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 118:sc= -0.897! USER MOD Set 1.2: A 117 HIS : no HE2:sc= -10.6! C(o=-40!,f=-40!) USER MOD Set 1.3: A 118 CYS SG : rot -60:sc= -6.06! USER MOD Set 1.4: A 140 HIS : no HE2:sc= -22.1! C(o=-40!,f=-43!) USER MOD Set 1.5: A 143 CYS SG : rot 168:sc=0.000178 USER MOD Set 2.1: A 108 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 127 HIS : no HD1:sc= -0.472 K(o=-0.47,f=-1.2) USER MOD Set 3.1: A 102 HIS : no HE2:sc= -17.7! C(o=-20!,f=-29!) USER MOD Set 3.2: A 132 CYS SG : rot -3:sc= 1.56 USER MOD Set 3.3: A 135 CYS SG : rot -54:sc= -0.228! USER MOD Set 3.4: A 151 CYS SG : rot 42:sc= -3.16 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.0396 X(o=-0.04,f=-0.001) USER MOD Single : A 109 TYR OH : rot 120:sc= -0.181 USER MOD Single : A 110 SER OG : rot -95:sc= -0.552 USER MOD Single : A 111 SER OG : rot 180:sc= -0.856 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= -8.05! C(o=-8.1!,f=-18!) USER MOD Single : A 130 MET CE :methyl -146:sc= -6.57! (180deg=-11.5!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot -59:sc= 0.402 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= -2.53! C(o=-2.5!,f=-4.1!) 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 -5.625 2.557 -3.221 1.00 0.00 N ATOM 133 CA HIS A 102 -4.806 2.151 -2.044 1.00 0.00 C ATOM 134 C HIS A 102 -4.455 3.387 -1.214 1.00 0.00 C ATOM 135 O HIS A 102 -4.113 4.426 -1.744 1.00 0.00 O ATOM 136 CB HIS A 102 -3.510 1.490 -2.517 1.00 0.00 C ATOM 137 CG HIS A 102 -3.827 0.261 -3.323 1.00 0.00 C ATOM 138 ND1 HIS A 102 -4.257 -0.920 -2.737 1.00 0.00 N ATOM 139 CD2 HIS A 102 -3.767 0.011 -4.670 1.00 0.00 C ATOM 140 CE1 HIS A 102 -4.438 -1.819 -3.720 1.00 0.00 C ATOM 141 NE2 HIS A 102 -4.153 -1.304 -4.920 1.00 0.00 N ATOM 0 HA HIS A 102 -5.378 1.447 -1.440 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -2.933 2.191 -3.119 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -2.893 1.224 -1.659 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -4.408 -1.078 -1.741 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -3.466 0.725 -5.423 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -4.773 -2.833 -3.560 1.00 0.00 H new ATOM 148 N LYS A 103 -4.521 3.280 0.084 1.00 0.00 N ATOM 149 CA LYS A 103 -4.175 4.444 0.945 1.00 0.00 C ATOM 150 C LYS A 103 -2.681 4.393 1.264 1.00 0.00 C ATOM 151 O LYS A 103 -2.271 4.550 2.397 1.00 0.00 O ATOM 152 CB LYS A 103 -4.979 4.376 2.246 1.00 0.00 C ATOM 153 CG LYS A 103 -6.297 5.134 2.073 1.00 0.00 C ATOM 154 CD LYS A 103 -6.273 6.402 2.928 1.00 0.00 C ATOM 155 CE LYS A 103 -7.706 6.871 3.187 1.00 0.00 C ATOM 156 NZ LYS A 103 -7.701 7.931 4.233 1.00 0.00 N ATOM 0 H LYS A 103 -4.800 2.437 0.585 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.412 5.373 0.426 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.177 3.337 2.510 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.403 4.808 3.064 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.445 5.393 1.025 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.134 4.501 2.366 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -5.767 6.206 3.873 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.709 7.185 2.421 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -8.146 7.256 2.267 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -8.322 6.031 3.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.675 8.250 4.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.297 7.549 5.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.127 8.735 3.909 1.00 0.00 H new ATOM 170 N PHE A 104 -1.866 4.164 0.267 1.00 0.00 N ATOM 171 CA PHE A 104 -0.394 4.088 0.496 1.00 0.00 C ATOM 172 C PHE A 104 0.037 5.166 1.492 1.00 0.00 C ATOM 173 O PHE A 104 -0.385 6.303 1.414 1.00 0.00 O ATOM 174 CB PHE A 104 0.339 4.303 -0.830 1.00 0.00 C ATOM 175 CG PHE A 104 -0.045 3.214 -1.804 1.00 0.00 C ATOM 176 CD1 PHE A 104 0.007 1.870 -1.409 1.00 0.00 C ATOM 177 CD2 PHE A 104 -0.451 3.547 -3.103 1.00 0.00 C ATOM 178 CE1 PHE A 104 -0.347 0.860 -2.312 1.00 0.00 C ATOM 179 CE2 PHE A 104 -0.805 2.536 -4.007 1.00 0.00 C ATOM 180 CZ PHE A 104 -0.754 1.193 -3.612 1.00 0.00 C ATOM 0 H PHE A 104 -2.159 4.026 -0.700 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.146 3.106 0.900 1.00 0.00 H new ATOM 0 HB2 PHE A 104 0.086 5.280 -1.243 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.417 4.295 -0.667 1.00 0.00 H new ATOM 0 HD1 PHE A 104 0.320 1.613 -0.408 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.491 4.582 -3.408 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -0.307 -0.175 -2.007 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.117 2.793 -5.009 1.00 0.00 H new ATOM 0 HZ PHE A 104 -1.028 0.414 -4.308 1.00 0.00 H new ATOM 190 N ARG A 105 0.876 4.816 2.427 1.00 0.00 N ATOM 191 CA ARG A 105 1.339 5.814 3.428 1.00 0.00 C ATOM 192 C ARG A 105 2.749 5.447 3.890 1.00 0.00 C ATOM 193 O ARG A 105 2.938 4.528 4.663 1.00 0.00 O ATOM 194 CB ARG A 105 0.391 5.812 4.628 1.00 0.00 C ATOM 195 CG ARG A 105 -0.643 6.928 4.465 1.00 0.00 C ATOM 196 CD ARG A 105 -0.952 7.543 5.832 1.00 0.00 C ATOM 197 NE ARG A 105 -2.409 7.417 6.114 1.00 0.00 N ATOM 198 CZ ARG A 105 -2.813 6.944 7.261 1.00 0.00 C ATOM 199 NH1 ARG A 105 -2.150 7.221 8.351 1.00 0.00 N ATOM 200 NH2 ARG A 105 -3.880 6.194 7.318 1.00 0.00 N ATOM 0 H ARG A 105 1.261 3.878 2.540 1.00 0.00 H new ATOM 0 HA ARG A 105 1.348 6.807 2.978 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -0.110 4.847 4.708 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.954 5.956 5.550 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.264 7.693 3.788 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -1.555 6.531 4.019 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.375 7.040 6.608 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -0.657 8.592 5.846 1.00 0.00 H new ATOM 0 HE ARG A 105 -3.091 7.700 5.410 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.316 7.807 8.306 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -2.466 6.851 9.248 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -4.398 5.978 6.466 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -4.196 5.824 8.214 1.00 0.00 H new ATOM 214 N LEU A 106 3.742 6.156 3.428 1.00 0.00 N ATOM 215 CA LEU A 106 5.133 5.842 3.846 1.00 0.00 C ATOM 216 C LEU A 106 5.195 5.784 5.373 1.00 0.00 C ATOM 217 O LEU A 106 4.754 6.686 6.057 1.00 0.00 O ATOM 218 CB LEU A 106 6.080 6.929 3.330 1.00 0.00 C ATOM 219 CG LEU A 106 5.890 8.205 4.149 1.00 0.00 C ATOM 220 CD1 LEU A 106 6.815 9.300 3.617 1.00 0.00 C ATOM 221 CD2 LEU A 106 4.437 8.670 4.042 1.00 0.00 C ATOM 0 H LEU A 106 3.648 6.938 2.780 1.00 0.00 H new ATOM 0 HA LEU A 106 5.435 4.880 3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.113 6.589 3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.882 7.128 2.277 1.00 0.00 H new ATOM 0 HG LEU A 106 6.131 8.002 5.192 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.677 10.209 4.203 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.851 8.971 3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.577 9.502 2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.302 9.580 4.626 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.195 8.870 2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.777 7.892 4.425 1.00 0.00 H new ATOM 233 N HIS A 107 5.734 4.729 5.914 1.00 0.00 N ATOM 234 CA HIS A 107 5.816 4.615 7.397 1.00 0.00 C ATOM 235 C HIS A 107 7.236 4.224 7.802 1.00 0.00 C ATOM 236 O HIS A 107 8.105 4.051 6.970 1.00 0.00 O ATOM 237 CB HIS A 107 4.834 3.547 7.881 1.00 0.00 C ATOM 238 CG HIS A 107 3.912 4.144 8.908 1.00 0.00 C ATOM 239 ND1 HIS A 107 3.829 3.654 10.202 1.00 0.00 N ATOM 240 CD2 HIS A 107 3.028 5.193 8.847 1.00 0.00 C ATOM 241 CE1 HIS A 107 2.924 4.401 10.862 1.00 0.00 C ATOM 242 NE2 HIS A 107 2.405 5.353 10.082 1.00 0.00 N ATOM 0 H HIS A 107 6.121 3.941 5.395 1.00 0.00 H new ATOM 0 HA HIS A 107 5.562 5.574 7.849 1.00 0.00 H new ATOM 0 HB2 HIS A 107 4.258 3.160 7.041 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.378 2.705 8.310 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.844 5.801 7.974 1.00 0.00 H new ATOM 0 HE1 HIS A 107 2.651 4.249 11.896 1.00 0.00 H new ATOM 0 HE2 HIS A 107 1.703 6.048 10.336 1.00 0.00 H new ATOM 250 N SER A 108 7.480 4.081 9.076 1.00 0.00 N ATOM 251 CA SER A 108 8.844 3.698 9.534 1.00 0.00 C ATOM 252 C SER A 108 8.744 2.513 10.497 1.00 0.00 C ATOM 253 O SER A 108 8.343 2.658 11.635 1.00 0.00 O ATOM 254 CB SER A 108 9.494 4.883 10.250 1.00 0.00 C ATOM 255 OG SER A 108 9.004 6.095 9.689 1.00 0.00 O ATOM 0 H SER A 108 6.793 4.213 9.819 1.00 0.00 H new ATOM 0 HA SER A 108 9.451 3.417 8.673 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.271 4.846 11.316 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.578 4.834 10.149 1.00 0.00 H new ATOM 0 HG SER A 108 9.417 6.857 10.146 1.00 0.00 H new ATOM 261 N TYR A 109 9.103 1.342 10.049 1.00 0.00 N ATOM 262 CA TYR A 109 9.026 0.149 10.939 1.00 0.00 C ATOM 263 C TYR A 109 10.403 -0.100 11.559 1.00 0.00 C ATOM 264 O TYR A 109 10.528 -0.357 12.740 1.00 0.00 O ATOM 265 CB TYR A 109 8.616 -1.079 10.118 1.00 0.00 C ATOM 266 CG TYR A 109 7.764 -0.651 8.946 1.00 0.00 C ATOM 267 CD1 TYR A 109 6.546 0.006 9.163 1.00 0.00 C ATOM 268 CD2 TYR A 109 8.197 -0.911 7.638 1.00 0.00 C ATOM 269 CE1 TYR A 109 5.761 0.404 8.072 1.00 0.00 C ATOM 270 CE2 TYR A 109 7.413 -0.512 6.548 1.00 0.00 C ATOM 271 CZ TYR A 109 6.195 0.145 6.766 1.00 0.00 C ATOM 272 OH TYR A 109 5.422 0.537 5.692 1.00 0.00 O ATOM 0 H TYR A 109 9.446 1.159 9.106 1.00 0.00 H new ATOM 0 HA TYR A 109 8.289 0.325 11.723 1.00 0.00 H new ATOM 0 HB2 TYR A 109 9.503 -1.602 9.762 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.063 -1.779 10.745 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.212 0.206 10.170 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.135 -1.419 7.471 1.00 0.00 H new ATOM 0 HE1 TYR A 109 4.822 0.910 8.239 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.747 -0.711 5.540 1.00 0.00 H new ATOM 0 HH TYR A 109 5.933 1.156 5.130 1.00 0.00 H new ATOM 282 N SER A 110 11.434 -0.025 10.764 1.00 0.00 N ATOM 283 CA SER A 110 12.810 -0.254 11.287 1.00 0.00 C ATOM 284 C SER A 110 13.744 -0.549 10.111 1.00 0.00 C ATOM 285 O SER A 110 14.937 -0.333 10.181 1.00 0.00 O ATOM 286 CB SER A 110 12.803 -1.448 12.244 1.00 0.00 C ATOM 287 OG SER A 110 11.826 -2.387 11.816 1.00 0.00 O ATOM 0 H SER A 110 11.382 0.187 9.768 1.00 0.00 H new ATOM 0 HA SER A 110 13.154 0.632 11.821 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.787 -1.915 12.268 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.584 -1.115 13.258 1.00 0.00 H new ATOM 0 HG SER A 110 10.988 -2.232 12.301 1.00 0.00 H new ATOM 293 N SER A 111 13.202 -1.041 9.031 1.00 0.00 N ATOM 294 CA SER A 111 14.042 -1.354 7.842 1.00 0.00 C ATOM 295 C SER A 111 13.138 -1.428 6.607 1.00 0.00 C ATOM 296 O SER A 111 11.929 -1.429 6.730 1.00 0.00 O ATOM 297 CB SER A 111 14.737 -2.699 8.057 1.00 0.00 C ATOM 298 OG SER A 111 14.947 -2.898 9.449 1.00 0.00 O ATOM 0 H SER A 111 12.208 -1.240 8.921 1.00 0.00 H new ATOM 0 HA SER A 111 14.796 -0.580 7.698 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.128 -3.506 7.650 1.00 0.00 H new ATOM 0 HB3 SER A 111 15.689 -2.719 7.527 1.00 0.00 H new ATOM 0 HG SER A 111 15.391 -3.760 9.593 1.00 0.00 H new ATOM 304 N PRO A 112 13.747 -1.486 5.449 1.00 0.00 N ATOM 305 CA PRO A 112 13.012 -1.558 4.176 1.00 0.00 C ATOM 306 C PRO A 112 12.472 -2.969 3.942 1.00 0.00 C ATOM 307 O PRO A 112 13.210 -3.935 3.916 1.00 0.00 O ATOM 308 CB PRO A 112 14.065 -1.182 3.130 1.00 0.00 C ATOM 309 CG PRO A 112 15.442 -1.459 3.776 1.00 0.00 C ATOM 310 CD PRO A 112 15.216 -1.487 5.302 1.00 0.00 C ATOM 0 HA PRO A 112 12.142 -0.902 4.146 1.00 0.00 H new ATOM 0 HB2 PRO A 112 13.937 -1.770 2.221 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.973 -0.134 2.846 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.850 -2.408 3.427 1.00 0.00 H new ATOM 0 HG3 PRO A 112 16.160 -0.685 3.505 1.00 0.00 H new ATOM 0 HD2 PRO A 112 15.661 -2.373 5.755 1.00 0.00 H new ATOM 0 HD3 PRO A 112 15.666 -0.621 5.787 1.00 0.00 H new ATOM 318 N THR A 113 11.185 -3.091 3.769 1.00 0.00 N ATOM 319 CA THR A 113 10.583 -4.433 3.533 1.00 0.00 C ATOM 320 C THR A 113 10.571 -4.713 2.033 1.00 0.00 C ATOM 321 O THR A 113 10.938 -3.877 1.233 1.00 0.00 O ATOM 322 CB THR A 113 9.149 -4.448 4.070 1.00 0.00 C ATOM 323 OG1 THR A 113 9.049 -3.555 5.171 1.00 0.00 O ATOM 324 CG2 THR A 113 8.786 -5.862 4.524 1.00 0.00 C ATOM 0 H THR A 113 10.522 -2.316 3.781 1.00 0.00 H new ATOM 0 HA THR A 113 11.167 -5.198 4.045 1.00 0.00 H new ATOM 0 HB THR A 113 8.463 -4.135 3.283 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.131 -3.562 5.515 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.765 -5.871 4.906 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.863 -6.546 3.679 1.00 0.00 H new ATOM 0 HG23 THR A 113 9.470 -6.178 5.311 1.00 0.00 H new ATOM 332 N PHE A 114 10.159 -5.884 1.643 1.00 0.00 N ATOM 333 CA PHE A 114 10.138 -6.210 0.190 1.00 0.00 C ATOM 334 C PHE A 114 8.906 -5.583 -0.460 1.00 0.00 C ATOM 335 O PHE A 114 8.019 -5.089 0.208 1.00 0.00 O ATOM 336 CB PHE A 114 10.092 -7.729 0.004 1.00 0.00 C ATOM 337 CG PHE A 114 11.460 -8.314 0.254 1.00 0.00 C ATOM 338 CD1 PHE A 114 11.947 -8.426 1.564 1.00 0.00 C ATOM 339 CD2 PHE A 114 12.245 -8.749 -0.823 1.00 0.00 C ATOM 340 CE1 PHE A 114 13.215 -8.972 1.796 1.00 0.00 C ATOM 341 CE2 PHE A 114 13.514 -9.295 -0.591 1.00 0.00 C ATOM 342 CZ PHE A 114 14.000 -9.407 0.720 1.00 0.00 C ATOM 0 H PHE A 114 9.837 -6.627 2.263 1.00 0.00 H new ATOM 0 HA PHE A 114 11.038 -5.813 -0.279 1.00 0.00 H new ATOM 0 HB2 PHE A 114 9.368 -8.167 0.690 1.00 0.00 H new ATOM 0 HB3 PHE A 114 9.761 -7.971 -1.006 1.00 0.00 H new ATOM 0 HD1 PHE A 114 11.344 -8.091 2.395 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.871 -8.663 -1.833 1.00 0.00 H new ATOM 0 HE1 PHE A 114 13.589 -9.058 2.806 1.00 0.00 H new ATOM 0 HE2 PHE A 114 14.118 -9.630 -1.421 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.978 -9.828 0.900 1.00 0.00 H new ATOM 352 N CYS A 115 8.848 -5.596 -1.763 1.00 0.00 N ATOM 353 CA CYS A 115 7.681 -4.997 -2.468 1.00 0.00 C ATOM 354 C CYS A 115 6.848 -6.109 -3.110 1.00 0.00 C ATOM 355 O CYS A 115 7.372 -7.091 -3.598 1.00 0.00 O ATOM 356 CB CYS A 115 8.191 -4.036 -3.539 1.00 0.00 C ATOM 357 SG CYS A 115 6.802 -3.317 -4.444 1.00 0.00 S ATOM 0 H CYS A 115 9.561 -5.997 -2.372 1.00 0.00 H new ATOM 0 HA CYS A 115 7.055 -4.452 -1.761 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.782 -3.245 -3.077 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.849 -4.564 -4.228 1.00 0.00 H new ATOM 0 HG CYS A 115 6.793 -2.028 -4.273 1.00 0.00 H new ATOM 362 N ASP A 116 5.552 -5.964 -3.101 1.00 0.00 N ATOM 363 CA ASP A 116 4.674 -7.019 -3.694 1.00 0.00 C ATOM 364 C ASP A 116 4.314 -6.660 -5.138 1.00 0.00 C ATOM 365 O ASP A 116 3.868 -7.495 -5.900 1.00 0.00 O ATOM 366 CB ASP A 116 3.393 -7.134 -2.868 1.00 0.00 C ATOM 367 CG ASP A 116 2.793 -5.742 -2.658 1.00 0.00 C ATOM 368 OD1 ASP A 116 2.962 -4.909 -3.534 1.00 0.00 O ATOM 369 OD2 ASP A 116 2.177 -5.533 -1.626 1.00 0.00 O ATOM 0 H ASP A 116 5.060 -5.161 -2.709 1.00 0.00 H new ATOM 0 HA ASP A 116 5.208 -7.969 -3.687 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.676 -7.777 -3.378 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.609 -7.597 -1.905 1.00 0.00 H new ATOM 374 N HIS A 117 4.499 -5.429 -5.521 1.00 0.00 N ATOM 375 CA HIS A 117 4.159 -5.026 -6.914 1.00 0.00 C ATOM 376 C HIS A 117 5.372 -5.246 -7.820 1.00 0.00 C ATOM 377 O HIS A 117 5.237 -5.486 -9.004 1.00 0.00 O ATOM 378 CB HIS A 117 3.768 -3.548 -6.937 1.00 0.00 C ATOM 379 CG HIS A 117 3.422 -3.142 -8.343 1.00 0.00 C ATOM 380 ND1 HIS A 117 2.112 -2.961 -8.760 1.00 0.00 N ATOM 381 CD2 HIS A 117 4.204 -2.878 -9.441 1.00 0.00 C ATOM 382 CE1 HIS A 117 2.145 -2.605 -10.057 1.00 0.00 C ATOM 383 NE2 HIS A 117 3.395 -2.540 -10.522 1.00 0.00 N ATOM 0 H HIS A 117 4.871 -4.684 -4.931 1.00 0.00 H new ATOM 0 HA HIS A 117 3.324 -5.628 -7.272 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.917 -3.376 -6.278 1.00 0.00 H new ATOM 0 HB3 HIS A 117 4.590 -2.938 -6.563 1.00 0.00 H new ATOM 0 HD1 HIS A 117 1.276 -3.077 -8.188 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.283 -2.925 -9.462 1.00 0.00 H new ATOM 0 HE1 HIS A 117 1.267 -2.397 -10.650 1.00 0.00 H new ATOM 391 N CYS A 118 6.558 -5.175 -7.277 1.00 0.00 N ATOM 392 CA CYS A 118 7.770 -5.389 -8.117 1.00 0.00 C ATOM 393 C CYS A 118 8.617 -6.515 -7.515 1.00 0.00 C ATOM 394 O CYS A 118 9.574 -6.969 -8.111 1.00 0.00 O ATOM 395 CB CYS A 118 8.591 -4.098 -8.180 1.00 0.00 C ATOM 396 SG CYS A 118 9.076 -3.603 -6.509 1.00 0.00 S ATOM 0 H CYS A 118 6.739 -4.979 -6.292 1.00 0.00 H new ATOM 0 HA CYS A 118 7.466 -5.667 -9.126 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.477 -4.249 -8.797 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.007 -3.306 -8.649 1.00 0.00 H new ATOM 0 HG CYS A 118 8.012 -3.401 -5.790 1.00 0.00 H new ATOM 401 N GLY A 119 8.269 -6.975 -6.342 1.00 0.00 N ATOM 402 CA GLY A 119 9.049 -8.078 -5.711 1.00 0.00 C ATOM 403 C GLY A 119 10.491 -7.625 -5.469 1.00 0.00 C ATOM 404 O GLY A 119 11.416 -8.410 -5.536 1.00 0.00 O ATOM 0 H GLY A 119 7.479 -6.634 -5.795 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.587 -8.368 -4.768 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.038 -8.957 -6.355 1.00 0.00 H new ATOM 408 N SER A 120 10.690 -6.369 -5.184 1.00 0.00 N ATOM 409 CA SER A 120 12.074 -5.875 -4.936 1.00 0.00 C ATOM 410 C SER A 120 12.134 -5.195 -3.567 1.00 0.00 C ATOM 411 O SER A 120 11.186 -4.577 -3.127 1.00 0.00 O ATOM 412 CB SER A 120 12.458 -4.868 -6.020 1.00 0.00 C ATOM 413 OG SER A 120 12.223 -5.445 -7.298 1.00 0.00 O ATOM 0 H SER A 120 9.957 -5.664 -5.112 1.00 0.00 H new ATOM 0 HA SER A 120 12.768 -6.715 -4.957 1.00 0.00 H new ATOM 0 HB2 SER A 120 11.875 -3.954 -5.907 1.00 0.00 H new ATOM 0 HB3 SER A 120 13.507 -4.591 -5.920 1.00 0.00 H new ATOM 0 HG SER A 120 12.466 -4.802 -7.997 1.00 0.00 H new ATOM 419 N LEU A 121 13.245 -5.304 -2.888 1.00 0.00 N ATOM 420 CA LEU A 121 13.362 -4.662 -1.550 1.00 0.00 C ATOM 421 C LEU A 121 13.311 -3.143 -1.693 1.00 0.00 C ATOM 422 O LEU A 121 13.768 -2.581 -2.668 1.00 0.00 O ATOM 423 CB LEU A 121 14.681 -5.066 -0.890 1.00 0.00 C ATOM 424 CG LEU A 121 14.458 -6.309 -0.030 1.00 0.00 C ATOM 425 CD1 LEU A 121 15.782 -7.054 0.148 1.00 0.00 C ATOM 426 CD2 LEU A 121 13.924 -5.880 1.340 1.00 0.00 C ATOM 0 H LEU A 121 14.074 -5.809 -3.203 1.00 0.00 H new ATOM 0 HA LEU A 121 12.530 -4.994 -0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.435 -5.267 -1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 121 15.059 -4.248 -0.276 1.00 0.00 H new ATOM 0 HG LEU A 121 13.738 -6.968 -0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 121 15.621 -7.940 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 121 16.165 -7.353 -0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 121 16.504 -6.400 0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 121 13.762 -6.762 1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 121 14.648 -5.224 1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 121 12.981 -5.348 1.213 1.00 0.00 H new ATOM 438 N LEU A 122 12.755 -2.478 -0.719 1.00 0.00 N ATOM 439 CA LEU A 122 12.669 -0.993 -0.780 1.00 0.00 C ATOM 440 C LEU A 122 13.978 -0.382 -0.272 1.00 0.00 C ATOM 441 O LEU A 122 13.977 0.570 0.482 1.00 0.00 O ATOM 442 CB LEU A 122 11.510 -0.515 0.099 1.00 0.00 C ATOM 443 CG LEU A 122 10.280 -1.394 -0.141 1.00 0.00 C ATOM 444 CD1 LEU A 122 9.446 -1.464 1.139 1.00 0.00 C ATOM 445 CD2 LEU A 122 9.435 -0.792 -1.265 1.00 0.00 C ATOM 0 H LEU A 122 12.355 -2.901 0.119 1.00 0.00 H new ATOM 0 HA LEU A 122 12.500 -0.681 -1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 122 11.798 -0.555 1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 122 11.275 0.525 -0.127 1.00 0.00 H new ATOM 0 HG LEU A 122 10.600 -2.397 -0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.570 -2.090 0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 122 10.047 -1.891 1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 122 9.126 -0.461 1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.559 -1.417 -1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 122 9.115 0.211 -0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 122 10.028 -0.740 -2.178 1.00 0.00 H new ATOM 457 N TYR A 123 15.097 -0.922 -0.678 1.00 0.00 N ATOM 458 CA TYR A 123 16.402 -0.371 -0.216 1.00 0.00 C ATOM 459 C TYR A 123 16.725 0.899 -1.006 1.00 0.00 C ATOM 460 O TYR A 123 16.530 0.961 -2.203 1.00 0.00 O ATOM 461 CB TYR A 123 17.504 -1.408 -0.445 1.00 0.00 C ATOM 462 CG TYR A 123 17.636 -2.285 0.778 1.00 0.00 C ATOM 463 CD1 TYR A 123 18.111 -1.746 1.980 1.00 0.00 C ATOM 464 CD2 TYR A 123 17.285 -3.640 0.708 1.00 0.00 C ATOM 465 CE1 TYR A 123 18.236 -2.560 3.113 1.00 0.00 C ATOM 466 CE2 TYR A 123 17.409 -4.455 1.841 1.00 0.00 C ATOM 467 CZ TYR A 123 17.885 -3.915 3.044 1.00 0.00 C ATOM 468 OH TYR A 123 18.007 -4.718 4.160 1.00 0.00 O ATOM 0 H TYR A 123 15.162 -1.720 -1.309 1.00 0.00 H new ATOM 0 HA TYR A 123 16.342 -0.134 0.846 1.00 0.00 H new ATOM 0 HB2 TYR A 123 17.269 -2.017 -1.318 1.00 0.00 H new ATOM 0 HB3 TYR A 123 18.451 -0.908 -0.651 1.00 0.00 H new ATOM 0 HD1 TYR A 123 18.381 -0.702 2.033 1.00 0.00 H new ATOM 0 HD2 TYR A 123 16.919 -4.056 -0.219 1.00 0.00 H new ATOM 0 HE1 TYR A 123 18.603 -2.144 4.040 1.00 0.00 H new ATOM 0 HE2 TYR A 123 17.138 -5.499 1.788 1.00 0.00 H new ATOM 0 HH TYR A 123 17.720 -5.629 3.940 1.00 0.00 H new ATOM 478 N GLY A 124 17.217 1.911 -0.347 1.00 0.00 N ATOM 479 CA GLY A 124 17.550 3.174 -1.064 1.00 0.00 C ATOM 480 C GLY A 124 16.413 3.528 -2.025 1.00 0.00 C ATOM 481 O GLY A 124 16.625 4.139 -3.054 1.00 0.00 O ATOM 0 H GLY A 124 17.403 1.918 0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.701 3.982 -0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.483 3.057 -1.615 1.00 0.00 H new ATOM 485 N LEU A 125 15.208 3.151 -1.697 1.00 0.00 N ATOM 486 CA LEU A 125 14.058 3.468 -2.591 1.00 0.00 C ATOM 487 C LEU A 125 13.047 4.331 -1.833 1.00 0.00 C ATOM 488 O LEU A 125 12.570 5.329 -2.335 1.00 0.00 O ATOM 489 CB LEU A 125 13.385 2.168 -3.038 1.00 0.00 C ATOM 490 CG LEU A 125 14.079 1.639 -4.295 1.00 0.00 C ATOM 491 CD1 LEU A 125 13.867 0.128 -4.398 1.00 0.00 C ATOM 492 CD2 LEU A 125 13.486 2.321 -5.530 1.00 0.00 C ATOM 0 H LEU A 125 14.970 2.637 -0.849 1.00 0.00 H new ATOM 0 HA LEU A 125 14.416 4.011 -3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 125 13.438 1.426 -2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 125 12.328 2.344 -3.240 1.00 0.00 H new ATOM 0 HG LEU A 125 15.146 1.853 -4.237 1.00 0.00 H new ATOM 0 HD11 LEU A 125 14.361 -0.249 -5.293 1.00 0.00 H new ATOM 0 HD12 LEU A 125 14.288 -0.359 -3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 125 12.800 -0.087 -4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 125 13.980 1.945 -6.426 1.00 0.00 H new ATOM 0 HD22 LEU A 125 12.419 2.107 -5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 125 13.636 3.398 -5.458 1.00 0.00 H new ATOM 504 N VAL A 126 12.718 3.958 -0.625 1.00 0.00 N ATOM 505 CA VAL A 126 11.740 4.762 0.161 1.00 0.00 C ATOM 506 C VAL A 126 12.173 4.797 1.628 1.00 0.00 C ATOM 507 O VAL A 126 13.004 4.021 2.057 1.00 0.00 O ATOM 508 CB VAL A 126 10.351 4.127 0.053 1.00 0.00 C ATOM 509 CG1 VAL A 126 9.822 4.296 -1.372 1.00 0.00 C ATOM 510 CG2 VAL A 126 10.443 2.637 0.389 1.00 0.00 C ATOM 0 H VAL A 126 13.084 3.133 -0.150 1.00 0.00 H new ATOM 0 HA VAL A 126 11.705 5.778 -0.233 1.00 0.00 H new ATOM 0 HB VAL A 126 9.673 4.616 0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 126 8.833 3.844 -1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 126 9.756 5.357 -1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 126 10.500 3.807 -2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 126 9.454 2.185 0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 126 11.121 2.148 -0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 126 10.819 2.516 1.405 1.00 0.00 H new ATOM 520 N HIS A 127 11.617 5.691 2.401 1.00 0.00 N ATOM 521 CA HIS A 127 12.000 5.773 3.840 1.00 0.00 C ATOM 522 C HIS A 127 12.077 4.362 4.426 1.00 0.00 C ATOM 523 O HIS A 127 13.146 3.850 4.695 1.00 0.00 O ATOM 524 CB HIS A 127 10.953 6.590 4.602 1.00 0.00 C ATOM 525 CG HIS A 127 11.532 7.053 5.910 1.00 0.00 C ATOM 526 ND1 HIS A 127 10.831 6.960 7.103 1.00 0.00 N ATOM 527 CD2 HIS A 127 12.744 7.615 6.231 1.00 0.00 C ATOM 528 CE1 HIS A 127 11.619 7.455 8.075 1.00 0.00 C ATOM 529 NE2 HIS A 127 12.796 7.869 7.598 1.00 0.00 N ATOM 0 H HIS A 127 10.915 6.367 2.099 1.00 0.00 H new ATOM 0 HA HIS A 127 12.972 6.257 3.932 1.00 0.00 H new ATOM 0 HB2 HIS A 127 10.642 7.448 4.006 1.00 0.00 H new ATOM 0 HB3 HIS A 127 10.063 5.986 4.780 1.00 0.00 H new ATOM 0 HD2 HIS A 127 13.536 7.827 5.529 1.00 0.00 H new ATOM 0 HE1 HIS A 127 11.334 7.511 9.115 1.00 0.00 H new ATOM 0 HE2 HIS A 127 13.567 8.282 8.123 1.00 0.00 H new ATOM 537 N GLN A 128 10.955 3.727 4.624 1.00 0.00 N ATOM 538 CA GLN A 128 10.970 2.348 5.190 1.00 0.00 C ATOM 539 C GLN A 128 9.950 1.478 4.450 1.00 0.00 C ATOM 540 O GLN A 128 9.713 0.342 4.811 1.00 0.00 O ATOM 541 CB GLN A 128 10.620 2.403 6.679 1.00 0.00 C ATOM 542 CG GLN A 128 11.365 3.569 7.335 1.00 0.00 C ATOM 543 CD GLN A 128 11.759 3.188 8.763 1.00 0.00 C ATOM 544 OE1 GLN A 128 11.274 2.213 9.299 1.00 0.00 O ATOM 545 NE2 GLN A 128 12.625 3.922 9.407 1.00 0.00 N ATOM 0 H GLN A 128 10.029 4.102 4.419 1.00 0.00 H new ATOM 0 HA GLN A 128 11.964 1.917 5.069 1.00 0.00 H new ATOM 0 HB2 GLN A 128 9.545 2.527 6.807 1.00 0.00 H new ATOM 0 HB3 GLN A 128 10.893 1.465 7.163 1.00 0.00 H new ATOM 0 HG2 GLN A 128 12.254 3.817 6.756 1.00 0.00 H new ATOM 0 HG3 GLN A 128 10.733 4.457 7.346 1.00 0.00 H new ATOM 0 HE21 GLN A 128 13.033 4.742 8.958 1.00 0.00 H new ATOM 0 HE22 GLN A 128 12.894 3.676 10.360 1.00 0.00 H new ATOM 554 N GLY A 129 9.346 1.999 3.416 1.00 0.00 N ATOM 555 CA GLY A 129 8.347 1.197 2.653 1.00 0.00 C ATOM 556 C GLY A 129 6.972 1.865 2.738 1.00 0.00 C ATOM 557 O GLY A 129 6.589 2.392 3.764 1.00 0.00 O ATOM 0 H GLY A 129 9.501 2.945 3.067 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.656 1.110 1.611 1.00 0.00 H new ATOM 0 HA3 GLY A 129 8.295 0.185 3.055 1.00 0.00 H new ATOM 561 N MET A 130 6.225 1.842 1.667 1.00 0.00 N ATOM 562 CA MET A 130 4.872 2.468 1.689 1.00 0.00 C ATOM 563 C MET A 130 3.839 1.409 2.074 1.00 0.00 C ATOM 564 O MET A 130 3.736 0.374 1.447 1.00 0.00 O ATOM 565 CB MET A 130 4.540 3.024 0.301 1.00 0.00 C ATOM 566 CG MET A 130 5.824 3.492 -0.386 1.00 0.00 C ATOM 567 SD MET A 130 6.701 4.650 0.694 1.00 0.00 S ATOM 568 CE MET A 130 5.982 6.170 0.029 1.00 0.00 C ATOM 0 H MET A 130 6.493 1.417 0.779 1.00 0.00 H new ATOM 0 HA MET A 130 4.856 3.281 2.415 1.00 0.00 H new ATOM 0 HB2 MET A 130 4.052 2.258 -0.301 1.00 0.00 H new ATOM 0 HB3 MET A 130 3.839 3.854 0.389 1.00 0.00 H new ATOM 0 HG2 MET A 130 6.460 2.636 -0.612 1.00 0.00 H new ATOM 0 HG3 MET A 130 5.587 3.972 -1.335 1.00 0.00 H new ATOM 0 HE1 MET A 130 6.723 6.969 0.064 1.00 0.00 H new ATOM 0 HE2 MET A 130 5.674 6.005 -1.004 1.00 0.00 H new ATOM 0 HE3 MET A 130 5.115 6.453 0.625 1.00 0.00 H new ATOM 578 N LYS A 131 3.076 1.653 3.103 1.00 0.00 N ATOM 579 CA LYS A 131 2.058 0.651 3.526 1.00 0.00 C ATOM 580 C LYS A 131 0.659 1.147 3.163 1.00 0.00 C ATOM 581 O LYS A 131 0.300 2.275 3.432 1.00 0.00 O ATOM 582 CB LYS A 131 2.145 0.446 5.037 1.00 0.00 C ATOM 583 CG LYS A 131 1.443 -0.858 5.418 1.00 0.00 C ATOM 584 CD LYS A 131 0.119 -0.540 6.115 1.00 0.00 C ATOM 585 CE LYS A 131 0.327 -0.538 7.630 1.00 0.00 C ATOM 586 NZ LYS A 131 -0.001 -1.884 8.179 1.00 0.00 N ATOM 0 H LYS A 131 3.113 2.501 3.668 1.00 0.00 H new ATOM 0 HA LYS A 131 2.250 -0.292 3.015 1.00 0.00 H new ATOM 0 HB2 LYS A 131 3.188 0.414 5.351 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.682 1.285 5.556 1.00 0.00 H new ATOM 0 HG2 LYS A 131 1.262 -1.460 4.527 1.00 0.00 H new ATOM 0 HG3 LYS A 131 2.081 -1.448 6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -0.253 0.431 5.787 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -0.635 -1.279 5.842 1.00 0.00 H new ATOM 0 HE2 LYS A 131 1.359 -0.279 7.866 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -0.305 0.219 8.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 0.140 -1.883 9.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -0.993 -2.114 7.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 0.620 -2.597 7.745 1.00 0.00 H new ATOM 600 N CYS A 132 -0.135 0.309 2.560 1.00 0.00 N ATOM 601 CA CYS A 132 -1.512 0.731 2.186 1.00 0.00 C ATOM 602 C CYS A 132 -2.394 0.742 3.436 1.00 0.00 C ATOM 603 O CYS A 132 -2.626 -0.281 4.054 1.00 0.00 O ATOM 604 CB CYS A 132 -2.090 -0.245 1.160 1.00 0.00 C ATOM 605 SG CYS A 132 -3.833 0.146 0.875 1.00 0.00 S ATOM 0 H CYS A 132 0.110 -0.649 2.310 1.00 0.00 H new ATOM 0 HA CYS A 132 -1.480 1.730 1.752 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -1.533 -0.179 0.225 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -1.990 -1.269 1.519 1.00 0.00 H new ATOM 0 HG CYS A 132 -4.193 1.120 1.658 1.00 0.00 H new ATOM 610 N SER A 133 -2.883 1.891 3.814 1.00 0.00 N ATOM 611 CA SER A 133 -3.747 1.976 5.026 1.00 0.00 C ATOM 612 C SER A 133 -5.192 1.631 4.652 1.00 0.00 C ATOM 613 O SER A 133 -6.125 2.291 5.065 1.00 0.00 O ATOM 614 CB SER A 133 -3.691 3.394 5.593 1.00 0.00 C ATOM 615 OG SER A 133 -4.410 3.440 6.818 1.00 0.00 O ATOM 0 H SER A 133 -2.721 2.777 3.335 1.00 0.00 H new ATOM 0 HA SER A 133 -3.390 1.270 5.776 1.00 0.00 H new ATOM 0 HB2 SER A 133 -2.655 3.692 5.755 1.00 0.00 H new ATOM 0 HB3 SER A 133 -4.118 4.100 4.881 1.00 0.00 H new ATOM 0 HG SER A 133 -5.340 3.175 6.661 1.00 0.00 H new ATOM 621 N CYS A 134 -5.383 0.600 3.878 1.00 0.00 N ATOM 622 CA CYS A 134 -6.762 0.206 3.479 1.00 0.00 C ATOM 623 C CYS A 134 -6.822 -1.313 3.307 1.00 0.00 C ATOM 624 O CYS A 134 -7.794 -1.949 3.661 1.00 0.00 O ATOM 625 CB CYS A 134 -7.124 0.884 2.155 1.00 0.00 C ATOM 626 SG CYS A 134 -8.774 1.617 2.284 1.00 0.00 S ATOM 0 H CYS A 134 -4.640 0.011 3.503 1.00 0.00 H new ATOM 0 HA CYS A 134 -7.468 0.516 4.249 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -6.390 1.654 1.916 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -7.100 0.157 1.343 1.00 0.00 H new ATOM 0 HG CYS A 134 -9.081 2.195 1.161 1.00 0.00 H new ATOM 632 N CYS A 135 -5.787 -1.900 2.766 1.00 0.00 N ATOM 633 CA CYS A 135 -5.784 -3.376 2.574 1.00 0.00 C ATOM 634 C CYS A 135 -4.495 -3.967 3.153 1.00 0.00 C ATOM 635 O CYS A 135 -4.218 -5.140 2.999 1.00 0.00 O ATOM 636 CB CYS A 135 -5.865 -3.695 1.079 1.00 0.00 C ATOM 637 SG CYS A 135 -4.305 -3.249 0.275 1.00 0.00 S ATOM 0 H CYS A 135 -4.945 -1.419 2.450 1.00 0.00 H new ATOM 0 HA CYS A 135 -6.643 -3.810 3.087 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -6.070 -4.756 0.934 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -6.690 -3.146 0.624 1.00 0.00 H new ATOM 0 HG CYS A 135 -4.025 -2.006 0.531 1.00 0.00 H new ATOM 642 N GLU A 136 -3.700 -3.165 3.812 1.00 0.00 N ATOM 643 CA GLU A 136 -2.431 -3.689 4.390 1.00 0.00 C ATOM 644 C GLU A 136 -1.535 -4.191 3.258 1.00 0.00 C ATOM 645 O GLU A 136 -1.391 -5.378 3.043 1.00 0.00 O ATOM 646 CB GLU A 136 -2.740 -4.842 5.349 1.00 0.00 C ATOM 647 CG GLU A 136 -3.088 -4.283 6.729 1.00 0.00 C ATOM 648 CD GLU A 136 -4.594 -4.406 6.966 1.00 0.00 C ATOM 649 OE1 GLU A 136 -5.289 -4.794 6.042 1.00 0.00 O ATOM 650 OE2 GLU A 136 -5.026 -4.112 8.068 1.00 0.00 O ATOM 0 H GLU A 136 -3.875 -2.173 3.974 1.00 0.00 H new ATOM 0 HA GLU A 136 -1.922 -2.895 4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -3.571 -5.434 4.966 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -1.880 -5.508 5.422 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -2.542 -4.826 7.501 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -2.783 -3.239 6.797 1.00 0.00 H new ATOM 657 N MET A 137 -0.933 -3.292 2.529 1.00 0.00 N ATOM 658 CA MET A 137 -0.049 -3.710 1.405 1.00 0.00 C ATOM 659 C MET A 137 1.316 -3.033 1.549 1.00 0.00 C ATOM 660 O MET A 137 1.549 -2.278 2.472 1.00 0.00 O ATOM 661 CB MET A 137 -0.688 -3.293 0.078 1.00 0.00 C ATOM 662 CG MET A 137 -0.284 -4.277 -1.021 1.00 0.00 C ATOM 663 SD MET A 137 -1.753 -4.771 -1.955 1.00 0.00 S ATOM 664 CE MET A 137 -0.933 -5.053 -3.543 1.00 0.00 C ATOM 0 H MET A 137 -1.015 -2.284 2.664 1.00 0.00 H new ATOM 0 HA MET A 137 0.080 -4.792 1.425 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.773 -3.270 0.177 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.371 -2.285 -0.189 1.00 0.00 H new ATOM 0 HG2 MET A 137 0.446 -3.816 -1.687 1.00 0.00 H new ATOM 0 HG3 MET A 137 0.193 -5.153 -0.582 1.00 0.00 H new ATOM 0 HE1 MET A 137 -1.669 -5.372 -4.281 1.00 0.00 H new ATOM 0 HE2 MET A 137 -0.460 -4.130 -3.877 1.00 0.00 H new ATOM 0 HE3 MET A 137 -0.175 -5.828 -3.428 1.00 0.00 H new ATOM 674 N ASN A 138 2.217 -3.296 0.644 1.00 0.00 N ATOM 675 CA ASN A 138 3.565 -2.665 0.729 1.00 0.00 C ATOM 676 C ASN A 138 4.136 -2.491 -0.680 1.00 0.00 C ATOM 677 O ASN A 138 4.284 -3.443 -1.422 1.00 0.00 O ATOM 678 CB ASN A 138 4.495 -3.563 1.549 1.00 0.00 C ATOM 679 CG ASN A 138 3.933 -3.725 2.963 1.00 0.00 C ATOM 680 OD1 ASN A 138 3.580 -2.755 3.604 1.00 0.00 O ATOM 681 ND2 ASN A 138 3.835 -4.920 3.479 1.00 0.00 N ATOM 0 H ASN A 138 2.079 -3.920 -0.151 1.00 0.00 H new ATOM 0 HA ASN A 138 3.482 -1.690 1.210 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.591 -4.538 1.071 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.494 -3.128 1.591 1.00 0.00 H new ATOM 0 HD21 ASN A 138 3.462 -5.040 4.421 1.00 0.00 H new ATOM 0 HD22 ASN A 138 4.131 -5.734 2.940 1.00 0.00 H new ATOM 688 N VAL A 139 4.458 -1.283 -1.058 1.00 0.00 N ATOM 689 CA VAL A 139 5.017 -1.055 -2.421 1.00 0.00 C ATOM 690 C VAL A 139 6.054 0.069 -2.374 1.00 0.00 C ATOM 691 O VAL A 139 6.330 0.635 -1.333 1.00 0.00 O ATOM 692 CB VAL A 139 3.888 -0.664 -3.376 1.00 0.00 C ATOM 693 CG1 VAL A 139 2.859 -1.793 -3.443 1.00 0.00 C ATOM 694 CG2 VAL A 139 3.211 0.612 -2.868 1.00 0.00 C ATOM 0 H VAL A 139 4.358 -0.446 -0.483 1.00 0.00 H new ATOM 0 HA VAL A 139 5.493 -1.971 -2.772 1.00 0.00 H new ATOM 0 HB VAL A 139 4.299 -0.489 -4.370 1.00 0.00 H new ATOM 0 HG11 VAL A 139 2.055 -1.513 -4.124 1.00 0.00 H new ATOM 0 HG12 VAL A 139 3.340 -2.702 -3.804 1.00 0.00 H new ATOM 0 HG13 VAL A 139 2.448 -1.970 -2.449 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.406 0.892 -3.548 1.00 0.00 H new ATOM 0 HG22 VAL A 139 2.801 0.435 -1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 139 3.943 1.418 -2.821 1.00 0.00 H new ATOM 704 N HIS A 140 6.630 0.396 -3.500 1.00 0.00 N ATOM 705 CA HIS A 140 7.651 1.482 -3.535 1.00 0.00 C ATOM 706 C HIS A 140 6.958 2.829 -3.748 1.00 0.00 C ATOM 707 O HIS A 140 5.749 2.936 -3.670 1.00 0.00 O ATOM 708 CB HIS A 140 8.621 1.230 -4.692 1.00 0.00 C ATOM 709 CG HIS A 140 9.540 0.094 -4.341 1.00 0.00 C ATOM 710 ND1 HIS A 140 9.295 -1.208 -4.746 1.00 0.00 N ATOM 711 CD2 HIS A 140 10.711 0.049 -3.627 1.00 0.00 C ATOM 712 CE1 HIS A 140 10.297 -1.975 -4.278 1.00 0.00 C ATOM 713 NE2 HIS A 140 11.187 -1.258 -3.588 1.00 0.00 N ATOM 0 H HIS A 140 6.436 -0.044 -4.400 1.00 0.00 H new ATOM 0 HA HIS A 140 8.197 1.495 -2.592 1.00 0.00 H new ATOM 0 HB2 HIS A 140 8.066 0.995 -5.600 1.00 0.00 H new ATOM 0 HB3 HIS A 140 9.201 2.130 -4.897 1.00 0.00 H new ATOM 0 HD1 HIS A 140 8.499 -1.527 -5.299 1.00 0.00 H new ATOM 0 HD2 HIS A 140 11.191 0.899 -3.165 1.00 0.00 H new ATOM 0 HE1 HIS A 140 10.372 -3.040 -4.441 1.00 0.00 H new ATOM 720 N ARG A 141 7.713 3.857 -4.025 1.00 0.00 N ATOM 721 CA ARG A 141 7.098 5.194 -4.254 1.00 0.00 C ATOM 722 C ARG A 141 6.810 5.365 -5.747 1.00 0.00 C ATOM 723 O ARG A 141 6.096 6.259 -6.155 1.00 0.00 O ATOM 724 CB ARG A 141 8.063 6.287 -3.790 1.00 0.00 C ATOM 725 CG ARG A 141 7.789 6.623 -2.323 1.00 0.00 C ATOM 726 CD ARG A 141 8.841 7.613 -1.819 1.00 0.00 C ATOM 727 NE ARG A 141 8.166 8.745 -1.122 1.00 0.00 N ATOM 728 CZ ARG A 141 8.177 9.937 -1.652 1.00 0.00 C ATOM 729 NH1 ARG A 141 7.750 10.112 -2.873 1.00 0.00 N ATOM 730 NH2 ARG A 141 8.614 10.954 -0.961 1.00 0.00 N ATOM 0 H ARG A 141 8.730 3.828 -4.103 1.00 0.00 H new ATOM 0 HA ARG A 141 6.168 5.272 -3.690 1.00 0.00 H new ATOM 0 HB2 ARG A 141 9.093 5.952 -3.911 1.00 0.00 H new ATOM 0 HB3 ARG A 141 7.943 7.178 -4.406 1.00 0.00 H new ATOM 0 HG2 ARG A 141 6.792 7.051 -2.217 1.00 0.00 H new ATOM 0 HG3 ARG A 141 7.812 5.715 -1.721 1.00 0.00 H new ATOM 0 HD2 ARG A 141 9.530 7.113 -1.139 1.00 0.00 H new ATOM 0 HD3 ARG A 141 9.433 7.987 -2.654 1.00 0.00 H new ATOM 0 HE ARG A 141 7.696 8.587 -0.231 1.00 0.00 H new ATOM 0 HH11 ARG A 141 7.408 9.317 -3.412 1.00 0.00 H new ATOM 0 HH12 ARG A 141 7.758 11.044 -3.288 1.00 0.00 H new ATOM 0 HH21 ARG A 141 8.947 10.817 -0.007 1.00 0.00 H new ATOM 0 HH22 ARG A 141 8.623 11.886 -1.375 1.00 0.00 H new ATOM 744 N ARG A 142 7.358 4.507 -6.565 1.00 0.00 N ATOM 745 CA ARG A 142 7.117 4.612 -8.031 1.00 0.00 C ATOM 746 C ARG A 142 6.301 3.405 -8.502 1.00 0.00 C ATOM 747 O ARG A 142 6.026 3.249 -9.675 1.00 0.00 O ATOM 748 CB ARG A 142 8.458 4.637 -8.767 1.00 0.00 C ATOM 749 CG ARG A 142 9.183 3.307 -8.551 1.00 0.00 C ATOM 750 CD ARG A 142 10.190 3.084 -9.680 1.00 0.00 C ATOM 751 NE ARG A 142 10.651 1.667 -9.660 1.00 0.00 N ATOM 752 CZ ARG A 142 10.996 1.077 -10.772 1.00 0.00 C ATOM 753 NH1 ARG A 142 10.097 0.827 -11.684 1.00 0.00 N ATOM 754 NH2 ARG A 142 12.240 0.736 -10.971 1.00 0.00 N ATOM 0 H ARG A 142 7.963 3.737 -6.280 1.00 0.00 H new ATOM 0 HA ARG A 142 6.567 5.529 -8.244 1.00 0.00 H new ATOM 0 HB2 ARG A 142 8.298 4.807 -9.832 1.00 0.00 H new ATOM 0 HB3 ARG A 142 9.071 5.461 -8.401 1.00 0.00 H new ATOM 0 HG2 ARG A 142 9.695 3.312 -7.589 1.00 0.00 H new ATOM 0 HG3 ARG A 142 8.463 2.489 -8.525 1.00 0.00 H new ATOM 0 HD2 ARG A 142 9.732 3.315 -10.642 1.00 0.00 H new ATOM 0 HD3 ARG A 142 11.040 3.756 -9.562 1.00 0.00 H new ATOM 0 HE ARG A 142 10.697 1.158 -8.777 1.00 0.00 H new ATOM 0 HH11 ARG A 142 9.125 1.093 -11.528 1.00 0.00 H new ATOM 0 HH12 ARG A 142 10.367 0.366 -12.553 1.00 0.00 H new ATOM 0 HH21 ARG A 142 12.943 0.931 -10.258 1.00 0.00 H new ATOM 0 HH22 ARG A 142 12.510 0.275 -11.840 1.00 0.00 H new ATOM 768 N CYS A 143 5.911 2.548 -7.596 1.00 0.00 N ATOM 769 CA CYS A 143 5.112 1.355 -7.995 1.00 0.00 C ATOM 770 C CYS A 143 3.625 1.706 -7.949 1.00 0.00 C ATOM 771 O CYS A 143 2.801 1.046 -8.550 1.00 0.00 O ATOM 772 CB CYS A 143 5.395 0.204 -7.027 1.00 0.00 C ATOM 773 SG CYS A 143 6.726 -0.828 -7.689 1.00 0.00 S ATOM 0 H CYS A 143 6.111 2.623 -6.599 1.00 0.00 H new ATOM 0 HA CYS A 143 5.386 1.053 -9.006 1.00 0.00 H new ATOM 0 HB2 CYS A 143 5.677 0.597 -6.050 1.00 0.00 H new ATOM 0 HB3 CYS A 143 4.495 -0.393 -6.882 1.00 0.00 H new ATOM 0 HG CYS A 143 7.145 -1.641 -6.765 1.00 0.00 H new ATOM 778 N VAL A 144 3.277 2.745 -7.241 1.00 0.00 N ATOM 779 CA VAL A 144 1.845 3.146 -7.158 1.00 0.00 C ATOM 780 C VAL A 144 1.322 3.461 -8.560 1.00 0.00 C ATOM 781 O VAL A 144 0.279 2.989 -8.966 1.00 0.00 O ATOM 782 CB VAL A 144 1.716 4.388 -6.274 1.00 0.00 C ATOM 783 CG1 VAL A 144 0.241 4.773 -6.143 1.00 0.00 C ATOM 784 CG2 VAL A 144 2.288 4.087 -4.888 1.00 0.00 C ATOM 0 H VAL A 144 3.923 3.334 -6.716 1.00 0.00 H new ATOM 0 HA VAL A 144 1.262 2.331 -6.728 1.00 0.00 H new ATOM 0 HB VAL A 144 2.267 5.213 -6.725 1.00 0.00 H new ATOM 0 HG11 VAL A 144 0.151 5.658 -5.513 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -0.168 4.987 -7.130 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -0.312 3.949 -5.692 1.00 0.00 H new ATOM 0 HG21 VAL A 144 2.197 4.971 -4.257 1.00 0.00 H new ATOM 0 HG22 VAL A 144 1.736 3.262 -4.438 1.00 0.00 H new ATOM 0 HG23 VAL A 144 3.339 3.814 -4.980 1.00 0.00 H new ATOM 794 N ARG A 145 2.042 4.256 -9.305 1.00 0.00 N ATOM 795 CA ARG A 145 1.588 4.602 -10.682 1.00 0.00 C ATOM 796 C ARG A 145 1.605 3.348 -11.556 1.00 0.00 C ATOM 797 O ARG A 145 1.070 3.333 -12.647 1.00 0.00 O ATOM 798 CB ARG A 145 2.531 5.650 -11.279 1.00 0.00 C ATOM 799 CG ARG A 145 2.024 7.051 -10.932 1.00 0.00 C ATOM 800 CD ARG A 145 2.540 7.454 -9.549 1.00 0.00 C ATOM 801 NE ARG A 145 1.725 8.588 -9.026 1.00 0.00 N ATOM 802 CZ ARG A 145 2.287 9.516 -8.301 1.00 0.00 C ATOM 803 NH1 ARG A 145 3.122 10.356 -8.849 1.00 0.00 N ATOM 804 NH2 ARG A 145 2.013 9.604 -7.029 1.00 0.00 N ATOM 0 H ARG A 145 2.924 4.680 -9.019 1.00 0.00 H new ATOM 0 HA ARG A 145 0.575 5.002 -10.641 1.00 0.00 H new ATOM 0 HB2 ARG A 145 3.540 5.510 -10.890 1.00 0.00 H new ATOM 0 HB3 ARG A 145 2.587 5.530 -12.361 1.00 0.00 H new ATOM 0 HG2 ARG A 145 2.362 7.767 -11.681 1.00 0.00 H new ATOM 0 HG3 ARG A 145 0.934 7.068 -10.944 1.00 0.00 H new ATOM 0 HD2 ARG A 145 2.483 6.606 -8.866 1.00 0.00 H new ATOM 0 HD3 ARG A 145 3.589 7.744 -9.611 1.00 0.00 H new ATOM 0 HE ARG A 145 0.728 8.638 -9.235 1.00 0.00 H new ATOM 0 HH11 ARG A 145 3.335 10.287 -9.844 1.00 0.00 H new ATOM 0 HH12 ARG A 145 3.561 11.081 -8.282 1.00 0.00 H new ATOM 0 HH21 ARG A 145 1.360 8.948 -6.601 1.00 0.00 H new ATOM 0 HH22 ARG A 145 2.452 10.329 -6.462 1.00 0.00 H new ATOM 818 N SER A 146 2.216 2.294 -11.088 1.00 0.00 N ATOM 819 CA SER A 146 2.269 1.042 -11.894 1.00 0.00 C ATOM 820 C SER A 146 1.128 0.111 -11.476 1.00 0.00 C ATOM 821 O SER A 146 0.750 -0.786 -12.201 1.00 0.00 O ATOM 822 CB SER A 146 3.608 0.343 -11.663 1.00 0.00 C ATOM 823 OG SER A 146 4.653 1.306 -11.696 1.00 0.00 O ATOM 0 H SER A 146 2.681 2.246 -10.181 1.00 0.00 H new ATOM 0 HA SER A 146 2.165 1.289 -12.951 1.00 0.00 H new ATOM 0 HB2 SER A 146 3.602 -0.171 -10.702 1.00 0.00 H new ATOM 0 HB3 SER A 146 3.772 -0.415 -12.429 1.00 0.00 H new ATOM 0 HG SER A 146 5.513 0.861 -11.546 1.00 0.00 H new ATOM 829 N VAL A 147 0.578 0.315 -10.309 1.00 0.00 N ATOM 830 CA VAL A 147 -0.535 -0.563 -9.852 1.00 0.00 C ATOM 831 C VAL A 147 -1.870 0.004 -10.353 1.00 0.00 C ATOM 832 O VAL A 147 -2.108 1.192 -10.252 1.00 0.00 O ATOM 833 CB VAL A 147 -0.548 -0.616 -8.323 1.00 0.00 C ATOM 834 CG1 VAL A 147 -1.291 -1.871 -7.862 1.00 0.00 C ATOM 835 CG2 VAL A 147 0.891 -0.658 -7.803 1.00 0.00 C ATOM 0 H VAL A 147 0.851 1.049 -9.655 1.00 0.00 H new ATOM 0 HA VAL A 147 -0.392 -1.568 -10.250 1.00 0.00 H new ATOM 0 HB VAL A 147 -1.052 0.269 -7.933 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -1.300 -1.909 -6.773 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -2.316 -1.844 -8.233 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -0.787 -2.756 -8.251 1.00 0.00 H new ATOM 0 HG21 VAL A 147 0.883 -0.696 -6.714 1.00 0.00 H new ATOM 0 HG22 VAL A 147 1.393 -1.543 -8.193 1.00 0.00 H new ATOM 0 HG23 VAL A 147 1.423 0.235 -8.131 1.00 0.00 H new ATOM 845 N PRO A 148 -2.702 -0.861 -10.882 1.00 0.00 N ATOM 846 CA PRO A 148 -4.022 -0.472 -11.409 1.00 0.00 C ATOM 847 C PRO A 148 -5.043 -0.334 -10.273 1.00 0.00 C ATOM 848 O PRO A 148 -6.177 -0.754 -10.394 1.00 0.00 O ATOM 849 CB PRO A 148 -4.397 -1.639 -12.327 1.00 0.00 C ATOM 850 CG PRO A 148 -3.576 -2.859 -11.840 1.00 0.00 C ATOM 851 CD PRO A 148 -2.404 -2.301 -11.011 1.00 0.00 C ATOM 0 HA PRO A 148 -4.007 0.490 -11.922 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -5.466 -1.845 -12.276 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -4.166 -1.405 -13.366 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -4.193 -3.525 -11.238 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -3.209 -3.441 -12.685 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -2.342 -2.783 -10.036 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -1.449 -2.467 -11.510 1.00 0.00 H new ATOM 859 N SER A 149 -4.656 0.250 -9.172 1.00 0.00 N ATOM 860 CA SER A 149 -5.611 0.407 -8.039 1.00 0.00 C ATOM 861 C SER A 149 -6.177 -0.963 -7.656 1.00 0.00 C ATOM 862 O SER A 149 -7.358 -1.218 -7.793 1.00 0.00 O ATOM 863 CB SER A 149 -6.754 1.330 -8.462 1.00 0.00 C ATOM 864 OG SER A 149 -6.256 2.653 -8.616 1.00 0.00 O ATOM 0 H SER A 149 -3.721 0.625 -9.008 1.00 0.00 H new ATOM 0 HA SER A 149 -5.093 0.838 -7.183 1.00 0.00 H new ATOM 0 HB2 SER A 149 -7.191 0.982 -9.398 1.00 0.00 H new ATOM 0 HB3 SER A 149 -7.547 1.312 -7.714 1.00 0.00 H new ATOM 0 HG SER A 149 -6.986 3.248 -8.889 1.00 0.00 H new ATOM 870 N LEU A 150 -5.344 -1.847 -7.181 1.00 0.00 N ATOM 871 CA LEU A 150 -5.834 -3.201 -6.794 1.00 0.00 C ATOM 872 C LEU A 150 -6.286 -3.186 -5.332 1.00 0.00 C ATOM 873 O LEU A 150 -6.140 -4.158 -4.618 1.00 0.00 O ATOM 874 CB LEU A 150 -4.704 -4.217 -6.967 1.00 0.00 C ATOM 875 CG LEU A 150 -5.091 -5.232 -8.043 1.00 0.00 C ATOM 876 CD1 LEU A 150 -5.241 -4.518 -9.388 1.00 0.00 C ATOM 877 CD2 LEU A 150 -3.999 -6.299 -8.152 1.00 0.00 C ATOM 0 H LEU A 150 -4.345 -1.691 -7.044 1.00 0.00 H new ATOM 0 HA LEU A 150 -6.676 -3.477 -7.429 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -3.782 -3.707 -7.248 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -4.512 -4.727 -6.023 1.00 0.00 H new ATOM 0 HG LEU A 150 -6.036 -5.704 -7.775 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -5.517 -5.241 -10.155 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -6.017 -3.757 -9.311 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -4.296 -4.047 -9.657 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -4.273 -7.023 -8.919 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -3.054 -5.827 -8.421 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -3.891 -6.808 -7.194 1.00 0.00 H new ATOM 889 N CYS A 151 -6.835 -2.091 -4.880 1.00 0.00 N ATOM 890 CA CYS A 151 -7.295 -2.022 -3.464 1.00 0.00 C ATOM 891 C CYS A 151 -8.784 -2.370 -3.392 1.00 0.00 C ATOM 892 O CYS A 151 -9.625 -1.642 -3.879 1.00 0.00 O ATOM 893 CB CYS A 151 -7.076 -0.607 -2.923 1.00 0.00 C ATOM 894 SG CYS A 151 -6.806 -0.680 -1.135 1.00 0.00 S ATOM 0 H CYS A 151 -6.984 -1.244 -5.428 1.00 0.00 H new ATOM 0 HA CYS A 151 -6.726 -2.732 -2.864 1.00 0.00 H new ATOM 0 HB2 CYS A 151 -6.217 -0.148 -3.413 1.00 0.00 H new ATOM 0 HB3 CYS A 151 -7.941 0.017 -3.146 1.00 0.00 H new ATOM 0 HG CYS A 151 -6.034 -1.687 -0.854 1.00 0.00 H new