USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=4 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 174:sc= -0.947 (180deg=-1.16) 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 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= -0.239 K(o=-0.24,f=-2.5!) USER MOD Single : A 152 THR OG1 : rot -67:sc= 0.531 USER MOD Single : A 154 LYS NZ :NH3+ 150:sc= -0.538 (180deg=-1.28!) USER MOD Single : A 155 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 130 5.923 4.620 4.182 1.00 0.00 N ATOM 82 CA ILE A 130 6.416 4.998 2.864 1.00 0.00 C ATOM 83 C ILE A 130 5.591 4.348 1.758 1.00 0.00 C ATOM 84 O ILE A 130 5.483 3.124 1.689 1.00 0.00 O ATOM 85 CB ILE A 130 7.894 4.603 2.682 1.00 0.00 C ATOM 86 CG1 ILE A 130 8.716 5.045 3.895 1.00 0.00 C ATOM 87 CG2 ILE A 130 8.453 5.211 1.406 1.00 0.00 C ATOM 88 CD1 ILE A 130 8.747 6.544 4.089 1.00 0.00 C ATOM 0 HA ILE A 130 6.324 6.082 2.793 1.00 0.00 H new ATOM 0 HB ILE A 130 7.957 3.518 2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 130 8.306 4.579 4.791 1.00 0.00 H new ATOM 0 HG13 ILE A 130 9.737 4.680 3.785 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.498 4.922 1.293 1.00 0.00 H new ATOM 0 HG22 ILE A 130 7.882 4.850 0.551 1.00 0.00 H new ATOM 0 HG23 ILE A 130 8.381 6.297 1.458 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.347 6.785 4.966 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.185 7.016 3.209 1.00 0.00 H new ATOM 0 HD13 ILE A 130 7.731 6.914 4.231 1.00 0.00 H new ATOM 100 N ALA A 131 5.013 5.176 0.893 1.00 0.00 N ATOM 101 CA ALA A 131 4.202 4.681 -0.213 1.00 0.00 C ATOM 102 C ALA A 131 3.860 5.802 -1.187 1.00 0.00 C ATOM 103 O ALA A 131 3.939 6.982 -0.844 1.00 0.00 O ATOM 104 CB ALA A 131 2.930 4.031 0.309 1.00 0.00 C ATOM 0 H ALA A 131 5.091 6.192 0.937 1.00 0.00 H new ATOM 0 HA ALA A 131 4.786 3.932 -0.748 1.00 0.00 H new ATOM 0 HB1 ALA A 131 2.337 3.667 -0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 131 3.189 3.196 0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 131 2.352 4.764 0.872 1.00 0.00 H new ATOM 110 N MET A 132 3.477 5.426 -2.402 1.00 0.00 N ATOM 111 CA MET A 132 3.118 6.401 -3.424 1.00 0.00 C ATOM 112 C MET A 132 1.678 6.873 -3.238 1.00 0.00 C ATOM 113 O MET A 132 0.814 6.104 -2.816 1.00 0.00 O ATOM 114 CB MET A 132 3.297 5.797 -4.819 1.00 0.00 C ATOM 115 CG MET A 132 4.583 6.230 -5.507 1.00 0.00 C ATOM 116 SD MET A 132 4.453 6.194 -7.305 1.00 0.00 S ATOM 117 CE MET A 132 3.176 7.420 -7.578 1.00 0.00 C ATOM 0 H MET A 132 3.407 4.454 -2.703 1.00 0.00 H new ATOM 0 HA MET A 132 3.779 7.262 -3.323 1.00 0.00 H new ATOM 0 HB2 MET A 132 3.285 4.710 -4.740 1.00 0.00 H new ATOM 0 HB3 MET A 132 2.448 6.081 -5.441 1.00 0.00 H new ATOM 0 HG2 MET A 132 4.841 7.239 -5.185 1.00 0.00 H new ATOM 0 HG3 MET A 132 5.397 5.577 -5.192 1.00 0.00 H new ATOM 0 HE1 MET A 132 3.057 7.590 -8.648 1.00 0.00 H new ATOM 0 HE2 MET A 132 2.234 7.064 -7.160 1.00 0.00 H new ATOM 0 HE3 MET A 132 3.458 8.354 -7.092 1.00 0.00 H new ATOM 127 N PRO A 133 1.397 8.150 -3.551 1.00 0.00 N ATOM 128 CA PRO A 133 0.052 8.717 -3.413 1.00 0.00 C ATOM 129 C PRO A 133 -1.008 7.865 -4.102 1.00 0.00 C ATOM 130 O PRO A 133 -2.150 7.794 -3.649 1.00 0.00 O ATOM 131 CB PRO A 133 0.170 10.082 -4.094 1.00 0.00 C ATOM 132 CG PRO A 133 1.612 10.438 -3.980 1.00 0.00 C ATOM 133 CD PRO A 133 2.366 9.139 -4.061 1.00 0.00 C ATOM 0 HA PRO A 133 -0.263 8.773 -2.371 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.145 10.033 -5.136 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.461 10.824 -3.605 1.00 0.00 H new ATOM 0 HG2 PRO A 133 1.912 11.114 -4.781 1.00 0.00 H new ATOM 0 HG3 PRO A 133 1.815 10.949 -3.039 1.00 0.00 H new ATOM 0 HD2 PRO A 133 2.670 8.914 -5.083 1.00 0.00 H new ATOM 0 HD3 PRO A 133 3.273 9.162 -3.457 1.00 0.00 H new ATOM 141 N SER A 134 -0.621 7.220 -5.197 1.00 0.00 N ATOM 142 CA SER A 134 -1.540 6.370 -5.943 1.00 0.00 C ATOM 143 C SER A 134 -1.972 5.174 -5.101 1.00 0.00 C ATOM 144 O SER A 134 -3.138 4.779 -5.117 1.00 0.00 O ATOM 145 CB SER A 134 -0.888 5.890 -7.241 1.00 0.00 C ATOM 146 OG SER A 134 -1.836 5.816 -8.291 1.00 0.00 O ATOM 0 H SER A 134 0.320 7.270 -5.587 1.00 0.00 H new ATOM 0 HA SER A 134 -2.424 6.958 -6.189 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.083 6.570 -7.521 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.437 4.910 -7.084 1.00 0.00 H new ATOM 0 HG SER A 134 -1.394 5.509 -9.110 1.00 0.00 H new ATOM 152 N VAL A 135 -1.024 4.604 -4.363 1.00 0.00 N ATOM 153 CA VAL A 135 -1.308 3.455 -3.512 1.00 0.00 C ATOM 154 C VAL A 135 -2.166 3.859 -2.324 1.00 0.00 C ATOM 155 O VAL A 135 -3.154 3.197 -2.005 1.00 0.00 O ATOM 156 CB VAL A 135 -0.015 2.795 -3.006 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.330 1.550 -2.190 1.00 0.00 C ATOM 158 CG2 VAL A 135 0.893 2.456 -4.174 1.00 0.00 C ATOM 0 H VAL A 135 -0.054 4.919 -4.338 1.00 0.00 H new ATOM 0 HA VAL A 135 -1.853 2.733 -4.121 1.00 0.00 H new ATOM 0 HB VAL A 135 0.504 3.501 -2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 135 0.599 1.099 -1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -0.945 1.823 -1.332 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.870 0.835 -2.811 1.00 0.00 H new ATOM 0 HG21 VAL A 135 1.805 1.989 -3.802 1.00 0.00 H new ATOM 0 HG22 VAL A 135 0.380 1.767 -4.845 1.00 0.00 H new ATOM 0 HG23 VAL A 135 1.146 3.368 -4.714 1.00 0.00 H new ATOM 168 N ARG A 136 -1.794 4.956 -1.676 1.00 0.00 N ATOM 169 CA ARG A 136 -2.545 5.451 -0.529 1.00 0.00 C ATOM 170 C ARG A 136 -3.995 5.680 -0.923 1.00 0.00 C ATOM 171 O ARG A 136 -4.919 5.278 -0.217 1.00 0.00 O ATOM 172 CB ARG A 136 -1.932 6.749 -0.005 1.00 0.00 C ATOM 173 CG ARG A 136 -0.869 6.530 1.055 1.00 0.00 C ATOM 174 CD ARG A 136 -1.403 6.809 2.453 1.00 0.00 C ATOM 175 NE ARG A 136 -0.510 7.679 3.215 1.00 0.00 N ATOM 176 CZ ARG A 136 -0.892 8.394 4.271 1.00 0.00 C ATOM 177 NH1 ARG A 136 -2.148 8.338 4.701 1.00 0.00 N ATOM 178 NH2 ARG A 136 -0.017 9.163 4.902 1.00 0.00 N ATOM 0 H ARG A 136 -0.980 5.518 -1.924 1.00 0.00 H new ATOM 0 HA ARG A 136 -2.503 4.705 0.265 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -1.495 7.298 -0.839 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -2.723 7.374 0.409 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.508 5.503 1.002 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -0.016 7.179 0.855 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.386 7.273 2.380 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.534 5.867 2.986 1.00 0.00 H new ATOM 0 HE ARG A 136 0.464 7.742 2.920 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -2.825 7.745 4.221 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -2.435 8.888 5.511 1.00 0.00 H new ATOM 0 HH21 ARG A 136 0.949 9.207 4.579 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -0.310 9.711 5.711 1.00 0.00 H new ATOM 192 N LYS A 137 -4.179 6.315 -2.073 1.00 0.00 N ATOM 193 CA LYS A 137 -5.512 6.585 -2.592 1.00 0.00 C ATOM 194 C LYS A 137 -6.238 5.268 -2.849 1.00 0.00 C ATOM 195 O LYS A 137 -7.426 5.132 -2.553 1.00 0.00 O ATOM 196 CB LYS A 137 -5.418 7.410 -3.882 1.00 0.00 C ATOM 197 CG LYS A 137 -6.643 7.303 -4.780 1.00 0.00 C ATOM 198 CD LYS A 137 -6.487 8.142 -6.038 1.00 0.00 C ATOM 199 CE LYS A 137 -7.737 8.960 -6.321 1.00 0.00 C ATOM 200 NZ LYS A 137 -7.435 10.175 -7.129 1.00 0.00 N ATOM 0 H LYS A 137 -3.420 6.653 -2.665 1.00 0.00 H new ATOM 0 HA LYS A 137 -6.076 7.160 -1.857 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -5.263 8.457 -3.620 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -4.541 7.088 -4.443 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -6.804 6.261 -5.054 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -7.527 7.629 -4.232 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -5.632 8.809 -5.928 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -6.277 7.491 -6.887 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -8.462 8.343 -6.851 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -8.198 9.256 -5.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -8.313 10.705 -7.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -6.762 10.777 -6.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -7.018 9.892 -8.039 1.00 0.00 H new ATOM 214 N TRP A 138 -5.509 4.299 -3.393 1.00 0.00 N ATOM 215 CA TRP A 138 -6.072 2.989 -3.681 1.00 0.00 C ATOM 216 C TRP A 138 -6.554 2.327 -2.394 1.00 0.00 C ATOM 217 O TRP A 138 -7.692 1.867 -2.305 1.00 0.00 O ATOM 218 CB TRP A 138 -5.026 2.117 -4.381 1.00 0.00 C ATOM 219 CG TRP A 138 -5.401 0.672 -4.467 1.00 0.00 C ATOM 220 CD1 TRP A 138 -4.800 -0.366 -3.821 1.00 0.00 C ATOM 221 CD2 TRP A 138 -6.460 0.105 -5.246 1.00 0.00 C ATOM 222 NE1 TRP A 138 -5.419 -1.548 -4.149 1.00 0.00 N ATOM 223 CE2 TRP A 138 -6.442 -1.285 -5.023 1.00 0.00 C ATOM 224 CE3 TRP A 138 -7.421 0.638 -6.109 1.00 0.00 C ATOM 225 CZ2 TRP A 138 -7.349 -2.147 -5.632 1.00 0.00 C ATOM 226 CZ3 TRP A 138 -8.320 -0.219 -6.713 1.00 0.00 C ATOM 227 CH2 TRP A 138 -8.279 -1.599 -6.473 1.00 0.00 C ATOM 0 H TRP A 138 -4.525 4.399 -3.643 1.00 0.00 H new ATOM 0 HA TRP A 138 -6.929 3.106 -4.345 1.00 0.00 H new ATOM 0 HB2 TRP A 138 -4.863 2.500 -5.388 1.00 0.00 H new ATOM 0 HB3 TRP A 138 -4.079 2.205 -3.849 1.00 0.00 H new ATOM 0 HD1 TRP A 138 -3.960 -0.273 -3.149 1.00 0.00 H new ATOM 0 HE1 TRP A 138 -5.160 -2.470 -3.799 1.00 0.00 H new ATOM 0 HE3 TRP A 138 -7.460 1.700 -6.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 -7.320 -3.211 -5.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 -9.068 0.181 -7.382 1.00 0.00 H new ATOM 0 HH2 TRP A 138 -8.996 -2.243 -6.961 1.00 0.00 H new ATOM 238 N ALA A 139 -5.684 2.300 -1.393 1.00 0.00 N ATOM 239 CA ALA A 139 -6.023 1.714 -0.108 1.00 0.00 C ATOM 240 C ALA A 139 -7.236 2.417 0.490 1.00 0.00 C ATOM 241 O ALA A 139 -8.151 1.775 0.997 1.00 0.00 O ATOM 242 CB ALA A 139 -4.835 1.799 0.839 1.00 0.00 C ATOM 0 H ALA A 139 -4.738 2.678 -1.449 1.00 0.00 H new ATOM 0 HA ALA A 139 -6.272 0.663 -0.256 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -5.102 1.356 1.799 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -3.990 1.258 0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.560 2.844 0.985 1.00 0.00 H new ATOM 248 N ARG A 140 -7.239 3.743 0.415 1.00 0.00 N ATOM 249 CA ARG A 140 -8.342 4.537 0.939 1.00 0.00 C ATOM 250 C ARG A 140 -9.647 4.187 0.232 1.00 0.00 C ATOM 251 O ARG A 140 -10.722 4.238 0.830 1.00 0.00 O ATOM 252 CB ARG A 140 -8.047 6.029 0.779 1.00 0.00 C ATOM 253 CG ARG A 140 -6.974 6.543 1.727 1.00 0.00 C ATOM 254 CD ARG A 140 -7.555 7.475 2.778 1.00 0.00 C ATOM 255 NE ARG A 140 -7.663 8.849 2.293 1.00 0.00 N ATOM 256 CZ ARG A 140 -8.378 9.795 2.899 1.00 0.00 C ATOM 257 NH1 ARG A 140 -9.049 9.521 4.011 1.00 0.00 N ATOM 258 NH2 ARG A 140 -8.423 11.018 2.390 1.00 0.00 N ATOM 0 H ARG A 140 -6.488 4.291 -0.005 1.00 0.00 H new ATOM 0 HA ARG A 140 -8.450 4.307 1.999 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -7.735 6.221 -0.248 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -8.966 6.592 0.944 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -6.487 5.700 2.217 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -6.207 7.068 1.158 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -8.541 7.117 3.075 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -6.927 7.453 3.669 1.00 0.00 H new ATOM 0 HE ARG A 140 -7.161 9.098 1.440 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -9.019 8.581 4.406 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -9.595 10.250 4.470 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -7.910 11.234 1.535 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -8.970 11.743 2.853 1.00 0.00 H new ATOM 272 N GLU A 141 -9.548 3.834 -1.047 1.00 0.00 N ATOM 273 CA GLU A 141 -10.724 3.479 -1.833 1.00 0.00 C ATOM 274 C GLU A 141 -11.192 2.059 -1.510 1.00 0.00 C ATOM 275 O GLU A 141 -12.373 1.739 -1.645 1.00 0.00 O ATOM 276 CB GLU A 141 -10.428 3.633 -3.336 1.00 0.00 C ATOM 277 CG GLU A 141 -9.893 2.379 -4.016 1.00 0.00 C ATOM 278 CD GLU A 141 -10.907 1.743 -4.949 1.00 0.00 C ATOM 279 OE1 GLU A 141 -11.434 2.458 -5.828 1.00 0.00 O ATOM 280 OE2 GLU A 141 -11.173 0.532 -4.800 1.00 0.00 O ATOM 0 H GLU A 141 -8.667 3.786 -1.559 1.00 0.00 H new ATOM 0 HA GLU A 141 -11.532 4.161 -1.569 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -11.343 3.941 -3.842 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -9.704 4.437 -3.468 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -8.995 2.631 -4.579 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -9.600 1.655 -3.256 1.00 0.00 H new ATOM 287 N LYS A 142 -10.256 1.214 -1.086 1.00 0.00 N ATOM 288 CA LYS A 142 -10.570 -0.171 -0.747 1.00 0.00 C ATOM 289 C LYS A 142 -10.789 -0.347 0.756 1.00 0.00 C ATOM 290 O LYS A 142 -11.165 -1.427 1.212 1.00 0.00 O ATOM 291 CB LYS A 142 -9.446 -1.094 -1.218 1.00 0.00 C ATOM 292 CG LYS A 142 -9.362 -1.227 -2.730 1.00 0.00 C ATOM 293 CD LYS A 142 -9.645 -2.650 -3.182 1.00 0.00 C ATOM 294 CE LYS A 142 -10.415 -2.678 -4.493 1.00 0.00 C ATOM 295 NZ LYS A 142 -11.851 -3.010 -4.287 1.00 0.00 N ATOM 0 H LYS A 142 -9.274 1.464 -0.969 1.00 0.00 H new ATOM 0 HA LYS A 142 -11.497 -0.435 -1.256 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -8.495 -0.717 -0.841 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -9.592 -2.082 -0.782 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -10.076 -0.548 -3.196 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -8.370 -0.928 -3.068 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -8.705 -3.189 -3.300 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -10.216 -3.170 -2.413 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -10.334 -1.708 -4.983 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -9.965 -3.411 -5.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -12.340 -3.019 -5.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -11.930 -3.947 -3.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -12.287 -2.296 -3.669 1.00 0.00 H new ATOM 309 N GLY A 143 -10.546 0.712 1.525 1.00 0.00 N ATOM 310 CA GLY A 143 -10.718 0.636 2.965 1.00 0.00 C ATOM 311 C GLY A 143 -9.424 0.311 3.692 1.00 0.00 C ATOM 312 O GLY A 143 -9.362 0.373 4.920 1.00 0.00 O ATOM 0 H GLY A 143 -10.234 1.619 1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -11.107 1.586 3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -11.463 -0.125 3.199 1.00 0.00 H new ATOM 316 N VAL A 144 -8.389 -0.036 2.930 1.00 0.00 N ATOM 317 CA VAL A 144 -7.092 -0.372 3.503 1.00 0.00 C ATOM 318 C VAL A 144 -6.279 0.878 3.815 1.00 0.00 C ATOM 319 O VAL A 144 -6.345 1.871 3.092 1.00 0.00 O ATOM 320 CB VAL A 144 -6.271 -1.265 2.554 1.00 0.00 C ATOM 321 CG1 VAL A 144 -5.030 -1.789 3.263 1.00 0.00 C ATOM 322 CG2 VAL A 144 -7.119 -2.411 2.029 1.00 0.00 C ATOM 0 H VAL A 144 -8.426 -0.091 1.912 1.00 0.00 H new ATOM 0 HA VAL A 144 -7.295 -0.913 4.427 1.00 0.00 H new ATOM 0 HB VAL A 144 -5.952 -0.665 1.702 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -4.459 -2.419 2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -4.413 -0.950 3.584 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -5.328 -2.374 4.133 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -6.521 -3.030 1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -7.471 -3.015 2.865 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -7.974 -2.011 1.484 1.00 0.00 H new ATOM 332 N ASP A 145 -5.507 0.817 4.894 1.00 0.00 N ATOM 333 CA ASP A 145 -4.669 1.938 5.301 1.00 0.00 C ATOM 334 C ASP A 145 -3.196 1.602 5.089 1.00 0.00 C ATOM 335 O ASP A 145 -2.693 0.615 5.620 1.00 0.00 O ATOM 336 CB ASP A 145 -4.921 2.285 6.770 1.00 0.00 C ATOM 337 CG ASP A 145 -4.216 3.559 7.194 1.00 0.00 C ATOM 338 OD1 ASP A 145 -3.341 4.034 6.440 1.00 0.00 O ATOM 339 OD2 ASP A 145 -4.541 4.082 8.281 1.00 0.00 O ATOM 0 H ASP A 145 -5.444 0.001 5.503 1.00 0.00 H new ATOM 0 HA ASP A 145 -4.925 2.802 4.687 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -5.993 2.394 6.936 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -4.584 1.460 7.398 1.00 0.00 H new ATOM 344 N ILE A 146 -2.505 2.419 4.305 1.00 0.00 N ATOM 345 CA ILE A 146 -1.091 2.189 4.027 1.00 0.00 C ATOM 346 C ILE A 146 -0.298 1.975 5.319 1.00 0.00 C ATOM 347 O ILE A 146 0.735 1.305 5.323 1.00 0.00 O ATOM 348 CB ILE A 146 -0.480 3.360 3.221 1.00 0.00 C ATOM 349 CG1 ILE A 146 0.597 2.839 2.270 1.00 0.00 C ATOM 350 CG2 ILE A 146 0.090 4.433 4.143 1.00 0.00 C ATOM 351 CD1 ILE A 146 0.058 2.419 0.919 1.00 0.00 C ATOM 0 H ILE A 146 -2.897 3.244 3.851 1.00 0.00 H new ATOM 0 HA ILE A 146 -1.025 1.282 3.426 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.276 3.819 2.635 1.00 0.00 H new ATOM 0 HG12 ILE A 146 1.350 3.614 2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 146 1.099 1.989 2.732 1.00 0.00 H new ATOM 0 HG21 ILE A 146 0.511 5.241 3.544 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -0.704 4.827 4.777 1.00 0.00 H new ATOM 0 HG23 ILE A 146 0.871 3.999 4.767 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.877 2.060 0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.674 1.622 1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -0.418 3.272 0.436 1.00 0.00 H new ATOM 363 N ARG A 147 -0.789 2.556 6.409 1.00 0.00 N ATOM 364 CA ARG A 147 -0.130 2.441 7.707 1.00 0.00 C ATOM 365 C ARG A 147 -0.050 0.990 8.180 1.00 0.00 C ATOM 366 O ARG A 147 0.806 0.645 8.994 1.00 0.00 O ATOM 367 CB ARG A 147 -0.867 3.285 8.750 1.00 0.00 C ATOM 368 CG ARG A 147 -0.977 4.755 8.375 1.00 0.00 C ATOM 369 CD ARG A 147 -0.794 5.657 9.587 1.00 0.00 C ATOM 370 NE ARG A 147 0.472 6.384 9.542 1.00 0.00 N ATOM 371 CZ ARG A 147 0.724 7.480 10.255 1.00 0.00 C ATOM 372 NH1 ARG A 147 -0.199 7.979 11.067 1.00 0.00 N ATOM 373 NH2 ARG A 147 1.903 8.079 10.155 1.00 0.00 N ATOM 0 H ARG A 147 -1.643 3.113 6.420 1.00 0.00 H new ATOM 0 HA ARG A 147 0.889 2.811 7.589 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -1.868 2.879 8.892 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.350 3.200 9.706 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -0.225 4.997 7.624 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -1.951 4.944 7.924 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -1.619 6.368 9.638 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -0.835 5.056 10.496 1.00 0.00 H new ATOM 0 HE ARG A 147 1.206 6.031 8.928 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -1.108 7.523 11.148 1.00 0.00 H new ATOM 0 HH12 ARG A 147 0.000 8.819 11.611 1.00 0.00 H new ATOM 0 HH21 ARG A 147 2.616 7.700 9.532 1.00 0.00 H new ATOM 0 HH22 ARG A 147 2.096 8.919 10.701 1.00 0.00 H new ATOM 387 N LEU A 148 -0.940 0.140 7.671 1.00 0.00 N ATOM 388 CA LEU A 148 -0.947 -1.271 8.060 1.00 0.00 C ATOM 389 C LEU A 148 -0.476 -2.165 6.919 1.00 0.00 C ATOM 390 O LEU A 148 -0.805 -3.351 6.877 1.00 0.00 O ATOM 391 CB LEU A 148 -2.343 -1.712 8.512 1.00 0.00 C ATOM 392 CG LEU A 148 -3.504 -1.119 7.718 1.00 0.00 C ATOM 393 CD1 LEU A 148 -3.685 -1.854 6.398 1.00 0.00 C ATOM 394 CD2 LEU A 148 -4.787 -1.171 8.530 1.00 0.00 C ATOM 0 H LEU A 148 -1.659 0.399 6.995 1.00 0.00 H new ATOM 0 HA LEU A 148 -0.254 -1.375 8.895 1.00 0.00 H new ATOM 0 HB2 LEU A 148 -2.400 -2.799 8.451 1.00 0.00 H new ATOM 0 HB3 LEU A 148 -2.468 -1.445 9.561 1.00 0.00 H new ATOM 0 HG LEU A 148 -3.270 -0.076 7.503 1.00 0.00 H new ATOM 0 HD11 LEU A 148 -4.518 -1.415 5.848 1.00 0.00 H new ATOM 0 HD12 LEU A 148 -2.774 -1.768 5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -3.893 -2.906 6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 148 -5.604 -0.744 7.948 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -5.020 -2.207 8.776 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -4.659 -0.599 9.449 1.00 0.00 H new ATOM 406 N VAL A 149 0.292 -1.600 5.995 1.00 0.00 N ATOM 407 CA VAL A 149 0.792 -2.366 4.860 1.00 0.00 C ATOM 408 C VAL A 149 2.315 -2.305 4.774 1.00 0.00 C ATOM 409 O VAL A 149 2.893 -1.243 4.539 1.00 0.00 O ATOM 410 CB VAL A 149 0.188 -1.861 3.536 1.00 0.00 C ATOM 411 CG1 VAL A 149 0.645 -2.731 2.375 1.00 0.00 C ATOM 412 CG2 VAL A 149 -1.331 -1.831 3.622 1.00 0.00 C ATOM 0 H VAL A 149 0.580 -0.622 6.009 1.00 0.00 H new ATOM 0 HA VAL A 149 0.488 -3.401 5.019 1.00 0.00 H new ATOM 0 HB VAL A 149 0.541 -0.845 3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.208 -2.359 1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 149 1.732 -2.699 2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.322 -3.759 2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -1.742 -1.472 2.678 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -1.704 -2.836 3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -1.637 -1.164 4.428 1.00 0.00 H new ATOM 422 N GLN A 150 2.956 -3.454 4.961 1.00 0.00 N ATOM 423 CA GLN A 150 4.410 -3.539 4.901 1.00 0.00 C ATOM 424 C GLN A 150 4.890 -3.490 3.453 1.00 0.00 C ATOM 425 O GLN A 150 5.213 -4.517 2.858 1.00 0.00 O ATOM 426 CB GLN A 150 4.895 -4.826 5.575 1.00 0.00 C ATOM 427 CG GLN A 150 6.011 -4.602 6.582 1.00 0.00 C ATOM 428 CD GLN A 150 5.989 -5.614 7.712 1.00 0.00 C ATOM 429 OE1 GLN A 150 4.995 -6.312 7.916 1.00 0.00 O ATOM 430 NE2 GLN A 150 7.088 -5.699 8.453 1.00 0.00 N ATOM 0 H GLN A 150 2.490 -4.340 5.156 1.00 0.00 H new ATOM 0 HA GLN A 150 4.827 -2.685 5.434 1.00 0.00 H new ATOM 0 HB2 GLN A 150 4.053 -5.302 6.078 1.00 0.00 H new ATOM 0 HB3 GLN A 150 5.242 -5.519 4.809 1.00 0.00 H new ATOM 0 HG2 GLN A 150 6.972 -4.654 6.071 1.00 0.00 H new ATOM 0 HG3 GLN A 150 5.925 -3.598 6.997 1.00 0.00 H new ATOM 0 HE21 GLN A 150 7.889 -5.101 8.248 1.00 0.00 H new ATOM 0 HE22 GLN A 150 7.131 -6.362 9.227 1.00 0.00 H new ATOM 439 N GLY A 151 4.928 -2.286 2.892 1.00 0.00 N ATOM 440 CA GLY A 151 5.363 -2.119 1.517 1.00 0.00 C ATOM 441 C GLY A 151 6.732 -2.718 1.259 1.00 0.00 C ATOM 442 O GLY A 151 7.620 -2.642 2.108 1.00 0.00 O ATOM 0 H GLY A 151 4.665 -1.422 3.365 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.636 -2.584 0.851 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.384 -1.057 1.273 1.00 0.00 H new ATOM 446 N THR A 152 6.900 -3.314 0.084 1.00 0.00 N ATOM 447 CA THR A 152 8.170 -3.928 -0.287 1.00 0.00 C ATOM 448 C THR A 152 8.769 -3.248 -1.516 1.00 0.00 C ATOM 449 O THR A 152 9.563 -3.846 -2.241 1.00 0.00 O ATOM 450 CB THR A 152 7.977 -5.421 -0.562 1.00 0.00 C ATOM 451 OG1 THR A 152 6.762 -5.651 -1.252 1.00 0.00 O ATOM 452 CG2 THR A 152 7.955 -6.261 0.697 1.00 0.00 C ATOM 0 H THR A 152 6.173 -3.385 -0.628 1.00 0.00 H new ATOM 0 HA THR A 152 8.861 -3.803 0.547 1.00 0.00 H new ATOM 0 HB THR A 152 8.835 -5.718 -1.165 1.00 0.00 H new ATOM 0 HG1 THR A 152 6.007 -5.438 -0.665 1.00 0.00 H new ATOM 0 HG21 THR A 152 7.815 -7.309 0.433 1.00 0.00 H new ATOM 0 HG22 THR A 152 8.899 -6.144 1.229 1.00 0.00 H new ATOM 0 HG23 THR A 152 7.135 -5.936 1.337 1.00 0.00 H new ATOM 460 N GLY A 153 8.382 -1.996 -1.744 1.00 0.00 N ATOM 461 CA GLY A 153 8.894 -1.261 -2.885 1.00 0.00 C ATOM 462 C GLY A 153 10.323 -0.798 -2.684 1.00 0.00 C ATOM 463 O GLY A 153 10.560 0.297 -2.175 1.00 0.00 O ATOM 0 H GLY A 153 7.725 -1.479 -1.160 1.00 0.00 H new ATOM 0 HA2 GLY A 153 8.841 -1.892 -3.773 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.258 -0.396 -3.071 1.00 0.00 H new ATOM 467 N LYS A 154 11.275 -1.635 -3.085 1.00 0.00 N ATOM 468 CA LYS A 154 12.692 -1.313 -2.950 1.00 0.00 C ATOM 469 C LYS A 154 13.057 -1.030 -1.492 1.00 0.00 C ATOM 470 O LYS A 154 13.553 -1.908 -0.789 1.00 0.00 O ATOM 471 CB LYS A 154 13.052 -0.117 -3.832 1.00 0.00 C ATOM 472 CG LYS A 154 12.785 -0.353 -5.308 1.00 0.00 C ATOM 473 CD LYS A 154 13.982 -0.997 -5.988 1.00 0.00 C ATOM 474 CE LYS A 154 14.052 -2.490 -5.704 1.00 0.00 C ATOM 475 NZ LYS A 154 12.723 -3.148 -5.835 1.00 0.00 N ATOM 0 H LYS A 154 11.090 -2.545 -3.508 1.00 0.00 H new ATOM 0 HA LYS A 154 13.268 -2.178 -3.279 1.00 0.00 H new ATOM 0 HB2 LYS A 154 12.483 0.752 -3.502 1.00 0.00 H new ATOM 0 HB3 LYS A 154 14.107 0.121 -3.695 1.00 0.00 H new ATOM 0 HG2 LYS A 154 11.910 -0.993 -5.424 1.00 0.00 H new ATOM 0 HG3 LYS A 154 12.554 0.595 -5.794 1.00 0.00 H new ATOM 0 HD2 LYS A 154 13.921 -0.833 -7.064 1.00 0.00 H new ATOM 0 HD3 LYS A 154 14.898 -0.517 -5.644 1.00 0.00 H new ATOM 0 HE2 LYS A 154 14.757 -2.957 -6.392 1.00 0.00 H new ATOM 0 HE3 LYS A 154 14.437 -2.649 -4.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 12.852 -4.134 -6.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 12.234 -3.129 -4.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 12.153 -2.641 -6.541 1.00 0.00 H new ATOM 489 N ASN A 155 12.805 0.197 -1.043 1.00 0.00 N ATOM 490 CA ASN A 155 13.105 0.584 0.331 1.00 0.00 C ATOM 491 C ASN A 155 11.955 0.218 1.271 1.00 0.00 C ATOM 492 O ASN A 155 12.032 0.454 2.476 1.00 0.00 O ATOM 493 CB ASN A 155 13.384 2.086 0.410 1.00 0.00 C ATOM 494 CG ASN A 155 14.607 2.489 -0.391 1.00 0.00 C ATOM 495 OD1 ASN A 155 15.575 1.735 -0.491 1.00 0.00 O ATOM 496 ND2 ASN A 155 14.568 3.685 -0.967 1.00 0.00 N ATOM 0 H ASN A 155 12.394 0.939 -1.610 1.00 0.00 H new ATOM 0 HA ASN A 155 13.993 0.037 0.647 1.00 0.00 H new ATOM 0 HB2 ASN A 155 12.516 2.634 0.043 1.00 0.00 H new ATOM 0 HB3 ASN A 155 13.525 2.372 1.452 1.00 0.00 H new ATOM 0 HD21 ASN A 155 15.361 4.011 -1.519 1.00 0.00 H new ATOM 0 HD22 ASN A 155 13.745 4.277 -0.858 1.00 0.00 H new ATOM 503 N GLY A 156 10.891 -0.360 0.715 1.00 0.00 N ATOM 504 CA GLY A 156 9.750 -0.744 1.525 1.00 0.00 C ATOM 505 C GLY A 156 8.524 0.103 1.243 1.00 0.00 C ATOM 506 O GLY A 156 7.658 0.261 2.104 1.00 0.00 O ATOM 0 H GLY A 156 10.801 -0.568 -0.280 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.514 -1.792 1.340 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.012 -0.658 2.580 1.00 0.00 H new ATOM 510 N ARG A 157 8.450 0.649 0.033 1.00 0.00 N ATOM 511 CA ARG A 157 7.322 1.484 -0.362 1.00 0.00 C ATOM 512 C ARG A 157 6.131 0.625 -0.779 1.00 0.00 C ATOM 513 O ARG A 157 6.239 -0.204 -1.682 1.00 0.00 O ATOM 514 CB ARG A 157 7.728 2.409 -1.514 1.00 0.00 C ATOM 515 CG ARG A 157 7.468 3.881 -1.234 1.00 0.00 C ATOM 516 CD ARG A 157 6.930 4.599 -2.464 1.00 0.00 C ATOM 517 NE ARG A 157 7.709 5.793 -2.787 1.00 0.00 N ATOM 518 CZ ARG A 157 7.648 6.927 -2.095 1.00 0.00 C ATOM 519 NH1 ARG A 157 6.849 7.028 -1.039 1.00 0.00 N ATOM 520 NH2 ARG A 157 8.387 7.966 -2.459 1.00 0.00 N ATOM 0 H ARG A 157 9.158 0.528 -0.691 1.00 0.00 H new ATOM 0 HA ARG A 157 7.028 2.089 0.496 1.00 0.00 H new ATOM 0 HB2 ARG A 157 8.788 2.270 -1.724 1.00 0.00 H new ATOM 0 HB3 ARG A 157 7.184 2.117 -2.412 1.00 0.00 H new ATOM 0 HG2 ARG A 157 6.754 3.976 -0.416 1.00 0.00 H new ATOM 0 HG3 ARG A 157 8.392 4.359 -0.908 1.00 0.00 H new ATOM 0 HD2 ARG A 157 6.941 3.918 -3.315 1.00 0.00 H new ATOM 0 HD3 ARG A 157 5.891 4.880 -2.294 1.00 0.00 H new ATOM 0 HE ARG A 157 8.336 5.754 -3.590 1.00 0.00 H new ATOM 0 HH11 ARG A 157 6.277 6.233 -0.754 1.00 0.00 H new ATOM 0 HH12 ARG A 157 6.807 7.901 -0.513 1.00 0.00 H new ATOM 0 HH21 ARG A 157 9.002 7.895 -3.270 1.00 0.00 H new ATOM 0 HH22 ARG A 157 8.340 8.836 -1.928 1.00 0.00 H new ATOM 534 N VAL A 158 4.995 0.827 -0.116 1.00 0.00 N ATOM 535 CA VAL A 158 3.788 0.072 -0.425 1.00 0.00 C ATOM 536 C VAL A 158 3.251 0.443 -1.803 1.00 0.00 C ATOM 537 O VAL A 158 2.770 1.558 -2.012 1.00 0.00 O ATOM 538 CB VAL A 158 2.686 0.314 0.626 1.00 0.00 C ATOM 539 CG1 VAL A 158 1.490 -0.588 0.364 1.00 0.00 C ATOM 540 CG2 VAL A 158 3.227 0.095 2.031 1.00 0.00 C ATOM 0 H VAL A 158 4.887 1.506 0.637 1.00 0.00 H new ATOM 0 HA VAL A 158 4.062 -0.983 -0.413 1.00 0.00 H new ATOM 0 HB VAL A 158 2.357 1.350 0.545 1.00 0.00 H new ATOM 0 HG11 VAL A 158 0.723 -0.403 1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 158 1.086 -0.378 -0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 158 1.803 -1.631 0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 158 2.434 0.271 2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 158 3.587 -0.930 2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 158 4.049 0.787 2.216 1.00 0.00 H new ATOM 550 N LEU A 159 3.337 -0.495 -2.739 1.00 0.00 N ATOM 551 CA LEU A 159 2.858 -0.265 -4.099 1.00 0.00 C ATOM 552 C LEU A 159 1.509 -0.941 -4.318 1.00 0.00 C ATOM 553 O LEU A 159 1.010 -1.650 -3.443 1.00 0.00 O ATOM 554 CB LEU A 159 3.874 -0.790 -5.118 1.00 0.00 C ATOM 555 CG LEU A 159 5.342 -0.612 -4.729 1.00 0.00 C ATOM 556 CD1 LEU A 159 6.219 -1.582 -5.504 1.00 0.00 C ATOM 557 CD2 LEU A 159 5.787 0.822 -4.972 1.00 0.00 C ATOM 0 H LEU A 159 3.733 -1.422 -2.582 1.00 0.00 H new ATOM 0 HA LEU A 159 2.737 0.809 -4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 159 3.685 -1.851 -5.281 1.00 0.00 H new ATOM 0 HB3 LEU A 159 3.704 -0.286 -6.069 1.00 0.00 H new ATOM 0 HG LEU A 159 5.446 -0.829 -3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 159 7.261 -1.442 -5.215 1.00 0.00 H new ATOM 0 HD12 LEU A 159 5.915 -2.605 -5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 159 6.111 -1.396 -6.573 1.00 0.00 H new ATOM 0 HD21 LEU A 159 6.834 0.931 -4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 159 5.669 1.066 -6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 159 5.178 1.499 -4.373 1.00 0.00 H new ATOM 569 N LYS A 160 0.923 -0.721 -5.492 1.00 0.00 N ATOM 570 CA LYS A 160 -0.367 -1.316 -5.821 1.00 0.00 C ATOM 571 C LYS A 160 -0.320 -2.830 -5.639 1.00 0.00 C ATOM 572 O LYS A 160 -1.315 -3.454 -5.269 1.00 0.00 O ATOM 573 CB LYS A 160 -0.766 -0.970 -7.258 1.00 0.00 C ATOM 574 CG LYS A 160 -2.228 -0.579 -7.404 1.00 0.00 C ATOM 575 CD LYS A 160 -2.797 -1.035 -8.739 1.00 0.00 C ATOM 576 CE LYS A 160 -2.887 0.116 -9.729 1.00 0.00 C ATOM 577 NZ LYS A 160 -4.257 0.698 -9.783 1.00 0.00 N ATOM 0 H LYS A 160 1.320 -0.137 -6.228 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.115 -0.906 -5.143 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -0.142 -0.150 -7.613 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -0.561 -1.827 -7.900 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -2.806 -1.019 -6.592 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.327 0.503 -7.316 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -2.169 -1.824 -9.153 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -3.788 -1.463 -8.586 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -2.174 0.892 -9.449 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -2.603 -0.236 -10.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -4.276 1.479 -10.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -4.934 -0.035 -10.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -4.519 1.057 -8.843 1.00 0.00 H new ATOM 591 N GLU A 161 0.848 -3.409 -5.892 1.00 0.00 N ATOM 592 CA GLU A 161 1.035 -4.846 -5.746 1.00 0.00 C ATOM 593 C GLU A 161 0.986 -5.242 -4.274 1.00 0.00 C ATOM 594 O GLU A 161 0.481 -6.308 -3.923 1.00 0.00 O ATOM 595 CB GLU A 161 2.369 -5.275 -6.361 1.00 0.00 C ATOM 596 CG GLU A 161 2.389 -5.203 -7.880 1.00 0.00 C ATOM 597 CD GLU A 161 3.706 -5.668 -8.469 1.00 0.00 C ATOM 598 OE1 GLU A 161 4.743 -5.528 -7.787 1.00 0.00 O ATOM 599 OE2 GLU A 161 3.701 -6.172 -9.611 1.00 0.00 O ATOM 0 H GLU A 161 1.680 -2.904 -6.199 1.00 0.00 H new ATOM 0 HA GLU A 161 0.227 -5.354 -6.272 1.00 0.00 H new ATOM 0 HB2 GLU A 161 3.163 -4.642 -5.965 1.00 0.00 H new ATOM 0 HB3 GLU A 161 2.591 -6.296 -6.051 1.00 0.00 H new ATOM 0 HG2 GLU A 161 1.580 -5.815 -8.280 1.00 0.00 H new ATOM 0 HG3 GLU A 161 2.197 -4.177 -8.194 1.00 0.00 H new ATOM 606 N ASP A 162 1.507 -4.368 -3.418 1.00 0.00 N ATOM 607 CA ASP A 162 1.515 -4.619 -1.983 1.00 0.00 C ATOM 608 C ASP A 162 0.094 -4.621 -1.436 1.00 0.00 C ATOM 609 O ASP A 162 -0.292 -5.518 -0.686 1.00 0.00 O ATOM 610 CB ASP A 162 2.355 -3.563 -1.261 1.00 0.00 C ATOM 611 CG ASP A 162 3.844 -3.817 -1.395 1.00 0.00 C ATOM 612 OD1 ASP A 162 4.252 -4.997 -1.348 1.00 0.00 O ATOM 613 OD2 ASP A 162 4.602 -2.836 -1.546 1.00 0.00 O ATOM 0 H ASP A 162 1.928 -3.481 -3.694 1.00 0.00 H new ATOM 0 HA ASP A 162 1.959 -5.599 -1.808 1.00 0.00 H new ATOM 0 HB2 ASP A 162 2.120 -2.578 -1.664 1.00 0.00 H new ATOM 0 HB3 ASP A 162 2.085 -3.548 -0.205 1.00 0.00 H new ATOM 618 N ILE A 163 -0.685 -3.616 -1.823 1.00 0.00 N ATOM 619 CA ILE A 163 -2.067 -3.513 -1.376 1.00 0.00 C ATOM 620 C ILE A 163 -2.869 -4.726 -1.834 1.00 0.00 C ATOM 621 O ILE A 163 -3.616 -5.320 -1.057 1.00 0.00 O ATOM 622 CB ILE A 163 -2.742 -2.229 -1.897 1.00 0.00 C ATOM 623 CG1 ILE A 163 -1.918 -1.000 -1.511 1.00 0.00 C ATOM 624 CG2 ILE A 163 -4.157 -2.116 -1.348 1.00 0.00 C ATOM 625 CD1 ILE A 163 -1.779 -0.811 -0.017 1.00 0.00 C ATOM 0 H ILE A 163 -0.383 -2.864 -2.443 1.00 0.00 H new ATOM 0 HA ILE A 163 -2.050 -3.475 -0.287 1.00 0.00 H new ATOM 0 HB ILE A 163 -2.796 -2.280 -2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -0.925 -1.085 -1.952 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -2.382 -0.112 -1.940 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -4.622 -1.205 -1.724 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -4.741 -2.979 -1.667 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -4.123 -2.083 -0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -1.183 0.079 0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -2.767 -0.694 0.428 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -1.287 -1.682 0.416 1.00 0.00 H new ATOM 637 N ASP A 164 -2.701 -5.095 -3.101 1.00 0.00 N ATOM 638 CA ASP A 164 -3.400 -6.246 -3.659 1.00 0.00 C ATOM 639 C ASP A 164 -3.065 -7.504 -2.866 1.00 0.00 C ATOM 640 O ASP A 164 -3.938 -8.325 -2.581 1.00 0.00 O ATOM 641 CB ASP A 164 -3.024 -6.439 -5.129 1.00 0.00 C ATOM 642 CG ASP A 164 -4.205 -6.873 -5.976 1.00 0.00 C ATOM 643 OD1 ASP A 164 -4.533 -8.077 -5.965 1.00 0.00 O ATOM 644 OD2 ASP A 164 -4.801 -6.007 -6.650 1.00 0.00 O ATOM 0 H ASP A 164 -2.088 -4.614 -3.759 1.00 0.00 H new ATOM 0 HA ASP A 164 -4.472 -6.062 -3.593 1.00 0.00 H new ATOM 0 HB2 ASP A 164 -2.621 -5.506 -5.523 1.00 0.00 H new ATOM 0 HB3 ASP A 164 -2.233 -7.185 -5.204 1.00 0.00 H new ATOM 649 N ALA A 165 -1.795 -7.639 -2.500 1.00 0.00 N ATOM 650 CA ALA A 165 -1.342 -8.786 -1.727 1.00 0.00 C ATOM 651 C ALA A 165 -1.896 -8.722 -0.311 1.00 0.00 C ATOM 652 O ALA A 165 -2.215 -9.747 0.293 1.00 0.00 O ATOM 653 CB ALA A 165 0.178 -8.843 -1.702 1.00 0.00 C ATOM 0 H ALA A 165 -1.062 -6.967 -2.727 1.00 0.00 H new ATOM 0 HA ALA A 165 -1.713 -9.694 -2.203 1.00 0.00 H new ATOM 0 HB1 ALA A 165 0.500 -9.706 -1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 165 0.556 -8.931 -2.721 1.00 0.00 H new ATOM 0 HB3 ALA A 165 0.569 -7.933 -1.247 1.00 0.00 H new ATOM 659 N PHE A 166 -2.019 -7.505 0.207 1.00 0.00 N ATOM 660 CA PHE A 166 -2.546 -7.291 1.548 1.00 0.00 C ATOM 661 C PHE A 166 -3.967 -7.838 1.654 1.00 0.00 C ATOM 662 O PHE A 166 -4.312 -8.519 2.620 1.00 0.00 O ATOM 663 CB PHE A 166 -2.527 -5.797 1.883 1.00 0.00 C ATOM 664 CG PHE A 166 -3.190 -5.459 3.186 1.00 0.00 C ATOM 665 CD1 PHE A 166 -4.568 -5.370 3.272 1.00 0.00 C ATOM 666 CD2 PHE A 166 -2.433 -5.230 4.322 1.00 0.00 C ATOM 667 CE1 PHE A 166 -5.183 -5.058 4.470 1.00 0.00 C ATOM 668 CE2 PHE A 166 -3.040 -4.918 5.523 1.00 0.00 C ATOM 669 CZ PHE A 166 -4.417 -4.831 5.597 1.00 0.00 C ATOM 0 H PHE A 166 -1.760 -6.649 -0.284 1.00 0.00 H new ATOM 0 HA PHE A 166 -1.917 -7.822 2.262 1.00 0.00 H new ATOM 0 HB2 PHE A 166 -1.493 -5.454 1.913 1.00 0.00 H new ATOM 0 HB3 PHE A 166 -3.022 -5.248 1.082 1.00 0.00 H new ATOM 0 HD1 PHE A 166 -5.170 -5.546 2.393 1.00 0.00 H new ATOM 0 HD2 PHE A 166 -1.356 -5.296 4.269 1.00 0.00 H new ATOM 0 HE1 PHE A 166 -6.260 -4.992 4.525 1.00 0.00 H new ATOM 0 HE2 PHE A 166 -2.439 -4.742 6.403 1.00 0.00 H new ATOM 0 HZ PHE A 166 -4.894 -4.586 6.535 1.00 0.00 H new ATOM 679 N LEU A 167 -4.785 -7.534 0.651 1.00 0.00 N ATOM 680 CA LEU A 167 -6.165 -7.989 0.619 1.00 0.00 C ATOM 681 C LEU A 167 -6.249 -9.461 0.227 1.00 0.00 C ATOM 682 O LEU A 167 -7.187 -10.160 0.608 1.00 0.00 O ATOM 683 CB LEU A 167 -6.964 -7.140 -0.368 1.00 0.00 C ATOM 684 CG LEU A 167 -6.671 -5.637 -0.319 1.00 0.00 C ATOM 685 CD1 LEU A 167 -6.551 -5.068 -1.725 1.00 0.00 C ATOM 686 CD2 LEU A 167 -7.756 -4.909 0.461 1.00 0.00 C ATOM 0 H LEU A 167 -4.511 -6.971 -0.154 1.00 0.00 H new ATOM 0 HA LEU A 167 -6.586 -7.880 1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -6.765 -7.500 -1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -8.026 -7.294 -0.178 1.00 0.00 H new ATOM 0 HG LEU A 167 -5.720 -5.489 0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -6.343 -4.000 -1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -5.739 -5.569 -2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -7.485 -5.228 -2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -7.533 -3.842 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -8.720 -5.066 -0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -7.794 -5.296 1.479 1.00 0.00 H new ATOM 698 N ALA A 168 -5.265 -9.925 -0.539 1.00 0.00 N ATOM 699 CA ALA A 168 -5.232 -11.314 -0.984 1.00 0.00 C ATOM 700 C ALA A 168 -4.408 -12.182 -0.038 1.00 0.00 C ATOM 701 O ALA A 168 -3.793 -13.162 -0.460 1.00 0.00 O ATOM 702 CB ALA A 168 -4.678 -11.400 -2.397 1.00 0.00 C ATOM 0 H ALA A 168 -4.481 -9.359 -0.864 1.00 0.00 H new ATOM 0 HA ALA A 168 -6.254 -11.692 -0.979 1.00 0.00 H new ATOM 0 HB1 ALA A 168 -4.659 -12.442 -2.717 1.00 0.00 H new ATOM 0 HB2 ALA A 168 -5.312 -10.825 -3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 168 -3.666 -10.996 -2.416 1.00 0.00 H new