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= -3.27! C(o=-2.5!,f=-12!) USER MOD Set 1.2: A 132 CYS SG : rot -1:sc= 1.57 USER MOD Set 1.3: A 134 CYS SG : rot 180:sc= 0 USER MOD Set 1.4: A 135 CYS SG : rot -57:sc= 1.07 USER MOD Set 1.5: A 151 CYS SG : rot 50:sc= -1.89! USER MOD Set 2.1: A 115 CYS SG : rot 121:sc= -0.358 USER MOD Set 2.2: A 117 HIS : no HD1:sc= -0.69 K(o=-23,f=-24) USER MOD Set 2.3: A 118 CYS SG : rot -53:sc= -5.98! USER MOD Set 2.4: A 140 HIS : no HE2:sc= -14.5! C(o=-23!,f=-27!) USER MOD Set 2.5: A 143 CYS SG : rot -170:sc= -1.22 USER MOD Set 3.1: A 107 HIS : no HD1:sc= -2.96! C(o=-3.6!,f=-9.6!) USER MOD Set 3.2: A 109 TYR OH : rot 43:sc= -0.613 USER MOD Set 4.1: A 108 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 127 HIS : no HD1:sc= -0.386 X(o=-0.39,f=-0.2) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 15:sc= 0.442 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 87:sc= 0.148 USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= -7.54! C(o=-7.5!,f=-18!) USER MOD Single : A 130 MET CE :methyl -142:sc= -5.88! (180deg=-9.37!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot -64:sc= 1.02 USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 ASN : amide:sc= -0.695 X(o=-0.7,f=-0.95) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 149 SER OG : rot 26:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 132 N HIS A 102 -6.164 2.937 -2.832 1.00 0.00 N ATOM 133 CA HIS A 102 -5.192 2.462 -1.809 1.00 0.00 C ATOM 134 C HIS A 102 -4.848 3.602 -0.853 1.00 0.00 C ATOM 135 O HIS A 102 -4.582 4.714 -1.264 1.00 0.00 O ATOM 136 CB HIS A 102 -3.904 1.991 -2.484 1.00 0.00 C ATOM 137 CG HIS A 102 -4.155 0.721 -3.249 1.00 0.00 C ATOM 138 ND1 HIS A 102 -4.668 -0.421 -2.653 1.00 0.00 N ATOM 139 CD2 HIS A 102 -3.958 0.399 -4.568 1.00 0.00 C ATOM 140 CE1 HIS A 102 -4.761 -1.367 -3.604 1.00 0.00 C ATOM 141 NE2 HIS A 102 -4.341 -0.920 -4.791 1.00 0.00 N ATOM 0 HA HIS A 102 -5.645 1.636 -1.261 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -3.534 2.764 -3.158 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -3.131 1.826 -1.734 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -4.928 -0.525 -1.672 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -3.565 1.068 -5.319 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -5.130 -2.367 -3.430 1.00 0.00 H new ATOM 148 N LYS A 103 -4.829 3.327 0.419 1.00 0.00 N ATOM 149 CA LYS A 103 -4.477 4.382 1.407 1.00 0.00 C ATOM 150 C LYS A 103 -2.981 4.283 1.703 1.00 0.00 C ATOM 151 O LYS A 103 -2.560 4.301 2.842 1.00 0.00 O ATOM 152 CB LYS A 103 -5.271 4.165 2.698 1.00 0.00 C ATOM 153 CG LYS A 103 -6.470 5.115 2.726 1.00 0.00 C ATOM 154 CD LYS A 103 -6.164 6.296 3.650 1.00 0.00 C ATOM 155 CE LYS A 103 -7.313 7.304 3.587 1.00 0.00 C ATOM 156 NZ LYS A 103 -7.094 8.372 4.604 1.00 0.00 N ATOM 0 H LYS A 103 -5.043 2.413 0.819 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.718 5.367 1.006 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.611 3.131 2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.633 4.342 3.564 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.687 5.474 1.720 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.358 4.587 3.075 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.029 5.945 4.673 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.231 6.773 3.351 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.372 7.742 2.591 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -8.262 6.801 3.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.875 9.057 4.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.058 7.946 5.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.196 8.858 4.409 1.00 0.00 H new ATOM 170 N PHE A 104 -2.179 4.163 0.676 1.00 0.00 N ATOM 171 CA PHE A 104 -0.705 4.046 0.873 1.00 0.00 C ATOM 172 C PHE A 104 -0.253 4.983 1.996 1.00 0.00 C ATOM 173 O PHE A 104 -0.642 6.133 2.054 1.00 0.00 O ATOM 174 CB PHE A 104 0.009 4.424 -0.427 1.00 0.00 C ATOM 175 CG PHE A 104 -0.221 3.348 -1.463 1.00 0.00 C ATOM 176 CD1 PHE A 104 0.186 2.032 -1.210 1.00 0.00 C ATOM 177 CD2 PHE A 104 -0.839 3.668 -2.681 1.00 0.00 C ATOM 178 CE1 PHE A 104 -0.025 1.035 -2.172 1.00 0.00 C ATOM 179 CE2 PHE A 104 -1.050 2.671 -3.642 1.00 0.00 C ATOM 180 CZ PHE A 104 -0.642 1.354 -3.388 1.00 0.00 C ATOM 0 H PHE A 104 -2.485 4.141 -0.297 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.457 3.020 1.144 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.363 5.381 -0.793 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.077 4.546 -0.245 1.00 0.00 H new ATOM 0 HD1 PHE A 104 0.663 1.785 -0.273 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -1.152 4.683 -2.878 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.288 0.020 -1.976 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.527 2.917 -4.579 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.803 0.586 -4.130 1.00 0.00 H new ATOM 190 N ARG A 105 0.566 4.496 2.888 1.00 0.00 N ATOM 191 CA ARG A 105 1.044 5.353 4.009 1.00 0.00 C ATOM 192 C ARG A 105 2.525 5.073 4.262 1.00 0.00 C ATOM 193 O ARG A 105 2.881 4.141 4.955 1.00 0.00 O ATOM 194 CB ARG A 105 0.240 5.034 5.272 1.00 0.00 C ATOM 195 CG ARG A 105 -0.158 6.338 5.967 1.00 0.00 C ATOM 196 CD ARG A 105 -1.590 6.220 6.493 1.00 0.00 C ATOM 197 NE ARG A 105 -2.376 7.409 6.061 1.00 0.00 N ATOM 198 CZ ARG A 105 -2.730 7.538 4.811 1.00 0.00 C ATOM 199 NH1 ARG A 105 -3.113 6.492 4.130 1.00 0.00 N ATOM 200 NH2 ARG A 105 -2.699 8.712 4.242 1.00 0.00 N ATOM 0 H ARG A 105 0.925 3.541 2.889 1.00 0.00 H new ATOM 0 HA ARG A 105 0.910 6.403 3.750 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -0.650 4.461 5.014 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.833 4.416 5.947 1.00 0.00 H new ATOM 0 HG2 ARG A 105 0.526 6.548 6.789 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.083 7.172 5.269 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -2.053 5.308 6.117 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.585 6.149 7.581 1.00 0.00 H new ATOM 0 HE ARG A 105 -2.638 8.122 6.742 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -3.136 5.574 4.575 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -3.390 6.593 3.153 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.398 9.529 4.774 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.976 8.813 3.265 1.00 0.00 H new ATOM 214 N LEU A 106 3.393 5.873 3.705 1.00 0.00 N ATOM 215 CA LEU A 106 4.849 5.651 3.914 1.00 0.00 C ATOM 216 C LEU A 106 5.128 5.494 5.410 1.00 0.00 C ATOM 217 O LEU A 106 4.672 6.274 6.223 1.00 0.00 O ATOM 218 CB LEU A 106 5.628 6.849 3.369 1.00 0.00 C ATOM 219 CG LEU A 106 5.445 8.045 4.301 1.00 0.00 C ATOM 220 CD1 LEU A 106 6.219 9.246 3.756 1.00 0.00 C ATOM 221 CD2 LEU A 106 3.959 8.395 4.394 1.00 0.00 C ATOM 0 H LEU A 106 3.155 6.670 3.115 1.00 0.00 H new ATOM 0 HA LEU A 106 5.161 4.748 3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.686 6.600 3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.278 7.098 2.367 1.00 0.00 H new ATOM 0 HG LEU A 106 5.823 7.792 5.292 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.086 10.098 4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.278 8.997 3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.845 9.500 2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.827 9.249 5.059 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.581 8.646 3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.408 7.541 4.787 1.00 0.00 H new ATOM 233 N HIS A 107 5.874 4.492 5.778 1.00 0.00 N ATOM 234 CA HIS A 107 6.184 4.283 7.220 1.00 0.00 C ATOM 235 C HIS A 107 7.689 4.440 7.443 1.00 0.00 C ATOM 236 O HIS A 107 8.437 4.714 6.525 1.00 0.00 O ATOM 237 CB HIS A 107 5.744 2.877 7.636 1.00 0.00 C ATOM 238 CG HIS A 107 5.076 2.935 8.983 1.00 0.00 C ATOM 239 ND1 HIS A 107 4.116 2.013 9.373 1.00 0.00 N ATOM 240 CD2 HIS A 107 5.219 3.796 10.044 1.00 0.00 C ATOM 241 CE1 HIS A 107 3.722 2.337 10.618 1.00 0.00 C ATOM 242 NE2 HIS A 107 4.364 3.416 11.075 1.00 0.00 N ATOM 0 H HIS A 107 6.283 3.807 5.142 1.00 0.00 H new ATOM 0 HA HIS A 107 5.651 5.020 7.821 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.058 2.466 6.896 1.00 0.00 H new ATOM 0 HB3 HIS A 107 6.607 2.212 7.675 1.00 0.00 H new ATOM 0 HD2 HIS A 107 5.893 4.640 10.074 1.00 0.00 H new ATOM 0 HE1 HIS A 107 2.978 1.792 11.179 1.00 0.00 H new ATOM 0 HE2 HIS A 107 4.252 3.865 11.984 1.00 0.00 H new ATOM 250 N SER A 108 8.139 4.276 8.656 1.00 0.00 N ATOM 251 CA SER A 108 9.596 4.423 8.933 1.00 0.00 C ATOM 252 C SER A 108 10.093 3.211 9.724 1.00 0.00 C ATOM 253 O SER A 108 10.782 3.345 10.716 1.00 0.00 O ATOM 254 CB SER A 108 9.831 5.695 9.749 1.00 0.00 C ATOM 255 OG SER A 108 8.961 6.718 9.282 1.00 0.00 O ATOM 0 H SER A 108 7.563 4.047 9.466 1.00 0.00 H new ATOM 0 HA SER A 108 10.140 4.487 7.991 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.650 5.502 10.806 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.869 6.014 9.657 1.00 0.00 H new ATOM 0 HG SER A 108 9.107 7.535 9.803 1.00 0.00 H new ATOM 261 N TYR A 109 9.752 2.026 9.293 1.00 0.00 N ATOM 262 CA TYR A 109 10.211 0.811 10.021 1.00 0.00 C ATOM 263 C TYR A 109 11.736 0.838 10.140 1.00 0.00 C ATOM 264 O TYR A 109 12.416 1.474 9.359 1.00 0.00 O ATOM 265 CB TYR A 109 9.793 -0.443 9.248 1.00 0.00 C ATOM 266 CG TYR A 109 8.394 -0.272 8.707 1.00 0.00 C ATOM 267 CD1 TYR A 109 7.298 -0.277 9.580 1.00 0.00 C ATOM 268 CD2 TYR A 109 8.191 -0.115 7.329 1.00 0.00 C ATOM 269 CE1 TYR A 109 6.000 -0.126 9.075 1.00 0.00 C ATOM 270 CE2 TYR A 109 6.892 0.037 6.824 1.00 0.00 C ATOM 271 CZ TYR A 109 5.797 0.031 7.698 1.00 0.00 C ATOM 272 OH TYR A 109 4.519 0.178 7.199 1.00 0.00 O ATOM 0 H TYR A 109 9.177 1.848 8.470 1.00 0.00 H new ATOM 0 HA TYR A 109 9.761 0.795 11.014 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.489 -0.625 8.429 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.835 -1.314 9.901 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.454 -0.397 10.642 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.036 -0.111 6.656 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.155 -0.131 9.748 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.736 0.159 5.762 1.00 0.00 H new ATOM 0 HH TYR A 109 4.011 0.787 7.775 1.00 0.00 H new ATOM 282 N SER A 110 12.281 0.151 11.106 1.00 0.00 N ATOM 283 CA SER A 110 13.762 0.138 11.260 1.00 0.00 C ATOM 284 C SER A 110 14.399 -0.154 9.901 1.00 0.00 C ATOM 285 O SER A 110 15.528 0.213 9.638 1.00 0.00 O ATOM 286 CB SER A 110 14.164 -0.950 12.256 1.00 0.00 C ATOM 287 OG SER A 110 15.329 -0.536 12.958 1.00 0.00 O ATOM 0 H SER A 110 11.766 -0.400 11.793 1.00 0.00 H new ATOM 0 HA SER A 110 14.103 1.105 11.629 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.350 -1.137 12.957 1.00 0.00 H new ATOM 0 HB3 SER A 110 14.355 -1.887 11.732 1.00 0.00 H new ATOM 0 HG SER A 110 15.589 -1.230 13.599 1.00 0.00 H new ATOM 293 N SER A 111 13.679 -0.811 9.035 1.00 0.00 N ATOM 294 CA SER A 111 14.227 -1.131 7.687 1.00 0.00 C ATOM 295 C SER A 111 13.071 -1.223 6.686 1.00 0.00 C ATOM 296 O SER A 111 11.928 -1.352 7.078 1.00 0.00 O ATOM 297 CB SER A 111 14.964 -2.470 7.744 1.00 0.00 C ATOM 298 OG SER A 111 16.267 -2.266 8.274 1.00 0.00 O ATOM 0 H SER A 111 12.729 -1.142 9.204 1.00 0.00 H new ATOM 0 HA SER A 111 14.921 -0.350 7.374 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.412 -3.176 8.365 1.00 0.00 H new ATOM 0 HB3 SER A 111 15.028 -2.906 6.747 1.00 0.00 H new ATOM 0 HG SER A 111 16.314 -1.382 8.695 1.00 0.00 H new ATOM 304 N PRO A 112 13.403 -1.153 5.424 1.00 0.00 N ATOM 305 CA PRO A 112 12.407 -1.225 4.341 1.00 0.00 C ATOM 306 C PRO A 112 11.935 -2.666 4.131 1.00 0.00 C ATOM 307 O PRO A 112 12.709 -3.601 4.183 1.00 0.00 O ATOM 308 CB PRO A 112 13.165 -0.699 3.118 1.00 0.00 C ATOM 309 CG PRO A 112 14.671 -0.877 3.425 1.00 0.00 C ATOM 310 CD PRO A 112 14.796 -1.002 4.956 1.00 0.00 C ATOM 0 HA PRO A 112 11.505 -0.651 4.551 1.00 0.00 H new ATOM 0 HB2 PRO A 112 12.884 -1.250 2.221 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.927 0.349 2.935 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.065 -1.765 2.930 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.245 -0.026 3.058 1.00 0.00 H new ATOM 0 HD2 PRO A 112 15.405 -1.861 5.237 1.00 0.00 H new ATOM 0 HD3 PRO A 112 15.268 -0.121 5.390 1.00 0.00 H new ATOM 318 N THR A 113 10.664 -2.844 3.893 1.00 0.00 N ATOM 319 CA THR A 113 10.124 -4.216 3.680 1.00 0.00 C ATOM 320 C THR A 113 10.208 -4.564 2.198 1.00 0.00 C ATOM 321 O THR A 113 10.666 -3.781 1.393 1.00 0.00 O ATOM 322 CB THR A 113 8.663 -4.264 4.134 1.00 0.00 C ATOM 323 OG1 THR A 113 8.466 -3.330 5.186 1.00 0.00 O ATOM 324 CG2 THR A 113 8.324 -5.670 4.628 1.00 0.00 C ATOM 0 H THR A 113 9.974 -2.095 3.837 1.00 0.00 H new ATOM 0 HA THR A 113 10.707 -4.934 4.258 1.00 0.00 H new ATOM 0 HB THR A 113 8.014 -4.011 3.296 1.00 0.00 H new ATOM 0 HG1 THR A 113 7.531 -3.358 5.477 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.283 -5.701 4.951 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.475 -6.386 3.820 1.00 0.00 H new ATOM 0 HG23 THR A 113 8.972 -5.927 5.466 1.00 0.00 H new ATOM 332 N PHE A 114 9.777 -5.734 1.833 1.00 0.00 N ATOM 333 CA PHE A 114 9.842 -6.135 0.399 1.00 0.00 C ATOM 334 C PHE A 114 8.691 -5.485 -0.371 1.00 0.00 C ATOM 335 O PHE A 114 7.770 -4.943 0.208 1.00 0.00 O ATOM 336 CB PHE A 114 9.731 -7.657 0.290 1.00 0.00 C ATOM 337 CG PHE A 114 11.058 -8.290 0.633 1.00 0.00 C ATOM 338 CD1 PHE A 114 11.426 -8.466 1.974 1.00 0.00 C ATOM 339 CD2 PHE A 114 11.921 -8.705 -0.390 1.00 0.00 C ATOM 340 CE1 PHE A 114 12.656 -9.056 2.290 1.00 0.00 C ATOM 341 CE2 PHE A 114 13.152 -9.295 -0.073 1.00 0.00 C ATOM 342 CZ PHE A 114 13.519 -9.471 1.268 1.00 0.00 C ATOM 0 H PHE A 114 9.382 -6.432 2.463 1.00 0.00 H new ATOM 0 HA PHE A 114 10.791 -5.806 -0.024 1.00 0.00 H new ATOM 0 HB2 PHE A 114 8.957 -8.024 0.964 1.00 0.00 H new ATOM 0 HB3 PHE A 114 9.433 -7.938 -0.720 1.00 0.00 H new ATOM 0 HD1 PHE A 114 10.761 -8.147 2.763 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.637 -8.570 -1.423 1.00 0.00 H new ATOM 0 HE1 PHE A 114 12.940 -9.191 3.323 1.00 0.00 H new ATOM 0 HE2 PHE A 114 13.817 -9.614 -0.862 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.467 -9.927 1.513 1.00 0.00 H new ATOM 352 N CYS A 115 8.743 -5.531 -1.673 1.00 0.00 N ATOM 353 CA CYS A 115 7.660 -4.913 -2.490 1.00 0.00 C ATOM 354 C CYS A 115 6.815 -6.013 -3.138 1.00 0.00 C ATOM 355 O CYS A 115 7.314 -7.052 -3.522 1.00 0.00 O ATOM 356 CB CYS A 115 8.296 -4.034 -3.567 1.00 0.00 C ATOM 357 SG CYS A 115 7.016 -3.326 -4.628 1.00 0.00 S ATOM 0 H CYS A 115 9.491 -5.971 -2.209 1.00 0.00 H new ATOM 0 HA CYS A 115 7.015 -4.304 -1.857 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.875 -3.237 -3.101 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.990 -4.624 -4.166 1.00 0.00 H new ATOM 0 HG CYS A 115 7.082 -2.029 -4.581 1.00 0.00 H new ATOM 362 N ASP A 116 5.533 -5.795 -3.247 1.00 0.00 N ATOM 363 CA ASP A 116 4.642 -6.833 -3.851 1.00 0.00 C ATOM 364 C ASP A 116 4.455 -6.566 -5.348 1.00 0.00 C ATOM 365 O ASP A 116 4.063 -7.438 -6.097 1.00 0.00 O ATOM 366 CB ASP A 116 3.279 -6.796 -3.157 1.00 0.00 C ATOM 367 CG ASP A 116 2.794 -5.349 -3.059 1.00 0.00 C ATOM 368 OD1 ASP A 116 3.140 -4.568 -3.931 1.00 0.00 O ATOM 369 OD2 ASP A 116 2.084 -5.046 -2.116 1.00 0.00 O ATOM 0 H ASP A 116 5.061 -4.943 -2.944 1.00 0.00 H new ATOM 0 HA ASP A 116 5.100 -7.813 -3.720 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.559 -7.395 -3.715 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.354 -7.233 -2.161 1.00 0.00 H new ATOM 374 N HIS A 117 4.724 -5.371 -5.789 1.00 0.00 N ATOM 375 CA HIS A 117 4.552 -5.055 -7.235 1.00 0.00 C ATOM 376 C HIS A 117 5.844 -5.373 -7.991 1.00 0.00 C ATOM 377 O HIS A 117 5.828 -5.632 -9.178 1.00 0.00 O ATOM 378 CB HIS A 117 4.220 -3.570 -7.396 1.00 0.00 C ATOM 379 CG HIS A 117 4.047 -3.251 -8.856 1.00 0.00 C ATOM 380 ND1 HIS A 117 2.831 -3.395 -9.505 1.00 0.00 N ATOM 381 CD2 HIS A 117 4.927 -2.794 -9.806 1.00 0.00 C ATOM 382 CE1 HIS A 117 3.010 -3.031 -10.788 1.00 0.00 C ATOM 383 NE2 HIS A 117 4.269 -2.655 -11.025 1.00 0.00 N ATOM 0 H HIS A 117 5.056 -4.598 -5.212 1.00 0.00 H new ATOM 0 HA HIS A 117 3.739 -5.657 -7.641 1.00 0.00 H new ATOM 0 HB2 HIS A 117 3.308 -3.329 -6.849 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.017 -2.960 -6.971 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.971 -2.576 -9.634 1.00 0.00 H new ATOM 0 HE1 HIS A 117 2.230 -3.042 -11.535 1.00 0.00 H new ATOM 0 HE2 HIS A 117 4.664 -2.335 -11.909 1.00 0.00 H new ATOM 391 N CYS A 118 6.966 -5.364 -7.321 1.00 0.00 N ATOM 392 CA CYS A 118 8.244 -5.673 -8.022 1.00 0.00 C ATOM 393 C CYS A 118 9.005 -6.757 -7.254 1.00 0.00 C ATOM 394 O CYS A 118 10.058 -7.198 -7.669 1.00 0.00 O ATOM 395 CB CYS A 118 9.099 -4.407 -8.120 1.00 0.00 C ATOM 396 SG CYS A 118 9.444 -3.776 -6.460 1.00 0.00 S ATOM 0 H CYS A 118 7.052 -5.157 -6.326 1.00 0.00 H new ATOM 0 HA CYS A 118 8.025 -6.034 -9.027 1.00 0.00 H new ATOM 0 HB2 CYS A 118 10.033 -4.626 -8.638 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.579 -3.650 -8.707 1.00 0.00 H new ATOM 0 HG CYS A 118 8.328 -3.637 -5.808 1.00 0.00 H new ATOM 401 N GLY A 119 8.480 -7.196 -6.141 1.00 0.00 N ATOM 402 CA GLY A 119 9.175 -8.257 -5.357 1.00 0.00 C ATOM 403 C GLY A 119 10.626 -7.847 -5.103 1.00 0.00 C ATOM 404 O GLY A 119 11.549 -8.586 -5.386 1.00 0.00 O ATOM 0 H GLY A 119 7.601 -6.866 -5.742 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.661 -8.417 -4.409 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.144 -9.202 -5.899 1.00 0.00 H new ATOM 408 N SER A 120 10.837 -6.677 -4.569 1.00 0.00 N ATOM 409 CA SER A 120 12.229 -6.222 -4.295 1.00 0.00 C ATOM 410 C SER A 120 12.252 -5.413 -2.997 1.00 0.00 C ATOM 411 O SER A 120 11.327 -4.686 -2.692 1.00 0.00 O ATOM 412 CB SER A 120 12.716 -5.348 -5.451 1.00 0.00 C ATOM 413 OG SER A 120 12.442 -6.003 -6.682 1.00 0.00 O ATOM 0 H SER A 120 10.105 -6.015 -4.310 1.00 0.00 H new ATOM 0 HA SER A 120 12.883 -7.088 -4.195 1.00 0.00 H new ATOM 0 HB2 SER A 120 12.219 -4.378 -5.423 1.00 0.00 H new ATOM 0 HB3 SER A 120 13.786 -5.161 -5.355 1.00 0.00 H new ATOM 0 HG SER A 120 11.534 -5.780 -6.976 1.00 0.00 H new ATOM 419 N LEU A 121 13.301 -5.532 -2.228 1.00 0.00 N ATOM 420 CA LEU A 121 13.375 -4.766 -0.951 1.00 0.00 C ATOM 421 C LEU A 121 13.438 -3.269 -1.235 1.00 0.00 C ATOM 422 O LEU A 121 14.227 -2.806 -2.035 1.00 0.00 O ATOM 423 CB LEU A 121 14.619 -5.176 -0.165 1.00 0.00 C ATOM 424 CG LEU A 121 14.263 -6.303 0.803 1.00 0.00 C ATOM 425 CD1 LEU A 121 15.544 -6.994 1.270 1.00 0.00 C ATOM 426 CD2 LEU A 121 13.530 -5.712 2.012 1.00 0.00 C ATOM 0 H LEU A 121 14.107 -6.124 -2.428 1.00 0.00 H new ATOM 0 HA LEU A 121 12.482 -4.987 -0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.402 -5.504 -0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 121 15.013 -4.321 0.385 1.00 0.00 H new ATOM 0 HG LEU A 121 13.622 -7.030 0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 121 15.292 -7.799 1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 121 16.070 -7.406 0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 121 16.185 -6.270 1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 121 13.273 -6.511 2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 121 14.176 -4.990 2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 121 12.620 -5.214 1.678 1.00 0.00 H new ATOM 438 N LEU A 122 12.619 -2.511 -0.568 1.00 0.00 N ATOM 439 CA LEU A 122 12.631 -1.038 -0.769 1.00 0.00 C ATOM 440 C LEU A 122 13.961 -0.487 -0.253 1.00 0.00 C ATOM 441 O LEU A 122 14.928 -1.213 -0.123 1.00 0.00 O ATOM 442 CB LEU A 122 11.472 -0.412 0.010 1.00 0.00 C ATOM 443 CG LEU A 122 10.179 -1.161 -0.316 1.00 0.00 C ATOM 444 CD1 LEU A 122 9.243 -1.123 0.893 1.00 0.00 C ATOM 445 CD2 LEU A 122 9.491 -0.495 -1.510 1.00 0.00 C ATOM 0 H LEU A 122 11.938 -2.849 0.112 1.00 0.00 H new ATOM 0 HA LEU A 122 12.519 -0.799 -1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 122 11.672 -0.458 1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 122 11.371 0.642 -0.251 1.00 0.00 H new ATOM 0 HG LEU A 122 10.415 -2.197 -0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.323 -1.657 0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 122 9.730 -1.597 1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 122 9.008 -0.087 1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.569 -1.028 -1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 122 9.258 0.541 -1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 122 10.155 -0.523 -2.374 1.00 0.00 H new ATOM 457 N TYR A 123 14.027 0.779 0.048 1.00 0.00 N ATOM 458 CA TYR A 123 15.306 1.349 0.556 1.00 0.00 C ATOM 459 C TYR A 123 15.028 2.645 1.319 1.00 0.00 C ATOM 460 O TYR A 123 13.931 3.168 1.297 1.00 0.00 O ATOM 461 CB TYR A 123 16.237 1.640 -0.623 1.00 0.00 C ATOM 462 CG TYR A 123 16.548 0.353 -1.350 1.00 0.00 C ATOM 463 CD1 TYR A 123 17.494 -0.538 -0.825 1.00 0.00 C ATOM 464 CD2 TYR A 123 15.889 0.048 -2.548 1.00 0.00 C ATOM 465 CE1 TYR A 123 17.782 -1.732 -1.499 1.00 0.00 C ATOM 466 CE2 TYR A 123 16.176 -1.147 -3.222 1.00 0.00 C ATOM 467 CZ TYR A 123 17.123 -2.036 -2.698 1.00 0.00 C ATOM 468 OH TYR A 123 17.406 -3.212 -3.362 1.00 0.00 O ATOM 0 H TYR A 123 13.256 1.441 -0.035 1.00 0.00 H new ATOM 0 HA TYR A 123 15.779 0.632 1.227 1.00 0.00 H new ATOM 0 HB2 TYR A 123 15.768 2.350 -1.304 1.00 0.00 H new ATOM 0 HB3 TYR A 123 17.159 2.101 -0.267 1.00 0.00 H new ATOM 0 HD1 TYR A 123 18.001 -0.304 0.099 1.00 0.00 H new ATOM 0 HD2 TYR A 123 15.159 0.734 -2.952 1.00 0.00 H new ATOM 0 HE1 TYR A 123 18.512 -2.418 -1.095 1.00 0.00 H new ATOM 0 HE2 TYR A 123 15.667 -1.382 -4.145 1.00 0.00 H new ATOM 0 HH TYR A 123 16.861 -3.268 -4.175 1.00 0.00 H new ATOM 478 N GLY A 124 16.015 3.166 1.995 1.00 0.00 N ATOM 479 CA GLY A 124 15.811 4.427 2.761 1.00 0.00 C ATOM 480 C GLY A 124 15.474 5.560 1.791 1.00 0.00 C ATOM 481 O GLY A 124 14.968 6.594 2.179 1.00 0.00 O ATOM 0 H GLY A 124 16.954 2.772 2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 124 15.005 4.300 3.484 1.00 0.00 H new ATOM 0 HA3 GLY A 124 16.710 4.672 3.326 1.00 0.00 H new ATOM 485 N LEU A 125 15.751 5.373 0.529 1.00 0.00 N ATOM 486 CA LEU A 125 15.444 6.439 -0.465 1.00 0.00 C ATOM 487 C LEU A 125 13.949 6.758 -0.418 1.00 0.00 C ATOM 488 O LEU A 125 13.527 7.852 -0.737 1.00 0.00 O ATOM 489 CB LEU A 125 15.816 5.953 -1.868 1.00 0.00 C ATOM 490 CG LEU A 125 17.290 6.260 -2.141 1.00 0.00 C ATOM 491 CD1 LEU A 125 17.697 5.653 -3.485 1.00 0.00 C ATOM 492 CD2 LEU A 125 17.492 7.777 -2.189 1.00 0.00 C ATOM 0 H LEU A 125 16.176 4.529 0.144 1.00 0.00 H new ATOM 0 HA LEU A 125 16.018 7.335 -0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 125 15.635 4.881 -1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 125 15.188 6.442 -2.612 1.00 0.00 H new ATOM 0 HG LEU A 125 17.903 5.833 -1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 125 18.747 5.871 -3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 125 17.550 4.573 -3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 125 17.084 6.081 -4.278 1.00 0.00 H new ATOM 0 HD21 LEU A 125 18.541 7.998 -2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 125 16.878 8.201 -2.984 1.00 0.00 H new ATOM 0 HD23 LEU A 125 17.200 8.213 -1.234 1.00 0.00 H new ATOM 504 N VAL A 126 13.143 5.812 -0.016 1.00 0.00 N ATOM 505 CA VAL A 126 11.676 6.065 0.054 1.00 0.00 C ATOM 506 C VAL A 126 11.185 5.797 1.476 1.00 0.00 C ATOM 507 O VAL A 126 10.090 5.314 1.685 1.00 0.00 O ATOM 508 CB VAL A 126 10.949 5.138 -0.922 1.00 0.00 C ATOM 509 CG1 VAL A 126 11.084 5.686 -2.344 1.00 0.00 C ATOM 510 CG2 VAL A 126 11.570 3.740 -0.855 1.00 0.00 C ATOM 0 H VAL A 126 13.437 4.877 0.266 1.00 0.00 H new ATOM 0 HA VAL A 126 11.471 7.102 -0.214 1.00 0.00 H new ATOM 0 HB VAL A 126 9.894 5.082 -0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 126 10.566 5.025 -3.039 1.00 0.00 H new ATOM 0 HG12 VAL A 126 10.644 6.682 -2.393 1.00 0.00 H new ATOM 0 HG13 VAL A 126 12.139 5.742 -2.614 1.00 0.00 H new ATOM 0 HG21 VAL A 126 11.053 3.078 -1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 126 12.625 3.797 -1.125 1.00 0.00 H new ATOM 0 HG23 VAL A 126 11.475 3.348 0.158 1.00 0.00 H new ATOM 520 N HIS A 127 11.989 6.107 2.458 1.00 0.00 N ATOM 521 CA HIS A 127 11.573 5.870 3.868 1.00 0.00 C ATOM 522 C HIS A 127 10.911 4.497 3.976 1.00 0.00 C ATOM 523 O HIS A 127 9.704 4.382 4.054 1.00 0.00 O ATOM 524 CB HIS A 127 10.581 6.952 4.299 1.00 0.00 C ATOM 525 CG HIS A 127 11.070 7.602 5.563 1.00 0.00 C ATOM 526 ND1 HIS A 127 10.207 7.991 6.575 1.00 0.00 N ATOM 527 CD2 HIS A 127 12.330 7.937 5.995 1.00 0.00 C ATOM 528 CE1 HIS A 127 10.952 8.532 7.557 1.00 0.00 C ATOM 529 NE2 HIS A 127 12.253 8.524 7.254 1.00 0.00 N ATOM 0 H HIS A 127 12.917 6.515 2.343 1.00 0.00 H new ATOM 0 HA HIS A 127 12.448 5.905 4.517 1.00 0.00 H new ATOM 0 HB2 HIS A 127 10.474 7.698 3.511 1.00 0.00 H new ATOM 0 HB3 HIS A 127 9.596 6.515 4.460 1.00 0.00 H new ATOM 0 HD2 HIS A 127 13.242 7.770 5.441 1.00 0.00 H new ATOM 0 HE1 HIS A 127 10.547 8.925 8.478 1.00 0.00 H new ATOM 0 HE2 HIS A 127 13.024 8.873 7.823 1.00 0.00 H new ATOM 537 N GLN A 128 11.690 3.450 3.978 1.00 0.00 N ATOM 538 CA GLN A 128 11.103 2.086 4.076 1.00 0.00 C ATOM 539 C GLN A 128 10.253 1.810 2.835 1.00 0.00 C ATOM 540 O GLN A 128 10.742 1.332 1.831 1.00 0.00 O ATOM 541 CB GLN A 128 10.227 1.997 5.327 1.00 0.00 C ATOM 542 CG GLN A 128 11.028 1.362 6.465 1.00 0.00 C ATOM 543 CD GLN A 128 12.093 2.346 6.950 1.00 0.00 C ATOM 544 OE1 GLN A 128 11.814 3.211 7.756 1.00 0.00 O ATOM 545 NE2 GLN A 128 13.310 2.251 6.490 1.00 0.00 N ATOM 0 H GLN A 128 12.708 3.481 3.916 1.00 0.00 H new ATOM 0 HA GLN A 128 11.902 1.348 4.141 1.00 0.00 H new ATOM 0 HB2 GLN A 128 9.887 2.991 5.618 1.00 0.00 H new ATOM 0 HB3 GLN A 128 9.337 1.404 5.119 1.00 0.00 H new ATOM 0 HG2 GLN A 128 10.363 1.095 7.287 1.00 0.00 H new ATOM 0 HG3 GLN A 128 11.498 0.440 6.123 1.00 0.00 H new ATOM 0 HE21 GLN A 128 13.544 1.525 5.813 1.00 0.00 H new ATOM 0 HE22 GLN A 128 14.027 2.903 6.807 1.00 0.00 H new ATOM 554 N GLY A 129 8.983 2.107 2.893 1.00 0.00 N ATOM 555 CA GLY A 129 8.108 1.861 1.713 1.00 0.00 C ATOM 556 C GLY A 129 6.695 2.370 2.002 1.00 0.00 C ATOM 557 O GLY A 129 6.401 2.831 3.087 1.00 0.00 O ATOM 0 H GLY A 129 8.515 2.509 3.705 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.514 2.365 0.836 1.00 0.00 H new ATOM 0 HA3 GLY A 129 8.081 0.796 1.484 1.00 0.00 H new ATOM 561 N MET A 130 5.820 2.290 1.038 1.00 0.00 N ATOM 562 CA MET A 130 4.426 2.769 1.255 1.00 0.00 C ATOM 563 C MET A 130 3.552 1.602 1.715 1.00 0.00 C ATOM 564 O MET A 130 3.441 0.594 1.045 1.00 0.00 O ATOM 565 CB MET A 130 3.872 3.332 -0.054 1.00 0.00 C ATOM 566 CG MET A 130 4.829 4.393 -0.600 1.00 0.00 C ATOM 567 SD MET A 130 3.944 5.959 -0.797 1.00 0.00 S ATOM 568 CE MET A 130 5.295 7.050 -0.291 1.00 0.00 C ATOM 0 H MET A 130 6.010 1.914 0.109 1.00 0.00 H new ATOM 0 HA MET A 130 4.424 3.548 2.017 1.00 0.00 H new ATOM 0 HB2 MET A 130 3.747 2.531 -0.782 1.00 0.00 H new ATOM 0 HB3 MET A 130 2.887 3.767 0.113 1.00 0.00 H new ATOM 0 HG2 MET A 130 5.672 4.522 0.079 1.00 0.00 H new ATOM 0 HG3 MET A 130 5.238 4.071 -1.558 1.00 0.00 H new ATOM 0 HE1 MET A 130 4.894 7.878 0.294 1.00 0.00 H new ATOM 0 HE2 MET A 130 6.008 6.490 0.314 1.00 0.00 H new ATOM 0 HE3 MET A 130 5.798 7.440 -1.176 1.00 0.00 H new ATOM 578 N LYS A 131 2.927 1.730 2.854 1.00 0.00 N ATOM 579 CA LYS A 131 2.061 0.627 3.356 1.00 0.00 C ATOM 580 C LYS A 131 0.593 1.046 3.262 1.00 0.00 C ATOM 581 O LYS A 131 0.149 1.949 3.943 1.00 0.00 O ATOM 582 CB LYS A 131 2.412 0.327 4.813 1.00 0.00 C ATOM 583 CG LYS A 131 1.327 -0.558 5.433 1.00 0.00 C ATOM 584 CD LYS A 131 1.976 -1.598 6.349 1.00 0.00 C ATOM 585 CE LYS A 131 1.107 -1.791 7.593 1.00 0.00 C ATOM 586 NZ LYS A 131 1.510 -3.045 8.289 1.00 0.00 N ATOM 0 H LYS A 131 2.979 2.550 3.458 1.00 0.00 H new ATOM 0 HA LYS A 131 2.223 -0.265 2.751 1.00 0.00 H new ATOM 0 HB2 LYS A 131 3.379 -0.173 4.869 1.00 0.00 H new ATOM 0 HB3 LYS A 131 2.501 1.257 5.375 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.625 0.053 6.000 1.00 0.00 H new ATOM 0 HG3 LYS A 131 0.756 -1.055 4.649 1.00 0.00 H new ATOM 0 HD2 LYS A 131 2.089 -2.544 5.820 1.00 0.00 H new ATOM 0 HD3 LYS A 131 2.976 -1.272 6.637 1.00 0.00 H new ATOM 0 HE2 LYS A 131 1.218 -0.939 8.263 1.00 0.00 H new ATOM 0 HE3 LYS A 131 0.055 -1.840 7.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 0.920 -3.177 9.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 1.383 -3.854 7.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 2.509 -2.980 8.570 1.00 0.00 H new ATOM 600 N CYS A 132 -0.166 0.392 2.428 1.00 0.00 N ATOM 601 CA CYS A 132 -1.605 0.750 2.293 1.00 0.00 C ATOM 602 C CYS A 132 -2.309 0.543 3.637 1.00 0.00 C ATOM 603 O CYS A 132 -2.510 -0.571 4.077 1.00 0.00 O ATOM 604 CB CYS A 132 -2.253 -0.139 1.233 1.00 0.00 C ATOM 605 SG CYS A 132 -4.030 0.192 1.179 1.00 0.00 S ATOM 0 H CYS A 132 0.148 -0.375 1.834 1.00 0.00 H new ATOM 0 HA CYS A 132 -1.695 1.794 1.994 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -1.806 0.054 0.258 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -2.074 -1.189 1.464 1.00 0.00 H new ATOM 0 HG CYS A 132 -4.332 1.089 2.070 1.00 0.00 H new ATOM 610 N SER A 133 -2.682 1.611 4.291 1.00 0.00 N ATOM 611 CA SER A 133 -3.371 1.479 5.607 1.00 0.00 C ATOM 612 C SER A 133 -4.872 1.279 5.383 1.00 0.00 C ATOM 613 O SER A 133 -5.695 1.926 6.001 1.00 0.00 O ATOM 614 CB SER A 133 -3.144 2.747 6.430 1.00 0.00 C ATOM 615 OG SER A 133 -4.080 2.788 7.500 1.00 0.00 O ATOM 0 H SER A 133 -2.539 2.569 3.970 1.00 0.00 H new ATOM 0 HA SER A 133 -2.967 0.620 6.142 1.00 0.00 H new ATOM 0 HB2 SER A 133 -2.127 2.763 6.821 1.00 0.00 H new ATOM 0 HB3 SER A 133 -3.257 3.629 5.799 1.00 0.00 H new ATOM 0 HG SER A 133 -4.988 2.858 7.138 1.00 0.00 H new ATOM 621 N CYS A 134 -5.233 0.386 4.504 1.00 0.00 N ATOM 622 CA CYS A 134 -6.678 0.138 4.238 1.00 0.00 C ATOM 623 C CYS A 134 -6.872 -1.322 3.818 1.00 0.00 C ATOM 624 O CYS A 134 -7.838 -1.961 4.182 1.00 0.00 O ATOM 625 CB CYS A 134 -7.157 1.060 3.113 1.00 0.00 C ATOM 626 SG CYS A 134 -8.847 0.614 2.645 1.00 0.00 S ATOM 0 H CYS A 134 -4.588 -0.184 3.957 1.00 0.00 H new ATOM 0 HA CYS A 134 -7.255 0.339 5.141 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -7.121 2.099 3.440 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -6.495 0.974 2.251 1.00 0.00 H new ATOM 0 HG CYS A 134 -9.254 1.398 1.691 1.00 0.00 H new ATOM 632 N CYS A 135 -5.957 -1.850 3.054 1.00 0.00 N ATOM 633 CA CYS A 135 -6.075 -3.265 2.607 1.00 0.00 C ATOM 634 C CYS A 135 -4.792 -4.021 2.969 1.00 0.00 C ATOM 635 O CYS A 135 -4.692 -5.216 2.775 1.00 0.00 O ATOM 636 CB CYS A 135 -6.280 -3.301 1.088 1.00 0.00 C ATOM 637 SG CYS A 135 -4.742 -2.831 0.252 1.00 0.00 S ATOM 0 H CYS A 135 -5.128 -1.359 2.718 1.00 0.00 H new ATOM 0 HA CYS A 135 -6.925 -3.736 3.100 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -6.584 -4.300 0.776 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -7.082 -2.620 0.804 1.00 0.00 H new ATOM 0 HG CYS A 135 -4.370 -1.653 0.658 1.00 0.00 H new ATOM 642 N GLU A 136 -3.808 -3.331 3.488 1.00 0.00 N ATOM 643 CA GLU A 136 -2.532 -4.007 3.855 1.00 0.00 C ATOM 644 C GLU A 136 -1.707 -4.248 2.590 1.00 0.00 C ATOM 645 O GLU A 136 -1.689 -5.334 2.045 1.00 0.00 O ATOM 646 CB GLU A 136 -2.834 -5.344 4.534 1.00 0.00 C ATOM 647 CG GLU A 136 -4.071 -5.198 5.424 1.00 0.00 C ATOM 648 CD GLU A 136 -3.786 -5.798 6.801 1.00 0.00 C ATOM 649 OE1 GLU A 136 -3.164 -6.846 6.852 1.00 0.00 O ATOM 650 OE2 GLU A 136 -4.193 -5.197 7.782 1.00 0.00 O ATOM 0 H GLU A 136 -3.836 -2.328 3.673 1.00 0.00 H new ATOM 0 HA GLU A 136 -1.970 -3.375 4.543 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -3.003 -6.115 3.783 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -1.979 -5.662 5.131 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -4.338 -4.146 5.523 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -4.922 -5.701 4.966 1.00 0.00 H new ATOM 657 N MET A 137 -1.025 -3.241 2.116 1.00 0.00 N ATOM 658 CA MET A 137 -0.205 -3.408 0.884 1.00 0.00 C ATOM 659 C MET A 137 1.187 -2.814 1.111 1.00 0.00 C ATOM 660 O MET A 137 1.406 -2.056 2.035 1.00 0.00 O ATOM 661 CB MET A 137 -0.886 -2.683 -0.280 1.00 0.00 C ATOM 662 CG MET A 137 -0.514 -3.362 -1.599 1.00 0.00 C ATOM 663 SD MET A 137 -1.207 -5.034 -1.635 1.00 0.00 S ATOM 664 CE MET A 137 -1.437 -5.145 -3.427 1.00 0.00 C ATOM 0 H MET A 137 -1.001 -2.309 2.530 1.00 0.00 H new ATOM 0 HA MET A 137 -0.112 -4.468 0.650 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.968 -2.696 -0.146 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.579 -1.637 -0.299 1.00 0.00 H new ATOM 0 HG2 MET A 137 -0.895 -2.781 -2.439 1.00 0.00 H new ATOM 0 HG3 MET A 137 0.570 -3.404 -1.706 1.00 0.00 H new ATOM 0 HE1 MET A 137 -1.863 -6.116 -3.680 1.00 0.00 H new ATOM 0 HE2 MET A 137 -2.112 -4.355 -3.757 1.00 0.00 H new ATOM 0 HE3 MET A 137 -0.474 -5.031 -3.925 1.00 0.00 H new ATOM 674 N ASN A 138 2.128 -3.150 0.274 1.00 0.00 N ATOM 675 CA ASN A 138 3.505 -2.603 0.437 1.00 0.00 C ATOM 676 C ASN A 138 4.158 -2.466 -0.940 1.00 0.00 C ATOM 677 O ASN A 138 4.542 -3.442 -1.555 1.00 0.00 O ATOM 678 CB ASN A 138 4.333 -3.554 1.303 1.00 0.00 C ATOM 679 CG ASN A 138 3.833 -3.494 2.747 1.00 0.00 C ATOM 680 OD1 ASN A 138 2.993 -4.278 3.144 1.00 0.00 O ATOM 681 ND2 ASN A 138 4.315 -2.591 3.557 1.00 0.00 N ATOM 0 H ASN A 138 2.003 -3.781 -0.518 1.00 0.00 H new ATOM 0 HA ASN A 138 3.457 -1.626 0.918 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.254 -4.572 0.922 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.387 -3.278 1.260 1.00 0.00 H new ATOM 0 HD21 ASN A 138 3.987 -2.544 4.522 1.00 0.00 H new ATOM 0 HD22 ASN A 138 5.020 -1.933 3.225 1.00 0.00 H new ATOM 688 N VAL A 139 4.286 -1.265 -1.433 1.00 0.00 N ATOM 689 CA VAL A 139 4.910 -1.073 -2.771 1.00 0.00 C ATOM 690 C VAL A 139 5.929 0.067 -2.706 1.00 0.00 C ATOM 691 O VAL A 139 6.054 0.747 -1.708 1.00 0.00 O ATOM 692 CB VAL A 139 3.825 -0.726 -3.793 1.00 0.00 C ATOM 693 CG1 VAL A 139 3.041 -1.989 -4.155 1.00 0.00 C ATOM 694 CG2 VAL A 139 2.871 0.309 -3.190 1.00 0.00 C ATOM 0 H VAL A 139 3.985 -0.409 -0.967 1.00 0.00 H new ATOM 0 HA VAL A 139 5.414 -1.992 -3.069 1.00 0.00 H new ATOM 0 HB VAL A 139 4.289 -0.317 -4.690 1.00 0.00 H new ATOM 0 HG11 VAL A 139 2.268 -1.741 -4.883 1.00 0.00 H new ATOM 0 HG12 VAL A 139 3.719 -2.728 -4.582 1.00 0.00 H new ATOM 0 HG13 VAL A 139 2.577 -2.399 -3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.097 0.558 -3.917 1.00 0.00 H new ATOM 0 HG22 VAL A 139 2.408 -0.102 -2.293 1.00 0.00 H new ATOM 0 HG23 VAL A 139 3.428 1.209 -2.931 1.00 0.00 H new ATOM 704 N HIS A 140 6.660 0.279 -3.768 1.00 0.00 N ATOM 705 CA HIS A 140 7.672 1.374 -3.774 1.00 0.00 C ATOM 706 C HIS A 140 6.966 2.719 -3.949 1.00 0.00 C ATOM 707 O HIS A 140 5.754 2.800 -3.959 1.00 0.00 O ATOM 708 CB HIS A 140 8.645 1.161 -4.935 1.00 0.00 C ATOM 709 CG HIS A 140 9.666 0.127 -4.551 1.00 0.00 C ATOM 710 ND1 HIS A 140 9.525 -1.210 -4.886 1.00 0.00 N ATOM 711 CD2 HIS A 140 10.847 0.217 -3.858 1.00 0.00 C ATOM 712 CE1 HIS A 140 10.594 -1.866 -4.397 1.00 0.00 C ATOM 713 NE2 HIS A 140 11.431 -1.042 -3.761 1.00 0.00 N ATOM 0 H HIS A 140 6.599 -0.260 -4.632 1.00 0.00 H new ATOM 0 HA HIS A 140 8.219 1.368 -2.831 1.00 0.00 H new ATOM 0 HB2 HIS A 140 8.102 0.839 -5.824 1.00 0.00 H new ATOM 0 HB3 HIS A 140 9.139 2.100 -5.186 1.00 0.00 H new ATOM 0 HD1 HIS A 140 8.752 -1.622 -5.408 1.00 0.00 H new ATOM 0 HD2 HIS A 140 11.261 1.127 -3.450 1.00 0.00 H new ATOM 0 HE1 HIS A 140 10.755 -2.928 -4.506 1.00 0.00 H new ATOM 720 N ARG A 141 7.716 3.777 -4.096 1.00 0.00 N ATOM 721 CA ARG A 141 7.088 5.116 -4.278 1.00 0.00 C ATOM 722 C ARG A 141 6.733 5.305 -5.754 1.00 0.00 C ATOM 723 O ARG A 141 5.742 5.921 -6.091 1.00 0.00 O ATOM 724 CB ARG A 141 8.071 6.205 -3.844 1.00 0.00 C ATOM 725 CG ARG A 141 7.340 7.248 -2.998 1.00 0.00 C ATOM 726 CD ARG A 141 8.076 8.587 -3.091 1.00 0.00 C ATOM 727 NE ARG A 141 7.167 9.614 -3.672 1.00 0.00 N ATOM 728 CZ ARG A 141 6.120 10.013 -3.001 1.00 0.00 C ATOM 729 NH1 ARG A 141 5.997 9.705 -1.739 1.00 0.00 N ATOM 730 NH2 ARG A 141 5.197 10.721 -3.593 1.00 0.00 N ATOM 0 H ARG A 141 8.736 3.772 -4.098 1.00 0.00 H new ATOM 0 HA ARG A 141 6.185 5.185 -3.671 1.00 0.00 H new ATOM 0 HB2 ARG A 141 8.887 5.765 -3.271 1.00 0.00 H new ATOM 0 HB3 ARG A 141 8.515 6.678 -4.720 1.00 0.00 H new ATOM 0 HG2 ARG A 141 6.313 7.360 -3.347 1.00 0.00 H new ATOM 0 HG3 ARG A 141 7.290 6.920 -1.960 1.00 0.00 H new ATOM 0 HD2 ARG A 141 8.410 8.900 -2.102 1.00 0.00 H new ATOM 0 HD3 ARG A 141 8.967 8.482 -3.710 1.00 0.00 H new ATOM 0 HE ARG A 141 7.362 10.005 -4.593 1.00 0.00 H new ATOM 0 HH11 ARG A 141 6.719 9.152 -1.276 1.00 0.00 H new ATOM 0 HH12 ARG A 141 5.179 10.017 -1.215 1.00 0.00 H new ATOM 0 HH21 ARG A 141 5.294 10.962 -4.579 1.00 0.00 H new ATOM 0 HH22 ARG A 141 4.379 11.033 -3.069 1.00 0.00 H new ATOM 744 N ARG A 142 7.534 4.775 -6.636 1.00 0.00 N ATOM 745 CA ARG A 142 7.242 4.917 -8.090 1.00 0.00 C ATOM 746 C ARG A 142 6.580 3.636 -8.601 1.00 0.00 C ATOM 747 O ARG A 142 6.385 3.456 -9.787 1.00 0.00 O ATOM 748 CB ARG A 142 8.547 5.156 -8.853 1.00 0.00 C ATOM 749 CG ARG A 142 9.552 4.057 -8.499 1.00 0.00 C ATOM 750 CD ARG A 142 10.365 3.691 -9.742 1.00 0.00 C ATOM 751 NE ARG A 142 11.814 3.674 -9.400 1.00 0.00 N ATOM 752 CZ ARG A 142 12.621 4.550 -9.933 1.00 0.00 C ATOM 753 NH1 ARG A 142 12.170 5.724 -10.284 1.00 0.00 N ATOM 754 NH2 ARG A 142 13.878 4.253 -10.116 1.00 0.00 N ATOM 0 H ARG A 142 8.379 4.249 -6.413 1.00 0.00 H new ATOM 0 HA ARG A 142 6.572 5.762 -8.246 1.00 0.00 H new ATOM 0 HB2 ARG A 142 8.358 5.159 -9.926 1.00 0.00 H new ATOM 0 HB3 ARG A 142 8.956 6.134 -8.598 1.00 0.00 H new ATOM 0 HG2 ARG A 142 10.216 4.398 -7.705 1.00 0.00 H new ATOM 0 HG3 ARG A 142 9.029 3.178 -8.122 1.00 0.00 H new ATOM 0 HD2 ARG A 142 10.057 2.715 -10.116 1.00 0.00 H new ATOM 0 HD3 ARG A 142 10.177 4.411 -10.538 1.00 0.00 H new ATOM 0 HE ARG A 142 12.176 2.977 -8.749 1.00 0.00 H new ATOM 0 HH11 ARG A 142 11.187 5.956 -10.142 1.00 0.00 H new ATOM 0 HH12 ARG A 142 12.801 6.409 -10.701 1.00 0.00 H new ATOM 0 HH21 ARG A 142 14.230 3.336 -9.842 1.00 0.00 H new ATOM 0 HH22 ARG A 142 14.508 4.938 -10.533 1.00 0.00 H new ATOM 768 N CYS A 143 6.230 2.742 -7.714 1.00 0.00 N ATOM 769 CA CYS A 143 5.581 1.474 -8.149 1.00 0.00 C ATOM 770 C CYS A 143 4.064 1.669 -8.184 1.00 0.00 C ATOM 771 O CYS A 143 3.350 0.940 -8.843 1.00 0.00 O ATOM 772 CB CYS A 143 5.929 0.357 -7.163 1.00 0.00 C ATOM 773 SG CYS A 143 7.306 -0.620 -7.815 1.00 0.00 S ATOM 0 H CYS A 143 6.366 2.837 -6.708 1.00 0.00 H new ATOM 0 HA CYS A 143 5.938 1.203 -9.143 1.00 0.00 H new ATOM 0 HB2 CYS A 143 6.197 0.782 -6.196 1.00 0.00 H new ATOM 0 HB3 CYS A 143 5.061 -0.282 -7.001 1.00 0.00 H new ATOM 0 HG CYS A 143 7.464 -1.686 -7.088 1.00 0.00 H new ATOM 778 N VAL A 144 3.567 2.651 -7.481 1.00 0.00 N ATOM 779 CA VAL A 144 2.097 2.893 -7.477 1.00 0.00 C ATOM 780 C VAL A 144 1.669 3.459 -8.833 1.00 0.00 C ATOM 781 O VAL A 144 0.531 3.330 -9.239 1.00 0.00 O ATOM 782 CB VAL A 144 1.748 3.895 -6.376 1.00 0.00 C ATOM 783 CG1 VAL A 144 0.250 3.828 -6.079 1.00 0.00 C ATOM 784 CG2 VAL A 144 2.533 3.552 -5.108 1.00 0.00 C ATOM 0 H VAL A 144 4.115 3.295 -6.910 1.00 0.00 H new ATOM 0 HA VAL A 144 1.576 1.954 -7.293 1.00 0.00 H new ATOM 0 HB VAL A 144 2.008 4.901 -6.706 1.00 0.00 H new ATOM 0 HG11 VAL A 144 0.002 4.543 -5.294 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -0.311 4.071 -6.981 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -0.011 2.822 -5.750 1.00 0.00 H new ATOM 0 HG21 VAL A 144 2.285 4.266 -4.322 1.00 0.00 H new ATOM 0 HG22 VAL A 144 2.272 2.546 -4.780 1.00 0.00 H new ATOM 0 HG23 VAL A 144 3.602 3.600 -5.318 1.00 0.00 H new ATOM 794 N ARG A 145 2.572 4.087 -9.535 1.00 0.00 N ATOM 795 CA ARG A 145 2.219 4.662 -10.863 1.00 0.00 C ATOM 796 C ARG A 145 1.893 3.531 -11.842 1.00 0.00 C ATOM 797 O ARG A 145 1.422 3.762 -12.937 1.00 0.00 O ATOM 798 CB ARG A 145 3.401 5.473 -11.398 1.00 0.00 C ATOM 799 CG ARG A 145 2.932 6.884 -11.763 1.00 0.00 C ATOM 800 CD ARG A 145 3.264 7.845 -10.619 1.00 0.00 C ATOM 801 NE ARG A 145 2.020 8.539 -10.178 1.00 0.00 N ATOM 802 CZ ARG A 145 1.898 8.933 -8.940 1.00 0.00 C ATOM 803 NH1 ARG A 145 2.837 9.652 -8.388 1.00 0.00 N ATOM 804 NH2 ARG A 145 0.837 8.607 -8.253 1.00 0.00 N ATOM 0 H ARG A 145 3.540 4.227 -9.246 1.00 0.00 H new ATOM 0 HA ARG A 145 1.350 5.311 -10.757 1.00 0.00 H new ATOM 0 HB2 ARG A 145 4.190 5.524 -10.647 1.00 0.00 H new ATOM 0 HB3 ARG A 145 3.825 4.982 -12.274 1.00 0.00 H new ATOM 0 HG2 ARG A 145 3.418 7.214 -12.681 1.00 0.00 H new ATOM 0 HG3 ARG A 145 1.859 6.884 -11.952 1.00 0.00 H new ATOM 0 HD2 ARG A 145 3.703 7.297 -9.785 1.00 0.00 H new ATOM 0 HD3 ARG A 145 4.004 8.575 -10.946 1.00 0.00 H new ATOM 0 HE ARG A 145 1.265 8.706 -10.843 1.00 0.00 H new ATOM 0 HH11 ARG A 145 3.667 9.906 -8.924 1.00 0.00 H new ATOM 0 HH12 ARG A 145 2.741 9.960 -7.420 1.00 0.00 H new ATOM 0 HH21 ARG A 145 0.103 8.044 -8.684 1.00 0.00 H new ATOM 0 HH22 ARG A 145 0.742 8.915 -7.285 1.00 0.00 H new ATOM 818 N SER A 146 2.143 2.309 -11.457 1.00 0.00 N ATOM 819 CA SER A 146 1.848 1.168 -12.369 1.00 0.00 C ATOM 820 C SER A 146 0.649 0.383 -11.834 1.00 0.00 C ATOM 821 O SER A 146 0.013 -0.362 -12.552 1.00 0.00 O ATOM 822 CB SER A 146 3.066 0.249 -12.445 1.00 0.00 C ATOM 823 OG SER A 146 4.247 1.015 -12.247 1.00 0.00 O ATOM 0 H SER A 146 2.538 2.052 -10.552 1.00 0.00 H new ATOM 0 HA SER A 146 1.617 1.549 -13.364 1.00 0.00 H new ATOM 0 HB2 SER A 146 2.994 -0.532 -11.688 1.00 0.00 H new ATOM 0 HB3 SER A 146 3.100 -0.249 -13.414 1.00 0.00 H new ATOM 0 HG SER A 146 5.030 0.427 -12.294 1.00 0.00 H new ATOM 829 N VAL A 147 0.334 0.543 -10.577 1.00 0.00 N ATOM 830 CA VAL A 147 -0.823 -0.195 -9.999 1.00 0.00 C ATOM 831 C VAL A 147 -2.130 0.414 -10.528 1.00 0.00 C ATOM 832 O VAL A 147 -2.274 1.619 -10.563 1.00 0.00 O ATOM 833 CB VAL A 147 -0.788 -0.082 -8.475 1.00 0.00 C ATOM 834 CG1 VAL A 147 -1.981 -0.830 -7.878 1.00 0.00 C ATOM 835 CG2 VAL A 147 0.510 -0.699 -7.950 1.00 0.00 C ATOM 0 H VAL A 147 0.829 1.153 -9.926 1.00 0.00 H new ATOM 0 HA VAL A 147 -0.767 -1.245 -10.286 1.00 0.00 H new ATOM 0 HB VAL A 147 -0.837 0.969 -8.188 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -1.955 -0.749 -6.791 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -2.908 -0.395 -8.252 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -1.932 -1.881 -8.164 1.00 0.00 H new ATOM 0 HG21 VAL A 147 0.537 -0.619 -6.863 1.00 0.00 H new ATOM 0 HG22 VAL A 147 0.556 -1.749 -8.238 1.00 0.00 H new ATOM 0 HG23 VAL A 147 1.363 -0.168 -8.374 1.00 0.00 H new ATOM 845 N PRO A 148 -3.043 -0.438 -10.925 1.00 0.00 N ATOM 846 CA PRO A 148 -4.350 -0.011 -11.460 1.00 0.00 C ATOM 847 C PRO A 148 -5.325 0.338 -10.326 1.00 0.00 C ATOM 848 O PRO A 148 -6.520 0.164 -10.455 1.00 0.00 O ATOM 849 CB PRO A 148 -4.842 -1.244 -12.223 1.00 0.00 C ATOM 850 CG PRO A 148 -4.097 -2.459 -11.618 1.00 0.00 C ATOM 851 CD PRO A 148 -2.859 -1.903 -10.889 1.00 0.00 C ATOM 0 HA PRO A 148 -4.278 0.882 -12.081 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -5.921 -1.359 -12.120 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -4.632 -1.151 -13.288 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -4.741 -3.003 -10.927 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -3.803 -3.161 -12.399 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -2.801 -2.272 -9.865 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -1.937 -2.201 -11.388 1.00 0.00 H new ATOM 859 N SER A 149 -4.832 0.828 -9.220 1.00 0.00 N ATOM 860 CA SER A 149 -5.743 1.181 -8.094 1.00 0.00 C ATOM 861 C SER A 149 -6.769 0.063 -7.900 1.00 0.00 C ATOM 862 O SER A 149 -7.878 0.133 -8.394 1.00 0.00 O ATOM 863 CB SER A 149 -6.468 2.488 -8.416 1.00 0.00 C ATOM 864 OG SER A 149 -7.268 2.308 -9.578 1.00 0.00 O ATOM 0 H SER A 149 -3.841 0.998 -9.048 1.00 0.00 H new ATOM 0 HA SER A 149 -5.162 1.304 -7.180 1.00 0.00 H new ATOM 0 HB2 SER A 149 -7.092 2.788 -7.574 1.00 0.00 H new ATOM 0 HB3 SER A 149 -5.745 3.288 -8.578 1.00 0.00 H new ATOM 0 HG SER A 149 -7.504 1.361 -9.669 1.00 0.00 H new ATOM 870 N LEU A 150 -6.411 -0.969 -7.186 1.00 0.00 N ATOM 871 CA LEU A 150 -7.367 -2.090 -6.964 1.00 0.00 C ATOM 872 C LEU A 150 -7.631 -2.249 -5.466 1.00 0.00 C ATOM 873 O LEU A 150 -7.753 -3.348 -4.961 1.00 0.00 O ATOM 874 CB LEU A 150 -6.772 -3.386 -7.518 1.00 0.00 C ATOM 875 CG LEU A 150 -5.301 -3.487 -7.110 1.00 0.00 C ATOM 876 CD1 LEU A 150 -4.889 -4.959 -7.047 1.00 0.00 C ATOM 877 CD2 LEU A 150 -4.436 -2.759 -8.141 1.00 0.00 C ATOM 0 H LEU A 150 -5.498 -1.084 -6.747 1.00 0.00 H new ATOM 0 HA LEU A 150 -8.305 -1.873 -7.476 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -7.326 -4.245 -7.138 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.861 -3.405 -8.604 1.00 0.00 H new ATOM 0 HG LEU A 150 -5.163 -3.029 -6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -3.841 -5.031 -6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -5.506 -5.478 -6.313 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -5.026 -5.418 -8.026 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -3.388 -2.830 -7.852 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -4.574 -3.217 -9.120 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -4.729 -1.710 -8.187 1.00 0.00 H new ATOM 889 N CYS A 151 -7.723 -1.162 -4.751 1.00 0.00 N ATOM 890 CA CYS A 151 -7.981 -1.255 -3.288 1.00 0.00 C ATOM 891 C CYS A 151 -9.472 -1.494 -3.049 1.00 0.00 C ATOM 892 O CYS A 151 -10.301 -0.654 -3.338 1.00 0.00 O ATOM 893 CB CYS A 151 -7.558 0.051 -2.612 1.00 0.00 C ATOM 894 SG CYS A 151 -7.215 -0.258 -0.862 1.00 0.00 S ATOM 0 H CYS A 151 -7.631 -0.214 -5.117 1.00 0.00 H new ATOM 0 HA CYS A 151 -7.409 -2.082 -2.869 1.00 0.00 H new ATOM 0 HB2 CYS A 151 -6.672 0.456 -3.101 1.00 0.00 H new ATOM 0 HB3 CYS A 151 -8.346 0.797 -2.713 1.00 0.00 H new ATOM 0 HG CYS A 151 -6.421 -1.281 -0.750 1.00 0.00 H new