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= -3.71! C(o=-2.2!,f=-9.2!) USER MOD Set 1.2: A 132 CYS SG : rot 4:sc= 1.59 USER MOD Set 1.3: A 135 CYS SG : rot -56:sc= 0.847 USER MOD Set 1.4: A 151 CYS SG : rot 55:sc= -0.903 USER MOD Set 2.1: A 115 CYS SG : rot 118:sc= 0.752 USER MOD Set 2.2: A 118 CYS SG : rot -54:sc= -4.28! USER MOD Set 2.3: A 120 SER OG : rot 90:sc= 0.22 USER MOD Set 2.4: A 140 HIS : no HE2:sc= -15.4! C(o=-21!,f=-25!) USER MOD Set 2.5: A 143 CYS SG : rot -101:sc= -1.97! USER MOD Set 3.1: A 107 HIS : no HD1:sc= -3.07! C(o=-6.1!,f=-13!) USER MOD Set 3.2: A 109 TYR OH : rot 1:sc= -2.99! USER MOD Set 4.1: A 108 SER OG : rot 170:sc= -0.106 USER MOD Set 4.2: A 127 HIS : no HD1:sc= -0.0315 X(o=-0.14,f=-0.05) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0.0578 USER MOD Single : A 111 SER OG : rot 11:sc= 1.11 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -4.84! K(o=-4.8!,f=-2.1) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= -8.26! C(o=-8.3!,f=-19!) USER MOD Single : A 130 MET CE :methyl -148:sc= -0.0306 (180deg=-0.0498) 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 USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 ASN : amide:sc= -0.38 X(o=-0.38,f=-0.81) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N HIS A 102 -5.994 2.657 -2.698 1.00 0.00 N ATOM 133 CA HIS A 102 -5.141 2.218 -1.557 1.00 0.00 C ATOM 134 C HIS A 102 -4.753 3.432 -0.712 1.00 0.00 C ATOM 135 O HIS A 102 -4.431 4.483 -1.230 1.00 0.00 O ATOM 136 CB HIS A 102 -3.869 1.555 -2.090 1.00 0.00 C ATOM 137 CG HIS A 102 -4.227 0.342 -2.903 1.00 0.00 C ATOM 138 ND1 HIS A 102 -4.762 -0.801 -2.331 1.00 0.00 N ATOM 139 CD2 HIS A 102 -4.125 0.078 -4.246 1.00 0.00 C ATOM 140 CE1 HIS A 102 -4.961 -1.694 -3.319 1.00 0.00 C ATOM 141 NE2 HIS A 102 -4.590 -1.208 -4.506 1.00 0.00 N ATOM 0 HA HIS A 102 -5.698 1.506 -0.947 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -3.309 2.262 -2.702 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -3.222 1.270 -1.260 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -4.968 -0.941 -1.342 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -3.742 0.763 -4.988 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -5.370 -2.682 -3.170 1.00 0.00 H new ATOM 148 N LYS A 103 -4.769 3.294 0.584 1.00 0.00 N ATOM 149 CA LYS A 103 -4.389 4.437 1.459 1.00 0.00 C ATOM 150 C LYS A 103 -2.881 4.384 1.708 1.00 0.00 C ATOM 151 O LYS A 103 -2.416 4.565 2.815 1.00 0.00 O ATOM 152 CB LYS A 103 -5.132 4.333 2.791 1.00 0.00 C ATOM 153 CG LYS A 103 -6.640 4.409 2.542 1.00 0.00 C ATOM 154 CD LYS A 103 -6.983 5.755 1.900 1.00 0.00 C ATOM 155 CE LYS A 103 -8.261 6.311 2.532 1.00 0.00 C ATOM 156 NZ LYS A 103 -8.399 7.753 2.185 1.00 0.00 N ATOM 0 H LYS A 103 -5.029 2.439 1.075 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.654 5.378 0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -4.881 3.395 3.287 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.822 5.138 3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.954 3.593 1.891 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.181 4.293 3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.161 6.457 2.040 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.119 5.633 0.825 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -9.128 5.755 2.175 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -8.228 6.188 3.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -9.267 8.132 2.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.577 8.277 2.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -8.449 7.858 1.152 1.00 0.00 H new ATOM 170 N PHE A 104 -2.119 4.128 0.679 1.00 0.00 N ATOM 171 CA PHE A 104 -0.639 4.050 0.836 1.00 0.00 C ATOM 172 C PHE A 104 -0.155 5.167 1.761 1.00 0.00 C ATOM 173 O PHE A 104 -0.596 6.296 1.675 1.00 0.00 O ATOM 174 CB PHE A 104 0.025 4.203 -0.535 1.00 0.00 C ATOM 175 CG PHE A 104 -0.174 2.939 -1.336 1.00 0.00 C ATOM 176 CD1 PHE A 104 0.384 1.732 -0.893 1.00 0.00 C ATOM 177 CD2 PHE A 104 -0.914 2.972 -2.526 1.00 0.00 C ATOM 178 CE1 PHE A 104 0.201 0.560 -1.638 1.00 0.00 C ATOM 179 CE2 PHE A 104 -1.097 1.800 -3.271 1.00 0.00 C ATOM 180 CZ PHE A 104 -0.539 0.593 -2.827 1.00 0.00 C ATOM 0 H PHE A 104 -2.461 3.969 -0.269 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.374 3.085 1.269 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.404 5.053 -1.065 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.089 4.406 -0.415 1.00 0.00 H new ATOM 0 HD1 PHE A 104 0.955 1.706 0.023 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -1.343 3.902 -2.869 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.631 -0.370 -1.295 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.668 1.826 -4.187 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.680 -0.311 -3.401 1.00 0.00 H new ATOM 190 N ARG A 105 0.755 4.859 2.646 1.00 0.00 N ATOM 191 CA ARG A 105 1.276 5.899 3.576 1.00 0.00 C ATOM 192 C ARG A 105 2.725 5.568 3.935 1.00 0.00 C ATOM 193 O ARG A 105 3.023 4.494 4.421 1.00 0.00 O ATOM 194 CB ARG A 105 0.425 5.922 4.848 1.00 0.00 C ATOM 195 CG ARG A 105 -0.199 7.308 5.021 1.00 0.00 C ATOM 196 CD ARG A 105 0.205 7.885 6.379 1.00 0.00 C ATOM 197 NE ARG A 105 -0.948 8.619 6.969 1.00 0.00 N ATOM 198 CZ ARG A 105 -1.068 9.906 6.780 1.00 0.00 C ATOM 199 NH1 ARG A 105 -0.346 10.738 7.479 1.00 0.00 N ATOM 200 NH2 ARG A 105 -1.911 10.358 5.892 1.00 0.00 N ATOM 0 H ARG A 105 1.160 3.930 2.764 1.00 0.00 H new ATOM 0 HA ARG A 105 1.231 6.877 3.096 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -0.357 5.165 4.789 1.00 0.00 H new ATOM 0 HB3 ARG A 105 1.040 5.678 5.714 1.00 0.00 H new ATOM 0 HG2 ARG A 105 0.132 7.970 4.220 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -1.285 7.241 4.951 1.00 0.00 H new ATOM 0 HD2 ARG A 105 0.520 7.084 7.047 1.00 0.00 H new ATOM 0 HD3 ARG A 105 1.056 8.556 6.262 1.00 0.00 H new ATOM 0 HE ARG A 105 -1.644 8.117 7.521 1.00 0.00 H new ATOM 0 HH11 ARG A 105 0.312 10.384 8.173 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -0.440 11.743 7.331 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.475 9.707 5.346 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.006 11.363 5.744 1.00 0.00 H new ATOM 214 N LEU A 106 3.630 6.476 3.696 1.00 0.00 N ATOM 215 CA LEU A 106 5.056 6.203 4.021 1.00 0.00 C ATOM 216 C LEU A 106 5.175 5.811 5.495 1.00 0.00 C ATOM 217 O LEU A 106 4.708 6.507 6.375 1.00 0.00 O ATOM 218 CB LEU A 106 5.893 7.456 3.747 1.00 0.00 C ATOM 219 CG LEU A 106 5.645 8.494 4.841 1.00 0.00 C ATOM 220 CD1 LEU A 106 6.460 9.754 4.545 1.00 0.00 C ATOM 221 CD2 LEU A 106 4.159 8.848 4.882 1.00 0.00 C ATOM 0 H LEU A 106 3.443 7.393 3.291 1.00 0.00 H new ATOM 0 HA LEU A 106 5.422 5.386 3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.951 7.197 3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.634 7.872 2.773 1.00 0.00 H new ATOM 0 HG LEU A 106 5.948 8.083 5.804 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.283 10.494 5.326 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.520 9.503 4.517 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.159 10.164 3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.983 9.588 5.662 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.856 9.257 3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.577 7.951 5.095 1.00 0.00 H new ATOM 233 N HIS A 107 5.795 4.699 5.770 1.00 0.00 N ATOM 234 CA HIS A 107 5.946 4.256 7.183 1.00 0.00 C ATOM 235 C HIS A 107 7.422 4.311 7.571 1.00 0.00 C ATOM 236 O HIS A 107 8.260 4.733 6.800 1.00 0.00 O ATOM 237 CB HIS A 107 5.426 2.824 7.325 1.00 0.00 C ATOM 238 CG HIS A 107 3.931 2.852 7.479 1.00 0.00 C ATOM 239 ND1 HIS A 107 3.204 1.736 7.863 1.00 0.00 N ATOM 240 CD2 HIS A 107 3.010 3.855 7.301 1.00 0.00 C ATOM 241 CE1 HIS A 107 1.906 2.091 7.903 1.00 0.00 C ATOM 242 NE2 HIS A 107 1.732 3.373 7.569 1.00 0.00 N ATOM 0 H HIS A 107 6.205 4.076 5.075 1.00 0.00 H new ATOM 0 HA HIS A 107 5.374 4.912 7.839 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.702 2.236 6.450 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.883 2.343 8.189 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.242 4.865 6.999 1.00 0.00 H new ATOM 0 HE1 HIS A 107 1.103 1.421 8.172 1.00 0.00 H new ATOM 0 HE2 HIS A 107 0.853 3.887 7.521 1.00 0.00 H new ATOM 250 N SER A 108 7.749 3.897 8.763 1.00 0.00 N ATOM 251 CA SER A 108 9.175 3.936 9.196 1.00 0.00 C ATOM 252 C SER A 108 9.482 2.733 10.090 1.00 0.00 C ATOM 253 O SER A 108 9.579 2.852 11.294 1.00 0.00 O ATOM 254 CB SER A 108 9.432 5.227 9.974 1.00 0.00 C ATOM 255 OG SER A 108 8.648 6.275 9.418 1.00 0.00 O ATOM 0 H SER A 108 7.093 3.534 9.455 1.00 0.00 H new ATOM 0 HA SER A 108 9.819 3.901 8.317 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.180 5.088 11.025 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.490 5.487 9.931 1.00 0.00 H new ATOM 0 HG SER A 108 8.685 7.058 10.006 1.00 0.00 H new ATOM 261 N TYR A 109 9.646 1.574 9.509 1.00 0.00 N ATOM 262 CA TYR A 109 9.956 0.369 10.331 1.00 0.00 C ATOM 263 C TYR A 109 11.471 0.256 10.506 1.00 0.00 C ATOM 264 O TYR A 109 12.231 0.968 9.881 1.00 0.00 O ATOM 265 CB TYR A 109 9.441 -0.891 9.629 1.00 0.00 C ATOM 266 CG TYR A 109 8.224 -0.560 8.799 1.00 0.00 C ATOM 267 CD1 TYR A 109 6.978 -0.397 9.415 1.00 0.00 C ATOM 268 CD2 TYR A 109 8.342 -0.426 7.409 1.00 0.00 C ATOM 269 CE1 TYR A 109 5.848 -0.097 8.642 1.00 0.00 C ATOM 270 CE2 TYR A 109 7.212 -0.126 6.636 1.00 0.00 C ATOM 271 CZ TYR A 109 5.965 0.037 7.252 1.00 0.00 C ATOM 272 OH TYR A 109 4.853 0.330 6.491 1.00 0.00 O ATOM 0 H TYR A 109 9.579 1.410 8.504 1.00 0.00 H new ATOM 0 HA TYR A 109 9.471 0.465 11.303 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.222 -1.308 8.993 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.191 -1.652 10.368 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.887 -0.502 10.486 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.303 -0.554 6.934 1.00 0.00 H new ATOM 0 HE1 TYR A 109 4.887 0.031 9.118 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.303 -0.021 5.565 1.00 0.00 H new ATOM 0 HH TYR A 109 4.074 0.433 7.076 1.00 0.00 H new ATOM 282 N SER A 110 11.917 -0.640 11.343 1.00 0.00 N ATOM 283 CA SER A 110 13.383 -0.801 11.543 1.00 0.00 C ATOM 284 C SER A 110 14.036 -1.109 10.195 1.00 0.00 C ATOM 285 O SER A 110 15.230 -0.961 10.019 1.00 0.00 O ATOM 286 CB SER A 110 13.643 -1.955 12.512 1.00 0.00 C ATOM 287 OG SER A 110 12.568 -2.041 13.438 1.00 0.00 O ATOM 0 H SER A 110 11.331 -1.266 11.895 1.00 0.00 H new ATOM 0 HA SER A 110 13.803 0.116 11.956 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.741 -2.891 11.963 1.00 0.00 H new ATOM 0 HB3 SER A 110 14.582 -1.796 13.041 1.00 0.00 H new ATOM 0 HG SER A 110 12.730 -2.781 14.060 1.00 0.00 H new ATOM 293 N SER A 111 13.255 -1.534 9.240 1.00 0.00 N ATOM 294 CA SER A 111 13.813 -1.851 7.896 1.00 0.00 C ATOM 295 C SER A 111 12.679 -1.832 6.866 1.00 0.00 C ATOM 296 O SER A 111 11.521 -1.914 7.223 1.00 0.00 O ATOM 297 CB SER A 111 14.454 -3.239 7.923 1.00 0.00 C ATOM 298 OG SER A 111 15.730 -3.155 8.544 1.00 0.00 O ATOM 0 H SER A 111 12.249 -1.676 9.334 1.00 0.00 H new ATOM 0 HA SER A 111 14.567 -1.111 7.627 1.00 0.00 H new ATOM 0 HB2 SER A 111 13.817 -3.936 8.468 1.00 0.00 H new ATOM 0 HB3 SER A 111 14.555 -3.625 6.909 1.00 0.00 H new ATOM 0 HG SER A 111 15.831 -2.276 8.966 1.00 0.00 H new ATOM 304 N PRO A 112 13.047 -1.719 5.616 1.00 0.00 N ATOM 305 CA PRO A 112 12.080 -1.682 4.506 1.00 0.00 C ATOM 306 C PRO A 112 11.551 -3.085 4.199 1.00 0.00 C ATOM 307 O PRO A 112 12.271 -4.062 4.272 1.00 0.00 O ATOM 308 CB PRO A 112 12.897 -1.129 3.335 1.00 0.00 C ATOM 309 CG PRO A 112 14.382 -1.408 3.668 1.00 0.00 C ATOM 310 CD PRO A 112 14.459 -1.621 5.193 1.00 0.00 C ATOM 0 HA PRO A 112 11.200 -1.077 4.726 1.00 0.00 H new ATOM 0 HB2 PRO A 112 12.611 -1.611 2.400 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.721 -0.061 3.209 1.00 0.00 H new ATOM 0 HG2 PRO A 112 14.740 -2.289 3.135 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.011 -0.573 3.361 1.00 0.00 H new ATOM 0 HD2 PRO A 112 15.013 -2.526 5.441 1.00 0.00 H new ATOM 0 HD3 PRO A 112 14.966 -0.792 5.686 1.00 0.00 H new ATOM 318 N THR A 113 10.297 -3.188 3.855 1.00 0.00 N ATOM 319 CA THR A 113 9.713 -4.521 3.542 1.00 0.00 C ATOM 320 C THR A 113 9.894 -4.808 2.053 1.00 0.00 C ATOM 321 O THR A 113 10.364 -3.977 1.304 1.00 0.00 O ATOM 322 CB THR A 113 8.222 -4.518 3.884 1.00 0.00 C ATOM 323 OG1 THR A 113 7.986 -3.620 4.961 1.00 0.00 O ATOM 324 CG2 THR A 113 7.784 -5.926 4.288 1.00 0.00 C ATOM 0 H THR A 113 9.650 -2.403 3.777 1.00 0.00 H new ATOM 0 HA THR A 113 10.216 -5.290 4.129 1.00 0.00 H new ATOM 0 HB THR A 113 7.651 -4.200 3.012 1.00 0.00 H new ATOM 0 HG1 THR A 113 7.031 -3.616 5.180 1.00 0.00 H new ATOM 0 HG21 THR A 113 6.721 -5.921 4.531 1.00 0.00 H new ATOM 0 HG22 THR A 113 7.964 -6.614 3.462 1.00 0.00 H new ATOM 0 HG23 THR A 113 8.354 -6.248 5.159 1.00 0.00 H new ATOM 332 N PHE A 114 9.530 -5.980 1.617 1.00 0.00 N ATOM 333 CA PHE A 114 9.692 -6.319 0.175 1.00 0.00 C ATOM 334 C PHE A 114 8.552 -5.696 -0.633 1.00 0.00 C ATOM 335 O PHE A 114 7.433 -5.588 -0.170 1.00 0.00 O ATOM 336 CB PHE A 114 9.669 -7.838 0.001 1.00 0.00 C ATOM 337 CG PHE A 114 11.021 -8.409 0.358 1.00 0.00 C ATOM 338 CD1 PHE A 114 11.366 -8.604 1.702 1.00 0.00 C ATOM 339 CD2 PHE A 114 11.929 -8.745 -0.655 1.00 0.00 C ATOM 340 CE1 PHE A 114 12.620 -9.134 2.033 1.00 0.00 C ATOM 341 CE2 PHE A 114 13.183 -9.275 -0.324 1.00 0.00 C ATOM 342 CZ PHE A 114 13.528 -9.470 1.020 1.00 0.00 C ATOM 0 H PHE A 114 9.128 -6.718 2.195 1.00 0.00 H new ATOM 0 HA PHE A 114 10.644 -5.926 -0.182 1.00 0.00 H new ATOM 0 HB2 PHE A 114 8.899 -8.275 0.636 1.00 0.00 H new ATOM 0 HB3 PHE A 114 9.416 -8.093 -1.028 1.00 0.00 H new ATOM 0 HD1 PHE A 114 10.666 -8.346 2.482 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.662 -8.595 -1.691 1.00 0.00 H new ATOM 0 HE1 PHE A 114 12.887 -9.284 3.069 1.00 0.00 H new ATOM 0 HE2 PHE A 114 13.883 -9.533 -1.104 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.494 -9.879 1.275 1.00 0.00 H new ATOM 352 N CYS A 115 8.830 -5.288 -1.841 1.00 0.00 N ATOM 353 CA CYS A 115 7.772 -4.671 -2.690 1.00 0.00 C ATOM 354 C CYS A 115 6.871 -5.772 -3.254 1.00 0.00 C ATOM 355 O CYS A 115 7.316 -6.863 -3.551 1.00 0.00 O ATOM 356 CB CYS A 115 8.438 -3.899 -3.828 1.00 0.00 C ATOM 357 SG CYS A 115 7.183 -3.161 -4.901 1.00 0.00 S ATOM 0 H CYS A 115 9.749 -5.356 -2.278 1.00 0.00 H new ATOM 0 HA CYS A 115 7.165 -3.986 -2.098 1.00 0.00 H new ATOM 0 HB2 CYS A 115 9.082 -3.120 -3.420 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.074 -4.568 -4.407 1.00 0.00 H new ATOM 0 HG CYS A 115 7.300 -1.866 -4.879 1.00 0.00 H new ATOM 362 N ASP A 116 5.603 -5.499 -3.390 1.00 0.00 N ATOM 363 CA ASP A 116 4.666 -6.536 -3.917 1.00 0.00 C ATOM 364 C ASP A 116 4.482 -6.369 -5.427 1.00 0.00 C ATOM 365 O ASP A 116 4.030 -7.267 -6.108 1.00 0.00 O ATOM 366 CB ASP A 116 3.308 -6.392 -3.223 1.00 0.00 C ATOM 367 CG ASP A 116 2.769 -4.977 -3.442 1.00 0.00 C ATOM 368 OD1 ASP A 116 3.098 -4.389 -4.459 1.00 0.00 O ATOM 369 OD2 ASP A 116 2.037 -4.506 -2.588 1.00 0.00 O ATOM 0 H ASP A 116 5.173 -4.603 -3.160 1.00 0.00 H new ATOM 0 HA ASP A 116 5.083 -7.523 -3.718 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.606 -7.125 -3.620 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.410 -6.593 -2.156 1.00 0.00 H new ATOM 374 N HIS A 117 4.822 -5.229 -5.957 1.00 0.00 N ATOM 375 CA HIS A 117 4.658 -5.011 -7.422 1.00 0.00 C ATOM 376 C HIS A 117 5.924 -5.460 -8.155 1.00 0.00 C ATOM 377 O HIS A 117 5.872 -5.892 -9.289 1.00 0.00 O ATOM 378 CB HIS A 117 4.413 -3.526 -7.693 1.00 0.00 C ATOM 379 CG HIS A 117 4.459 -3.273 -9.175 1.00 0.00 C ATOM 380 ND1 HIS A 117 3.312 -3.202 -9.949 1.00 0.00 N ATOM 381 CD2 HIS A 117 5.507 -3.073 -10.039 1.00 0.00 C ATOM 382 CE1 HIS A 117 3.693 -2.968 -11.218 1.00 0.00 C ATOM 383 NE2 HIS A 117 5.021 -2.881 -11.328 1.00 0.00 N ATOM 0 H HIS A 117 5.206 -4.438 -5.440 1.00 0.00 H new ATOM 0 HA HIS A 117 3.808 -5.592 -7.780 1.00 0.00 H new ATOM 0 HB2 HIS A 117 3.445 -3.227 -7.292 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.167 -2.924 -7.187 1.00 0.00 H new ATOM 0 HD2 HIS A 117 6.550 -3.066 -9.760 1.00 0.00 H new ATOM 0 HE1 HIS A 117 3.008 -2.863 -12.047 1.00 0.00 H new ATOM 0 HE2 HIS A 117 5.563 -2.710 -12.175 1.00 0.00 H new ATOM 391 N CYS A 118 7.062 -5.365 -7.520 1.00 0.00 N ATOM 392 CA CYS A 118 8.320 -5.793 -8.197 1.00 0.00 C ATOM 393 C CYS A 118 9.015 -6.877 -7.366 1.00 0.00 C ATOM 394 O CYS A 118 9.842 -7.615 -7.863 1.00 0.00 O ATOM 395 CB CYS A 118 9.252 -4.589 -8.361 1.00 0.00 C ATOM 396 SG CYS A 118 9.587 -3.857 -6.742 1.00 0.00 S ATOM 0 H CYS A 118 7.175 -5.012 -6.569 1.00 0.00 H new ATOM 0 HA CYS A 118 8.078 -6.197 -9.180 1.00 0.00 H new ATOM 0 HB2 CYS A 118 10.185 -4.900 -8.831 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.795 -3.849 -9.018 1.00 0.00 H new ATOM 0 HG CYS A 118 8.463 -3.580 -6.150 1.00 0.00 H new ATOM 401 N GLY A 119 8.682 -6.988 -6.107 1.00 0.00 N ATOM 402 CA GLY A 119 9.321 -8.034 -5.257 1.00 0.00 C ATOM 403 C GLY A 119 10.734 -7.595 -4.861 1.00 0.00 C ATOM 404 O GLY A 119 11.570 -8.405 -4.515 1.00 0.00 O ATOM 0 H GLY A 119 7.997 -6.401 -5.632 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.721 -8.205 -4.364 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.363 -8.979 -5.799 1.00 0.00 H new ATOM 408 N SER A 120 11.007 -6.320 -4.904 1.00 0.00 N ATOM 409 CA SER A 120 12.364 -5.836 -4.526 1.00 0.00 C ATOM 410 C SER A 120 12.290 -5.110 -3.181 1.00 0.00 C ATOM 411 O SER A 120 11.410 -4.306 -2.946 1.00 0.00 O ATOM 412 CB SER A 120 12.880 -4.875 -5.598 1.00 0.00 C ATOM 413 OG SER A 120 12.635 -5.430 -6.883 1.00 0.00 O ATOM 0 H SER A 120 10.349 -5.593 -5.185 1.00 0.00 H new ATOM 0 HA SER A 120 13.043 -6.685 -4.443 1.00 0.00 H new ATOM 0 HB2 SER A 120 12.384 -3.909 -5.506 1.00 0.00 H new ATOM 0 HB3 SER A 120 13.947 -4.700 -5.462 1.00 0.00 H new ATOM 0 HG SER A 120 11.753 -5.145 -7.200 1.00 0.00 H new ATOM 419 N LEU A 121 13.208 -5.386 -2.294 1.00 0.00 N ATOM 420 CA LEU A 121 13.187 -4.710 -0.965 1.00 0.00 C ATOM 421 C LEU A 121 13.217 -3.194 -1.155 1.00 0.00 C ATOM 422 O LEU A 121 14.071 -2.657 -1.833 1.00 0.00 O ATOM 423 CB LEU A 121 14.406 -5.143 -0.148 1.00 0.00 C ATOM 424 CG LEU A 121 14.047 -6.371 0.688 1.00 0.00 C ATOM 425 CD1 LEU A 121 15.315 -7.167 1.000 1.00 0.00 C ATOM 426 CD2 LEU A 121 13.393 -5.918 1.996 1.00 0.00 C ATOM 0 H LEU A 121 13.970 -6.049 -2.432 1.00 0.00 H new ATOM 0 HA LEU A 121 12.276 -4.991 -0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.240 -5.372 -0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 121 14.730 -4.330 0.501 1.00 0.00 H new ATOM 0 HG LEU A 121 13.354 -7.001 0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 121 15.058 -8.042 1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 121 15.782 -7.487 0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 121 16.010 -6.540 1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 121 13.135 -6.791 2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 121 14.088 -5.289 2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 121 12.489 -5.351 1.774 1.00 0.00 H new ATOM 438 N LEU A 122 12.289 -2.499 -0.556 1.00 0.00 N ATOM 439 CA LEU A 122 12.258 -1.017 -0.693 1.00 0.00 C ATOM 440 C LEU A 122 13.621 -0.439 -0.305 1.00 0.00 C ATOM 441 O LEU A 122 13.860 -0.103 0.838 1.00 0.00 O ATOM 442 CB LEU A 122 11.181 -0.442 0.230 1.00 0.00 C ATOM 443 CG LEU A 122 9.833 -1.087 -0.096 1.00 0.00 C ATOM 444 CD1 LEU A 122 8.965 -1.118 1.164 1.00 0.00 C ATOM 445 CD2 LEU A 122 9.127 -0.269 -1.180 1.00 0.00 C ATOM 0 H LEU A 122 11.549 -2.896 0.024 1.00 0.00 H new ATOM 0 HA LEU A 122 12.032 -0.753 -1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 122 11.443 -0.628 1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 122 11.119 0.639 0.105 1.00 0.00 H new ATOM 0 HG LEU A 122 9.993 -2.104 -0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.004 -1.578 0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 122 9.468 -1.698 1.938 1.00 0.00 H new ATOM 0 HD13 LEU A 122 8.804 -0.100 1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.166 -0.727 -1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.967 0.748 -0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.745 -0.244 -2.078 1.00 0.00 H new ATOM 457 N TYR A 123 14.515 -0.319 -1.248 1.00 0.00 N ATOM 458 CA TYR A 123 15.859 0.239 -0.931 1.00 0.00 C ATOM 459 C TYR A 123 15.693 1.581 -0.215 1.00 0.00 C ATOM 460 O TYR A 123 14.594 2.014 0.067 1.00 0.00 O ATOM 461 CB TYR A 123 16.645 0.447 -2.227 1.00 0.00 C ATOM 462 CG TYR A 123 17.043 -0.894 -2.797 1.00 0.00 C ATOM 463 CD1 TYR A 123 16.155 -1.596 -3.624 1.00 0.00 C ATOM 464 CD2 TYR A 123 18.301 -1.436 -2.499 1.00 0.00 C ATOM 465 CE1 TYR A 123 16.526 -2.840 -4.153 1.00 0.00 C ATOM 466 CE2 TYR A 123 18.670 -2.679 -3.028 1.00 0.00 C ATOM 467 CZ TYR A 123 17.784 -3.381 -3.855 1.00 0.00 C ATOM 468 OH TYR A 123 18.149 -4.606 -4.376 1.00 0.00 O ATOM 0 H TYR A 123 14.373 -0.583 -2.223 1.00 0.00 H new ATOM 0 HA TYR A 123 16.400 -0.455 -0.287 1.00 0.00 H new ATOM 0 HB2 TYR A 123 16.039 0.995 -2.948 1.00 0.00 H new ATOM 0 HB3 TYR A 123 17.533 1.050 -2.034 1.00 0.00 H new ATOM 0 HD1 TYR A 123 15.186 -1.179 -3.853 1.00 0.00 H new ATOM 0 HD2 TYR A 123 18.985 -0.895 -1.862 1.00 0.00 H new ATOM 0 HE1 TYR A 123 15.842 -3.381 -4.790 1.00 0.00 H new ATOM 0 HE2 TYR A 123 19.639 -3.097 -2.798 1.00 0.00 H new ATOM 0 HH TYR A 123 19.052 -4.835 -4.072 1.00 0.00 H new ATOM 478 N GLY A 124 16.777 2.245 0.082 1.00 0.00 N ATOM 479 CA GLY A 124 16.676 3.559 0.777 1.00 0.00 C ATOM 480 C GLY A 124 15.867 4.530 -0.084 1.00 0.00 C ATOM 481 O GLY A 124 15.424 5.563 0.375 1.00 0.00 O ATOM 0 H GLY A 124 17.726 1.935 -0.126 1.00 0.00 H new ATOM 0 HA2 GLY A 124 16.198 3.433 1.749 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.672 3.962 0.961 1.00 0.00 H new ATOM 485 N LEU A 125 15.670 4.204 -1.333 1.00 0.00 N ATOM 486 CA LEU A 125 14.890 5.107 -2.226 1.00 0.00 C ATOM 487 C LEU A 125 13.637 5.595 -1.495 1.00 0.00 C ATOM 488 O LEU A 125 13.126 6.662 -1.768 1.00 0.00 O ATOM 489 CB LEU A 125 14.479 4.344 -3.488 1.00 0.00 C ATOM 490 CG LEU A 125 15.710 4.097 -4.359 1.00 0.00 C ATOM 491 CD1 LEU A 125 15.276 3.512 -5.705 1.00 0.00 C ATOM 492 CD2 LEU A 125 16.443 5.421 -4.594 1.00 0.00 C ATOM 0 H LEU A 125 16.016 3.351 -1.773 1.00 0.00 H new ATOM 0 HA LEU A 125 15.505 5.964 -2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 125 14.016 3.395 -3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 125 13.735 4.914 -4.044 1.00 0.00 H new ATOM 0 HG LEU A 125 16.375 3.396 -3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 125 16.155 3.336 -6.326 1.00 0.00 H new ATOM 0 HD12 LEU A 125 14.753 2.570 -5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 125 14.610 4.213 -6.209 1.00 0.00 H new ATOM 0 HD21 LEU A 125 17.321 5.245 -5.215 1.00 0.00 H new ATOM 0 HD22 LEU A 125 15.777 6.121 -5.097 1.00 0.00 H new ATOM 0 HD23 LEU A 125 16.754 5.840 -3.637 1.00 0.00 H new ATOM 504 N VAL A 126 13.138 4.823 -0.568 1.00 0.00 N ATOM 505 CA VAL A 126 11.918 5.249 0.175 1.00 0.00 C ATOM 506 C VAL A 126 12.243 5.361 1.666 1.00 0.00 C ATOM 507 O VAL A 126 13.020 4.594 2.199 1.00 0.00 O ATOM 508 CB VAL A 126 10.809 4.214 -0.030 1.00 0.00 C ATOM 509 CG1 VAL A 126 10.606 3.972 -1.526 1.00 0.00 C ATOM 510 CG2 VAL A 126 11.207 2.902 0.650 1.00 0.00 C ATOM 0 H VAL A 126 13.521 3.918 -0.294 1.00 0.00 H new ATOM 0 HA VAL A 126 11.584 6.217 -0.198 1.00 0.00 H new ATOM 0 HB VAL A 126 9.881 4.584 0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 126 9.816 3.235 -1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 126 10.324 4.907 -2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 126 11.533 3.602 -1.964 1.00 0.00 H new ATOM 0 HG21 VAL A 126 10.419 2.163 0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 126 12.135 2.533 0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 126 11.351 3.074 1.717 1.00 0.00 H new ATOM 520 N HIS A 127 11.652 6.307 2.344 1.00 0.00 N ATOM 521 CA HIS A 127 11.927 6.463 3.801 1.00 0.00 C ATOM 522 C HIS A 127 11.919 5.084 4.462 1.00 0.00 C ATOM 523 O HIS A 127 12.611 4.845 5.430 1.00 0.00 O ATOM 524 CB HIS A 127 10.844 7.338 4.434 1.00 0.00 C ATOM 525 CG HIS A 127 11.197 7.612 5.871 1.00 0.00 C ATOM 526 ND1 HIS A 127 10.263 7.520 6.891 1.00 0.00 N ATOM 527 CD2 HIS A 127 12.377 7.973 6.473 1.00 0.00 C ATOM 528 CE1 HIS A 127 10.890 7.821 8.043 1.00 0.00 C ATOM 529 NE2 HIS A 127 12.180 8.106 7.844 1.00 0.00 N ATOM 0 H HIS A 127 10.991 6.978 1.952 1.00 0.00 H new ATOM 0 HA HIS A 127 12.900 6.934 3.943 1.00 0.00 H new ATOM 0 HB2 HIS A 127 10.752 8.276 3.886 1.00 0.00 H new ATOM 0 HB3 HIS A 127 9.877 6.838 4.375 1.00 0.00 H new ATOM 0 HD2 HIS A 127 13.315 8.130 5.961 1.00 0.00 H new ATOM 0 HE1 HIS A 127 10.409 7.831 9.010 1.00 0.00 H new ATOM 0 HE2 HIS A 127 12.872 8.366 8.547 1.00 0.00 H new ATOM 537 N GLN A 128 11.142 4.175 3.940 1.00 0.00 N ATOM 538 CA GLN A 128 11.085 2.808 4.528 1.00 0.00 C ATOM 539 C GLN A 128 10.233 1.909 3.627 1.00 0.00 C ATOM 540 O GLN A 128 10.618 0.806 3.293 1.00 0.00 O ATOM 541 CB GLN A 128 10.458 2.877 5.922 1.00 0.00 C ATOM 542 CG GLN A 128 11.538 2.667 6.988 1.00 0.00 C ATOM 543 CD GLN A 128 12.327 1.395 6.678 1.00 0.00 C ATOM 544 OE1 GLN A 128 11.796 0.461 6.114 1.00 0.00 O ATOM 545 NE2 GLN A 128 13.584 1.320 7.023 1.00 0.00 N ATOM 0 H GLN A 128 10.542 4.322 3.128 1.00 0.00 H new ATOM 0 HA GLN A 128 12.093 2.400 4.606 1.00 0.00 H new ATOM 0 HB2 GLN A 128 9.975 3.843 6.066 1.00 0.00 H new ATOM 0 HB3 GLN A 128 9.684 2.116 6.021 1.00 0.00 H new ATOM 0 HG2 GLN A 128 12.209 3.526 7.014 1.00 0.00 H new ATOM 0 HG3 GLN A 128 11.080 2.591 7.974 1.00 0.00 H new ATOM 0 HE21 GLN A 128 14.030 2.105 7.497 1.00 0.00 H new ATOM 0 HE22 GLN A 128 14.120 0.476 6.818 1.00 0.00 H new ATOM 554 N GLY A 129 9.079 2.373 3.231 1.00 0.00 N ATOM 555 CA GLY A 129 8.204 1.547 2.351 1.00 0.00 C ATOM 556 C GLY A 129 6.780 2.108 2.372 1.00 0.00 C ATOM 557 O GLY A 129 6.334 2.656 3.361 1.00 0.00 O ATOM 0 H GLY A 129 8.704 3.289 3.479 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.591 1.548 1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 129 8.203 0.511 2.691 1.00 0.00 H new ATOM 561 N MET A 130 6.061 1.977 1.289 1.00 0.00 N ATOM 562 CA MET A 130 4.667 2.503 1.254 1.00 0.00 C ATOM 563 C MET A 130 3.702 1.414 1.726 1.00 0.00 C ATOM 564 O MET A 130 3.577 0.376 1.109 1.00 0.00 O ATOM 565 CB MET A 130 4.310 2.913 -0.177 1.00 0.00 C ATOM 566 CG MET A 130 5.487 3.662 -0.802 1.00 0.00 C ATOM 567 SD MET A 130 4.983 5.354 -1.200 1.00 0.00 S ATOM 568 CE MET A 130 5.609 6.133 0.309 1.00 0.00 C ATOM 0 H MET A 130 6.379 1.529 0.429 1.00 0.00 H new ATOM 0 HA MET A 130 4.589 3.370 1.910 1.00 0.00 H new ATOM 0 HB2 MET A 130 4.071 2.031 -0.770 1.00 0.00 H new ATOM 0 HB3 MET A 130 3.423 3.546 -0.175 1.00 0.00 H new ATOM 0 HG2 MET A 130 6.331 3.675 -0.112 1.00 0.00 H new ATOM 0 HG3 MET A 130 5.821 3.149 -1.704 1.00 0.00 H new ATOM 0 HE1 MET A 130 4.973 6.978 0.573 1.00 0.00 H new ATOM 0 HE2 MET A 130 5.604 5.407 1.122 1.00 0.00 H new ATOM 0 HE3 MET A 130 6.628 6.483 0.142 1.00 0.00 H new ATOM 578 N LYS A 131 3.023 1.638 2.817 1.00 0.00 N ATOM 579 CA LYS A 131 2.072 0.610 3.325 1.00 0.00 C ATOM 580 C LYS A 131 0.635 1.100 3.147 1.00 0.00 C ATOM 581 O LYS A 131 0.292 2.201 3.531 1.00 0.00 O ATOM 582 CB LYS A 131 2.339 0.359 4.807 1.00 0.00 C ATOM 583 CG LYS A 131 1.587 -0.896 5.258 1.00 0.00 C ATOM 584 CD LYS A 131 1.030 -0.677 6.666 1.00 0.00 C ATOM 585 CE LYS A 131 0.614 -2.022 7.265 1.00 0.00 C ATOM 586 NZ LYS A 131 0.429 -1.875 8.737 1.00 0.00 N ATOM 0 H LYS A 131 3.085 2.488 3.378 1.00 0.00 H new ATOM 0 HA LYS A 131 2.210 -0.314 2.764 1.00 0.00 H new ATOM 0 HB2 LYS A 131 3.408 0.236 4.979 1.00 0.00 H new ATOM 0 HB3 LYS A 131 2.018 1.219 5.396 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.776 -1.116 4.564 1.00 0.00 H new ATOM 0 HG3 LYS A 131 2.256 -1.757 5.249 1.00 0.00 H new ATOM 0 HD2 LYS A 131 1.782 -0.203 7.297 1.00 0.00 H new ATOM 0 HD3 LYS A 131 0.174 -0.003 6.629 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -0.312 -2.367 6.804 1.00 0.00 H new ATOM 0 HE3 LYS A 131 1.374 -2.775 7.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 0.146 -2.789 9.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 1.322 -1.565 9.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -0.311 -1.169 8.925 1.00 0.00 H new ATOM 600 N CYS A 132 -0.208 0.289 2.574 1.00 0.00 N ATOM 601 CA CYS A 132 -1.624 0.707 2.378 1.00 0.00 C ATOM 602 C CYS A 132 -2.380 0.564 3.701 1.00 0.00 C ATOM 603 O CYS A 132 -2.538 -0.523 4.223 1.00 0.00 O ATOM 604 CB CYS A 132 -2.279 -0.177 1.314 1.00 0.00 C ATOM 605 SG CYS A 132 -4.060 0.146 1.273 1.00 0.00 S ATOM 0 H CYS A 132 0.021 -0.645 2.233 1.00 0.00 H new ATOM 0 HA CYS A 132 -1.655 1.746 2.050 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -1.839 0.025 0.337 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -2.094 -1.228 1.535 1.00 0.00 H new ATOM 0 HG CYS A 132 -4.345 1.110 2.098 1.00 0.00 H new ATOM 610 N SER A 133 -2.850 1.653 4.247 1.00 0.00 N ATOM 611 CA SER A 133 -3.594 1.581 5.539 1.00 0.00 C ATOM 612 C SER A 133 -5.068 1.257 5.276 1.00 0.00 C ATOM 613 O SER A 133 -5.948 1.714 5.978 1.00 0.00 O ATOM 614 CB SER A 133 -3.492 2.926 6.259 1.00 0.00 C ATOM 615 OG SER A 133 -2.197 3.474 6.050 1.00 0.00 O ATOM 0 H SER A 133 -2.751 2.589 3.855 1.00 0.00 H new ATOM 0 HA SER A 133 -3.159 0.797 6.159 1.00 0.00 H new ATOM 0 HB2 SER A 133 -4.254 3.610 5.885 1.00 0.00 H new ATOM 0 HB3 SER A 133 -3.676 2.796 7.325 1.00 0.00 H new ATOM 0 HG SER A 133 -2.129 4.337 6.509 1.00 0.00 H new ATOM 621 N CYS A 134 -5.346 0.467 4.274 1.00 0.00 N ATOM 622 CA CYS A 134 -6.761 0.111 3.972 1.00 0.00 C ATOM 623 C CYS A 134 -6.864 -1.399 3.748 1.00 0.00 C ATOM 624 O CYS A 134 -7.847 -2.023 4.094 1.00 0.00 O ATOM 625 CB CYS A 134 -7.215 0.848 2.711 1.00 0.00 C ATOM 626 SG CYS A 134 -8.993 1.173 2.811 1.00 0.00 S ATOM 0 H CYS A 134 -4.653 0.053 3.651 1.00 0.00 H new ATOM 0 HA CYS A 134 -7.398 0.401 4.808 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -6.668 1.785 2.608 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -6.993 0.250 1.827 1.00 0.00 H new ATOM 0 HG CYS A 134 -9.380 1.801 1.741 1.00 0.00 H new ATOM 632 N CYS A 135 -5.853 -1.993 3.171 1.00 0.00 N ATOM 633 CA CYS A 135 -5.891 -3.461 2.925 1.00 0.00 C ATOM 634 C CYS A 135 -4.543 -4.078 3.308 1.00 0.00 C ATOM 635 O CYS A 135 -4.272 -5.226 3.018 1.00 0.00 O ATOM 636 CB CYS A 135 -6.173 -3.722 1.442 1.00 0.00 C ATOM 637 SG CYS A 135 -4.721 -3.270 0.456 1.00 0.00 S ATOM 0 H CYS A 135 -5.003 -1.523 2.860 1.00 0.00 H new ATOM 0 HA CYS A 135 -6.679 -3.911 3.528 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -6.417 -4.773 1.288 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -7.038 -3.143 1.119 1.00 0.00 H new ATOM 0 HG CYS A 135 -4.406 -2.031 0.690 1.00 0.00 H new ATOM 642 N GLU A 136 -3.691 -3.323 3.951 1.00 0.00 N ATOM 643 CA GLU A 136 -2.361 -3.867 4.345 1.00 0.00 C ATOM 644 C GLU A 136 -1.575 -4.230 3.086 1.00 0.00 C ATOM 645 O GLU A 136 -1.452 -5.385 2.727 1.00 0.00 O ATOM 646 CB GLU A 136 -2.548 -5.115 5.213 1.00 0.00 C ATOM 647 CG GLU A 136 -3.173 -4.717 6.551 1.00 0.00 C ATOM 648 CD GLU A 136 -4.558 -5.355 6.677 1.00 0.00 C ATOM 649 OE1 GLU A 136 -5.270 -5.378 5.688 1.00 0.00 O ATOM 650 OE2 GLU A 136 -4.882 -5.809 7.763 1.00 0.00 O ATOM 0 H GLU A 136 -3.860 -2.354 4.220 1.00 0.00 H new ATOM 0 HA GLU A 136 -1.814 -3.116 4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -3.187 -5.835 4.701 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -1.587 -5.603 5.379 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -2.535 -5.041 7.373 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -3.253 -3.632 6.619 1.00 0.00 H new ATOM 657 N MET A 137 -1.047 -3.249 2.407 1.00 0.00 N ATOM 658 CA MET A 137 -0.274 -3.531 1.165 1.00 0.00 C ATOM 659 C MET A 137 1.128 -2.931 1.287 1.00 0.00 C ATOM 660 O MET A 137 1.434 -2.232 2.233 1.00 0.00 O ATOM 661 CB MET A 137 -0.994 -2.904 -0.031 1.00 0.00 C ATOM 662 CG MET A 137 -0.723 -3.735 -1.286 1.00 0.00 C ATOM 663 SD MET A 137 -2.262 -3.938 -2.218 1.00 0.00 S ATOM 664 CE MET A 137 -1.543 -4.725 -3.679 1.00 0.00 C ATOM 0 H MET A 137 -1.118 -2.263 2.659 1.00 0.00 H new ATOM 0 HA MET A 137 -0.195 -4.609 1.022 1.00 0.00 H new ATOM 0 HB2 MET A 137 -2.066 -2.856 0.161 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.651 -1.880 -0.179 1.00 0.00 H new ATOM 0 HG2 MET A 137 0.028 -3.244 -1.905 1.00 0.00 H new ATOM 0 HG3 MET A 137 -0.321 -4.710 -1.010 1.00 0.00 H new ATOM 0 HE1 MET A 137 -2.331 -4.942 -4.400 1.00 0.00 H new ATOM 0 HE2 MET A 137 -0.812 -4.054 -4.131 1.00 0.00 H new ATOM 0 HE3 MET A 137 -1.052 -5.653 -3.388 1.00 0.00 H new ATOM 674 N ASN A 138 1.981 -3.196 0.335 1.00 0.00 N ATOM 675 CA ASN A 138 3.362 -2.639 0.394 1.00 0.00 C ATOM 676 C ASN A 138 3.886 -2.428 -1.028 1.00 0.00 C ATOM 677 O ASN A 138 3.916 -3.340 -1.828 1.00 0.00 O ATOM 678 CB ASN A 138 4.275 -3.618 1.135 1.00 0.00 C ATOM 679 CG ASN A 138 4.089 -3.448 2.644 1.00 0.00 C ATOM 680 OD1 ASN A 138 4.154 -2.348 3.156 1.00 0.00 O ATOM 681 ND2 ASN A 138 3.858 -4.499 3.383 1.00 0.00 N ATOM 0 H ASN A 138 1.781 -3.774 -0.481 1.00 0.00 H new ATOM 0 HA ASN A 138 3.348 -1.685 0.922 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.042 -4.642 0.842 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.315 -3.438 0.864 1.00 0.00 H new ATOM 0 HD21 ASN A 138 3.732 -4.397 4.390 1.00 0.00 H new ATOM 0 HD22 ASN A 138 3.803 -5.423 2.953 1.00 0.00 H new ATOM 688 N VAL A 139 4.296 -1.232 -1.352 1.00 0.00 N ATOM 689 CA VAL A 139 4.812 -0.972 -2.726 1.00 0.00 C ATOM 690 C VAL A 139 5.937 0.066 -2.672 1.00 0.00 C ATOM 691 O VAL A 139 6.251 0.604 -1.628 1.00 0.00 O ATOM 692 CB VAL A 139 3.677 -0.448 -3.606 1.00 0.00 C ATOM 693 CG1 VAL A 139 2.740 -1.600 -3.973 1.00 0.00 C ATOM 694 CG2 VAL A 139 2.893 0.621 -2.842 1.00 0.00 C ATOM 0 H VAL A 139 4.296 -0.426 -0.727 1.00 0.00 H new ATOM 0 HA VAL A 139 5.201 -1.900 -3.145 1.00 0.00 H new ATOM 0 HB VAL A 139 4.094 -0.015 -4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 139 1.931 -1.225 -4.600 1.00 0.00 H new ATOM 0 HG12 VAL A 139 3.297 -2.363 -4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 139 2.323 -2.034 -3.064 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.083 0.996 -3.468 1.00 0.00 H new ATOM 0 HG22 VAL A 139 2.477 0.187 -1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 139 3.559 1.443 -2.580 1.00 0.00 H new ATOM 704 N HIS A 140 6.544 0.348 -3.793 1.00 0.00 N ATOM 705 CA HIS A 140 7.650 1.347 -3.821 1.00 0.00 C ATOM 706 C HIS A 140 7.067 2.753 -3.977 1.00 0.00 C ATOM 707 O HIS A 140 5.872 2.955 -3.882 1.00 0.00 O ATOM 708 CB HIS A 140 8.568 1.055 -5.010 1.00 0.00 C ATOM 709 CG HIS A 140 9.598 0.033 -4.617 1.00 0.00 C ATOM 710 ND1 HIS A 140 9.606 -1.248 -5.146 1.00 0.00 N ATOM 711 CD2 HIS A 140 10.666 0.090 -3.756 1.00 0.00 C ATOM 712 CE1 HIS A 140 10.648 -1.904 -4.602 1.00 0.00 C ATOM 713 NE2 HIS A 140 11.327 -1.134 -3.748 1.00 0.00 N ATOM 0 H HIS A 140 6.320 -0.073 -4.695 1.00 0.00 H new ATOM 0 HA HIS A 140 8.215 1.284 -2.891 1.00 0.00 H new ATOM 0 HB2 HIS A 140 7.982 0.689 -5.853 1.00 0.00 H new ATOM 0 HB3 HIS A 140 9.058 1.972 -5.337 1.00 0.00 H new ATOM 0 HD1 HIS A 140 8.943 -1.625 -5.824 1.00 0.00 H new ATOM 0 HD2 HIS A 140 10.950 0.954 -3.173 1.00 0.00 H new ATOM 0 HE1 HIS A 140 10.904 -2.929 -4.829 1.00 0.00 H new ATOM 720 N ARG A 141 7.903 3.724 -4.226 1.00 0.00 N ATOM 721 CA ARG A 141 7.400 5.115 -4.401 1.00 0.00 C ATOM 722 C ARG A 141 7.128 5.361 -5.885 1.00 0.00 C ATOM 723 O ARG A 141 6.367 6.234 -6.252 1.00 0.00 O ATOM 724 CB ARG A 141 8.455 6.105 -3.903 1.00 0.00 C ATOM 725 CG ARG A 141 8.038 6.655 -2.538 1.00 0.00 C ATOM 726 CD ARG A 141 7.802 8.163 -2.645 1.00 0.00 C ATOM 727 NE ARG A 141 8.942 8.796 -3.367 1.00 0.00 N ATOM 728 CZ ARG A 141 9.849 9.456 -2.703 1.00 0.00 C ATOM 729 NH1 ARG A 141 9.547 10.595 -2.141 1.00 0.00 N ATOM 730 NH2 ARG A 141 11.059 8.979 -2.600 1.00 0.00 N ATOM 0 H ARG A 141 8.913 3.613 -4.316 1.00 0.00 H new ATOM 0 HA ARG A 141 6.481 5.251 -3.830 1.00 0.00 H new ATOM 0 HB2 ARG A 141 9.424 5.612 -3.827 1.00 0.00 H new ATOM 0 HB3 ARG A 141 8.568 6.921 -4.616 1.00 0.00 H new ATOM 0 HG2 ARG A 141 7.130 6.158 -2.196 1.00 0.00 H new ATOM 0 HG3 ARG A 141 8.812 6.449 -1.799 1.00 0.00 H new ATOM 0 HD2 ARG A 141 6.869 8.359 -3.174 1.00 0.00 H new ATOM 0 HD3 ARG A 141 7.702 8.597 -1.650 1.00 0.00 H new ATOM 0 HE ARG A 141 9.012 8.713 -4.381 1.00 0.00 H new ATOM 0 HH11 ARG A 141 8.601 10.968 -2.221 1.00 0.00 H new ATOM 0 HH12 ARG A 141 10.257 11.111 -1.621 1.00 0.00 H new ATOM 0 HH21 ARG A 141 11.296 8.089 -3.039 1.00 0.00 H new ATOM 0 HH22 ARG A 141 11.768 9.496 -2.080 1.00 0.00 H new ATOM 744 N ARG A 142 7.746 4.594 -6.741 1.00 0.00 N ATOM 745 CA ARG A 142 7.529 4.773 -8.205 1.00 0.00 C ATOM 746 C ARG A 142 6.734 3.584 -8.749 1.00 0.00 C ATOM 747 O ARG A 142 6.395 3.533 -9.915 1.00 0.00 O ATOM 748 CB ARG A 142 8.881 4.849 -8.918 1.00 0.00 C ATOM 749 CG ARG A 142 9.879 5.625 -8.054 1.00 0.00 C ATOM 750 CD ARG A 142 11.304 5.339 -8.533 1.00 0.00 C ATOM 751 NE ARG A 142 11.825 6.516 -9.286 1.00 0.00 N ATOM 752 CZ ARG A 142 11.372 6.786 -10.482 1.00 0.00 C ATOM 753 NH1 ARG A 142 10.631 5.918 -11.116 1.00 0.00 N ATOM 754 NH2 ARG A 142 11.664 7.927 -11.045 1.00 0.00 N ATOM 0 H ARG A 142 8.394 3.848 -6.489 1.00 0.00 H new ATOM 0 HA ARG A 142 6.975 5.695 -8.380 1.00 0.00 H new ATOM 0 HB2 ARG A 142 9.257 3.845 -9.112 1.00 0.00 H new ATOM 0 HB3 ARG A 142 8.766 5.338 -9.885 1.00 0.00 H new ATOM 0 HG2 ARG A 142 9.672 6.694 -8.113 1.00 0.00 H new ATOM 0 HG3 ARG A 142 9.771 5.337 -7.008 1.00 0.00 H new ATOM 0 HD2 ARG A 142 11.949 5.126 -7.681 1.00 0.00 H new ATOM 0 HD3 ARG A 142 11.314 4.454 -9.169 1.00 0.00 H new ATOM 0 HE ARG A 142 12.538 7.113 -8.866 1.00 0.00 H new ATOM 0 HH11 ARG A 142 10.404 5.025 -10.678 1.00 0.00 H new ATOM 0 HH12 ARG A 142 10.279 6.133 -12.049 1.00 0.00 H new ATOM 0 HH21 ARG A 142 12.244 8.605 -10.552 1.00 0.00 H new ATOM 0 HH22 ARG A 142 11.312 8.140 -11.978 1.00 0.00 H new ATOM 768 N CYS A 143 6.434 2.625 -7.914 1.00 0.00 N ATOM 769 CA CYS A 143 5.662 1.439 -8.384 1.00 0.00 C ATOM 770 C CYS A 143 4.165 1.710 -8.222 1.00 0.00 C ATOM 771 O CYS A 143 3.335 0.975 -8.718 1.00 0.00 O ATOM 772 CB CYS A 143 6.048 0.216 -7.550 1.00 0.00 C ATOM 773 SG CYS A 143 7.666 -0.397 -8.081 1.00 0.00 S ATOM 0 H CYS A 143 6.690 2.612 -6.927 1.00 0.00 H new ATOM 0 HA CYS A 143 5.888 1.251 -9.434 1.00 0.00 H new ATOM 0 HB2 CYS A 143 6.077 0.479 -6.493 1.00 0.00 H new ATOM 0 HB3 CYS A 143 5.297 -0.566 -7.664 1.00 0.00 H new ATOM 0 HG CYS A 143 7.506 -1.427 -8.858 1.00 0.00 H new ATOM 778 N VAL A 144 3.813 2.758 -7.529 1.00 0.00 N ATOM 779 CA VAL A 144 2.370 3.074 -7.336 1.00 0.00 C ATOM 780 C VAL A 144 1.751 3.478 -8.676 1.00 0.00 C ATOM 781 O VAL A 144 0.563 3.333 -8.891 1.00 0.00 O ATOM 782 CB VAL A 144 2.227 4.226 -6.340 1.00 0.00 C ATOM 783 CG1 VAL A 144 0.755 4.396 -5.963 1.00 0.00 C ATOM 784 CG2 VAL A 144 3.042 3.916 -5.083 1.00 0.00 C ATOM 0 H VAL A 144 4.463 3.409 -7.088 1.00 0.00 H new ATOM 0 HA VAL A 144 1.856 2.194 -6.949 1.00 0.00 H new ATOM 0 HB VAL A 144 2.594 5.146 -6.794 1.00 0.00 H new ATOM 0 HG11 VAL A 144 0.654 5.217 -5.253 1.00 0.00 H new ATOM 0 HG12 VAL A 144 0.173 4.616 -6.858 1.00 0.00 H new ATOM 0 HG13 VAL A 144 0.387 3.476 -5.509 1.00 0.00 H new ATOM 0 HG21 VAL A 144 2.941 4.736 -4.372 1.00 0.00 H new ATOM 0 HG22 VAL A 144 2.675 2.995 -4.629 1.00 0.00 H new ATOM 0 HG23 VAL A 144 4.092 3.795 -5.351 1.00 0.00 H new ATOM 794 N ARG A 145 2.545 3.985 -9.579 1.00 0.00 N ATOM 795 CA ARG A 145 2.000 4.398 -10.903 1.00 0.00 C ATOM 796 C ARG A 145 1.738 3.157 -11.759 1.00 0.00 C ATOM 797 O ARG A 145 1.173 3.239 -12.831 1.00 0.00 O ATOM 798 CB ARG A 145 3.013 5.301 -11.611 1.00 0.00 C ATOM 799 CG ARG A 145 2.294 6.146 -12.665 1.00 0.00 C ATOM 800 CD ARG A 145 2.285 7.611 -12.227 1.00 0.00 C ATOM 801 NE ARG A 145 1.542 8.425 -13.229 1.00 0.00 N ATOM 802 CZ ARG A 145 0.871 9.477 -12.847 1.00 0.00 C ATOM 803 NH1 ARG A 145 -0.283 9.335 -12.255 1.00 0.00 N ATOM 804 NH2 ARG A 145 1.356 10.671 -13.057 1.00 0.00 N ATOM 0 H ARG A 145 3.547 4.131 -9.457 1.00 0.00 H new ATOM 0 HA ARG A 145 1.066 4.941 -10.757 1.00 0.00 H new ATOM 0 HB2 ARG A 145 3.508 5.948 -10.887 1.00 0.00 H new ATOM 0 HB3 ARG A 145 3.789 4.697 -12.081 1.00 0.00 H new ATOM 0 HG2 ARG A 145 2.794 6.047 -13.629 1.00 0.00 H new ATOM 0 HG3 ARG A 145 1.273 5.789 -12.798 1.00 0.00 H new ATOM 0 HD2 ARG A 145 1.817 7.706 -11.247 1.00 0.00 H new ATOM 0 HD3 ARG A 145 3.306 7.979 -12.129 1.00 0.00 H new ATOM 0 HE ARG A 145 1.558 8.160 -14.214 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -0.661 8.402 -12.091 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -0.808 10.157 -11.956 1.00 0.00 H new ATOM 0 HH21 ARG A 145 2.259 10.781 -13.519 1.00 0.00 H new ATOM 0 HH22 ARG A 145 0.832 11.494 -12.759 1.00 0.00 H new ATOM 818 N SER A 146 2.145 2.006 -11.294 1.00 0.00 N ATOM 819 CA SER A 146 1.918 0.763 -12.085 1.00 0.00 C ATOM 820 C SER A 146 0.663 0.052 -11.573 1.00 0.00 C ATOM 821 O SER A 146 0.154 -0.854 -12.200 1.00 0.00 O ATOM 822 CB SER A 146 3.125 -0.162 -11.935 1.00 0.00 C ATOM 823 OG SER A 146 4.317 0.610 -11.967 1.00 0.00 O ATOM 0 H SER A 146 2.624 1.873 -10.403 1.00 0.00 H new ATOM 0 HA SER A 146 1.785 1.020 -13.136 1.00 0.00 H new ATOM 0 HB2 SER A 146 3.061 -0.713 -10.997 1.00 0.00 H new ATOM 0 HB3 SER A 146 3.134 -0.899 -12.738 1.00 0.00 H new ATOM 0 HG SER A 146 5.092 0.019 -11.869 1.00 0.00 H new ATOM 829 N VAL A 147 0.162 0.455 -10.438 1.00 0.00 N ATOM 830 CA VAL A 147 -1.059 -0.202 -9.891 1.00 0.00 C ATOM 831 C VAL A 147 -2.305 0.535 -10.398 1.00 0.00 C ATOM 832 O VAL A 147 -2.366 1.747 -10.339 1.00 0.00 O ATOM 833 CB VAL A 147 -1.026 -0.147 -8.362 1.00 0.00 C ATOM 834 CG1 VAL A 147 -1.959 -1.215 -7.790 1.00 0.00 C ATOM 835 CG2 VAL A 147 0.401 -0.404 -7.873 1.00 0.00 C ATOM 0 H VAL A 147 0.544 1.209 -9.867 1.00 0.00 H new ATOM 0 HA VAL A 147 -1.090 -1.241 -10.218 1.00 0.00 H new ATOM 0 HB VAL A 147 -1.354 0.838 -8.029 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -1.934 -1.174 -6.701 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -2.976 -1.033 -8.137 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -1.633 -2.200 -8.124 1.00 0.00 H new ATOM 0 HG21 VAL A 147 0.425 -0.365 -6.784 1.00 0.00 H new ATOM 0 HG22 VAL A 147 0.729 -1.388 -8.208 1.00 0.00 H new ATOM 0 HG23 VAL A 147 1.067 0.358 -8.278 1.00 0.00 H new ATOM 845 N PRO A 148 -3.265 -0.217 -10.878 1.00 0.00 N ATOM 846 CA PRO A 148 -4.523 0.345 -11.400 1.00 0.00 C ATOM 847 C PRO A 148 -5.456 0.718 -10.245 1.00 0.00 C ATOM 848 O PRO A 148 -6.585 1.118 -10.450 1.00 0.00 O ATOM 849 CB PRO A 148 -5.111 -0.800 -12.229 1.00 0.00 C ATOM 850 CG PRO A 148 -4.477 -2.102 -11.686 1.00 0.00 C ATOM 851 CD PRO A 148 -3.188 -1.691 -10.949 1.00 0.00 C ATOM 0 HA PRO A 148 -4.379 1.255 -11.983 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -6.197 -0.829 -12.137 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -4.884 -0.670 -13.287 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -5.163 -2.614 -11.011 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -4.255 -2.793 -12.499 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -3.139 -2.136 -9.955 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -2.299 -2.018 -11.489 1.00 0.00 H new ATOM 859 N SER A 149 -4.994 0.590 -9.032 1.00 0.00 N ATOM 860 CA SER A 149 -5.853 0.935 -7.864 1.00 0.00 C ATOM 861 C SER A 149 -6.913 -0.153 -7.675 1.00 0.00 C ATOM 862 O SER A 149 -8.013 -0.056 -8.181 1.00 0.00 O ATOM 863 CB SER A 149 -6.540 2.278 -8.116 1.00 0.00 C ATOM 864 OG SER A 149 -6.634 2.992 -6.891 1.00 0.00 O ATOM 0 H SER A 149 -4.057 0.261 -8.799 1.00 0.00 H new ATOM 0 HA SER A 149 -5.238 1.005 -6.967 1.00 0.00 H new ATOM 0 HB2 SER A 149 -5.975 2.858 -8.846 1.00 0.00 H new ATOM 0 HB3 SER A 149 -7.534 2.119 -8.535 1.00 0.00 H new ATOM 0 HG SER A 149 -7.072 3.854 -7.048 1.00 0.00 H new ATOM 870 N LEU A 150 -6.589 -1.188 -6.950 1.00 0.00 N ATOM 871 CA LEU A 150 -7.577 -2.282 -6.729 1.00 0.00 C ATOM 872 C LEU A 150 -7.698 -2.565 -5.230 1.00 0.00 C ATOM 873 O LEU A 150 -7.508 -3.678 -4.782 1.00 0.00 O ATOM 874 CB LEU A 150 -7.108 -3.547 -7.450 1.00 0.00 C ATOM 875 CG LEU A 150 -5.629 -3.788 -7.147 1.00 0.00 C ATOM 876 CD1 LEU A 150 -5.301 -5.268 -7.344 1.00 0.00 C ATOM 877 CD2 LEU A 150 -4.771 -2.946 -8.095 1.00 0.00 C ATOM 0 H LEU A 150 -5.683 -1.324 -6.501 1.00 0.00 H new ATOM 0 HA LEU A 150 -8.548 -1.979 -7.121 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -7.700 -4.403 -7.127 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -7.258 -3.443 -8.525 1.00 0.00 H new ATOM 0 HG LEU A 150 -5.419 -3.504 -6.116 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -4.246 -5.439 -7.128 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -5.912 -5.869 -6.670 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -5.511 -5.553 -8.375 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -3.716 -3.117 -7.880 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -4.982 -3.230 -9.126 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -5.003 -1.890 -7.955 1.00 0.00 H new ATOM 889 N CYS A 151 -8.010 -1.566 -4.451 1.00 0.00 N ATOM 890 CA CYS A 151 -8.141 -1.780 -2.982 1.00 0.00 C ATOM 891 C CYS A 151 -9.601 -2.083 -2.638 1.00 0.00 C ATOM 892 O CYS A 151 -10.314 -1.247 -2.122 1.00 0.00 O ATOM 893 CB CYS A 151 -7.694 -0.517 -2.241 1.00 0.00 C ATOM 894 SG CYS A 151 -7.308 -0.931 -0.522 1.00 0.00 S ATOM 0 H CYS A 151 -8.180 -0.611 -4.768 1.00 0.00 H new ATOM 0 HA CYS A 151 -7.515 -2.620 -2.680 1.00 0.00 H new ATOM 0 HB2 CYS A 151 -6.819 -0.087 -2.728 1.00 0.00 H new ATOM 0 HB3 CYS A 151 -8.481 0.236 -2.277 1.00 0.00 H new ATOM 0 HG CYS A 151 -6.429 -1.888 -0.493 1.00 0.00 H new