM 466 CE2 TYR A 123 16.173 -2.334 -5.109 1.00 0.00 C ATOM 467 CZ TYR A 123 17.149 -3.279 -4.765 1.00 0.00 C ATOM 468 OH TYR A 123 17.175 -4.505 -5.398 1.00 0.00 O ATOM 0 H TYR A 123 14.764 -0.390 -2.626 1.00 0.00 H new ATOM 0 HA TYR A 123 16.903 -0.257 -0.801 1.00 0.00 H new ATOM 0 HB2 TYR A 123 16.560 1.287 -3.416 1.00 0.00 H new ATOM 0 HB3 TYR A 123 18.083 0.916 -2.634 1.00 0.00 H new ATOM 0 HD1 TYR A 123 18.803 -1.503 -2.376 1.00 0.00 H new ATOM 0 HD2 TYR A 123 15.395 -0.360 -4.733 1.00 0.00 H new ATOM 0 HE1 TYR A 123 18.850 -3.708 -3.514 1.00 0.00 H new ATOM 0 HE2 TYR A 123 15.441 -2.565 -5.869 1.00 0.00 H new ATOM 0 HH TYR A 123 16.448 -4.550 -6.053 1.00 0.00 H new ATOM 478 N GLY A 124 17.369 2.383 -0.450 1.00 0.00 N ATOM 479 CA GLY A 124 17.343 3.726 0.198 1.00 0.00 C ATOM 480 C GLY A 124 16.574 4.705 -0.690 1.00 0.00 C ATOM 481 O GLY A 124 16.142 5.752 -0.248 1.00 0.00 O ATOM 0 H GLY A 124 18.299 1.991 -0.598 1.00 0.00 H new ATOM 0 HA2 GLY A 124 16.871 3.660 1.178 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.360 4.085 0.357 1.00 0.00 H new ATOM 485 N LEU A 125 16.397 4.374 -1.941 1.00 0.00 N ATOM 486 CA LEU A 125 15.656 5.285 -2.856 1.00 0.00 C ATOM 487 C LEU A 125 14.388 5.789 -2.162 1.00 0.00 C ATOM 488 O LEU A 125 13.870 6.840 -2.483 1.00 0.00 O ATOM 489 CB LEU A 125 15.273 4.527 -4.130 1.00 0.00 C ATOM 490 CG LEU A 125 16.455 4.532 -5.102 1.00 0.00 C ATOM 491 CD1 LEU A 125 16.197 3.526 -6.226 1.00 0.00 C ATOM 492 CD2 LEU A 125 16.617 5.932 -5.699 1.00 0.00 C ATOM 0 H LEU A 125 16.734 3.511 -2.368 1.00 0.00 H new ATOM 0 HA LEU A 125 16.290 6.134 -3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 125 14.994 3.502 -3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 125 14.404 4.992 -4.595 1.00 0.00 H new ATOM 0 HG LEU A 125 17.365 4.255 -4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 125 17.039 3.530 -6.918 1.00 0.00 H new ATOM 0 HD12 LEU A 125 16.080 2.529 -5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 125 15.288 3.802 -6.760 1.00 0.00 H new ATOM 0 HD21 LEU A 125 17.459 5.937 -6.392 1.00 0.00 H new ATOM 0 HD22 LEU A 125 15.707 6.208 -6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 125 16.801 6.650 -4.899 1.00 0.00 H new ATOM 504 N VAL A 126 13.882 5.048 -1.213 1.00 0.00 N ATOM 505 CA VAL A 126 12.649 5.490 -0.504 1.00 0.00 C ATOM 506 C VAL A 126 12.868 5.387 1.007 1.00 0.00 C ATOM 507 O VAL A 126 13.450 4.438 1.494 1.00 0.00 O ATOM 508 CB VAL A 126 11.478 4.594 -0.912 1.00 0.00 C ATOM 509 CG1 VAL A 126 10.870 5.114 -2.217 1.00 0.00 C ATOM 510 CG2 VAL A 126 11.979 3.164 -1.120 1.00 0.00 C ATOM 0 H VAL A 126 14.269 4.158 -0.899 1.00 0.00 H new ATOM 0 HA VAL A 126 12.425 6.523 -0.770 1.00 0.00 H new ATOM 0 HB VAL A 126 10.722 4.604 -0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 126 10.035 4.477 -2.509 1.00 0.00 H new ATOM 0 HG12 VAL A 126 10.514 6.134 -2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 126 11.627 5.102 -3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 126 11.145 2.525 -1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 126 12.735 3.154 -1.905 1.00 0.00 H new ATOM 0 HG23 VAL A 126 12.415 2.793 -0.192 1.00 0.00 H new ATOM 520 N HIS A 127 12.409 6.357 1.753 1.00 0.00 N ATOM 521 CA HIS A 127 12.593 6.309 3.231 1.00 0.00 C ATOM 522 C HIS A 127 12.283 4.898 3.730 1.00 0.00 C ATOM 523 O HIS A 127 13.150 4.188 4.198 1.00 0.00 O ATOM 524 CB HIS A 127 11.644 7.307 3.900 1.00 0.00 C ATOM 525 CG HIS A 127 11.848 7.266 5.390 1.00 0.00 C ATOM 526 ND1 HIS A 127 11.008 7.929 6.271 1.00 0.00 N ATOM 527 CD2 HIS A 127 12.792 6.643 6.169 1.00 0.00 C ATOM 528 CE1 HIS A 127 11.459 7.692 7.517 1.00 0.00 C ATOM 529 NE2 HIS A 127 12.544 6.914 7.512 1.00 0.00 N ATOM 0 H HIS A 127 11.916 7.178 1.403 1.00 0.00 H new ATOM 0 HA HIS A 127 13.622 6.569 3.479 1.00 0.00 H new ATOM 0 HB2 HIS A 127 11.831 8.313 3.523 1.00 0.00 H new ATOM 0 HB3 HIS A 127 10.610 7.063 3.656 1.00 0.00 H new ATOM 0 HD2 HIS A 127 13.603 6.035 5.797 1.00 0.00 H new ATOM 0 HE1 HIS A 127 10.999 8.084 8.412 1.00 0.00 H new ATOM 0 HE2 HIS A 127 13.077 6.588 8.319 1.00 0.00 H new ATOM 537 N GLN A 128 11.050 4.483 3.627 1.00 0.00 N ATOM 538 CA GLN A 128 10.682 3.118 4.088 1.00 0.00 C ATOM 539 C GLN A 128 9.763 2.470 3.050 1.00 0.00 C ATOM 540 O GLN A 128 9.874 2.724 1.867 1.00 0.00 O ATOM 541 CB GLN A 128 9.953 3.210 5.432 1.00 0.00 C ATOM 542 CG GLN A 128 10.521 4.376 6.244 1.00 0.00 C ATOM 543 CD GLN A 128 9.645 5.614 6.042 1.00 0.00 C ATOM 544 OE1 GLN A 128 9.329 5.975 4.926 1.00 0.00 O ATOM 545 NE2 GLN A 128 9.233 6.282 7.085 1.00 0.00 N ATOM 0 H GLN A 128 10.282 5.033 3.243 1.00 0.00 H new ATOM 0 HA GLN A 128 11.582 2.516 4.208 1.00 0.00 H new ATOM 0 HB2 GLN A 128 8.885 3.353 5.269 1.00 0.00 H new ATOM 0 HB3 GLN A 128 10.069 2.278 5.985 1.00 0.00 H new ATOM 0 HG2 GLN A 128 10.558 4.113 7.301 1.00 0.00 H new ATOM 0 HG3 GLN A 128 11.544 4.586 5.931 1.00 0.00 H new ATOM 0 HE21 GLN A 128 9.498 5.979 8.022 1.00 0.00 H new ATOM 0 HE22 GLN A 128 8.646 7.107 6.963 1.00 0.00 H new ATOM 554 N GLY A 129 8.855 1.638 3.479 1.00 0.00 N ATOM 555 CA GLY A 129 7.933 0.982 2.511 1.00 0.00 C ATOM 556 C GLY A 129 6.573 1.680 2.556 1.00 0.00 C ATOM 557 O GLY A 129 6.185 2.235 3.564 1.00 0.00 O ATOM 0 H GLY A 129 8.712 1.384 4.457 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.348 1.033 1.504 1.00 0.00 H new ATOM 0 HA3 GLY A 129 7.821 -0.074 2.756 1.00 0.00 H new ATOM 561 N MET A 130 5.848 1.659 1.472 1.00 0.00 N ATOM 562 CA MET A 130 4.516 2.326 1.458 1.00 0.00 C ATOM 563 C MET A 130 3.444 1.331 1.903 1.00 0.00 C ATOM 564 O MET A 130 3.025 0.476 1.149 1.00 0.00 O ATOM 565 CB MET A 130 4.202 2.808 0.040 1.00 0.00 C ATOM 566 CG MET A 130 5.464 3.401 -0.588 1.00 0.00 C ATOM 567 SD MET A 130 5.089 5.038 -1.258 1.00 0.00 S ATOM 568 CE MET A 130 6.315 5.957 -0.297 1.00 0.00 C ATOM 0 H MET A 130 6.119 1.210 0.597 1.00 0.00 H new ATOM 0 HA MET A 130 4.529 3.177 2.138 1.00 0.00 H new ATOM 0 HB2 MET A 130 3.837 1.978 -0.565 1.00 0.00 H new ATOM 0 HB3 MET A 130 3.410 3.556 0.066 1.00 0.00 H new ATOM 0 HG2 MET A 130 6.255 3.474 0.158 1.00 0.00 H new ATOM 0 HG3 MET A 130 5.831 2.747 -1.379 1.00 0.00 H new ATOM 0 HE1 MET A 130 5.810 6.550 0.465 1.00 0.00 H new ATOM 0 HE2 MET A 130 7.000 5.258 0.183 1.00 0.00 H new ATOM 0 HE3 MET A 130 6.875 6.618 -0.959 1.00 0.00 H new ATOM 578 N LYS A 131 2.997 1.435 3.123 1.00 0.00 N ATOM 579 CA LYS A 131 1.952 0.495 3.612 1.00 0.00 C ATOM 580 C LYS A 131 0.575 1.107 3.396 1.00 0.00 C ATOM 581 O LYS A 131 0.280 2.188 3.864 1.00 0.00 O ATOM 582 CB LYS A 131 2.157 0.227 5.098 1.00 0.00 C ATOM 583 CG LYS A 131 1.580 -1.143 5.458 1.00 0.00 C ATOM 584 CD LYS A 131 2.283 -1.683 6.705 1.00 0.00 C ATOM 585 CE LYS A 131 1.253 -1.914 7.812 1.00 0.00 C ATOM 586 NZ LYS A 131 1.290 -3.343 8.234 1.00 0.00 N ATOM 0 H LYS A 131 3.310 2.129 3.802 1.00 0.00 H new ATOM 0 HA LYS A 131 2.026 -0.442 3.061 1.00 0.00 H new ATOM 0 HB2 LYS A 131 3.219 0.260 5.340 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.671 1.004 5.688 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.508 -1.062 5.639 1.00 0.00 H new ATOM 0 HG3 LYS A 131 1.711 -1.834 4.626 1.00 0.00 H new ATOM 0 HD2 LYS A 131 2.796 -2.616 6.471 1.00 0.00 H new ATOM 0 HD3 LYS A 131 3.042 -0.977 7.042 1.00 0.00 H new ATOM 0 HE2 LYS A 131 1.466 -1.267 8.663 1.00 0.00 H new ATOM 0 HE3 LYS A 131 0.256 -1.654 7.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 0.590 -3.501 8.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 1.067 -3.951 7.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 2.239 -3.575 8.590 1.00 0.00 H new ATOM 600 N CYS A 132 -0.272 0.418 2.696 1.00 0.00 N ATOM 601 CA CYS A 132 -1.637 0.951 2.447 1.00 0.00 C ATOM 602 C CYS A 132 -2.397 1.023 3.770 1.00 0.00 C ATOM 603 O CYS A 132 -2.384 0.095 4.555 1.00 0.00 O ATOM 604 CB CYS A 132 -2.375 0.034 1.477 1.00 0.00 C ATOM 605 SG CYS A 132 -4.000 0.734 1.100 1.00 0.00 S ATOM 0 H CYS A 132 -0.080 -0.495 2.283 1.00 0.00 H new ATOM 0 HA CYS A 132 -1.568 1.948 2.012 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -1.797 -0.084 0.561 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -2.487 -0.959 1.913 1.00 0.00 H new ATOM 0 HG CYS A 132 -4.017 1.153 -0.130 1.00 0.00 H new ATOM 610 N SER A 133 -3.057 2.117 4.029 1.00 0.00 N ATOM 611 CA SER A 133 -3.812 2.247 5.309 1.00 0.00 C ATOM 612 C SER A 133 -5.190 1.595 5.168 1.00 0.00 C ATOM 613 O SER A 133 -6.074 1.815 5.973 1.00 0.00 O ATOM 614 CB SER A 133 -3.982 3.727 5.651 1.00 0.00 C ATOM 615 OG SER A 133 -2.712 4.365 5.623 1.00 0.00 O ATOM 0 H SER A 133 -3.107 2.927 3.411 1.00 0.00 H new ATOM 0 HA SER A 133 -3.259 1.748 6.105 1.00 0.00 H new ATOM 0 HB2 SER A 133 -4.656 4.202 4.938 1.00 0.00 H new ATOM 0 HB3 SER A 133 -4.434 3.835 6.637 1.00 0.00 H new ATOM 0 HG SER A 133 -2.818 5.315 5.840 1.00 0.00 H new ATOM 621 N CYS A 134 -5.387 0.799 4.152 1.00 0.00 N ATOM 622 CA CYS A 134 -6.715 0.144 3.968 1.00 0.00 C ATOM 623 C CYS A 134 -6.534 -1.330 3.582 1.00 0.00 C ATOM 624 O CYS A 134 -7.386 -2.153 3.850 1.00 0.00 O ATOM 625 CB CYS A 134 -7.485 0.866 2.862 1.00 0.00 C ATOM 626 SG CYS A 134 -8.947 1.665 3.566 1.00 0.00 S ATOM 0 H CYS A 134 -4.689 0.574 3.443 1.00 0.00 H new ATOM 0 HA CYS A 134 -7.270 0.198 4.905 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -6.846 1.609 2.385 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -7.782 0.157 2.089 1.00 0.00 H new ATOM 0 HG CYS A 134 -9.806 1.908 2.621 1.00 0.00 H new ATOM 632 N CYS A 135 -5.444 -1.673 2.949 1.00 0.00 N ATOM 633 CA CYS A 135 -5.238 -3.094 2.549 1.00 0.00 C ATOM 634 C CYS A 135 -3.880 -3.594 3.060 1.00 0.00 C ATOM 635 O CYS A 135 -3.574 -4.767 2.981 1.00 0.00 O ATOM 636 CB CYS A 135 -5.292 -3.202 1.022 1.00 0.00 C ATOM 637 SG CYS A 135 -4.023 -2.138 0.292 1.00 0.00 S ATOM 0 H CYS A 135 -4.691 -1.034 2.693 1.00 0.00 H new ATOM 0 HA CYS A 135 -6.024 -3.710 2.986 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -5.135 -4.236 0.715 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -6.278 -2.909 0.661 1.00 0.00 H new ATOM 0 HG CYS A 135 -4.257 -0.900 0.613 1.00 0.00 H new ATOM 642 N GLU A 136 -3.069 -2.720 3.593 1.00 0.00 N ATOM 643 CA GLU A 136 -1.737 -3.152 4.118 1.00 0.00 C ATOM 644 C GLU A 136 -0.813 -3.534 2.958 1.00 0.00 C ATOM 645 O GLU A 136 0.219 -4.148 3.147 1.00 0.00 O ATOM 646 CB GLU A 136 -1.925 -4.361 5.038 1.00 0.00 C ATOM 647 CG GLU A 136 -3.093 -4.100 5.991 1.00 0.00 C ATOM 648 CD GLU A 136 -2.695 -3.028 7.006 1.00 0.00 C ATOM 649 OE1 GLU A 136 -1.505 -2.820 7.182 1.00 0.00 O ATOM 650 OE2 GLU A 136 -3.585 -2.431 7.589 1.00 0.00 O ATOM 0 H GLU A 136 -3.270 -1.724 3.689 1.00 0.00 H new ATOM 0 HA GLU A 136 -1.287 -2.330 4.674 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -2.118 -5.256 4.446 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -1.013 -4.545 5.606 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -3.969 -3.776 5.429 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -3.368 -5.020 6.507 1.00 0.00 H new ATOM 657 N MET A 137 -1.174 -3.172 1.761 1.00 0.00 N ATOM 658 CA MET A 137 -0.326 -3.504 0.580 1.00 0.00 C ATOM 659 C MET A 137 0.971 -2.691 0.633 1.00 0.00 C ATOM 660 O MET A 137 0.953 -1.477 0.636 1.00 0.00 O ATOM 661 CB MET A 137 -1.096 -3.153 -0.694 1.00 0.00 C ATOM 662 CG MET A 137 -0.470 -3.854 -1.899 1.00 0.00 C ATOM 663 SD MET A 137 -0.964 -2.986 -3.408 1.00 0.00 S ATOM 664 CE MET A 137 -0.959 -4.419 -4.509 1.00 0.00 C ATOM 0 H MET A 137 -2.027 -2.656 1.546 1.00 0.00 H new ATOM 0 HA MET A 137 -0.082 -4.566 0.587 1.00 0.00 H new ATOM 0 HB2 MET A 137 -2.139 -3.452 -0.591 1.00 0.00 H new ATOM 0 HB3 MET A 137 -1.088 -2.074 -0.847 1.00 0.00 H new ATOM 0 HG2 MET A 137 0.616 -3.862 -1.808 1.00 0.00 H new ATOM 0 HG3 MET A 137 -0.794 -4.894 -1.940 1.00 0.00 H new ATOM 0 HE1 MET A 137 -1.241 -4.106 -5.514 1.00 0.00 H new ATOM 0 HE2 MET A 137 0.039 -4.857 -4.532 1.00 0.00 H new ATOM 0 HE3 MET A 137 -1.672 -5.159 -4.146 1.00 0.00 H new ATOM 674 N ASN A 138 2.097 -3.351 0.673 1.00 0.00 N ATOM 675 CA ASN A 138 3.392 -2.615 0.723 1.00 0.00 C ATOM 676 C ASN A 138 3.990 -2.538 -0.684 1.00 0.00 C ATOM 677 O ASN A 138 4.238 -3.545 -1.316 1.00 0.00 O ATOM 678 CB ASN A 138 4.363 -3.351 1.649 1.00 0.00 C ATOM 679 CG ASN A 138 4.153 -2.878 3.089 1.00 0.00 C ATOM 680 OD1 ASN A 138 4.015 -1.697 3.339 1.00 0.00 O ATOM 681 ND2 ASN A 138 4.125 -3.756 4.054 1.00 0.00 N ATOM 0 H ASN A 138 2.176 -4.368 0.673 1.00 0.00 H new ATOM 0 HA ASN A 138 3.222 -1.607 1.102 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.202 -4.427 1.581 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.391 -3.163 1.339 1.00 0.00 H new ATOM 0 HD21 ASN A 138 3.987 -3.451 5.017 1.00 0.00 H new ATOM 0 HD22 ASN A 138 4.241 -4.748 3.845 1.00 0.00 H new ATOM 688 N VAL A 139 4.221 -1.353 -1.181 1.00 0.00 N ATOM 689 CA VAL A 139 4.800 -1.222 -2.549 1.00 0.00 C ATOM 690 C VAL A 139 5.845 -0.103 -2.563 1.00 0.00 C ATOM 691 O VAL A 139 6.161 0.481 -1.544 1.00 0.00 O ATOM 692 CB VAL A 139 3.688 -0.886 -3.544 1.00 0.00 C ATOM 693 CG1 VAL A 139 3.030 -2.178 -4.030 1.00 0.00 C ATOM 694 CG2 VAL A 139 2.639 -0.006 -2.860 1.00 0.00 C ATOM 0 H VAL A 139 4.035 -0.473 -0.701 1.00 0.00 H new ATOM 0 HA VAL A 139 5.272 -2.163 -2.830 1.00 0.00 H new ATOM 0 HB VAL A 139 4.112 -0.352 -4.394 1.00 0.00 H new ATOM 0 HG11 VAL A 139 2.238 -1.938 -4.739 1.00 0.00 H new ATOM 0 HG12 VAL A 139 3.776 -2.805 -4.518 1.00 0.00 H new ATOM 0 HG13 VAL A 139 2.607 -2.713 -3.180 1.00 0.00 H new ATOM 0 HG21 VAL A 139 1.847 0.233 -3.569 1.00 0.00 H new ATOM 0 HG22 VAL A 139 2.215 -0.539 -2.009 1.00 0.00 H new ATOM 0 HG23 VAL A 139 3.107 0.916 -2.514 1.00 0.00 H new ATOM 704 N HIS A 140 6.380 0.200 -3.715 1.00 0.00 N ATOM 705 CA HIS A 140 7.403 1.280 -3.808 1.00 0.00 C ATOM 706 C HIS A 140 6.705 2.622 -4.030 1.00 0.00 C ATOM 707 O HIS A 140 5.525 2.679 -4.315 1.00 0.00 O ATOM 708 CB HIS A 140 8.336 0.999 -4.989 1.00 0.00 C ATOM 709 CG HIS A 140 9.369 -0.018 -4.590 1.00 0.00 C ATOM 710 ND1 HIS A 140 9.302 -1.339 -5.001 1.00 0.00 N ATOM 711 CD2 HIS A 140 10.500 0.081 -3.821 1.00 0.00 C ATOM 712 CE1 HIS A 140 10.367 -1.978 -4.480 1.00 0.00 C ATOM 713 NE2 HIS A 140 11.129 -1.159 -3.753 1.00 0.00 N ATOM 0 H HIS A 140 6.151 -0.256 -4.598 1.00 0.00 H new ATOM 0 HA HIS A 140 7.980 1.313 -2.884 1.00 0.00 H new ATOM 0 HB2 HIS A 140 7.761 0.633 -5.840 1.00 0.00 H new ATOM 0 HB3 HIS A 140 8.823 1.921 -5.307 1.00 0.00 H new ATOM 0 HD1 HIS A 140 8.579 -1.752 -5.590 1.00 0.00 H new ATOM 0 HD2 HIS A 140 10.849 0.983 -3.341 1.00 0.00 H new ATOM 0 HE1 HIS A 140 10.578 -3.026 -4.632 1.00 0.00 H new ATOM 720 N ARG A 141 7.426 3.703 -3.913 1.00 0.00 N ATOM 721 CA ARG A 141 6.802 5.037 -4.129 1.00 0.00 C ATOM 722 C ARG A 141 6.637 5.274 -5.631 1.00 0.00 C ATOM 723 O ARG A 141 5.931 6.167 -6.057 1.00 0.00 O ATOM 724 CB ARG A 141 7.694 6.126 -3.528 1.00 0.00 C ATOM 725 CG ARG A 141 8.938 6.312 -4.400 1.00 0.00 C ATOM 726 CD ARG A 141 9.772 7.475 -3.855 1.00 0.00 C ATOM 727 NE ARG A 141 9.811 8.573 -4.861 1.00 0.00 N ATOM 728 CZ ARG A 141 10.033 9.800 -4.478 1.00 0.00 C ATOM 729 NH1 ARG A 141 9.103 10.468 -3.854 1.00 0.00 N ATOM 730 NH2 ARG A 141 11.187 10.359 -4.717 1.00 0.00 N ATOM 0 H ARG A 141 8.418 3.720 -3.678 1.00 0.00 H new ATOM 0 HA ARG A 141 5.826 5.070 -3.644 1.00 0.00 H new ATOM 0 HB2 ARG A 141 7.143 7.064 -3.459 1.00 0.00 H new ATOM 0 HB3 ARG A 141 7.986 5.852 -2.514 1.00 0.00 H new ATOM 0 HG2 ARG A 141 9.531 5.397 -4.407 1.00 0.00 H new ATOM 0 HG3 ARG A 141 8.646 6.511 -5.431 1.00 0.00 H new ATOM 0 HD2 ARG A 141 9.343 7.838 -2.921 1.00 0.00 H new ATOM 0 HD3 ARG A 141 10.784 7.137 -3.630 1.00 0.00 H new ATOM 0 HE ARG A 141 9.664 8.365 -5.849 1.00 0.00 H new ATOM 0 HH11 ARG A 141 8.201 10.031 -3.665 1.00 0.00 H new ATOM 0 HH12 ARG A 141 9.278 11.427 -3.555 1.00 0.00 H new ATOM 0 HH21 ARG A 141 11.916 9.837 -5.203 1.00 0.00 H new ATOM 0 HH22 ARG A 141 11.361 11.318 -4.418 1.00 0.00 H new ATOM 744 N ARG A 142 7.279 4.472 -6.438 1.00 0.00 N ATOM 745 CA ARG A 142 7.159 4.640 -7.912 1.00 0.00 C ATOM 746 C ARG A 142 6.392 3.450 -8.498 1.00 0.00 C ATOM 747 O ARG A 142 6.109 3.402 -9.679 1.00 0.00 O ATOM 748 CB ARG A 142 8.556 4.704 -8.535 1.00 0.00 C ATOM 749 CG ARG A 142 9.365 3.480 -8.103 1.00 0.00 C ATOM 750 CD ARG A 142 10.685 3.442 -8.878 1.00 0.00 C ATOM 751 NE ARG A 142 10.403 3.274 -10.330 1.00 0.00 N ATOM 752 CZ ARG A 142 10.857 2.229 -10.966 1.00 0.00 C ATOM 753 NH1 ARG A 142 10.542 1.030 -10.557 1.00 0.00 N ATOM 754 NH2 ARG A 142 11.625 2.381 -12.010 1.00 0.00 N ATOM 0 H ARG A 142 7.882 3.707 -6.137 1.00 0.00 H new ATOM 0 HA ARG A 142 6.623 5.563 -8.131 1.00 0.00 H new ATOM 0 HB2 ARG A 142 8.480 4.737 -9.622 1.00 0.00 H new ATOM 0 HB3 ARG A 142 9.063 5.617 -8.223 1.00 0.00 H new ATOM 0 HG2 ARG A 142 9.561 3.520 -7.031 1.00 0.00 H new ATOM 0 HG3 ARG A 142 8.795 2.570 -8.289 1.00 0.00 H new ATOM 0 HD2 ARG A 142 11.245 4.362 -8.709 1.00 0.00 H new ATOM 0 HD3 ARG A 142 11.306 2.621 -8.520 1.00 0.00 H new ATOM 0 HE ARG A 142 9.855 3.976 -10.828 1.00 0.00 H new ATOM 0 HH11 ARG A 142 9.942 0.911 -9.741 1.00 0.00 H new ATOM 0 HH12 ARG A 142 10.896 0.212 -11.053 1.00 0.00 H new ATOM 0 HH21 ARG A 142 11.871 3.318 -12.330 1.00 0.00 H new ATOM 0 HH22 ARG A 142 11.979 1.563 -12.506 1.00 0.00 H new ATOM 768 N CYS A 143 6.048 2.491 -7.679 1.00 0.00 N ATOM 769 CA CYS A 143 5.297 1.308 -8.187 1.00 0.00 C ATOM 770 C CYS A 143 3.794 1.585 -8.096 1.00 0.00 C ATOM 771 O CYS A 143 2.987 0.882 -8.669 1.00 0.00 O ATOM 772 CB CYS A 143 5.641 0.082 -7.338 1.00 0.00 C ATOM 773 SG CYS A 143 7.198 -0.641 -7.916 1.00 0.00 S ATOM 0 H CYS A 143 6.255 2.477 -6.680 1.00 0.00 H new ATOM 0 HA CYS A 143 5.572 1.119 -9.225 1.00 0.00 H new ATOM 0 HB2 CYS A 143 5.728 0.366 -6.289 1.00 0.00 H new ATOM 0 HB3 CYS A 143 4.840 -0.654 -7.404 1.00 0.00 H new ATOM 0 HG CYS A 143 7.382 -1.792 -7.340 1.00 0.00 H new ATOM 778 N VAL A 144 3.414 2.607 -7.377 1.00 0.00 N ATOM 779 CA VAL A 144 1.966 2.931 -7.246 1.00 0.00 C ATOM 780 C VAL A 144 1.415 3.365 -8.606 1.00 0.00 C ATOM 781 O VAL A 144 0.292 3.063 -8.958 1.00 0.00 O ATOM 782 CB VAL A 144 1.788 4.069 -6.238 1.00 0.00 C ATOM 783 CG1 VAL A 144 0.328 4.527 -6.235 1.00 0.00 C ATOM 784 CG2 VAL A 144 2.168 3.575 -4.841 1.00 0.00 C ATOM 0 H VAL A 144 4.045 3.231 -6.875 1.00 0.00 H new ATOM 0 HA VAL A 144 1.426 2.050 -6.900 1.00 0.00 H new ATOM 0 HB VAL A 144 2.430 4.904 -6.517 1.00 0.00 H new ATOM 0 HG11 VAL A 144 0.202 5.337 -5.517 1.00 0.00 H new ATOM 0 HG12 VAL A 144 0.055 4.878 -7.230 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -0.315 3.692 -5.956 1.00 0.00 H new ATOM 0 HG21 VAL A 144 2.042 4.384 -4.122 1.00 0.00 H new ATOM 0 HG22 VAL A 144 1.525 2.739 -4.563 1.00 0.00 H new ATOM 0 HG23 VAL A 144 3.208 3.249 -4.841 1.00 0.00 H new ATOM 794 N ARG A 145 2.198 4.072 -9.376 1.00 0.00 N ATOM 795 CA ARG A 145 1.718 4.524 -10.712 1.00 0.00 C ATOM 796 C ARG A 145 1.548 3.312 -11.631 1.00 0.00 C ATOM 797 O ARG A 145 1.027 3.419 -12.723 1.00 0.00 O ATOM 798 CB ARG A 145 2.740 5.486 -11.322 1.00 0.00 C ATOM 799 CG ARG A 145 2.834 6.747 -10.459 1.00 0.00 C ATOM 800 CD ARG A 145 2.858 7.981 -11.362 1.00 0.00 C ATOM 801 NE ARG A 145 3.052 9.202 -10.529 1.00 0.00 N ATOM 802 CZ ARG A 145 2.608 10.355 -10.949 1.00 0.00 C ATOM 803 NH1 ARG A 145 1.337 10.515 -11.193 1.00 0.00 N ATOM 804 NH2 ARG A 145 3.437 11.349 -11.122 1.00 0.00 N ATOM 0 H ARG A 145 3.148 4.355 -9.137 1.00 0.00 H new ATOM 0 HA ARG A 145 0.760 5.032 -10.601 1.00 0.00 H new ATOM 0 HB2 ARG A 145 3.715 5.004 -11.387 1.00 0.00 H new ATOM 0 HB3 ARG A 145 2.446 5.749 -12.338 1.00 0.00 H new ATOM 0 HG2 ARG A 145 1.985 6.798 -9.777 1.00 0.00 H new ATOM 0 HG3 ARG A 145 3.734 6.715 -9.845 1.00 0.00 H new ATOM 0 HD2 ARG A 145 3.662 7.895 -12.093 1.00 0.00 H new ATOM 0 HD3 ARG A 145 1.925 8.054 -11.921 1.00 0.00 H new ATOM 0 HE ARG A 145 3.532 9.136 -9.631 1.00 0.00 H new ATOM 0 HH11 ARG A 145 0.690 9.739 -11.056 1.00 0.00 H new ATOM 0 HH12 ARG A 145 0.990 11.416 -11.521 1.00 0.00 H new ATOM 0 HH21 ARG A 145 4.431 11.224 -10.929 1.00 0.00 H new ATOM 0 HH22 ARG A 145 3.091 12.251 -11.450 1.00 0.00 H new ATOM 818 N SER A 146 1.981 2.160 -11.198 1.00 0.00 N ATOM 819 CA SER A 146 1.842 0.945 -12.049 1.00 0.00 C ATOM 820 C SER A 146 0.574 0.186 -11.651 1.00 0.00 C ATOM 821 O SER A 146 0.111 -0.684 -12.362 1.00 0.00 O ATOM 822 CB SER A 146 3.060 0.042 -11.853 1.00 0.00 C ATOM 823 OG SER A 146 4.241 0.832 -11.885 1.00 0.00 O ATOM 0 H SER A 146 2.425 2.008 -10.292 1.00 0.00 H new ATOM 0 HA SER A 146 1.775 1.241 -13.096 1.00 0.00 H new ATOM 0 HB2 SER A 146 2.987 -0.485 -10.902 1.00 0.00 H new ATOM 0 HB3 SER A 146 3.095 -0.716 -12.635 1.00 0.00 H new ATOM 0 HG SER A 146 5.023 0.256 -11.758 1.00 0.00 H new ATOM 829 N VAL A 147 0.009 0.508 -10.521 1.00 0.00 N ATOM 830 CA VAL A 147 -1.228 -0.195 -10.080 1.00 0.00 C ATOM 831 C VAL A 147 -2.455 0.619 -10.504 1.00 0.00 C ATOM 832 O VAL A 147 -2.437 1.832 -10.450 1.00 0.00 O ATOM 833 CB VAL A 147 -1.215 -0.340 -8.556 1.00 0.00 C ATOM 834 CG1 VAL A 147 -2.484 -1.059 -8.097 1.00 0.00 C ATOM 835 CG2 VAL A 147 0.011 -1.152 -8.134 1.00 0.00 C ATOM 0 H VAL A 147 0.350 1.228 -9.884 1.00 0.00 H new ATOM 0 HA VAL A 147 -1.269 -1.183 -10.539 1.00 0.00 H new ATOM 0 HB VAL A 147 -1.175 0.649 -8.098 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -2.472 -1.161 -7.012 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -3.358 -0.482 -8.398 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -2.527 -2.048 -8.554 1.00 0.00 H new ATOM 0 HG21 VAL A 147 0.022 -1.257 -7.049 1.00 0.00 H new ATOM 0 HG22 VAL A 147 -0.031 -2.140 -8.593 1.00 0.00 H new ATOM 0 HG23 VAL A 147 0.916 -0.639 -8.459 1.00 0.00 H new ATOM 845 N PRO A 148 -3.488 -0.074 -10.918 1.00 0.00 N ATOM 846 CA PRO A 148 -4.746 0.557 -11.360 1.00 0.00 C ATOM 847 C PRO A 148 -5.608 0.949 -10.153 1.00 0.00 C ATOM 848 O PRO A 148 -6.810 0.767 -10.156 1.00 0.00 O ATOM 849 CB PRO A 148 -5.430 -0.543 -12.174 1.00 0.00 C ATOM 850 CG PRO A 148 -4.832 -1.886 -11.686 1.00 0.00 C ATOM 851 CD PRO A 148 -3.497 -1.550 -10.994 1.00 0.00 C ATOM 0 HA PRO A 148 -4.586 1.473 -11.929 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -6.510 -0.522 -12.025 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -5.253 -0.404 -13.240 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -5.512 -2.384 -10.995 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -4.674 -2.566 -12.523 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -3.438 -2.000 -10.003 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -2.647 -1.924 -11.565 1.00 0.00 H new ATOM 859 N SER A 149 -5.010 1.483 -9.123 1.00 0.00 N ATOM 860 CA SER A 149 -5.801 1.880 -7.925 1.00 0.00 C ATOM 861 C SER A 149 -6.750 0.743 -7.541 1.00 0.00 C ATOM 862 O SER A 149 -7.769 0.957 -6.914 1.00 0.00 O ATOM 863 CB SER A 149 -6.614 3.135 -8.246 1.00 0.00 C ATOM 864 OG SER A 149 -5.899 4.282 -7.807 1.00 0.00 O ATOM 0 H SER A 149 -4.008 1.661 -9.060 1.00 0.00 H new ATOM 0 HA SER A 149 -5.126 2.086 -7.095 1.00 0.00 H new ATOM 0 HB2 SER A 149 -6.801 3.197 -9.318 1.00 0.00 H new ATOM 0 HB3 SER A 149 -7.586 3.088 -7.755 1.00 0.00 H new ATOM 0 HG SER A 149 -6.416 5.089 -8.013 1.00 0.00 H new ATOM 870 N LEU A 150 -6.424 -0.464 -7.911 1.00 0.00 N ATOM 871 CA LEU A 150 -7.308 -1.613 -7.566 1.00 0.00 C ATOM 872 C LEU A 150 -7.127 -1.968 -6.089 1.00 0.00 C ATOM 873 O LEU A 150 -6.397 -2.875 -5.744 1.00 0.00 O ATOM 874 CB LEU A 150 -6.937 -2.819 -8.430 1.00 0.00 C ATOM 875 CG LEU A 150 -8.157 -3.263 -9.235 1.00 0.00 C ATOM 876 CD1 LEU A 150 -8.593 -2.133 -10.169 1.00 0.00 C ATOM 877 CD2 LEU A 150 -7.796 -4.498 -10.065 1.00 0.00 C ATOM 0 H LEU A 150 -5.584 -0.705 -8.437 1.00 0.00 H new ATOM 0 HA LEU A 150 -8.347 -1.341 -7.750 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -6.119 -2.560 -9.102 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.586 -3.637 -7.801 1.00 0.00 H new ATOM 0 HG LEU A 150 -8.973 -3.506 -8.554 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -9.463 -2.451 -10.743 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -8.849 -1.252 -9.580 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -7.778 -1.890 -10.851 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -8.665 -4.817 -10.640 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -6.980 -4.253 -10.745 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -7.485 -5.304 -9.401 1.00 0.00 H new ATOM 889 N CYS A 151 -7.784 -1.256 -5.215 1.00 0.00 N ATOM 890 CA CYS A 151 -7.648 -1.553 -3.762 1.00 0.00 C ATOM 891 C CYS A 151 -8.969 -2.109 -3.228 1.00 0.00 C ATOM 892 O CYS A 151 -9.876 -1.370 -2.895 1.00 0.00 O ATOM 893 CB CYS A 151 -7.294 -0.268 -3.010 1.00 0.00 C ATOM 894 SG CYS A 151 -7.096 -0.635 -1.249 1.00 0.00 S ATOM 0 H CYS A 151 -8.408 -0.483 -5.444 1.00 0.00 H new ATOM 0 HA CYS A 151 -6.859 -2.290 -3.615 1.00 0.00 H new ATOM 0 HB2 CYS A 151 -6.374 0.158 -3.409 1.00 0.00 H new ATOM 0 HB3 CYS A 151 -8.077 0.476 -3.151 1.00 0.00 H new ATOM 0 HG CYS A 151 -5.879 -1.032 -1.023 1.00 0.00 H new