USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=5 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 Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 175:sc= -0.661 (180deg=-0.696) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ -123:sc=-0.00887 (180deg=-0.214) USER MOD Single : A 155 ASN : amide:sc= -0.372 X(o=-0.37,f=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 130 -5.241 3.161 -4.956 1.00 0.00 N ATOM 82 CA ILE A 130 -6.036 3.325 -3.749 1.00 0.00 C ATOM 83 C ILE A 130 -5.212 2.987 -2.513 1.00 0.00 C ATOM 84 O ILE A 130 -4.840 1.834 -2.294 1.00 0.00 O ATOM 85 CB ILE A 130 -7.301 2.446 -3.783 1.00 0.00 C ATOM 86 CG1 ILE A 130 -8.086 2.716 -5.064 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.170 2.708 -2.559 1.00 0.00 C ATOM 88 CD1 ILE A 130 -7.823 1.707 -6.161 1.00 0.00 C ATOM 0 HA ILE A 130 -6.344 4.370 -3.702 1.00 0.00 H new ATOM 0 HB ILE A 130 -7.001 1.398 -3.767 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.151 2.720 -4.833 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -7.836 3.712 -5.430 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.058 2.078 -2.602 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.605 2.478 -1.656 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.469 3.756 -2.543 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.415 1.963 -7.040 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -6.764 1.719 -6.420 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -8.100 0.712 -5.814 1.00 0.00 H new ATOM 100 N ALA A 131 -4.924 4.007 -1.714 1.00 0.00 N ATOM 101 CA ALA A 131 -4.136 3.831 -0.500 1.00 0.00 C ATOM 102 C ALA A 131 -4.245 5.054 0.405 1.00 0.00 C ATOM 103 O ALA A 131 -4.402 6.179 -0.071 1.00 0.00 O ATOM 104 CB ALA A 131 -2.682 3.561 -0.853 1.00 0.00 C ATOM 0 H ALA A 131 -5.225 4.966 -1.885 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.533 2.973 0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.104 3.431 0.062 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.616 2.655 -1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.283 4.403 -1.419 1.00 0.00 H new ATOM 110 N MET A 132 -4.156 4.828 1.711 1.00 0.00 N ATOM 111 CA MET A 132 -4.242 5.912 2.683 1.00 0.00 C ATOM 112 C MET A 132 -3.168 6.966 2.414 1.00 0.00 C ATOM 113 O MET A 132 -2.171 6.690 1.746 1.00 0.00 O ATOM 114 CB MET A 132 -4.091 5.362 4.104 1.00 0.00 C ATOM 115 CG MET A 132 -5.406 5.271 4.864 1.00 0.00 C ATOM 116 SD MET A 132 -5.317 4.150 6.273 1.00 0.00 S ATOM 117 CE MET A 132 -6.040 5.164 7.560 1.00 0.00 C ATOM 0 H MET A 132 -4.024 3.904 2.121 1.00 0.00 H new ATOM 0 HA MET A 132 -5.221 6.382 2.586 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.640 4.371 4.055 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.403 5.999 4.660 1.00 0.00 H new ATOM 0 HG2 MET A 132 -5.690 6.264 5.212 1.00 0.00 H new ATOM 0 HG3 MET A 132 -6.191 4.935 4.186 1.00 0.00 H new ATOM 0 HE1 MET A 132 -6.055 4.607 8.497 1.00 0.00 H new ATOM 0 HE2 MET A 132 -5.447 6.070 7.686 1.00 0.00 H new ATOM 0 HE3 MET A 132 -7.059 5.433 7.282 1.00 0.00 H new ATOM 127 N PRO A 133 -3.357 8.192 2.931 1.00 0.00 N ATOM 128 CA PRO A 133 -2.398 9.285 2.742 1.00 0.00 C ATOM 129 C PRO A 133 -1.027 8.957 3.323 1.00 0.00 C ATOM 130 O PRO A 133 -0.010 9.488 2.877 1.00 0.00 O ATOM 131 CB PRO A 133 -3.031 10.464 3.492 1.00 0.00 C ATOM 132 CG PRO A 133 -4.017 9.849 4.425 1.00 0.00 C ATOM 133 CD PRO A 133 -4.515 8.609 3.740 1.00 0.00 C ATOM 0 HA PRO A 133 -2.221 9.488 1.686 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.278 11.035 4.035 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -3.518 11.153 2.803 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -3.552 9.607 5.381 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -4.837 10.536 4.634 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.805 7.840 4.457 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.388 8.813 3.120 1.00 0.00 H new ATOM 141 N SER A 134 -1.007 8.078 4.320 1.00 0.00 N ATOM 142 CA SER A 134 0.240 7.679 4.962 1.00 0.00 C ATOM 143 C SER A 134 0.837 6.452 4.279 1.00 0.00 C ATOM 144 O SER A 134 2.054 6.266 4.268 1.00 0.00 O ATOM 145 CB SER A 134 0.004 7.387 6.444 1.00 0.00 C ATOM 146 OG SER A 134 -0.793 6.228 6.615 1.00 0.00 O ATOM 0 H SER A 134 -1.840 7.629 4.701 1.00 0.00 H new ATOM 0 HA SER A 134 0.947 8.504 4.869 1.00 0.00 H new ATOM 0 HB2 SER A 134 0.961 7.252 6.948 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.485 8.241 6.913 1.00 0.00 H new ATOM 0 HG SER A 134 -0.928 6.062 7.571 1.00 0.00 H new ATOM 152 N VAL A 135 -0.026 5.615 3.713 1.00 0.00 N ATOM 153 CA VAL A 135 0.420 4.405 3.033 1.00 0.00 C ATOM 154 C VAL A 135 1.137 4.731 1.737 1.00 0.00 C ATOM 155 O VAL A 135 2.214 4.206 1.466 1.00 0.00 O ATOM 156 CB VAL A 135 -0.753 3.463 2.726 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.259 2.192 2.050 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.509 3.142 4.000 1.00 0.00 C ATOM 0 H VAL A 135 -1.037 5.752 3.712 1.00 0.00 H new ATOM 0 HA VAL A 135 1.110 3.906 3.713 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.434 3.963 2.038 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -1.106 1.538 1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.241 2.448 1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.442 1.679 2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.339 2.473 3.772 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.838 2.658 4.709 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.895 4.063 4.436 1.00 0.00 H new ATOM 168 N ARG A 136 0.539 5.600 0.938 1.00 0.00 N ATOM 169 CA ARG A 136 1.139 5.988 -0.328 1.00 0.00 C ATOM 170 C ARG A 136 2.554 6.496 -0.090 1.00 0.00 C ATOM 171 O ARG A 136 3.438 6.329 -0.927 1.00 0.00 O ATOM 172 CB ARG A 136 0.301 7.072 -1.010 1.00 0.00 C ATOM 173 CG ARG A 136 -1.068 6.591 -1.461 1.00 0.00 C ATOM 174 CD ARG A 136 -1.732 7.591 -2.395 1.00 0.00 C ATOM 175 NE ARG A 136 -3.135 7.813 -2.052 1.00 0.00 N ATOM 176 CZ ARG A 136 -3.840 8.867 -2.456 1.00 0.00 C ATOM 177 NH1 ARG A 136 -3.277 9.798 -3.217 1.00 0.00 N ATOM 178 NH2 ARG A 136 -5.110 8.992 -2.099 1.00 0.00 N ATOM 0 H ARG A 136 -0.355 6.047 1.141 1.00 0.00 H new ATOM 0 HA ARG A 136 1.173 5.117 -0.982 1.00 0.00 H new ATOM 0 HB2 ARG A 136 0.174 7.908 -0.322 1.00 0.00 H new ATOM 0 HB3 ARG A 136 0.846 7.451 -1.874 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.969 5.630 -1.966 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.703 6.429 -0.590 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -1.194 8.538 -2.353 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.662 7.230 -3.421 1.00 0.00 H new ATOM 0 HE ARG A 136 -3.602 7.119 -1.468 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -2.300 9.707 -3.495 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -3.822 10.604 -3.524 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -5.548 8.280 -1.514 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -5.650 9.800 -2.409 1.00 0.00 H new ATOM 192 N LYS A 137 2.760 7.097 1.078 1.00 0.00 N ATOM 193 CA LYS A 137 4.064 7.612 1.459 1.00 0.00 C ATOM 194 C LYS A 137 4.968 6.474 1.907 1.00 0.00 C ATOM 195 O LYS A 137 6.165 6.464 1.622 1.00 0.00 O ATOM 196 CB LYS A 137 3.925 8.643 2.580 1.00 0.00 C ATOM 197 CG LYS A 137 5.237 9.318 2.951 1.00 0.00 C ATOM 198 CD LYS A 137 5.523 10.514 2.054 1.00 0.00 C ATOM 199 CE LYS A 137 6.874 10.387 1.367 1.00 0.00 C ATOM 200 NZ LYS A 137 6.737 9.958 -0.053 1.00 0.00 N ATOM 0 H LYS A 137 2.033 7.238 1.779 1.00 0.00 H new ATOM 0 HA LYS A 137 4.511 8.098 0.591 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.207 9.405 2.275 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.515 8.154 3.464 1.00 0.00 H new ATOM 0 HG2 LYS A 137 5.199 9.643 3.991 1.00 0.00 H new ATOM 0 HG3 LYS A 137 6.052 8.599 2.871 1.00 0.00 H new ATOM 0 HD2 LYS A 137 4.739 10.602 1.302 1.00 0.00 H new ATOM 0 HD3 LYS A 137 5.500 11.428 2.647 1.00 0.00 H new ATOM 0 HE2 LYS A 137 7.394 11.344 1.409 1.00 0.00 H new ATOM 0 HE3 LYS A 137 7.489 9.667 1.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 7.671 9.965 -0.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 6.341 8.997 -0.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 6.102 10.612 -0.554 1.00 0.00 H new ATOM 214 N TYR A 138 4.381 5.518 2.623 1.00 0.00 N ATOM 215 CA TYR A 138 5.133 4.380 3.124 1.00 0.00 C ATOM 216 C TYR A 138 5.617 3.497 1.980 1.00 0.00 C ATOM 217 O TYR A 138 6.793 3.146 1.915 1.00 0.00 O ATOM 218 CB TYR A 138 4.265 3.564 4.073 1.00 0.00 C ATOM 219 CG TYR A 138 4.952 2.316 4.568 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.117 2.394 5.319 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.448 1.061 4.266 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.759 1.254 5.757 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.083 -0.082 4.697 1.00 0.00 C ATOM 224 CZ TYR A 138 6.238 0.017 5.444 1.00 0.00 C ATOM 225 OH TYR A 138 6.874 -1.124 5.876 1.00 0.00 O ATOM 0 H TYR A 138 3.390 5.512 2.866 1.00 0.00 H new ATOM 0 HA TYR A 138 6.005 4.756 3.659 1.00 0.00 H new ATOM 0 HB2 TYR A 138 3.987 4.183 4.926 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.341 3.287 3.565 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.527 3.362 5.564 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.543 0.978 3.683 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.664 1.330 6.341 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.678 -1.053 4.451 1.00 0.00 H new ATOM 0 HH TYR A 138 6.376 -1.911 5.571 1.00 0.00 H new ATOM 235 N ALA A 139 4.718 3.169 1.059 1.00 0.00 N ATOM 236 CA ALA A 139 5.083 2.364 -0.093 1.00 0.00 C ATOM 237 C ALA A 139 6.037 3.161 -0.957 1.00 0.00 C ATOM 238 O ALA A 139 7.074 2.667 -1.388 1.00 0.00 O ATOM 239 CB ALA A 139 3.850 1.961 -0.890 1.00 0.00 C ATOM 0 H ALA A 139 3.737 3.448 1.090 1.00 0.00 H new ATOM 0 HA ALA A 139 5.567 1.448 0.245 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.152 1.359 -1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.181 1.380 -0.256 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.334 2.855 -1.239 1.00 0.00 H new ATOM 245 N ARG A 140 5.685 4.420 -1.177 1.00 0.00 N ATOM 246 CA ARG A 140 6.513 5.319 -1.965 1.00 0.00 C ATOM 247 C ARG A 140 7.929 5.367 -1.393 1.00 0.00 C ATOM 248 O ARG A 140 8.902 5.539 -2.127 1.00 0.00 O ATOM 249 CB ARG A 140 5.900 6.721 -1.977 1.00 0.00 C ATOM 250 CG ARG A 140 6.738 7.754 -2.715 1.00 0.00 C ATOM 251 CD ARG A 140 6.205 8.003 -4.117 1.00 0.00 C ATOM 252 NE ARG A 140 7.192 7.674 -5.144 1.00 0.00 N ATOM 253 CZ ARG A 140 6.889 7.461 -6.423 1.00 0.00 C ATOM 254 NH1 ARG A 140 5.630 7.542 -6.836 1.00 0.00 N ATOM 255 NH2 ARG A 140 7.847 7.166 -7.291 1.00 0.00 N ATOM 0 H ARG A 140 4.828 4.842 -0.819 1.00 0.00 H new ATOM 0 HA ARG A 140 6.562 4.948 -2.989 1.00 0.00 H new ATOM 0 HB2 ARG A 140 4.913 6.672 -2.438 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.755 7.052 -0.949 1.00 0.00 H new ATOM 0 HG2 ARG A 140 6.742 8.689 -2.155 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.771 7.412 -2.773 1.00 0.00 H new ATOM 0 HD2 ARG A 140 5.306 7.407 -4.274 1.00 0.00 H new ATOM 0 HD3 ARG A 140 5.915 9.049 -4.214 1.00 0.00 H new ATOM 0 HE ARG A 140 8.170 7.603 -4.864 1.00 0.00 H new ATOM 0 HH11 ARG A 140 4.889 7.768 -6.172 1.00 0.00 H new ATOM 0 HH12 ARG A 140 5.403 7.378 -7.817 1.00 0.00 H new ATOM 0 HH21 ARG A 140 8.816 7.102 -6.979 1.00 0.00 H new ATOM 0 HH22 ARG A 140 7.615 7.003 -8.271 1.00 0.00 H new ATOM 269 N GLU A 141 8.032 5.208 -0.075 1.00 0.00 N ATOM 270 CA GLU A 141 9.319 5.226 0.605 1.00 0.00 C ATOM 271 C GLU A 141 9.975 3.855 0.560 1.00 0.00 C ATOM 272 O GLU A 141 11.194 3.739 0.425 1.00 0.00 O ATOM 273 CB GLU A 141 9.138 5.667 2.056 1.00 0.00 C ATOM 274 CG GLU A 141 8.955 7.165 2.218 1.00 0.00 C ATOM 275 CD GLU A 141 10.260 7.927 2.107 1.00 0.00 C ATOM 276 OE1 GLU A 141 11.071 7.858 3.055 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.472 8.595 1.073 1.00 0.00 O ATOM 0 H GLU A 141 7.233 5.065 0.543 1.00 0.00 H new ATOM 0 HA GLU A 141 9.967 5.936 0.091 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.272 5.156 2.477 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.006 5.351 2.634 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.262 7.527 1.459 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.501 7.369 3.188 1.00 0.00 H new ATOM 284 N LYS A 142 9.156 2.818 0.685 1.00 0.00 N ATOM 285 CA LYS A 142 9.642 1.447 0.674 1.00 0.00 C ATOM 286 C LYS A 142 9.813 0.918 -0.751 1.00 0.00 C ATOM 287 O LYS A 142 9.749 -0.289 -0.980 1.00 0.00 O ATOM 288 CB LYS A 142 8.661 0.558 1.442 1.00 0.00 C ATOM 289 CG LYS A 142 8.589 0.846 2.939 1.00 0.00 C ATOM 290 CD LYS A 142 9.945 1.209 3.524 1.00 0.00 C ATOM 291 CE LYS A 142 9.836 1.575 4.995 1.00 0.00 C ATOM 292 NZ LYS A 142 11.150 1.973 5.569 1.00 0.00 N ATOM 0 H LYS A 142 8.146 2.903 0.796 1.00 0.00 H new ATOM 0 HA LYS A 142 10.621 1.429 1.153 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.667 0.680 1.013 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.945 -0.484 1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.889 1.663 3.116 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.195 -0.029 3.456 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.630 0.369 3.407 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.369 2.046 2.970 1.00 0.00 H new ATOM 0 HE2 LYS A 142 9.126 2.393 5.113 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.439 0.726 5.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 11.031 2.215 6.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.821 1.184 5.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.517 2.799 5.055 1.00 0.00 H new ATOM 306 N GLY A 143 10.029 1.820 -1.708 1.00 0.00 N ATOM 307 CA GLY A 143 10.201 1.402 -3.091 1.00 0.00 C ATOM 308 C GLY A 143 9.054 0.539 -3.584 1.00 0.00 C ATOM 309 O GLY A 143 9.205 -0.225 -4.537 1.00 0.00 O ATOM 0 H GLY A 143 10.088 2.826 -1.552 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.287 2.284 -3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.135 0.848 -3.186 1.00 0.00 H new ATOM 313 N VAL A 144 7.907 0.664 -2.927 1.00 0.00 N ATOM 314 CA VAL A 144 6.721 -0.101 -3.283 1.00 0.00 C ATOM 315 C VAL A 144 5.641 0.805 -3.862 1.00 0.00 C ATOM 316 O VAL A 144 5.459 1.939 -3.417 1.00 0.00 O ATOM 317 CB VAL A 144 6.155 -0.845 -2.055 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.771 -1.414 -2.343 1.00 0.00 C ATOM 319 CG2 VAL A 144 7.108 -1.944 -1.617 1.00 0.00 C ATOM 0 H VAL A 144 7.774 1.295 -2.137 1.00 0.00 H new ATOM 0 HA VAL A 144 7.019 -0.830 -4.037 1.00 0.00 H new ATOM 0 HB VAL A 144 6.055 -0.127 -1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.399 -1.932 -1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 144 4.090 -0.603 -2.601 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.832 -2.115 -3.175 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.695 -2.460 -0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.242 -2.655 -2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 144 8.071 -1.507 -1.354 1.00 0.00 H new ATOM 329 N ASP A 145 4.919 0.289 -4.846 1.00 0.00 N ATOM 330 CA ASP A 145 3.845 1.035 -5.480 1.00 0.00 C ATOM 331 C ASP A 145 2.513 0.340 -5.230 1.00 0.00 C ATOM 332 O ASP A 145 2.386 -0.867 -5.433 1.00 0.00 O ATOM 333 CB ASP A 145 4.098 1.169 -6.984 1.00 0.00 C ATOM 334 CG ASP A 145 3.087 2.071 -7.663 1.00 0.00 C ATOM 335 OD1 ASP A 145 2.016 2.316 -7.069 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.366 2.533 -8.790 1.00 0.00 O ATOM 0 H ASP A 145 5.060 -0.648 -5.223 1.00 0.00 H new ATOM 0 HA ASP A 145 3.811 2.035 -5.047 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.101 1.565 -7.147 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.066 0.181 -7.444 1.00 0.00 H new ATOM 341 N ILE A 146 1.525 1.105 -4.789 1.00 0.00 N ATOM 342 CA ILE A 146 0.203 0.554 -4.512 1.00 0.00 C ATOM 343 C ILE A 146 -0.328 -0.232 -5.710 1.00 0.00 C ATOM 344 O ILE A 146 -1.188 -1.100 -5.563 1.00 0.00 O ATOM 345 CB ILE A 146 -0.804 1.665 -4.148 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.234 2.570 -3.050 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.128 1.061 -3.702 1.00 0.00 C ATOM 348 CD1 ILE A 146 -0.020 1.863 -1.729 1.00 0.00 C ATOM 0 H ILE A 146 1.611 2.106 -4.615 1.00 0.00 H new ATOM 0 HA ILE A 146 0.311 -0.119 -3.661 1.00 0.00 H new ATOM 0 HB ILE A 146 -0.982 2.270 -5.037 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.716 2.983 -3.389 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -0.911 3.411 -2.897 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.826 1.860 -3.449 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.543 0.458 -4.510 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -1.965 0.432 -2.827 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.385 2.566 -1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.971 1.473 -1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.681 1.039 -1.866 1.00 0.00 H new ATOM 360 N ARG A 147 0.200 0.067 -6.896 1.00 0.00 N ATOM 361 CA ARG A 147 -0.223 -0.621 -8.110 1.00 0.00 C ATOM 362 C ARG A 147 0.136 -2.100 -8.036 1.00 0.00 C ATOM 363 O ARG A 147 -0.589 -2.954 -8.548 1.00 0.00 O ATOM 364 CB ARG A 147 0.431 0.016 -9.337 1.00 0.00 C ATOM 365 CG ARG A 147 0.026 1.465 -9.559 1.00 0.00 C ATOM 366 CD ARG A 147 -1.072 1.583 -10.603 1.00 0.00 C ATOM 367 NE ARG A 147 -0.659 1.042 -11.895 1.00 0.00 N ATOM 368 CZ ARG A 147 0.226 1.630 -12.696 1.00 0.00 C ATOM 369 NH1 ARG A 147 0.793 2.777 -12.341 1.00 0.00 N ATOM 370 NH2 ARG A 147 0.547 1.071 -13.854 1.00 0.00 N ATOM 0 H ARG A 147 0.918 0.778 -7.040 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.305 -0.528 -8.200 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.514 -0.037 -9.230 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.169 -0.565 -10.221 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -0.317 1.896 -8.618 1.00 0.00 H new ATOM 0 HG3 ARG A 147 0.895 2.042 -9.876 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -1.960 1.055 -10.256 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -1.349 2.631 -10.721 1.00 0.00 H new ATOM 0 HE ARG A 147 -1.073 0.162 -12.201 1.00 0.00 H new ATOM 0 HH11 ARG A 147 0.551 3.212 -11.451 1.00 0.00 H new ATOM 0 HH12 ARG A 147 1.471 3.224 -12.959 1.00 0.00 H new ATOM 0 HH21 ARG A 147 0.116 0.189 -14.132 1.00 0.00 H new ATOM 0 HH22 ARG A 147 1.225 1.522 -14.467 1.00 0.00 H new ATOM 384 N LEU A 148 1.257 -2.391 -7.389 1.00 0.00 N ATOM 385 CA LEU A 148 1.721 -3.760 -7.233 1.00 0.00 C ATOM 386 C LEU A 148 1.110 -4.409 -5.993 1.00 0.00 C ATOM 387 O LEU A 148 1.331 -5.590 -5.728 1.00 0.00 O ATOM 388 CB LEU A 148 3.248 -3.793 -7.138 1.00 0.00 C ATOM 389 CG LEU A 148 3.968 -2.589 -7.747 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.464 -2.687 -7.510 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.665 -2.485 -9.234 1.00 0.00 C ATOM 0 H LEU A 148 1.864 -1.691 -6.962 1.00 0.00 H new ATOM 0 HA LEU A 148 1.403 -4.325 -8.109 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.528 -3.870 -6.087 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.607 -4.697 -7.630 1.00 0.00 H new ATOM 0 HG LEU A 148 3.604 -1.685 -7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 148 5.960 -1.822 -7.950 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.662 -2.712 -6.438 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.847 -3.598 -7.971 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.185 -1.623 -9.652 1.00 0.00 H new ATOM 0 HD22 LEU A 148 4.001 -3.391 -9.738 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.591 -2.366 -9.379 1.00 0.00 H new ATOM 403 N VAL A 149 0.346 -3.629 -5.229 1.00 0.00 N ATOM 404 CA VAL A 149 -0.284 -4.131 -4.016 1.00 0.00 C ATOM 405 C VAL A 149 -1.798 -4.208 -4.173 1.00 0.00 C ATOM 406 O VAL A 149 -2.404 -3.388 -4.862 1.00 0.00 O ATOM 407 CB VAL A 149 0.049 -3.242 -2.802 1.00 0.00 C ATOM 408 CG1 VAL A 149 -0.353 -3.931 -1.509 1.00 0.00 C ATOM 409 CG2 VAL A 149 1.527 -2.884 -2.787 1.00 0.00 C ATOM 0 H VAL A 149 0.151 -2.649 -5.431 1.00 0.00 H new ATOM 0 HA VAL A 149 0.112 -5.132 -3.846 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.522 -2.318 -2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -0.110 -3.288 -0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -1.425 -4.127 -1.519 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.187 -4.873 -1.415 1.00 0.00 H new ATOM 0 HG21 VAL A 149 1.741 -2.256 -1.922 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.122 -3.796 -2.729 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.780 -2.343 -3.699 1.00 0.00 H new ATOM 419 N GLN A 150 -2.405 -5.199 -3.527 1.00 0.00 N ATOM 420 CA GLN A 150 -3.849 -5.384 -3.592 1.00 0.00 C ATOM 421 C GLN A 150 -4.512 -4.921 -2.299 1.00 0.00 C ATOM 422 O GLN A 150 -4.587 -5.671 -1.326 1.00 0.00 O ATOM 423 CB GLN A 150 -4.185 -6.853 -3.857 1.00 0.00 C ATOM 424 CG GLN A 150 -5.305 -7.048 -4.866 1.00 0.00 C ATOM 425 CD GLN A 150 -5.560 -8.511 -5.176 1.00 0.00 C ATOM 426 OE1 GLN A 150 -4.651 -9.339 -5.112 1.00 0.00 O ATOM 427 NE2 GLN A 150 -6.802 -8.836 -5.517 1.00 0.00 N ATOM 0 H GLN A 150 -1.918 -5.886 -2.952 1.00 0.00 H new ATOM 0 HA GLN A 150 -4.233 -4.779 -4.413 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -3.291 -7.363 -4.216 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.467 -7.328 -2.917 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -6.219 -6.597 -4.481 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -5.055 -6.523 -5.788 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -7.524 -8.117 -5.557 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -7.033 -9.804 -5.739 1.00 0.00 H new ATOM 436 N GLY A 151 -4.988 -3.680 -2.294 1.00 0.00 N ATOM 437 CA GLY A 151 -5.635 -3.140 -1.114 1.00 0.00 C ATOM 438 C GLY A 151 -6.836 -3.955 -0.681 1.00 0.00 C ATOM 439 O GLY A 151 -7.720 -4.246 -1.486 1.00 0.00 O ATOM 0 H GLY A 151 -4.937 -3.039 -3.086 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.915 -3.099 -0.297 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.949 -2.116 -1.314 1.00 0.00 H new ATOM 443 N THR A 152 -6.866 -4.327 0.595 1.00 0.00 N ATOM 444 CA THR A 152 -7.968 -5.112 1.139 1.00 0.00 C ATOM 445 C THR A 152 -8.696 -4.347 2.242 1.00 0.00 C ATOM 446 O THR A 152 -9.298 -4.948 3.132 1.00 0.00 O ATOM 447 CB THR A 152 -7.449 -6.446 1.684 1.00 0.00 C ATOM 448 OG1 THR A 152 -6.068 -6.360 1.986 1.00 0.00 O ATOM 449 CG2 THR A 152 -7.637 -7.599 0.722 1.00 0.00 C ATOM 0 H THR A 152 -6.139 -4.097 1.272 1.00 0.00 H new ATOM 0 HA THR A 152 -8.675 -5.305 0.332 1.00 0.00 H new ATOM 0 HB THR A 152 -8.038 -6.641 2.580 1.00 0.00 H new ATOM 0 HG1 THR A 152 -5.755 -7.221 2.334 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.248 -8.514 1.170 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.698 -7.723 0.506 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.100 -7.392 -0.204 1.00 0.00 H new ATOM 457 N GLY A 153 -8.633 -3.019 2.184 1.00 0.00 N ATOM 458 CA GLY A 153 -9.287 -2.203 3.192 1.00 0.00 C ATOM 459 C GLY A 153 -10.437 -1.384 2.637 1.00 0.00 C ATOM 460 O GLY A 153 -10.374 -0.897 1.511 1.00 0.00 O ATOM 0 H GLY A 153 -8.142 -2.495 1.459 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.659 -2.848 3.988 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.554 -1.533 3.640 1.00 0.00 H new ATOM 464 N LYS A 154 -11.486 -1.229 3.438 1.00 0.00 N ATOM 465 CA LYS A 154 -12.660 -0.459 3.037 1.00 0.00 C ATOM 466 C LYS A 154 -13.162 -0.876 1.650 1.00 0.00 C ATOM 467 O LYS A 154 -13.979 -1.789 1.532 1.00 0.00 O ATOM 468 CB LYS A 154 -12.345 1.039 3.074 1.00 0.00 C ATOM 469 CG LYS A 154 -13.498 1.913 2.612 1.00 0.00 C ATOM 470 CD LYS A 154 -13.928 2.894 3.691 1.00 0.00 C ATOM 471 CE LYS A 154 -13.005 4.100 3.751 1.00 0.00 C ATOM 472 NZ LYS A 154 -11.988 3.970 4.831 1.00 0.00 N ATOM 0 H LYS A 154 -11.548 -1.629 4.374 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.460 -0.669 3.747 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -12.072 1.320 4.091 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -11.476 1.235 2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -13.203 2.462 1.718 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -14.343 1.283 2.335 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -14.948 3.225 3.497 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -13.935 2.392 4.658 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -12.502 4.220 2.792 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -13.596 5.001 3.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -12.062 4.782 5.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -12.154 3.090 5.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -11.037 3.947 4.411 1.00 0.00 H new ATOM 486 N ASN A 155 -12.680 -0.204 0.605 1.00 0.00 N ATOM 487 CA ASN A 155 -13.095 -0.514 -0.759 1.00 0.00 C ATOM 488 C ASN A 155 -11.935 -1.069 -1.579 1.00 0.00 C ATOM 489 O ASN A 155 -11.881 -0.888 -2.796 1.00 0.00 O ATOM 490 CB ASN A 155 -13.660 0.735 -1.438 1.00 0.00 C ATOM 491 CG ASN A 155 -14.990 1.162 -0.848 1.00 0.00 C ATOM 492 OD1 ASN A 155 -16.004 0.485 -1.018 1.00 0.00 O ATOM 493 ND2 ASN A 155 -14.993 2.292 -0.150 1.00 0.00 N ATOM 0 H ASN A 155 -12.004 0.556 0.678 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.871 -1.278 -0.705 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -12.945 1.552 -1.343 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -13.784 0.542 -2.504 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -15.859 2.630 0.270 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -14.129 2.822 -0.034 1.00 0.00 H new ATOM 500 N GLY A 156 -11.009 -1.745 -0.909 1.00 0.00 N ATOM 501 CA GLY A 156 -9.866 -2.315 -1.597 1.00 0.00 C ATOM 502 C GLY A 156 -8.646 -1.415 -1.548 1.00 0.00 C ATOM 503 O GLY A 156 -7.784 -1.474 -2.425 1.00 0.00 O ATOM 0 H GLY A 156 -11.029 -1.908 0.098 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.620 -3.278 -1.149 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.131 -2.505 -2.637 1.00 0.00 H new ATOM 507 N ARG A 157 -8.576 -0.576 -0.520 1.00 0.00 N ATOM 508 CA ARG A 157 -7.460 0.347 -0.352 1.00 0.00 C ATOM 509 C ARG A 157 -6.272 -0.349 0.307 1.00 0.00 C ATOM 510 O ARG A 157 -6.447 -1.235 1.145 1.00 0.00 O ATOM 511 CB ARG A 157 -7.901 1.548 0.488 1.00 0.00 C ATOM 512 CG ARG A 157 -6.800 2.565 0.729 1.00 0.00 C ATOM 513 CD ARG A 157 -7.306 3.750 1.536 1.00 0.00 C ATOM 514 NE ARG A 157 -8.014 4.718 0.702 1.00 0.00 N ATOM 515 CZ ARG A 157 -8.654 5.783 1.181 1.00 0.00 C ATOM 516 NH1 ARG A 157 -8.675 6.021 2.487 1.00 0.00 N ATOM 517 NH2 ARG A 157 -9.273 6.612 0.352 1.00 0.00 N ATOM 0 H ARG A 157 -9.283 -0.517 0.213 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.147 0.693 -1.337 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.736 2.041 -0.010 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.270 1.191 1.450 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -5.973 2.090 1.257 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.409 2.914 -0.227 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -7.971 3.395 2.323 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.465 4.240 2.026 1.00 0.00 H new ATOM 0 HE ARG A 157 -8.018 4.569 -0.307 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -8.199 5.387 3.129 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -9.167 6.838 2.849 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -9.259 6.434 -0.652 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -9.763 7.428 0.718 1.00 0.00 H new ATOM 531 N VAL A 158 -5.064 0.051 -0.081 1.00 0.00 N ATOM 532 CA VAL A 158 -3.850 -0.542 0.470 1.00 0.00 C ATOM 533 C VAL A 158 -3.528 0.033 1.843 1.00 0.00 C ATOM 534 O VAL A 158 -3.566 1.245 2.053 1.00 0.00 O ATOM 535 CB VAL A 158 -2.638 -0.334 -0.470 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.325 -0.657 0.234 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.782 -1.184 -1.718 1.00 0.00 C ATOM 0 H VAL A 158 -4.900 0.782 -0.773 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.039 -1.611 0.567 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.619 0.718 -0.756 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.495 -0.500 -0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.206 -0.005 1.100 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.334 -1.697 0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.921 -1.025 -2.368 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.836 -2.236 -1.438 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.693 -0.902 -2.247 1.00 0.00 H new ATOM 547 N LEU A 159 -3.191 -0.856 2.768 1.00 0.00 N ATOM 548 CA LEU A 159 -2.835 -0.462 4.122 1.00 0.00 C ATOM 549 C LEU A 159 -1.333 -0.601 4.326 1.00 0.00 C ATOM 550 O LEU A 159 -0.664 -1.298 3.564 1.00 0.00 O ATOM 551 CB LEU A 159 -3.582 -1.333 5.135 1.00 0.00 C ATOM 552 CG LEU A 159 -5.101 -1.130 5.189 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.666 -1.682 6.488 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.458 0.343 5.035 1.00 0.00 C ATOM 0 H LEU A 159 -3.157 -1.862 2.602 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.119 0.579 4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.381 -2.379 4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.172 -1.139 6.126 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.546 -1.676 4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.745 -1.529 6.509 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.449 -2.748 6.555 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.210 -1.165 7.332 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.541 0.461 5.077 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -4.999 0.915 5.842 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.090 0.708 4.076 1.00 0.00 H new ATOM 566 N LYS A 160 -0.798 0.048 5.352 1.00 0.00 N ATOM 567 CA LYS A 160 0.632 -0.043 5.622 1.00 0.00 C ATOM 568 C LYS A 160 1.035 -1.505 5.771 1.00 0.00 C ATOM 569 O LYS A 160 2.145 -1.896 5.412 1.00 0.00 O ATOM 570 CB LYS A 160 1.003 0.741 6.881 1.00 0.00 C ATOM 571 CG LYS A 160 2.504 0.902 7.072 1.00 0.00 C ATOM 572 CD LYS A 160 2.911 0.661 8.517 1.00 0.00 C ATOM 573 CE LYS A 160 3.415 -0.759 8.727 1.00 0.00 C ATOM 574 NZ LYS A 160 2.725 -1.430 9.864 1.00 0.00 N ATOM 0 H LYS A 160 -1.322 0.634 6.002 1.00 0.00 H new ATOM 0 HA LYS A 160 1.172 0.395 4.783 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.542 1.728 6.835 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.586 0.235 7.751 1.00 0.00 H new ATOM 0 HG2 LYS A 160 3.031 0.203 6.423 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.805 1.906 6.771 1.00 0.00 H new ATOM 0 HD2 LYS A 160 3.690 1.370 8.799 1.00 0.00 H new ATOM 0 HD3 LYS A 160 2.059 0.846 9.171 1.00 0.00 H new ATOM 0 HE2 LYS A 160 3.261 -1.338 7.816 1.00 0.00 H new ATOM 0 HE3 LYS A 160 4.489 -0.739 8.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 3.096 -2.395 9.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 2.893 -0.892 10.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 1.703 -1.472 9.674 1.00 0.00 H new ATOM 588 N GLU A 161 0.108 -2.312 6.281 1.00 0.00 N ATOM 589 CA GLU A 161 0.350 -3.736 6.450 1.00 0.00 C ATOM 590 C GLU A 161 0.516 -4.381 5.078 1.00 0.00 C ATOM 591 O GLU A 161 1.352 -5.264 4.888 1.00 0.00 O ATOM 592 CB GLU A 161 -0.805 -4.381 7.235 1.00 0.00 C ATOM 593 CG GLU A 161 -1.401 -5.623 6.584 1.00 0.00 C ATOM 594 CD GLU A 161 -2.296 -6.403 7.527 1.00 0.00 C ATOM 595 OE1 GLU A 161 -1.778 -7.294 8.235 1.00 0.00 O ATOM 596 OE2 GLU A 161 -3.512 -6.124 7.559 1.00 0.00 O ATOM 0 H GLU A 161 -0.815 -2.001 6.583 1.00 0.00 H new ATOM 0 HA GLU A 161 1.265 -3.891 7.022 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -0.447 -4.645 8.230 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -1.595 -3.641 7.366 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -1.975 -5.328 5.705 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -0.595 -6.269 6.237 1.00 0.00 H new ATOM 603 N ASP A 162 -0.276 -3.907 4.118 1.00 0.00 N ATOM 604 CA ASP A 162 -0.209 -4.411 2.751 1.00 0.00 C ATOM 605 C ASP A 162 1.169 -4.132 2.167 1.00 0.00 C ATOM 606 O ASP A 162 1.829 -5.024 1.632 1.00 0.00 O ATOM 607 CB ASP A 162 -1.286 -3.751 1.891 1.00 0.00 C ATOM 608 CG ASP A 162 -2.604 -4.495 1.932 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.604 -5.721 1.697 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.640 -3.849 2.200 1.00 0.00 O ATOM 0 H ASP A 162 -0.971 -3.175 4.263 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.382 -5.487 2.761 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.441 -2.727 2.232 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -0.937 -3.694 0.860 1.00 0.00 H new ATOM 615 N ILE A 163 1.599 -2.881 2.294 1.00 0.00 N ATOM 616 CA ILE A 163 2.906 -2.455 1.803 1.00 0.00 C ATOM 617 C ILE A 163 4.004 -3.360 2.345 1.00 0.00 C ATOM 618 O ILE A 163 4.786 -3.933 1.586 1.00 0.00 O ATOM 619 CB ILE A 163 3.225 -1.007 2.233 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.064 -0.073 1.901 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.512 -0.523 1.572 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.705 -0.073 0.440 1.00 0.00 C ATOM 0 H ILE A 163 1.057 -2.139 2.736 1.00 0.00 H new ATOM 0 HA ILE A 163 2.870 -2.513 0.715 1.00 0.00 H new ATOM 0 HB ILE A 163 3.369 -0.997 3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.191 -0.367 2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.323 0.941 2.205 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.721 0.499 1.887 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.338 -1.169 1.868 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.398 -0.553 0.488 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.873 0.611 0.270 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.566 0.250 -0.146 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.416 -1.079 0.136 1.00 0.00 H new ATOM 634 N ASP A 164 4.052 -3.486 3.668 1.00 0.00 N ATOM 635 CA ASP A 164 5.048 -4.323 4.323 1.00 0.00 C ATOM 636 C ASP A 164 4.982 -5.752 3.794 1.00 0.00 C ATOM 637 O ASP A 164 6.005 -6.420 3.649 1.00 0.00 O ATOM 638 CB ASP A 164 4.838 -4.316 5.838 1.00 0.00 C ATOM 639 CG ASP A 164 5.913 -5.092 6.574 1.00 0.00 C ATOM 640 OD1 ASP A 164 7.098 -4.714 6.465 1.00 0.00 O ATOM 641 OD2 ASP A 164 5.569 -6.078 7.260 1.00 0.00 O ATOM 0 H ASP A 164 3.410 -3.017 4.308 1.00 0.00 H new ATOM 0 HA ASP A 164 6.034 -3.915 4.102 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.827 -3.286 6.196 1.00 0.00 H new ATOM 0 HB3 ASP A 164 3.862 -4.744 6.069 1.00 0.00 H new ATOM 646 N ALA A 165 3.769 -6.211 3.500 1.00 0.00 N ATOM 647 CA ALA A 165 3.568 -7.557 2.979 1.00 0.00 C ATOM 648 C ALA A 165 4.236 -7.708 1.618 1.00 0.00 C ATOM 649 O ALA A 165 4.811 -8.751 1.309 1.00 0.00 O ATOM 650 CB ALA A 165 2.083 -7.871 2.881 1.00 0.00 C ATOM 0 H ALA A 165 2.912 -5.670 3.614 1.00 0.00 H new ATOM 0 HA ALA A 165 4.027 -8.266 3.668 1.00 0.00 H new ATOM 0 HB1 ALA A 165 1.949 -8.880 2.490 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.631 -7.802 3.870 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.603 -7.156 2.212 1.00 0.00 H new ATOM 656 N TRP A 166 4.160 -6.654 0.812 1.00 0.00 N ATOM 657 CA TRP A 166 4.764 -6.661 -0.515 1.00 0.00 C ATOM 658 C TRP A 166 6.266 -6.898 -0.418 1.00 0.00 C ATOM 659 O TRP A 166 6.800 -7.837 -1.009 1.00 0.00 O ATOM 660 CB TRP A 166 4.495 -5.331 -1.221 1.00 0.00 C ATOM 661 CG TRP A 166 4.755 -5.373 -2.696 1.00 0.00 C ATOM 662 CD1 TRP A 166 5.657 -4.618 -3.389 1.00 0.00 C ATOM 663 CD2 TRP A 166 4.106 -6.210 -3.660 1.00 0.00 C ATOM 664 NE1 TRP A 166 5.609 -4.934 -4.724 1.00 0.00 N ATOM 665 CE2 TRP A 166 4.666 -5.908 -4.916 1.00 0.00 C ATOM 666 CE3 TRP A 166 3.108 -7.186 -3.583 1.00 0.00 C ATOM 667 CZ2 TRP A 166 4.259 -6.548 -6.084 1.00 0.00 C ATOM 668 CZ3 TRP A 166 2.705 -7.819 -4.744 1.00 0.00 C ATOM 669 CH2 TRP A 166 3.281 -7.498 -5.980 1.00 0.00 C ATOM 0 H TRP A 166 3.686 -5.784 1.055 1.00 0.00 H new ATOM 0 HA TRP A 166 4.318 -7.471 -1.092 1.00 0.00 H new ATOM 0 HB2 TRP A 166 3.458 -5.042 -1.051 1.00 0.00 H new ATOM 0 HB3 TRP A 166 5.119 -4.558 -0.772 1.00 0.00 H new ATOM 0 HD1 TRP A 166 6.313 -3.880 -2.951 1.00 0.00 H new ATOM 0 HE1 TRP A 166 6.183 -4.512 -5.454 1.00 0.00 H new ATOM 0 HE3 TRP A 166 2.660 -7.441 -2.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 4.700 -6.303 -7.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 1.933 -8.573 -4.697 1.00 0.00 H new ATOM 0 HH2 TRP A 166 2.946 -8.011 -6.869 1.00 0.00 H new ATOM 680 N LEU A 167 6.939 -6.037 0.336 1.00 0.00 N ATOM 681 CA LEU A 167 8.381 -6.140 0.524 1.00 0.00 C ATOM 682 C LEU A 167 8.746 -7.421 1.266 1.00 0.00 C ATOM 683 O LEU A 167 9.814 -7.993 1.049 1.00 0.00 O ATOM 684 CB LEU A 167 8.897 -4.923 1.294 1.00 0.00 C ATOM 685 CG LEU A 167 8.528 -3.573 0.678 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.869 -2.671 1.712 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.758 -2.900 0.086 1.00 0.00 C ATOM 0 H LEU A 167 6.507 -5.256 0.829 1.00 0.00 H new ATOM 0 HA LEU A 167 8.852 -6.170 -0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.507 -4.962 2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.983 -4.989 1.366 1.00 0.00 H new ATOM 0 HG LEU A 167 7.813 -3.749 -0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.615 -1.716 1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 167 6.962 -3.147 2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.558 -2.503 2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.475 -1.941 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.498 -2.740 0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 167 10.184 -3.537 -0.689 1.00 0.00 H new ATOM 699 N ALA A 168 7.853 -7.864 2.142 1.00 0.00 N ATOM 700 CA ALA A 168 8.081 -9.078 2.918 1.00 0.00 C ATOM 701 C ALA A 168 8.039 -10.316 2.028 1.00 0.00 C ATOM 702 O ALA A 168 8.634 -11.344 2.351 1.00 0.00 O ATOM 703 CB ALA A 168 7.051 -9.191 4.032 1.00 0.00 C ATOM 0 H ALA A 168 6.964 -7.402 2.333 1.00 0.00 H new ATOM 0 HA ALA A 168 9.075 -9.016 3.361 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.232 -10.101 4.604 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.131 -8.326 4.691 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.051 -9.226 3.600 1.00 0.00 H new