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= -10.9! C(o=-13!,f=-20!) USER MOD Set 1.2: A 132 CYS SG : rot -11:sc= -0.0857 USER MOD Set 1.3: A 134 CYS SG : rot -22:sc= 0.0079 USER MOD Set 1.4: A 135 CYS SG : rot -52:sc= 0.156 USER MOD Set 1.5: A 151 CYS SG : rot -96:sc= -2.25 USER MOD Set 2.1: A 115 CYS SG : rot 124:sc= 0.497 USER MOD Set 2.2: A 117 HIS : no HD1:sc= -0.0673 X(o=-24,f=-25) USER MOD Set 2.3: A 118 CYS SG : rot -58:sc= -4.83! USER MOD Set 2.4: A 140 HIS : no HE2:sc= -17.6! C(o=-24!,f=-29!) USER MOD Set 2.5: A 143 CYS SG : rot 60:sc= -2.01! USER MOD Set 3.1: A 108 SER OG : rot 180:sc= -0.0213 USER MOD Set 3.2: A 127 HIS : no HD1:sc= -1.29 K(o=-5.1,f=-6.7) USER MOD Set 3.3: A 128 GLN : amide:sc= -3.81! C(o=-5.1!,f=-17!) USER MOD Set 4.1: A 107 HIS : no HD1:sc= 0 X(o=-0.96,f=-0.96) USER MOD Set 4.2: A 109 TYR OH : rot 15:sc= -0.957 USER MOD Set 4.3: A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 20:sc= 0.156 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 130 MET CE :methyl -152:sc= -0.0949 (180deg=-0.348) USER MOD Single : A 133 SER OG : rot 87:sc= 0.869 USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.8) 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 -5.666 2.663 -3.077 1.00 0.00 N ATOM 133 CA HIS A 102 -4.996 2.227 -1.820 1.00 0.00 C ATOM 134 C HIS A 102 -4.598 3.456 -1.000 1.00 0.00 C ATOM 135 O HIS A 102 -4.267 4.493 -1.539 1.00 0.00 O ATOM 136 CB HIS A 102 -3.738 1.424 -2.159 1.00 0.00 C ATOM 137 CG HIS A 102 -4.102 0.252 -3.028 1.00 0.00 C ATOM 138 ND1 HIS A 102 -4.636 -0.916 -2.508 1.00 0.00 N ATOM 139 CD2 HIS A 102 -4.004 0.048 -4.382 1.00 0.00 C ATOM 140 CE1 HIS A 102 -4.836 -1.763 -3.534 1.00 0.00 C ATOM 141 NE2 HIS A 102 -4.469 -1.224 -4.700 1.00 0.00 N ATOM 0 HA HIS A 102 -5.683 1.606 -1.245 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -3.017 2.060 -2.673 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -3.260 1.075 -1.244 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -4.840 -1.100 -1.526 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -3.623 0.766 -5.093 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -5.244 -2.757 -3.428 1.00 0.00 H new ATOM 148 N LYS A 103 -4.619 3.344 0.299 1.00 0.00 N ATOM 149 CA LYS A 103 -4.230 4.501 1.151 1.00 0.00 C ATOM 150 C LYS A 103 -2.725 4.441 1.407 1.00 0.00 C ATOM 151 O LYS A 103 -2.266 4.586 2.524 1.00 0.00 O ATOM 152 CB LYS A 103 -4.980 4.431 2.483 1.00 0.00 C ATOM 153 CG LYS A 103 -6.269 5.249 2.388 1.00 0.00 C ATOM 154 CD LYS A 103 -6.658 5.755 3.778 1.00 0.00 C ATOM 155 CE LYS A 103 -6.885 7.267 3.726 1.00 0.00 C ATOM 156 NZ LYS A 103 -7.136 7.779 5.103 1.00 0.00 N ATOM 0 H LYS A 103 -4.889 2.501 0.807 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.483 5.434 0.647 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.212 3.394 2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.352 4.815 3.287 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.129 6.090 1.710 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.071 4.637 1.975 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.563 5.252 4.119 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.872 5.519 4.496 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.014 7.762 3.296 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.733 7.496 3.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.290 8.807 5.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.979 7.315 5.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.314 7.573 5.705 1.00 0.00 H new ATOM 170 N PHE A 104 -1.954 4.218 0.377 1.00 0.00 N ATOM 171 CA PHE A 104 -0.476 4.134 0.543 1.00 0.00 C ATOM 172 C PHE A 104 0.003 5.207 1.523 1.00 0.00 C ATOM 173 O PHE A 104 -0.363 6.361 1.426 1.00 0.00 O ATOM 174 CB PHE A 104 0.202 4.346 -0.812 1.00 0.00 C ATOM 175 CG PHE A 104 0.031 3.109 -1.661 1.00 0.00 C ATOM 176 CD1 PHE A 104 0.503 1.873 -1.199 1.00 0.00 C ATOM 177 CD2 PHE A 104 -0.597 3.197 -2.909 1.00 0.00 C ATOM 178 CE1 PHE A 104 0.346 0.725 -1.987 1.00 0.00 C ATOM 179 CE2 PHE A 104 -0.755 2.049 -3.698 1.00 0.00 C ATOM 180 CZ PHE A 104 -0.284 0.813 -3.236 1.00 0.00 C ATOM 0 H PHE A 104 -2.288 4.090 -0.578 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.217 3.150 0.934 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.232 5.209 -1.317 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.262 4.559 -0.671 1.00 0.00 H new ATOM 0 HD1 PHE A 104 0.987 1.805 -0.236 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.960 4.150 -3.264 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.710 -0.228 -1.632 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.239 2.117 -4.661 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.406 -0.072 -3.842 1.00 0.00 H new ATOM 190 N ARG A 105 0.824 4.830 2.463 1.00 0.00 N ATOM 191 CA ARG A 105 1.337 5.819 3.451 1.00 0.00 C ATOM 192 C ARG A 105 2.731 5.387 3.910 1.00 0.00 C ATOM 193 O ARG A 105 2.892 4.374 4.561 1.00 0.00 O ATOM 194 CB ARG A 105 0.396 5.872 4.656 1.00 0.00 C ATOM 195 CG ARG A 105 0.681 7.133 5.473 1.00 0.00 C ATOM 196 CD ARG A 105 0.690 6.784 6.963 1.00 0.00 C ATOM 197 NE ARG A 105 0.114 7.916 7.742 1.00 0.00 N ATOM 198 CZ ARG A 105 0.096 7.869 9.045 1.00 0.00 C ATOM 199 NH1 ARG A 105 0.005 6.719 9.656 1.00 0.00 N ATOM 200 NH2 ARG A 105 0.170 8.972 9.739 1.00 0.00 N ATOM 0 H ARG A 105 1.163 3.876 2.590 1.00 0.00 H new ATOM 0 HA ARG A 105 1.389 6.806 2.992 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -0.641 5.870 4.321 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.532 4.986 5.276 1.00 0.00 H new ATOM 0 HG2 ARG A 105 1.642 7.558 5.182 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.077 7.890 5.270 1.00 0.00 H new ATOM 0 HD2 ARG A 105 0.112 5.877 7.138 1.00 0.00 H new ATOM 0 HD3 ARG A 105 1.709 6.582 7.294 1.00 0.00 H new ATOM 0 HE ARG A 105 -0.266 8.728 7.256 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -0.052 5.857 9.114 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -0.009 6.683 10.675 1.00 0.00 H new ATOM 0 HH21 ARG A 105 0.242 9.871 9.262 1.00 0.00 H new ATOM 0 HH22 ARG A 105 0.156 8.935 10.758 1.00 0.00 H new ATOM 214 N LEU A 106 3.740 6.141 3.573 1.00 0.00 N ATOM 215 CA LEU A 106 5.117 5.765 3.990 1.00 0.00 C ATOM 216 C LEU A 106 5.143 5.545 5.504 1.00 0.00 C ATOM 217 O LEU A 106 4.763 6.402 6.275 1.00 0.00 O ATOM 218 CB LEU A 106 6.092 6.882 3.608 1.00 0.00 C ATOM 219 CG LEU A 106 5.913 8.071 4.550 1.00 0.00 C ATOM 220 CD1 LEU A 106 6.846 9.207 4.123 1.00 0.00 C ATOM 221 CD2 LEU A 106 4.464 8.557 4.496 1.00 0.00 C ATOM 0 H LEU A 106 3.670 7.000 3.028 1.00 0.00 H new ATOM 0 HA LEU A 106 5.415 4.846 3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.117 6.516 3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.917 7.193 2.578 1.00 0.00 H new ATOM 0 HG LEU A 106 6.154 7.763 5.567 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.718 10.055 4.795 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.880 8.864 4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.606 9.512 3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.339 9.405 5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.220 8.862 3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.798 7.750 4.802 1.00 0.00 H new ATOM 233 N HIS A 107 5.583 4.396 5.932 1.00 0.00 N ATOM 234 CA HIS A 107 5.631 4.115 7.395 1.00 0.00 C ATOM 235 C HIS A 107 7.080 4.182 7.880 1.00 0.00 C ATOM 236 O HIS A 107 7.988 4.450 7.119 1.00 0.00 O ATOM 237 CB HIS A 107 5.070 2.719 7.667 1.00 0.00 C ATOM 238 CG HIS A 107 3.924 2.819 8.637 1.00 0.00 C ATOM 239 ND1 HIS A 107 2.634 3.125 8.229 1.00 0.00 N ATOM 240 CD2 HIS A 107 3.858 2.654 9.997 1.00 0.00 C ATOM 241 CE1 HIS A 107 1.854 3.136 9.326 1.00 0.00 C ATOM 242 NE2 HIS A 107 2.550 2.855 10.431 1.00 0.00 N ATOM 0 H HIS A 107 5.912 3.639 5.333 1.00 0.00 H new ATOM 0 HA HIS A 107 5.034 4.857 7.925 1.00 0.00 H new ATOM 0 HB2 HIS A 107 4.734 2.263 6.736 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.850 2.075 8.074 1.00 0.00 H new ATOM 0 HD2 HIS A 107 4.694 2.406 10.635 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.795 3.346 9.314 1.00 0.00 H new ATOM 0 HE2 HIS A 107 2.199 2.800 11.387 1.00 0.00 H new ATOM 250 N SER A 108 7.302 3.944 9.143 1.00 0.00 N ATOM 251 CA SER A 108 8.693 3.996 9.675 1.00 0.00 C ATOM 252 C SER A 108 8.886 2.899 10.725 1.00 0.00 C ATOM 253 O SER A 108 8.927 3.162 11.910 1.00 0.00 O ATOM 254 CB SER A 108 8.942 5.362 10.316 1.00 0.00 C ATOM 255 OG SER A 108 8.161 6.343 9.646 1.00 0.00 O ATOM 0 H SER A 108 6.582 3.716 9.829 1.00 0.00 H new ATOM 0 HA SER A 108 9.397 3.841 8.858 1.00 0.00 H new ATOM 0 HB2 SER A 108 8.682 5.333 11.374 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.000 5.618 10.255 1.00 0.00 H new ATOM 0 HG SER A 108 8.317 7.220 10.055 1.00 0.00 H new ATOM 261 N TYR A 109 9.009 1.671 10.299 1.00 0.00 N ATOM 262 CA TYR A 109 9.206 0.562 11.277 1.00 0.00 C ATOM 263 C TYR A 109 10.675 0.521 11.702 1.00 0.00 C ATOM 264 O TYR A 109 10.995 0.535 12.873 1.00 0.00 O ATOM 265 CB TYR A 109 8.833 -0.776 10.630 1.00 0.00 C ATOM 266 CG TYR A 109 7.740 -0.569 9.609 1.00 0.00 C ATOM 267 CD1 TYR A 109 6.397 -0.569 10.009 1.00 0.00 C ATOM 268 CD2 TYR A 109 8.069 -0.385 8.258 1.00 0.00 C ATOM 269 CE1 TYR A 109 5.383 -0.384 9.059 1.00 0.00 C ATOM 270 CE2 TYR A 109 7.054 -0.200 7.309 1.00 0.00 C ATOM 271 CZ TYR A 109 5.712 -0.200 7.710 1.00 0.00 C ATOM 272 OH TYR A 109 4.712 -0.018 6.775 1.00 0.00 O ATOM 0 H TYR A 109 8.982 1.388 9.319 1.00 0.00 H new ATOM 0 HA TYR A 109 8.571 0.732 12.146 1.00 0.00 H new ATOM 0 HB2 TYR A 109 9.709 -1.215 10.153 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.500 -1.479 11.394 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.143 -0.712 11.049 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.104 -0.386 7.949 1.00 0.00 H new ATOM 0 HE1 TYR A 109 4.348 -0.383 9.367 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.307 -0.057 6.269 1.00 0.00 H new ATOM 0 HH TYR A 109 3.871 0.193 7.232 1.00 0.00 H new ATOM 282 N SER A 110 11.568 0.466 10.753 1.00 0.00 N ATOM 283 CA SER A 110 13.019 0.419 11.089 1.00 0.00 C ATOM 284 C SER A 110 13.809 0.064 9.828 1.00 0.00 C ATOM 285 O SER A 110 14.947 0.456 9.662 1.00 0.00 O ATOM 286 CB SER A 110 13.262 -0.642 12.163 1.00 0.00 C ATOM 287 OG SER A 110 14.617 -1.066 12.104 1.00 0.00 O ATOM 0 H SER A 110 11.355 0.452 9.756 1.00 0.00 H new ATOM 0 HA SER A 110 13.343 1.389 11.466 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.038 -0.236 13.149 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.596 -1.491 12.009 1.00 0.00 H new ATOM 0 HG SER A 110 14.777 -1.745 12.792 1.00 0.00 H new ATOM 293 N SER A 111 13.207 -0.674 8.938 1.00 0.00 N ATOM 294 CA SER A 111 13.908 -1.059 7.681 1.00 0.00 C ATOM 295 C SER A 111 12.884 -1.144 6.545 1.00 0.00 C ATOM 296 O SER A 111 11.696 -1.202 6.790 1.00 0.00 O ATOM 297 CB SER A 111 14.580 -2.420 7.866 1.00 0.00 C ATOM 298 OG SER A 111 15.858 -2.236 8.459 1.00 0.00 O ATOM 0 H SER A 111 12.255 -1.029 9.027 1.00 0.00 H new ATOM 0 HA SER A 111 14.666 -0.314 7.439 1.00 0.00 H new ATOM 0 HB2 SER A 111 13.963 -3.060 8.496 1.00 0.00 H new ATOM 0 HB3 SER A 111 14.682 -2.922 6.904 1.00 0.00 H new ATOM 0 HG SER A 111 15.893 -1.360 8.896 1.00 0.00 H new ATOM 304 N PRO A 112 13.376 -1.146 5.334 1.00 0.00 N ATOM 305 CA PRO A 112 12.524 -1.221 4.136 1.00 0.00 C ATOM 306 C PRO A 112 12.030 -2.652 3.912 1.00 0.00 C ATOM 307 O PRO A 112 12.790 -3.599 3.956 1.00 0.00 O ATOM 308 CB PRO A 112 13.451 -0.766 3.005 1.00 0.00 C ATOM 309 CG PRO A 112 14.897 -0.994 3.506 1.00 0.00 C ATOM 310 CD PRO A 112 14.824 -1.076 5.045 1.00 0.00 C ATOM 0 HA PRO A 112 11.625 -0.609 4.210 1.00 0.00 H new ATOM 0 HB2 PRO A 112 13.261 -1.335 2.095 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.284 0.284 2.765 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.311 -1.912 3.089 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.549 -0.179 3.192 1.00 0.00 H new ATOM 0 HD2 PRO A 112 15.349 -1.954 5.423 1.00 0.00 H new ATOM 0 HD3 PRO A 112 15.282 -0.205 5.513 1.00 0.00 H new ATOM 318 N THR A 113 10.758 -2.810 3.669 1.00 0.00 N ATOM 319 CA THR A 113 10.201 -4.172 3.440 1.00 0.00 C ATOM 320 C THR A 113 10.284 -4.498 1.952 1.00 0.00 C ATOM 321 O THR A 113 10.698 -3.685 1.152 1.00 0.00 O ATOM 322 CB THR A 113 8.739 -4.210 3.890 1.00 0.00 C ATOM 323 OG1 THR A 113 8.550 -3.284 4.951 1.00 0.00 O ATOM 324 CG2 THR A 113 8.388 -5.618 4.372 1.00 0.00 C ATOM 0 H THR A 113 10.078 -2.051 3.619 1.00 0.00 H new ATOM 0 HA THR A 113 10.772 -4.904 4.011 1.00 0.00 H new ATOM 0 HB THR A 113 8.093 -3.944 3.053 1.00 0.00 H new ATOM 0 HG1 THR A 113 7.614 -3.305 5.240 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.346 -5.644 4.692 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.535 -6.328 3.558 1.00 0.00 H new ATOM 0 HG23 THR A 113 9.032 -5.887 5.209 1.00 0.00 H new ATOM 332 N PHE A 114 9.901 -5.682 1.574 1.00 0.00 N ATOM 333 CA PHE A 114 9.970 -6.054 0.135 1.00 0.00 C ATOM 334 C PHE A 114 8.778 -5.452 -0.611 1.00 0.00 C ATOM 335 O PHE A 114 7.817 -5.008 -0.016 1.00 0.00 O ATOM 336 CB PHE A 114 9.944 -7.578 -0.001 1.00 0.00 C ATOM 337 CG PHE A 114 11.277 -8.143 0.426 1.00 0.00 C ATOM 338 CD1 PHE A 114 11.594 -8.242 1.788 1.00 0.00 C ATOM 339 CD2 PHE A 114 12.200 -8.566 -0.541 1.00 0.00 C ATOM 340 CE1 PHE A 114 12.832 -8.765 2.183 1.00 0.00 C ATOM 341 CE2 PHE A 114 13.438 -9.089 -0.145 1.00 0.00 C ATOM 342 CZ PHE A 114 13.755 -9.188 1.217 1.00 0.00 C ATOM 0 H PHE A 114 9.544 -6.407 2.196 1.00 0.00 H new ATOM 0 HA PHE A 114 10.895 -5.667 -0.294 1.00 0.00 H new ATOM 0 HB2 PHE A 114 9.146 -7.995 0.613 1.00 0.00 H new ATOM 0 HB3 PHE A 114 9.732 -7.858 -1.033 1.00 0.00 H new ATOM 0 HD1 PHE A 114 10.884 -7.915 2.533 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.957 -8.489 -1.590 1.00 0.00 H new ATOM 0 HE1 PHE A 114 13.075 -8.842 3.232 1.00 0.00 H new ATOM 0 HE2 PHE A 114 14.149 -9.416 -0.890 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.710 -9.590 1.522 1.00 0.00 H new ATOM 352 N CYS A 115 8.843 -5.424 -1.914 1.00 0.00 N ATOM 353 CA CYS A 115 7.728 -4.840 -2.709 1.00 0.00 C ATOM 354 C CYS A 115 6.826 -5.960 -3.233 1.00 0.00 C ATOM 355 O CYS A 115 7.282 -7.036 -3.568 1.00 0.00 O ATOM 356 CB CYS A 115 8.320 -4.057 -3.879 1.00 0.00 C ATOM 357 SG CYS A 115 7.005 -3.298 -4.858 1.00 0.00 S ATOM 0 H CYS A 115 9.624 -5.782 -2.464 1.00 0.00 H new ATOM 0 HA CYS A 115 7.132 -4.175 -2.084 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.995 -3.287 -3.505 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.912 -4.722 -4.507 1.00 0.00 H new ATOM 0 HG CYS A 115 7.205 -2.016 -4.933 1.00 0.00 H new ATOM 362 N ASP A 116 5.548 -5.715 -3.299 1.00 0.00 N ATOM 363 CA ASP A 116 4.605 -6.765 -3.788 1.00 0.00 C ATOM 364 C ASP A 116 4.330 -6.569 -5.281 1.00 0.00 C ATOM 365 O ASP A 116 3.848 -7.459 -5.954 1.00 0.00 O ATOM 366 CB ASP A 116 3.289 -6.666 -3.014 1.00 0.00 C ATOM 367 CG ASP A 116 2.715 -5.255 -3.159 1.00 0.00 C ATOM 368 OD1 ASP A 116 2.977 -4.632 -4.175 1.00 0.00 O ATOM 369 OD2 ASP A 116 2.023 -4.822 -2.253 1.00 0.00 O ATOM 0 H ASP A 116 5.112 -4.831 -3.035 1.00 0.00 H new ATOM 0 HA ASP A 116 5.053 -7.747 -3.632 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.577 -7.400 -3.391 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.456 -6.896 -1.962 1.00 0.00 H new ATOM 374 N HIS A 117 4.626 -5.413 -5.803 1.00 0.00 N ATOM 375 CA HIS A 117 4.375 -5.164 -7.249 1.00 0.00 C ATOM 376 C HIS A 117 5.605 -5.578 -8.063 1.00 0.00 C ATOM 377 O HIS A 117 5.494 -5.996 -9.198 1.00 0.00 O ATOM 378 CB HIS A 117 4.095 -3.675 -7.468 1.00 0.00 C ATOM 379 CG HIS A 117 4.112 -3.371 -8.941 1.00 0.00 C ATOM 380 ND1 HIS A 117 3.009 -3.584 -9.752 1.00 0.00 N ATOM 381 CD2 HIS A 117 5.089 -2.868 -9.763 1.00 0.00 C ATOM 382 CE1 HIS A 117 3.346 -3.215 -11.002 1.00 0.00 C ATOM 383 NE2 HIS A 117 4.604 -2.771 -11.064 1.00 0.00 N ATOM 0 H HIS A 117 5.031 -4.629 -5.291 1.00 0.00 H new ATOM 0 HA HIS A 117 3.514 -5.748 -7.573 1.00 0.00 H new ATOM 0 HB2 HIS A 117 3.127 -3.410 -7.043 1.00 0.00 H new ATOM 0 HB3 HIS A 117 4.845 -3.074 -6.953 1.00 0.00 H new ATOM 0 HD2 HIS A 117 6.084 -2.590 -9.448 1.00 0.00 H new ATOM 0 HE1 HIS A 117 2.681 -3.271 -11.851 1.00 0.00 H new ATOM 0 HE2 HIS A 117 5.102 -2.433 -11.888 1.00 0.00 H new ATOM 391 N CYS A 118 6.776 -5.469 -7.496 1.00 0.00 N ATOM 392 CA CYS A 118 8.000 -5.863 -8.252 1.00 0.00 C ATOM 393 C CYS A 118 8.754 -6.954 -7.484 1.00 0.00 C ATOM 394 O CYS A 118 9.565 -7.665 -8.041 1.00 0.00 O ATOM 395 CB CYS A 118 8.902 -4.642 -8.444 1.00 0.00 C ATOM 396 SG CYS A 118 9.357 -3.960 -6.831 1.00 0.00 S ATOM 0 H CYS A 118 6.938 -5.127 -6.549 1.00 0.00 H new ATOM 0 HA CYS A 118 7.711 -6.251 -9.229 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.798 -4.923 -8.997 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.386 -3.886 -9.037 1.00 0.00 H new ATOM 0 HG CYS A 118 8.281 -3.642 -6.175 1.00 0.00 H new ATOM 401 N GLY A 119 8.491 -7.099 -6.212 1.00 0.00 N ATOM 402 CA GLY A 119 9.191 -8.154 -5.422 1.00 0.00 C ATOM 403 C GLY A 119 10.622 -7.713 -5.108 1.00 0.00 C ATOM 404 O GLY A 119 11.489 -8.526 -4.856 1.00 0.00 O ATOM 0 H GLY A 119 7.823 -6.534 -5.687 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.649 -8.345 -4.496 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.205 -9.089 -5.982 1.00 0.00 H new ATOM 408 N SER A 120 10.879 -6.435 -5.118 1.00 0.00 N ATOM 409 CA SER A 120 12.256 -5.950 -4.817 1.00 0.00 C ATOM 410 C SER A 120 12.245 -5.165 -3.502 1.00 0.00 C ATOM 411 O SER A 120 11.311 -4.443 -3.208 1.00 0.00 O ATOM 412 CB SER A 120 12.736 -5.040 -5.948 1.00 0.00 C ATOM 413 OG SER A 120 12.658 -5.744 -7.180 1.00 0.00 O ATOM 0 H SER A 120 10.196 -5.705 -5.321 1.00 0.00 H new ATOM 0 HA SER A 120 12.929 -6.803 -4.726 1.00 0.00 H new ATOM 0 HB2 SER A 120 12.124 -4.139 -5.991 1.00 0.00 H new ATOM 0 HB3 SER A 120 13.761 -4.720 -5.763 1.00 0.00 H new ATOM 0 HG SER A 120 12.963 -5.164 -7.908 1.00 0.00 H new ATOM 419 N LEU A 121 13.273 -5.296 -2.709 1.00 0.00 N ATOM 420 CA LEU A 121 13.315 -4.554 -1.417 1.00 0.00 C ATOM 421 C LEU A 121 13.238 -3.051 -1.676 1.00 0.00 C ATOM 422 O LEU A 121 13.795 -2.542 -2.628 1.00 0.00 O ATOM 423 CB LEU A 121 14.613 -4.874 -0.674 1.00 0.00 C ATOM 424 CG LEU A 121 14.384 -6.057 0.266 1.00 0.00 C ATOM 425 CD1 LEU A 121 15.716 -6.751 0.551 1.00 0.00 C ATOM 426 CD2 LEU A 121 13.781 -5.547 1.579 1.00 0.00 C ATOM 0 H LEU A 121 14.085 -5.884 -2.899 1.00 0.00 H new ATOM 0 HA LEU A 121 12.464 -4.860 -0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.404 -5.110 -1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 121 14.944 -4.004 -0.107 1.00 0.00 H new ATOM 0 HG LEU A 121 13.701 -6.767 -0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 121 15.551 -7.594 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 121 16.147 -7.110 -0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 121 16.402 -6.044 1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 121 13.615 -6.387 2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 121 14.467 -4.838 2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 121 12.831 -5.052 1.375 1.00 0.00 H new ATOM 438 N LEU A 122 12.552 -2.340 -0.827 1.00 0.00 N ATOM 439 CA LEU A 122 12.433 -0.866 -1.008 1.00 0.00 C ATOM 440 C LEU A 122 13.720 -0.193 -0.530 1.00 0.00 C ATOM 441 O LEU A 122 13.858 0.151 0.628 1.00 0.00 O ATOM 442 CB LEU A 122 11.250 -0.344 -0.187 1.00 0.00 C ATOM 443 CG LEU A 122 10.041 -1.261 -0.387 1.00 0.00 C ATOM 444 CD1 LEU A 122 9.138 -1.193 0.845 1.00 0.00 C ATOM 445 CD2 LEU A 122 9.256 -0.805 -1.619 1.00 0.00 C ATOM 0 H LEU A 122 12.067 -2.717 -0.013 1.00 0.00 H new ATOM 0 HA LEU A 122 12.271 -0.640 -2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 122 11.517 -0.303 0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 122 11.003 0.673 -0.493 1.00 0.00 H new ATOM 0 HG LEU A 122 10.382 -2.286 -0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.277 -1.846 0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 122 9.696 -1.516 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 122 8.796 -0.168 0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.394 -1.457 -1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.915 0.220 -1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.899 -0.853 -2.498 1.00 0.00 H new ATOM 457 N TYR A 123 14.665 -0.004 -1.409 1.00 0.00 N ATOM 458 CA TYR A 123 15.944 0.644 -1.005 1.00 0.00 C ATOM 459 C TYR A 123 15.643 1.844 -0.103 1.00 0.00 C ATOM 460 O TYR A 123 14.537 2.343 -0.068 1.00 0.00 O ATOM 461 CB TYR A 123 16.693 1.120 -2.251 1.00 0.00 C ATOM 462 CG TYR A 123 17.562 0.002 -2.774 1.00 0.00 C ATOM 463 CD1 TYR A 123 16.993 -1.240 -3.092 1.00 0.00 C ATOM 464 CD2 TYR A 123 18.939 0.204 -2.943 1.00 0.00 C ATOM 465 CE1 TYR A 123 17.799 -2.277 -3.578 1.00 0.00 C ATOM 466 CE2 TYR A 123 19.745 -0.834 -3.429 1.00 0.00 C ATOM 467 CZ TYR A 123 19.176 -2.074 -3.747 1.00 0.00 C ATOM 468 OH TYR A 123 19.971 -3.096 -4.226 1.00 0.00 O ATOM 0 H TYR A 123 14.606 -0.271 -2.392 1.00 0.00 H new ATOM 0 HA TYR A 123 16.560 -0.075 -0.464 1.00 0.00 H new ATOM 0 HB2 TYR A 123 15.984 1.432 -3.017 1.00 0.00 H new ATOM 0 HB3 TYR A 123 17.306 1.989 -2.010 1.00 0.00 H new ATOM 0 HD1 TYR A 123 15.932 -1.397 -2.962 1.00 0.00 H new ATOM 0 HD2 TYR A 123 19.379 1.160 -2.699 1.00 0.00 H new ATOM 0 HE1 TYR A 123 17.360 -3.233 -3.823 1.00 0.00 H new ATOM 0 HE2 TYR A 123 20.806 -0.678 -3.559 1.00 0.00 H new ATOM 0 HH TYR A 123 20.900 -2.788 -4.284 1.00 0.00 H new ATOM 478 N GLY A 124 16.620 2.312 0.625 1.00 0.00 N ATOM 479 CA GLY A 124 16.387 3.479 1.521 1.00 0.00 C ATOM 480 C GLY A 124 15.969 4.688 0.683 1.00 0.00 C ATOM 481 O GLY A 124 15.489 5.678 1.199 1.00 0.00 O ATOM 0 H GLY A 124 17.568 1.937 0.638 1.00 0.00 H new ATOM 0 HA2 GLY A 124 15.612 3.243 2.250 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.293 3.707 2.082 1.00 0.00 H new ATOM 485 N LEU A 125 16.149 4.616 -0.607 1.00 0.00 N ATOM 486 CA LEU A 125 15.764 5.760 -1.480 1.00 0.00 C ATOM 487 C LEU A 125 14.286 6.093 -1.269 1.00 0.00 C ATOM 488 O LEU A 125 13.833 7.175 -1.586 1.00 0.00 O ATOM 489 CB LEU A 125 15.994 5.383 -2.945 1.00 0.00 C ATOM 490 CG LEU A 125 17.494 5.230 -3.204 1.00 0.00 C ATOM 491 CD1 LEU A 125 17.732 4.984 -4.695 1.00 0.00 C ATOM 492 CD2 LEU A 125 18.216 6.511 -2.778 1.00 0.00 C ATOM 0 H LEU A 125 16.547 3.813 -1.095 1.00 0.00 H new ATOM 0 HA LEU A 125 16.372 6.628 -1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 125 15.477 4.452 -3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 125 15.578 6.150 -3.598 1.00 0.00 H new ATOM 0 HG LEU A 125 17.878 4.386 -2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 125 18.801 4.875 -4.880 1.00 0.00 H new ATOM 0 HD12 LEU A 125 17.216 4.074 -5.000 1.00 0.00 H new ATOM 0 HD13 LEU A 125 17.349 5.828 -5.269 1.00 0.00 H new ATOM 0 HD21 LEU A 125 19.285 6.404 -2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 125 17.831 7.354 -3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 125 18.046 6.688 -1.716 1.00 0.00 H new ATOM 504 N VAL A 126 13.527 5.173 -0.739 1.00 0.00 N ATOM 505 CA VAL A 126 12.080 5.445 -0.513 1.00 0.00 C ATOM 506 C VAL A 126 11.733 5.187 0.953 1.00 0.00 C ATOM 507 O VAL A 126 10.859 4.402 1.265 1.00 0.00 O ATOM 508 CB VAL A 126 11.242 4.526 -1.403 1.00 0.00 C ATOM 509 CG1 VAL A 126 11.520 4.846 -2.873 1.00 0.00 C ATOM 510 CG2 VAL A 126 11.611 3.068 -1.121 1.00 0.00 C ATOM 0 H VAL A 126 13.846 4.247 -0.453 1.00 0.00 H new ATOM 0 HA VAL A 126 11.865 6.485 -0.759 1.00 0.00 H new ATOM 0 HB VAL A 126 10.184 4.682 -1.191 1.00 0.00 H new ATOM 0 HG11 VAL A 126 10.923 4.191 -3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 126 11.258 5.885 -3.075 1.00 0.00 H new ATOM 0 HG13 VAL A 126 12.578 4.691 -3.085 1.00 0.00 H new ATOM 0 HG21 VAL A 126 11.014 2.412 -1.755 1.00 0.00 H new ATOM 0 HG22 VAL A 126 12.669 2.913 -1.333 1.00 0.00 H new ATOM 0 HG23 VAL A 126 11.413 2.839 -0.074 1.00 0.00 H new ATOM 520 N HIS A 127 12.411 5.842 1.856 1.00 0.00 N ATOM 521 CA HIS A 127 12.120 5.633 3.303 1.00 0.00 C ATOM 522 C HIS A 127 11.952 4.137 3.573 1.00 0.00 C ATOM 523 O HIS A 127 12.576 3.308 2.940 1.00 0.00 O ATOM 524 CB HIS A 127 10.832 6.370 3.674 1.00 0.00 C ATOM 525 CG HIS A 127 10.958 6.933 5.062 1.00 0.00 C ATOM 526 ND1 HIS A 127 9.956 6.796 6.010 1.00 0.00 N ATOM 527 CD2 HIS A 127 11.964 7.638 5.679 1.00 0.00 C ATOM 528 CE1 HIS A 127 10.375 7.404 7.135 1.00 0.00 C ATOM 529 NE2 HIS A 127 11.593 7.934 6.987 1.00 0.00 N ATOM 0 H HIS A 127 13.153 6.512 1.655 1.00 0.00 H new ATOM 0 HA HIS A 127 12.943 6.020 3.903 1.00 0.00 H new ATOM 0 HB2 HIS A 127 10.641 7.172 2.961 1.00 0.00 H new ATOM 0 HB3 HIS A 127 9.983 5.689 3.622 1.00 0.00 H new ATOM 0 HD2 HIS A 127 12.900 7.919 5.219 1.00 0.00 H new ATOM 0 HE1 HIS A 127 9.798 7.457 8.046 1.00 0.00 H new ATOM 0 HE2 HIS A 127 12.135 8.446 7.684 1.00 0.00 H new ATOM 537 N GLN A 128 11.110 3.782 4.505 1.00 0.00 N ATOM 538 CA GLN A 128 10.904 2.338 4.808 1.00 0.00 C ATOM 539 C GLN A 128 10.133 1.687 3.657 1.00 0.00 C ATOM 540 O GLN A 128 10.611 0.774 3.013 1.00 0.00 O ATOM 541 CB GLN A 128 10.103 2.198 6.104 1.00 0.00 C ATOM 542 CG GLN A 128 11.061 2.168 7.297 1.00 0.00 C ATOM 543 CD GLN A 128 11.411 3.599 7.707 1.00 0.00 C ATOM 544 OE1 GLN A 128 10.998 4.546 7.069 1.00 0.00 O ATOM 545 NE2 GLN A 128 12.160 3.798 8.758 1.00 0.00 N ATOM 0 H GLN A 128 10.557 4.428 5.068 1.00 0.00 H new ATOM 0 HA GLN A 128 11.870 1.846 4.926 1.00 0.00 H new ATOM 0 HB2 GLN A 128 9.406 3.030 6.205 1.00 0.00 H new ATOM 0 HB3 GLN A 128 9.508 1.285 6.079 1.00 0.00 H new ATOM 0 HG2 GLN A 128 10.601 1.641 8.133 1.00 0.00 H new ATOM 0 HG3 GLN A 128 11.967 1.621 7.036 1.00 0.00 H new ATOM 0 HE21 GLN A 128 12.507 3.003 9.295 1.00 0.00 H new ATOM 0 HE22 GLN A 128 12.398 4.748 9.042 1.00 0.00 H new ATOM 554 N GLY A 129 8.944 2.150 3.391 1.00 0.00 N ATOM 555 CA GLY A 129 8.144 1.560 2.282 1.00 0.00 C ATOM 556 C GLY A 129 6.724 2.122 2.328 1.00 0.00 C ATOM 557 O GLY A 129 6.276 2.622 3.341 1.00 0.00 O ATOM 0 H GLY A 129 8.491 2.913 3.894 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.607 1.789 1.322 1.00 0.00 H new ATOM 0 HA3 GLY A 129 8.121 0.474 2.373 1.00 0.00 H new ATOM 561 N MET A 130 6.007 2.046 1.240 1.00 0.00 N ATOM 562 CA MET A 130 4.617 2.577 1.233 1.00 0.00 C ATOM 563 C MET A 130 3.650 1.468 1.649 1.00 0.00 C ATOM 564 O MET A 130 3.571 0.433 1.018 1.00 0.00 O ATOM 565 CB MET A 130 4.260 3.065 -0.175 1.00 0.00 C ATOM 566 CG MET A 130 5.494 3.688 -0.831 1.00 0.00 C ATOM 567 SD MET A 130 5.091 5.354 -1.413 1.00 0.00 S ATOM 568 CE MET A 130 5.877 6.260 -0.059 1.00 0.00 C ATOM 0 H MET A 130 6.323 1.640 0.359 1.00 0.00 H new ATOM 0 HA MET A 130 4.542 3.409 1.933 1.00 0.00 H new ATOM 0 HB2 MET A 130 3.896 2.233 -0.778 1.00 0.00 H new ATOM 0 HB3 MET A 130 3.454 3.797 -0.124 1.00 0.00 H new ATOM 0 HG2 MET A 130 6.317 3.730 -0.117 1.00 0.00 H new ATOM 0 HG3 MET A 130 5.827 3.070 -1.665 1.00 0.00 H new ATOM 0 HE1 MET A 130 5.369 7.214 0.084 1.00 0.00 H new ATOM 0 HE2 MET A 130 5.812 5.674 0.857 1.00 0.00 H new ATOM 0 HE3 MET A 130 6.925 6.439 -0.301 1.00 0.00 H new ATOM 578 N LYS A 131 2.918 1.673 2.708 1.00 0.00 N ATOM 579 CA LYS A 131 1.963 0.625 3.163 1.00 0.00 C ATOM 580 C LYS A 131 0.528 1.110 2.950 1.00 0.00 C ATOM 581 O LYS A 131 0.166 2.202 3.342 1.00 0.00 O ATOM 582 CB LYS A 131 2.188 0.338 4.649 1.00 0.00 C ATOM 583 CG LYS A 131 1.337 -0.861 5.071 1.00 0.00 C ATOM 584 CD LYS A 131 0.497 -0.486 6.293 1.00 0.00 C ATOM 585 CE LYS A 131 1.048 -1.197 7.530 1.00 0.00 C ATOM 586 NZ LYS A 131 1.274 -0.201 8.615 1.00 0.00 N ATOM 0 H LYS A 131 2.940 2.519 3.277 1.00 0.00 H new ATOM 0 HA LYS A 131 2.127 -0.286 2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 131 3.242 0.133 4.835 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.924 1.213 5.243 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.688 -1.167 4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 131 1.978 -1.711 5.304 1.00 0.00 H new ATOM 0 HD2 LYS A 131 0.516 0.594 6.443 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -0.544 -0.768 6.132 1.00 0.00 H new ATOM 0 HE2 LYS A 131 0.348 -1.963 7.865 1.00 0.00 H new ATOM 0 HE3 LYS A 131 1.982 -1.703 7.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 1.649 -0.684 9.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 1.957 0.514 8.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 0.374 0.263 8.854 1.00 0.00 H new ATOM 600 N CYS A 132 -0.293 0.304 2.335 1.00 0.00 N ATOM 601 CA CYS A 132 -1.704 0.717 2.102 1.00 0.00 C ATOM 602 C CYS A 132 -2.447 0.751 3.438 1.00 0.00 C ATOM 603 O CYS A 132 -2.590 -0.255 4.107 1.00 0.00 O ATOM 604 CB CYS A 132 -2.381 -0.282 1.163 1.00 0.00 C ATOM 605 SG CYS A 132 -4.139 0.123 1.015 1.00 0.00 S ATOM 0 H CYS A 132 -0.047 -0.622 1.984 1.00 0.00 H new ATOM 0 HA CYS A 132 -1.725 1.708 1.648 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -1.907 -0.254 0.182 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -2.262 -1.296 1.546 1.00 0.00 H new ATOM 0 HG CYS A 132 -4.457 1.009 1.912 1.00 0.00 H new ATOM 610 N SER A 133 -2.920 1.903 3.835 1.00 0.00 N ATOM 611 CA SER A 133 -3.650 2.007 5.131 1.00 0.00 C ATOM 612 C SER A 133 -5.119 1.623 4.930 1.00 0.00 C ATOM 613 O SER A 133 -6.014 2.279 5.425 1.00 0.00 O ATOM 614 CB SER A 133 -3.566 3.443 5.649 1.00 0.00 C ATOM 615 OG SER A 133 -2.434 4.083 5.076 1.00 0.00 O ATOM 0 H SER A 133 -2.832 2.777 3.316 1.00 0.00 H new ATOM 0 HA SER A 133 -3.196 1.330 5.855 1.00 0.00 H new ATOM 0 HB2 SER A 133 -4.475 3.988 5.393 1.00 0.00 H new ATOM 0 HB3 SER A 133 -3.488 3.446 6.736 1.00 0.00 H new ATOM 0 HG SER A 133 -2.682 4.476 4.213 1.00 0.00 H new ATOM 621 N CYS A 134 -5.372 0.565 4.210 1.00 0.00 N ATOM 622 CA CYS A 134 -6.778 0.136 3.979 1.00 0.00 C ATOM 623 C CYS A 134 -6.819 -1.383 3.809 1.00 0.00 C ATOM 624 O CYS A 134 -7.718 -2.048 4.284 1.00 0.00 O ATOM 625 CB CYS A 134 -7.318 0.806 2.714 1.00 0.00 C ATOM 626 SG CYS A 134 -9.054 0.350 2.484 1.00 0.00 S ATOM 0 H CYS A 134 -4.663 -0.022 3.771 1.00 0.00 H new ATOM 0 HA CYS A 134 -7.393 0.427 4.831 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -7.223 1.889 2.794 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -6.732 0.498 1.848 1.00 0.00 H new ATOM 0 HG CYS A 134 -9.299 -0.759 3.117 1.00 0.00 H new ATOM 632 N CYS A 135 -5.849 -1.938 3.133 1.00 0.00 N ATOM 633 CA CYS A 135 -5.829 -3.413 2.931 1.00 0.00 C ATOM 634 C CYS A 135 -4.481 -3.975 3.394 1.00 0.00 C ATOM 635 O CYS A 135 -4.204 -5.148 3.239 1.00 0.00 O ATOM 636 CB CYS A 135 -6.033 -3.728 1.447 1.00 0.00 C ATOM 637 SG CYS A 135 -4.559 -3.239 0.514 1.00 0.00 S ATOM 0 H CYS A 135 -5.070 -1.432 2.712 1.00 0.00 H new ATOM 0 HA CYS A 135 -6.630 -3.870 3.512 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -6.223 -4.793 1.314 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -6.907 -3.198 1.069 1.00 0.00 H new ATOM 0 HG CYS A 135 -4.253 -2.008 0.800 1.00 0.00 H new ATOM 642 N GLU A 136 -3.640 -3.148 3.958 1.00 0.00 N ATOM 643 CA GLU A 136 -2.313 -3.640 4.423 1.00 0.00 C ATOM 644 C GLU A 136 -1.504 -4.131 3.221 1.00 0.00 C ATOM 645 O GLU A 136 -1.353 -5.315 3.002 1.00 0.00 O ATOM 646 CB GLU A 136 -2.510 -4.791 5.413 1.00 0.00 C ATOM 647 CG GLU A 136 -2.606 -4.232 6.834 1.00 0.00 C ATOM 648 CD GLU A 136 -3.114 -5.323 7.778 1.00 0.00 C ATOM 649 OE1 GLU A 136 -3.549 -6.350 7.285 1.00 0.00 O ATOM 650 OE2 GLU A 136 -3.061 -5.111 8.978 1.00 0.00 O ATOM 0 H GLU A 136 -3.816 -2.156 4.116 1.00 0.00 H new ATOM 0 HA GLU A 136 -1.777 -2.829 4.916 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -3.416 -5.345 5.167 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -1.678 -5.492 5.342 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -1.629 -3.877 7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -3.280 -3.376 6.855 1.00 0.00 H new ATOM 657 N MET A 137 -0.985 -3.224 2.441 1.00 0.00 N ATOM 658 CA MET A 137 -0.186 -3.631 1.252 1.00 0.00 C ATOM 659 C MET A 137 1.199 -2.984 1.337 1.00 0.00 C ATOM 660 O MET A 137 1.482 -2.230 2.245 1.00 0.00 O ATOM 661 CB MET A 137 -0.898 -3.157 -0.019 1.00 0.00 C ATOM 662 CG MET A 137 -0.612 -4.128 -1.165 1.00 0.00 C ATOM 663 SD MET A 137 -0.363 -3.199 -2.697 1.00 0.00 S ATOM 664 CE MET A 137 -0.988 -4.463 -3.831 1.00 0.00 C ATOM 0 H MET A 137 -1.080 -2.217 2.576 1.00 0.00 H new ATOM 0 HA MET A 137 -0.082 -4.716 1.226 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.972 -3.094 0.157 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.559 -2.156 -0.285 1.00 0.00 H new ATOM 0 HG2 MET A 137 0.274 -4.722 -0.940 1.00 0.00 H new ATOM 0 HG3 MET A 137 -1.442 -4.825 -1.281 1.00 0.00 H new ATOM 0 HE1 MET A 137 -0.927 -4.095 -4.855 1.00 0.00 H new ATOM 0 HE2 MET A 137 -0.388 -5.368 -3.734 1.00 0.00 H new ATOM 0 HE3 MET A 137 -2.026 -4.688 -3.588 1.00 0.00 H new ATOM 674 N ASN A 138 2.066 -3.270 0.405 1.00 0.00 N ATOM 675 CA ASN A 138 3.426 -2.664 0.446 1.00 0.00 C ATOM 676 C ASN A 138 3.965 -2.512 -0.978 1.00 0.00 C ATOM 677 O ASN A 138 3.878 -3.417 -1.784 1.00 0.00 O ATOM 678 CB ASN A 138 4.361 -3.567 1.254 1.00 0.00 C ATOM 679 CG ASN A 138 3.875 -3.638 2.703 1.00 0.00 C ATOM 680 OD1 ASN A 138 3.872 -2.646 3.404 1.00 0.00 O ATOM 681 ND2 ASN A 138 3.459 -4.777 3.185 1.00 0.00 N ATOM 0 H ASN A 138 1.892 -3.896 -0.381 1.00 0.00 H new ATOM 0 HA ASN A 138 3.371 -1.682 0.917 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.386 -4.566 0.818 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.379 -3.179 1.219 1.00 0.00 H new ATOM 0 HD21 ASN A 138 3.132 -4.834 4.149 1.00 0.00 H new ATOM 0 HD22 ASN A 138 3.461 -5.611 2.597 1.00 0.00 H new ATOM 688 N VAL A 139 4.524 -1.376 -1.294 1.00 0.00 N ATOM 689 CA VAL A 139 5.067 -1.171 -2.667 1.00 0.00 C ATOM 690 C VAL A 139 6.137 -0.077 -2.641 1.00 0.00 C ATOM 691 O VAL A 139 6.394 0.534 -1.621 1.00 0.00 O ATOM 692 CB VAL A 139 3.936 -0.754 -3.608 1.00 0.00 C ATOM 693 CG1 VAL A 139 3.203 -1.998 -4.110 1.00 0.00 C ATOM 694 CG2 VAL A 139 2.955 0.146 -2.855 1.00 0.00 C ATOM 0 H VAL A 139 4.628 -0.582 -0.662 1.00 0.00 H new ATOM 0 HA VAL A 139 5.510 -2.102 -3.020 1.00 0.00 H new ATOM 0 HB VAL A 139 4.351 -0.211 -4.457 1.00 0.00 H new ATOM 0 HG11 VAL A 139 2.397 -1.700 -4.781 1.00 0.00 H new ATOM 0 HG12 VAL A 139 3.902 -2.641 -4.646 1.00 0.00 H new ATOM 0 HG13 VAL A 139 2.787 -2.542 -3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.148 0.444 -3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 139 2.540 -0.398 -2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 139 3.477 1.034 -2.497 1.00 0.00 H new ATOM 704 N HIS A 140 6.762 0.175 -3.761 1.00 0.00 N ATOM 705 CA HIS A 140 7.817 1.226 -3.812 1.00 0.00 C ATOM 706 C HIS A 140 7.163 2.600 -3.966 1.00 0.00 C ATOM 707 O HIS A 140 5.955 2.729 -3.960 1.00 0.00 O ATOM 708 CB HIS A 140 8.733 0.969 -5.011 1.00 0.00 C ATOM 709 CG HIS A 140 9.709 -0.125 -4.677 1.00 0.00 C ATOM 710 ND1 HIS A 140 9.580 -1.412 -5.178 1.00 0.00 N ATOM 711 CD2 HIS A 140 10.839 -0.139 -3.898 1.00 0.00 C ATOM 712 CE1 HIS A 140 10.607 -2.138 -4.698 1.00 0.00 C ATOM 713 NE2 HIS A 140 11.404 -1.410 -3.913 1.00 0.00 N ATOM 0 H HIS A 140 6.586 -0.304 -4.644 1.00 0.00 H new ATOM 0 HA HIS A 140 8.399 1.199 -2.891 1.00 0.00 H new ATOM 0 HB2 HIS A 140 8.139 0.687 -5.881 1.00 0.00 H new ATOM 0 HB3 HIS A 140 9.270 1.881 -5.273 1.00 0.00 H new ATOM 0 HD1 HIS A 140 8.842 -1.747 -5.797 1.00 0.00 H new ATOM 0 HD2 HIS A 140 11.230 0.709 -3.355 1.00 0.00 H new ATOM 0 HE1 HIS A 140 10.767 -3.183 -4.921 1.00 0.00 H new ATOM 720 N ARG A 141 7.955 3.628 -4.111 1.00 0.00 N ATOM 721 CA ARG A 141 7.385 4.991 -4.273 1.00 0.00 C ATOM 722 C ARG A 141 7.033 5.211 -5.747 1.00 0.00 C ATOM 723 O ARG A 141 6.136 5.960 -6.077 1.00 0.00 O ATOM 724 CB ARG A 141 8.423 6.027 -3.826 1.00 0.00 C ATOM 725 CG ARG A 141 8.038 7.408 -4.357 1.00 0.00 C ATOM 726 CD ARG A 141 8.246 8.455 -3.262 1.00 0.00 C ATOM 727 NE ARG A 141 7.621 9.741 -3.679 1.00 0.00 N ATOM 728 CZ ARG A 141 6.762 10.335 -2.895 1.00 0.00 C ATOM 729 NH1 ARG A 141 5.633 9.750 -2.604 1.00 0.00 N ATOM 730 NH2 ARG A 141 7.034 11.512 -2.402 1.00 0.00 N ATOM 0 H ARG A 141 8.974 3.580 -4.124 1.00 0.00 H new ATOM 0 HA ARG A 141 6.486 5.097 -3.665 1.00 0.00 H new ATOM 0 HB2 ARG A 141 8.483 6.049 -2.738 1.00 0.00 H new ATOM 0 HB3 ARG A 141 9.410 5.748 -4.194 1.00 0.00 H new ATOM 0 HG2 ARG A 141 8.643 7.655 -5.230 1.00 0.00 H new ATOM 0 HG3 ARG A 141 6.997 7.407 -4.680 1.00 0.00 H new ATOM 0 HD2 ARG A 141 7.805 8.111 -2.326 1.00 0.00 H new ATOM 0 HD3 ARG A 141 9.311 8.598 -3.079 1.00 0.00 H new ATOM 0 HE ARG A 141 7.864 10.158 -4.578 1.00 0.00 H new ATOM 0 HH11 ARG A 141 5.422 8.829 -2.989 1.00 0.00 H new ATOM 0 HH12 ARG A 141 4.962 10.213 -1.992 1.00 0.00 H new ATOM 0 HH21 ARG A 141 7.918 11.968 -2.629 1.00 0.00 H new ATOM 0 HH22 ARG A 141 6.363 11.976 -1.790 1.00 0.00 H new ATOM 744 N ARG A 142 7.733 4.557 -6.634 1.00 0.00 N ATOM 745 CA ARG A 142 7.441 4.720 -8.085 1.00 0.00 C ATOM 746 C ARG A 142 6.586 3.546 -8.569 1.00 0.00 C ATOM 747 O ARG A 142 6.187 3.490 -9.715 1.00 0.00 O ATOM 748 CB ARG A 142 8.756 4.750 -8.867 1.00 0.00 C ATOM 749 CG ARG A 142 9.395 3.361 -8.843 1.00 0.00 C ATOM 750 CD ARG A 142 10.789 3.451 -8.218 1.00 0.00 C ATOM 751 NE ARG A 142 11.732 2.586 -8.982 1.00 0.00 N ATOM 752 CZ ARG A 142 13.016 2.819 -8.934 1.00 0.00 C ATOM 753 NH1 ARG A 142 13.584 3.113 -7.797 1.00 0.00 N ATOM 754 NH2 ARG A 142 13.731 2.757 -10.024 1.00 0.00 N ATOM 0 H ARG A 142 8.496 3.916 -6.415 1.00 0.00 H new ATOM 0 HA ARG A 142 6.900 5.653 -8.245 1.00 0.00 H new ATOM 0 HB2 ARG A 142 8.573 5.060 -9.896 1.00 0.00 H new ATOM 0 HB3 ARG A 142 9.435 5.482 -8.430 1.00 0.00 H new ATOM 0 HG2 ARG A 142 8.772 2.673 -8.272 1.00 0.00 H new ATOM 0 HG3 ARG A 142 9.464 2.963 -9.855 1.00 0.00 H new ATOM 0 HD2 ARG A 142 11.137 4.484 -8.227 1.00 0.00 H new ATOM 0 HD3 ARG A 142 10.753 3.136 -7.175 1.00 0.00 H new ATOM 0 HE ARG A 142 11.375 1.812 -9.542 1.00 0.00 H new ATOM 0 HH11 ARG A 142 13.025 3.161 -6.945 1.00 0.00 H new ATOM 0 HH12 ARG A 142 14.587 3.295 -7.760 1.00 0.00 H new ATOM 0 HH21 ARG A 142 13.287 2.527 -10.913 1.00 0.00 H new ATOM 0 HH22 ARG A 142 14.734 2.939 -9.987 1.00 0.00 H new ATOM 768 N CYS A 143 6.302 2.608 -7.706 1.00 0.00 N ATOM 769 CA CYS A 143 5.474 1.440 -8.120 1.00 0.00 C ATOM 770 C CYS A 143 3.997 1.756 -7.883 1.00 0.00 C ATOM 771 O CYS A 143 3.119 1.042 -8.326 1.00 0.00 O ATOM 772 CB CYS A 143 5.872 0.215 -7.295 1.00 0.00 C ATOM 773 SG CYS A 143 7.399 -0.494 -7.960 1.00 0.00 S ATOM 0 H CYS A 143 6.608 2.600 -6.733 1.00 0.00 H new ATOM 0 HA CYS A 143 5.638 1.234 -9.178 1.00 0.00 H new ATOM 0 HB2 CYS A 143 6.014 0.497 -6.252 1.00 0.00 H new ATOM 0 HB3 CYS A 143 5.074 -0.527 -7.319 1.00 0.00 H new ATOM 0 HG CYS A 143 8.348 0.392 -7.906 1.00 0.00 H new ATOM 778 N VAL A 144 3.713 2.821 -7.185 1.00 0.00 N ATOM 779 CA VAL A 144 2.293 3.183 -6.917 1.00 0.00 C ATOM 780 C VAL A 144 1.601 3.543 -8.234 1.00 0.00 C ATOM 781 O VAL A 144 0.446 3.231 -8.444 1.00 0.00 O ATOM 782 CB VAL A 144 2.244 4.384 -5.971 1.00 0.00 C ATOM 783 CG1 VAL A 144 0.792 4.672 -5.587 1.00 0.00 C ATOM 784 CG2 VAL A 144 3.052 4.071 -4.709 1.00 0.00 C ATOM 0 H VAL A 144 4.405 3.457 -6.788 1.00 0.00 H new ATOM 0 HA VAL A 144 1.782 2.337 -6.458 1.00 0.00 H new ATOM 0 HB VAL A 144 2.668 5.256 -6.468 1.00 0.00 H new ATOM 0 HG11 VAL A 144 0.757 5.528 -4.913 1.00 0.00 H new ATOM 0 HG12 VAL A 144 0.215 4.893 -6.485 1.00 0.00 H new ATOM 0 HG13 VAL A 144 0.368 3.800 -5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 144 3.018 4.926 -4.034 1.00 0.00 H new ATOM 0 HG22 VAL A 144 2.627 3.199 -4.212 1.00 0.00 H new ATOM 0 HG23 VAL A 144 4.087 3.865 -4.981 1.00 0.00 H new ATOM 794 N ARG A 145 2.297 4.200 -9.120 1.00 0.00 N ATOM 795 CA ARG A 145 1.679 4.580 -10.422 1.00 0.00 C ATOM 796 C ARG A 145 1.630 3.360 -11.345 1.00 0.00 C ATOM 797 O ARG A 145 1.195 3.444 -12.477 1.00 0.00 O ATOM 798 CB ARG A 145 2.511 5.683 -11.079 1.00 0.00 C ATOM 799 CG ARG A 145 2.725 6.824 -10.082 1.00 0.00 C ATOM 800 CD ARG A 145 3.882 7.706 -10.558 1.00 0.00 C ATOM 801 NE ARG A 145 4.225 8.691 -9.494 1.00 0.00 N ATOM 802 CZ ARG A 145 3.509 9.773 -9.352 1.00 0.00 C ATOM 803 NH1 ARG A 145 3.108 10.433 -10.403 1.00 0.00 N ATOM 804 NH2 ARG A 145 3.194 10.195 -8.158 1.00 0.00 N ATOM 0 H ARG A 145 3.267 4.490 -8.999 1.00 0.00 H new ATOM 0 HA ARG A 145 0.666 4.942 -10.248 1.00 0.00 H new ATOM 0 HB2 ARG A 145 3.472 5.284 -11.403 1.00 0.00 H new ATOM 0 HB3 ARG A 145 2.004 6.054 -11.969 1.00 0.00 H new ATOM 0 HG2 ARG A 145 1.815 7.417 -9.991 1.00 0.00 H new ATOM 0 HG3 ARG A 145 2.944 6.421 -9.093 1.00 0.00 H new ATOM 0 HD2 ARG A 145 4.750 7.090 -10.792 1.00 0.00 H new ATOM 0 HD3 ARG A 145 3.604 8.226 -11.474 1.00 0.00 H new ATOM 0 HE ARG A 145 5.019 8.520 -8.877 1.00 0.00 H new ATOM 0 HH11 ARG A 145 3.354 10.104 -11.337 1.00 0.00 H new ATOM 0 HH12 ARG A 145 2.548 11.278 -10.291 1.00 0.00 H new ATOM 0 HH21 ARG A 145 3.507 9.679 -7.336 1.00 0.00 H new ATOM 0 HH22 ARG A 145 2.634 11.041 -8.047 1.00 0.00 H new ATOM 818 N SER A 146 2.073 2.226 -10.874 1.00 0.00 N ATOM 819 CA SER A 146 2.049 1.005 -11.728 1.00 0.00 C ATOM 820 C SER A 146 0.981 0.038 -11.213 1.00 0.00 C ATOM 821 O SER A 146 0.756 -1.012 -11.782 1.00 0.00 O ATOM 822 CB SER A 146 3.418 0.325 -11.681 1.00 0.00 C ATOM 823 OG SER A 146 4.436 1.311 -11.789 1.00 0.00 O ATOM 0 H SER A 146 2.450 2.093 -9.936 1.00 0.00 H new ATOM 0 HA SER A 146 1.816 1.286 -12.755 1.00 0.00 H new ATOM 0 HB2 SER A 146 3.530 -0.229 -10.749 1.00 0.00 H new ATOM 0 HB3 SER A 146 3.507 -0.396 -12.493 1.00 0.00 H new ATOM 0 HG SER A 146 5.315 0.879 -11.757 1.00 0.00 H new ATOM 829 N VAL A 147 0.320 0.383 -10.142 1.00 0.00 N ATOM 830 CA VAL A 147 -0.733 -0.520 -9.595 1.00 0.00 C ATOM 831 C VAL A 147 -2.097 -0.113 -10.164 1.00 0.00 C ATOM 832 O VAL A 147 -2.378 1.061 -10.310 1.00 0.00 O ATOM 833 CB VAL A 147 -0.761 -0.401 -8.069 1.00 0.00 C ATOM 834 CG1 VAL A 147 -1.380 -1.663 -7.468 1.00 0.00 C ATOM 835 CG2 VAL A 147 0.668 -0.237 -7.546 1.00 0.00 C ATOM 0 H VAL A 147 0.463 1.249 -9.623 1.00 0.00 H new ATOM 0 HA VAL A 147 -0.514 -1.550 -9.876 1.00 0.00 H new ATOM 0 HB VAL A 147 -1.357 0.466 -7.784 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -1.399 -1.577 -6.382 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -2.397 -1.782 -7.841 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -0.785 -2.531 -7.753 1.00 0.00 H new ATOM 0 HG21 VAL A 147 0.650 -0.152 -6.459 1.00 0.00 H new ATOM 0 HG22 VAL A 147 1.262 -1.105 -7.833 1.00 0.00 H new ATOM 0 HG23 VAL A 147 1.111 0.663 -7.973 1.00 0.00 H new ATOM 845 N PRO A 148 -2.908 -1.096 -10.468 1.00 0.00 N ATOM 846 CA PRO A 148 -4.253 -0.870 -11.023 1.00 0.00 C ATOM 847 C PRO A 148 -5.225 -0.455 -9.913 1.00 0.00 C ATOM 848 O PRO A 148 -6.401 -0.257 -10.147 1.00 0.00 O ATOM 849 CB PRO A 148 -4.637 -2.234 -11.604 1.00 0.00 C ATOM 850 CG PRO A 148 -3.767 -3.282 -10.870 1.00 0.00 C ATOM 851 CD PRO A 148 -2.561 -2.521 -10.287 1.00 0.00 C ATOM 0 HA PRO A 148 -4.282 -0.073 -11.766 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -5.698 -2.436 -11.453 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -4.456 -2.263 -12.679 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -4.335 -3.772 -10.079 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -3.438 -4.062 -11.557 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -2.408 -2.763 -9.235 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -1.639 -2.776 -10.810 1.00 0.00 H new ATOM 859 N SER A 149 -4.742 -0.322 -8.708 1.00 0.00 N ATOM 860 CA SER A 149 -5.637 0.081 -7.587 1.00 0.00 C ATOM 861 C SER A 149 -6.494 -1.114 -7.163 1.00 0.00 C ATOM 862 O SER A 149 -7.707 -1.068 -7.211 1.00 0.00 O ATOM 863 CB SER A 149 -6.545 1.223 -8.044 1.00 0.00 C ATOM 864 OG SER A 149 -6.873 2.039 -6.927 1.00 0.00 O ATOM 0 H SER A 149 -3.767 -0.475 -8.452 1.00 0.00 H new ATOM 0 HA SER A 149 -5.033 0.413 -6.742 1.00 0.00 H new ATOM 0 HB2 SER A 149 -6.044 1.817 -8.808 1.00 0.00 H new ATOM 0 HB3 SER A 149 -7.453 0.823 -8.495 1.00 0.00 H new ATOM 0 HG SER A 149 -7.454 2.773 -7.217 1.00 0.00 H new ATOM 870 N LEU A 150 -5.873 -2.184 -6.746 1.00 0.00 N ATOM 871 CA LEU A 150 -6.654 -3.378 -6.318 1.00 0.00 C ATOM 872 C LEU A 150 -7.047 -3.229 -4.846 1.00 0.00 C ATOM 873 O LEU A 150 -6.932 -4.153 -4.066 1.00 0.00 O ATOM 874 CB LEU A 150 -5.800 -4.637 -6.492 1.00 0.00 C ATOM 875 CG LEU A 150 -5.194 -4.653 -7.896 1.00 0.00 C ATOM 876 CD1 LEU A 150 -3.757 -4.134 -7.837 1.00 0.00 C ATOM 877 CD2 LEU A 150 -5.197 -6.085 -8.435 1.00 0.00 C ATOM 0 H LEU A 150 -4.860 -2.282 -6.683 1.00 0.00 H new ATOM 0 HA LEU A 150 -7.553 -3.462 -6.929 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -5.009 -4.659 -5.743 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.410 -5.527 -6.338 1.00 0.00 H new ATOM 0 HG LEU A 150 -5.784 -4.015 -8.554 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -3.325 -4.145 -8.838 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -3.754 -3.114 -7.452 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -3.166 -4.772 -7.179 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -4.765 -6.098 -9.436 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -4.607 -6.723 -7.777 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -6.221 -6.456 -8.477 1.00 0.00 H new ATOM 889 N CYS A 151 -7.510 -2.071 -4.461 1.00 0.00 N ATOM 890 CA CYS A 151 -7.909 -1.865 -3.041 1.00 0.00 C ATOM 891 C CYS A 151 -9.421 -2.053 -2.903 1.00 0.00 C ATOM 892 O CYS A 151 -10.202 -1.299 -3.450 1.00 0.00 O ATOM 893 CB CYS A 151 -7.529 -0.448 -2.605 1.00 0.00 C ATOM 894 SG CYS A 151 -7.168 -0.439 -0.831 1.00 0.00 S ATOM 0 H CYS A 151 -7.629 -1.260 -5.068 1.00 0.00 H new ATOM 0 HA CYS A 151 -7.394 -2.590 -2.410 1.00 0.00 H new ATOM 0 HB2 CYS A 151 -6.660 -0.104 -3.166 1.00 0.00 H new ATOM 0 HB3 CYS A 151 -8.343 0.242 -2.825 1.00 0.00 H new ATOM 0 HG CYS A 151 -8.229 -0.073 -0.174 1.00 0.00 H new