USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 323 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 138 TYR OH : rot 180:sc= 0.132 USER MOD Set 1.2: A 142 LYS NZ :NH3+ 154:sc= 0.583 (180deg=-0.502) USER MOD Single : A 132 MET CE :methyl -136:sc= 0 (180deg=-0.0621) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 132:sc= -0.391 (180deg=-1.75) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 130 -5.649 3.168 -5.110 1.00 0.00 N ATOM 82 CA ILE A 130 -6.357 3.259 -3.839 1.00 0.00 C ATOM 83 C ILE A 130 -5.432 2.942 -2.671 1.00 0.00 C ATOM 84 O ILE A 130 -4.988 1.805 -2.502 1.00 0.00 O ATOM 85 CB ILE A 130 -7.571 2.312 -3.803 1.00 0.00 C ATOM 86 CG1 ILE A 130 -8.474 2.576 -5.007 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.349 2.484 -2.505 1.00 0.00 C ATOM 88 CD1 ILE A 130 -8.214 1.649 -6.174 1.00 0.00 C ATOM 0 HA ILE A 130 -6.710 4.286 -3.744 1.00 0.00 H new ATOM 0 HB ILE A 130 -7.213 1.284 -3.850 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.515 2.476 -4.699 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -8.337 3.606 -5.335 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.202 1.806 -2.500 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.700 2.257 -1.659 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.702 3.512 -2.426 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.891 1.895 -6.992 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -7.183 1.766 -6.509 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -8.380 0.617 -5.863 1.00 0.00 H new ATOM 100 N ALA A 131 -5.146 3.958 -1.869 1.00 0.00 N ATOM 101 CA ALA A 131 -4.272 3.801 -0.713 1.00 0.00 C ATOM 102 C ALA A 131 -4.386 4.995 0.228 1.00 0.00 C ATOM 103 O ALA A 131 -4.642 6.118 -0.208 1.00 0.00 O ATOM 104 CB ALA A 131 -2.831 3.619 -1.164 1.00 0.00 C ATOM 0 H ALA A 131 -5.507 4.903 -1.998 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.587 2.911 -0.168 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.188 3.503 -0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.755 2.731 -1.791 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.515 4.493 -1.734 1.00 0.00 H new ATOM 110 N MET A 132 -4.194 4.747 1.519 1.00 0.00 N ATOM 111 CA MET A 132 -4.276 5.803 2.520 1.00 0.00 C ATOM 112 C MET A 132 -3.214 6.871 2.267 1.00 0.00 C ATOM 113 O MET A 132 -2.222 6.621 1.581 1.00 0.00 O ATOM 114 CB MET A 132 -4.109 5.218 3.924 1.00 0.00 C ATOM 115 CG MET A 132 -5.423 5.042 4.669 1.00 0.00 C ATOM 116 SD MET A 132 -5.269 5.364 6.436 1.00 0.00 S ATOM 117 CE MET A 132 -4.339 3.927 6.963 1.00 0.00 C ATOM 0 H MET A 132 -3.981 3.824 1.896 1.00 0.00 H new ATOM 0 HA MET A 132 -5.259 6.268 2.446 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.611 4.251 3.849 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.456 5.869 4.505 1.00 0.00 H new ATOM 0 HG2 MET A 132 -6.169 5.714 4.245 1.00 0.00 H new ATOM 0 HG3 MET A 132 -5.788 4.026 4.519 1.00 0.00 H new ATOM 0 HE1 MET A 132 -4.770 3.532 7.883 1.00 0.00 H new ATOM 0 HE2 MET A 132 -4.379 3.163 6.187 1.00 0.00 H new ATOM 0 HE3 MET A 132 -3.301 4.210 7.140 1.00 0.00 H new ATOM 127 N PRO A 133 -3.406 8.079 2.821 1.00 0.00 N ATOM 128 CA PRO A 133 -2.459 9.187 2.652 1.00 0.00 C ATOM 129 C PRO A 133 -1.093 8.876 3.256 1.00 0.00 C ATOM 130 O PRO A 133 -0.077 9.425 2.831 1.00 0.00 O ATOM 131 CB PRO A 133 -3.122 10.352 3.398 1.00 0.00 C ATOM 132 CG PRO A 133 -4.083 9.710 4.340 1.00 0.00 C ATOM 133 CD PRO A 133 -4.559 8.462 3.654 1.00 0.00 C ATOM 0 HA PRO A 133 -2.267 9.397 1.600 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.384 10.949 3.933 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -3.634 11.022 2.708 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -3.602 9.475 5.289 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -4.917 10.376 4.562 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.816 7.681 4.370 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.448 8.647 3.051 1.00 0.00 H new ATOM 141 N SER A 134 -1.078 7.994 4.250 1.00 0.00 N ATOM 142 CA SER A 134 0.164 7.611 4.912 1.00 0.00 C ATOM 143 C SER A 134 0.793 6.397 4.236 1.00 0.00 C ATOM 144 O SER A 134 2.014 6.246 4.221 1.00 0.00 O ATOM 145 CB SER A 134 -0.093 7.309 6.388 1.00 0.00 C ATOM 146 OG SER A 134 -0.893 6.148 6.540 1.00 0.00 O ATOM 0 H SER A 134 -1.911 7.531 4.615 1.00 0.00 H new ATOM 0 HA SER A 134 0.859 8.447 4.833 1.00 0.00 H new ATOM 0 HB2 SER A 134 0.857 7.170 6.905 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.589 8.160 6.855 1.00 0.00 H new ATOM 0 HG SER A 134 -1.041 5.976 7.493 1.00 0.00 H new ATOM 152 N VAL A 135 -0.049 5.532 3.679 1.00 0.00 N ATOM 153 CA VAL A 135 0.428 4.330 3.005 1.00 0.00 C ATOM 154 C VAL A 135 1.159 4.670 1.720 1.00 0.00 C ATOM 155 O VAL A 135 2.247 4.162 1.462 1.00 0.00 O ATOM 156 CB VAL A 135 -0.722 3.365 2.681 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.197 2.116 1.982 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.473 3.007 3.950 1.00 0.00 C ATOM 0 H VAL A 135 -1.063 5.641 3.681 1.00 0.00 H new ATOM 0 HA VAL A 135 1.117 3.843 3.696 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.414 3.859 1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -1.028 1.446 1.762 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.297 2.400 1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.516 1.608 2.631 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.287 2.322 3.710 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.791 2.529 4.653 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.881 3.913 4.399 1.00 0.00 H new ATOM 168 N ARG A 136 0.560 5.532 0.915 1.00 0.00 N ATOM 169 CA ARG A 136 1.170 5.933 -0.344 1.00 0.00 C ATOM 170 C ARG A 136 2.574 6.465 -0.093 1.00 0.00 C ATOM 171 O ARG A 136 3.462 6.332 -0.932 1.00 0.00 O ATOM 172 CB ARG A 136 0.318 6.999 -1.035 1.00 0.00 C ATOM 173 CG ARG A 136 -0.997 6.468 -1.581 1.00 0.00 C ATOM 174 CD ARG A 136 -2.129 7.462 -1.376 1.00 0.00 C ATOM 175 NE ARG A 136 -1.973 8.649 -2.213 1.00 0.00 N ATOM 176 CZ ARG A 136 -2.598 9.803 -1.987 1.00 0.00 C ATOM 177 NH1 ARG A 136 -3.420 9.929 -0.954 1.00 0.00 N ATOM 178 NH2 ARG A 136 -2.398 10.834 -2.797 1.00 0.00 N ATOM 0 H ARG A 136 -0.343 5.966 1.108 1.00 0.00 H new ATOM 0 HA ARG A 136 1.231 5.062 -0.997 1.00 0.00 H new ATOM 0 HB2 ARG A 136 0.110 7.801 -0.327 1.00 0.00 H new ATOM 0 HB3 ARG A 136 0.891 7.436 -1.853 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.890 6.252 -2.644 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.244 5.528 -1.088 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -3.080 6.980 -1.603 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -2.165 7.759 -0.328 1.00 0.00 H new ATOM 0 HE ARG A 136 -1.349 8.591 -3.018 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -3.576 9.139 -0.327 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -3.896 10.815 -0.786 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -1.766 10.743 -3.592 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -2.876 11.718 -2.625 1.00 0.00 H new ATOM 192 N LYS A 137 2.768 7.048 1.087 1.00 0.00 N ATOM 193 CA LYS A 137 4.063 7.580 1.475 1.00 0.00 C ATOM 194 C LYS A 137 4.986 6.452 1.901 1.00 0.00 C ATOM 195 O LYS A 137 6.175 6.446 1.577 1.00 0.00 O ATOM 196 CB LYS A 137 3.906 8.589 2.615 1.00 0.00 C ATOM 197 CG LYS A 137 5.190 9.329 2.952 1.00 0.00 C ATOM 198 CD LYS A 137 5.348 10.583 2.108 1.00 0.00 C ATOM 199 CE LYS A 137 6.789 11.067 2.095 1.00 0.00 C ATOM 200 NZ LYS A 137 7.720 10.025 1.582 1.00 0.00 N ATOM 0 H LYS A 137 2.039 7.162 1.791 1.00 0.00 H new ATOM 0 HA LYS A 137 4.500 8.089 0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.139 9.314 2.344 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.552 8.068 3.505 1.00 0.00 H new ATOM 0 HG2 LYS A 137 5.190 9.598 4.008 1.00 0.00 H new ATOM 0 HG3 LYS A 137 6.044 8.671 2.791 1.00 0.00 H new ATOM 0 HD2 LYS A 137 5.022 10.380 1.088 1.00 0.00 H new ATOM 0 HD3 LYS A 137 4.702 11.370 2.498 1.00 0.00 H new ATOM 0 HE2 LYS A 137 6.866 11.960 1.475 1.00 0.00 H new ATOM 0 HE3 LYS A 137 7.085 11.353 3.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 8.352 10.444 0.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 8.287 9.648 2.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 7.173 9.254 1.149 1.00 0.00 H new ATOM 214 N TYR A 138 4.428 5.500 2.641 1.00 0.00 N ATOM 215 CA TYR A 138 5.196 4.366 3.127 1.00 0.00 C ATOM 216 C TYR A 138 5.671 3.492 1.972 1.00 0.00 C ATOM 217 O TYR A 138 6.847 3.148 1.890 1.00 0.00 O ATOM 218 CB TYR A 138 4.346 3.542 4.084 1.00 0.00 C ATOM 219 CG TYR A 138 5.045 2.297 4.570 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.219 2.379 5.306 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.540 1.041 4.276 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.868 1.240 5.737 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.181 -0.100 4.704 1.00 0.00 C ATOM 224 CZ TYR A 138 6.346 0.002 5.434 1.00 0.00 C ATOM 225 OH TYR A 138 6.989 -1.137 5.861 1.00 0.00 O ATOM 0 H TYR A 138 3.446 5.494 2.916 1.00 0.00 H new ATOM 0 HA TYR A 138 6.073 4.744 3.652 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.074 4.157 4.941 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.418 3.260 3.586 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.631 3.349 5.545 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.629 0.955 3.702 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.781 1.319 6.309 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.772 -1.072 4.469 1.00 0.00 H new ATOM 0 HH TYR A 138 6.489 -1.926 5.564 1.00 0.00 H new ATOM 235 N ALA A 139 4.759 3.162 1.066 1.00 0.00 N ATOM 236 CA ALA A 139 5.108 2.362 -0.096 1.00 0.00 C ATOM 237 C ALA A 139 6.051 3.160 -0.972 1.00 0.00 C ATOM 238 O ALA A 139 7.077 2.663 -1.426 1.00 0.00 O ATOM 239 CB ALA A 139 3.864 1.964 -0.876 1.00 0.00 C ATOM 0 H ALA A 139 3.778 3.435 1.115 1.00 0.00 H new ATOM 0 HA ALA A 139 5.597 1.445 0.232 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.152 1.366 -1.741 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.204 1.380 -0.235 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.343 2.860 -1.212 1.00 0.00 H new ATOM 245 N ARG A 140 5.702 4.423 -1.179 1.00 0.00 N ATOM 246 CA ARG A 140 6.523 5.320 -1.978 1.00 0.00 C ATOM 247 C ARG A 140 7.948 5.355 -1.430 1.00 0.00 C ATOM 248 O ARG A 140 8.910 5.521 -2.179 1.00 0.00 O ATOM 249 CB ARG A 140 5.914 6.727 -1.975 1.00 0.00 C ATOM 250 CG ARG A 140 6.783 7.775 -2.654 1.00 0.00 C ATOM 251 CD ARG A 140 6.738 7.639 -4.167 1.00 0.00 C ATOM 252 NE ARG A 140 7.144 8.871 -4.841 1.00 0.00 N ATOM 253 CZ ARG A 140 6.378 9.955 -4.930 1.00 0.00 C ATOM 254 NH1 ARG A 140 5.165 9.966 -4.389 1.00 0.00 N ATOM 255 NH2 ARG A 140 6.825 11.032 -5.561 1.00 0.00 N ATOM 0 H ARG A 140 4.855 4.849 -0.804 1.00 0.00 H new ATOM 0 HA ARG A 140 6.555 4.954 -3.004 1.00 0.00 H new ATOM 0 HB2 ARG A 140 4.945 6.694 -2.473 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.732 7.032 -0.944 1.00 0.00 H new ATOM 0 HG2 ARG A 140 6.446 8.771 -2.367 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.812 7.675 -2.309 1.00 0.00 H new ATOM 0 HD2 ARG A 140 7.392 6.824 -4.477 1.00 0.00 H new ATOM 0 HD3 ARG A 140 5.728 7.373 -4.477 1.00 0.00 H new ATOM 0 HE ARG A 140 8.070 8.901 -5.268 1.00 0.00 H new ATOM 0 HH11 ARG A 140 4.816 9.140 -3.902 1.00 0.00 H new ATOM 0 HH12 ARG A 140 4.582 10.800 -4.460 1.00 0.00 H new ATOM 0 HH21 ARG A 140 7.756 11.029 -5.978 1.00 0.00 H new ATOM 0 HH22 ARG A 140 6.238 11.863 -5.629 1.00 0.00 H new ATOM 269 N GLU A 141 8.070 5.190 -0.114 1.00 0.00 N ATOM 270 CA GLU A 141 9.368 5.194 0.545 1.00 0.00 C ATOM 271 C GLU A 141 10.012 3.816 0.487 1.00 0.00 C ATOM 272 O GLU A 141 11.226 3.689 0.334 1.00 0.00 O ATOM 273 CB GLU A 141 9.214 5.634 2.000 1.00 0.00 C ATOM 274 CG GLU A 141 9.048 7.133 2.168 1.00 0.00 C ATOM 275 CD GLU A 141 10.368 7.878 2.105 1.00 0.00 C ATOM 276 OE1 GLU A 141 10.933 7.991 0.998 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.835 8.348 3.164 1.00 0.00 O ATOM 0 H GLU A 141 7.280 5.052 0.516 1.00 0.00 H new ATOM 0 HA GLU A 141 10.014 5.898 0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.350 5.131 2.433 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.088 5.308 2.564 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.385 7.511 1.390 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.566 7.336 3.124 1.00 0.00 H new ATOM 284 N LYS A 142 9.185 2.787 0.623 1.00 0.00 N ATOM 285 CA LYS A 142 9.658 1.412 0.602 1.00 0.00 C ATOM 286 C LYS A 142 9.799 0.881 -0.826 1.00 0.00 C ATOM 287 O LYS A 142 9.715 -0.325 -1.055 1.00 0.00 O ATOM 288 CB LYS A 142 8.684 0.533 1.390 1.00 0.00 C ATOM 289 CG LYS A 142 8.643 0.825 2.887 1.00 0.00 C ATOM 290 CD LYS A 142 10.015 1.173 3.444 1.00 0.00 C ATOM 291 CE LYS A 142 9.944 1.526 4.920 1.00 0.00 C ATOM 292 NZ LYS A 142 9.813 0.314 5.775 1.00 0.00 N ATOM 0 H LYS A 142 8.177 2.882 0.750 1.00 0.00 H new ATOM 0 HA LYS A 142 10.646 1.385 1.061 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.683 0.662 0.979 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.956 -0.512 1.243 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.957 1.650 3.075 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.249 -0.044 3.414 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.691 0.329 3.303 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.432 2.012 2.888 1.00 0.00 H new ATOM 0 HE2 LYS A 142 10.841 2.076 5.205 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.095 2.187 5.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 10.197 0.513 6.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 8.809 0.054 5.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 10.341 -0.473 5.345 1.00 0.00 H new ATOM 306 N GLY A 143 10.013 1.781 -1.786 1.00 0.00 N ATOM 307 CA GLY A 143 10.158 1.365 -3.171 1.00 0.00 C ATOM 308 C GLY A 143 8.994 0.517 -3.652 1.00 0.00 C ATOM 309 O GLY A 143 9.122 -0.241 -4.615 1.00 0.00 O ATOM 0 H GLY A 143 10.088 2.786 -1.629 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.245 2.248 -3.804 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.084 0.801 -3.282 1.00 0.00 H new ATOM 313 N VAL A 144 7.859 0.647 -2.977 1.00 0.00 N ATOM 314 CA VAL A 144 6.660 -0.102 -3.323 1.00 0.00 C ATOM 315 C VAL A 144 5.588 0.816 -3.897 1.00 0.00 C ATOM 316 O VAL A 144 5.430 1.955 -3.458 1.00 0.00 O ATOM 317 CB VAL A 144 6.091 -0.835 -2.089 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.702 -1.394 -2.371 1.00 0.00 C ATOM 319 CG2 VAL A 144 7.036 -1.940 -1.646 1.00 0.00 C ATOM 0 H VAL A 144 7.745 1.271 -2.179 1.00 0.00 H new ATOM 0 HA VAL A 144 6.944 -0.836 -4.077 1.00 0.00 H new ATOM 0 HB VAL A 144 5.999 -0.111 -1.279 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.328 -1.904 -1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 144 4.028 -0.578 -2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.755 -2.100 -3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.620 -2.447 -0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.163 -2.657 -2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 144 8.003 -1.510 -1.388 1.00 0.00 H new ATOM 329 N ASP A 145 4.848 0.305 -4.870 1.00 0.00 N ATOM 330 CA ASP A 145 3.779 1.063 -5.498 1.00 0.00 C ATOM 331 C ASP A 145 2.439 0.393 -5.231 1.00 0.00 C ATOM 332 O ASP A 145 2.291 -0.815 -5.415 1.00 0.00 O ATOM 333 CB ASP A 145 4.020 1.183 -7.004 1.00 0.00 C ATOM 334 CG ASP A 145 3.157 2.254 -7.643 1.00 0.00 C ATOM 335 OD1 ASP A 145 1.917 2.151 -7.550 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.724 3.195 -8.237 1.00 0.00 O ATOM 0 H ASP A 145 4.970 -0.637 -5.242 1.00 0.00 H new ATOM 0 HA ASP A 145 3.765 2.066 -5.070 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.071 1.411 -7.184 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.816 0.224 -7.480 1.00 0.00 H new ATOM 341 N ILE A 146 1.465 1.179 -4.795 1.00 0.00 N ATOM 342 CA ILE A 146 0.136 0.657 -4.501 1.00 0.00 C ATOM 343 C ILE A 146 -0.405 -0.168 -5.668 1.00 0.00 C ATOM 344 O ILE A 146 -1.267 -1.027 -5.485 1.00 0.00 O ATOM 345 CB ILE A 146 -0.856 1.793 -4.179 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.287 2.707 -3.092 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.197 1.221 -3.741 1.00 0.00 C ATOM 348 CD1 ILE A 146 0.053 1.982 -1.808 1.00 0.00 C ATOM 0 H ILE A 146 1.569 2.181 -4.637 1.00 0.00 H new ATOM 0 HA ILE A 146 0.235 0.015 -3.626 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.010 2.383 -5.083 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.610 3.195 -3.472 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -1.010 3.493 -2.875 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.885 2.036 -3.518 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.610 0.607 -4.542 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -2.058 0.609 -2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.451 2.692 -1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.846 1.517 -1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.799 1.214 -2.011 1.00 0.00 H new ATOM 360 N ARG A 147 0.112 0.091 -6.868 1.00 0.00 N ATOM 361 CA ARG A 147 -0.320 -0.636 -8.055 1.00 0.00 C ATOM 362 C ARG A 147 0.037 -2.112 -7.935 1.00 0.00 C ATOM 363 O ARG A 147 -0.700 -2.983 -8.397 1.00 0.00 O ATOM 364 CB ARG A 147 0.324 -0.041 -9.309 1.00 0.00 C ATOM 365 CG ARG A 147 -0.521 1.036 -9.972 1.00 0.00 C ATOM 366 CD ARG A 147 0.308 2.261 -10.323 1.00 0.00 C ATOM 367 NE ARG A 147 -0.273 3.016 -11.431 1.00 0.00 N ATOM 368 CZ ARG A 147 0.030 4.284 -11.704 1.00 0.00 C ATOM 369 NH1 ARG A 147 0.905 4.941 -10.954 1.00 0.00 N ATOM 370 NH2 ARG A 147 -0.545 4.895 -12.732 1.00 0.00 N ATOM 0 H ARG A 147 0.828 0.797 -7.041 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.403 -0.544 -8.139 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.294 0.381 -9.045 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.509 -0.840 -10.027 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -0.979 0.635 -10.876 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -1.333 1.325 -9.304 1.00 0.00 H new ATOM 0 HD2 ARG A 147 0.390 2.906 -9.448 1.00 0.00 H new ATOM 0 HD3 ARG A 147 1.319 1.951 -10.586 1.00 0.00 H new ATOM 0 HE ARG A 147 -0.950 2.544 -12.030 1.00 0.00 H new ATOM 0 HH11 ARG A 147 1.350 4.475 -10.163 1.00 0.00 H new ATOM 0 HH12 ARG A 147 1.133 5.912 -11.168 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -1.218 4.394 -13.312 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -0.314 5.866 -12.942 1.00 0.00 H new ATOM 384 N LEU A 148 1.172 -2.380 -7.303 1.00 0.00 N ATOM 385 CA LEU A 148 1.639 -3.743 -7.104 1.00 0.00 C ATOM 386 C LEU A 148 1.101 -4.320 -5.796 1.00 0.00 C ATOM 387 O LEU A 148 1.391 -5.465 -5.449 1.00 0.00 O ATOM 388 CB LEU A 148 3.168 -3.781 -7.095 1.00 0.00 C ATOM 389 CG LEU A 148 3.857 -2.592 -7.765 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.360 -2.677 -7.583 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.497 -2.530 -9.242 1.00 0.00 C ATOM 0 H LEU A 148 1.789 -1.665 -6.917 1.00 0.00 H new ATOM 0 HA LEU A 148 1.268 -4.351 -7.929 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.507 -3.840 -6.061 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.495 -4.695 -7.590 1.00 0.00 H new ATOM 0 HG LEU A 148 3.506 -1.676 -7.289 1.00 0.00 H new ATOM 0 HD11 LEU A 148 5.834 -1.823 -8.066 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.599 -2.671 -6.519 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.729 -3.599 -8.032 1.00 0.00 H new ATOM 0 HD21 LEU A 148 3.996 -1.678 -9.703 1.00 0.00 H new ATOM 0 HD22 LEU A 148 3.818 -3.448 -9.734 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.418 -2.420 -9.349 1.00 0.00 H new ATOM 403 N VAL A 149 0.322 -3.520 -5.070 1.00 0.00 N ATOM 404 CA VAL A 149 -0.244 -3.954 -3.800 1.00 0.00 C ATOM 405 C VAL A 149 -1.766 -3.946 -3.840 1.00 0.00 C ATOM 406 O VAL A 149 -2.390 -2.889 -3.932 1.00 0.00 O ATOM 407 CB VAL A 149 0.230 -3.058 -2.639 1.00 0.00 C ATOM 408 CG1 VAL A 149 -0.004 -3.744 -1.304 1.00 0.00 C ATOM 409 CG2 VAL A 149 1.698 -2.688 -2.806 1.00 0.00 C ATOM 0 H VAL A 149 0.070 -2.570 -5.341 1.00 0.00 H new ATOM 0 HA VAL A 149 0.106 -4.973 -3.633 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.355 -2.138 -2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.337 -3.096 -0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -1.068 -3.947 -1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.551 -4.682 -1.275 1.00 0.00 H new ATOM 0 HG21 VAL A 149 2.011 -2.055 -1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.303 -3.595 -2.819 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.833 -2.149 -3.743 1.00 0.00 H new ATOM 419 N GLN A 150 -2.357 -5.132 -3.762 1.00 0.00 N ATOM 420 CA GLN A 150 -3.807 -5.265 -3.781 1.00 0.00 C ATOM 421 C GLN A 150 -4.401 -4.754 -2.468 1.00 0.00 C ATOM 422 O GLN A 150 -4.299 -5.412 -1.431 1.00 0.00 O ATOM 423 CB GLN A 150 -4.195 -6.731 -4.034 1.00 0.00 C ATOM 424 CG GLN A 150 -5.313 -7.254 -3.145 1.00 0.00 C ATOM 425 CD GLN A 150 -5.939 -8.527 -3.682 1.00 0.00 C ATOM 426 OE1 GLN A 150 -6.801 -8.486 -4.560 1.00 0.00 O ATOM 427 NE2 GLN A 150 -5.507 -9.668 -3.155 1.00 0.00 N ATOM 0 H GLN A 150 -1.853 -6.016 -3.685 1.00 0.00 H new ATOM 0 HA GLN A 150 -4.214 -4.660 -4.591 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -4.497 -6.838 -5.076 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -3.313 -7.356 -3.892 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -4.920 -7.440 -2.146 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -6.083 -6.488 -3.047 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -4.791 -9.655 -2.429 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -5.892 -10.556 -3.477 1.00 0.00 H new ATOM 436 N GLY A 151 -5.012 -3.576 -2.520 1.00 0.00 N ATOM 437 CA GLY A 151 -5.602 -2.995 -1.329 1.00 0.00 C ATOM 438 C GLY A 151 -6.782 -3.792 -0.811 1.00 0.00 C ATOM 439 O GLY A 151 -7.703 -4.109 -1.562 1.00 0.00 O ATOM 0 H GLY A 151 -5.109 -3.013 -3.365 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.844 -2.928 -0.549 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.925 -1.977 -1.548 1.00 0.00 H new ATOM 443 N THR A 152 -6.753 -4.115 0.479 1.00 0.00 N ATOM 444 CA THR A 152 -7.827 -4.877 1.104 1.00 0.00 C ATOM 445 C THR A 152 -8.497 -4.068 2.214 1.00 0.00 C ATOM 446 O THR A 152 -9.048 -4.634 3.157 1.00 0.00 O ATOM 447 CB THR A 152 -7.282 -6.190 1.671 1.00 0.00 C ATOM 448 OG1 THR A 152 -5.891 -6.090 1.918 1.00 0.00 O ATOM 449 CG2 THR A 152 -7.500 -7.373 0.753 1.00 0.00 C ATOM 0 H THR A 152 -5.995 -3.860 1.112 1.00 0.00 H new ATOM 0 HA THR A 152 -8.574 -5.099 0.342 1.00 0.00 H new ATOM 0 HB THR A 152 -7.836 -6.359 2.594 1.00 0.00 H new ATOM 0 HG1 THR A 152 -5.561 -6.938 2.281 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.091 -8.272 1.214 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.568 -7.508 0.581 1.00 0.00 H new ATOM 0 HG23 THR A 152 -6.999 -7.193 -0.198 1.00 0.00 H new ATOM 457 N GLY A 153 -8.434 -2.742 2.106 1.00 0.00 N ATOM 458 CA GLY A 153 -9.028 -1.889 3.120 1.00 0.00 C ATOM 459 C GLY A 153 -10.274 -1.164 2.641 1.00 0.00 C ATOM 460 O GLY A 153 -10.250 -0.473 1.624 1.00 0.00 O ATOM 0 H GLY A 153 -7.984 -2.246 1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.280 -2.494 3.991 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.291 -1.155 3.444 1.00 0.00 H new ATOM 464 N LYS A 154 -11.360 -1.312 3.392 1.00 0.00 N ATOM 465 CA LYS A 154 -12.623 -0.660 3.060 1.00 0.00 C ATOM 466 C LYS A 154 -13.170 -1.143 1.714 1.00 0.00 C ATOM 467 O LYS A 154 -13.935 -2.105 1.661 1.00 0.00 O ATOM 468 CB LYS A 154 -12.445 0.862 3.049 1.00 0.00 C ATOM 469 CG LYS A 154 -12.887 1.535 4.338 1.00 0.00 C ATOM 470 CD LYS A 154 -14.241 2.211 4.179 1.00 0.00 C ATOM 471 CE LYS A 154 -14.159 3.412 3.249 1.00 0.00 C ATOM 472 NZ LYS A 154 -14.191 4.698 3.998 1.00 0.00 N ATOM 0 H LYS A 154 -11.391 -1.880 4.238 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.349 -0.929 3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -11.396 1.096 2.868 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -13.012 1.280 2.217 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -12.940 0.795 5.136 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -12.143 2.274 4.637 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -14.963 1.494 3.787 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -14.607 2.530 5.155 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -13.241 3.356 2.664 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -14.989 3.382 2.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -14.133 5.491 3.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -15.078 4.764 4.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -13.384 4.738 4.653 1.00 0.00 H new ATOM 486 N ASN A 155 -12.787 -0.467 0.631 1.00 0.00 N ATOM 487 CA ASN A 155 -13.260 -0.834 -0.701 1.00 0.00 C ATOM 488 C ASN A 155 -12.118 -1.339 -1.580 1.00 0.00 C ATOM 489 O ASN A 155 -12.218 -1.322 -2.807 1.00 0.00 O ATOM 490 CB ASN A 155 -13.941 0.365 -1.367 1.00 0.00 C ATOM 491 CG ASN A 155 -15.445 0.198 -1.456 1.00 0.00 C ATOM 492 OD1 ASN A 155 -16.006 0.092 -2.547 1.00 0.00 O ATOM 493 ND2 ASN A 155 -16.108 0.175 -0.305 1.00 0.00 N ATOM 0 H ASN A 155 -12.154 0.333 0.650 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.981 -1.643 -0.588 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -13.711 1.269 -0.804 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -13.533 0.501 -2.369 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -17.122 0.066 -0.303 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -15.603 0.266 0.576 1.00 0.00 H new ATOM 500 N GLY A 156 -11.038 -1.792 -0.953 1.00 0.00 N ATOM 501 CA GLY A 156 -9.907 -2.299 -1.707 1.00 0.00 C ATOM 502 C GLY A 156 -8.689 -1.396 -1.620 1.00 0.00 C ATOM 503 O GLY A 156 -7.850 -1.389 -2.521 1.00 0.00 O ATOM 0 H GLY A 156 -10.926 -1.817 0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.645 -3.291 -1.338 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.195 -2.413 -2.752 1.00 0.00 H new ATOM 507 N ARG A 157 -8.593 -0.635 -0.536 1.00 0.00 N ATOM 508 CA ARG A 157 -7.471 0.277 -0.336 1.00 0.00 C ATOM 509 C ARG A 157 -6.290 -0.445 0.306 1.00 0.00 C ATOM 510 O ARG A 157 -6.472 -1.363 1.106 1.00 0.00 O ATOM 511 CB ARG A 157 -7.901 1.458 0.540 1.00 0.00 C ATOM 512 CG ARG A 157 -6.779 2.445 0.825 1.00 0.00 C ATOM 513 CD ARG A 157 -7.102 3.334 2.016 1.00 0.00 C ATOM 514 NE ARG A 157 -7.623 2.572 3.149 1.00 0.00 N ATOM 515 CZ ARG A 157 -8.916 2.463 3.445 1.00 0.00 C ATOM 516 NH1 ARG A 157 -9.836 3.050 2.687 1.00 0.00 N ATOM 517 NH2 ARG A 157 -9.293 1.757 4.503 1.00 0.00 N ATOM 0 H ARG A 157 -9.279 -0.631 0.219 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.157 0.650 -1.311 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.720 1.984 0.050 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.287 1.077 1.485 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -5.855 1.900 1.018 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.606 3.064 -0.055 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -6.203 3.868 2.323 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -7.834 4.085 1.719 1.00 0.00 H new ATOM 0 HE ARG A 157 -6.953 2.093 3.751 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -9.554 3.590 1.869 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -10.824 2.960 2.923 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -8.593 1.300 5.087 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -10.283 1.672 4.733 1.00 0.00 H new ATOM 531 N VAL A 158 -5.081 -0.025 -0.051 1.00 0.00 N ATOM 532 CA VAL A 158 -3.871 -0.633 0.492 1.00 0.00 C ATOM 533 C VAL A 158 -3.514 -0.030 1.845 1.00 0.00 C ATOM 534 O VAL A 158 -3.568 1.185 2.034 1.00 0.00 O ATOM 535 CB VAL A 158 -2.674 -0.481 -0.479 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.345 -0.677 0.240 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.797 -1.468 -1.626 1.00 0.00 C ATOM 0 H VAL A 158 -4.913 0.733 -0.713 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.078 -1.695 0.622 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.695 0.534 -0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.527 -0.564 -0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.245 0.067 1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.311 -1.675 0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.949 -1.350 -2.300 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.808 -2.484 -1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.722 -1.280 -2.170 1.00 0.00 H new ATOM 547 N LEU A 159 -3.142 -0.896 2.778 1.00 0.00 N ATOM 548 CA LEU A 159 -2.765 -0.469 4.117 1.00 0.00 C ATOM 549 C LEU A 159 -1.261 -0.609 4.315 1.00 0.00 C ATOM 550 O LEU A 159 -0.589 -1.286 3.539 1.00 0.00 O ATOM 551 CB LEU A 159 -3.505 -1.308 5.160 1.00 0.00 C ATOM 552 CG LEU A 159 -5.023 -1.106 5.204 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.604 -1.702 6.477 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.377 0.371 5.097 1.00 0.00 C ATOM 0 H LEU A 159 -3.093 -1.904 2.630 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.039 0.579 4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.300 -2.361 4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.096 -1.079 6.144 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.459 -1.623 4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.683 -1.549 6.491 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.388 -2.770 6.510 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.157 -1.215 7.344 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.460 0.489 5.131 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -4.927 0.914 5.928 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -4.998 0.769 4.156 1.00 0.00 H new ATOM 566 N LYS A 160 -0.730 0.018 5.359 1.00 0.00 N ATOM 567 CA LYS A 160 0.698 -0.074 5.633 1.00 0.00 C ATOM 568 C LYS A 160 1.094 -1.534 5.797 1.00 0.00 C ATOM 569 O LYS A 160 2.185 -1.944 5.399 1.00 0.00 O ATOM 570 CB LYS A 160 1.070 0.720 6.885 1.00 0.00 C ATOM 571 CG LYS A 160 2.571 0.860 7.088 1.00 0.00 C ATOM 572 CD LYS A 160 2.982 2.318 7.230 1.00 0.00 C ATOM 573 CE LYS A 160 4.162 2.475 8.176 1.00 0.00 C ATOM 574 NZ LYS A 160 4.027 3.683 9.036 1.00 0.00 N ATOM 0 H LYS A 160 -1.258 0.587 6.020 1.00 0.00 H new ATOM 0 HA LYS A 160 1.241 0.355 4.791 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.625 1.713 6.822 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.637 0.232 7.758 1.00 0.00 H new ATOM 0 HG2 LYS A 160 2.872 0.308 7.979 1.00 0.00 H new ATOM 0 HG3 LYS A 160 3.096 0.414 6.244 1.00 0.00 H new ATOM 0 HD2 LYS A 160 3.243 2.720 6.251 1.00 0.00 H new ATOM 0 HD3 LYS A 160 2.138 2.901 7.599 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.243 1.589 8.805 1.00 0.00 H new ATOM 0 HE3 LYS A 160 5.084 2.542 7.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 4.851 3.754 9.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 3.975 4.532 8.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 3.160 3.608 9.606 1.00 0.00 H new ATOM 588 N GLU A 161 0.184 -2.321 6.363 1.00 0.00 N ATOM 589 CA GLU A 161 0.422 -3.743 6.552 1.00 0.00 C ATOM 590 C GLU A 161 0.576 -4.409 5.193 1.00 0.00 C ATOM 591 O GLU A 161 1.382 -5.323 5.021 1.00 0.00 O ATOM 592 CB GLU A 161 -0.730 -4.383 7.328 1.00 0.00 C ATOM 593 CG GLU A 161 -1.022 -3.701 8.656 1.00 0.00 C ATOM 594 CD GLU A 161 -0.031 -4.081 9.738 1.00 0.00 C ATOM 595 OE1 GLU A 161 0.375 -5.261 9.782 1.00 0.00 O ATOM 596 OE2 GLU A 161 0.340 -3.197 10.540 1.00 0.00 O ATOM 0 H GLU A 161 -0.723 -1.996 6.697 1.00 0.00 H new ATOM 0 HA GLU A 161 1.336 -3.879 7.130 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.629 -4.360 6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.495 -5.432 7.511 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -1.005 -2.620 8.516 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -2.028 -3.964 8.982 1.00 0.00 H new ATOM 603 N ASP A 162 -0.197 -3.923 4.223 1.00 0.00 N ATOM 604 CA ASP A 162 -0.139 -4.447 2.866 1.00 0.00 C ATOM 605 C ASP A 162 1.229 -4.158 2.260 1.00 0.00 C ATOM 606 O ASP A 162 1.880 -5.044 1.706 1.00 0.00 O ATOM 607 CB ASP A 162 -1.237 -3.819 2.007 1.00 0.00 C ATOM 608 CG ASP A 162 -2.553 -4.563 2.108 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.551 -5.801 1.941 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.586 -3.906 2.357 1.00 0.00 O ATOM 0 H ASP A 162 -0.869 -3.167 4.355 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.296 -5.525 2.897 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.385 -2.783 2.313 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -0.913 -3.801 0.966 1.00 0.00 H new ATOM 615 N ILE A 163 1.658 -2.907 2.388 1.00 0.00 N ATOM 616 CA ILE A 163 2.955 -2.474 1.877 1.00 0.00 C ATOM 617 C ILE A 163 4.065 -3.379 2.397 1.00 0.00 C ATOM 618 O ILE A 163 4.840 -3.941 1.622 1.00 0.00 O ATOM 619 CB ILE A 163 3.271 -1.024 2.299 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.115 -0.094 1.936 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.570 -0.545 1.653 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.777 -0.112 0.469 1.00 0.00 C ATOM 0 H ILE A 163 1.122 -2.169 2.845 1.00 0.00 H new ATOM 0 HA ILE A 163 2.905 -2.529 0.790 1.00 0.00 H new ATOM 0 HB ILE A 163 3.400 -1.004 3.381 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.233 -0.381 2.509 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.370 0.924 2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.775 0.480 1.964 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.391 -1.190 1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.472 -0.583 0.568 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.948 0.570 0.278 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.646 0.203 -0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.492 -1.122 0.174 1.00 0.00 H new ATOM 634 N ASP A 164 4.133 -3.513 3.718 1.00 0.00 N ATOM 635 CA ASP A 164 5.144 -4.350 4.352 1.00 0.00 C ATOM 636 C ASP A 164 5.077 -5.775 3.815 1.00 0.00 C ATOM 637 O ASP A 164 6.105 -6.406 3.567 1.00 0.00 O ATOM 638 CB ASP A 164 4.955 -4.354 5.869 1.00 0.00 C ATOM 639 CG ASP A 164 6.272 -4.441 6.616 1.00 0.00 C ATOM 640 OD1 ASP A 164 7.153 -5.209 6.177 1.00 0.00 O ATOM 641 OD2 ASP A 164 6.421 -3.740 7.639 1.00 0.00 O ATOM 0 H ASP A 164 3.499 -3.052 4.370 1.00 0.00 H new ATOM 0 HA ASP A 164 6.125 -3.936 4.118 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.429 -3.447 6.169 1.00 0.00 H new ATOM 0 HB3 ASP A 164 4.324 -5.197 6.151 1.00 0.00 H new ATOM 646 N ALA A 165 3.859 -6.275 3.630 1.00 0.00 N ATOM 647 CA ALA A 165 3.657 -7.623 3.115 1.00 0.00 C ATOM 648 C ALA A 165 4.280 -7.770 1.733 1.00 0.00 C ATOM 649 O ALA A 165 4.865 -8.804 1.410 1.00 0.00 O ATOM 650 CB ALA A 165 2.172 -7.952 3.065 1.00 0.00 C ATOM 0 H ALA A 165 2.998 -5.766 3.829 1.00 0.00 H new ATOM 0 HA ALA A 165 4.148 -8.326 3.788 1.00 0.00 H new ATOM 0 HB1 ALA A 165 2.036 -8.962 2.678 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.751 -7.888 4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.664 -7.242 2.412 1.00 0.00 H new ATOM 656 N TRP A 166 4.159 -6.722 0.923 1.00 0.00 N ATOM 657 CA TRP A 166 4.718 -6.726 -0.423 1.00 0.00 C ATOM 658 C TRP A 166 6.223 -6.957 -0.377 1.00 0.00 C ATOM 659 O TRP A 166 6.740 -7.897 -0.982 1.00 0.00 O ATOM 660 CB TRP A 166 4.422 -5.398 -1.119 1.00 0.00 C ATOM 661 CG TRP A 166 4.663 -5.430 -2.599 1.00 0.00 C ATOM 662 CD1 TRP A 166 5.561 -4.675 -3.297 1.00 0.00 C ATOM 663 CD2 TRP A 166 3.999 -6.256 -3.561 1.00 0.00 C ATOM 664 NE1 TRP A 166 5.495 -4.980 -4.634 1.00 0.00 N ATOM 665 CE2 TRP A 166 4.544 -5.947 -4.822 1.00 0.00 C ATOM 666 CE3 TRP A 166 2.996 -7.227 -3.481 1.00 0.00 C ATOM 667 CZ2 TRP A 166 4.121 -6.574 -5.991 1.00 0.00 C ATOM 668 CZ3 TRP A 166 2.576 -7.849 -4.643 1.00 0.00 C ATOM 669 CH2 TRP A 166 3.138 -7.520 -5.883 1.00 0.00 C ATOM 0 H TRP A 166 3.678 -5.859 1.177 1.00 0.00 H new ATOM 0 HA TRP A 166 4.255 -7.537 -0.985 1.00 0.00 H new ATOM 0 HB2 TRP A 166 3.383 -5.124 -0.934 1.00 0.00 H new ATOM 0 HB3 TRP A 166 5.041 -4.619 -0.675 1.00 0.00 H new ATOM 0 HD1 TRP A 166 6.226 -3.944 -2.861 1.00 0.00 H new ATOM 0 HE1 TRP A 166 6.062 -4.555 -5.368 1.00 0.00 H new ATOM 0 HE3 TRP A 166 2.557 -7.487 -2.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 4.553 -6.323 -6.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 1.802 -8.601 -4.593 1.00 0.00 H new ATOM 0 HH2 TRP A 166 2.788 -8.023 -6.772 1.00 0.00 H new ATOM 680 N LEU A 167 6.917 -6.089 0.347 1.00 0.00 N ATOM 681 CA LEU A 167 8.365 -6.187 0.484 1.00 0.00 C ATOM 682 C LEU A 167 8.757 -7.456 1.234 1.00 0.00 C ATOM 683 O LEU A 167 9.797 -8.054 0.962 1.00 0.00 O ATOM 684 CB LEU A 167 8.909 -4.959 1.217 1.00 0.00 C ATOM 685 CG LEU A 167 8.520 -3.615 0.597 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.895 -2.702 1.642 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.730 -2.948 -0.043 1.00 0.00 C ATOM 0 H LEU A 167 6.499 -5.306 0.850 1.00 0.00 H new ATOM 0 HA LEU A 167 8.799 -6.230 -0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.556 -4.983 2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.996 -5.026 1.251 1.00 0.00 H new ATOM 0 HG LEU A 167 7.780 -3.800 -0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.626 -1.752 1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 167 7.001 -3.174 2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.610 -2.525 2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.432 -1.994 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.495 -2.778 0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 167 10.130 -3.594 -0.825 1.00 0.00 H new ATOM 699 N ALA A 168 7.916 -7.860 2.181 1.00 0.00 N ATOM 700 CA ALA A 168 8.174 -9.057 2.970 1.00 0.00 C ATOM 701 C ALA A 168 7.380 -10.248 2.441 1.00 0.00 C ATOM 702 O ALA A 168 7.044 -11.164 3.191 1.00 0.00 O ATOM 703 CB ALA A 168 7.838 -8.806 4.433 1.00 0.00 C ATOM 0 H ALA A 168 7.051 -7.376 2.420 1.00 0.00 H new ATOM 0 HA ALA A 168 9.234 -9.295 2.886 1.00 0.00 H new ATOM 0 HB1 ALA A 168 8.035 -9.708 5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 168 8.453 -7.990 4.813 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.785 -8.540 4.524 1.00 0.00 H new