USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=21 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 115 CYS SG : rot 119:sc= 1.42 USER MOD Set 1.2: A 117 HIS :FLIP no HD1:sc= 0.122 F(o=-23,f=-21) USER MOD Set 1.3: A 118 CYS SG : rot -62:sc= -5.4! USER MOD Set 1.4: A 120 SER OG : rot 91:sc= 0.118 USER MOD Set 1.5: A 140 HIS : no HE2:sc= -15.8! C(o=-21!,f=-30!) USER MOD Set 1.6: A 143 CYS SG : rot -97:sc= -1.63! USER MOD Set 2.1: A 108 SER OG : rot -98:sc= 0.287 USER MOD Set 2.2: A 127 HIS : no HD1:sc= -3.41! C(o=-3.1!,f=-6.3!) USER MOD Set 3.1: A 107 HIS : no HD1:sc= -3.51! C(o=-25!,f=-24!) USER MOD Set 3.2: A 109 TYR OH : rot -5:sc= -0.0818 USER MOD Set 3.3: A 113 THR OG1 : rot 180:sc= 0 USER MOD Set 3.4: A 128 GLN : amide:sc= -21! C(o=-25!,f=-30!) USER MOD Set 4.1: A 102 HIS : no HE2:sc= -3.8! C(o=-4.7!,f=-11!) USER MOD Set 4.2: A 132 CYS SG : rot -8:sc= 1.24 USER MOD Set 4.3: A 135 CYS SG : rot -61:sc= -0.309! USER MOD Set 4.4: A 151 CYS SG : rot 51:sc= -1.81! 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 -57:sc= 0.0653! USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 MET CE :methyl 175:sc= -8.95! (180deg=-9.28!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot -120:sc= -0.243 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= -0.166 X(o=-0.17,f=0) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 149 SER OG : rot -68:sc= 0.994 USER MOD ----------------------------------------------------------------- ATOM 132 N HIS A 102 -5.712 3.137 -2.992 1.00 0.00 N ATOM 133 CA HIS A 102 -4.992 2.584 -1.810 1.00 0.00 C ATOM 134 C HIS A 102 -4.602 3.729 -0.875 1.00 0.00 C ATOM 135 O HIS A 102 -4.208 4.792 -1.311 1.00 0.00 O ATOM 136 CB HIS A 102 -3.716 1.869 -2.263 1.00 0.00 C ATOM 137 CG HIS A 102 -4.058 0.728 -3.180 1.00 0.00 C ATOM 138 ND1 HIS A 102 -4.574 -0.471 -2.712 1.00 0.00 N ATOM 139 CD2 HIS A 102 -3.943 0.582 -4.539 1.00 0.00 C ATOM 140 CE1 HIS A 102 -4.747 -1.280 -3.774 1.00 0.00 C ATOM 141 NE2 HIS A 102 -4.379 -0.686 -4.914 1.00 0.00 N ATOM 0 HA HIS A 102 -5.645 1.879 -1.295 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -3.059 2.572 -2.775 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -3.171 1.497 -1.395 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -4.784 -0.699 -1.740 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -3.571 1.337 -5.216 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -5.136 -2.286 -3.713 1.00 0.00 H new ATOM 148 N LYS A 103 -4.690 3.517 0.408 1.00 0.00 N ATOM 149 CA LYS A 103 -4.302 4.590 1.364 1.00 0.00 C ATOM 150 C LYS A 103 -2.812 4.442 1.671 1.00 0.00 C ATOM 151 O LYS A 103 -2.390 4.491 2.809 1.00 0.00 O ATOM 152 CB LYS A 103 -5.112 4.448 2.654 1.00 0.00 C ATOM 153 CG LYS A 103 -6.304 5.407 2.615 1.00 0.00 C ATOM 154 CD LYS A 103 -7.534 4.719 3.208 1.00 0.00 C ATOM 155 CE LYS A 103 -8.043 5.525 4.405 1.00 0.00 C ATOM 156 NZ LYS A 103 -8.515 4.592 5.467 1.00 0.00 N ATOM 0 H LYS A 103 -5.013 2.649 0.835 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.501 5.570 0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.461 3.421 2.766 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.483 4.667 3.517 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.074 6.312 3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.505 5.712 1.588 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.316 4.635 2.453 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.282 3.705 3.519 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.248 6.162 4.793 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -8.856 6.182 4.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.861 5.139 6.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -9.286 4.002 5.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.728 3.983 5.769 1.00 0.00 H new ATOM 170 N PHE A 104 -2.018 4.249 0.650 1.00 0.00 N ATOM 171 CA PHE A 104 -0.551 4.080 0.848 1.00 0.00 C ATOM 172 C PHE A 104 -0.052 5.045 1.926 1.00 0.00 C ATOM 173 O PHE A 104 -0.396 6.210 1.942 1.00 0.00 O ATOM 174 CB PHE A 104 0.174 4.375 -0.468 1.00 0.00 C ATOM 175 CG PHE A 104 0.030 3.196 -1.401 1.00 0.00 C ATOM 176 CD1 PHE A 104 0.561 1.950 -1.042 1.00 0.00 C ATOM 177 CD2 PHE A 104 -0.630 3.349 -2.629 1.00 0.00 C ATOM 178 CE1 PHE A 104 0.432 0.857 -1.909 1.00 0.00 C ATOM 179 CE2 PHE A 104 -0.759 2.256 -3.495 1.00 0.00 C ATOM 180 CZ PHE A 104 -0.227 1.010 -3.136 1.00 0.00 C ATOM 0 H PHE A 104 -2.328 4.201 -0.321 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.349 3.056 1.163 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.241 5.271 -0.931 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.229 4.574 -0.277 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.070 1.832 -0.097 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -1.039 4.309 -2.907 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.841 -0.103 -1.632 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.269 2.373 -4.440 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.325 0.168 -3.805 1.00 0.00 H new ATOM 190 N ARG A 105 0.764 4.565 2.825 1.00 0.00 N ATOM 191 CA ARG A 105 1.295 5.446 3.900 1.00 0.00 C ATOM 192 C ARG A 105 2.750 5.068 4.180 1.00 0.00 C ATOM 193 O ARG A 105 3.030 4.085 4.837 1.00 0.00 O ATOM 194 CB ARG A 105 0.463 5.258 5.171 1.00 0.00 C ATOM 195 CG ARG A 105 0.487 6.548 5.993 1.00 0.00 C ATOM 196 CD ARG A 105 -0.946 7.034 6.224 1.00 0.00 C ATOM 197 NE ARG A 105 -1.133 7.364 7.665 1.00 0.00 N ATOM 198 CZ ARG A 105 -2.039 6.740 8.366 1.00 0.00 C ATOM 199 NH1 ARG A 105 -2.089 5.436 8.355 1.00 0.00 N ATOM 200 NH2 ARG A 105 -2.896 7.420 9.079 1.00 0.00 N ATOM 0 H ARG A 105 1.086 3.598 2.860 1.00 0.00 H new ATOM 0 HA ARG A 105 1.240 6.488 3.585 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -0.563 4.999 4.911 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.861 4.432 5.760 1.00 0.00 H new ATOM 0 HG2 ARG A 105 0.981 6.373 6.949 1.00 0.00 H new ATOM 0 HG3 ARG A 105 1.062 7.313 5.472 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -1.147 7.912 5.610 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.656 6.264 5.921 1.00 0.00 H new ATOM 0 HE ARG A 105 -0.552 8.078 8.104 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.420 4.905 7.798 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -2.797 4.948 8.903 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.857 8.439 9.088 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -3.604 6.932 9.627 1.00 0.00 H new ATOM 214 N LEU A 106 3.682 5.837 3.684 1.00 0.00 N ATOM 215 CA LEU A 106 5.112 5.511 3.922 1.00 0.00 C ATOM 216 C LEU A 106 5.360 5.404 5.428 1.00 0.00 C ATOM 217 O LEU A 106 5.094 6.320 6.182 1.00 0.00 O ATOM 218 CB LEU A 106 5.998 6.606 3.319 1.00 0.00 C ATOM 219 CG LEU A 106 5.942 7.860 4.190 1.00 0.00 C ATOM 220 CD1 LEU A 106 6.774 8.968 3.542 1.00 0.00 C ATOM 221 CD2 LEU A 106 4.494 8.328 4.326 1.00 0.00 C ATOM 0 H LEU A 106 3.513 6.674 3.126 1.00 0.00 H new ATOM 0 HA LEU A 106 5.356 4.560 3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.026 6.252 3.242 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.664 6.840 2.308 1.00 0.00 H new ATOM 0 HG LEU A 106 6.343 7.631 5.177 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.735 9.863 4.163 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.808 8.638 3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.373 9.194 2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.458 9.223 4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.091 8.555 3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.899 7.540 4.788 1.00 0.00 H new ATOM 233 N HIS A 107 5.858 4.285 5.871 1.00 0.00 N ATOM 234 CA HIS A 107 6.119 4.103 7.327 1.00 0.00 C ATOM 235 C HIS A 107 7.608 4.294 7.607 1.00 0.00 C ATOM 236 O HIS A 107 8.367 4.695 6.748 1.00 0.00 O ATOM 237 CB HIS A 107 5.702 2.692 7.740 1.00 0.00 C ATOM 238 CG HIS A 107 4.789 2.762 8.934 1.00 0.00 C ATOM 239 ND1 HIS A 107 3.448 2.418 8.860 1.00 0.00 N ATOM 240 CD2 HIS A 107 5.009 3.131 10.238 1.00 0.00 C ATOM 241 CE1 HIS A 107 2.917 2.585 10.085 1.00 0.00 C ATOM 242 NE2 HIS A 107 3.826 3.019 10.963 1.00 0.00 N ATOM 0 H HIS A 107 6.097 3.484 5.286 1.00 0.00 H new ATOM 0 HA HIS A 107 5.547 4.837 7.895 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.196 2.195 6.912 1.00 0.00 H new ATOM 0 HB3 HIS A 107 6.584 2.097 7.979 1.00 0.00 H new ATOM 0 HD2 HIS A 107 5.956 3.459 10.640 1.00 0.00 H new ATOM 0 HE1 HIS A 107 1.883 2.392 10.329 1.00 0.00 H new ATOM 0 HE2 HIS A 107 3.684 3.224 11.952 1.00 0.00 H new ATOM 250 N SER A 108 8.029 4.010 8.806 1.00 0.00 N ATOM 251 CA SER A 108 9.471 4.174 9.148 1.00 0.00 C ATOM 252 C SER A 108 9.922 3.038 10.072 1.00 0.00 C ATOM 253 O SER A 108 10.171 3.243 11.243 1.00 0.00 O ATOM 254 CB SER A 108 9.673 5.513 9.856 1.00 0.00 C ATOM 255 OG SER A 108 8.821 6.488 9.269 1.00 0.00 O ATOM 0 H SER A 108 7.438 3.671 9.565 1.00 0.00 H new ATOM 0 HA SER A 108 10.062 4.147 8.233 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.452 5.413 10.919 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.714 5.827 9.775 1.00 0.00 H new ATOM 0 HG SER A 108 9.328 7.016 8.618 1.00 0.00 H new ATOM 261 N TYR A 109 10.045 1.843 9.556 1.00 0.00 N ATOM 262 CA TYR A 109 10.495 0.707 10.414 1.00 0.00 C ATOM 263 C TYR A 109 12.022 0.714 10.491 1.00 0.00 C ATOM 264 O TYR A 109 12.677 1.565 9.923 1.00 0.00 O ATOM 265 CB TYR A 109 10.036 -0.624 9.810 1.00 0.00 C ATOM 266 CG TYR A 109 8.648 -0.483 9.238 1.00 0.00 C ATOM 267 CD1 TYR A 109 7.652 0.185 9.964 1.00 0.00 C ATOM 268 CD2 TYR A 109 8.353 -1.026 7.981 1.00 0.00 C ATOM 269 CE1 TYR A 109 6.363 0.311 9.430 1.00 0.00 C ATOM 270 CE2 TYR A 109 7.064 -0.902 7.448 1.00 0.00 C ATOM 271 CZ TYR A 109 6.068 -0.233 8.172 1.00 0.00 C ATOM 272 OH TYR A 109 4.797 -0.110 7.648 1.00 0.00 O ATOM 0 H TYR A 109 9.854 1.605 8.583 1.00 0.00 H new ATOM 0 HA TYR A 109 10.064 0.819 11.409 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.729 -0.936 9.029 1.00 0.00 H new ATOM 0 HB3 TYR A 109 10.046 -1.401 10.574 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.878 0.602 10.934 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.121 -1.541 7.422 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.596 0.828 9.988 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.838 -1.322 6.479 1.00 0.00 H new ATOM 0 HH TYR A 109 4.209 0.308 8.311 1.00 0.00 H new ATOM 282 N SER A 110 12.598 -0.236 11.176 1.00 0.00 N ATOM 283 CA SER A 110 14.084 -0.284 11.270 1.00 0.00 C ATOM 284 C SER A 110 14.660 -0.449 9.864 1.00 0.00 C ATOM 285 O SER A 110 15.830 -0.225 9.625 1.00 0.00 O ATOM 286 CB SER A 110 14.504 -1.472 12.136 1.00 0.00 C ATOM 287 OG SER A 110 14.540 -1.069 13.499 1.00 0.00 O ATOM 0 H SER A 110 12.106 -0.978 11.673 1.00 0.00 H new ATOM 0 HA SER A 110 14.457 0.636 11.720 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.803 -2.297 12.007 1.00 0.00 H new ATOM 0 HB3 SER A 110 15.484 -1.835 11.826 1.00 0.00 H new ATOM 0 HG SER A 110 14.807 -1.828 14.058 1.00 0.00 H new ATOM 293 N SER A 111 13.836 -0.841 8.930 1.00 0.00 N ATOM 294 CA SER A 111 14.313 -1.026 7.533 1.00 0.00 C ATOM 295 C SER A 111 13.099 -1.118 6.604 1.00 0.00 C ATOM 296 O SER A 111 11.988 -1.306 7.059 1.00 0.00 O ATOM 297 CB SER A 111 15.134 -2.312 7.440 1.00 0.00 C ATOM 298 OG SER A 111 15.795 -2.537 8.678 1.00 0.00 O ATOM 0 H SER A 111 12.847 -1.042 9.078 1.00 0.00 H new ATOM 0 HA SER A 111 14.938 -0.183 7.238 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.485 -3.155 7.202 1.00 0.00 H new ATOM 0 HB3 SER A 111 15.863 -2.234 6.634 1.00 0.00 H new ATOM 0 HG SER A 111 16.358 -1.764 8.893 1.00 0.00 H new ATOM 304 N PRO A 112 13.345 -0.979 5.328 1.00 0.00 N ATOM 305 CA PRO A 112 12.285 -1.036 4.308 1.00 0.00 C ATOM 306 C PRO A 112 11.855 -2.481 4.046 1.00 0.00 C ATOM 307 O PRO A 112 12.651 -3.398 4.093 1.00 0.00 O ATOM 308 CB PRO A 112 12.944 -0.419 3.070 1.00 0.00 C ATOM 309 CG PRO A 112 14.471 -0.557 3.274 1.00 0.00 C ATOM 310 CD PRO A 112 14.700 -0.754 4.784 1.00 0.00 C ATOM 0 HA PRO A 112 11.378 -0.511 4.607 1.00 0.00 H new ATOM 0 HB2 PRO A 112 12.625 -0.933 2.163 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.660 0.628 2.960 1.00 0.00 H new ATOM 0 HG2 PRO A 112 14.862 -1.404 2.710 1.00 0.00 H new ATOM 0 HG3 PRO A 112 14.991 0.332 2.916 1.00 0.00 H new ATOM 0 HD2 PRO A 112 15.354 -1.603 4.980 1.00 0.00 H new ATOM 0 HD3 PRO A 112 15.170 0.121 5.233 1.00 0.00 H new ATOM 318 N THR A 113 10.596 -2.685 3.770 1.00 0.00 N ATOM 319 CA THR A 113 10.099 -4.063 3.502 1.00 0.00 C ATOM 320 C THR A 113 10.223 -4.356 2.010 1.00 0.00 C ATOM 321 O THR A 113 10.644 -3.523 1.238 1.00 0.00 O ATOM 322 CB THR A 113 8.632 -4.166 3.925 1.00 0.00 C ATOM 323 OG1 THR A 113 8.386 -3.270 4.999 1.00 0.00 O ATOM 324 CG2 THR A 113 8.326 -5.596 4.373 1.00 0.00 C ATOM 0 H THR A 113 9.888 -1.953 3.719 1.00 0.00 H new ATOM 0 HA THR A 113 10.688 -4.785 4.067 1.00 0.00 H new ATOM 0 HB THR A 113 7.993 -3.907 3.081 1.00 0.00 H new ATOM 0 HG1 THR A 113 7.446 -3.334 5.270 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.281 -5.667 4.674 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.514 -6.284 3.548 1.00 0.00 H new ATOM 0 HG23 THR A 113 8.965 -5.858 5.216 1.00 0.00 H new ATOM 332 N PHE A 114 9.864 -5.537 1.601 1.00 0.00 N ATOM 333 CA PHE A 114 9.969 -5.883 0.157 1.00 0.00 C ATOM 334 C PHE A 114 8.789 -5.277 -0.605 1.00 0.00 C ATOM 335 O PHE A 114 7.824 -4.825 -0.022 1.00 0.00 O ATOM 336 CB PHE A 114 9.952 -7.404 -0.006 1.00 0.00 C ATOM 337 CG PHE A 114 11.126 -8.007 0.726 1.00 0.00 C ATOM 338 CD1 PHE A 114 11.041 -8.256 2.103 1.00 0.00 C ATOM 339 CD2 PHE A 114 12.301 -8.319 0.028 1.00 0.00 C ATOM 340 CE1 PHE A 114 12.132 -8.817 2.781 1.00 0.00 C ATOM 341 CE2 PHE A 114 13.391 -8.880 0.707 1.00 0.00 C ATOM 342 CZ PHE A 114 13.306 -9.128 2.083 1.00 0.00 C ATOM 0 H PHE A 114 9.503 -6.278 2.202 1.00 0.00 H new ATOM 0 HA PHE A 114 10.901 -5.483 -0.242 1.00 0.00 H new ATOM 0 HB2 PHE A 114 9.019 -7.811 0.385 1.00 0.00 H new ATOM 0 HB3 PHE A 114 9.996 -7.667 -1.063 1.00 0.00 H new ATOM 0 HD1 PHE A 114 10.136 -8.016 2.641 1.00 0.00 H new ATOM 0 HD2 PHE A 114 12.366 -8.127 -1.033 1.00 0.00 H new ATOM 0 HE1 PHE A 114 12.067 -9.010 3.842 1.00 0.00 H new ATOM 0 HE2 PHE A 114 14.296 -9.121 0.170 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.146 -9.559 2.606 1.00 0.00 H new ATOM 352 N CYS A 115 8.863 -5.263 -1.908 1.00 0.00 N ATOM 353 CA CYS A 115 7.754 -4.685 -2.718 1.00 0.00 C ATOM 354 C CYS A 115 6.847 -5.812 -3.214 1.00 0.00 C ATOM 355 O CYS A 115 7.295 -6.901 -3.512 1.00 0.00 O ATOM 356 CB CYS A 115 8.352 -3.925 -3.904 1.00 0.00 C ATOM 357 SG CYS A 115 7.038 -3.224 -4.927 1.00 0.00 S ATOM 0 H CYS A 115 9.647 -5.629 -2.448 1.00 0.00 H new ATOM 0 HA CYS A 115 7.162 -3.999 -2.111 1.00 0.00 H new ATOM 0 HB2 CYS A 115 9.005 -3.130 -3.543 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.968 -4.597 -4.502 1.00 0.00 H new ATOM 0 HG CYS A 115 7.151 -1.929 -4.952 1.00 0.00 H new ATOM 362 N ASP A 116 5.569 -5.561 -3.294 1.00 0.00 N ATOM 363 CA ASP A 116 4.622 -6.619 -3.755 1.00 0.00 C ATOM 364 C ASP A 116 4.430 -6.528 -5.270 1.00 0.00 C ATOM 365 O ASP A 116 3.999 -7.466 -5.909 1.00 0.00 O ATOM 366 CB ASP A 116 3.270 -6.425 -3.063 1.00 0.00 C ATOM 367 CG ASP A 116 2.766 -5.004 -3.316 1.00 0.00 C ATOM 368 OD1 ASP A 116 2.985 -4.506 -4.408 1.00 0.00 O ATOM 369 OD2 ASP A 116 2.170 -4.438 -2.416 1.00 0.00 O ATOM 0 H ASP A 116 5.138 -4.667 -3.060 1.00 0.00 H new ATOM 0 HA ASP A 116 5.031 -7.598 -3.504 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.549 -7.150 -3.440 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.369 -6.602 -1.992 1.00 0.00 H new ATOM 374 N HIS A 117 4.738 -5.403 -5.847 1.00 0.00 N ATOM 375 CA HIS A 117 4.565 -5.245 -7.318 1.00 0.00 C ATOM 376 C HIS A 117 5.838 -5.687 -8.046 1.00 0.00 C ATOM 377 O HIS A 117 5.790 -6.120 -9.180 1.00 0.00 O ATOM 378 CB HIS A 117 4.278 -3.777 -7.638 1.00 0.00 C ATOM 379 CG HIS A 117 4.334 -3.569 -9.127 1.00 0.00 C ATOM 380 ND1 HIS A 117 5.251 -2.940 -9.931 1.00 0.00 N flip ATOM 381 CD2 HIS A 117 3.345 -4.041 -9.976 1.00 0.00 C flip ATOM 382 CE1 HIS A 117 4.842 -3.018 -11.259 1.00 0.00 C flip ATOM 383 NE2 HIS A 117 3.688 -3.692 -11.230 1.00 0.00 N flip ATOM 0 H HIS A 117 5.103 -4.583 -5.363 1.00 0.00 H new ATOM 0 HA HIS A 117 3.732 -5.865 -7.650 1.00 0.00 H new ATOM 0 HB2 HIS A 117 3.296 -3.496 -7.257 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.007 -3.136 -7.143 1.00 0.00 H new ATOM 0 HD2 HIS A 117 2.461 -4.589 -9.685 1.00 0.00 H new ATOM 0 HE1 HIS A 117 5.348 -2.620 -12.126 1.00 0.00 H new ATOM 0 HE2 HIS A 117 3.135 -3.915 -12.057 1.00 0.00 H new ATOM 391 N CYS A 118 6.978 -5.580 -7.415 1.00 0.00 N ATOM 392 CA CYS A 118 8.234 -5.999 -8.101 1.00 0.00 C ATOM 393 C CYS A 118 9.019 -6.969 -7.213 1.00 0.00 C ATOM 394 O CYS A 118 10.095 -7.409 -7.562 1.00 0.00 O ATOM 395 CB CYS A 118 9.090 -4.766 -8.398 1.00 0.00 C ATOM 396 SG CYS A 118 9.520 -3.943 -6.847 1.00 0.00 S ATOM 0 H CYS A 118 7.093 -5.225 -6.466 1.00 0.00 H new ATOM 0 HA CYS A 118 7.980 -6.500 -9.035 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.995 -5.058 -8.930 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.546 -4.080 -9.047 1.00 0.00 H new ATOM 0 HG CYS A 118 8.436 -3.537 -6.256 1.00 0.00 H new ATOM 401 N GLY A 119 8.491 -7.311 -6.070 1.00 0.00 N ATOM 402 CA GLY A 119 9.211 -8.257 -5.170 1.00 0.00 C ATOM 403 C GLY A 119 10.657 -7.794 -4.985 1.00 0.00 C ATOM 404 O GLY A 119 11.593 -8.525 -5.247 1.00 0.00 O ATOM 0 H GLY A 119 7.593 -6.977 -5.720 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.709 -8.308 -4.204 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.192 -9.262 -5.593 1.00 0.00 H new ATOM 408 N SER A 120 10.847 -6.585 -4.535 1.00 0.00 N ATOM 409 CA SER A 120 12.232 -6.072 -4.329 1.00 0.00 C ATOM 410 C SER A 120 12.271 -5.203 -3.070 1.00 0.00 C ATOM 411 O SER A 120 11.348 -4.468 -2.783 1.00 0.00 O ATOM 412 CB SER A 120 12.652 -5.236 -5.538 1.00 0.00 C ATOM 413 OG SER A 120 12.441 -5.988 -6.725 1.00 0.00 O ATOM 0 H SER A 120 10.102 -5.928 -4.300 1.00 0.00 H new ATOM 0 HA SER A 120 12.917 -6.912 -4.213 1.00 0.00 H new ATOM 0 HB2 SER A 120 12.076 -4.311 -5.573 1.00 0.00 H new ATOM 0 HB3 SER A 120 13.702 -4.955 -5.453 1.00 0.00 H new ATOM 0 HG SER A 120 11.542 -5.807 -7.071 1.00 0.00 H new ATOM 419 N LEU A 121 13.332 -5.282 -2.313 1.00 0.00 N ATOM 420 CA LEU A 121 13.423 -4.460 -1.073 1.00 0.00 C ATOM 421 C LEU A 121 13.359 -2.973 -1.416 1.00 0.00 C ATOM 422 O LEU A 121 13.977 -2.509 -2.354 1.00 0.00 O ATOM 423 CB LEU A 121 14.738 -4.752 -0.349 1.00 0.00 C ATOM 424 CG LEU A 121 14.522 -5.872 0.669 1.00 0.00 C ATOM 425 CD1 LEU A 121 15.875 -6.439 1.100 1.00 0.00 C ATOM 426 CD2 LEU A 121 13.792 -5.307 1.890 1.00 0.00 C ATOM 0 H LEU A 121 14.138 -5.879 -2.499 1.00 0.00 H new ATOM 0 HA LEU A 121 12.584 -4.716 -0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.504 -5.042 -1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 121 15.096 -3.853 0.154 1.00 0.00 H new ATOM 0 HG LEU A 121 13.925 -6.666 0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 121 15.720 -7.237 1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 121 16.397 -6.836 0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 121 16.473 -5.648 1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 121 13.635 -6.101 2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 121 14.392 -4.515 2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 121 12.828 -4.901 1.582 1.00 0.00 H new ATOM 438 N LEU A 122 12.623 -2.225 -0.646 1.00 0.00 N ATOM 439 CA LEU A 122 12.514 -0.761 -0.895 1.00 0.00 C ATOM 440 C LEU A 122 13.705 -0.066 -0.229 1.00 0.00 C ATOM 441 O LEU A 122 14.259 -0.567 0.726 1.00 0.00 O ATOM 442 CB LEU A 122 11.206 -0.242 -0.288 1.00 0.00 C ATOM 443 CG LEU A 122 10.064 -1.212 -0.613 1.00 0.00 C ATOM 444 CD1 LEU A 122 9.024 -1.177 0.508 1.00 0.00 C ATOM 445 CD2 LEU A 122 9.401 -0.796 -1.927 1.00 0.00 C ATOM 0 H LEU A 122 12.088 -2.567 0.152 1.00 0.00 H new ATOM 0 HA LEU A 122 12.517 -0.556 -1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 122 11.311 -0.138 0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 122 10.978 0.748 -0.683 1.00 0.00 H new ATOM 0 HG LEU A 122 10.465 -2.221 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.214 -1.867 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 122 9.492 -1.471 1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 122 8.625 -0.167 0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.589 -1.485 -2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 122 9.003 0.214 -1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 122 10.138 -0.820 -2.730 1.00 0.00 H new ATOM 457 N TYR A 123 14.109 1.076 -0.717 1.00 0.00 N ATOM 458 CA TYR A 123 15.273 1.773 -0.090 1.00 0.00 C ATOM 459 C TYR A 123 15.387 3.201 -0.631 1.00 0.00 C ATOM 460 O TYR A 123 15.304 3.436 -1.820 1.00 0.00 O ATOM 461 CB TYR A 123 16.561 1.010 -0.413 1.00 0.00 C ATOM 462 CG TYR A 123 16.772 -0.087 0.604 1.00 0.00 C ATOM 463 CD1 TYR A 123 17.077 0.237 1.933 1.00 0.00 C ATOM 464 CD2 TYR A 123 16.665 -1.430 0.218 1.00 0.00 C ATOM 465 CE1 TYR A 123 17.272 -0.781 2.876 1.00 0.00 C ATOM 466 CE2 TYR A 123 16.862 -2.449 1.160 1.00 0.00 C ATOM 467 CZ TYR A 123 17.165 -2.125 2.489 1.00 0.00 C ATOM 468 OH TYR A 123 17.358 -3.128 3.417 1.00 0.00 O ATOM 0 H TYR A 123 13.690 1.554 -1.515 1.00 0.00 H new ATOM 0 HA TYR A 123 15.123 1.808 0.989 1.00 0.00 H new ATOM 0 HB2 TYR A 123 16.501 0.584 -1.415 1.00 0.00 H new ATOM 0 HB3 TYR A 123 17.411 1.693 -0.407 1.00 0.00 H new ATOM 0 HD1 TYR A 123 17.162 1.272 2.230 1.00 0.00 H new ATOM 0 HD2 TYR A 123 16.431 -1.680 -0.806 1.00 0.00 H new ATOM 0 HE1 TYR A 123 17.505 -0.531 3.901 1.00 0.00 H new ATOM 0 HE2 TYR A 123 16.780 -3.484 0.861 1.00 0.00 H new ATOM 0 HH TYR A 123 17.247 -4.000 2.984 1.00 0.00 H new ATOM 478 N GLY A 124 15.596 4.156 0.236 1.00 0.00 N ATOM 479 CA GLY A 124 15.736 5.568 -0.218 1.00 0.00 C ATOM 480 C GLY A 124 14.376 6.134 -0.629 1.00 0.00 C ATOM 481 O GLY A 124 13.721 6.815 0.135 1.00 0.00 O ATOM 0 H GLY A 124 15.676 4.017 1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 124 16.162 6.173 0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 124 16.427 5.619 -1.059 1.00 0.00 H new ATOM 485 N LEU A 125 13.954 5.869 -1.837 1.00 0.00 N ATOM 486 CA LEU A 125 12.644 6.401 -2.313 1.00 0.00 C ATOM 487 C LEU A 125 11.601 6.314 -1.196 1.00 0.00 C ATOM 488 O LEU A 125 10.667 7.091 -1.151 1.00 0.00 O ATOM 489 CB LEU A 125 12.167 5.582 -3.517 1.00 0.00 C ATOM 490 CG LEU A 125 12.733 6.183 -4.806 1.00 0.00 C ATOM 491 CD1 LEU A 125 12.152 5.444 -6.012 1.00 0.00 C ATOM 492 CD2 LEU A 125 12.357 7.664 -4.889 1.00 0.00 C ATOM 0 H LEU A 125 14.463 5.304 -2.517 1.00 0.00 H new ATOM 0 HA LEU A 125 12.770 7.444 -2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 125 12.490 4.546 -3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 125 11.078 5.574 -3.555 1.00 0.00 H new ATOM 0 HG LEU A 125 13.818 6.083 -4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 125 12.555 5.872 -6.930 1.00 0.00 H new ATOM 0 HD12 LEU A 125 12.420 4.389 -5.956 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.067 5.544 -6.011 1.00 0.00 H new ATOM 0 HD21 LEU A 125 12.761 8.091 -5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 125 11.272 7.764 -4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 125 12.771 8.193 -4.030 1.00 0.00 H new ATOM 504 N VAL A 126 11.743 5.381 -0.296 1.00 0.00 N ATOM 505 CA VAL A 126 10.748 5.261 0.807 1.00 0.00 C ATOM 506 C VAL A 126 11.473 4.986 2.124 1.00 0.00 C ATOM 507 O VAL A 126 12.297 4.098 2.215 1.00 0.00 O ATOM 508 CB VAL A 126 9.789 4.110 0.504 1.00 0.00 C ATOM 509 CG1 VAL A 126 8.987 4.433 -0.756 1.00 0.00 C ATOM 510 CG2 VAL A 126 10.589 2.825 0.281 1.00 0.00 C ATOM 0 H VAL A 126 12.501 4.699 -0.276 1.00 0.00 H new ATOM 0 HA VAL A 126 10.186 6.191 0.891 1.00 0.00 H new ATOM 0 HB VAL A 126 9.108 3.974 1.344 1.00 0.00 H new ATOM 0 HG11 VAL A 126 8.303 3.612 -0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 126 8.417 5.349 -0.600 1.00 0.00 H new ATOM 0 HG13 VAL A 126 9.668 4.569 -1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 126 9.906 2.004 0.065 1.00 0.00 H new ATOM 0 HG22 VAL A 126 11.270 2.961 -0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 126 11.163 2.593 1.178 1.00 0.00 H new ATOM 520 N HIS A 127 11.167 5.736 3.149 1.00 0.00 N ATOM 521 CA HIS A 127 11.836 5.510 4.461 1.00 0.00 C ATOM 522 C HIS A 127 11.878 4.008 4.743 1.00 0.00 C ATOM 523 O HIS A 127 12.817 3.499 5.321 1.00 0.00 O ATOM 524 CB HIS A 127 11.052 6.220 5.566 1.00 0.00 C ATOM 525 CG HIS A 127 11.945 6.426 6.758 1.00 0.00 C ATOM 526 ND1 HIS A 127 11.470 6.920 7.962 1.00 0.00 N ATOM 527 CD2 HIS A 127 13.288 6.209 6.944 1.00 0.00 C ATOM 528 CE1 HIS A 127 12.511 6.983 8.813 1.00 0.00 C ATOM 529 NE2 HIS A 127 13.643 6.561 8.243 1.00 0.00 N ATOM 0 H HIS A 127 10.484 6.494 3.134 1.00 0.00 H new ATOM 0 HA HIS A 127 12.850 5.908 4.432 1.00 0.00 H new ATOM 0 HB2 HIS A 127 10.681 7.179 5.205 1.00 0.00 H new ATOM 0 HB3 HIS A 127 10.182 5.628 5.848 1.00 0.00 H new ATOM 0 HD2 HIS A 127 13.966 5.824 6.196 1.00 0.00 H new ATOM 0 HE1 HIS A 127 12.440 7.332 9.832 1.00 0.00 H new ATOM 0 HE2 HIS A 127 14.569 6.508 8.668 1.00 0.00 H new ATOM 537 N GLN A 128 10.869 3.296 4.325 1.00 0.00 N ATOM 538 CA GLN A 128 10.844 1.824 4.550 1.00 0.00 C ATOM 539 C GLN A 128 9.942 1.178 3.496 1.00 0.00 C ATOM 540 O GLN A 128 10.290 0.181 2.897 1.00 0.00 O ATOM 541 CB GLN A 128 10.316 1.522 5.957 1.00 0.00 C ATOM 542 CG GLN A 128 8.900 2.086 6.119 1.00 0.00 C ATOM 543 CD GLN A 128 7.846 1.078 5.636 1.00 0.00 C ATOM 544 OE1 GLN A 128 6.665 1.351 5.707 1.00 0.00 O ATOM 545 NE2 GLN A 128 8.209 -0.080 5.144 1.00 0.00 N ATOM 0 H GLN A 128 10.057 3.672 3.835 1.00 0.00 H new ATOM 0 HA GLN A 128 11.852 1.418 4.464 1.00 0.00 H new ATOM 0 HB2 GLN A 128 10.309 0.446 6.128 1.00 0.00 H new ATOM 0 HB3 GLN A 128 10.978 1.959 6.704 1.00 0.00 H new ATOM 0 HG2 GLN A 128 8.720 2.332 7.166 1.00 0.00 H new ATOM 0 HG3 GLN A 128 8.807 3.013 5.554 1.00 0.00 H new ATOM 0 HE21 GLN A 128 9.198 -0.319 5.080 1.00 0.00 H new ATOM 0 HE22 GLN A 128 7.502 -0.743 4.825 1.00 0.00 H new ATOM 554 N GLY A 129 8.788 1.742 3.260 1.00 0.00 N ATOM 555 CA GLY A 129 7.869 1.160 2.240 1.00 0.00 C ATOM 556 C GLY A 129 6.487 1.806 2.362 1.00 0.00 C ATOM 557 O GLY A 129 6.111 2.301 3.406 1.00 0.00 O ATOM 0 H GLY A 129 8.442 2.579 3.729 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.270 1.323 1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 129 7.791 0.082 2.380 1.00 0.00 H new ATOM 561 N MET A 130 5.725 1.800 1.302 1.00 0.00 N ATOM 562 CA MET A 130 4.365 2.409 1.357 1.00 0.00 C ATOM 563 C MET A 130 3.353 1.348 1.785 1.00 0.00 C ATOM 564 O MET A 130 2.998 0.471 1.023 1.00 0.00 O ATOM 565 CB MET A 130 3.982 2.940 -0.026 1.00 0.00 C ATOM 566 CG MET A 130 4.418 4.398 -0.159 1.00 0.00 C ATOM 567 SD MET A 130 6.160 4.555 0.303 1.00 0.00 S ATOM 568 CE MET A 130 6.343 6.294 -0.155 1.00 0.00 C ATOM 0 H MET A 130 5.985 1.400 0.401 1.00 0.00 H new ATOM 0 HA MET A 130 4.366 3.230 2.074 1.00 0.00 H new ATOM 0 HB2 MET A 130 4.455 2.337 -0.801 1.00 0.00 H new ATOM 0 HB3 MET A 130 2.905 2.858 -0.172 1.00 0.00 H new ATOM 0 HG2 MET A 130 4.271 4.740 -1.183 1.00 0.00 H new ATOM 0 HG3 MET A 130 3.803 5.032 0.480 1.00 0.00 H new ATOM 0 HE1 MET A 130 7.336 6.643 0.129 1.00 0.00 H new ATOM 0 HE2 MET A 130 6.215 6.402 -1.232 1.00 0.00 H new ATOM 0 HE3 MET A 130 5.589 6.888 0.361 1.00 0.00 H new ATOM 578 N LYS A 131 2.881 1.419 2.999 1.00 0.00 N ATOM 579 CA LYS A 131 1.892 0.410 3.468 1.00 0.00 C ATOM 580 C LYS A 131 0.478 0.942 3.246 1.00 0.00 C ATOM 581 O LYS A 131 0.110 1.987 3.744 1.00 0.00 O ATOM 582 CB LYS A 131 2.105 0.138 4.956 1.00 0.00 C ATOM 583 CG LYS A 131 1.148 -0.964 5.414 1.00 0.00 C ATOM 584 CD LYS A 131 0.877 -0.816 6.913 1.00 0.00 C ATOM 585 CE LYS A 131 -0.599 -0.484 7.134 1.00 0.00 C ATOM 586 NZ LYS A 131 -0.738 0.383 8.338 1.00 0.00 N ATOM 0 H LYS A 131 3.137 2.130 3.684 1.00 0.00 H new ATOM 0 HA LYS A 131 2.025 -0.515 2.908 1.00 0.00 H new ATOM 0 HB2 LYS A 131 3.137 -0.163 5.138 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.932 1.047 5.531 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.213 -0.903 4.857 1.00 0.00 H new ATOM 0 HG3 LYS A 131 1.579 -1.944 5.207 1.00 0.00 H new ATOM 0 HD2 LYS A 131 1.135 -1.739 7.433 1.00 0.00 H new ATOM 0 HD3 LYS A 131 1.504 -0.029 7.331 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -1.004 0.024 6.258 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -1.174 -1.401 7.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -1.742 0.609 8.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -0.367 -0.117 9.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -0.202 1.263 8.196 1.00 0.00 H new ATOM 600 N CYS A 132 -0.318 0.226 2.506 1.00 0.00 N ATOM 601 CA CYS A 132 -1.711 0.686 2.256 1.00 0.00 C ATOM 602 C CYS A 132 -2.493 0.651 3.570 1.00 0.00 C ATOM 603 O CYS A 132 -2.573 -0.367 4.228 1.00 0.00 O ATOM 604 CB CYS A 132 -2.380 -0.232 1.233 1.00 0.00 C ATOM 605 SG CYS A 132 -4.072 0.331 0.927 1.00 0.00 S ATOM 0 H CYS A 132 -0.065 -0.657 2.063 1.00 0.00 H new ATOM 0 HA CYS A 132 -1.697 1.704 1.865 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -1.812 -0.231 0.303 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -2.388 -1.258 1.601 1.00 0.00 H new ATOM 0 HG CYS A 132 -4.375 1.273 1.770 1.00 0.00 H new ATOM 610 N SER A 133 -3.066 1.756 3.961 1.00 0.00 N ATOM 611 CA SER A 133 -3.837 1.784 5.237 1.00 0.00 C ATOM 612 C SER A 133 -5.282 1.349 4.979 1.00 0.00 C ATOM 613 O SER A 133 -6.181 1.674 5.728 1.00 0.00 O ATOM 614 CB SER A 133 -3.828 3.203 5.806 1.00 0.00 C ATOM 615 OG SER A 133 -3.181 3.198 7.071 1.00 0.00 O ATOM 0 H SER A 133 -3.034 2.640 3.453 1.00 0.00 H new ATOM 0 HA SER A 133 -3.377 1.100 5.950 1.00 0.00 H new ATOM 0 HB2 SER A 133 -3.311 3.878 5.123 1.00 0.00 H new ATOM 0 HB3 SER A 133 -4.848 3.573 5.908 1.00 0.00 H new ATOM 0 HG SER A 133 -3.804 3.514 7.758 1.00 0.00 H new ATOM 621 N CYS A 134 -5.514 0.615 3.926 1.00 0.00 N ATOM 622 CA CYS A 134 -6.899 0.162 3.624 1.00 0.00 C ATOM 623 C CYS A 134 -6.903 -1.343 3.340 1.00 0.00 C ATOM 624 O CYS A 134 -7.870 -2.028 3.605 1.00 0.00 O ATOM 625 CB CYS A 134 -7.426 0.913 2.398 1.00 0.00 C ATOM 626 SG CYS A 134 -9.209 1.172 2.570 1.00 0.00 S ATOM 0 H CYS A 134 -4.803 0.310 3.262 1.00 0.00 H new ATOM 0 HA CYS A 134 -7.539 0.368 4.482 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -6.916 1.871 2.298 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -7.216 0.345 1.492 1.00 0.00 H new ATOM 0 HG CYS A 134 -9.657 1.811 1.530 1.00 0.00 H new ATOM 632 N CYS A 135 -5.834 -1.866 2.799 1.00 0.00 N ATOM 633 CA CYS A 135 -5.795 -3.325 2.499 1.00 0.00 C ATOM 634 C CYS A 135 -4.442 -3.915 2.914 1.00 0.00 C ATOM 635 O CYS A 135 -4.181 -5.083 2.711 1.00 0.00 O ATOM 636 CB CYS A 135 -6.007 -3.540 0.997 1.00 0.00 C ATOM 637 SG CYS A 135 -4.527 -3.024 0.089 1.00 0.00 S ATOM 0 H CYS A 135 -4.991 -1.348 2.553 1.00 0.00 H new ATOM 0 HA CYS A 135 -6.585 -3.825 3.059 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -6.220 -4.590 0.797 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -6.871 -2.969 0.657 1.00 0.00 H new ATOM 0 HG CYS A 135 -4.314 -1.757 0.290 1.00 0.00 H new ATOM 642 N GLU A 136 -3.576 -3.119 3.485 1.00 0.00 N ATOM 643 CA GLU A 136 -2.244 -3.646 3.899 1.00 0.00 C ATOM 644 C GLU A 136 -1.472 -4.080 2.653 1.00 0.00 C ATOM 645 O GLU A 136 -1.411 -5.247 2.322 1.00 0.00 O ATOM 646 CB GLU A 136 -2.429 -4.844 4.835 1.00 0.00 C ATOM 647 CG GLU A 136 -3.227 -4.411 6.066 1.00 0.00 C ATOM 648 CD GLU A 136 -3.385 -5.598 7.017 1.00 0.00 C ATOM 649 OE1 GLU A 136 -2.671 -6.572 6.839 1.00 0.00 O ATOM 650 OE2 GLU A 136 -4.216 -5.515 7.904 1.00 0.00 O ATOM 0 H GLU A 136 -3.733 -2.131 3.682 1.00 0.00 H new ATOM 0 HA GLU A 136 -1.689 -2.869 4.424 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -2.950 -5.648 4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -1.458 -5.236 5.137 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -2.718 -3.591 6.573 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -4.207 -4.040 5.765 1.00 0.00 H new ATOM 657 N MET A 137 -0.893 -3.144 1.955 1.00 0.00 N ATOM 658 CA MET A 137 -0.134 -3.490 0.720 1.00 0.00 C ATOM 659 C MET A 137 1.155 -2.667 0.662 1.00 0.00 C ATOM 660 O MET A 137 1.125 -1.457 0.559 1.00 0.00 O ATOM 661 CB MET A 137 -0.997 -3.170 -0.502 1.00 0.00 C ATOM 662 CG MET A 137 -0.654 -4.127 -1.643 1.00 0.00 C ATOM 663 SD MET A 137 -2.183 -4.815 -2.326 1.00 0.00 S ATOM 664 CE MET A 137 -1.597 -5.036 -4.023 1.00 0.00 C ATOM 0 H MET A 137 -0.912 -2.151 2.187 1.00 0.00 H new ATOM 0 HA MET A 137 0.116 -4.551 0.729 1.00 0.00 H new ATOM 0 HB2 MET A 137 -2.053 -3.258 -0.246 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.830 -2.140 -0.817 1.00 0.00 H new ATOM 0 HG2 MET A 137 -0.099 -3.601 -2.420 1.00 0.00 H new ATOM 0 HG3 MET A 137 -0.011 -4.929 -1.280 1.00 0.00 H new ATOM 0 HE1 MET A 137 -2.396 -5.458 -4.632 1.00 0.00 H new ATOM 0 HE2 MET A 137 -1.299 -4.071 -4.434 1.00 0.00 H new ATOM 0 HE3 MET A 137 -0.742 -5.712 -4.028 1.00 0.00 H new ATOM 674 N ASN A 138 2.289 -3.312 0.720 1.00 0.00 N ATOM 675 CA ASN A 138 3.575 -2.561 0.665 1.00 0.00 C ATOM 676 C ASN A 138 4.026 -2.427 -0.792 1.00 0.00 C ATOM 677 O ASN A 138 4.062 -3.391 -1.531 1.00 0.00 O ATOM 678 CB ASN A 138 4.642 -3.315 1.462 1.00 0.00 C ATOM 679 CG ASN A 138 4.411 -3.097 2.960 1.00 0.00 C ATOM 680 OD1 ASN A 138 4.188 -4.038 3.695 1.00 0.00 O ATOM 681 ND2 ASN A 138 4.455 -1.887 3.444 1.00 0.00 N ATOM 0 H ASN A 138 2.380 -4.325 0.803 1.00 0.00 H new ATOM 0 HA ASN A 138 3.434 -1.569 1.095 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.601 -4.379 1.228 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.635 -2.965 1.182 1.00 0.00 H new ATOM 0 HD21 ASN A 138 4.302 -1.730 4.440 1.00 0.00 H new ATOM 0 HD22 ASN A 138 4.642 -1.097 2.826 1.00 0.00 H new ATOM 688 N VAL A 139 4.369 -1.239 -1.213 1.00 0.00 N ATOM 689 CA VAL A 139 4.814 -1.049 -2.623 1.00 0.00 C ATOM 690 C VAL A 139 5.950 -0.022 -2.672 1.00 0.00 C ATOM 691 O VAL A 139 6.303 0.575 -1.674 1.00 0.00 O ATOM 692 CB VAL A 139 3.639 -0.546 -3.465 1.00 0.00 C ATOM 693 CG1 VAL A 139 2.533 -1.603 -3.483 1.00 0.00 C ATOM 694 CG2 VAL A 139 3.095 0.749 -2.858 1.00 0.00 C ATOM 0 H VAL A 139 4.360 -0.394 -0.642 1.00 0.00 H new ATOM 0 HA VAL A 139 5.169 -2.000 -3.020 1.00 0.00 H new ATOM 0 HB VAL A 139 3.978 -0.357 -4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 139 1.697 -1.244 -4.083 1.00 0.00 H new ATOM 0 HG12 VAL A 139 2.919 -2.526 -3.915 1.00 0.00 H new ATOM 0 HG13 VAL A 139 2.194 -1.792 -2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.258 1.108 -3.457 1.00 0.00 H new ATOM 0 HG22 VAL A 139 2.757 0.559 -1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 139 3.882 1.503 -2.845 1.00 0.00 H new ATOM 704 N HIS A 140 6.524 0.186 -3.827 1.00 0.00 N ATOM 705 CA HIS A 140 7.636 1.174 -3.943 1.00 0.00 C ATOM 706 C HIS A 140 7.056 2.584 -4.046 1.00 0.00 C ATOM 707 O HIS A 140 5.856 2.774 -4.067 1.00 0.00 O ATOM 708 CB HIS A 140 8.452 0.880 -5.205 1.00 0.00 C ATOM 709 CG HIS A 140 9.557 -0.083 -4.880 1.00 0.00 C ATOM 710 ND1 HIS A 140 9.505 -1.416 -5.251 1.00 0.00 N ATOM 711 CD2 HIS A 140 10.750 0.077 -4.219 1.00 0.00 C ATOM 712 CE1 HIS A 140 10.633 -2.003 -4.812 1.00 0.00 C ATOM 713 NE2 HIS A 140 11.429 -1.138 -4.177 1.00 0.00 N ATOM 0 H HIS A 140 6.271 -0.286 -4.695 1.00 0.00 H new ATOM 0 HA HIS A 140 8.276 1.100 -3.064 1.00 0.00 H new ATOM 0 HB2 HIS A 140 7.807 0.461 -5.977 1.00 0.00 H new ATOM 0 HB3 HIS A 140 8.868 1.805 -5.604 1.00 0.00 H new ATOM 0 HD1 HIS A 140 8.749 -1.870 -5.764 1.00 0.00 H new ATOM 0 HD2 HIS A 140 11.107 1.004 -3.796 1.00 0.00 H new ATOM 0 HE1 HIS A 140 10.867 -3.048 -4.956 1.00 0.00 H new ATOM 720 N ARG A 141 7.902 3.575 -4.119 1.00 0.00 N ATOM 721 CA ARG A 141 7.402 4.974 -4.234 1.00 0.00 C ATOM 722 C ARG A 141 7.082 5.267 -5.699 1.00 0.00 C ATOM 723 O ARG A 141 6.397 6.218 -6.020 1.00 0.00 O ATOM 724 CB ARG A 141 8.479 5.944 -3.741 1.00 0.00 C ATOM 725 CG ARG A 141 7.841 7.008 -2.847 1.00 0.00 C ATOM 726 CD ARG A 141 8.556 8.345 -3.052 1.00 0.00 C ATOM 727 NE ARG A 141 7.744 9.437 -2.443 1.00 0.00 N ATOM 728 CZ ARG A 141 8.333 10.400 -1.788 1.00 0.00 C ATOM 729 NH1 ARG A 141 9.290 11.083 -2.352 1.00 0.00 N ATOM 730 NH2 ARG A 141 7.964 10.677 -0.567 1.00 0.00 N ATOM 0 H ARG A 141 8.917 3.476 -4.104 1.00 0.00 H new ATOM 0 HA ARG A 141 6.504 5.097 -3.628 1.00 0.00 H new ATOM 0 HB2 ARG A 141 9.245 5.401 -3.187 1.00 0.00 H new ATOM 0 HB3 ARG A 141 8.973 6.417 -4.590 1.00 0.00 H new ATOM 0 HG2 ARG A 141 6.782 7.110 -3.085 1.00 0.00 H new ATOM 0 HG3 ARG A 141 7.906 6.706 -1.802 1.00 0.00 H new ATOM 0 HD2 ARG A 141 9.546 8.315 -2.596 1.00 0.00 H new ATOM 0 HD3 ARG A 141 8.701 8.534 -4.116 1.00 0.00 H new ATOM 0 HE ARG A 141 6.728 9.431 -2.538 1.00 0.00 H new ATOM 0 HH11 ARG A 141 9.579 10.865 -3.306 1.00 0.00 H new ATOM 0 HH12 ARG A 141 9.750 11.836 -1.840 1.00 0.00 H new ATOM 0 HH21 ARG A 141 7.216 10.141 -0.126 1.00 0.00 H new ATOM 0 HH22 ARG A 141 8.423 11.429 -0.054 1.00 0.00 H new ATOM 744 N ARG A 142 7.572 4.451 -6.590 1.00 0.00 N ATOM 745 CA ARG A 142 7.299 4.669 -8.036 1.00 0.00 C ATOM 746 C ARG A 142 6.487 3.491 -8.582 1.00 0.00 C ATOM 747 O ARG A 142 6.130 3.456 -9.743 1.00 0.00 O ATOM 748 CB ARG A 142 8.622 4.772 -8.796 1.00 0.00 C ATOM 749 CG ARG A 142 9.533 3.612 -8.391 1.00 0.00 C ATOM 750 CD ARG A 142 10.865 3.726 -9.134 1.00 0.00 C ATOM 751 NE ARG A 142 10.940 2.668 -10.181 1.00 0.00 N ATOM 752 CZ ARG A 142 12.066 2.445 -10.803 1.00 0.00 C ATOM 753 NH1 ARG A 142 12.955 1.648 -10.275 1.00 0.00 N ATOM 754 NH2 ARG A 142 12.303 3.018 -11.950 1.00 0.00 N ATOM 0 H ARG A 142 8.152 3.639 -6.377 1.00 0.00 H new ATOM 0 HA ARG A 142 6.735 5.593 -8.165 1.00 0.00 H new ATOM 0 HB2 ARG A 142 8.440 4.747 -9.870 1.00 0.00 H new ATOM 0 HB3 ARG A 142 9.107 5.723 -8.577 1.00 0.00 H new ATOM 0 HG2 ARG A 142 9.703 3.628 -7.314 1.00 0.00 H new ATOM 0 HG3 ARG A 142 9.054 2.661 -8.625 1.00 0.00 H new ATOM 0 HD2 ARG A 142 10.956 4.712 -9.590 1.00 0.00 H new ATOM 0 HD3 ARG A 142 11.694 3.620 -8.435 1.00 0.00 H new ATOM 0 HE ARG A 142 10.112 2.118 -10.411 1.00 0.00 H new ATOM 0 HH11 ARG A 142 12.769 1.200 -9.377 1.00 0.00 H new ATOM 0 HH12 ARG A 142 13.835 1.473 -10.760 1.00 0.00 H new ATOM 0 HH21 ARG A 142 11.608 3.641 -12.362 1.00 0.00 H new ATOM 0 HH22 ARG A 142 13.183 2.843 -12.435 1.00 0.00 H new ATOM 768 N CYS A 143 6.193 2.524 -7.754 1.00 0.00 N ATOM 769 CA CYS A 143 5.404 1.353 -8.227 1.00 0.00 C ATOM 770 C CYS A 143 3.913 1.639 -8.035 1.00 0.00 C ATOM 771 O CYS A 143 3.065 0.950 -8.567 1.00 0.00 O ATOM 772 CB CYS A 143 5.790 0.111 -7.419 1.00 0.00 C ATOM 773 SG CYS A 143 7.265 -0.650 -8.146 1.00 0.00 S ATOM 0 H CYS A 143 6.466 2.496 -6.772 1.00 0.00 H new ATOM 0 HA CYS A 143 5.613 1.177 -9.282 1.00 0.00 H new ATOM 0 HB2 CYS A 143 5.983 0.385 -6.382 1.00 0.00 H new ATOM 0 HB3 CYS A 143 4.966 -0.602 -7.413 1.00 0.00 H new ATOM 0 HG CYS A 143 6.909 -1.622 -8.932 1.00 0.00 H new ATOM 778 N VAL A 144 3.587 2.652 -7.278 1.00 0.00 N ATOM 779 CA VAL A 144 2.151 2.981 -7.055 1.00 0.00 C ATOM 780 C VAL A 144 1.521 3.442 -8.371 1.00 0.00 C ATOM 781 O VAL A 144 0.338 3.282 -8.593 1.00 0.00 O ATOM 782 CB VAL A 144 2.039 4.100 -6.018 1.00 0.00 C ATOM 783 CG1 VAL A 144 0.565 4.425 -5.774 1.00 0.00 C ATOM 784 CG2 VAL A 144 2.683 3.645 -4.706 1.00 0.00 C ATOM 0 H VAL A 144 4.252 3.264 -6.806 1.00 0.00 H new ATOM 0 HA VAL A 144 1.629 2.095 -6.693 1.00 0.00 H new ATOM 0 HB VAL A 144 2.551 4.989 -6.387 1.00 0.00 H new ATOM 0 HG11 VAL A 144 0.486 5.222 -5.035 1.00 0.00 H new ATOM 0 HG12 VAL A 144 0.104 4.748 -6.707 1.00 0.00 H new ATOM 0 HG13 VAL A 144 0.053 3.536 -5.405 1.00 0.00 H new ATOM 0 HG21 VAL A 144 2.604 4.442 -3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 144 2.171 2.756 -4.338 1.00 0.00 H new ATOM 0 HG23 VAL A 144 3.734 3.413 -4.878 1.00 0.00 H new ATOM 794 N ARG A 145 2.302 4.016 -9.246 1.00 0.00 N ATOM 795 CA ARG A 145 1.747 4.488 -10.545 1.00 0.00 C ATOM 796 C ARG A 145 1.520 3.291 -11.472 1.00 0.00 C ATOM 797 O ARG A 145 0.912 3.411 -12.516 1.00 0.00 O ATOM 798 CB ARG A 145 2.733 5.458 -11.198 1.00 0.00 C ATOM 799 CG ARG A 145 2.232 5.835 -12.595 1.00 0.00 C ATOM 800 CD ARG A 145 2.365 7.345 -12.795 1.00 0.00 C ATOM 801 NE ARG A 145 1.035 7.989 -12.602 1.00 0.00 N ATOM 802 CZ ARG A 145 0.962 9.246 -12.256 1.00 0.00 C ATOM 803 NH1 ARG A 145 1.452 9.636 -11.111 1.00 0.00 N ATOM 804 NH2 ARG A 145 0.401 10.112 -13.054 1.00 0.00 N ATOM 0 H ARG A 145 3.301 4.178 -9.116 1.00 0.00 H new ATOM 0 HA ARG A 145 0.798 4.995 -10.370 1.00 0.00 H new ATOM 0 HB2 ARG A 145 2.839 6.353 -10.585 1.00 0.00 H new ATOM 0 HB3 ARG A 145 3.719 4.999 -11.266 1.00 0.00 H new ATOM 0 HG2 ARG A 145 2.807 5.305 -13.354 1.00 0.00 H new ATOM 0 HG3 ARG A 145 1.192 5.532 -12.714 1.00 0.00 H new ATOM 0 HD2 ARG A 145 3.086 7.755 -12.087 1.00 0.00 H new ATOM 0 HD3 ARG A 145 2.743 7.559 -13.795 1.00 0.00 H new ATOM 0 HE ARG A 145 0.182 7.448 -12.740 1.00 0.00 H new ATOM 0 HH11 ARG A 145 1.892 8.959 -10.487 1.00 0.00 H new ATOM 0 HH12 ARG A 145 1.395 10.618 -10.840 1.00 0.00 H new ATOM 0 HH21 ARG A 145 0.019 9.808 -13.949 1.00 0.00 H new ATOM 0 HH22 ARG A 145 0.345 11.094 -12.783 1.00 0.00 H new ATOM 818 N SER A 146 2.007 2.140 -11.100 1.00 0.00 N ATOM 819 CA SER A 146 1.818 0.939 -11.963 1.00 0.00 C ATOM 820 C SER A 146 0.595 0.153 -11.488 1.00 0.00 C ATOM 821 O SER A 146 0.151 -0.773 -12.138 1.00 0.00 O ATOM 822 CB SER A 146 3.059 0.050 -11.877 1.00 0.00 C ATOM 823 OG SER A 146 4.218 0.869 -11.788 1.00 0.00 O ATOM 0 H SER A 146 2.527 1.978 -10.237 1.00 0.00 H new ATOM 0 HA SER A 146 1.667 1.255 -12.995 1.00 0.00 H new ATOM 0 HB2 SER A 146 2.993 -0.603 -11.007 1.00 0.00 H new ATOM 0 HB3 SER A 146 3.121 -0.594 -12.754 1.00 0.00 H new ATOM 0 HG SER A 146 5.015 0.302 -11.731 1.00 0.00 H new ATOM 829 N VAL A 147 0.046 0.510 -10.360 1.00 0.00 N ATOM 830 CA VAL A 147 -1.147 -0.222 -9.849 1.00 0.00 C ATOM 831 C VAL A 147 -2.419 0.555 -10.218 1.00 0.00 C ATOM 832 O VAL A 147 -2.486 1.751 -10.017 1.00 0.00 O ATOM 833 CB VAL A 147 -1.054 -0.348 -8.328 1.00 0.00 C ATOM 834 CG1 VAL A 147 -1.851 -1.569 -7.866 1.00 0.00 C ATOM 835 CG2 VAL A 147 0.412 -0.513 -7.919 1.00 0.00 C ATOM 0 H VAL A 147 0.371 1.276 -9.770 1.00 0.00 H new ATOM 0 HA VAL A 147 -1.183 -1.216 -10.296 1.00 0.00 H new ATOM 0 HB VAL A 147 -1.463 0.549 -7.864 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -1.784 -1.658 -6.782 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -2.895 -1.453 -8.157 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -1.442 -2.467 -8.330 1.00 0.00 H new ATOM 0 HG21 VAL A 147 0.479 -0.603 -6.835 1.00 0.00 H new ATOM 0 HG22 VAL A 147 0.821 -1.410 -8.384 1.00 0.00 H new ATOM 0 HG23 VAL A 147 0.981 0.357 -8.247 1.00 0.00 H new ATOM 845 N PRO A 148 -3.392 -0.149 -10.747 1.00 0.00 N ATOM 846 CA PRO A 148 -4.677 0.451 -11.152 1.00 0.00 C ATOM 847 C PRO A 148 -5.597 0.630 -9.937 1.00 0.00 C ATOM 848 O PRO A 148 -6.782 0.373 -10.007 1.00 0.00 O ATOM 849 CB PRO A 148 -5.262 -0.580 -12.119 1.00 0.00 C ATOM 850 CG PRO A 148 -4.589 -1.931 -11.779 1.00 0.00 C ATOM 851 CD PRO A 148 -3.302 -1.601 -10.998 1.00 0.00 C ATOM 0 HA PRO A 148 -4.564 1.439 -11.597 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -6.344 -0.647 -12.007 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -5.065 -0.298 -13.153 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -5.254 -2.555 -11.183 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -4.358 -2.488 -12.687 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -3.247 -2.163 -10.066 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -2.411 -1.851 -11.574 1.00 0.00 H new ATOM 859 N SER A 149 -5.066 1.065 -8.828 1.00 0.00 N ATOM 860 CA SER A 149 -5.918 1.255 -7.619 1.00 0.00 C ATOM 861 C SER A 149 -6.780 0.009 -7.405 1.00 0.00 C ATOM 862 O SER A 149 -7.989 0.051 -7.522 1.00 0.00 O ATOM 863 CB SER A 149 -6.822 2.472 -7.819 1.00 0.00 C ATOM 864 OG SER A 149 -7.980 2.335 -7.007 1.00 0.00 O ATOM 0 H SER A 149 -4.080 1.297 -8.706 1.00 0.00 H new ATOM 0 HA SER A 149 -5.284 1.414 -6.747 1.00 0.00 H new ATOM 0 HB2 SER A 149 -6.286 3.384 -7.557 1.00 0.00 H new ATOM 0 HB3 SER A 149 -7.107 2.559 -8.867 1.00 0.00 H new ATOM 0 HG SER A 149 -8.528 1.595 -7.341 1.00 0.00 H new ATOM 870 N LEU A 150 -6.170 -1.101 -7.092 1.00 0.00 N ATOM 871 CA LEU A 150 -6.955 -2.347 -6.872 1.00 0.00 C ATOM 872 C LEU A 150 -7.251 -2.505 -5.380 1.00 0.00 C ATOM 873 O LEU A 150 -7.120 -3.576 -4.821 1.00 0.00 O ATOM 874 CB LEU A 150 -6.148 -3.552 -7.361 1.00 0.00 C ATOM 875 CG LEU A 150 -6.969 -4.331 -8.391 1.00 0.00 C ATOM 876 CD1 LEU A 150 -6.569 -3.892 -9.800 1.00 0.00 C ATOM 877 CD2 LEU A 150 -6.698 -5.828 -8.228 1.00 0.00 C ATOM 0 H LEU A 150 -5.161 -1.198 -6.979 1.00 0.00 H new ATOM 0 HA LEU A 150 -7.892 -2.288 -7.425 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -5.210 -3.219 -7.805 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -5.892 -4.197 -6.521 1.00 0.00 H new ATOM 0 HG LEU A 150 -8.030 -4.133 -8.237 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -7.154 -4.447 -10.534 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -6.759 -2.825 -9.916 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -5.509 -4.091 -9.956 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -7.282 -6.385 -8.961 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -5.637 -6.025 -8.384 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -6.982 -6.142 -7.223 1.00 0.00 H new ATOM 889 N CYS A 151 -7.649 -1.446 -4.729 1.00 0.00 N ATOM 890 CA CYS A 151 -7.952 -1.537 -3.273 1.00 0.00 C ATOM 891 C CYS A 151 -9.445 -1.808 -3.079 1.00 0.00 C ATOM 892 O CYS A 151 -10.248 -0.897 -3.014 1.00 0.00 O ATOM 893 CB CYS A 151 -7.580 -0.219 -2.592 1.00 0.00 C ATOM 894 SG CYS A 151 -7.172 -0.531 -0.857 1.00 0.00 S ATOM 0 H CYS A 151 -7.777 -0.522 -5.142 1.00 0.00 H new ATOM 0 HA CYS A 151 -7.375 -2.350 -2.832 1.00 0.00 H new ATOM 0 HB2 CYS A 151 -6.731 0.238 -3.100 1.00 0.00 H new ATOM 0 HB3 CYS A 151 -8.409 0.485 -2.661 1.00 0.00 H new ATOM 0 HG CYS A 151 -6.296 -1.489 -0.783 1.00 0.00 H new