USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=20 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= -2.94 K(o=-2.7,f=-8.7!) USER MOD Set 1.2: A 132 CYS SG : rot 2:sc= 1.13 USER MOD Set 1.3: A 135 CYS SG : rot -59:sc= 0.132 USER MOD Set 1.4: A 151 CYS SG : rot 128:sc= -0.98 USER MOD Set 2.1: A 111 SER OG : rot 30:sc= 0.732 USER MOD Set 2.2: A 123 TYR OH : rot 19:sc= 0.0686 USER MOD Set 3.1: A 115 CYS SG : rot 122:sc= -0.794! USER MOD Set 3.2: A 118 CYS SG : rot -56:sc= -6.02! USER MOD Set 3.3: A 140 HIS : no HE2:sc= -17.3! C(o=-26!,f=-31!) USER MOD Set 3.4: A 143 CYS SG : rot -170:sc= -1.98! USER MOD Set 4.1: A 109 TYR OH : rot 105:sc= -0.617 USER MOD Set 4.2: A 113 THR OG1 : rot 180:sc=0.000162 USER MOD Set 4.3: A 128 GLN : amide:sc= -9.99! C(o=-11!,f=-13!) USER MOD Set 5.1: A 108 SER OG : rot -79:sc= 0.316 USER MOD Set 5.2: A 127 HIS : no HD1:sc= -1.45 K(o=-1.1,f=-7!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc=-0.00334 X(o=-0.0033,f=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.342 X(o=-0.34,f=-0.52) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 130 MET CE :methyl -148:sc= -2.54! (180deg=-5.96!) 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= -0.16 USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 ASN : amide:sc= -0.476 K(o=-0.48,f=-3.8!) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 149 SER OG : rot 96:sc= -0.672! USER MOD ----------------------------------------------------------------- ATOM 132 N HIS A 102 -5.298 2.792 -3.429 1.00 0.00 N ATOM 133 CA HIS A 102 -4.852 2.292 -2.098 1.00 0.00 C ATOM 134 C HIS A 102 -4.487 3.476 -1.202 1.00 0.00 C ATOM 135 O HIS A 102 -4.107 4.530 -1.673 1.00 0.00 O ATOM 136 CB HIS A 102 -3.621 1.399 -2.271 1.00 0.00 C ATOM 137 CG HIS A 102 -3.978 0.191 -3.092 1.00 0.00 C ATOM 138 ND1 HIS A 102 -4.473 -0.971 -2.521 1.00 0.00 N ATOM 139 CD2 HIS A 102 -3.905 -0.056 -4.440 1.00 0.00 C ATOM 140 CE1 HIS A 102 -4.675 -1.857 -3.514 1.00 0.00 C ATOM 141 NE2 HIS A 102 -4.345 -1.349 -4.705 1.00 0.00 N ATOM 0 HA HIS A 102 -5.660 1.720 -1.641 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -2.821 1.957 -2.758 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -3.246 1.089 -1.296 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -4.652 -1.126 -1.529 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -3.558 0.647 -5.183 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -5.057 -2.856 -3.366 1.00 0.00 H new ATOM 148 N LYS A 103 -4.590 3.309 0.088 1.00 0.00 N ATOM 149 CA LYS A 103 -4.238 4.422 1.012 1.00 0.00 C ATOM 150 C LYS A 103 -2.753 4.321 1.367 1.00 0.00 C ATOM 151 O LYS A 103 -2.363 4.477 2.507 1.00 0.00 O ATOM 152 CB LYS A 103 -5.077 4.318 2.287 1.00 0.00 C ATOM 153 CG LYS A 103 -6.558 4.224 1.916 1.00 0.00 C ATOM 154 CD LYS A 103 -7.055 5.593 1.451 1.00 0.00 C ATOM 155 CE LYS A 103 -8.533 5.753 1.817 1.00 0.00 C ATOM 156 NZ LYS A 103 -9.378 5.258 0.694 1.00 0.00 N ATOM 0 H LYS A 103 -4.903 2.450 0.541 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.439 5.378 0.529 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -4.778 3.441 2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.904 5.188 2.921 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.700 3.486 1.126 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.138 3.887 2.775 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.467 6.383 1.918 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.924 5.692 0.373 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -8.756 5.196 2.727 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -8.757 6.800 2.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -10.382 5.366 0.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -9.172 5.808 -0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -9.171 4.254 0.520 1.00 0.00 H new ATOM 170 N PHE A 104 -1.928 4.050 0.393 1.00 0.00 N ATOM 171 CA PHE A 104 -0.465 3.924 0.655 1.00 0.00 C ATOM 172 C PHE A 104 -0.014 5.008 1.636 1.00 0.00 C ATOM 173 O PHE A 104 -0.422 6.149 1.550 1.00 0.00 O ATOM 174 CB PHE A 104 0.301 4.077 -0.661 1.00 0.00 C ATOM 175 CG PHE A 104 -0.015 2.910 -1.567 1.00 0.00 C ATOM 176 CD1 PHE A 104 0.097 1.599 -1.086 1.00 0.00 C ATOM 177 CD2 PHE A 104 -0.418 3.139 -2.890 1.00 0.00 C ATOM 178 CE1 PHE A 104 -0.195 0.517 -1.926 1.00 0.00 C ATOM 179 CE2 PHE A 104 -0.710 2.057 -3.731 1.00 0.00 C ATOM 180 CZ PHE A 104 -0.599 0.746 -3.249 1.00 0.00 C ATOM 0 H PHE A 104 -2.205 3.910 -0.578 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.261 2.944 1.088 1.00 0.00 H new ATOM 0 HB2 PHE A 104 0.026 5.013 -1.147 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.373 4.121 -0.467 1.00 0.00 H new ATOM 0 HD1 PHE A 104 0.409 1.423 -0.067 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.503 4.150 -3.261 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -0.109 -0.494 -1.555 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.020 2.233 -4.750 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.825 -0.088 -3.897 1.00 0.00 H new ATOM 190 N ARG A 105 0.833 4.655 2.564 1.00 0.00 N ATOM 191 CA ARG A 105 1.324 5.656 3.553 1.00 0.00 C ATOM 192 C ARG A 105 2.751 5.294 3.966 1.00 0.00 C ATOM 193 O ARG A 105 2.976 4.342 4.685 1.00 0.00 O ATOM 194 CB ARG A 105 0.416 5.648 4.785 1.00 0.00 C ATOM 195 CG ARG A 105 -0.391 6.948 4.835 1.00 0.00 C ATOM 196 CD ARG A 105 0.346 7.973 5.698 1.00 0.00 C ATOM 197 NE ARG A 105 0.049 7.717 7.136 1.00 0.00 N ATOM 198 CZ ARG A 105 0.849 8.178 8.059 1.00 0.00 C ATOM 199 NH1 ARG A 105 2.140 8.037 7.933 1.00 0.00 N ATOM 200 NH2 ARG A 105 0.359 8.777 9.110 1.00 0.00 N ATOM 0 H ARG A 105 1.207 3.713 2.680 1.00 0.00 H new ATOM 0 HA ARG A 105 1.313 6.650 3.105 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -0.257 4.791 4.748 1.00 0.00 H new ATOM 0 HB3 ARG A 105 1.015 5.544 5.690 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.533 7.340 3.828 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -1.383 6.757 5.245 1.00 0.00 H new ATOM 0 HD2 ARG A 105 1.420 7.909 5.520 1.00 0.00 H new ATOM 0 HD3 ARG A 105 0.037 8.982 5.426 1.00 0.00 H new ATOM 0 HE ARG A 105 -0.779 7.182 7.399 1.00 0.00 H new ATOM 0 HH11 ARG A 105 2.524 7.567 7.113 1.00 0.00 H new ATOM 0 HH12 ARG A 105 2.765 8.397 8.654 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -0.650 8.885 9.211 1.00 0.00 H new ATOM 0 HH22 ARG A 105 0.985 9.137 9.830 1.00 0.00 H new ATOM 214 N LEU A 106 3.718 6.043 3.510 1.00 0.00 N ATOM 215 CA LEU A 106 5.129 5.738 3.871 1.00 0.00 C ATOM 216 C LEU A 106 5.265 5.649 5.392 1.00 0.00 C ATOM 217 O LEU A 106 4.852 6.534 6.116 1.00 0.00 O ATOM 218 CB LEU A 106 6.042 6.843 3.332 1.00 0.00 C ATOM 219 CG LEU A 106 5.884 8.101 4.187 1.00 0.00 C ATOM 220 CD1 LEU A 106 6.772 9.213 3.628 1.00 0.00 C ATOM 221 CD2 LEU A 106 4.424 8.555 4.165 1.00 0.00 C ATOM 0 H LEU A 106 3.590 6.853 2.903 1.00 0.00 H new ATOM 0 HA LEU A 106 5.418 4.783 3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.080 6.510 3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.791 7.062 2.294 1.00 0.00 H new ATOM 0 HG LEU A 106 6.180 7.881 5.213 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.659 10.110 4.237 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.813 8.891 3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.478 9.433 2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.313 9.452 4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.127 8.774 3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.791 7.763 4.565 1.00 0.00 H new ATOM 233 N HIS A 107 5.845 4.588 5.879 1.00 0.00 N ATOM 234 CA HIS A 107 6.015 4.434 7.351 1.00 0.00 C ATOM 235 C HIS A 107 7.500 4.281 7.670 1.00 0.00 C ATOM 236 O HIS A 107 8.346 4.398 6.807 1.00 0.00 O ATOM 237 CB HIS A 107 5.258 3.192 7.825 1.00 0.00 C ATOM 238 CG HIS A 107 4.269 3.584 8.888 1.00 0.00 C ATOM 239 ND1 HIS A 107 2.903 3.405 8.729 1.00 0.00 N ATOM 240 CD2 HIS A 107 4.431 4.148 10.129 1.00 0.00 C ATOM 241 CE1 HIS A 107 2.303 3.854 9.846 1.00 0.00 C ATOM 242 NE2 HIS A 107 3.189 4.317 10.732 1.00 0.00 N ATOM 0 H HIS A 107 6.210 3.818 5.319 1.00 0.00 H new ATOM 0 HA HIS A 107 5.620 5.313 7.861 1.00 0.00 H new ATOM 0 HB2 HIS A 107 4.741 2.726 6.986 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.958 2.454 8.218 1.00 0.00 H new ATOM 0 HD2 HIS A 107 5.379 4.419 10.570 1.00 0.00 H new ATOM 0 HE1 HIS A 107 1.235 3.842 10.007 1.00 0.00 H new ATOM 0 HE2 HIS A 107 2.996 4.710 11.653 1.00 0.00 H new ATOM 250 N SER A 108 7.825 4.025 8.905 1.00 0.00 N ATOM 251 CA SER A 108 9.260 3.869 9.277 1.00 0.00 C ATOM 252 C SER A 108 9.393 2.890 10.446 1.00 0.00 C ATOM 253 O SER A 108 9.636 3.282 11.570 1.00 0.00 O ATOM 254 CB SER A 108 9.830 5.227 9.685 1.00 0.00 C ATOM 255 OG SER A 108 9.331 6.229 8.808 1.00 0.00 O ATOM 0 H SER A 108 7.162 3.917 9.672 1.00 0.00 H new ATOM 0 HA SER A 108 9.811 3.481 8.420 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.552 5.457 10.714 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.919 5.204 9.647 1.00 0.00 H new ATOM 0 HG SER A 108 9.832 6.206 7.966 1.00 0.00 H new ATOM 261 N TYR A 109 9.247 1.617 10.193 1.00 0.00 N ATOM 262 CA TYR A 109 9.379 0.622 11.295 1.00 0.00 C ATOM 263 C TYR A 109 10.851 0.522 11.697 1.00 0.00 C ATOM 264 O TYR A 109 11.183 0.348 12.853 1.00 0.00 O ATOM 265 CB TYR A 109 8.898 -0.754 10.820 1.00 0.00 C ATOM 266 CG TYR A 109 7.813 -0.596 9.781 1.00 0.00 C ATOM 267 CD1 TYR A 109 6.682 0.184 10.057 1.00 0.00 C ATOM 268 CD2 TYR A 109 7.937 -1.236 8.541 1.00 0.00 C ATOM 269 CE1 TYR A 109 5.676 0.323 9.092 1.00 0.00 C ATOM 270 CE2 TYR A 109 6.931 -1.096 7.576 1.00 0.00 C ATOM 271 CZ TYR A 109 5.800 -0.316 7.851 1.00 0.00 C ATOM 272 OH TYR A 109 4.808 -0.178 6.902 1.00 0.00 O ATOM 0 H TYR A 109 9.043 1.225 9.274 1.00 0.00 H new ATOM 0 HA TYR A 109 8.774 0.941 12.144 1.00 0.00 H new ATOM 0 HB2 TYR A 109 9.734 -1.315 10.402 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.521 -1.328 11.666 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.586 0.678 11.013 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.808 -1.838 8.329 1.00 0.00 H new ATOM 0 HE1 TYR A 109 4.804 0.923 9.305 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.027 -1.589 6.620 1.00 0.00 H new ATOM 0 HH TYR A 109 5.113 0.429 6.196 1.00 0.00 H new ATOM 282 N SER A 110 11.732 0.628 10.742 1.00 0.00 N ATOM 283 CA SER A 110 13.190 0.539 11.037 1.00 0.00 C ATOM 284 C SER A 110 13.930 0.217 9.738 1.00 0.00 C ATOM 285 O SER A 110 15.091 0.532 9.572 1.00 0.00 O ATOM 286 CB SER A 110 13.443 -0.570 12.060 1.00 0.00 C ATOM 287 OG SER A 110 14.731 -1.127 11.839 1.00 0.00 O ATOM 0 H SER A 110 11.502 0.774 9.759 1.00 0.00 H new ATOM 0 HA SER A 110 13.545 1.485 11.446 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.376 -0.170 13.072 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.680 -1.343 11.972 1.00 0.00 H new ATOM 0 HG SER A 110 14.897 -1.837 12.494 1.00 0.00 H new ATOM 293 N SER A 111 13.253 -0.408 8.814 1.00 0.00 N ATOM 294 CA SER A 111 13.889 -0.756 7.513 1.00 0.00 C ATOM 295 C SER A 111 12.791 -0.963 6.468 1.00 0.00 C ATOM 296 O SER A 111 11.646 -1.178 6.812 1.00 0.00 O ATOM 297 CB SER A 111 14.700 -2.044 7.667 1.00 0.00 C ATOM 298 OG SER A 111 16.025 -1.719 8.072 1.00 0.00 O ATOM 0 H SER A 111 12.278 -0.695 8.906 1.00 0.00 H new ATOM 0 HA SER A 111 14.554 0.048 7.198 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.232 -2.696 8.404 1.00 0.00 H new ATOM 0 HB3 SER A 111 14.719 -2.590 6.724 1.00 0.00 H new ATOM 0 HG SER A 111 16.012 -0.895 8.602 1.00 0.00 H new ATOM 304 N PRO A 112 13.170 -0.887 5.219 1.00 0.00 N ATOM 305 CA PRO A 112 12.231 -1.059 4.099 1.00 0.00 C ATOM 306 C PRO A 112 11.870 -2.532 3.907 1.00 0.00 C ATOM 307 O PRO A 112 12.711 -3.406 3.949 1.00 0.00 O ATOM 308 CB PRO A 112 12.997 -0.501 2.896 1.00 0.00 C ATOM 309 CG PRO A 112 14.496 -0.552 3.269 1.00 0.00 C ATOM 310 CD PRO A 112 14.564 -0.628 4.808 1.00 0.00 C ATOM 0 HA PRO A 112 11.280 -0.550 4.257 1.00 0.00 H new ATOM 0 HB2 PRO A 112 12.799 -1.092 2.002 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.686 0.521 2.678 1.00 0.00 H new ATOM 0 HG2 PRO A 112 14.979 -1.418 2.816 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.017 0.332 2.901 1.00 0.00 H new ATOM 0 HD2 PRO A 112 15.231 -1.424 5.138 1.00 0.00 H new ATOM 0 HD3 PRO A 112 14.940 0.301 5.237 1.00 0.00 H new ATOM 318 N THR A 113 10.610 -2.801 3.697 1.00 0.00 N ATOM 319 CA THR A 113 10.161 -4.205 3.500 1.00 0.00 C ATOM 320 C THR A 113 10.243 -4.545 2.016 1.00 0.00 C ATOM 321 O THR A 113 10.607 -3.724 1.201 1.00 0.00 O ATOM 322 CB THR A 113 8.713 -4.342 3.979 1.00 0.00 C ATOM 323 OG1 THR A 113 8.475 -3.411 5.024 1.00 0.00 O ATOM 324 CG2 THR A 113 8.476 -5.761 4.499 1.00 0.00 C ATOM 0 H THR A 113 9.869 -2.102 3.654 1.00 0.00 H new ATOM 0 HA THR A 113 10.796 -4.885 4.068 1.00 0.00 H new ATOM 0 HB THR A 113 8.035 -4.144 3.149 1.00 0.00 H new ATOM 0 HG1 THR A 113 7.548 -3.495 5.332 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.445 -5.856 4.839 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.662 -6.477 3.699 1.00 0.00 H new ATOM 0 HG23 THR A 113 9.152 -5.962 5.330 1.00 0.00 H new ATOM 332 N PHE A 114 9.918 -5.751 1.659 1.00 0.00 N ATOM 333 CA PHE A 114 9.994 -6.137 0.224 1.00 0.00 C ATOM 334 C PHE A 114 8.770 -5.607 -0.522 1.00 0.00 C ATOM 335 O PHE A 114 7.692 -5.490 0.027 1.00 0.00 O ATOM 336 CB PHE A 114 10.042 -7.662 0.106 1.00 0.00 C ATOM 337 CG PHE A 114 11.466 -8.139 0.260 1.00 0.00 C ATOM 338 CD1 PHE A 114 12.043 -8.225 1.534 1.00 0.00 C ATOM 339 CD2 PHE A 114 12.210 -8.496 -0.872 1.00 0.00 C ATOM 340 CE1 PHE A 114 13.364 -8.670 1.676 1.00 0.00 C ATOM 341 CE2 PHE A 114 13.532 -8.941 -0.730 1.00 0.00 C ATOM 342 CZ PHE A 114 14.109 -9.028 0.544 1.00 0.00 C ATOM 0 H PHE A 114 9.604 -6.485 2.294 1.00 0.00 H new ATOM 0 HA PHE A 114 10.895 -5.708 -0.214 1.00 0.00 H new ATOM 0 HB2 PHE A 114 9.411 -8.116 0.871 1.00 0.00 H new ATOM 0 HB3 PHE A 114 9.646 -7.974 -0.860 1.00 0.00 H new ATOM 0 HD1 PHE A 114 11.470 -7.948 2.406 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.765 -8.428 -1.854 1.00 0.00 H new ATOM 0 HE1 PHE A 114 13.808 -8.737 2.658 1.00 0.00 H new ATOM 0 HE2 PHE A 114 14.106 -9.217 -1.603 1.00 0.00 H new ATOM 0 HZ PHE A 114 15.127 -9.371 0.654 1.00 0.00 H new ATOM 352 N CYS A 115 8.935 -5.280 -1.775 1.00 0.00 N ATOM 353 CA CYS A 115 7.796 -4.750 -2.574 1.00 0.00 C ATOM 354 C CYS A 115 6.978 -5.919 -3.131 1.00 0.00 C ATOM 355 O CYS A 115 7.514 -6.936 -3.524 1.00 0.00 O ATOM 356 CB CYS A 115 8.354 -3.900 -3.715 1.00 0.00 C ATOM 357 SG CYS A 115 7.016 -3.336 -4.791 1.00 0.00 S ATOM 0 H CYS A 115 9.817 -5.358 -2.282 1.00 0.00 H new ATOM 0 HA CYS A 115 7.147 -4.137 -1.949 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.890 -3.042 -3.310 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.073 -4.481 -4.292 1.00 0.00 H new ATOM 0 HG CYS A 115 7.016 -2.037 -4.839 1.00 0.00 H new ATOM 362 N ASP A 116 5.680 -5.785 -3.149 1.00 0.00 N ATOM 363 CA ASP A 116 4.815 -6.894 -3.657 1.00 0.00 C ATOM 364 C ASP A 116 4.454 -6.659 -5.125 1.00 0.00 C ATOM 365 O ASP A 116 3.988 -7.550 -5.808 1.00 0.00 O ATOM 366 CB ASP A 116 3.532 -6.954 -2.826 1.00 0.00 C ATOM 367 CG ASP A 116 2.960 -5.545 -2.661 1.00 0.00 C ATOM 368 OD1 ASP A 116 3.262 -4.705 -3.493 1.00 0.00 O ATOM 369 OD2 ASP A 116 2.231 -5.331 -1.708 1.00 0.00 O ATOM 0 H ASP A 116 5.178 -4.955 -2.834 1.00 0.00 H new ATOM 0 HA ASP A 116 5.360 -7.834 -3.573 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.801 -7.599 -3.313 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.740 -7.390 -1.849 1.00 0.00 H new ATOM 374 N HIS A 117 4.655 -5.471 -5.618 1.00 0.00 N ATOM 375 CA HIS A 117 4.313 -5.189 -7.040 1.00 0.00 C ATOM 376 C HIS A 117 5.516 -5.512 -7.932 1.00 0.00 C ATOM 377 O HIS A 117 5.368 -5.817 -9.097 1.00 0.00 O ATOM 378 CB HIS A 117 3.946 -3.712 -7.193 1.00 0.00 C ATOM 379 CG HIS A 117 3.729 -3.397 -8.647 1.00 0.00 C ATOM 380 ND1 HIS A 117 2.486 -3.508 -9.251 1.00 0.00 N ATOM 381 CD2 HIS A 117 4.586 -2.971 -9.632 1.00 0.00 C ATOM 382 CE1 HIS A 117 2.629 -3.156 -10.542 1.00 0.00 C ATOM 383 NE2 HIS A 117 3.889 -2.821 -10.827 1.00 0.00 N ATOM 0 H HIS A 117 5.041 -4.682 -5.099 1.00 0.00 H new ATOM 0 HA HIS A 117 3.466 -5.807 -7.338 1.00 0.00 H new ATOM 0 HB2 HIS A 117 3.044 -3.490 -6.623 1.00 0.00 H new ATOM 0 HB3 HIS A 117 4.741 -3.085 -6.789 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.641 -2.781 -9.499 1.00 0.00 H new ATOM 0 HE1 HIS A 117 1.822 -3.146 -11.260 1.00 0.00 H new ATOM 0 HE2 HIS A 117 4.261 -2.520 -11.728 1.00 0.00 H new ATOM 391 N CYS A 118 6.705 -5.453 -7.395 1.00 0.00 N ATOM 392 CA CYS A 118 7.905 -5.764 -8.224 1.00 0.00 C ATOM 393 C CYS A 118 8.711 -6.889 -7.564 1.00 0.00 C ATOM 394 O CYS A 118 9.469 -7.582 -8.214 1.00 0.00 O ATOM 395 CB CYS A 118 8.777 -4.515 -8.356 1.00 0.00 C ATOM 396 SG CYS A 118 9.222 -3.908 -6.711 1.00 0.00 S ATOM 0 H CYS A 118 6.897 -5.205 -6.424 1.00 0.00 H new ATOM 0 HA CYS A 118 7.584 -6.085 -9.215 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.677 -4.746 -8.925 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.241 -3.742 -8.907 1.00 0.00 H new ATOM 0 HG CYS A 118 8.142 -3.694 -6.021 1.00 0.00 H new ATOM 401 N GLY A 119 8.554 -7.081 -6.281 1.00 0.00 N ATOM 402 CA GLY A 119 9.311 -8.166 -5.594 1.00 0.00 C ATOM 403 C GLY A 119 10.750 -7.710 -5.336 1.00 0.00 C ATOM 404 O GLY A 119 11.690 -8.455 -5.529 1.00 0.00 O ATOM 0 H GLY A 119 7.936 -6.535 -5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.826 -8.420 -4.652 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.310 -9.067 -6.207 1.00 0.00 H new ATOM 408 N SER A 120 10.928 -6.494 -4.899 1.00 0.00 N ATOM 409 CA SER A 120 12.305 -5.996 -4.627 1.00 0.00 C ATOM 410 C SER A 120 12.301 -5.150 -3.351 1.00 0.00 C ATOM 411 O SER A 120 11.451 -4.303 -3.161 1.00 0.00 O ATOM 412 CB SER A 120 12.778 -5.141 -5.804 1.00 0.00 C ATOM 413 OG SER A 120 12.997 -5.976 -6.933 1.00 0.00 O ATOM 0 H SER A 120 10.180 -5.824 -4.719 1.00 0.00 H new ATOM 0 HA SER A 120 12.979 -6.843 -4.498 1.00 0.00 H new ATOM 0 HB2 SER A 120 12.033 -4.381 -6.039 1.00 0.00 H new ATOM 0 HB3 SER A 120 13.697 -4.617 -5.541 1.00 0.00 H new ATOM 0 HG SER A 120 13.299 -5.431 -7.689 1.00 0.00 H new ATOM 419 N LEU A 121 13.244 -5.372 -2.475 1.00 0.00 N ATOM 420 CA LEU A 121 13.289 -4.578 -1.215 1.00 0.00 C ATOM 421 C LEU A 121 13.135 -3.091 -1.524 1.00 0.00 C ATOM 422 O LEU A 121 13.581 -2.603 -2.543 1.00 0.00 O ATOM 423 CB LEU A 121 14.618 -4.811 -0.497 1.00 0.00 C ATOM 424 CG LEU A 121 14.459 -5.958 0.501 1.00 0.00 C ATOM 425 CD1 LEU A 121 15.838 -6.490 0.894 1.00 0.00 C ATOM 426 CD2 LEU A 121 13.736 -5.439 1.750 1.00 0.00 C ATOM 0 H LEU A 121 13.983 -6.067 -2.578 1.00 0.00 H new ATOM 0 HA LEU A 121 12.469 -4.899 -0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.398 -5.048 -1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 121 14.929 -3.904 0.021 1.00 0.00 H new ATOM 0 HG LEU A 121 13.879 -6.762 0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 121 15.723 -7.308 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 121 16.355 -6.852 0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 121 16.420 -5.690 1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 121 13.619 -6.252 2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 121 14.321 -4.638 2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 121 12.754 -5.058 1.470 1.00 0.00 H new ATOM 438 N LEU A 122 12.504 -2.369 -0.641 1.00 0.00 N ATOM 439 CA LEU A 122 12.311 -0.908 -0.864 1.00 0.00 C ATOM 440 C LEU A 122 13.533 -0.141 -0.344 1.00 0.00 C ATOM 441 O LEU A 122 13.415 0.950 0.177 1.00 0.00 O ATOM 442 CB LEU A 122 11.061 -0.437 -0.115 1.00 0.00 C ATOM 443 CG LEU A 122 9.921 -1.434 -0.333 1.00 0.00 C ATOM 444 CD1 LEU A 122 8.985 -1.412 0.877 1.00 0.00 C ATOM 445 CD2 LEU A 122 9.138 -1.043 -1.588 1.00 0.00 C ATOM 0 H LEU A 122 12.112 -2.729 0.229 1.00 0.00 H new ATOM 0 HA LEU A 122 12.191 -0.720 -1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 122 11.277 -0.344 0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 122 10.765 0.551 -0.468 1.00 0.00 H new ATOM 0 HG LEU A 122 10.332 -2.436 -0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.173 -2.122 0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 122 9.542 -1.688 1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 122 8.573 -0.411 1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.325 -1.752 -1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.727 -0.041 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.804 -1.057 -2.451 1.00 0.00 H new ATOM 457 N TYR A 123 14.705 -0.700 -0.486 1.00 0.00 N ATOM 458 CA TYR A 123 15.930 0.000 -0.004 1.00 0.00 C ATOM 459 C TYR A 123 16.363 1.033 -1.046 1.00 0.00 C ATOM 460 O TYR A 123 16.626 0.701 -2.185 1.00 0.00 O ATOM 461 CB TYR A 123 17.057 -1.021 0.180 1.00 0.00 C ATOM 462 CG TYR A 123 17.025 -1.578 1.582 1.00 0.00 C ATOM 463 CD1 TYR A 123 17.292 -0.743 2.675 1.00 0.00 C ATOM 464 CD2 TYR A 123 16.736 -2.933 1.789 1.00 0.00 C ATOM 465 CE1 TYR A 123 17.269 -1.265 3.976 1.00 0.00 C ATOM 466 CE2 TYR A 123 16.712 -3.454 3.088 1.00 0.00 C ATOM 467 CZ TYR A 123 16.979 -2.620 4.183 1.00 0.00 C ATOM 468 OH TYR A 123 16.957 -3.134 5.463 1.00 0.00 O ATOM 0 H TYR A 123 14.867 -1.611 -0.915 1.00 0.00 H new ATOM 0 HA TYR A 123 15.719 0.494 0.944 1.00 0.00 H new ATOM 0 HB2 TYR A 123 16.949 -1.829 -0.544 1.00 0.00 H new ATOM 0 HB3 TYR A 123 18.021 -0.549 -0.011 1.00 0.00 H new ATOM 0 HD1 TYR A 123 17.515 0.302 2.515 1.00 0.00 H new ATOM 0 HD2 TYR A 123 16.532 -3.576 0.946 1.00 0.00 H new ATOM 0 HE1 TYR A 123 17.475 -0.622 4.819 1.00 0.00 H new ATOM 0 HE2 TYR A 123 16.488 -4.498 3.247 1.00 0.00 H new ATOM 0 HH TYR A 123 16.861 -2.402 6.108 1.00 0.00 H new ATOM 478 N GLY A 124 16.449 2.282 -0.673 1.00 0.00 N ATOM 479 CA GLY A 124 16.877 3.308 -1.666 1.00 0.00 C ATOM 480 C GLY A 124 16.538 4.716 -1.170 1.00 0.00 C ATOM 481 O GLY A 124 17.338 5.369 -0.530 1.00 0.00 O ATOM 0 H GLY A 124 16.245 2.632 0.263 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.950 3.227 -1.840 1.00 0.00 H new ATOM 0 HA3 GLY A 124 16.384 3.125 -2.621 1.00 0.00 H new ATOM 485 N LEU A 125 15.368 5.202 -1.488 1.00 0.00 N ATOM 486 CA LEU A 125 14.989 6.582 -1.066 1.00 0.00 C ATOM 487 C LEU A 125 13.645 6.571 -0.342 1.00 0.00 C ATOM 488 O LEU A 125 13.235 7.558 0.237 1.00 0.00 O ATOM 489 CB LEU A 125 14.850 7.444 -2.314 1.00 0.00 C ATOM 490 CG LEU A 125 16.235 7.760 -2.881 1.00 0.00 C ATOM 491 CD1 LEU A 125 16.091 8.340 -4.289 1.00 0.00 C ATOM 492 CD2 LEU A 125 16.933 8.780 -1.979 1.00 0.00 C ATOM 0 H LEU A 125 14.657 4.702 -2.022 1.00 0.00 H new ATOM 0 HA LEU A 125 15.755 6.973 -0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 125 14.251 6.924 -3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 125 14.326 8.369 -2.072 1.00 0.00 H new ATOM 0 HG LEU A 125 16.827 6.846 -2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 125 17.078 8.565 -4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 125 15.593 7.615 -4.932 1.00 0.00 H new ATOM 0 HD13 LEU A 125 15.499 9.254 -4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 125 17.920 9.006 -2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 125 16.340 9.694 -1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 125 17.036 8.368 -0.975 1.00 0.00 H new ATOM 504 N VAL A 126 12.944 5.480 -0.388 1.00 0.00 N ATOM 505 CA VAL A 126 11.612 5.430 0.279 1.00 0.00 C ATOM 506 C VAL A 126 11.769 4.999 1.737 1.00 0.00 C ATOM 507 O VAL A 126 12.123 3.874 2.032 1.00 0.00 O ATOM 508 CB VAL A 126 10.718 4.437 -0.461 1.00 0.00 C ATOM 509 CG1 VAL A 126 10.765 4.737 -1.960 1.00 0.00 C ATOM 510 CG2 VAL A 126 11.218 3.013 -0.210 1.00 0.00 C ATOM 0 H VAL A 126 13.231 4.620 -0.856 1.00 0.00 H new ATOM 0 HA VAL A 126 11.159 6.421 0.255 1.00 0.00 H new ATOM 0 HB VAL A 126 9.693 4.529 -0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 126 10.128 4.031 -2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 126 10.410 5.752 -2.139 1.00 0.00 H new ATOM 0 HG13 VAL A 126 11.790 4.643 -2.318 1.00 0.00 H new ATOM 0 HG21 VAL A 126 10.580 2.305 -0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 126 12.242 2.918 -0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 126 11.189 2.800 0.859 1.00 0.00 H new ATOM 520 N HIS A 127 11.501 5.892 2.654 1.00 0.00 N ATOM 521 CA HIS A 127 11.625 5.543 4.096 1.00 0.00 C ATOM 522 C HIS A 127 10.874 4.241 4.361 1.00 0.00 C ATOM 523 O HIS A 127 9.660 4.200 4.356 1.00 0.00 O ATOM 524 CB HIS A 127 11.020 6.664 4.945 1.00 0.00 C ATOM 525 CG HIS A 127 11.719 6.719 6.274 1.00 0.00 C ATOM 526 ND1 HIS A 127 11.148 7.320 7.386 1.00 0.00 N ATOM 527 CD2 HIS A 127 12.944 6.255 6.688 1.00 0.00 C ATOM 528 CE1 HIS A 127 12.019 7.201 8.404 1.00 0.00 C ATOM 529 NE2 HIS A 127 13.131 6.560 8.033 1.00 0.00 N ATOM 0 H HIS A 127 11.201 6.848 2.464 1.00 0.00 H new ATOM 0 HA HIS A 127 12.676 5.420 4.356 1.00 0.00 H new ATOM 0 HB2 HIS A 127 11.120 7.619 4.430 1.00 0.00 H new ATOM 0 HB3 HIS A 127 9.954 6.490 5.090 1.00 0.00 H new ATOM 0 HD2 HIS A 127 13.654 5.733 6.064 1.00 0.00 H new ATOM 0 HE1 HIS A 127 11.841 7.578 9.400 1.00 0.00 H new ATOM 0 HE2 HIS A 127 13.942 6.341 8.611 1.00 0.00 H new ATOM 537 N GLN A 128 11.586 3.173 4.585 1.00 0.00 N ATOM 538 CA GLN A 128 10.914 1.870 4.844 1.00 0.00 C ATOM 539 C GLN A 128 10.126 1.450 3.596 1.00 0.00 C ATOM 540 O GLN A 128 10.625 0.744 2.744 1.00 0.00 O ATOM 541 CB GLN A 128 9.966 2.008 6.038 1.00 0.00 C ATOM 542 CG GLN A 128 9.257 0.675 6.287 1.00 0.00 C ATOM 543 CD GLN A 128 7.875 0.700 5.632 1.00 0.00 C ATOM 544 OE1 GLN A 128 7.105 1.615 5.845 1.00 0.00 O ATOM 545 NE2 GLN A 128 7.526 -0.275 4.837 1.00 0.00 N ATOM 0 H GLN A 128 12.606 3.146 4.600 1.00 0.00 H new ATOM 0 HA GLN A 128 11.662 1.111 5.072 1.00 0.00 H new ATOM 0 HB2 GLN A 128 10.524 2.306 6.926 1.00 0.00 H new ATOM 0 HB3 GLN A 128 9.233 2.791 5.845 1.00 0.00 H new ATOM 0 HG2 GLN A 128 9.849 -0.145 5.880 1.00 0.00 H new ATOM 0 HG3 GLN A 128 9.160 0.497 7.358 1.00 0.00 H new ATOM 0 HE21 GLN A 128 8.172 -1.043 4.658 1.00 0.00 H new ATOM 0 HE22 GLN A 128 6.607 -0.268 4.395 1.00 0.00 H new ATOM 554 N GLY A 129 8.901 1.882 3.475 1.00 0.00 N ATOM 555 CA GLY A 129 8.095 1.504 2.279 1.00 0.00 C ATOM 556 C GLY A 129 6.692 2.100 2.400 1.00 0.00 C ATOM 557 O GLY A 129 6.310 2.609 3.435 1.00 0.00 O ATOM 0 H GLY A 129 8.424 2.479 4.151 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.579 1.867 1.372 1.00 0.00 H new ATOM 0 HA3 GLY A 129 8.035 0.419 2.196 1.00 0.00 H new ATOM 561 N MET A 130 5.920 2.041 1.349 1.00 0.00 N ATOM 562 CA MET A 130 4.542 2.606 1.407 1.00 0.00 C ATOM 563 C MET A 130 3.561 1.508 1.823 1.00 0.00 C ATOM 564 O MET A 130 3.391 0.521 1.135 1.00 0.00 O ATOM 565 CB MET A 130 4.152 3.147 0.029 1.00 0.00 C ATOM 566 CG MET A 130 5.396 3.675 -0.690 1.00 0.00 C ATOM 567 SD MET A 130 6.320 4.772 0.417 1.00 0.00 S ATOM 568 CE MET A 130 5.442 6.300 0.010 1.00 0.00 C ATOM 0 H MET A 130 6.183 1.627 0.455 1.00 0.00 H new ATOM 0 HA MET A 130 4.511 3.417 2.135 1.00 0.00 H new ATOM 0 HB2 MET A 130 3.685 2.359 -0.563 1.00 0.00 H new ATOM 0 HB3 MET A 130 3.416 3.944 0.136 1.00 0.00 H new ATOM 0 HG2 MET A 130 6.027 2.844 -1.004 1.00 0.00 H new ATOM 0 HG3 MET A 130 5.106 4.213 -1.592 1.00 0.00 H new ATOM 0 HE1 MET A 130 6.125 7.145 0.092 1.00 0.00 H new ATOM 0 HE2 MET A 130 5.060 6.240 -1.009 1.00 0.00 H new ATOM 0 HE3 MET A 130 4.611 6.437 0.702 1.00 0.00 H new ATOM 578 N LYS A 131 2.918 1.671 2.947 1.00 0.00 N ATOM 579 CA LYS A 131 1.952 0.633 3.407 1.00 0.00 C ATOM 580 C LYS A 131 0.521 1.119 3.169 1.00 0.00 C ATOM 581 O LYS A 131 0.132 2.179 3.619 1.00 0.00 O ATOM 582 CB LYS A 131 2.160 0.373 4.901 1.00 0.00 C ATOM 583 CG LYS A 131 1.137 -0.657 5.387 1.00 0.00 C ATOM 584 CD LYS A 131 0.641 -0.265 6.780 1.00 0.00 C ATOM 585 CE LYS A 131 1.815 -0.279 7.762 1.00 0.00 C ATOM 586 NZ LYS A 131 1.341 0.146 9.109 1.00 0.00 N ATOM 0 H LYS A 131 3.019 2.476 3.565 1.00 0.00 H new ATOM 0 HA LYS A 131 2.117 -0.288 2.848 1.00 0.00 H new ATOM 0 HB2 LYS A 131 3.172 0.009 5.080 1.00 0.00 H new ATOM 0 HB3 LYS A 131 2.051 1.302 5.461 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.299 -0.709 4.692 1.00 0.00 H new ATOM 0 HG3 LYS A 131 1.589 -1.649 5.416 1.00 0.00 H new ATOM 0 HD2 LYS A 131 0.189 0.726 6.751 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -0.132 -0.958 7.111 1.00 0.00 H new ATOM 0 HE2 LYS A 131 2.247 -1.279 7.815 1.00 0.00 H new ATOM 0 HE3 LYS A 131 2.602 0.390 7.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 2.138 0.137 9.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 0.949 1.108 9.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 0.604 -0.509 9.440 1.00 0.00 H new ATOM 600 N CYS A 132 -0.266 0.350 2.467 1.00 0.00 N ATOM 601 CA CYS A 132 -1.673 0.767 2.203 1.00 0.00 C ATOM 602 C CYS A 132 -2.472 0.710 3.507 1.00 0.00 C ATOM 603 O CYS A 132 -2.648 -0.341 4.094 1.00 0.00 O ATOM 604 CB CYS A 132 -2.301 -0.179 1.177 1.00 0.00 C ATOM 605 SG CYS A 132 -4.076 0.153 1.056 1.00 0.00 S ATOM 0 H CYS A 132 0.004 -0.548 2.065 1.00 0.00 H new ATOM 0 HA CYS A 132 -1.685 1.785 1.813 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -1.828 -0.044 0.204 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -2.133 -1.215 1.471 1.00 0.00 H new ATOM 0 HG CYS A 132 -4.387 1.143 1.840 1.00 0.00 H new ATOM 610 N SER A 133 -2.953 1.833 3.967 1.00 0.00 N ATOM 611 CA SER A 133 -3.738 1.846 5.236 1.00 0.00 C ATOM 612 C SER A 133 -5.200 1.502 4.941 1.00 0.00 C ATOM 613 O SER A 133 -6.109 2.138 5.435 1.00 0.00 O ATOM 614 CB SER A 133 -3.660 3.237 5.867 1.00 0.00 C ATOM 615 OG SER A 133 -3.604 3.108 7.282 1.00 0.00 O ATOM 0 H SER A 133 -2.837 2.742 3.520 1.00 0.00 H new ATOM 0 HA SER A 133 -3.325 1.108 5.924 1.00 0.00 H new ATOM 0 HB2 SER A 133 -2.779 3.765 5.503 1.00 0.00 H new ATOM 0 HB3 SER A 133 -4.528 3.829 5.578 1.00 0.00 H new ATOM 0 HG SER A 133 -3.552 3.998 7.690 1.00 0.00 H new ATOM 621 N CYS A 134 -5.432 0.499 4.142 1.00 0.00 N ATOM 622 CA CYS A 134 -6.833 0.109 3.818 1.00 0.00 C ATOM 623 C CYS A 134 -6.904 -1.406 3.622 1.00 0.00 C ATOM 624 O CYS A 134 -7.846 -2.053 4.035 1.00 0.00 O ATOM 625 CB CYS A 134 -7.275 0.811 2.533 1.00 0.00 C ATOM 626 SG CYS A 134 -8.867 1.629 2.808 1.00 0.00 S ATOM 0 H CYS A 134 -4.711 -0.069 3.698 1.00 0.00 H new ATOM 0 HA CYS A 134 -7.492 0.403 4.635 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -6.526 1.542 2.230 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -7.361 0.088 1.722 1.00 0.00 H new ATOM 0 HG CYS A 134 -9.242 2.228 1.716 1.00 0.00 H new ATOM 632 N CYS A 135 -5.911 -1.978 2.997 1.00 0.00 N ATOM 633 CA CYS A 135 -5.917 -3.451 2.775 1.00 0.00 C ATOM 634 C CYS A 135 -4.607 -4.052 3.293 1.00 0.00 C ATOM 635 O CYS A 135 -4.393 -5.246 3.222 1.00 0.00 O ATOM 636 CB CYS A 135 -6.056 -3.741 1.279 1.00 0.00 C ATOM 637 SG CYS A 135 -4.534 -3.258 0.424 1.00 0.00 S ATOM 0 H CYS A 135 -5.095 -1.488 2.630 1.00 0.00 H new ATOM 0 HA CYS A 135 -6.756 -3.895 3.310 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -6.254 -4.801 1.120 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -6.905 -3.194 0.869 1.00 0.00 H new ATOM 0 HG CYS A 135 -4.309 -1.993 0.621 1.00 0.00 H new ATOM 642 N GLU A 136 -3.728 -3.236 3.811 1.00 0.00 N ATOM 643 CA GLU A 136 -2.435 -3.766 4.330 1.00 0.00 C ATOM 644 C GLU A 136 -1.565 -4.216 3.155 1.00 0.00 C ATOM 645 O GLU A 136 -1.384 -5.395 2.919 1.00 0.00 O ATOM 646 CB GLU A 136 -2.702 -4.956 5.254 1.00 0.00 C ATOM 647 CG GLU A 136 -3.845 -4.615 6.210 1.00 0.00 C ATOM 648 CD GLU A 136 -4.294 -5.880 6.943 1.00 0.00 C ATOM 649 OE1 GLU A 136 -3.554 -6.340 7.798 1.00 0.00 O ATOM 650 OE2 GLU A 136 -5.369 -6.368 6.636 1.00 0.00 O ATOM 0 H GLU A 136 -3.850 -2.227 3.897 1.00 0.00 H new ATOM 0 HA GLU A 136 -1.919 -2.985 4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -2.957 -5.837 4.665 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -1.802 -5.200 5.819 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -3.520 -3.862 6.928 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -4.681 -4.187 5.656 1.00 0.00 H new ATOM 657 N MET A 137 -1.026 -3.286 2.416 1.00 0.00 N ATOM 658 CA MET A 137 -0.168 -3.657 1.256 1.00 0.00 C ATOM 659 C MET A 137 1.184 -2.951 1.379 1.00 0.00 C ATOM 660 O MET A 137 1.398 -2.155 2.270 1.00 0.00 O ATOM 661 CB MET A 137 -0.853 -3.225 -0.042 1.00 0.00 C ATOM 662 CG MET A 137 -0.438 -4.164 -1.176 1.00 0.00 C ATOM 663 SD MET A 137 -1.908 -4.962 -1.866 1.00 0.00 S ATOM 664 CE MET A 137 -1.267 -5.208 -3.541 1.00 0.00 C ATOM 0 H MET A 137 -1.143 -2.284 2.566 1.00 0.00 H new ATOM 0 HA MET A 137 -0.016 -4.736 1.244 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.936 -3.244 0.082 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.578 -2.199 -0.286 1.00 0.00 H new ATOM 0 HG2 MET A 137 0.084 -3.605 -1.953 1.00 0.00 H new ATOM 0 HG3 MET A 137 0.257 -4.917 -0.803 1.00 0.00 H new ATOM 0 HE1 MET A 137 -2.025 -5.697 -4.153 1.00 0.00 H new ATOM 0 HE2 MET A 137 -1.014 -4.243 -3.979 1.00 0.00 H new ATOM 0 HE3 MET A 137 -0.375 -5.833 -3.501 1.00 0.00 H new ATOM 674 N ASN A 138 2.096 -3.236 0.491 1.00 0.00 N ATOM 675 CA ASN A 138 3.433 -2.580 0.559 1.00 0.00 C ATOM 676 C ASN A 138 4.011 -2.460 -0.852 1.00 0.00 C ATOM 677 O ASN A 138 4.078 -3.423 -1.589 1.00 0.00 O ATOM 678 CB ASN A 138 4.372 -3.421 1.426 1.00 0.00 C ATOM 679 CG ASN A 138 4.238 -2.991 2.889 1.00 0.00 C ATOM 680 OD1 ASN A 138 3.956 -1.845 3.175 1.00 0.00 O ATOM 681 ND2 ASN A 138 4.429 -3.871 3.834 1.00 0.00 N ATOM 0 H ASN A 138 1.974 -3.894 -0.278 1.00 0.00 H new ATOM 0 HA ASN A 138 3.330 -1.587 0.996 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.130 -4.479 1.323 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.402 -3.296 1.092 1.00 0.00 H new ATOM 0 HD21 ASN A 138 4.341 -3.596 4.812 1.00 0.00 H new ATOM 0 HD22 ASN A 138 4.666 -4.834 3.594 1.00 0.00 H new ATOM 688 N VAL A 139 4.427 -1.283 -1.236 1.00 0.00 N ATOM 689 CA VAL A 139 4.997 -1.107 -2.601 1.00 0.00 C ATOM 690 C VAL A 139 6.055 0.000 -2.578 1.00 0.00 C ATOM 691 O VAL A 139 6.280 0.638 -1.568 1.00 0.00 O ATOM 692 CB VAL A 139 3.880 -0.726 -3.573 1.00 0.00 C ATOM 693 CG1 VAL A 139 2.974 -1.935 -3.809 1.00 0.00 C ATOM 694 CG2 VAL A 139 3.056 0.420 -2.981 1.00 0.00 C ATOM 0 H VAL A 139 4.397 -0.439 -0.665 1.00 0.00 H new ATOM 0 HA VAL A 139 5.459 -2.040 -2.924 1.00 0.00 H new ATOM 0 HB VAL A 139 4.317 -0.408 -4.520 1.00 0.00 H new ATOM 0 HG11 VAL A 139 2.178 -1.663 -4.502 1.00 0.00 H new ATOM 0 HG12 VAL A 139 3.560 -2.752 -4.231 1.00 0.00 H new ATOM 0 HG13 VAL A 139 2.538 -2.253 -2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.260 0.691 -3.674 1.00 0.00 H new ATOM 0 HG22 VAL A 139 2.620 0.103 -2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 139 3.701 1.283 -2.813 1.00 0.00 H new ATOM 704 N HIS A 140 6.707 0.229 -3.686 1.00 0.00 N ATOM 705 CA HIS A 140 7.752 1.292 -3.734 1.00 0.00 C ATOM 706 C HIS A 140 7.087 2.661 -3.884 1.00 0.00 C ATOM 707 O HIS A 140 5.880 2.784 -3.850 1.00 0.00 O ATOM 708 CB HIS A 140 8.674 1.044 -4.930 1.00 0.00 C ATOM 709 CG HIS A 140 9.647 -0.053 -4.601 1.00 0.00 C ATOM 710 ND1 HIS A 140 9.503 -1.342 -5.090 1.00 0.00 N ATOM 711 CD2 HIS A 140 10.786 -0.068 -3.834 1.00 0.00 C ATOM 712 CE1 HIS A 140 10.531 -2.072 -4.618 1.00 0.00 C ATOM 713 NE2 HIS A 140 11.342 -1.344 -3.846 1.00 0.00 N ATOM 0 H HIS A 140 6.561 -0.275 -4.561 1.00 0.00 H new ATOM 0 HA HIS A 140 8.332 1.270 -2.812 1.00 0.00 H new ATOM 0 HB2 HIS A 140 8.085 0.770 -5.805 1.00 0.00 H new ATOM 0 HB3 HIS A 140 9.213 1.958 -5.182 1.00 0.00 H new ATOM 0 HD1 HIS A 140 8.755 -1.677 -5.697 1.00 0.00 H new ATOM 0 HD2 HIS A 140 11.189 0.781 -3.302 1.00 0.00 H new ATOM 0 HE1 HIS A 140 10.682 -3.119 -4.837 1.00 0.00 H new ATOM 720 N ARG A 141 7.871 3.691 -4.054 1.00 0.00 N ATOM 721 CA ARG A 141 7.290 5.053 -4.213 1.00 0.00 C ATOM 722 C ARG A 141 7.016 5.315 -5.695 1.00 0.00 C ATOM 723 O ARG A 141 6.348 6.263 -6.056 1.00 0.00 O ATOM 724 CB ARG A 141 8.280 6.095 -3.687 1.00 0.00 C ATOM 725 CG ARG A 141 7.878 6.517 -2.272 1.00 0.00 C ATOM 726 CD ARG A 141 8.679 7.753 -1.861 1.00 0.00 C ATOM 727 NE ARG A 141 7.769 8.746 -1.223 1.00 0.00 N ATOM 728 CZ ARG A 141 7.197 9.667 -1.950 1.00 0.00 C ATOM 729 NH1 ARG A 141 7.138 9.533 -3.246 1.00 0.00 N ATOM 730 NH2 ARG A 141 6.681 10.721 -1.378 1.00 0.00 N ATOM 0 H ARG A 141 8.889 3.647 -4.090 1.00 0.00 H new ATOM 0 HA ARG A 141 6.359 5.121 -3.650 1.00 0.00 H new ATOM 0 HB2 ARG A 141 9.289 5.682 -3.681 1.00 0.00 H new ATOM 0 HB3 ARG A 141 8.294 6.963 -4.346 1.00 0.00 H new ATOM 0 HG2 ARG A 141 6.810 6.734 -2.235 1.00 0.00 H new ATOM 0 HG3 ARG A 141 8.062 5.702 -1.572 1.00 0.00 H new ATOM 0 HD2 ARG A 141 9.471 7.472 -1.167 1.00 0.00 H new ATOM 0 HD3 ARG A 141 9.161 8.194 -2.734 1.00 0.00 H new ATOM 0 HE ARG A 141 7.593 8.706 -0.219 1.00 0.00 H new ATOM 0 HH11 ARG A 141 7.539 8.708 -3.692 1.00 0.00 H new ATOM 0 HH12 ARG A 141 6.691 10.253 -3.813 1.00 0.00 H new ATOM 0 HH21 ARG A 141 6.725 10.824 -0.364 1.00 0.00 H new ATOM 0 HH22 ARG A 141 6.234 11.441 -1.945 1.00 0.00 H new ATOM 744 N ARG A 142 7.529 4.480 -6.557 1.00 0.00 N ATOM 745 CA ARG A 142 7.301 4.679 -8.016 1.00 0.00 C ATOM 746 C ARG A 142 6.484 3.511 -8.571 1.00 0.00 C ATOM 747 O ARG A 142 6.140 3.481 -9.737 1.00 0.00 O ATOM 748 CB ARG A 142 8.649 4.747 -8.738 1.00 0.00 C ATOM 749 CG ARG A 142 9.647 3.816 -8.046 1.00 0.00 C ATOM 750 CD ARG A 142 11.014 3.938 -8.721 1.00 0.00 C ATOM 751 NE ARG A 142 10.901 3.529 -10.149 1.00 0.00 N ATOM 752 CZ ARG A 142 11.399 2.389 -10.543 1.00 0.00 C ATOM 753 NH1 ARG A 142 10.684 1.300 -10.459 1.00 0.00 N ATOM 754 NH2 ARG A 142 12.614 2.338 -11.020 1.00 0.00 N ATOM 0 H ARG A 142 8.096 3.668 -6.313 1.00 0.00 H new ATOM 0 HA ARG A 142 6.756 5.610 -8.174 1.00 0.00 H new ATOM 0 HB2 ARG A 142 8.529 4.458 -9.782 1.00 0.00 H new ATOM 0 HB3 ARG A 142 9.025 5.770 -8.732 1.00 0.00 H new ATOM 0 HG2 ARG A 142 9.727 4.073 -6.990 1.00 0.00 H new ATOM 0 HG3 ARG A 142 9.295 2.786 -8.098 1.00 0.00 H new ATOM 0 HD2 ARG A 142 11.375 4.964 -8.653 1.00 0.00 H new ATOM 0 HD3 ARG A 142 11.742 3.310 -8.208 1.00 0.00 H new ATOM 0 HE ARG A 142 10.434 4.140 -10.819 1.00 0.00 H new ATOM 0 HH11 ARG A 142 9.736 1.340 -10.085 1.00 0.00 H new ATOM 0 HH12 ARG A 142 11.074 0.409 -10.767 1.00 0.00 H new ATOM 0 HH21 ARG A 142 13.173 3.189 -11.084 1.00 0.00 H new ATOM 0 HH22 ARG A 142 13.004 1.447 -11.328 1.00 0.00 H new ATOM 768 N CYS A 143 6.168 2.546 -7.750 1.00 0.00 N ATOM 769 CA CYS A 143 5.372 1.383 -8.235 1.00 0.00 C ATOM 770 C CYS A 143 3.881 1.678 -8.061 1.00 0.00 C ATOM 771 O CYS A 143 3.037 1.020 -8.637 1.00 0.00 O ATOM 772 CB CYS A 143 5.742 0.138 -7.428 1.00 0.00 C ATOM 773 SG CYS A 143 7.396 -0.421 -7.903 1.00 0.00 S ATOM 0 H CYS A 143 6.427 2.513 -6.764 1.00 0.00 H new ATOM 0 HA CYS A 143 5.588 1.210 -9.289 1.00 0.00 H new ATOM 0 HB2 CYS A 143 5.715 0.362 -6.362 1.00 0.00 H new ATOM 0 HB3 CYS A 143 5.014 -0.653 -7.606 1.00 0.00 H new ATOM 0 HG CYS A 143 7.627 -1.588 -7.378 1.00 0.00 H new ATOM 778 N VAL A 144 3.550 2.663 -7.271 1.00 0.00 N ATOM 779 CA VAL A 144 2.112 2.997 -7.060 1.00 0.00 C ATOM 780 C VAL A 144 1.509 3.495 -8.376 1.00 0.00 C ATOM 781 O VAL A 144 0.351 3.265 -8.665 1.00 0.00 O ATOM 782 CB VAL A 144 1.994 4.090 -5.997 1.00 0.00 C ATOM 783 CG1 VAL A 144 0.537 4.544 -5.891 1.00 0.00 C ATOM 784 CG2 VAL A 144 2.453 3.538 -4.646 1.00 0.00 C ATOM 0 H VAL A 144 4.212 3.250 -6.763 1.00 0.00 H new ATOM 0 HA VAL A 144 1.575 2.109 -6.727 1.00 0.00 H new ATOM 0 HB VAL A 144 2.620 4.937 -6.277 1.00 0.00 H new ATOM 0 HG11 VAL A 144 0.453 5.323 -5.133 1.00 0.00 H new ATOM 0 HG12 VAL A 144 0.207 4.936 -6.853 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -0.089 3.697 -5.611 1.00 0.00 H new ATOM 0 HG21 VAL A 144 2.369 4.316 -3.888 1.00 0.00 H new ATOM 0 HG22 VAL A 144 1.826 2.691 -4.367 1.00 0.00 H new ATOM 0 HG23 VAL A 144 3.491 3.213 -4.719 1.00 0.00 H new ATOM 794 N ARG A 145 2.285 4.174 -9.175 1.00 0.00 N ATOM 795 CA ARG A 145 1.757 4.684 -10.471 1.00 0.00 C ATOM 796 C ARG A 145 1.563 3.515 -11.438 1.00 0.00 C ATOM 797 O ARG A 145 0.951 3.651 -12.479 1.00 0.00 O ATOM 798 CB ARG A 145 2.751 5.681 -11.070 1.00 0.00 C ATOM 799 CG ARG A 145 2.185 7.098 -10.960 1.00 0.00 C ATOM 800 CD ARG A 145 2.778 7.974 -12.065 1.00 0.00 C ATOM 801 NE ARG A 145 3.835 8.852 -11.489 1.00 0.00 N ATOM 802 CZ ARG A 145 3.547 10.076 -11.140 1.00 0.00 C ATOM 803 NH1 ARG A 145 2.845 10.300 -10.064 1.00 0.00 N ATOM 804 NH2 ARG A 145 3.962 11.077 -11.868 1.00 0.00 N ATOM 0 H ARG A 145 3.262 4.398 -8.986 1.00 0.00 H new ATOM 0 HA ARG A 145 0.801 5.180 -10.304 1.00 0.00 H new ATOM 0 HB2 ARG A 145 3.705 5.618 -10.547 1.00 0.00 H new ATOM 0 HB3 ARG A 145 2.943 5.435 -12.114 1.00 0.00 H new ATOM 0 HG2 ARG A 145 1.099 7.074 -11.044 1.00 0.00 H new ATOM 0 HG3 ARG A 145 2.420 7.519 -9.983 1.00 0.00 H new ATOM 0 HD2 ARG A 145 3.199 7.349 -12.853 1.00 0.00 H new ATOM 0 HD3 ARG A 145 1.996 8.580 -12.522 1.00 0.00 H new ATOM 0 HE ARG A 145 4.783 8.497 -11.368 1.00 0.00 H new ATOM 0 HH11 ARG A 145 2.521 9.518 -9.495 1.00 0.00 H new ATOM 0 HH12 ARG A 145 2.620 11.257 -9.792 1.00 0.00 H new ATOM 0 HH21 ARG A 145 4.511 10.902 -12.710 1.00 0.00 H new ATOM 0 HH22 ARG A 145 3.737 12.034 -11.595 1.00 0.00 H new ATOM 818 N SER A 146 2.082 2.365 -11.104 1.00 0.00 N ATOM 819 CA SER A 146 1.928 1.189 -12.006 1.00 0.00 C ATOM 820 C SER A 146 0.726 0.354 -11.559 1.00 0.00 C ATOM 821 O SER A 146 0.195 -0.438 -12.311 1.00 0.00 O ATOM 822 CB SER A 146 3.193 0.331 -11.944 1.00 0.00 C ATOM 823 OG SER A 146 4.335 1.177 -11.949 1.00 0.00 O ATOM 0 H SER A 146 2.605 2.189 -10.246 1.00 0.00 H new ATOM 0 HA SER A 146 1.770 1.535 -13.028 1.00 0.00 H new ATOM 0 HB2 SER A 146 3.186 -0.284 -11.044 1.00 0.00 H new ATOM 0 HB3 SER A 146 3.227 -0.350 -12.795 1.00 0.00 H new ATOM 0 HG SER A 146 5.147 0.630 -11.908 1.00 0.00 H new ATOM 829 N VAL A 147 0.293 0.524 -10.339 1.00 0.00 N ATOM 830 CA VAL A 147 -0.875 -0.263 -9.849 1.00 0.00 C ATOM 831 C VAL A 147 -2.170 0.359 -10.387 1.00 0.00 C ATOM 832 O VAL A 147 -2.327 1.564 -10.370 1.00 0.00 O ATOM 833 CB VAL A 147 -0.895 -0.240 -8.319 1.00 0.00 C ATOM 834 CG1 VAL A 147 -1.815 -1.348 -7.803 1.00 0.00 C ATOM 835 CG2 VAL A 147 0.522 -0.469 -7.788 1.00 0.00 C ATOM 0 H VAL A 147 0.696 1.172 -9.662 1.00 0.00 H new ATOM 0 HA VAL A 147 -0.795 -1.293 -10.197 1.00 0.00 H new ATOM 0 HB VAL A 147 -1.262 0.727 -7.976 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -1.829 -1.331 -6.713 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -2.825 -1.188 -8.181 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -1.448 -2.315 -8.146 1.00 0.00 H new ATOM 0 HG21 VAL A 147 0.509 -0.453 -6.698 1.00 0.00 H new ATOM 0 HG22 VAL A 147 0.888 -1.436 -8.132 1.00 0.00 H new ATOM 0 HG23 VAL A 147 1.180 0.319 -8.155 1.00 0.00 H new ATOM 845 N PRO A 148 -3.063 -0.482 -10.850 1.00 0.00 N ATOM 846 CA PRO A 148 -4.357 -0.041 -11.401 1.00 0.00 C ATOM 847 C PRO A 148 -5.337 0.290 -10.270 1.00 0.00 C ATOM 848 O PRO A 148 -6.499 0.559 -10.503 1.00 0.00 O ATOM 849 CB PRO A 148 -4.839 -1.255 -12.199 1.00 0.00 C ATOM 850 CG PRO A 148 -4.107 -2.484 -11.609 1.00 0.00 C ATOM 851 CD PRO A 148 -2.867 -1.947 -10.870 1.00 0.00 C ATOM 0 HA PRO A 148 -4.278 0.861 -12.008 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -5.920 -1.370 -12.116 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -4.611 -1.139 -13.259 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -4.757 -3.031 -10.927 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -3.817 -3.178 -12.398 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -2.798 -2.353 -9.861 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -1.947 -2.219 -11.387 1.00 0.00 H new ATOM 859 N SER A 149 -4.878 0.268 -9.049 1.00 0.00 N ATOM 860 CA SER A 149 -5.785 0.579 -7.908 1.00 0.00 C ATOM 861 C SER A 149 -6.695 -0.621 -7.641 1.00 0.00 C ATOM 862 O SER A 149 -7.862 -0.614 -7.980 1.00 0.00 O ATOM 863 CB SER A 149 -6.639 1.800 -8.251 1.00 0.00 C ATOM 864 OG SER A 149 -5.944 2.609 -9.192 1.00 0.00 O ATOM 0 H SER A 149 -3.916 0.048 -8.792 1.00 0.00 H new ATOM 0 HA SER A 149 -5.191 0.791 -7.019 1.00 0.00 H new ATOM 0 HB2 SER A 149 -7.597 1.484 -8.663 1.00 0.00 H new ATOM 0 HB3 SER A 149 -6.853 2.373 -7.349 1.00 0.00 H new ATOM 0 HG SER A 149 -6.251 2.394 -10.098 1.00 0.00 H new ATOM 870 N LEU A 150 -6.172 -1.652 -7.036 1.00 0.00 N ATOM 871 CA LEU A 150 -7.009 -2.851 -6.748 1.00 0.00 C ATOM 872 C LEU A 150 -7.310 -2.917 -5.249 1.00 0.00 C ATOM 873 O LEU A 150 -7.325 -3.977 -4.655 1.00 0.00 O ATOM 874 CB LEU A 150 -6.255 -4.113 -7.173 1.00 0.00 C ATOM 875 CG LEU A 150 -5.672 -3.915 -8.573 1.00 0.00 C ATOM 876 CD1 LEU A 150 -4.287 -4.563 -8.645 1.00 0.00 C ATOM 877 CD2 LEU A 150 -6.593 -4.568 -9.605 1.00 0.00 C ATOM 0 H LEU A 150 -5.201 -1.716 -6.729 1.00 0.00 H new ATOM 0 HA LEU A 150 -7.945 -2.782 -7.303 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -5.457 -4.328 -6.463 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.928 -4.971 -7.166 1.00 0.00 H new ATOM 0 HG LEU A 150 -5.587 -2.849 -8.784 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -3.871 -4.422 -9.643 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -3.630 -4.100 -7.909 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -4.373 -5.629 -8.435 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -6.178 -4.427 -10.603 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -6.678 -5.634 -9.394 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -7.580 -4.108 -9.554 1.00 0.00 H new ATOM 889 N CYS A 151 -7.549 -1.792 -4.633 1.00 0.00 N ATOM 890 CA CYS A 151 -7.849 -1.791 -3.174 1.00 0.00 C ATOM 891 C CYS A 151 -9.345 -2.033 -2.960 1.00 0.00 C ATOM 892 O CYS A 151 -10.176 -1.508 -3.674 1.00 0.00 O ATOM 893 CB CYS A 151 -7.460 -0.438 -2.573 1.00 0.00 C ATOM 894 SG CYS A 151 -7.129 -0.635 -0.805 1.00 0.00 S ATOM 0 H CYS A 151 -7.549 -0.874 -5.077 1.00 0.00 H new ATOM 0 HA CYS A 151 -7.280 -2.582 -2.686 1.00 0.00 H new ATOM 0 HB2 CYS A 151 -6.577 -0.044 -3.077 1.00 0.00 H new ATOM 0 HB3 CYS A 151 -8.263 0.284 -2.725 1.00 0.00 H new ATOM 0 HG CYS A 151 -5.968 -0.123 -0.521 1.00 0.00 H new