USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=3 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 TYR OH : rot 150:sc= 0.14 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc=-0.00641 X(o=-0.0064,f=-0.29) 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 -5.201 2.890 -4.949 1.00 0.00 N ATOM 82 CA ILE A 130 -6.052 3.001 -3.774 1.00 0.00 C ATOM 83 C ILE A 130 -5.265 2.694 -2.509 1.00 0.00 C ATOM 84 O ILE A 130 -4.851 1.558 -2.279 1.00 0.00 O ATOM 85 CB ILE A 130 -7.265 2.057 -3.860 1.00 0.00 C ATOM 86 CG1 ILE A 130 -7.983 2.260 -5.186 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.220 2.304 -2.701 1.00 0.00 C ATOM 88 CD1 ILE A 130 -7.458 1.385 -6.304 1.00 0.00 C ATOM 0 HA ILE A 130 -6.414 4.028 -3.737 1.00 0.00 H new ATOM 0 HB ILE A 130 -6.912 1.027 -3.799 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.045 2.059 -5.048 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -7.892 3.305 -5.482 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.071 1.627 -2.780 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.702 2.127 -1.759 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.573 3.335 -2.733 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.018 1.586 -7.217 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -6.403 1.602 -6.471 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -7.574 0.336 -6.030 1.00 0.00 H new ATOM 100 N ALA A 131 -5.064 3.718 -1.693 1.00 0.00 N ATOM 101 CA ALA A 131 -4.325 3.567 -0.445 1.00 0.00 C ATOM 102 C ALA A 131 -4.470 4.802 0.438 1.00 0.00 C ATOM 103 O ALA A 131 -4.781 5.890 -0.044 1.00 0.00 O ATOM 104 CB ALA A 131 -2.856 3.292 -0.733 1.00 0.00 C ATOM 0 H ALA A 131 -5.402 4.664 -1.871 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.746 2.719 0.095 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.315 3.181 0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.765 2.374 -1.314 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.434 4.123 -1.298 1.00 0.00 H new ATOM 110 N MET A 132 -4.241 4.621 1.735 1.00 0.00 N ATOM 111 CA MET A 132 -4.344 5.716 2.692 1.00 0.00 C ATOM 112 C MET A 132 -3.293 6.787 2.407 1.00 0.00 C ATOM 113 O MET A 132 -2.245 6.503 1.830 1.00 0.00 O ATOM 114 CB MET A 132 -4.180 5.184 4.118 1.00 0.00 C ATOM 115 CG MET A 132 -5.496 5.028 4.863 1.00 0.00 C ATOM 116 SD MET A 132 -5.691 6.226 6.197 1.00 0.00 S ATOM 117 CE MET A 132 -4.622 5.519 7.449 1.00 0.00 C ATOM 0 H MET A 132 -3.982 3.725 2.147 1.00 0.00 H new ATOM 0 HA MET A 132 -5.330 6.169 2.591 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.676 4.218 4.081 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.533 5.860 4.677 1.00 0.00 H new ATOM 0 HG2 MET A 132 -6.321 5.137 4.160 1.00 0.00 H new ATOM 0 HG3 MET A 132 -5.558 4.020 5.274 1.00 0.00 H new ATOM 0 HE1 MET A 132 -4.637 6.149 8.338 1.00 0.00 H new ATOM 0 HE2 MET A 132 -4.974 4.520 7.706 1.00 0.00 H new ATOM 0 HE3 MET A 132 -3.604 5.457 7.065 1.00 0.00 H new ATOM 127 N PRO A 133 -3.563 8.041 2.812 1.00 0.00 N ATOM 128 CA PRO A 133 -2.637 9.158 2.598 1.00 0.00 C ATOM 129 C PRO A 133 -1.251 8.881 3.173 1.00 0.00 C ATOM 130 O PRO A 133 -0.252 9.416 2.693 1.00 0.00 O ATOM 131 CB PRO A 133 -3.298 10.323 3.343 1.00 0.00 C ATOM 132 CG PRO A 133 -4.742 9.964 3.404 1.00 0.00 C ATOM 133 CD PRO A 133 -4.792 8.466 3.508 1.00 0.00 C ATOM 0 HA PRO A 133 -2.475 9.350 1.537 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.878 10.444 4.341 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -3.146 11.266 2.817 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -5.224 10.431 4.263 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -5.268 10.311 2.515 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.803 8.134 4.546 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.685 8.059 3.034 1.00 0.00 H new ATOM 141 N SER A 134 -1.199 8.046 4.205 1.00 0.00 N ATOM 142 CA SER A 134 0.065 7.701 4.847 1.00 0.00 C ATOM 143 C SER A 134 0.695 6.475 4.194 1.00 0.00 C ATOM 144 O SER A 134 1.919 6.351 4.137 1.00 0.00 O ATOM 145 CB SER A 134 -0.153 7.443 6.339 1.00 0.00 C ATOM 146 OG SER A 134 0.059 8.621 7.098 1.00 0.00 O ATOM 0 H SER A 134 -2.017 7.595 4.615 1.00 0.00 H new ATOM 0 HA SER A 134 0.746 8.543 4.724 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.167 7.078 6.504 1.00 0.00 H new ATOM 0 HB3 SER A 134 0.526 6.661 6.679 1.00 0.00 H new ATOM 0 HG SER A 134 -0.088 8.429 8.048 1.00 0.00 H new ATOM 152 N VAL A 135 -0.147 5.570 3.706 1.00 0.00 N ATOM 153 CA VAL A 135 0.332 4.355 3.061 1.00 0.00 C ATOM 154 C VAL A 135 1.074 4.668 1.774 1.00 0.00 C ATOM 155 O VAL A 135 2.171 4.162 1.541 1.00 0.00 O ATOM 156 CB VAL A 135 -0.823 3.389 2.750 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.315 2.162 2.002 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.529 2.992 4.033 1.00 0.00 C ATOM 0 H VAL A 135 -1.163 5.656 3.745 1.00 0.00 H new ATOM 0 HA VAL A 135 1.016 3.878 3.763 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.540 3.897 2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -1.149 1.492 1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.146 2.472 1.064 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.422 1.642 2.614 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.345 2.308 3.802 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.821 2.501 4.701 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.928 3.882 4.519 1.00 0.00 H new ATOM 168 N ARG A 136 0.475 5.504 0.941 1.00 0.00 N ATOM 169 CA ARG A 136 1.094 5.880 -0.322 1.00 0.00 C ATOM 170 C ARG A 136 2.491 6.430 -0.067 1.00 0.00 C ATOM 171 O ARG A 136 3.383 6.306 -0.904 1.00 0.00 O ATOM 172 CB ARG A 136 0.242 6.924 -1.046 1.00 0.00 C ATOM 173 CG ARG A 136 -1.128 6.413 -1.460 1.00 0.00 C ATOM 174 CD ARG A 136 -1.915 7.475 -2.211 1.00 0.00 C ATOM 175 NE ARG A 136 -3.323 7.493 -1.820 1.00 0.00 N ATOM 176 CZ ARG A 136 -4.142 8.519 -2.041 1.00 0.00 C ATOM 177 NH1 ARG A 136 -3.697 9.612 -2.651 1.00 0.00 N ATOM 178 NH2 ARG A 136 -5.408 8.453 -1.653 1.00 0.00 N ATOM 0 H ARG A 136 -0.434 5.933 1.114 1.00 0.00 H new ATOM 0 HA ARG A 136 1.167 4.995 -0.955 1.00 0.00 H new ATOM 0 HB2 ARG A 136 0.116 7.791 -0.397 1.00 0.00 H new ATOM 0 HB3 ARG A 136 0.776 7.265 -1.933 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -1.013 5.530 -2.089 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.685 6.104 -0.575 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -1.474 8.454 -2.022 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.839 7.292 -3.283 1.00 0.00 H new ATOM 0 HE ARG A 136 -3.701 6.670 -1.350 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -2.724 9.668 -2.952 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -4.328 10.396 -2.818 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -5.755 7.616 -1.185 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -6.035 9.239 -1.823 1.00 0.00 H new ATOM 192 N LYS A 137 2.674 7.018 1.112 1.00 0.00 N ATOM 193 CA LYS A 137 3.958 7.567 1.506 1.00 0.00 C ATOM 194 C LYS A 137 4.891 6.446 1.938 1.00 0.00 C ATOM 195 O LYS A 137 6.086 6.464 1.642 1.00 0.00 O ATOM 196 CB LYS A 137 3.782 8.576 2.643 1.00 0.00 C ATOM 197 CG LYS A 137 5.089 9.181 3.130 1.00 0.00 C ATOM 198 CD LYS A 137 5.177 9.175 4.648 1.00 0.00 C ATOM 199 CE LYS A 137 5.884 10.415 5.170 1.00 0.00 C ATOM 200 NZ LYS A 137 7.365 10.290 5.077 1.00 0.00 N ATOM 0 H LYS A 137 1.940 7.124 1.812 1.00 0.00 H new ATOM 0 HA LYS A 137 4.395 8.083 0.651 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.124 9.377 2.307 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.285 8.085 3.480 1.00 0.00 H new ATOM 0 HG2 LYS A 137 5.927 8.621 2.714 1.00 0.00 H new ATOM 0 HG3 LYS A 137 5.176 10.204 2.764 1.00 0.00 H new ATOM 0 HD2 LYS A 137 4.174 9.121 5.071 1.00 0.00 H new ATOM 0 HD3 LYS A 137 5.711 8.284 4.979 1.00 0.00 H new ATOM 0 HE2 LYS A 137 5.557 11.286 4.602 1.00 0.00 H new ATOM 0 HE3 LYS A 137 5.598 10.586 6.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 7.810 11.156 5.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 7.681 9.474 5.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 7.640 10.152 4.084 1.00 0.00 H new ATOM 214 N TYR A 138 4.331 5.475 2.653 1.00 0.00 N ATOM 215 CA TYR A 138 5.107 4.346 3.140 1.00 0.00 C ATOM 216 C TYR A 138 5.593 3.478 1.987 1.00 0.00 C ATOM 217 O TYR A 138 6.772 3.141 1.913 1.00 0.00 O ATOM 218 CB TYR A 138 4.264 3.510 4.094 1.00 0.00 C ATOM 219 CG TYR A 138 4.978 2.271 4.574 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.151 2.362 5.309 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.488 1.010 4.271 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.814 1.228 5.734 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.144 -0.126 4.690 1.00 0.00 C ATOM 224 CZ TYR A 138 6.307 -0.015 5.422 1.00 0.00 C ATOM 225 OH TYR A 138 6.964 -1.148 5.841 1.00 0.00 O ATOM 0 H TYR A 138 3.343 5.450 2.906 1.00 0.00 H new ATOM 0 HA TYR A 138 5.978 4.734 3.668 1.00 0.00 H new ATOM 0 HB2 TYR A 138 3.985 4.119 4.954 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.339 3.220 3.595 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.552 3.335 5.553 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.578 0.917 3.697 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.725 1.315 6.308 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.749 -1.101 4.446 1.00 0.00 H new ATOM 0 HH TYR A 138 6.315 -1.869 5.983 1.00 0.00 H new ATOM 235 N ALA A 139 4.689 3.142 1.073 1.00 0.00 N ATOM 236 CA ALA A 139 5.055 2.345 -0.086 1.00 0.00 C ATOM 237 C ALA A 139 5.994 3.154 -0.958 1.00 0.00 C ATOM 238 O ALA A 139 7.037 2.674 -1.392 1.00 0.00 O ATOM 239 CB ALA A 139 3.822 1.934 -0.877 1.00 0.00 C ATOM 0 H ALA A 139 3.705 3.408 1.114 1.00 0.00 H new ATOM 0 HA ALA A 139 5.552 1.434 0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.124 1.339 -1.739 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.162 1.343 -0.241 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.295 2.825 -1.218 1.00 0.00 H new ATOM 245 N ARG A 140 5.622 4.407 -1.181 1.00 0.00 N ATOM 246 CA ARG A 140 6.435 5.316 -1.977 1.00 0.00 C ATOM 247 C ARG A 140 7.851 5.386 -1.409 1.00 0.00 C ATOM 248 O ARG A 140 8.821 5.564 -2.145 1.00 0.00 O ATOM 249 CB ARG A 140 5.796 6.709 -1.995 1.00 0.00 C ATOM 250 CG ARG A 140 6.655 7.775 -2.658 1.00 0.00 C ATOM 251 CD ARG A 140 6.643 7.638 -4.172 1.00 0.00 C ATOM 252 NE ARG A 140 6.682 8.938 -4.840 1.00 0.00 N ATOM 253 CZ ARG A 140 5.639 9.762 -4.918 1.00 0.00 C ATOM 254 NH1 ARG A 140 4.476 9.426 -4.373 1.00 0.00 N ATOM 255 NH2 ARG A 140 5.761 10.925 -5.543 1.00 0.00 N ATOM 0 H ARG A 140 4.761 4.818 -0.821 1.00 0.00 H new ATOM 0 HA ARG A 140 6.489 4.943 -3.000 1.00 0.00 H new ATOM 0 HB2 ARG A 140 4.840 6.652 -2.515 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.584 7.013 -0.970 1.00 0.00 H new ATOM 0 HG2 ARG A 140 6.291 8.763 -2.378 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.679 7.698 -2.293 1.00 0.00 H new ATOM 0 HD2 ARG A 140 7.499 7.042 -4.489 1.00 0.00 H new ATOM 0 HD3 ARG A 140 5.747 7.099 -4.480 1.00 0.00 H new ATOM 0 HE ARG A 140 7.559 9.231 -5.271 1.00 0.00 H new ATOM 0 HH11 ARG A 140 4.378 8.532 -3.891 1.00 0.00 H new ATOM 0 HH12 ARG A 140 3.681 10.062 -4.436 1.00 0.00 H new ATOM 0 HH21 ARG A 140 6.653 11.187 -5.963 1.00 0.00 H new ATOM 0 HH22 ARG A 140 4.963 11.557 -5.604 1.00 0.00 H new ATOM 269 N GLU A 141 7.953 5.237 -0.091 1.00 0.00 N ATOM 270 CA GLU A 141 9.238 5.274 0.593 1.00 0.00 C ATOM 271 C GLU A 141 9.916 3.910 0.559 1.00 0.00 C ATOM 272 O GLU A 141 11.139 3.815 0.454 1.00 0.00 O ATOM 273 CB GLU A 141 9.042 5.713 2.042 1.00 0.00 C ATOM 274 CG GLU A 141 8.837 7.208 2.206 1.00 0.00 C ATOM 275 CD GLU A 141 10.144 7.966 2.334 1.00 0.00 C ATOM 276 OE1 GLU A 141 10.690 8.021 3.456 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.621 8.503 1.313 1.00 0.00 O ATOM 0 H GLU A 141 7.154 5.089 0.526 1.00 0.00 H new ATOM 0 HA GLU A 141 9.878 5.990 0.076 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.181 5.190 2.457 1.00 0.00 H new ATOM 0 HB3 GLU A 141 9.911 5.409 2.625 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.282 7.591 1.350 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.226 7.392 3.090 1.00 0.00 H new ATOM 284 N LYS A 142 9.111 2.861 0.667 1.00 0.00 N ATOM 285 CA LYS A 142 9.620 1.495 0.670 1.00 0.00 C ATOM 286 C LYS A 142 9.840 0.973 -0.750 1.00 0.00 C ATOM 287 O LYS A 142 9.869 -0.238 -0.971 1.00 0.00 O ATOM 288 CB LYS A 142 8.629 0.582 1.400 1.00 0.00 C ATOM 289 CG LYS A 142 8.587 0.730 2.922 1.00 0.00 C ATOM 290 CD LYS A 142 9.510 1.819 3.451 1.00 0.00 C ATOM 291 CE LYS A 142 10.921 1.300 3.667 1.00 0.00 C ATOM 292 NZ LYS A 142 11.926 2.398 3.665 1.00 0.00 N ATOM 0 H LYS A 142 8.097 2.931 0.754 1.00 0.00 H new ATOM 0 HA LYS A 142 10.582 1.495 1.183 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.630 0.773 1.007 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.873 -0.453 1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.565 0.950 3.230 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.860 -0.221 3.379 1.00 0.00 H new ATOM 0 HD2 LYS A 142 9.532 2.652 2.748 1.00 0.00 H new ATOM 0 HD3 LYS A 142 9.116 2.206 4.391 1.00 0.00 H new ATOM 0 HE2 LYS A 142 10.969 0.766 4.616 1.00 0.00 H new ATOM 0 HE3 LYS A 142 11.167 0.582 2.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 12.875 2.000 3.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.899 2.892 2.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.707 3.070 4.428 1.00 0.00 H new ATOM 306 N GLY A 143 9.986 1.881 -1.715 1.00 0.00 N ATOM 307 CA GLY A 143 10.188 1.465 -3.092 1.00 0.00 C ATOM 308 C GLY A 143 9.048 0.601 -3.602 1.00 0.00 C ATOM 309 O GLY A 143 9.199 -0.130 -4.581 1.00 0.00 O ATOM 0 H GLY A 143 9.968 2.890 -1.568 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.285 2.346 -3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.124 0.912 -3.169 1.00 0.00 H new ATOM 313 N VAL A 144 7.905 0.688 -2.929 1.00 0.00 N ATOM 314 CA VAL A 144 6.725 -0.082 -3.294 1.00 0.00 C ATOM 315 C VAL A 144 5.636 0.825 -3.858 1.00 0.00 C ATOM 316 O VAL A 144 5.443 1.948 -3.393 1.00 0.00 O ATOM 317 CB VAL A 144 6.168 -0.848 -2.076 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.788 -1.424 -2.368 1.00 0.00 C ATOM 319 CG2 VAL A 144 7.131 -1.946 -1.656 1.00 0.00 C ATOM 0 H VAL A 144 7.773 1.293 -2.118 1.00 0.00 H new ATOM 0 HA VAL A 144 7.026 -0.798 -4.059 1.00 0.00 H new ATOM 0 HB VAL A 144 6.064 -0.142 -1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.423 -1.958 -1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 144 4.100 -0.615 -2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.852 -2.113 -3.211 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.724 -2.477 -0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.269 -2.644 -2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 144 8.091 -1.505 -1.389 1.00 0.00 H new ATOM 329 N ASP A 145 4.921 0.319 -4.853 1.00 0.00 N ATOM 330 CA ASP A 145 3.841 1.063 -5.479 1.00 0.00 C ATOM 331 C ASP A 145 2.515 0.352 -5.248 1.00 0.00 C ATOM 332 O ASP A 145 2.397 -0.849 -5.483 1.00 0.00 O ATOM 333 CB ASP A 145 4.101 1.224 -6.978 1.00 0.00 C ATOM 334 CG ASP A 145 3.100 2.147 -7.644 1.00 0.00 C ATOM 335 OD1 ASP A 145 1.979 2.292 -7.112 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.438 2.728 -8.697 1.00 0.00 O ATOM 0 H ASP A 145 5.072 -0.610 -5.245 1.00 0.00 H new ATOM 0 HA ASP A 145 3.793 2.054 -5.028 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.107 1.615 -7.129 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.063 0.246 -7.457 1.00 0.00 H new ATOM 341 N ILE A 146 1.519 1.098 -4.786 1.00 0.00 N ATOM 342 CA ILE A 146 0.202 0.531 -4.525 1.00 0.00 C ATOM 343 C ILE A 146 -0.324 -0.225 -5.744 1.00 0.00 C ATOM 344 O ILE A 146 -1.189 -1.093 -5.621 1.00 0.00 O ATOM 345 CB ILE A 146 -0.815 1.621 -4.132 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.266 2.483 -2.992 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.144 0.994 -3.731 1.00 0.00 C ATOM 348 CD1 ILE A 146 -0.049 1.716 -1.706 1.00 0.00 C ATOM 0 H ILE A 146 1.598 2.095 -4.585 1.00 0.00 H new ATOM 0 HA ILE A 146 0.318 -0.163 -3.692 1.00 0.00 H new ATOM 0 HB ILE A 146 -0.983 2.260 -4.999 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.679 2.926 -3.305 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -0.957 3.305 -2.803 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.849 1.779 -3.457 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.544 0.423 -4.569 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -1.991 0.330 -2.880 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.341 2.389 -0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.996 1.295 -1.369 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.665 0.911 -1.879 1.00 0.00 H new ATOM 360 N ARG A 147 0.209 0.099 -6.921 1.00 0.00 N ATOM 361 CA ARG A 147 -0.208 -0.561 -8.153 1.00 0.00 C ATOM 362 C ARG A 147 0.140 -2.043 -8.101 1.00 0.00 C ATOM 363 O ARG A 147 -0.586 -2.884 -8.628 1.00 0.00 O ATOM 364 CB ARG A 147 0.462 0.092 -9.362 1.00 0.00 C ATOM 365 CG ARG A 147 0.098 1.557 -9.541 1.00 0.00 C ATOM 366 CD ARG A 147 -0.908 1.749 -10.664 1.00 0.00 C ATOM 367 NE ARG A 147 -0.256 1.999 -11.947 1.00 0.00 N ATOM 368 CZ ARG A 147 -0.902 2.384 -13.045 1.00 0.00 C ATOM 369 NH1 ARG A 147 -2.217 2.565 -13.021 1.00 0.00 N ATOM 370 NH2 ARG A 147 -0.231 2.589 -14.170 1.00 0.00 N ATOM 0 H ARG A 147 0.928 0.812 -7.046 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.288 -0.455 -8.253 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.544 0.005 -9.259 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.183 -0.456 -10.262 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -0.315 1.946 -8.611 1.00 0.00 H new ATOM 0 HG3 ARG A 147 0.998 2.133 -9.755 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -1.536 0.862 -10.744 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -1.565 2.584 -10.423 1.00 0.00 H new ATOM 0 HE ARG A 147 0.754 1.871 -12.005 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -2.738 2.409 -12.158 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -2.707 2.860 -13.866 1.00 0.00 H new ATOM 0 HH21 ARG A 147 0.779 2.452 -14.193 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -0.725 2.884 -15.012 1.00 0.00 H new ATOM 384 N LEU A 148 1.256 -2.348 -7.452 1.00 0.00 N ATOM 385 CA LEU A 148 1.714 -3.721 -7.312 1.00 0.00 C ATOM 386 C LEU A 148 1.117 -4.369 -6.064 1.00 0.00 C ATOM 387 O LEU A 148 1.333 -5.553 -5.806 1.00 0.00 O ATOM 388 CB LEU A 148 3.241 -3.766 -7.238 1.00 0.00 C ATOM 389 CG LEU A 148 3.960 -2.546 -7.813 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.458 -2.660 -7.599 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.639 -2.385 -9.291 1.00 0.00 C ATOM 0 H LEU A 148 1.863 -1.657 -7.012 1.00 0.00 H new ATOM 0 HA LEU A 148 1.381 -4.279 -8.187 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.534 -3.881 -6.195 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.588 -4.654 -7.767 1.00 0.00 H new ATOM 0 HG LEU A 148 3.607 -1.659 -7.288 1.00 0.00 H new ATOM 0 HD11 LEU A 148 5.953 -1.782 -8.015 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.669 -2.724 -6.532 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.829 -3.556 -8.097 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.160 -1.511 -9.683 1.00 0.00 H new ATOM 0 HD22 LEU A 148 3.963 -3.274 -9.833 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.564 -2.254 -9.418 1.00 0.00 H new ATOM 403 N VAL A 149 0.375 -3.583 -5.286 1.00 0.00 N ATOM 404 CA VAL A 149 -0.239 -4.080 -4.062 1.00 0.00 C ATOM 405 C VAL A 149 -1.758 -4.027 -4.142 1.00 0.00 C ATOM 406 O VAL A 149 -2.334 -3.063 -4.647 1.00 0.00 O ATOM 407 CB VAL A 149 0.220 -3.266 -2.836 1.00 0.00 C ATOM 408 CG1 VAL A 149 -0.094 -4.014 -1.550 1.00 0.00 C ATOM 409 CG2 VAL A 149 1.705 -2.943 -2.926 1.00 0.00 C ATOM 0 H VAL A 149 0.186 -2.600 -5.484 1.00 0.00 H new ATOM 0 HA VAL A 149 0.081 -5.116 -3.950 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.329 -2.324 -2.826 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.237 -3.424 -0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -1.169 -4.182 -1.480 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.424 -4.973 -1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 149 2.006 -2.368 -2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.277 -3.870 -2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.896 -2.359 -3.826 1.00 0.00 H new ATOM 419 N GLN A 150 -2.401 -5.068 -3.630 1.00 0.00 N ATOM 420 CA GLN A 150 -3.854 -5.144 -3.629 1.00 0.00 C ATOM 421 C GLN A 150 -4.401 -4.821 -2.243 1.00 0.00 C ATOM 422 O GLN A 150 -4.430 -5.676 -1.358 1.00 0.00 O ATOM 423 CB GLN A 150 -4.308 -6.527 -4.079 1.00 0.00 C ATOM 424 CG GLN A 150 -3.904 -7.611 -3.114 1.00 0.00 C ATOM 425 CD GLN A 150 -3.485 -8.894 -3.808 1.00 0.00 C ATOM 426 OE1 GLN A 150 -4.015 -9.244 -4.861 1.00 0.00 O ATOM 427 NE2 GLN A 150 -2.529 -9.601 -3.217 1.00 0.00 N ATOM 0 H GLN A 150 -1.937 -5.873 -3.209 1.00 0.00 H new ATOM 0 HA GLN A 150 -4.245 -4.407 -4.331 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -5.392 -6.531 -4.191 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -3.885 -6.743 -5.060 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -3.080 -7.252 -2.497 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -4.737 -7.822 -2.443 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -2.117 -9.272 -2.344 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -2.206 -10.473 -3.636 1.00 0.00 H new ATOM 436 N GLY A 151 -4.816 -3.574 -2.052 1.00 0.00 N ATOM 437 CA GLY A 151 -5.335 -3.157 -0.769 1.00 0.00 C ATOM 438 C GLY A 151 -6.699 -3.734 -0.463 1.00 0.00 C ATOM 439 O GLY A 151 -7.536 -3.875 -1.353 1.00 0.00 O ATOM 0 H GLY A 151 -4.801 -2.845 -2.766 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.637 -3.456 0.013 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.394 -2.069 -0.744 1.00 0.00 H new ATOM 443 N THR A 152 -6.921 -4.065 0.805 1.00 0.00 N ATOM 444 CA THR A 152 -8.194 -4.624 1.243 1.00 0.00 C ATOM 445 C THR A 152 -8.860 -3.706 2.267 1.00 0.00 C ATOM 446 O THR A 152 -9.642 -4.159 3.102 1.00 0.00 O ATOM 447 CB THR A 152 -7.983 -6.014 1.846 1.00 0.00 C ATOM 448 OG1 THR A 152 -6.648 -6.171 2.290 1.00 0.00 O ATOM 449 CG2 THR A 152 -8.279 -7.138 0.876 1.00 0.00 C ATOM 0 H THR A 152 -6.233 -3.955 1.549 1.00 0.00 H new ATOM 0 HA THR A 152 -8.848 -4.710 0.375 1.00 0.00 H new ATOM 0 HB THR A 152 -8.685 -6.078 2.677 1.00 0.00 H new ATOM 0 HG1 THR A 152 -6.534 -7.065 2.674 1.00 0.00 H new ATOM 0 HG21 THR A 152 -8.109 -8.096 1.367 1.00 0.00 H new ATOM 0 HG22 THR A 152 -9.318 -7.075 0.552 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.623 -7.053 0.010 1.00 0.00 H new ATOM 457 N GLY A 153 -8.538 -2.417 2.201 1.00 0.00 N ATOM 458 CA GLY A 153 -9.107 -1.461 3.135 1.00 0.00 C ATOM 459 C GLY A 153 -10.374 -0.809 2.616 1.00 0.00 C ATOM 460 O GLY A 153 -10.340 -0.054 1.645 1.00 0.00 O ATOM 0 H GLY A 153 -7.894 -2.018 1.518 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.324 -1.966 4.076 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.369 -0.688 3.350 1.00 0.00 H new ATOM 464 N LYS A 154 -11.492 -1.098 3.274 1.00 0.00 N ATOM 465 CA LYS A 154 -12.783 -0.533 2.890 1.00 0.00 C ATOM 466 C LYS A 154 -13.123 -0.858 1.434 1.00 0.00 C ATOM 467 O LYS A 154 -13.819 -1.835 1.155 1.00 0.00 O ATOM 468 CB LYS A 154 -12.786 0.983 3.109 1.00 0.00 C ATOM 469 CG LYS A 154 -13.346 1.401 4.459 1.00 0.00 C ATOM 470 CD LYS A 154 -14.718 2.040 4.321 1.00 0.00 C ATOM 471 CE LYS A 154 -14.614 3.543 4.110 1.00 0.00 C ATOM 472 NZ LYS A 154 -15.787 4.266 4.673 1.00 0.00 N ATOM 0 H LYS A 154 -11.531 -1.723 4.079 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.547 -0.985 3.522 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -11.766 1.357 3.016 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -13.372 1.455 2.320 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -13.413 0.530 5.111 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -12.663 2.104 4.935 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -15.248 1.589 3.482 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -15.307 1.837 5.216 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -13.701 3.913 4.577 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -14.535 3.755 3.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -15.677 5.287 4.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -16.656 3.932 4.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -15.849 4.085 5.695 1.00 0.00 H new ATOM 486 N ASN A 155 -12.635 -0.034 0.509 1.00 0.00 N ATOM 487 CA ASN A 155 -12.897 -0.239 -0.912 1.00 0.00 C ATOM 488 C ASN A 155 -11.662 -0.777 -1.626 1.00 0.00 C ATOM 489 O ASN A 155 -11.389 -0.418 -2.771 1.00 0.00 O ATOM 490 CB ASN A 155 -13.346 1.072 -1.562 1.00 0.00 C ATOM 491 CG ASN A 155 -14.523 1.701 -0.844 1.00 0.00 C ATOM 492 OD1 ASN A 155 -15.613 1.131 -0.796 1.00 0.00 O ATOM 493 ND2 ASN A 155 -14.309 2.886 -0.281 1.00 0.00 N ATOM 0 H ASN A 155 -12.057 0.780 0.718 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.694 -0.977 -1.004 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -12.512 1.774 -1.571 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -13.616 0.885 -2.601 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -15.064 3.359 0.215 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -13.389 3.322 -0.345 1.00 0.00 H new ATOM 500 N GLY A 156 -10.920 -1.641 -0.944 1.00 0.00 N ATOM 501 CA GLY A 156 -9.724 -2.216 -1.530 1.00 0.00 C ATOM 502 C GLY A 156 -8.512 -1.314 -1.384 1.00 0.00 C ATOM 503 O GLY A 156 -7.581 -1.378 -2.186 1.00 0.00 O ATOM 0 H GLY A 156 -11.125 -1.954 0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.517 -3.176 -1.057 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -9.900 -2.413 -2.587 1.00 0.00 H new ATOM 507 N ARG A 157 -8.528 -0.470 -0.359 1.00 0.00 N ATOM 508 CA ARG A 157 -7.429 0.455 -0.104 1.00 0.00 C ATOM 509 C ARG A 157 -6.235 -0.270 0.504 1.00 0.00 C ATOM 510 O ARG A 157 -6.393 -1.109 1.391 1.00 0.00 O ATOM 511 CB ARG A 157 -7.895 1.570 0.837 1.00 0.00 C ATOM 512 CG ARG A 157 -7.313 2.935 0.513 1.00 0.00 C ATOM 513 CD ARG A 157 -8.406 3.954 0.227 1.00 0.00 C ATOM 514 NE ARG A 157 -8.020 4.893 -0.823 1.00 0.00 N ATOM 515 CZ ARG A 157 -8.889 5.573 -1.568 1.00 0.00 C ATOM 516 NH1 ARG A 157 -10.195 5.431 -1.376 1.00 0.00 N ATOM 517 NH2 ARG A 157 -8.450 6.398 -2.509 1.00 0.00 N ATOM 0 H ARG A 157 -9.294 -0.407 0.312 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.119 0.888 -1.055 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.983 1.632 0.800 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.626 1.305 1.859 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -6.703 3.279 1.348 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.654 2.855 -0.351 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -9.317 3.434 -0.069 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -8.635 4.505 1.139 1.00 0.00 H new ATOM 0 HE ARG A 157 -7.025 5.036 -0.996 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -10.538 4.798 -0.654 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -10.855 5.955 -1.951 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -7.448 6.511 -2.661 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -9.115 6.920 -3.081 1.00 0.00 H new ATOM 531 N VAL A 158 -5.038 0.055 0.022 1.00 0.00 N ATOM 532 CA VAL A 158 -3.823 -0.573 0.525 1.00 0.00 C ATOM 533 C VAL A 158 -3.472 -0.052 1.912 1.00 0.00 C ATOM 534 O VAL A 158 -3.461 1.155 2.154 1.00 0.00 O ATOM 535 CB VAL A 158 -2.624 -0.355 -0.426 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.306 -0.681 0.264 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.778 -1.201 -1.677 1.00 0.00 C ATOM 0 H VAL A 158 -4.885 0.746 -0.712 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.025 -1.643 0.583 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.611 0.698 -0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.482 -0.518 -0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.181 -0.036 1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.311 -1.723 0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.925 -1.035 -2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.824 -2.254 -1.401 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.696 -0.922 -2.194 1.00 0.00 H new ATOM 547 N LEU A 159 -3.178 -0.977 2.813 1.00 0.00 N ATOM 548 CA LEU A 159 -2.813 -0.633 4.177 1.00 0.00 C ATOM 549 C LEU A 159 -1.308 -0.756 4.365 1.00 0.00 C ATOM 550 O LEU A 159 -0.634 -1.425 3.583 1.00 0.00 O ATOM 551 CB LEU A 159 -3.538 -1.554 5.160 1.00 0.00 C ATOM 552 CG LEU A 159 -5.065 -1.415 5.188 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.633 -2.024 6.460 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.482 0.045 5.064 1.00 0.00 C ATOM 0 H LEU A 159 -3.186 -1.979 2.621 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.109 0.398 4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.289 -2.587 4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.154 -1.362 6.162 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.469 -1.957 4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.718 -1.916 6.462 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.374 -3.082 6.504 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.216 -1.511 7.327 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.569 0.116 5.087 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -5.064 0.615 5.894 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.111 0.451 4.123 1.00 0.00 H new ATOM 566 N LYS A 160 -0.774 -0.124 5.404 1.00 0.00 N ATOM 567 CA LYS A 160 0.656 -0.203 5.664 1.00 0.00 C ATOM 568 C LYS A 160 1.079 -1.662 5.774 1.00 0.00 C ATOM 569 O LYS A 160 2.192 -2.029 5.397 1.00 0.00 O ATOM 570 CB LYS A 160 1.026 0.554 6.940 1.00 0.00 C ATOM 571 CG LYS A 160 2.527 0.653 7.171 1.00 0.00 C ATOM 572 CD LYS A 160 2.975 2.098 7.327 1.00 0.00 C ATOM 573 CE LYS A 160 4.185 2.210 8.240 1.00 0.00 C ATOM 574 NZ LYS A 160 4.279 3.554 8.874 1.00 0.00 N ATOM 0 H LYS A 160 -1.301 0.440 6.070 1.00 0.00 H new ATOM 0 HA LYS A 160 1.184 0.264 4.833 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.606 1.559 6.892 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.566 0.057 7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 160 2.796 0.089 8.064 1.00 0.00 H new ATOM 0 HG3 LYS A 160 3.055 0.196 6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 160 3.217 2.513 6.348 1.00 0.00 H new ATOM 0 HD3 LYS A 160 2.156 2.692 7.732 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.127 1.446 9.015 1.00 0.00 H new ATOM 0 HE3 LYS A 160 5.091 2.014 7.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 5.117 3.590 9.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 4.360 4.281 8.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 3.426 3.731 9.441 1.00 0.00 H new ATOM 588 N GLU A 161 0.166 -2.494 6.268 1.00 0.00 N ATOM 589 CA GLU A 161 0.429 -3.918 6.397 1.00 0.00 C ATOM 590 C GLU A 161 0.597 -4.525 5.012 1.00 0.00 C ATOM 591 O GLU A 161 1.445 -5.390 4.796 1.00 0.00 O ATOM 592 CB GLU A 161 -0.713 -4.610 7.144 1.00 0.00 C ATOM 593 CG GLU A 161 -0.812 -4.212 8.606 1.00 0.00 C ATOM 594 CD GLU A 161 -0.057 -5.157 9.520 1.00 0.00 C ATOM 595 OE1 GLU A 161 1.160 -4.953 9.712 1.00 0.00 O ATOM 596 OE2 GLU A 161 -0.683 -6.102 10.046 1.00 0.00 O ATOM 0 H GLU A 161 -0.760 -2.204 6.584 1.00 0.00 H new ATOM 0 HA GLU A 161 1.345 -4.062 6.970 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.655 -4.376 6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.578 -5.690 7.078 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.421 -3.202 8.731 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -1.861 -4.187 8.902 1.00 0.00 H new ATOM 603 N ASP A 162 -0.208 -4.039 4.068 1.00 0.00 N ATOM 604 CA ASP A 162 -0.138 -4.508 2.690 1.00 0.00 C ATOM 605 C ASP A 162 1.238 -4.202 2.115 1.00 0.00 C ATOM 606 O ASP A 162 1.909 -5.077 1.565 1.00 0.00 O ATOM 607 CB ASP A 162 -1.222 -3.838 1.844 1.00 0.00 C ATOM 608 CG ASP A 162 -2.532 -4.597 1.865 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.518 -5.817 1.595 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.574 -3.971 2.153 1.00 0.00 O ATOM 0 H ASP A 162 -0.914 -3.322 4.234 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.303 -5.585 2.673 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.388 -2.825 2.210 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -0.873 -3.752 0.815 1.00 0.00 H new ATOM 615 N ILE A 163 1.654 -2.950 2.268 1.00 0.00 N ATOM 616 CA ILE A 163 2.958 -2.500 1.790 1.00 0.00 C ATOM 617 C ILE A 163 4.064 -3.404 2.320 1.00 0.00 C ATOM 618 O ILE A 163 4.855 -3.953 1.552 1.00 0.00 O ATOM 619 CB ILE A 163 3.260 -1.057 2.247 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.087 -0.132 1.935 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.539 -0.545 1.591 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.701 -0.135 0.482 1.00 0.00 C ATOM 0 H ILE A 163 1.103 -2.223 2.723 1.00 0.00 H new ATOM 0 HA ILE A 163 2.926 -2.537 0.701 1.00 0.00 H new ATOM 0 HB ILE A 163 3.406 -1.065 3.327 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.227 -0.432 2.533 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.344 0.884 2.234 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.736 0.474 1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.374 -1.187 1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.422 -0.556 0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.861 0.543 0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.548 0.193 -0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.413 -1.143 0.184 1.00 0.00 H new ATOM 634 N ASP A 164 4.109 -3.554 3.640 1.00 0.00 N ATOM 635 CA ASP A 164 5.113 -4.392 4.281 1.00 0.00 C ATOM 636 C ASP A 164 5.057 -5.812 3.728 1.00 0.00 C ATOM 637 O ASP A 164 6.090 -6.450 3.517 1.00 0.00 O ATOM 638 CB ASP A 164 4.904 -4.414 5.796 1.00 0.00 C ATOM 639 CG ASP A 164 6.180 -4.728 6.551 1.00 0.00 C ATOM 640 OD1 ASP A 164 7.041 -3.830 6.662 1.00 0.00 O ATOM 641 OD2 ASP A 164 6.318 -5.872 7.032 1.00 0.00 O ATOM 0 H ASP A 164 3.460 -3.105 4.286 1.00 0.00 H new ATOM 0 HA ASP A 164 6.095 -3.971 4.067 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.521 -3.447 6.121 1.00 0.00 H new ATOM 0 HB3 ASP A 164 4.146 -5.157 6.045 1.00 0.00 H new ATOM 646 N ALA A 165 3.843 -6.297 3.487 1.00 0.00 N ATOM 647 CA ALA A 165 3.647 -7.637 2.950 1.00 0.00 C ATOM 648 C ALA A 165 4.314 -7.772 1.587 1.00 0.00 C ATOM 649 O ALA A 165 4.894 -8.811 1.266 1.00 0.00 O ATOM 650 CB ALA A 165 2.164 -7.955 2.849 1.00 0.00 C ATOM 0 H ALA A 165 2.980 -5.780 3.656 1.00 0.00 H new ATOM 0 HA ALA A 165 4.110 -8.351 3.631 1.00 0.00 H new ATOM 0 HB1 ALA A 165 2.034 -8.959 2.446 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.712 -7.900 3.839 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.681 -7.234 2.189 1.00 0.00 H new ATOM 656 N TRP A 166 4.235 -6.710 0.791 1.00 0.00 N ATOM 657 CA TRP A 166 4.838 -6.704 -0.537 1.00 0.00 C ATOM 658 C TRP A 166 6.342 -6.922 -0.441 1.00 0.00 C ATOM 659 O TRP A 166 6.888 -7.855 -1.032 1.00 0.00 O ATOM 660 CB TRP A 166 4.552 -5.376 -1.238 1.00 0.00 C ATOM 661 CG TRP A 166 4.829 -5.405 -2.710 1.00 0.00 C ATOM 662 CD1 TRP A 166 5.767 -4.673 -3.381 1.00 0.00 C ATOM 663 CD2 TRP A 166 4.162 -6.201 -3.696 1.00 0.00 C ATOM 664 NE1 TRP A 166 5.725 -4.965 -4.721 1.00 0.00 N ATOM 665 CE2 TRP A 166 4.748 -5.901 -4.942 1.00 0.00 C ATOM 666 CE3 TRP A 166 3.128 -7.140 -3.649 1.00 0.00 C ATOM 667 CZ2 TRP A 166 4.334 -6.504 -6.126 1.00 0.00 C ATOM 668 CZ3 TRP A 166 2.717 -7.738 -4.826 1.00 0.00 C ATOM 669 CH2 TRP A 166 3.319 -7.419 -6.049 1.00 0.00 C ATOM 0 H TRP A 166 3.760 -5.843 1.042 1.00 0.00 H new ATOM 0 HA TRP A 166 4.402 -7.517 -1.117 1.00 0.00 H new ATOM 0 HB2 TRP A 166 3.508 -5.107 -1.078 1.00 0.00 H new ATOM 0 HB3 TRP A 166 5.156 -4.594 -0.778 1.00 0.00 H new ATOM 0 HD1 TRP A 166 6.444 -3.967 -2.923 1.00 0.00 H new ATOM 0 HE1 TRP A 166 6.324 -4.553 -5.437 1.00 0.00 H new ATOM 0 HE3 TRP A 166 2.658 -7.394 -2.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 4.797 -6.259 -7.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 1.918 -8.464 -4.801 1.00 0.00 H new ATOM 0 HH2 TRP A 166 2.975 -7.905 -6.950 1.00 0.00 H new ATOM 680 N LEU A 167 7.005 -6.051 0.310 1.00 0.00 N ATOM 681 CA LEU A 167 8.448 -6.135 0.494 1.00 0.00 C ATOM 682 C LEU A 167 8.829 -7.410 1.239 1.00 0.00 C ATOM 683 O LEU A 167 9.894 -7.982 1.007 1.00 0.00 O ATOM 684 CB LEU A 167 8.951 -4.910 1.262 1.00 0.00 C ATOM 685 CG LEU A 167 8.567 -3.563 0.644 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.891 -2.672 1.675 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.790 -2.873 0.058 1.00 0.00 C ATOM 0 H LEU A 167 6.564 -5.275 0.803 1.00 0.00 H new ATOM 0 HA LEU A 167 8.917 -6.160 -0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.562 -4.951 2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 167 10.037 -4.964 1.334 1.00 0.00 H new ATOM 0 HG LEU A 167 7.859 -3.748 -0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.626 -1.720 1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 167 6.989 -3.161 2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.573 -2.496 2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.496 -1.918 -0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.524 -2.703 0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 167 10.228 -3.504 -0.716 1.00 0.00 H new ATOM 699 N ALA A 168 7.953 -7.850 2.136 1.00 0.00 N ATOM 700 CA ALA A 168 8.196 -9.057 2.917 1.00 0.00 C ATOM 701 C ALA A 168 7.790 -10.314 2.148 1.00 0.00 C ATOM 702 O ALA A 168 8.087 -11.431 2.574 1.00 0.00 O ATOM 703 CB ALA A 168 7.450 -8.985 4.241 1.00 0.00 C ATOM 0 H ALA A 168 7.067 -7.388 2.340 1.00 0.00 H new ATOM 0 HA ALA A 168 9.267 -9.118 3.113 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.639 -9.892 4.815 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.795 -8.119 4.806 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.381 -8.892 4.052 1.00 0.00 H new