USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=22 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= -7.01 K(o=-12,f=-19!) USER MOD Set 1.2: A 132 CYS SG : rot 1:sc= -2.3! USER MOD Set 1.3: A 135 CYS SG : rot -56:sc= -0.741! USER MOD Set 1.4: A 151 CYS SG : rot -150:sc= -1.54 USER MOD Set 2.1: A 107 HIS : no HD1:sc= -2.93 K(o=-4,f=0.44) USER MOD Set 2.2: A 109 TYR OH : rot 180:sc= -0.951 USER MOD Set 2.3: A 131 LYS NZ :NH3+ 169:sc= -0.15 (180deg=-0.035) USER MOD Set 2.4: A 133 SER OG : rot 180:sc= 0.036 USER MOD Set 3.1: A 115 CYS SG : rot 28:sc= -0.402! USER MOD Set 3.2: A 117 HIS : no HD1:sc= -1.19 K(o=-29,f=-28) USER MOD Set 3.3: A 118 CYS SG : rot -57:sc= -4.41! USER MOD Set 3.4: A 140 HIS : no HE2:sc= -21.1! C(o=-29!,f=-34!) USER MOD Set 3.5: A 143 CYS SG : rot -170:sc= -1.97! USER MOD Set 4.1: A 113 THR OG1 : rot 180:sc= 0.0233 USER MOD Set 4.2: A 128 GLN : amide:sc= -15.3! C(o=-15!,f=-19!) USER MOD Single : A 103 LYS NZ :NH3+ -153:sc= -0.523 (180deg=-2.77!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= -0.274 USER MOD Single : A 111 SER OG : rot 62:sc= 1.06 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 127 HIS : no HD1:sc= -0.962 X(o=-0.96,f=-0.55) USER MOD Single : A 130 MET CE :methyl 175:sc= -5.4! (180deg=-6.01!) USER MOD Single : A 134 CYS SG : rot 19:sc= -0.312 USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 ASN : amide:sc= -2.69! C(o=-2.7!,f=-7.9!) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 149 SER OG : rot -54:sc= -0.0634 USER MOD ----------------------------------------------------------------- ATOM 132 N HIS A 102 -5.635 2.866 -2.938 1.00 0.00 N ATOM 133 CA HIS A 102 -5.020 2.464 -1.642 1.00 0.00 C ATOM 134 C HIS A 102 -4.620 3.714 -0.856 1.00 0.00 C ATOM 135 O HIS A 102 -4.217 4.711 -1.422 1.00 0.00 O ATOM 136 CB HIS A 102 -3.768 1.624 -1.907 1.00 0.00 C ATOM 137 CG HIS A 102 -4.124 0.428 -2.744 1.00 0.00 C ATOM 138 ND1 HIS A 102 -4.796 -0.667 -2.223 1.00 0.00 N ATOM 139 CD2 HIS A 102 -3.900 0.137 -4.065 1.00 0.00 C ATOM 140 CE1 HIS A 102 -4.953 -1.558 -3.220 1.00 0.00 C ATOM 141 NE2 HIS A 102 -4.425 -1.116 -4.365 1.00 0.00 N ATOM 0 HA HIS A 102 -5.741 1.881 -1.069 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -3.017 2.226 -2.418 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -3.329 1.301 -0.963 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -5.114 -0.777 -1.260 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -3.393 0.783 -4.767 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -5.445 -2.513 -3.108 1.00 0.00 H new ATOM 148 N LYS A 103 -4.711 3.664 0.444 1.00 0.00 N ATOM 149 CA LYS A 103 -4.315 4.846 1.260 1.00 0.00 C ATOM 150 C LYS A 103 -2.830 4.726 1.597 1.00 0.00 C ATOM 151 O LYS A 103 -2.431 4.807 2.742 1.00 0.00 O ATOM 152 CB LYS A 103 -5.135 4.880 2.552 1.00 0.00 C ATOM 153 CG LYS A 103 -5.318 6.332 3.000 1.00 0.00 C ATOM 154 CD LYS A 103 -6.468 6.968 2.217 1.00 0.00 C ATOM 155 CE LYS A 103 -5.978 8.248 1.537 1.00 0.00 C ATOM 156 NZ LYS A 103 -5.073 8.988 2.462 1.00 0.00 N ATOM 0 H LYS A 103 -5.041 2.858 0.975 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.499 5.764 0.702 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -6.106 4.412 2.392 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.631 4.308 3.331 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -5.527 6.370 4.069 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -4.398 6.893 2.835 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.844 6.268 1.471 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.297 7.195 2.888 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -5.451 8.004 0.614 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.827 8.875 1.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -5.103 10.003 2.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.384 8.840 3.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -4.100 8.637 2.350 1.00 0.00 H new ATOM 170 N PHE A 104 -2.013 4.518 0.601 1.00 0.00 N ATOM 171 CA PHE A 104 -0.550 4.373 0.838 1.00 0.00 C ATOM 172 C PHE A 104 -0.083 5.381 1.889 1.00 0.00 C ATOM 173 O PHE A 104 -0.449 6.538 1.867 1.00 0.00 O ATOM 174 CB PHE A 104 0.206 4.619 -0.469 1.00 0.00 C ATOM 175 CG PHE A 104 0.119 3.391 -1.341 1.00 0.00 C ATOM 176 CD1 PHE A 104 0.334 2.122 -0.789 1.00 0.00 C ATOM 177 CD2 PHE A 104 -0.177 3.521 -2.706 1.00 0.00 C ATOM 178 CE1 PHE A 104 0.255 0.982 -1.599 1.00 0.00 C ATOM 179 CE2 PHE A 104 -0.256 2.381 -3.516 1.00 0.00 C ATOM 180 CZ PHE A 104 -0.040 1.112 -2.964 1.00 0.00 C ATOM 0 H PHE A 104 -2.300 4.442 -0.375 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.349 3.364 1.197 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.217 5.478 -0.990 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.249 4.855 -0.259 1.00 0.00 H new ATOM 0 HD1 PHE A 104 0.561 2.022 0.262 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.344 4.499 -3.132 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.421 0.004 -1.173 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -0.484 2.481 -4.567 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.101 0.234 -3.589 1.00 0.00 H new ATOM 190 N ARG A 105 0.735 4.942 2.805 1.00 0.00 N ATOM 191 CA ARG A 105 1.248 5.855 3.859 1.00 0.00 C ATOM 192 C ARG A 105 2.638 5.381 4.280 1.00 0.00 C ATOM 193 O ARG A 105 2.787 4.354 4.913 1.00 0.00 O ATOM 194 CB ARG A 105 0.307 5.825 5.065 1.00 0.00 C ATOM 195 CG ARG A 105 -0.104 7.252 5.426 1.00 0.00 C ATOM 196 CD ARG A 105 -1.183 7.735 4.455 1.00 0.00 C ATOM 197 NE ARG A 105 -2.245 8.457 5.211 1.00 0.00 N ATOM 198 CZ ARG A 105 -2.346 9.754 5.115 1.00 0.00 C ATOM 199 NH1 ARG A 105 -2.418 10.319 3.941 1.00 0.00 N ATOM 200 NH2 ARG A 105 -2.376 10.488 6.194 1.00 0.00 N ATOM 0 H ARG A 105 1.072 3.981 2.867 1.00 0.00 H new ATOM 0 HA ARG A 105 1.302 6.874 3.476 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -0.576 5.228 4.836 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.801 5.352 5.914 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.479 7.286 6.449 1.00 0.00 H new ATOM 0 HG3 ARG A 105 0.762 7.913 5.382 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.744 8.393 3.705 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.614 6.887 3.922 1.00 0.00 H new ATOM 0 HE ARG A 105 -2.893 7.937 5.803 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -2.395 9.746 3.097 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -2.497 11.333 3.867 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.320 10.047 7.112 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.455 11.502 6.119 1.00 0.00 H new ATOM 214 N LEU A 106 3.661 6.112 3.932 1.00 0.00 N ATOM 215 CA LEU A 106 5.033 5.688 4.310 1.00 0.00 C ATOM 216 C LEU A 106 5.054 5.328 5.797 1.00 0.00 C ATOM 217 O LEU A 106 4.825 6.156 6.655 1.00 0.00 O ATOM 218 CB LEU A 106 6.024 6.819 4.015 1.00 0.00 C ATOM 219 CG LEU A 106 5.839 7.965 5.011 1.00 0.00 C ATOM 220 CD1 LEU A 106 6.751 9.128 4.618 1.00 0.00 C ATOM 221 CD2 LEU A 106 4.384 8.439 4.998 1.00 0.00 C ATOM 0 H LEU A 106 3.604 6.982 3.403 1.00 0.00 H new ATOM 0 HA LEU A 106 5.325 4.814 3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.045 6.441 4.072 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.876 7.185 2.999 1.00 0.00 H new ATOM 0 HG LEU A 106 6.094 7.615 6.011 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.622 9.947 5.326 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.789 8.797 4.632 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.493 9.470 3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.261 9.255 5.710 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.124 8.787 3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.730 7.613 5.276 1.00 0.00 H new ATOM 233 N HIS A 107 5.313 4.088 6.105 1.00 0.00 N ATOM 234 CA HIS A 107 5.339 3.664 7.534 1.00 0.00 C ATOM 235 C HIS A 107 6.785 3.613 8.027 1.00 0.00 C ATOM 236 O HIS A 107 7.710 3.917 7.301 1.00 0.00 O ATOM 237 CB HIS A 107 4.706 2.278 7.666 1.00 0.00 C ATOM 238 CG HIS A 107 3.381 2.397 8.367 1.00 0.00 C ATOM 239 ND1 HIS A 107 2.594 3.535 8.270 1.00 0.00 N ATOM 240 CD2 HIS A 107 2.691 1.533 9.179 1.00 0.00 C ATOM 241 CE1 HIS A 107 1.486 3.325 9.005 1.00 0.00 C ATOM 242 NE2 HIS A 107 1.494 2.120 9.581 1.00 0.00 N ATOM 0 H HIS A 107 5.508 3.349 5.429 1.00 0.00 H new ATOM 0 HA HIS A 107 4.777 4.379 8.134 1.00 0.00 H new ATOM 0 HB2 HIS A 107 4.569 1.833 6.680 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.367 1.616 8.225 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.026 0.546 9.464 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.687 4.044 9.116 1.00 0.00 H new ATOM 0 HE2 HIS A 107 0.778 1.717 10.185 1.00 0.00 H new ATOM 250 N SER A 108 6.986 3.233 9.259 1.00 0.00 N ATOM 251 CA SER A 108 8.373 3.164 9.798 1.00 0.00 C ATOM 252 C SER A 108 8.581 1.828 10.515 1.00 0.00 C ATOM 253 O SER A 108 8.155 1.641 11.637 1.00 0.00 O ATOM 254 CB SER A 108 8.590 4.310 10.787 1.00 0.00 C ATOM 255 OG SER A 108 7.884 5.459 10.336 1.00 0.00 O ATOM 0 H SER A 108 6.251 2.968 9.914 1.00 0.00 H new ATOM 0 HA SER A 108 9.085 3.248 8.977 1.00 0.00 H new ATOM 0 HB2 SER A 108 8.242 4.021 11.779 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.653 4.533 10.875 1.00 0.00 H new ATOM 0 HG SER A 108 8.020 6.195 10.968 1.00 0.00 H new ATOM 261 N TYR A 109 9.237 0.897 9.876 1.00 0.00 N ATOM 262 CA TYR A 109 9.475 -0.424 10.522 1.00 0.00 C ATOM 263 C TYR A 109 10.963 -0.568 10.845 1.00 0.00 C ATOM 264 O TYR A 109 11.459 -1.656 11.061 1.00 0.00 O ATOM 265 CB TYR A 109 9.054 -1.548 9.569 1.00 0.00 C ATOM 266 CG TYR A 109 7.592 -1.406 9.205 1.00 0.00 C ATOM 267 CD1 TYR A 109 6.751 -0.573 9.958 1.00 0.00 C ATOM 268 CD2 TYR A 109 7.077 -2.113 8.110 1.00 0.00 C ATOM 269 CE1 TYR A 109 5.398 -0.448 9.615 1.00 0.00 C ATOM 270 CE2 TYR A 109 5.724 -1.988 7.767 1.00 0.00 C ATOM 271 CZ TYR A 109 4.885 -1.156 8.519 1.00 0.00 C ATOM 272 OH TYR A 109 3.552 -1.033 8.180 1.00 0.00 O ATOM 0 H TYR A 109 9.618 0.995 8.935 1.00 0.00 H new ATOM 0 HA TYR A 109 8.890 -0.488 11.439 1.00 0.00 H new ATOM 0 HB2 TYR A 109 9.665 -1.518 8.667 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.227 -2.516 10.039 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.146 -0.028 10.802 1.00 0.00 H new ATOM 0 HD2 TYR A 109 7.724 -2.755 7.530 1.00 0.00 H new ATOM 0 HE1 TYR A 109 4.751 0.193 10.195 1.00 0.00 H new ATOM 0 HE2 TYR A 109 5.328 -2.533 6.923 1.00 0.00 H new ATOM 0 HH TYR A 109 3.361 -1.589 7.396 1.00 0.00 H new ATOM 282 N SER A 110 11.680 0.521 10.874 1.00 0.00 N ATOM 283 CA SER A 110 13.137 0.447 11.176 1.00 0.00 C ATOM 284 C SER A 110 13.886 -0.072 9.945 1.00 0.00 C ATOM 285 O SER A 110 15.074 -0.319 9.988 1.00 0.00 O ATOM 286 CB SER A 110 13.370 -0.503 12.351 1.00 0.00 C ATOM 287 OG SER A 110 12.356 -0.301 13.327 1.00 0.00 O ATOM 0 H SER A 110 11.320 1.460 10.702 1.00 0.00 H new ATOM 0 HA SER A 110 13.504 1.440 11.435 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.358 -1.537 12.006 1.00 0.00 H new ATOM 0 HB3 SER A 110 14.352 -0.325 12.788 1.00 0.00 H new ATOM 0 HG SER A 110 12.502 -0.910 14.081 1.00 0.00 H new ATOM 293 N SER A 111 13.199 -0.239 8.847 1.00 0.00 N ATOM 294 CA SER A 111 13.871 -0.741 7.617 1.00 0.00 C ATOM 295 C SER A 111 12.843 -0.848 6.487 1.00 0.00 C ATOM 296 O SER A 111 11.659 -0.965 6.738 1.00 0.00 O ATOM 297 CB SER A 111 14.473 -2.120 7.891 1.00 0.00 C ATOM 298 OG SER A 111 15.798 -1.964 8.383 1.00 0.00 O ATOM 0 H SER A 111 12.202 -0.049 8.750 1.00 0.00 H new ATOM 0 HA SER A 111 14.664 -0.051 7.326 1.00 0.00 H new ATOM 0 HB2 SER A 111 13.864 -2.658 8.617 1.00 0.00 H new ATOM 0 HB3 SER A 111 14.479 -2.715 6.978 1.00 0.00 H new ATOM 0 HG SER A 111 15.777 -1.465 9.226 1.00 0.00 H new ATOM 304 N PRO A 112 13.328 -0.806 5.273 1.00 0.00 N ATOM 305 CA PRO A 112 12.477 -0.898 4.075 1.00 0.00 C ATOM 306 C PRO A 112 12.042 -2.344 3.829 1.00 0.00 C ATOM 307 O PRO A 112 12.838 -3.261 3.862 1.00 0.00 O ATOM 308 CB PRO A 112 13.381 -0.388 2.950 1.00 0.00 C ATOM 309 CG PRO A 112 14.837 -0.557 3.445 1.00 0.00 C ATOM 310 CD PRO A 112 14.769 -0.665 4.981 1.00 0.00 C ATOM 0 HA PRO A 112 11.554 -0.324 4.161 1.00 0.00 H new ATOM 0 HB2 PRO A 112 13.215 -0.953 2.033 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.167 0.657 2.724 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.292 -1.449 3.013 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.450 0.292 3.143 1.00 0.00 H new ATOM 0 HD2 PRO A 112 15.334 -1.523 5.345 1.00 0.00 H new ATOM 0 HD3 PRO A 112 15.188 0.220 5.461 1.00 0.00 H new ATOM 318 N THR A 113 10.776 -2.549 3.585 1.00 0.00 N ATOM 319 CA THR A 113 10.272 -3.926 3.337 1.00 0.00 C ATOM 320 C THR A 113 10.358 -4.235 1.846 1.00 0.00 C ATOM 321 O THR A 113 10.827 -3.435 1.061 1.00 0.00 O ATOM 322 CB THR A 113 8.815 -4.024 3.795 1.00 0.00 C ATOM 323 OG1 THR A 113 8.596 -3.122 4.871 1.00 0.00 O ATOM 324 CG2 THR A 113 8.518 -5.451 4.255 1.00 0.00 C ATOM 0 H THR A 113 10.067 -1.817 3.547 1.00 0.00 H new ATOM 0 HA THR A 113 10.877 -4.642 3.893 1.00 0.00 H new ATOM 0 HB THR A 113 8.156 -3.767 2.966 1.00 0.00 H new ATOM 0 HG1 THR A 113 7.663 -3.183 5.164 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.480 -5.520 4.581 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.685 -6.142 3.429 1.00 0.00 H new ATOM 0 HG23 THR A 113 9.177 -5.711 5.084 1.00 0.00 H new ATOM 332 N PHE A 114 9.914 -5.390 1.453 1.00 0.00 N ATOM 333 CA PHE A 114 9.976 -5.756 0.012 1.00 0.00 C ATOM 334 C PHE A 114 8.829 -5.080 -0.740 1.00 0.00 C ATOM 335 O PHE A 114 8.105 -4.272 -0.192 1.00 0.00 O ATOM 336 CB PHE A 114 9.857 -7.275 -0.137 1.00 0.00 C ATOM 337 CG PHE A 114 11.233 -7.895 -0.094 1.00 0.00 C ATOM 338 CD1 PHE A 114 11.856 -8.136 1.138 1.00 0.00 C ATOM 339 CD2 PHE A 114 11.887 -8.231 -1.288 1.00 0.00 C ATOM 340 CE1 PHE A 114 13.133 -8.712 1.176 1.00 0.00 C ATOM 341 CE2 PHE A 114 13.164 -8.807 -1.249 1.00 0.00 C ATOM 342 CZ PHE A 114 13.787 -9.047 -0.017 1.00 0.00 C ATOM 0 H PHE A 114 9.510 -6.099 2.065 1.00 0.00 H new ATOM 0 HA PHE A 114 10.927 -5.423 -0.403 1.00 0.00 H new ATOM 0 HB2 PHE A 114 9.238 -7.682 0.663 1.00 0.00 H new ATOM 0 HB3 PHE A 114 9.365 -7.521 -1.078 1.00 0.00 H new ATOM 0 HD1 PHE A 114 11.352 -7.878 2.058 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.407 -8.046 -2.237 1.00 0.00 H new ATOM 0 HE1 PHE A 114 13.613 -8.898 2.125 1.00 0.00 H new ATOM 0 HE2 PHE A 114 13.668 -9.066 -2.168 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.771 -9.490 0.013 1.00 0.00 H new ATOM 352 N CYS A 115 8.666 -5.394 -1.995 1.00 0.00 N ATOM 353 CA CYS A 115 7.575 -4.757 -2.787 1.00 0.00 C ATOM 354 C CYS A 115 6.709 -5.838 -3.438 1.00 0.00 C ATOM 355 O CYS A 115 7.204 -6.785 -4.019 1.00 0.00 O ATOM 356 CB CYS A 115 8.202 -3.865 -3.858 1.00 0.00 C ATOM 357 SG CYS A 115 6.970 -3.405 -5.099 1.00 0.00 S ATOM 0 H CYS A 115 9.240 -6.064 -2.507 1.00 0.00 H new ATOM 0 HA CYS A 115 6.943 -4.154 -2.135 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.615 -2.968 -3.397 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.031 -4.388 -4.336 1.00 0.00 H new ATOM 0 HG CYS A 115 5.788 -3.401 -4.557 1.00 0.00 H new ATOM 362 N ASP A 116 5.415 -5.698 -3.341 1.00 0.00 N ATOM 363 CA ASP A 116 4.501 -6.712 -3.946 1.00 0.00 C ATOM 364 C ASP A 116 4.210 -6.358 -5.404 1.00 0.00 C ATOM 365 O ASP A 116 3.124 -6.576 -5.903 1.00 0.00 O ATOM 366 CB ASP A 116 3.186 -6.747 -3.174 1.00 0.00 C ATOM 367 CG ASP A 116 2.770 -5.328 -2.786 1.00 0.00 C ATOM 368 OD1 ASP A 116 2.900 -4.445 -3.617 1.00 0.00 O ATOM 369 OD2 ASP A 116 2.329 -5.148 -1.662 1.00 0.00 O ATOM 0 H ASP A 116 4.949 -4.924 -2.868 1.00 0.00 H new ATOM 0 HA ASP A 116 4.985 -7.688 -3.899 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.409 -7.209 -3.783 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.296 -7.360 -2.279 1.00 0.00 H new ATOM 374 N HIS A 117 5.172 -5.821 -6.088 1.00 0.00 N ATOM 375 CA HIS A 117 4.963 -5.456 -7.518 1.00 0.00 C ATOM 376 C HIS A 117 6.221 -5.800 -8.310 1.00 0.00 C ATOM 377 O HIS A 117 6.155 -6.285 -9.422 1.00 0.00 O ATOM 378 CB HIS A 117 4.683 -3.955 -7.631 1.00 0.00 C ATOM 379 CG HIS A 117 4.712 -3.550 -9.079 1.00 0.00 C ATOM 380 ND1 HIS A 117 3.555 -3.381 -9.824 1.00 0.00 N ATOM 381 CD2 HIS A 117 5.752 -3.275 -9.935 1.00 0.00 C ATOM 382 CE1 HIS A 117 3.922 -3.021 -11.067 1.00 0.00 C ATOM 383 NE2 HIS A 117 5.250 -2.943 -11.189 1.00 0.00 N ATOM 0 H HIS A 117 6.101 -5.616 -5.721 1.00 0.00 H new ATOM 0 HA HIS A 117 4.113 -6.010 -7.916 1.00 0.00 H new ATOM 0 HB2 HIS A 117 3.711 -3.721 -7.196 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.428 -3.391 -7.069 1.00 0.00 H new ATOM 0 HD2 HIS A 117 6.799 -3.311 -9.674 1.00 0.00 H new ATOM 0 HE1 HIS A 117 3.227 -2.819 -11.869 1.00 0.00 H new ATOM 0 HE2 HIS A 117 5.782 -2.693 -12.023 1.00 0.00 H new ATOM 391 N CYS A 118 7.370 -5.552 -7.744 1.00 0.00 N ATOM 392 CA CYS A 118 8.636 -5.863 -8.461 1.00 0.00 C ATOM 393 C CYS A 118 9.384 -6.970 -7.715 1.00 0.00 C ATOM 394 O CYS A 118 10.356 -7.512 -8.202 1.00 0.00 O ATOM 395 CB CYS A 118 9.508 -4.608 -8.523 1.00 0.00 C ATOM 396 SG CYS A 118 9.711 -3.934 -6.855 1.00 0.00 S ATOM 0 H CYS A 118 7.486 -5.147 -6.815 1.00 0.00 H new ATOM 0 HA CYS A 118 8.409 -6.197 -9.474 1.00 0.00 H new ATOM 0 HB2 CYS A 118 10.481 -4.849 -8.951 1.00 0.00 H new ATOM 0 HB3 CYS A 118 9.049 -3.864 -9.174 1.00 0.00 H new ATOM 0 HG CYS A 118 8.543 -3.686 -6.342 1.00 0.00 H new ATOM 401 N GLY A 119 8.940 -7.313 -6.534 1.00 0.00 N ATOM 402 CA GLY A 119 9.630 -8.384 -5.763 1.00 0.00 C ATOM 403 C GLY A 119 11.031 -7.912 -5.372 1.00 0.00 C ATOM 404 O GLY A 119 11.985 -8.664 -5.415 1.00 0.00 O ATOM 0 H GLY A 119 8.131 -6.898 -6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 119 9.056 -8.631 -4.870 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.695 -9.293 -6.361 1.00 0.00 H new ATOM 408 N SER A 120 11.163 -6.670 -4.994 1.00 0.00 N ATOM 409 CA SER A 120 12.503 -6.150 -4.603 1.00 0.00 C ATOM 410 C SER A 120 12.389 -5.386 -3.283 1.00 0.00 C ATOM 411 O SER A 120 11.309 -5.033 -2.851 1.00 0.00 O ATOM 412 CB SER A 120 13.019 -5.209 -5.692 1.00 0.00 C ATOM 413 OG SER A 120 13.320 -5.964 -6.859 1.00 0.00 O ATOM 0 H SER A 120 10.401 -5.994 -4.939 1.00 0.00 H new ATOM 0 HA SER A 120 13.195 -6.983 -4.482 1.00 0.00 H new ATOM 0 HB2 SER A 120 12.270 -4.450 -5.919 1.00 0.00 H new ATOM 0 HB3 SER A 120 13.909 -4.684 -5.344 1.00 0.00 H new ATOM 0 HG SER A 120 13.650 -5.364 -7.561 1.00 0.00 H new ATOM 419 N LEU A 121 13.495 -5.125 -2.641 1.00 0.00 N ATOM 420 CA LEU A 121 13.449 -4.380 -1.352 1.00 0.00 C ATOM 421 C LEU A 121 13.534 -2.879 -1.622 1.00 0.00 C ATOM 422 O LEU A 121 14.324 -2.422 -2.425 1.00 0.00 O ATOM 423 CB LEU A 121 14.620 -4.806 -0.464 1.00 0.00 C ATOM 424 CG LEU A 121 14.186 -5.968 0.430 1.00 0.00 C ATOM 425 CD1 LEU A 121 15.418 -6.761 0.873 1.00 0.00 C ATOM 426 CD2 LEU A 121 13.466 -5.414 1.664 1.00 0.00 C ATOM 0 H LEU A 121 14.428 -5.395 -2.954 1.00 0.00 H new ATOM 0 HA LEU A 121 12.511 -4.605 -0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.468 -5.105 -1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 121 14.951 -3.967 0.148 1.00 0.00 H new ATOM 0 HG LEU A 121 13.514 -6.623 -0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 121 15.108 -7.589 1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 121 15.934 -7.152 -0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 121 16.091 -6.108 1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 121 13.155 -6.239 2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 121 14.141 -4.761 2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 121 12.589 -4.848 1.350 1.00 0.00 H new ATOM 438 N LEU A 122 12.726 -2.109 -0.950 1.00 0.00 N ATOM 439 CA LEU A 122 12.753 -0.632 -1.156 1.00 0.00 C ATOM 440 C LEU A 122 14.173 -0.119 -0.900 1.00 0.00 C ATOM 441 O LEU A 122 14.548 0.163 0.220 1.00 0.00 O ATOM 442 CB LEU A 122 11.785 0.034 -0.174 1.00 0.00 C ATOM 443 CG LEU A 122 10.405 -0.621 -0.281 1.00 0.00 C ATOM 444 CD1 LEU A 122 9.715 -0.574 1.082 1.00 0.00 C ATOM 445 CD2 LEU A 122 9.556 0.142 -1.301 1.00 0.00 C ATOM 0 H LEU A 122 12.046 -2.438 -0.265 1.00 0.00 H new ATOM 0 HA LEU A 122 12.454 -0.394 -2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 122 12.164 -0.059 0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 122 11.710 1.100 -0.390 1.00 0.00 H new ATOM 0 HG LEU A 122 10.519 -1.657 -0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.732 -1.040 1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 122 10.318 -1.112 1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 122 9.602 0.463 1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.574 -0.324 -1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 122 9.443 1.177 -0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 122 10.046 0.117 -2.274 1.00 0.00 H new ATOM 457 N TYR A 123 14.969 -0.003 -1.929 1.00 0.00 N ATOM 458 CA TYR A 123 16.366 0.484 -1.739 1.00 0.00 C ATOM 459 C TYR A 123 16.401 2.011 -1.830 1.00 0.00 C ATOM 460 O TYR A 123 15.960 2.596 -2.800 1.00 0.00 O ATOM 461 CB TYR A 123 17.265 -0.112 -2.825 1.00 0.00 C ATOM 462 CG TYR A 123 17.778 -1.458 -2.371 1.00 0.00 C ATOM 463 CD1 TYR A 123 17.006 -2.245 -1.506 1.00 0.00 C ATOM 464 CD2 TYR A 123 19.024 -1.918 -2.815 1.00 0.00 C ATOM 465 CE1 TYR A 123 17.481 -3.494 -1.085 1.00 0.00 C ATOM 466 CE2 TYR A 123 19.500 -3.168 -2.392 1.00 0.00 C ATOM 467 CZ TYR A 123 18.729 -3.956 -1.527 1.00 0.00 C ATOM 468 OH TYR A 123 19.196 -5.185 -1.112 1.00 0.00 O ATOM 0 H TYR A 123 14.713 -0.224 -2.891 1.00 0.00 H new ATOM 0 HA TYR A 123 16.724 0.175 -0.757 1.00 0.00 H new ATOM 0 HB2 TYR A 123 16.708 -0.218 -3.756 1.00 0.00 H new ATOM 0 HB3 TYR A 123 18.100 0.558 -3.029 1.00 0.00 H new ATOM 0 HD1 TYR A 123 16.045 -1.889 -1.164 1.00 0.00 H new ATOM 0 HD2 TYR A 123 19.618 -1.311 -3.482 1.00 0.00 H new ATOM 0 HE1 TYR A 123 16.886 -4.101 -0.420 1.00 0.00 H new ATOM 0 HE2 TYR A 123 20.461 -3.523 -2.733 1.00 0.00 H new ATOM 0 HH TYR A 123 20.075 -5.353 -1.511 1.00 0.00 H new ATOM 478 N GLY A 124 16.928 2.659 -0.827 1.00 0.00 N ATOM 479 CA GLY A 124 16.999 4.148 -0.851 1.00 0.00 C ATOM 480 C GLY A 124 15.672 4.724 -1.350 1.00 0.00 C ATOM 481 O GLY A 124 15.449 4.856 -2.537 1.00 0.00 O ATOM 0 H GLY A 124 17.313 2.221 0.010 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.217 4.527 0.148 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.813 4.472 -1.500 1.00 0.00 H new ATOM 485 N LEU A 125 14.790 5.070 -0.453 1.00 0.00 N ATOM 486 CA LEU A 125 13.481 5.639 -0.879 1.00 0.00 C ATOM 487 C LEU A 125 12.894 6.482 0.253 1.00 0.00 C ATOM 488 O LEU A 125 13.054 7.687 0.290 1.00 0.00 O ATOM 489 CB LEU A 125 12.517 4.500 -1.217 1.00 0.00 C ATOM 490 CG LEU A 125 12.797 3.995 -2.633 1.00 0.00 C ATOM 491 CD1 LEU A 125 11.752 2.944 -3.015 1.00 0.00 C ATOM 492 CD2 LEU A 125 12.723 5.166 -3.615 1.00 0.00 C ATOM 0 H LEU A 125 14.919 4.983 0.555 1.00 0.00 H new ATOM 0 HA LEU A 125 13.629 6.266 -1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 125 12.633 3.687 -0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 125 11.487 4.847 -1.141 1.00 0.00 H new ATOM 0 HG LEU A 125 13.791 3.550 -2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 125 11.951 2.583 -4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 125 11.802 2.110 -2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 125 10.758 3.389 -2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 125 12.922 4.807 -4.625 1.00 0.00 H new ATOM 0 HD22 LEU A 125 11.728 5.610 -3.578 1.00 0.00 H new ATOM 0 HD23 LEU A 125 13.466 5.916 -3.343 1.00 0.00 H new ATOM 504 N VAL A 126 12.215 5.860 1.178 1.00 0.00 N ATOM 505 CA VAL A 126 11.616 6.629 2.307 1.00 0.00 C ATOM 506 C VAL A 126 11.544 5.740 3.547 1.00 0.00 C ATOM 507 O VAL A 126 11.700 4.538 3.469 1.00 0.00 O ATOM 508 CB VAL A 126 10.207 7.083 1.925 1.00 0.00 C ATOM 509 CG1 VAL A 126 10.290 8.359 1.084 1.00 0.00 C ATOM 510 CG2 VAL A 126 9.517 5.983 1.116 1.00 0.00 C ATOM 0 H VAL A 126 12.049 4.854 1.201 1.00 0.00 H new ATOM 0 HA VAL A 126 12.234 7.501 2.519 1.00 0.00 H new ATOM 0 HB VAL A 126 9.633 7.282 2.830 1.00 0.00 H new ATOM 0 HG11 VAL A 126 9.285 8.682 0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 126 10.780 9.144 1.661 1.00 0.00 H new ATOM 0 HG13 VAL A 126 10.865 8.162 0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 126 8.513 6.307 0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 126 10.091 5.782 0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 126 9.455 5.075 1.716 1.00 0.00 H new ATOM 520 N HIS A 127 11.300 6.319 4.691 1.00 0.00 N ATOM 521 CA HIS A 127 11.208 5.501 5.932 1.00 0.00 C ATOM 522 C HIS A 127 10.367 4.259 5.642 1.00 0.00 C ATOM 523 O HIS A 127 9.161 4.328 5.529 1.00 0.00 O ATOM 524 CB HIS A 127 10.541 6.324 7.035 1.00 0.00 C ATOM 525 CG HIS A 127 11.134 5.955 8.367 1.00 0.00 C ATOM 526 ND1 HIS A 127 11.003 6.767 9.483 1.00 0.00 N ATOM 527 CD2 HIS A 127 11.863 4.867 8.779 1.00 0.00 C ATOM 528 CE1 HIS A 127 11.637 6.160 10.502 1.00 0.00 C ATOM 529 NE2 HIS A 127 12.179 4.999 10.127 1.00 0.00 N ATOM 0 H HIS A 127 11.161 7.321 4.819 1.00 0.00 H new ATOM 0 HA HIS A 127 12.205 5.205 6.258 1.00 0.00 H new ATOM 0 HB2 HIS A 127 10.682 7.388 6.845 1.00 0.00 H new ATOM 0 HB3 HIS A 127 9.467 6.141 7.040 1.00 0.00 H new ATOM 0 HD2 HIS A 127 12.148 4.035 8.152 1.00 0.00 H new ATOM 0 HE1 HIS A 127 11.700 6.563 11.502 1.00 0.00 H new ATOM 0 HE2 HIS A 127 12.711 4.348 10.705 1.00 0.00 H new ATOM 537 N GLN A 128 10.993 3.123 5.505 1.00 0.00 N ATOM 538 CA GLN A 128 10.221 1.886 5.207 1.00 0.00 C ATOM 539 C GLN A 128 9.663 1.980 3.783 1.00 0.00 C ATOM 540 O GLN A 128 10.309 2.493 2.890 1.00 0.00 O ATOM 541 CB GLN A 128 9.071 1.751 6.208 1.00 0.00 C ATOM 542 CG GLN A 128 8.803 0.270 6.482 1.00 0.00 C ATOM 543 CD GLN A 128 7.325 -0.037 6.231 1.00 0.00 C ATOM 544 OE1 GLN A 128 6.473 0.352 7.004 1.00 0.00 O ATOM 545 NE2 GLN A 128 6.984 -0.721 5.173 1.00 0.00 N ATOM 0 H GLN A 128 12.002 2.999 5.586 1.00 0.00 H new ATOM 0 HA GLN A 128 10.869 1.013 5.288 1.00 0.00 H new ATOM 0 HB2 GLN A 128 9.321 2.264 7.137 1.00 0.00 H new ATOM 0 HB3 GLN A 128 8.173 2.227 5.813 1.00 0.00 H new ATOM 0 HG2 GLN A 128 9.428 -0.349 5.838 1.00 0.00 H new ATOM 0 HG3 GLN A 128 9.066 0.026 7.511 1.00 0.00 H new ATOM 0 HE21 GLN A 128 7.700 -1.047 4.524 1.00 0.00 H new ATOM 0 HE22 GLN A 128 6.001 -0.929 4.995 1.00 0.00 H new ATOM 554 N GLY A 129 8.471 1.498 3.560 1.00 0.00 N ATOM 555 CA GLY A 129 7.882 1.572 2.193 1.00 0.00 C ATOM 556 C GLY A 129 6.491 2.195 2.274 1.00 0.00 C ATOM 557 O GLY A 129 6.099 2.728 3.294 1.00 0.00 O ATOM 0 H GLY A 129 7.880 1.057 4.265 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.522 2.167 1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 129 7.821 0.575 1.757 1.00 0.00 H new ATOM 561 N MET A 130 5.735 2.129 1.213 1.00 0.00 N ATOM 562 CA MET A 130 4.368 2.716 1.245 1.00 0.00 C ATOM 563 C MET A 130 3.379 1.652 1.718 1.00 0.00 C ATOM 564 O MET A 130 3.131 0.677 1.036 1.00 0.00 O ATOM 565 CB MET A 130 3.977 3.191 -0.157 1.00 0.00 C ATOM 566 CG MET A 130 5.138 3.973 -0.776 1.00 0.00 C ATOM 567 SD MET A 130 4.957 5.730 -0.383 1.00 0.00 S ATOM 568 CE MET A 130 6.461 5.893 0.609 1.00 0.00 C ATOM 0 H MET A 130 6.004 1.696 0.330 1.00 0.00 H new ATOM 0 HA MET A 130 4.351 3.565 1.928 1.00 0.00 H new ATOM 0 HB2 MET A 130 3.725 2.336 -0.785 1.00 0.00 H new ATOM 0 HB3 MET A 130 3.089 3.820 -0.104 1.00 0.00 H new ATOM 0 HG2 MET A 130 6.088 3.599 -0.393 1.00 0.00 H new ATOM 0 HG3 MET A 130 5.152 3.830 -1.857 1.00 0.00 H new ATOM 0 HE1 MET A 130 6.601 6.937 0.889 1.00 0.00 H new ATOM 0 HE2 MET A 130 6.371 5.285 1.509 1.00 0.00 H new ATOM 0 HE3 MET A 130 7.319 5.555 0.027 1.00 0.00 H new ATOM 578 N LYS A 131 2.820 1.827 2.883 1.00 0.00 N ATOM 579 CA LYS A 131 1.855 0.820 3.402 1.00 0.00 C ATOM 580 C LYS A 131 0.425 1.329 3.211 1.00 0.00 C ATOM 581 O LYS A 131 0.058 2.375 3.707 1.00 0.00 O ATOM 582 CB LYS A 131 2.118 0.583 4.890 1.00 0.00 C ATOM 583 CG LYS A 131 1.059 -0.364 5.458 1.00 0.00 C ATOM 584 CD LYS A 131 0.726 0.048 6.894 1.00 0.00 C ATOM 585 CE LYS A 131 -0.763 0.381 6.997 1.00 0.00 C ATOM 586 NZ LYS A 131 -0.925 1.799 7.424 1.00 0.00 N ATOM 0 H LYS A 131 2.990 2.623 3.497 1.00 0.00 H new ATOM 0 HA LYS A 131 1.980 -0.115 2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 131 3.112 0.158 5.030 1.00 0.00 H new ATOM 0 HB3 LYS A 131 2.098 1.531 5.428 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.160 -0.334 4.842 1.00 0.00 H new ATOM 0 HG3 LYS A 131 1.425 -1.391 5.438 1.00 0.00 H new ATOM 0 HD2 LYS A 131 0.978 -0.759 7.583 1.00 0.00 H new ATOM 0 HD3 LYS A 131 1.324 0.912 7.184 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -1.250 0.222 6.035 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -1.247 -0.283 7.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -1.920 2.083 7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -0.644 1.896 8.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -0.325 2.410 6.834 1.00 0.00 H new ATOM 600 N CYS A 132 -0.387 0.595 2.500 1.00 0.00 N ATOM 601 CA CYS A 132 -1.792 1.040 2.285 1.00 0.00 C ATOM 602 C CYS A 132 -2.549 0.982 3.614 1.00 0.00 C ATOM 603 O CYS A 132 -2.678 -0.063 4.223 1.00 0.00 O ATOM 604 CB CYS A 132 -2.476 0.124 1.267 1.00 0.00 C ATOM 605 SG CYS A 132 -4.251 0.480 1.228 1.00 0.00 S ATOM 0 H CYS A 132 -0.139 -0.291 2.060 1.00 0.00 H new ATOM 0 HA CYS A 132 -1.794 2.062 1.905 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -2.043 0.274 0.278 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -2.310 -0.920 1.532 1.00 0.00 H new ATOM 0 HG CYS A 132 -4.519 1.442 2.060 1.00 0.00 H new ATOM 610 N SER A 133 -3.047 2.100 4.067 1.00 0.00 N ATOM 611 CA SER A 133 -3.794 2.119 5.358 1.00 0.00 C ATOM 612 C SER A 133 -5.253 1.722 5.114 1.00 0.00 C ATOM 613 O SER A 133 -6.168 2.344 5.616 1.00 0.00 O ATOM 614 CB SER A 133 -3.742 3.524 5.955 1.00 0.00 C ATOM 615 OG SER A 133 -3.777 3.434 7.373 1.00 0.00 O ATOM 0 H SER A 133 -2.969 3.003 3.599 1.00 0.00 H new ATOM 0 HA SER A 133 -3.338 1.411 6.050 1.00 0.00 H new ATOM 0 HB2 SER A 133 -2.834 4.034 5.634 1.00 0.00 H new ATOM 0 HB3 SER A 133 -4.584 4.115 5.596 1.00 0.00 H new ATOM 0 HG SER A 133 -3.742 4.334 7.759 1.00 0.00 H new ATOM 621 N CYS A 134 -5.477 0.688 4.350 1.00 0.00 N ATOM 622 CA CYS A 134 -6.874 0.247 4.078 1.00 0.00 C ATOM 623 C CYS A 134 -6.898 -1.272 3.896 1.00 0.00 C ATOM 624 O CYS A 134 -7.804 -1.946 4.343 1.00 0.00 O ATOM 625 CB CYS A 134 -7.384 0.922 2.802 1.00 0.00 C ATOM 626 SG CYS A 134 -7.895 2.616 3.180 1.00 0.00 S ATOM 0 H CYS A 134 -4.751 0.129 3.902 1.00 0.00 H new ATOM 0 HA CYS A 134 -7.514 0.525 4.915 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -6.602 0.927 2.043 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -8.223 0.361 2.391 1.00 0.00 H new ATOM 0 HG CYS A 134 -7.355 2.992 4.301 1.00 0.00 H new ATOM 632 N CYS A 135 -5.906 -1.815 3.244 1.00 0.00 N ATOM 633 CA CYS A 135 -5.870 -3.289 3.034 1.00 0.00 C ATOM 634 C CYS A 135 -4.525 -3.842 3.515 1.00 0.00 C ATOM 635 O CYS A 135 -4.258 -5.022 3.407 1.00 0.00 O ATOM 636 CB CYS A 135 -6.043 -3.596 1.546 1.00 0.00 C ATOM 637 SG CYS A 135 -4.609 -2.973 0.632 1.00 0.00 S ATOM 0 H CYS A 135 -5.119 -1.301 2.848 1.00 0.00 H new ATOM 0 HA CYS A 135 -6.677 -3.755 3.599 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -6.146 -4.671 1.395 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -6.956 -3.133 1.172 1.00 0.00 H new ATOM 0 HG CYS A 135 -4.464 -1.703 0.866 1.00 0.00 H new ATOM 642 N GLU A 136 -3.675 -3.000 4.041 1.00 0.00 N ATOM 643 CA GLU A 136 -2.350 -3.485 4.521 1.00 0.00 C ATOM 644 C GLU A 136 -1.522 -3.962 3.327 1.00 0.00 C ATOM 645 O GLU A 136 -1.230 -5.133 3.187 1.00 0.00 O ATOM 646 CB GLU A 136 -2.552 -4.642 5.503 1.00 0.00 C ATOM 647 CG GLU A 136 -3.523 -4.215 6.605 1.00 0.00 C ATOM 648 CD GLU A 136 -4.671 -5.222 6.695 1.00 0.00 C ATOM 649 OE1 GLU A 136 -4.471 -6.267 7.292 1.00 0.00 O ATOM 650 OE2 GLU A 136 -5.731 -4.930 6.167 1.00 0.00 O ATOM 0 H GLU A 136 -3.841 -2.000 4.158 1.00 0.00 H new ATOM 0 HA GLU A 136 -1.826 -2.673 5.025 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -2.942 -5.514 4.978 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -1.596 -4.934 5.939 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -3.002 -4.156 7.560 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -3.914 -3.220 6.394 1.00 0.00 H new ATOM 657 N MET A 137 -1.141 -3.059 2.466 1.00 0.00 N ATOM 658 CA MET A 137 -0.333 -3.448 1.277 1.00 0.00 C ATOM 659 C MET A 137 1.028 -2.749 1.358 1.00 0.00 C ATOM 660 O MET A 137 1.243 -1.903 2.198 1.00 0.00 O ATOM 661 CB MET A 137 -1.067 -3.007 0.008 1.00 0.00 C ATOM 662 CG MET A 137 -0.754 -3.972 -1.139 1.00 0.00 C ATOM 663 SD MET A 137 -0.953 -3.114 -2.720 1.00 0.00 S ATOM 664 CE MET A 137 -1.447 -4.556 -3.697 1.00 0.00 C ATOM 0 H MET A 137 -1.356 -2.064 2.536 1.00 0.00 H new ATOM 0 HA MET A 137 -0.189 -4.528 1.253 1.00 0.00 H new ATOM 0 HB2 MET A 137 -2.141 -2.981 0.190 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.765 -1.996 -0.264 1.00 0.00 H new ATOM 0 HG2 MET A 137 0.264 -4.349 -1.043 1.00 0.00 H new ATOM 0 HG3 MET A 137 -1.419 -4.834 -1.095 1.00 0.00 H new ATOM 0 HE1 MET A 137 -1.625 -4.253 -4.729 1.00 0.00 H new ATOM 0 HE2 MET A 137 -0.654 -5.303 -3.670 1.00 0.00 H new ATOM 0 HE3 MET A 137 -2.360 -4.982 -3.281 1.00 0.00 H new ATOM 674 N ASN A 138 1.949 -3.093 0.498 1.00 0.00 N ATOM 675 CA ASN A 138 3.288 -2.436 0.543 1.00 0.00 C ATOM 676 C ASN A 138 3.862 -2.352 -0.874 1.00 0.00 C ATOM 677 O ASN A 138 3.920 -3.335 -1.590 1.00 0.00 O ATOM 678 CB ASN A 138 4.229 -3.258 1.427 1.00 0.00 C ATOM 679 CG ASN A 138 4.065 -2.830 2.887 1.00 0.00 C ATOM 680 OD1 ASN A 138 3.418 -1.843 3.174 1.00 0.00 O ATOM 681 ND2 ASN A 138 4.628 -3.538 3.828 1.00 0.00 N ATOM 0 H ASN A 138 1.833 -3.797 -0.231 1.00 0.00 H new ATOM 0 HA ASN A 138 3.187 -1.432 0.955 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.008 -4.320 1.322 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.262 -3.114 1.109 1.00 0.00 H new ATOM 0 HD21 ASN A 138 4.525 -3.262 4.805 1.00 0.00 H new ATOM 0 HD22 ASN A 138 5.171 -4.367 3.587 1.00 0.00 H new ATOM 688 N VAL A 139 4.285 -1.188 -1.291 1.00 0.00 N ATOM 689 CA VAL A 139 4.849 -1.053 -2.665 1.00 0.00 C ATOM 690 C VAL A 139 5.961 -0.001 -2.677 1.00 0.00 C ATOM 691 O VAL A 139 6.234 0.647 -1.684 1.00 0.00 O ATOM 692 CB VAL A 139 3.741 -0.624 -3.628 1.00 0.00 C ATOM 693 CG1 VAL A 139 2.948 -1.853 -4.077 1.00 0.00 C ATOM 694 CG2 VAL A 139 2.805 0.355 -2.919 1.00 0.00 C ATOM 0 H VAL A 139 4.264 -0.329 -0.742 1.00 0.00 H new ATOM 0 HA VAL A 139 5.261 -2.013 -2.976 1.00 0.00 H new ATOM 0 HB VAL A 139 4.183 -0.141 -4.499 1.00 0.00 H new ATOM 0 HG11 VAL A 139 2.159 -1.546 -4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 139 3.615 -2.552 -4.581 1.00 0.00 H new ATOM 0 HG13 VAL A 139 2.504 -2.337 -3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.014 0.663 -3.603 1.00 0.00 H new ATOM 0 HG22 VAL A 139 2.363 -0.130 -2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 139 3.369 1.231 -2.599 1.00 0.00 H new ATOM 704 N HIS A 140 6.601 0.170 -3.804 1.00 0.00 N ATOM 705 CA HIS A 140 7.696 1.177 -3.907 1.00 0.00 C ATOM 706 C HIS A 140 7.092 2.558 -4.165 1.00 0.00 C ATOM 707 O HIS A 140 5.897 2.752 -4.063 1.00 0.00 O ATOM 708 CB HIS A 140 8.616 0.810 -5.076 1.00 0.00 C ATOM 709 CG HIS A 140 9.590 -0.251 -4.644 1.00 0.00 C ATOM 710 ND1 HIS A 140 9.473 -1.569 -5.054 1.00 0.00 N ATOM 711 CD2 HIS A 140 10.701 -0.204 -3.840 1.00 0.00 C ATOM 712 CE1 HIS A 140 10.489 -2.256 -4.496 1.00 0.00 C ATOM 713 NE2 HIS A 140 11.266 -1.471 -3.747 1.00 0.00 N ATOM 0 H HIS A 140 6.410 -0.348 -4.662 1.00 0.00 H new ATOM 0 HA HIS A 140 8.266 1.190 -2.978 1.00 0.00 H new ATOM 0 HB2 HIS A 140 8.024 0.452 -5.918 1.00 0.00 H new ATOM 0 HB3 HIS A 140 9.155 1.694 -5.418 1.00 0.00 H new ATOM 0 HD1 HIS A 140 8.751 -1.949 -5.666 1.00 0.00 H new ATOM 0 HD2 HIS A 140 11.079 0.683 -3.353 1.00 0.00 H new ATOM 0 HE1 HIS A 140 10.654 -3.314 -4.638 1.00 0.00 H new ATOM 720 N ARG A 141 7.907 3.517 -4.510 1.00 0.00 N ATOM 721 CA ARG A 141 7.378 4.880 -4.788 1.00 0.00 C ATOM 722 C ARG A 141 7.077 5.004 -6.283 1.00 0.00 C ATOM 723 O ARG A 141 6.200 5.736 -6.693 1.00 0.00 O ATOM 724 CB ARG A 141 8.420 5.925 -4.386 1.00 0.00 C ATOM 725 CG ARG A 141 8.300 6.219 -2.891 1.00 0.00 C ATOM 726 CD ARG A 141 8.934 7.578 -2.587 1.00 0.00 C ATOM 727 NE ARG A 141 10.145 7.760 -3.436 1.00 0.00 N ATOM 728 CZ ARG A 141 10.771 8.906 -3.441 1.00 0.00 C ATOM 729 NH1 ARG A 141 10.553 9.772 -2.491 1.00 0.00 N ATOM 730 NH2 ARG A 141 11.612 9.185 -4.399 1.00 0.00 N ATOM 0 H ARG A 141 8.917 3.414 -4.611 1.00 0.00 H new ATOM 0 HA ARG A 141 6.466 5.045 -4.215 1.00 0.00 H new ATOM 0 HB2 ARG A 141 9.422 5.562 -4.616 1.00 0.00 H new ATOM 0 HB3 ARG A 141 8.273 6.840 -4.960 1.00 0.00 H new ATOM 0 HG2 ARG A 141 7.252 6.220 -2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 141 8.795 5.437 -2.315 1.00 0.00 H new ATOM 0 HD2 ARG A 141 8.218 8.377 -2.779 1.00 0.00 H new ATOM 0 HD3 ARG A 141 9.203 7.638 -1.532 1.00 0.00 H new ATOM 0 HE ARG A 141 10.485 6.990 -4.013 1.00 0.00 H new ATOM 0 HH11 ARG A 141 9.894 9.554 -1.744 1.00 0.00 H new ATOM 0 HH12 ARG A 141 11.042 10.667 -2.495 1.00 0.00 H new ATOM 0 HH21 ARG A 141 11.780 8.508 -5.143 1.00 0.00 H new ATOM 0 HH22 ARG A 141 12.101 10.080 -4.404 1.00 0.00 H new ATOM 744 N ARG A 142 7.801 4.285 -7.099 1.00 0.00 N ATOM 745 CA ARG A 142 7.561 4.351 -8.568 1.00 0.00 C ATOM 746 C ARG A 142 6.633 3.203 -8.978 1.00 0.00 C ATOM 747 O ARG A 142 6.160 3.145 -10.095 1.00 0.00 O ATOM 748 CB ARG A 142 8.896 4.222 -9.309 1.00 0.00 C ATOM 749 CG ARG A 142 8.638 3.940 -10.791 1.00 0.00 C ATOM 750 CD ARG A 142 9.972 3.848 -11.534 1.00 0.00 C ATOM 751 NE ARG A 142 9.716 3.682 -12.993 1.00 0.00 N ATOM 752 CZ ARG A 142 9.684 2.489 -13.519 1.00 0.00 C ATOM 753 NH1 ARG A 142 9.235 1.480 -12.822 1.00 0.00 N ATOM 754 NH2 ARG A 142 10.099 2.303 -14.742 1.00 0.00 N ATOM 0 H ARG A 142 8.549 3.654 -6.810 1.00 0.00 H new ATOM 0 HA ARG A 142 7.098 5.304 -8.823 1.00 0.00 H new ATOM 0 HB2 ARG A 142 9.474 5.139 -9.199 1.00 0.00 H new ATOM 0 HB3 ARG A 142 9.488 3.417 -8.874 1.00 0.00 H new ATOM 0 HG2 ARG A 142 8.082 3.009 -10.903 1.00 0.00 H new ATOM 0 HG3 ARG A 142 8.024 4.731 -11.221 1.00 0.00 H new ATOM 0 HD2 ARG A 142 10.562 4.747 -11.357 1.00 0.00 H new ATOM 0 HD3 ARG A 142 10.553 3.006 -11.158 1.00 0.00 H new ATOM 0 HE ARG A 142 9.566 4.502 -13.581 1.00 0.00 H new ATOM 0 HH11 ARG A 142 8.909 1.625 -11.866 1.00 0.00 H new ATOM 0 HH12 ARG A 142 9.210 0.547 -13.233 1.00 0.00 H new ATOM 0 HH21 ARG A 142 10.449 3.091 -15.287 1.00 0.00 H new ATOM 0 HH22 ARG A 142 10.074 1.370 -15.153 1.00 0.00 H new ATOM 768 N CYS A 143 6.371 2.291 -8.082 1.00 0.00 N ATOM 769 CA CYS A 143 5.475 1.149 -8.421 1.00 0.00 C ATOM 770 C CYS A 143 4.028 1.527 -8.096 1.00 0.00 C ATOM 771 O CYS A 143 3.098 0.857 -8.496 1.00 0.00 O ATOM 772 CB CYS A 143 5.877 -0.077 -7.597 1.00 0.00 C ATOM 773 SG CYS A 143 7.518 -0.643 -8.115 1.00 0.00 S ATOM 0 H CYS A 143 6.738 2.287 -7.130 1.00 0.00 H new ATOM 0 HA CYS A 143 5.564 0.919 -9.483 1.00 0.00 H new ATOM 0 HB2 CYS A 143 5.885 0.172 -6.536 1.00 0.00 H new ATOM 0 HB3 CYS A 143 5.146 -0.874 -7.732 1.00 0.00 H new ATOM 0 HG CYS A 143 7.771 -1.796 -7.571 1.00 0.00 H new ATOM 778 N VAL A 144 3.834 2.596 -7.374 1.00 0.00 N ATOM 779 CA VAL A 144 2.448 3.017 -7.023 1.00 0.00 C ATOM 780 C VAL A 144 1.678 3.355 -8.301 1.00 0.00 C ATOM 781 O VAL A 144 0.533 2.980 -8.465 1.00 0.00 O ATOM 782 CB VAL A 144 2.503 4.250 -6.120 1.00 0.00 C ATOM 783 CG1 VAL A 144 1.081 4.702 -5.782 1.00 0.00 C ATOM 784 CG2 VAL A 144 3.246 3.903 -4.828 1.00 0.00 C ATOM 0 H VAL A 144 4.575 3.196 -7.012 1.00 0.00 H new ATOM 0 HA VAL A 144 1.944 2.205 -6.499 1.00 0.00 H new ATOM 0 HB VAL A 144 3.026 5.054 -6.638 1.00 0.00 H new ATOM 0 HG11 VAL A 144 1.122 5.581 -5.138 1.00 0.00 H new ATOM 0 HG12 VAL A 144 0.550 4.950 -6.701 1.00 0.00 H new ATOM 0 HG13 VAL A 144 0.557 3.898 -5.265 1.00 0.00 H new ATOM 0 HG21 VAL A 144 3.286 4.781 -4.184 1.00 0.00 H new ATOM 0 HG22 VAL A 144 2.722 3.098 -4.312 1.00 0.00 H new ATOM 0 HG23 VAL A 144 4.260 3.582 -5.066 1.00 0.00 H new ATOM 794 N ARG A 145 2.294 4.064 -9.206 1.00 0.00 N ATOM 795 CA ARG A 145 1.596 4.428 -10.471 1.00 0.00 C ATOM 796 C ARG A 145 1.443 3.184 -11.350 1.00 0.00 C ATOM 797 O ARG A 145 0.803 3.218 -12.382 1.00 0.00 O ATOM 798 CB ARG A 145 2.414 5.483 -11.219 1.00 0.00 C ATOM 799 CG ARG A 145 1.755 5.776 -12.569 1.00 0.00 C ATOM 800 CD ARG A 145 0.294 6.171 -12.347 1.00 0.00 C ATOM 801 NE ARG A 145 0.235 7.408 -11.518 1.00 0.00 N ATOM 802 CZ ARG A 145 0.084 8.570 -12.091 1.00 0.00 C ATOM 803 NH1 ARG A 145 1.001 9.022 -12.903 1.00 0.00 N ATOM 804 NH2 ARG A 145 -0.984 9.282 -11.852 1.00 0.00 N ATOM 0 H ARG A 145 3.251 4.407 -9.124 1.00 0.00 H new ATOM 0 HA ARG A 145 0.610 4.829 -10.237 1.00 0.00 H new ATOM 0 HB2 ARG A 145 2.478 6.396 -10.627 1.00 0.00 H new ATOM 0 HB3 ARG A 145 3.434 5.129 -11.369 1.00 0.00 H new ATOM 0 HG2 ARG A 145 2.287 6.579 -13.079 1.00 0.00 H new ATOM 0 HG3 ARG A 145 1.812 4.898 -13.212 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -0.198 6.338 -13.305 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -0.241 5.362 -11.851 1.00 0.00 H new ATOM 0 HE ARG A 145 0.313 7.346 -10.503 1.00 0.00 H new ATOM 0 HH11 ARG A 145 1.836 8.466 -13.089 1.00 0.00 H new ATOM 0 HH12 ARG A 145 0.883 9.931 -13.351 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -1.700 8.930 -11.217 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -1.102 10.191 -12.300 1.00 0.00 H new ATOM 818 N SER A 146 2.027 2.087 -10.952 1.00 0.00 N ATOM 819 CA SER A 146 1.914 0.844 -11.766 1.00 0.00 C ATOM 820 C SER A 146 0.841 -0.065 -11.164 1.00 0.00 C ATOM 821 O SER A 146 0.412 -1.025 -11.773 1.00 0.00 O ATOM 822 CB SER A 146 3.257 0.114 -11.770 1.00 0.00 C ATOM 823 OG SER A 146 4.295 1.042 -12.056 1.00 0.00 O ATOM 0 H SER A 146 2.578 1.998 -10.098 1.00 0.00 H new ATOM 0 HA SER A 146 1.638 1.103 -12.788 1.00 0.00 H new ATOM 0 HB2 SER A 146 3.431 -0.357 -10.802 1.00 0.00 H new ATOM 0 HB3 SER A 146 3.249 -0.682 -12.515 1.00 0.00 H new ATOM 0 HG SER A 146 5.158 0.577 -12.058 1.00 0.00 H new ATOM 829 N VAL A 147 0.406 0.229 -9.969 1.00 0.00 N ATOM 830 CA VAL A 147 -0.638 -0.618 -9.326 1.00 0.00 C ATOM 831 C VAL A 147 -2.016 -0.238 -9.881 1.00 0.00 C ATOM 832 O VAL A 147 -2.291 0.924 -10.104 1.00 0.00 O ATOM 833 CB VAL A 147 -0.615 -0.384 -7.813 1.00 0.00 C ATOM 834 CG1 VAL A 147 -1.367 -1.511 -7.105 1.00 0.00 C ATOM 835 CG2 VAL A 147 0.836 -0.358 -7.327 1.00 0.00 C ATOM 0 H VAL A 147 0.729 1.019 -9.410 1.00 0.00 H new ATOM 0 HA VAL A 147 -0.439 -1.669 -9.537 1.00 0.00 H new ATOM 0 HB VAL A 147 -1.096 0.568 -7.587 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -1.348 -1.341 -6.029 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -2.400 -1.532 -7.451 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -0.889 -2.465 -7.330 1.00 0.00 H new ATOM 0 HG21 VAL A 147 0.856 -0.192 -6.250 1.00 0.00 H new ATOM 0 HG22 VAL A 147 1.313 -1.311 -7.556 1.00 0.00 H new ATOM 0 HG23 VAL A 147 1.373 0.447 -7.829 1.00 0.00 H new ATOM 845 N PRO A 148 -2.845 -1.233 -10.089 1.00 0.00 N ATOM 846 CA PRO A 148 -4.205 -1.033 -10.618 1.00 0.00 C ATOM 847 C PRO A 148 -5.148 -0.548 -9.512 1.00 0.00 C ATOM 848 O PRO A 148 -6.346 -0.466 -9.697 1.00 0.00 O ATOM 849 CB PRO A 148 -4.609 -2.428 -11.104 1.00 0.00 C ATOM 850 CG PRO A 148 -3.725 -3.433 -10.330 1.00 0.00 C ATOM 851 CD PRO A 148 -2.503 -2.646 -9.820 1.00 0.00 C ATOM 0 HA PRO A 148 -4.250 -0.280 -11.405 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -5.666 -2.614 -10.914 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -4.456 -2.524 -12.179 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -4.276 -3.873 -9.499 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -3.414 -4.254 -10.977 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -2.333 -2.819 -8.757 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -1.593 -2.942 -10.341 1.00 0.00 H new ATOM 859 N SER A 149 -4.618 -0.228 -8.361 1.00 0.00 N ATOM 860 CA SER A 149 -5.485 0.251 -7.246 1.00 0.00 C ATOM 861 C SER A 149 -6.530 -0.816 -6.915 1.00 0.00 C ATOM 862 O SER A 149 -7.716 -0.606 -7.068 1.00 0.00 O ATOM 863 CB SER A 149 -6.184 1.547 -7.662 1.00 0.00 C ATOM 864 OG SER A 149 -7.328 1.233 -8.447 1.00 0.00 O ATOM 0 H SER A 149 -3.622 -0.278 -8.145 1.00 0.00 H new ATOM 0 HA SER A 149 -4.872 0.439 -6.365 1.00 0.00 H new ATOM 0 HB2 SER A 149 -6.479 2.114 -6.779 1.00 0.00 H new ATOM 0 HB3 SER A 149 -5.500 2.176 -8.231 1.00 0.00 H new ATOM 0 HG SER A 149 -7.063 0.662 -9.198 1.00 0.00 H new ATOM 870 N LEU A 150 -6.098 -1.961 -6.461 1.00 0.00 N ATOM 871 CA LEU A 150 -7.065 -3.041 -6.118 1.00 0.00 C ATOM 872 C LEU A 150 -7.472 -2.911 -4.649 1.00 0.00 C ATOM 873 O LEU A 150 -7.613 -3.890 -3.944 1.00 0.00 O ATOM 874 CB LEU A 150 -6.410 -4.404 -6.347 1.00 0.00 C ATOM 875 CG LEU A 150 -5.724 -4.418 -7.714 1.00 0.00 C ATOM 876 CD1 LEU A 150 -4.522 -5.364 -7.675 1.00 0.00 C ATOM 877 CD2 LEU A 150 -6.716 -4.901 -8.776 1.00 0.00 C ATOM 0 H LEU A 150 -5.116 -2.195 -6.313 1.00 0.00 H new ATOM 0 HA LEU A 150 -7.949 -2.953 -6.750 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -5.682 -4.606 -5.561 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -7.161 -5.193 -6.297 1.00 0.00 H new ATOM 0 HG LEU A 150 -5.386 -3.411 -7.960 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -4.034 -5.373 -8.650 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -3.815 -5.023 -6.919 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -4.859 -6.371 -7.429 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -6.229 -4.912 -9.751 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -7.053 -5.907 -8.528 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -7.573 -4.228 -8.806 1.00 0.00 H new ATOM 889 N CYS A 151 -7.660 -1.707 -4.180 1.00 0.00 N ATOM 890 CA CYS A 151 -8.055 -1.514 -2.757 1.00 0.00 C ATOM 891 C CYS A 151 -9.565 -1.717 -2.612 1.00 0.00 C ATOM 892 O CYS A 151 -10.349 -1.170 -3.361 1.00 0.00 O ATOM 893 CB CYS A 151 -7.687 -0.096 -2.314 1.00 0.00 C ATOM 894 SG CYS A 151 -7.333 -0.089 -0.540 1.00 0.00 S ATOM 0 H CYS A 151 -7.557 -0.849 -4.722 1.00 0.00 H new ATOM 0 HA CYS A 151 -7.530 -2.238 -2.134 1.00 0.00 H new ATOM 0 HB2 CYS A 151 -6.818 0.256 -2.870 1.00 0.00 H new ATOM 0 HB3 CYS A 151 -8.506 0.589 -2.535 1.00 0.00 H new ATOM 0 HG CYS A 151 -7.639 1.072 -0.041 1.00 0.00 H new