USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 268 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 Single : A 132 MET CE :methyl -128:sc= -0.0109 (180deg=-1.03) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 TYR OH : rot 100:sc= -2.08 USER MOD Single : A 142 LYS NZ :NH3+ -132:sc= -0.212 (180deg=-1.2) USER MOD Single : A 150 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.011) USER MOD Single : A 152 THR OG1 : rot -48:sc= 0.955 USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 100 N ALA A 131 -4.613 5.061 -1.827 1.00 0.00 N ATOM 101 CA ALA A 131 -3.651 4.759 -0.775 1.00 0.00 C ATOM 102 C ALA A 131 -3.672 5.823 0.317 1.00 0.00 C ATOM 103 O ALA A 131 -4.413 6.803 0.230 1.00 0.00 O ATOM 104 CB ALA A 131 -2.254 4.627 -1.364 1.00 0.00 C ATOM 0 HA ALA A 131 -3.934 3.810 -0.319 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -1.544 4.401 -0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.244 3.822 -2.099 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -1.973 5.563 -1.847 1.00 0.00 H new ATOM 110 N MET A 132 -2.854 5.621 1.344 1.00 0.00 N ATOM 111 CA MET A 132 -2.773 6.559 2.458 1.00 0.00 C ATOM 112 C MET A 132 -1.398 7.221 2.512 1.00 0.00 C ATOM 113 O MET A 132 -0.426 6.695 1.968 1.00 0.00 O ATOM 114 CB MET A 132 -3.054 5.836 3.778 1.00 0.00 C ATOM 115 CG MET A 132 -4.510 5.432 3.952 1.00 0.00 C ATOM 116 SD MET A 132 -5.321 6.306 5.306 1.00 0.00 S ATOM 117 CE MET A 132 -5.915 7.767 4.459 1.00 0.00 C ATOM 0 H MET A 132 -2.236 4.814 1.428 1.00 0.00 H new ATOM 0 HA MET A 132 -3.525 7.334 2.306 1.00 0.00 H new ATOM 0 HB2 MET A 132 -2.429 4.945 3.835 1.00 0.00 H new ATOM 0 HB3 MET A 132 -2.763 6.483 4.606 1.00 0.00 H new ATOM 0 HG2 MET A 132 -5.050 5.627 3.025 1.00 0.00 H new ATOM 0 HG3 MET A 132 -4.565 4.359 4.134 1.00 0.00 H new ATOM 0 HE1 MET A 132 -5.591 8.657 4.998 1.00 0.00 H new ATOM 0 HE2 MET A 132 -5.513 7.789 3.446 1.00 0.00 H new ATOM 0 HE3 MET A 132 -7.004 7.745 4.416 1.00 0.00 H new ATOM 127 N PRO A 133 -1.296 8.389 3.174 1.00 0.00 N ATOM 128 CA PRO A 133 -0.032 9.120 3.299 1.00 0.00 C ATOM 129 C PRO A 133 1.099 8.231 3.806 1.00 0.00 C ATOM 130 O PRO A 133 2.149 8.124 3.173 1.00 0.00 O ATOM 131 CB PRO A 133 -0.343 10.231 4.316 1.00 0.00 C ATOM 132 CG PRO A 133 -1.672 9.881 4.903 1.00 0.00 C ATOM 133 CD PRO A 133 -2.393 9.086 3.854 1.00 0.00 C ATOM 0 HA PRO A 133 0.310 9.501 2.337 1.00 0.00 H new ATOM 0 HB2 PRO A 133 0.425 10.281 5.088 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.373 11.207 3.832 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -1.553 9.301 5.818 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.231 10.779 5.165 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -3.107 8.389 4.293 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -2.951 9.727 3.172 1.00 0.00 H new ATOM 141 N SER A 134 0.877 7.590 4.949 1.00 0.00 N ATOM 142 CA SER A 134 1.878 6.707 5.533 1.00 0.00 C ATOM 143 C SER A 134 2.206 5.562 4.580 1.00 0.00 C ATOM 144 O SER A 134 3.367 5.181 4.427 1.00 0.00 O ATOM 145 CB SER A 134 1.385 6.151 6.870 1.00 0.00 C ATOM 146 OG SER A 134 1.822 6.957 7.951 1.00 0.00 O ATOM 0 H SER A 134 0.014 7.666 5.488 1.00 0.00 H new ATOM 0 HA SER A 134 2.785 7.287 5.706 1.00 0.00 H new ATOM 0 HB2 SER A 134 0.296 6.101 6.867 1.00 0.00 H new ATOM 0 HB3 SER A 134 1.751 5.133 7.001 1.00 0.00 H new ATOM 0 HG SER A 134 1.492 6.581 8.794 1.00 0.00 H new ATOM 152 N VAL A 135 1.175 5.021 3.939 1.00 0.00 N ATOM 153 CA VAL A 135 1.353 3.925 2.996 1.00 0.00 C ATOM 154 C VAL A 135 2.256 4.348 1.841 1.00 0.00 C ATOM 155 O VAL A 135 3.033 3.546 1.324 1.00 0.00 O ATOM 156 CB VAL A 135 -0.002 3.433 2.446 1.00 0.00 C ATOM 157 CG1 VAL A 135 0.189 2.302 1.443 1.00 0.00 C ATOM 158 CG2 VAL A 135 -0.902 2.988 3.589 1.00 0.00 C ATOM 0 H VAL A 135 0.208 5.324 4.056 1.00 0.00 H new ATOM 0 HA VAL A 135 1.825 3.104 3.535 1.00 0.00 H new ATOM 0 HB VAL A 135 -0.480 4.263 1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.783 1.976 1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.796 2.654 0.609 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.691 1.466 1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -1.855 2.643 3.188 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.422 2.175 4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.074 3.826 4.264 1.00 0.00 H new ATOM 168 N ARG A 136 2.164 5.614 1.447 1.00 0.00 N ATOM 169 CA ARG A 136 2.993 6.126 0.365 1.00 0.00 C ATOM 170 C ARG A 136 4.458 6.074 0.770 1.00 0.00 C ATOM 171 O ARG A 136 5.288 5.496 0.068 1.00 0.00 O ATOM 172 CB ARG A 136 2.590 7.560 0.007 1.00 0.00 C ATOM 173 CG ARG A 136 1.836 7.670 -1.310 1.00 0.00 C ATOM 174 CD ARG A 136 2.775 7.560 -2.501 1.00 0.00 C ATOM 175 NE ARG A 136 3.234 8.869 -2.958 1.00 0.00 N ATOM 176 CZ ARG A 136 3.745 9.094 -4.168 1.00 0.00 C ATOM 177 NH1 ARG A 136 3.869 8.100 -5.039 1.00 0.00 N ATOM 178 NH2 ARG A 136 4.135 10.315 -4.505 1.00 0.00 N ATOM 0 H ARG A 136 1.529 6.298 1.858 1.00 0.00 H new ATOM 0 HA ARG A 136 2.844 5.501 -0.516 1.00 0.00 H new ATOM 0 HB2 ARG A 136 1.969 7.964 0.806 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.486 8.178 -0.044 1.00 0.00 H new ATOM 0 HG2 ARG A 136 1.083 6.884 -1.366 1.00 0.00 H new ATOM 0 HG3 ARG A 136 1.307 8.622 -1.349 1.00 0.00 H new ATOM 0 HD2 ARG A 136 3.635 6.949 -2.229 1.00 0.00 H new ATOM 0 HD3 ARG A 136 2.266 7.049 -3.318 1.00 0.00 H new ATOM 0 HE ARG A 136 3.159 9.656 -2.314 1.00 0.00 H new ATOM 0 HH11 ARG A 136 3.572 7.158 -4.784 1.00 0.00 H new ATOM 0 HH12 ARG A 136 4.261 8.278 -5.964 1.00 0.00 H new ATOM 0 HH21 ARG A 136 4.044 11.082 -3.838 1.00 0.00 H new ATOM 0 HH22 ARG A 136 4.526 10.488 -5.431 1.00 0.00 H new ATOM 192 N LYS A 137 4.766 6.659 1.924 1.00 0.00 N ATOM 193 CA LYS A 137 6.128 6.651 2.439 1.00 0.00 C ATOM 194 C LYS A 137 6.613 5.209 2.571 1.00 0.00 C ATOM 195 O LYS A 137 7.800 4.920 2.426 1.00 0.00 O ATOM 196 CB LYS A 137 6.181 7.375 3.793 1.00 0.00 C ATOM 197 CG LYS A 137 7.185 6.791 4.777 1.00 0.00 C ATOM 198 CD LYS A 137 7.319 7.658 6.018 1.00 0.00 C ATOM 199 CE LYS A 137 8.614 8.452 6.007 1.00 0.00 C ATOM 200 NZ LYS A 137 9.142 8.676 7.383 1.00 0.00 N ATOM 0 H LYS A 137 4.092 7.143 2.517 1.00 0.00 H new ATOM 0 HA LYS A 137 6.785 7.178 1.747 1.00 0.00 H new ATOM 0 HB2 LYS A 137 6.425 8.423 3.622 1.00 0.00 H new ATOM 0 HB3 LYS A 137 5.189 7.349 4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 137 6.872 5.788 5.065 1.00 0.00 H new ATOM 0 HG3 LYS A 137 8.157 6.695 4.293 1.00 0.00 H new ATOM 0 HD2 LYS A 137 6.472 8.342 6.078 1.00 0.00 H new ATOM 0 HD3 LYS A 137 7.284 7.029 6.908 1.00 0.00 H new ATOM 0 HE2 LYS A 137 9.359 7.922 5.414 1.00 0.00 H new ATOM 0 HE3 LYS A 137 8.446 9.414 5.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 10.026 9.221 7.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 8.442 9.204 7.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 9.327 7.759 7.837 1.00 0.00 H new ATOM 214 N TYR A 138 5.669 4.311 2.838 1.00 0.00 N ATOM 215 CA TYR A 138 5.963 2.892 2.980 1.00 0.00 C ATOM 216 C TYR A 138 6.519 2.328 1.680 1.00 0.00 C ATOM 217 O TYR A 138 7.647 1.836 1.631 1.00 0.00 O ATOM 218 CB TYR A 138 4.685 2.139 3.367 1.00 0.00 C ATOM 219 CG TYR A 138 4.902 0.747 3.926 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.064 0.026 3.668 1.00 0.00 C ATOM 221 CD2 TYR A 138 3.927 0.150 4.714 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.244 -1.245 4.179 1.00 0.00 C ATOM 223 CE2 TYR A 138 4.101 -1.119 5.229 1.00 0.00 C ATOM 224 CZ TYR A 138 5.260 -1.812 4.959 1.00 0.00 C ATOM 225 OH TYR A 138 5.439 -3.077 5.471 1.00 0.00 O ATOM 0 H TYR A 138 4.684 4.547 2.961 1.00 0.00 H new ATOM 0 HA TYR A 138 6.712 2.766 3.761 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.144 2.730 4.106 1.00 0.00 H new ATOM 0 HB3 TYR A 138 4.045 2.065 2.488 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.838 0.467 3.058 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.016 0.688 4.928 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.151 -1.791 3.968 1.00 0.00 H new ATOM 0 HE2 TYR A 138 3.332 -1.566 5.841 1.00 0.00 H new ATOM 0 HH TYR A 138 5.723 -3.014 6.407 1.00 0.00 H new ATOM 235 N ALA A 139 5.714 2.398 0.630 1.00 0.00 N ATOM 236 CA ALA A 139 6.114 1.886 -0.672 1.00 0.00 C ATOM 237 C ALA A 139 7.329 2.632 -1.217 1.00 0.00 C ATOM 238 O ALA A 139 8.105 2.084 -1.997 1.00 0.00 O ATOM 239 CB ALA A 139 4.949 1.968 -1.642 1.00 0.00 C ATOM 0 H ALA A 139 4.779 2.805 0.654 1.00 0.00 H new ATOM 0 HA ALA A 139 6.402 0.841 -0.554 1.00 0.00 H new ATOM 0 HB1 ALA A 139 5.257 1.583 -2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 139 4.118 1.374 -1.263 1.00 0.00 H new ATOM 0 HB3 ALA A 139 4.635 3.007 -1.746 1.00 0.00 H new ATOM 245 N ARG A 140 7.494 3.881 -0.803 1.00 0.00 N ATOM 246 CA ARG A 140 8.621 4.689 -1.257 1.00 0.00 C ATOM 247 C ARG A 140 9.872 4.400 -0.431 1.00 0.00 C ATOM 248 O ARG A 140 10.993 4.617 -0.891 1.00 0.00 O ATOM 249 CB ARG A 140 8.277 6.176 -1.179 1.00 0.00 C ATOM 250 CG ARG A 140 7.145 6.587 -2.105 1.00 0.00 C ATOM 251 CD ARG A 140 7.514 6.373 -3.563 1.00 0.00 C ATOM 252 NE ARG A 140 8.713 7.118 -3.940 1.00 0.00 N ATOM 253 CZ ARG A 140 9.458 6.836 -5.006 1.00 0.00 C ATOM 254 NH1 ARG A 140 9.130 5.828 -5.805 1.00 0.00 N ATOM 255 NH2 ARG A 140 10.533 7.563 -5.274 1.00 0.00 N ATOM 0 H ARG A 140 6.865 4.357 -0.156 1.00 0.00 H new ATOM 0 HA ARG A 140 8.826 4.425 -2.295 1.00 0.00 H new ATOM 0 HB2 ARG A 140 8.005 6.424 -0.153 1.00 0.00 H new ATOM 0 HB3 ARG A 140 9.165 6.759 -1.423 1.00 0.00 H new ATOM 0 HG2 ARG A 140 6.251 6.011 -1.866 1.00 0.00 H new ATOM 0 HG3 ARG A 140 6.901 7.637 -1.940 1.00 0.00 H new ATOM 0 HD2 ARG A 140 7.676 5.310 -3.744 1.00 0.00 H new ATOM 0 HD3 ARG A 140 6.682 6.681 -4.196 1.00 0.00 H new ATOM 0 HE ARG A 140 8.996 7.901 -3.351 1.00 0.00 H new ATOM 0 HH11 ARG A 140 8.303 5.265 -5.603 1.00 0.00 H new ATOM 0 HH12 ARG A 140 9.704 5.616 -6.621 1.00 0.00 H new ATOM 0 HH21 ARG A 140 10.789 8.339 -4.663 1.00 0.00 H new ATOM 0 HH22 ARG A 140 11.104 7.347 -6.091 1.00 0.00 H new ATOM 269 N GLU A 141 9.674 3.914 0.789 1.00 0.00 N ATOM 270 CA GLU A 141 10.787 3.600 1.677 1.00 0.00 C ATOM 271 C GLU A 141 11.272 2.167 1.471 1.00 0.00 C ATOM 272 O GLU A 141 12.413 1.838 1.795 1.00 0.00 O ATOM 273 CB GLU A 141 10.372 3.803 3.135 1.00 0.00 C ATOM 274 CG GLU A 141 10.442 5.250 3.594 1.00 0.00 C ATOM 275 CD GLU A 141 11.841 5.825 3.493 1.00 0.00 C ATOM 276 OE1 GLU A 141 12.224 6.263 2.387 1.00 0.00 O ATOM 277 OE2 GLU A 141 12.553 5.840 4.518 1.00 0.00 O ATOM 0 H GLU A 141 8.753 3.729 1.186 1.00 0.00 H new ATOM 0 HA GLU A 141 11.608 4.276 1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.354 3.438 3.268 1.00 0.00 H new ATOM 0 HB3 GLU A 141 11.014 3.197 3.774 1.00 0.00 H new ATOM 0 HG2 GLU A 141 9.761 5.852 2.992 1.00 0.00 H new ATOM 0 HG3 GLU A 141 10.099 5.317 4.626 1.00 0.00 H new ATOM 284 N LYS A 142 10.399 1.318 0.938 1.00 0.00 N ATOM 285 CA LYS A 142 10.745 -0.079 0.699 1.00 0.00 C ATOM 286 C LYS A 142 11.046 -0.331 -0.777 1.00 0.00 C ATOM 287 O LYS A 142 11.774 -1.263 -1.118 1.00 0.00 O ATOM 288 CB LYS A 142 9.608 -0.992 1.165 1.00 0.00 C ATOM 289 CG LYS A 142 9.799 -1.526 2.577 1.00 0.00 C ATOM 290 CD LYS A 142 10.053 -3.026 2.578 1.00 0.00 C ATOM 291 CE LYS A 142 9.499 -3.682 3.832 1.00 0.00 C ATOM 292 NZ LYS A 142 9.611 -5.165 3.780 1.00 0.00 N ATOM 0 H LYS A 142 9.450 1.572 0.664 1.00 0.00 H new ATOM 0 HA LYS A 142 11.645 -0.304 1.272 1.00 0.00 H new ATOM 0 HB2 LYS A 142 8.668 -0.442 1.117 1.00 0.00 H new ATOM 0 HB3 LYS A 142 9.521 -1.832 0.476 1.00 0.00 H new ATOM 0 HG2 LYS A 142 10.637 -1.014 3.050 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.913 -1.306 3.173 1.00 0.00 H new ATOM 0 HD2 LYS A 142 9.593 -3.475 1.697 1.00 0.00 H new ATOM 0 HD3 LYS A 142 11.124 -3.215 2.510 1.00 0.00 H new ATOM 0 HE2 LYS A 142 10.035 -3.308 4.704 1.00 0.00 H new ATOM 0 HE3 LYS A 142 8.453 -3.401 3.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 8.702 -5.591 4.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 9.859 -5.461 2.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 10.351 -5.481 4.440 1.00 0.00 H new ATOM 306 N GLY A 143 10.481 0.498 -1.649 1.00 0.00 N ATOM 307 CA GLY A 143 10.706 0.336 -3.074 1.00 0.00 C ATOM 308 C GLY A 143 9.499 -0.242 -3.795 1.00 0.00 C ATOM 309 O GLY A 143 9.585 -0.604 -4.968 1.00 0.00 O ATOM 0 H GLY A 143 9.873 1.277 -1.396 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.957 1.303 -3.511 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.565 -0.317 -3.230 1.00 0.00 H new ATOM 313 N VAL A 144 8.373 -0.320 -3.093 1.00 0.00 N ATOM 314 CA VAL A 144 7.143 -0.847 -3.669 1.00 0.00 C ATOM 315 C VAL A 144 6.272 0.284 -4.204 1.00 0.00 C ATOM 316 O VAL A 144 6.461 1.446 -3.843 1.00 0.00 O ATOM 317 CB VAL A 144 6.341 -1.652 -2.629 1.00 0.00 C ATOM 318 CG1 VAL A 144 5.147 -2.336 -3.279 1.00 0.00 C ATOM 319 CG2 VAL A 144 7.235 -2.669 -1.938 1.00 0.00 C ATOM 0 H VAL A 144 8.288 -0.023 -2.121 1.00 0.00 H new ATOM 0 HA VAL A 144 7.425 -1.508 -4.488 1.00 0.00 H new ATOM 0 HB VAL A 144 5.964 -0.960 -1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.595 -2.899 -2.526 1.00 0.00 H new ATOM 0 HG12 VAL A 144 4.493 -1.584 -3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 144 5.496 -3.016 -4.056 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.652 -3.229 -1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.644 -3.356 -2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 144 8.051 -2.152 -1.433 1.00 0.00 H new ATOM 329 N ASP A 145 5.322 -0.059 -5.066 1.00 0.00 N ATOM 330 CA ASP A 145 4.426 0.936 -5.644 1.00 0.00 C ATOM 331 C ASP A 145 2.979 0.662 -5.243 1.00 0.00 C ATOM 332 O ASP A 145 2.367 -0.295 -5.705 1.00 0.00 O ATOM 333 CB ASP A 145 4.554 0.946 -7.169 1.00 0.00 C ATOM 334 CG ASP A 145 3.832 2.120 -7.799 1.00 0.00 C ATOM 335 OD1 ASP A 145 3.019 2.763 -7.100 1.00 0.00 O ATOM 336 OD2 ASP A 145 4.082 2.401 -8.990 1.00 0.00 O ATOM 0 H ASP A 145 5.152 -1.015 -5.379 1.00 0.00 H new ATOM 0 HA ASP A 145 4.712 1.914 -5.258 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.608 0.982 -7.443 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.151 0.016 -7.571 1.00 0.00 H new ATOM 341 N ILE A 146 2.435 1.512 -4.382 1.00 0.00 N ATOM 342 CA ILE A 146 1.063 1.367 -3.918 1.00 0.00 C ATOM 343 C ILE A 146 0.101 1.095 -5.070 1.00 0.00 C ATOM 344 O ILE A 146 -0.859 0.336 -4.932 1.00 0.00 O ATOM 345 CB ILE A 146 0.606 2.635 -3.189 1.00 0.00 C ATOM 346 CG1 ILE A 146 0.928 3.881 -4.020 1.00 0.00 C ATOM 347 CG2 ILE A 146 1.259 2.716 -1.820 1.00 0.00 C ATOM 348 CD1 ILE A 146 0.678 5.180 -3.286 1.00 0.00 C ATOM 0 H ILE A 146 2.928 2.314 -3.989 1.00 0.00 H new ATOM 0 HA ILE A 146 1.047 0.516 -3.238 1.00 0.00 H new ATOM 0 HB ILE A 146 -0.475 2.590 -3.054 1.00 0.00 H new ATOM 0 HG12 ILE A 146 1.973 3.842 -4.327 1.00 0.00 H new ATOM 0 HG13 ILE A 146 0.328 3.866 -4.930 1.00 0.00 H new ATOM 0 HG21 ILE A 146 0.927 3.621 -1.311 1.00 0.00 H new ATOM 0 HG22 ILE A 146 0.977 1.844 -1.230 1.00 0.00 H new ATOM 0 HG23 ILE A 146 2.343 2.741 -1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.928 6.019 -3.936 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.373 5.241 -3.002 1.00 0.00 H new ATOM 0 HD13 ILE A 146 1.298 5.217 -2.391 1.00 0.00 H new ATOM 360 N ARG A 147 0.363 1.739 -6.196 1.00 0.00 N ATOM 361 CA ARG A 147 -0.473 1.601 -7.388 1.00 0.00 C ATOM 362 C ARG A 147 -0.789 0.139 -7.720 1.00 0.00 C ATOM 363 O ARG A 147 -1.794 -0.145 -8.371 1.00 0.00 O ATOM 364 CB ARG A 147 0.208 2.266 -8.588 1.00 0.00 C ATOM 365 CG ARG A 147 -0.416 3.595 -8.982 1.00 0.00 C ATOM 366 CD ARG A 147 -0.830 3.608 -10.445 1.00 0.00 C ATOM 367 NE ARG A 147 0.227 4.130 -11.309 1.00 0.00 N ATOM 368 CZ ARG A 147 0.289 3.912 -12.620 1.00 0.00 C ATOM 369 NH1 ARG A 147 -0.642 3.183 -13.224 1.00 0.00 N ATOM 370 NH2 ARG A 147 1.284 4.425 -13.330 1.00 0.00 N ATOM 0 H ARG A 147 1.156 2.370 -6.314 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.419 2.098 -7.172 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.261 2.423 -8.356 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.167 1.588 -9.440 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -1.287 3.789 -8.355 1.00 0.00 H new ATOM 0 HG3 ARG A 147 0.295 4.400 -8.797 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -1.087 2.596 -10.758 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -1.727 4.216 -10.562 1.00 0.00 H new ATOM 0 HE ARG A 147 0.961 4.695 -10.881 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -1.410 2.787 -12.683 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -0.589 3.019 -14.229 1.00 0.00 H new ATOM 0 HH21 ARG A 147 2.001 4.986 -12.871 1.00 0.00 H new ATOM 0 HH22 ARG A 147 1.332 4.258 -14.335 1.00 0.00 H new ATOM 384 N LEU A 148 0.070 -0.785 -7.294 1.00 0.00 N ATOM 385 CA LEU A 148 -0.144 -2.199 -7.580 1.00 0.00 C ATOM 386 C LEU A 148 -0.096 -3.046 -6.311 1.00 0.00 C ATOM 387 O LEU A 148 0.284 -4.217 -6.352 1.00 0.00 O ATOM 388 CB LEU A 148 0.885 -2.713 -8.599 1.00 0.00 C ATOM 389 CG LEU A 148 2.286 -2.089 -8.531 1.00 0.00 C ATOM 390 CD1 LEU A 148 2.234 -0.596 -8.825 1.00 0.00 C ATOM 391 CD2 LEU A 148 2.929 -2.370 -7.180 1.00 0.00 C ATOM 0 H LEU A 148 0.912 -0.582 -6.755 1.00 0.00 H new ATOM 0 HA LEU A 148 -1.142 -2.293 -8.009 1.00 0.00 H new ATOM 0 HB2 LEU A 148 0.985 -3.791 -8.469 1.00 0.00 H new ATOM 0 HB3 LEU A 148 0.486 -2.548 -9.600 1.00 0.00 H new ATOM 0 HG LEU A 148 2.906 -2.550 -9.300 1.00 0.00 H new ATOM 0 HD11 LEU A 148 3.240 -0.179 -8.770 1.00 0.00 H new ATOM 0 HD12 LEU A 148 1.829 -0.436 -9.824 1.00 0.00 H new ATOM 0 HD13 LEU A 148 1.596 -0.103 -8.091 1.00 0.00 H new ATOM 0 HD21 LEU A 148 3.922 -1.921 -7.149 1.00 0.00 H new ATOM 0 HD22 LEU A 148 2.313 -1.944 -6.388 1.00 0.00 H new ATOM 0 HD23 LEU A 148 3.014 -3.447 -7.034 1.00 0.00 H new ATOM 403 N VAL A 149 -0.491 -2.458 -5.189 1.00 0.00 N ATOM 404 CA VAL A 149 -0.498 -3.173 -3.917 1.00 0.00 C ATOM 405 C VAL A 149 -1.872 -3.783 -3.651 1.00 0.00 C ATOM 406 O VAL A 149 -2.875 -3.349 -4.218 1.00 0.00 O ATOM 407 CB VAL A 149 -0.099 -2.248 -2.747 1.00 0.00 C ATOM 408 CG1 VAL A 149 -0.322 -2.931 -1.403 1.00 0.00 C ATOM 409 CG2 VAL A 149 1.352 -1.816 -2.888 1.00 0.00 C ATOM 0 H VAL A 149 -0.810 -1.491 -5.133 1.00 0.00 H new ATOM 0 HA VAL A 149 0.240 -3.972 -3.987 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.736 -1.364 -2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -0.032 -2.255 -0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -1.375 -3.190 -1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.282 -3.837 -1.351 1.00 0.00 H new ATOM 0 HG21 VAL A 149 1.620 -1.164 -2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 149 1.996 -2.696 -2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.482 -1.278 -3.827 1.00 0.00 H new ATOM 419 N GLN A 150 -1.910 -4.797 -2.792 1.00 0.00 N ATOM 420 CA GLN A 150 -3.160 -5.470 -2.459 1.00 0.00 C ATOM 421 C GLN A 150 -4.013 -4.610 -1.531 1.00 0.00 C ATOM 422 O GLN A 150 -4.082 -4.856 -0.327 1.00 0.00 O ATOM 423 CB GLN A 150 -2.873 -6.823 -1.805 1.00 0.00 C ATOM 424 CG GLN A 150 -3.838 -7.919 -2.227 1.00 0.00 C ATOM 425 CD GLN A 150 -3.134 -9.226 -2.539 1.00 0.00 C ATOM 426 OE1 GLN A 150 -3.473 -9.913 -3.503 1.00 0.00 O ATOM 427 NE2 GLN A 150 -2.146 -9.576 -1.723 1.00 0.00 N ATOM 0 H GLN A 150 -1.090 -5.170 -2.314 1.00 0.00 H new ATOM 0 HA GLN A 150 -3.716 -5.631 -3.383 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -1.857 -7.129 -2.054 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -2.916 -6.710 -0.722 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -4.566 -8.083 -1.432 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -4.394 -7.591 -3.106 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -1.898 -8.977 -0.936 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -1.635 -10.444 -1.884 1.00 0.00 H new ATOM 436 N GLY A 151 -4.663 -3.601 -2.102 1.00 0.00 N ATOM 437 CA GLY A 151 -5.507 -2.721 -1.315 1.00 0.00 C ATOM 438 C GLY A 151 -6.784 -3.399 -0.862 1.00 0.00 C ATOM 439 O GLY A 151 -7.795 -3.365 -1.564 1.00 0.00 O ATOM 0 H GLY A 151 -4.620 -3.377 -3.096 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.953 -2.375 -0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.757 -1.839 -1.904 1.00 0.00 H new ATOM 443 N THR A 152 -6.740 -4.017 0.314 1.00 0.00 N ATOM 444 CA THR A 152 -7.904 -4.707 0.858 1.00 0.00 C ATOM 445 C THR A 152 -8.626 -3.839 1.883 1.00 0.00 C ATOM 446 O THR A 152 -9.288 -4.349 2.787 1.00 0.00 O ATOM 447 CB THR A 152 -7.483 -6.031 1.499 1.00 0.00 C ATOM 448 OG1 THR A 152 -8.617 -6.760 1.936 1.00 0.00 O ATOM 449 CG2 THR A 152 -6.566 -5.854 2.690 1.00 0.00 C ATOM 0 H THR A 152 -5.912 -4.054 0.908 1.00 0.00 H new ATOM 0 HA THR A 152 -8.591 -4.910 0.036 1.00 0.00 H new ATOM 0 HB THR A 152 -6.943 -6.570 0.720 1.00 0.00 H new ATOM 0 HG1 THR A 152 -9.211 -6.168 2.443 1.00 0.00 H new ATOM 0 HG21 THR A 152 -6.306 -6.831 3.097 1.00 0.00 H new ATOM 0 HG22 THR A 152 -5.658 -5.338 2.377 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.073 -5.266 3.455 1.00 0.00 H new ATOM 531 N VAL A 158 -5.513 1.034 0.116 1.00 0.00 N ATOM 532 CA VAL A 158 -4.240 0.408 0.449 1.00 0.00 C ATOM 533 C VAL A 158 -3.733 0.891 1.804 1.00 0.00 C ATOM 534 O VAL A 158 -3.627 2.093 2.045 1.00 0.00 O ATOM 535 CB VAL A 158 -3.172 0.699 -0.620 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.914 -0.115 -0.358 1.00 0.00 C ATOM 537 CG2 VAL A 158 -3.718 0.417 -2.012 1.00 0.00 C ATOM 0 HA VAL A 158 -4.416 -0.667 0.489 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.910 1.756 -0.564 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -1.172 0.105 -1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.511 0.143 0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -2.156 -1.177 -0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -2.948 0.629 -2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -4.012 -0.630 -2.082 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -4.585 1.050 -2.198 1.00 0.00 H new ATOM 547 N LEU A 159 -3.428 -0.054 2.687 1.00 0.00 N ATOM 548 CA LEU A 159 -2.937 0.278 4.021 1.00 0.00 C ATOM 549 C LEU A 159 -1.593 -0.392 4.295 1.00 0.00 C ATOM 550 O LEU A 159 -1.108 -1.195 3.495 1.00 0.00 O ATOM 551 CB LEU A 159 -3.956 -0.148 5.079 1.00 0.00 C ATOM 552 CG LEU A 159 -5.384 0.348 4.838 1.00 0.00 C ATOM 553 CD1 LEU A 159 -6.382 -0.788 4.997 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.720 1.491 5.786 1.00 0.00 C ATOM 0 H LEU A 159 -3.512 -1.054 2.504 1.00 0.00 H new ATOM 0 HA LEU A 159 -2.797 1.358 4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.969 -1.237 5.131 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.621 0.214 6.051 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.449 0.719 3.815 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -7.391 -0.414 4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -6.156 -1.574 4.276 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -6.316 -1.192 6.007 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.739 1.830 5.600 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -5.635 1.146 6.816 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.027 2.316 5.621 1.00 0.00 H new ATOM 566 N LYS A 160 -0.997 -0.057 5.435 1.00 0.00 N ATOM 567 CA LYS A 160 0.291 -0.624 5.823 1.00 0.00 C ATOM 568 C LYS A 160 0.286 -2.144 5.669 1.00 0.00 C ATOM 569 O LYS A 160 1.185 -2.723 5.055 1.00 0.00 O ATOM 570 CB LYS A 160 0.614 -0.252 7.272 1.00 0.00 C ATOM 571 CG LYS A 160 2.100 -0.260 7.589 1.00 0.00 C ATOM 572 CD LYS A 160 2.384 0.370 8.943 1.00 0.00 C ATOM 573 CE LYS A 160 3.877 0.470 9.210 1.00 0.00 C ATOM 574 NZ LYS A 160 4.174 1.329 10.390 1.00 0.00 N ATOM 0 H LYS A 160 -1.385 0.605 6.107 1.00 0.00 H new ATOM 0 HA LYS A 160 1.056 -0.212 5.165 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.212 0.740 7.481 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.106 -0.949 7.938 1.00 0.00 H new ATOM 0 HG2 LYS A 160 2.470 -1.285 7.579 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.641 0.282 6.814 1.00 0.00 H new ATOM 0 HD2 LYS A 160 1.939 1.364 8.983 1.00 0.00 H new ATOM 0 HD3 LYS A 160 1.912 -0.222 9.727 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.284 -0.528 9.376 1.00 0.00 H new ATOM 0 HE3 LYS A 160 4.377 0.876 8.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 5.202 1.371 10.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 3.809 2.288 10.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 3.719 0.928 11.235 1.00 0.00 H new ATOM 588 N GLU A 161 -0.739 -2.781 6.228 1.00 0.00 N ATOM 589 CA GLU A 161 -0.873 -4.230 6.157 1.00 0.00 C ATOM 590 C GLU A 161 -0.866 -4.705 4.707 1.00 0.00 C ATOM 591 O GLU A 161 -0.337 -5.772 4.395 1.00 0.00 O ATOM 592 CB GLU A 161 -2.161 -4.680 6.848 1.00 0.00 C ATOM 593 CG GLU A 161 -2.334 -4.105 8.245 1.00 0.00 C ATOM 594 CD GLU A 161 -2.532 -5.177 9.299 1.00 0.00 C ATOM 595 OE1 GLU A 161 -1.681 -6.088 9.387 1.00 0.00 O ATOM 596 OE2 GLU A 161 -3.538 -5.107 10.036 1.00 0.00 O ATOM 0 H GLU A 161 -1.490 -2.314 6.736 1.00 0.00 H new ATOM 0 HA GLU A 161 -0.021 -4.675 6.671 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -3.014 -4.387 6.235 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -2.170 -5.768 6.908 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -1.458 -3.509 8.499 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -3.191 -3.431 8.253 1.00 0.00 H new ATOM 603 N ASP A 162 -1.453 -3.903 3.824 1.00 0.00 N ATOM 604 CA ASP A 162 -1.509 -4.239 2.412 1.00 0.00 C ATOM 605 C ASP A 162 -0.113 -4.208 1.802 1.00 0.00 C ATOM 606 O ASP A 162 0.230 -5.049 0.972 1.00 0.00 O ATOM 607 CB ASP A 162 -2.433 -3.271 1.678 1.00 0.00 C ATOM 608 CG ASP A 162 -3.881 -3.422 2.100 1.00 0.00 C ATOM 609 OD1 ASP A 162 -4.199 -4.419 2.783 1.00 0.00 O ATOM 610 OD2 ASP A 162 -4.698 -2.547 1.747 1.00 0.00 O ATOM 0 H ASP A 162 -1.896 -3.016 4.065 1.00 0.00 H new ATOM 0 HA ASP A 162 -1.907 -5.248 2.308 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -2.107 -2.248 1.867 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.351 -3.438 0.604 1.00 0.00 H new ATOM 615 N ILE A 163 0.695 -3.244 2.233 1.00 0.00 N ATOM 616 CA ILE A 163 2.060 -3.122 1.739 1.00 0.00 C ATOM 617 C ILE A 163 2.856 -4.370 2.099 1.00 0.00 C ATOM 618 O ILE A 163 3.545 -4.950 1.257 1.00 0.00 O ATOM 619 CB ILE A 163 2.766 -1.884 2.329 1.00 0.00 C ATOM 620 CG1 ILE A 163 1.928 -0.623 2.086 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.165 -1.732 1.743 1.00 0.00 C ATOM 622 CD1 ILE A 163 2.170 0.024 0.738 1.00 0.00 C ATOM 0 H ILE A 163 0.428 -2.539 2.920 1.00 0.00 H new ATOM 0 HA ILE A 163 2.011 -3.009 0.656 1.00 0.00 H new ATOM 0 HB ILE A 163 2.867 -2.023 3.405 1.00 0.00 H new ATOM 0 HG12 ILE A 163 0.872 -0.879 2.171 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.145 0.102 2.870 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.646 -0.853 2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 163 4.755 -2.618 1.976 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.096 -1.616 0.661 1.00 0.00 H new ATOM 0 HD11 ILE A 163 1.541 0.909 0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 163 3.218 0.312 0.656 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.925 -0.683 -0.054 1.00 0.00 H new ATOM 634 N ASP A 164 2.744 -4.785 3.358 1.00 0.00 N ATOM 635 CA ASP A 164 3.441 -5.973 3.835 1.00 0.00 C ATOM 636 C ASP A 164 3.001 -7.201 3.048 1.00 0.00 C ATOM 637 O ASP A 164 3.817 -8.048 2.689 1.00 0.00 O ATOM 638 CB ASP A 164 3.172 -6.187 5.327 1.00 0.00 C ATOM 639 CG ASP A 164 3.667 -5.033 6.177 1.00 0.00 C ATOM 640 OD1 ASP A 164 2.933 -4.030 6.301 1.00 0.00 O ATOM 641 OD2 ASP A 164 4.788 -5.132 6.717 1.00 0.00 O ATOM 0 H ASP A 164 2.177 -4.316 4.065 1.00 0.00 H new ATOM 0 HA ASP A 164 4.511 -5.825 3.687 1.00 0.00 H new ATOM 0 HB2 ASP A 164 2.101 -6.317 5.485 1.00 0.00 H new ATOM 0 HB3 ASP A 164 3.657 -7.108 5.652 1.00 0.00 H new ATOM 646 N ALA A 165 1.701 -7.284 2.776 1.00 0.00 N ATOM 647 CA ALA A 165 1.149 -8.403 2.024 1.00 0.00 C ATOM 648 C ALA A 165 1.738 -8.454 0.619 1.00 0.00 C ATOM 649 O ALA A 165 2.058 -9.527 0.107 1.00 0.00 O ATOM 650 CB ALA A 165 -0.367 -8.301 1.961 1.00 0.00 C ATOM 0 H ALA A 165 1.012 -6.589 3.066 1.00 0.00 H new ATOM 0 HA ALA A 165 1.416 -9.326 2.539 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -0.765 -9.144 1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -0.775 -8.316 2.972 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -0.649 -7.370 1.470 1.00 0.00 H new ATOM 656 N PHE A 166 1.885 -7.285 0.003 1.00 0.00 N ATOM 657 CA PHE A 166 2.444 -7.195 -1.340 1.00 0.00 C ATOM 658 C PHE A 166 3.863 -7.751 -1.364 1.00 0.00 C ATOM 659 O PHE A 166 4.200 -8.589 -2.199 1.00 0.00 O ATOM 660 CB PHE A 166 2.443 -5.743 -1.824 1.00 0.00 C ATOM 661 CG PHE A 166 3.054 -5.561 -3.186 1.00 0.00 C ATOM 662 CD1 PHE A 166 4.425 -5.418 -3.329 1.00 0.00 C ATOM 663 CD2 PHE A 166 2.259 -5.535 -4.322 1.00 0.00 C ATOM 664 CE1 PHE A 166 4.993 -5.251 -4.577 1.00 0.00 C ATOM 665 CE2 PHE A 166 2.822 -5.368 -5.574 1.00 0.00 C ATOM 666 CZ PHE A 166 4.190 -5.225 -5.701 1.00 0.00 C ATOM 0 H PHE A 166 1.625 -6.388 0.413 1.00 0.00 H new ATOM 0 HA PHE A 166 1.822 -7.789 -2.010 1.00 0.00 H new ATOM 0 HB2 PHE A 166 1.417 -5.376 -1.844 1.00 0.00 H new ATOM 0 HB3 PHE A 166 2.987 -5.129 -1.106 1.00 0.00 H new ATOM 0 HD1 PHE A 166 5.057 -5.437 -2.454 1.00 0.00 H new ATOM 0 HD2 PHE A 166 1.189 -5.646 -4.228 1.00 0.00 H new ATOM 0 HE1 PHE A 166 6.063 -5.141 -4.674 1.00 0.00 H new ATOM 0 HE2 PHE A 166 2.193 -5.349 -6.452 1.00 0.00 H new ATOM 0 HZ PHE A 166 4.631 -5.093 -6.678 1.00 0.00 H new ATOM 676 N LEU A 167 4.690 -7.277 -0.437 1.00 0.00 N ATOM 677 CA LEU A 167 6.073 -7.727 -0.347 1.00 0.00 C ATOM 678 C LEU A 167 6.146 -9.155 0.185 1.00 0.00 C ATOM 679 O LEU A 167 7.063 -9.906 -0.146 1.00 0.00 O ATOM 680 CB LEU A 167 6.879 -6.791 0.556 1.00 0.00 C ATOM 681 CG LEU A 167 7.059 -5.371 0.018 1.00 0.00 C ATOM 682 CD1 LEU A 167 7.260 -4.389 1.163 1.00 0.00 C ATOM 683 CD2 LEU A 167 8.231 -5.315 -0.949 1.00 0.00 C ATOM 0 H LEU A 167 4.426 -6.582 0.261 1.00 0.00 H new ATOM 0 HA LEU A 167 6.501 -7.709 -1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 167 6.388 -6.736 1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.864 -7.228 0.721 1.00 0.00 H new ATOM 0 HG LEU A 167 6.155 -5.087 -0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.386 -3.383 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 167 6.389 -4.411 1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.148 -4.668 1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 167 8.346 -4.298 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 167 9.143 -5.617 -0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.046 -5.990 -1.785 1.00 0.00 H new