USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 323 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 138 TYR OH : rot 131:sc= 0.559 USER MOD Set 1.2: A 160 LYS NZ :NH3+ 134:sc= 1.74 (180deg=0.48) 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+ -158:sc= -0.0226 (180deg=-0.273) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 ASN :FLIP amide:sc= -0.13 F(o=-1.5,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 130 -5.550 3.039 -5.324 1.00 0.00 N ATOM 82 CA ILE A 130 -6.278 3.166 -4.068 1.00 0.00 C ATOM 83 C ILE A 130 -5.367 2.879 -2.883 1.00 0.00 C ATOM 84 O ILE A 130 -4.908 1.751 -2.695 1.00 0.00 O ATOM 85 CB ILE A 130 -7.492 2.217 -4.019 1.00 0.00 C ATOM 86 CG1 ILE A 130 -8.373 2.434 -5.244 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.294 2.436 -2.744 1.00 0.00 C ATOM 88 CD1 ILE A 130 -8.029 1.528 -6.406 1.00 0.00 C ATOM 0 HA ILE A 130 -6.636 4.194 -4.009 1.00 0.00 H new ATOM 0 HB ILE A 130 -7.130 1.189 -4.022 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.414 2.274 -4.965 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -8.285 3.472 -5.565 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.146 1.757 -2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.661 2.243 -1.878 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.650 3.466 -2.711 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.696 1.739 -7.242 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -6.998 1.704 -6.712 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -8.145 0.487 -6.103 1.00 0.00 H new ATOM 100 N ALA A 131 -5.105 3.909 -2.090 1.00 0.00 N ATOM 101 CA ALA A 131 -4.244 3.772 -0.922 1.00 0.00 C ATOM 102 C ALA A 131 -4.380 4.971 0.009 1.00 0.00 C ATOM 103 O ALA A 131 -4.628 6.091 -0.436 1.00 0.00 O ATOM 104 CB ALA A 131 -2.796 3.600 -1.356 1.00 0.00 C ATOM 0 H ALA A 131 -5.476 4.848 -2.234 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.558 2.885 -0.372 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.162 3.499 -0.475 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.705 2.706 -1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.482 4.472 -1.931 1.00 0.00 H new ATOM 110 N MET A 132 -4.213 4.726 1.304 1.00 0.00 N ATOM 111 CA MET A 132 -4.313 5.783 2.302 1.00 0.00 C ATOM 112 C MET A 132 -3.253 6.856 2.058 1.00 0.00 C ATOM 113 O MET A 132 -2.201 6.580 1.482 1.00 0.00 O ATOM 114 CB MET A 132 -4.155 5.195 3.706 1.00 0.00 C ATOM 115 CG MET A 132 -5.476 4.864 4.382 1.00 0.00 C ATOM 116 SD MET A 132 -6.456 6.331 4.757 1.00 0.00 S ATOM 117 CE MET A 132 -6.428 6.308 6.548 1.00 0.00 C ATOM 0 H MET A 132 -4.008 3.803 1.687 1.00 0.00 H new ATOM 0 HA MET A 132 -5.296 6.246 2.219 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.551 4.290 3.645 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.606 5.903 4.327 1.00 0.00 H new ATOM 0 HG2 MET A 132 -6.053 4.202 3.737 1.00 0.00 H new ATOM 0 HG3 MET A 132 -5.280 4.318 5.305 1.00 0.00 H new ATOM 0 HE1 MET A 132 -6.994 7.157 6.932 1.00 0.00 H new ATOM 0 HE2 MET A 132 -6.876 5.381 6.907 1.00 0.00 H new ATOM 0 HE3 MET A 132 -5.397 6.372 6.897 1.00 0.00 H new ATOM 127 N PRO A 133 -3.517 8.103 2.490 1.00 0.00 N ATOM 128 CA PRO A 133 -2.578 9.217 2.309 1.00 0.00 C ATOM 129 C PRO A 133 -1.225 8.948 2.959 1.00 0.00 C ATOM 130 O PRO A 133 -0.206 9.498 2.542 1.00 0.00 O ATOM 131 CB PRO A 133 -3.274 10.396 2.998 1.00 0.00 C ATOM 132 CG PRO A 133 -4.716 10.021 3.038 1.00 0.00 C ATOM 133 CD PRO A 133 -4.745 8.527 3.183 1.00 0.00 C ATOM 0 HA PRO A 133 -2.360 9.392 1.255 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.880 10.556 4.001 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -3.122 11.323 2.444 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -5.223 10.505 3.873 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -5.228 10.336 2.128 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.743 8.223 4.230 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.636 8.094 2.727 1.00 0.00 H new ATOM 141 N SER A 134 -1.221 8.100 3.983 1.00 0.00 N ATOM 142 CA SER A 134 0.009 7.763 4.690 1.00 0.00 C ATOM 143 C SER A 134 0.681 6.541 4.071 1.00 0.00 C ATOM 144 O SER A 134 1.907 6.429 4.068 1.00 0.00 O ATOM 145 CB SER A 134 -0.285 7.502 6.168 1.00 0.00 C ATOM 146 OG SER A 134 -0.598 8.706 6.847 1.00 0.00 O ATOM 0 H SER A 134 -2.055 7.634 4.341 1.00 0.00 H new ATOM 0 HA SER A 134 0.690 8.610 4.603 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.117 6.803 6.259 1.00 0.00 H new ATOM 0 HB3 SER A 134 0.579 7.031 6.636 1.00 0.00 H new ATOM 0 HG SER A 134 -0.783 8.511 7.789 1.00 0.00 H new ATOM 152 N VAL A 135 -0.130 5.627 3.548 1.00 0.00 N ATOM 153 CA VAL A 135 0.390 4.413 2.931 1.00 0.00 C ATOM 154 C VAL A 135 1.179 4.728 1.674 1.00 0.00 C ATOM 155 O VAL A 135 2.274 4.208 1.472 1.00 0.00 O ATOM 156 CB VAL A 135 -0.739 3.430 2.581 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.187 2.196 1.879 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.497 3.045 3.836 1.00 0.00 C ATOM 0 H VAL A 135 -1.147 5.704 3.539 1.00 0.00 H new ATOM 0 HA VAL A 135 1.051 3.949 3.663 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.428 3.921 1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -1.005 1.516 1.642 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.315 2.495 0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.525 1.693 2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.295 2.348 3.580 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.815 2.571 4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.927 3.938 4.290 1.00 0.00 H new ATOM 168 N ARG A 136 0.623 5.580 0.829 1.00 0.00 N ATOM 169 CA ARG A 136 1.292 5.957 -0.407 1.00 0.00 C ATOM 170 C ARG A 136 2.691 6.485 -0.103 1.00 0.00 C ATOM 171 O ARG A 136 3.604 6.367 -0.920 1.00 0.00 O ATOM 172 CB ARG A 136 0.480 7.016 -1.152 1.00 0.00 C ATOM 173 CG ARG A 136 -0.913 6.549 -1.545 1.00 0.00 C ATOM 174 CD ARG A 136 -1.954 7.630 -1.304 1.00 0.00 C ATOM 175 NE ARG A 136 -1.823 8.736 -2.249 1.00 0.00 N ATOM 176 CZ ARG A 136 -2.278 8.703 -3.499 1.00 0.00 C ATOM 177 NH1 ARG A 136 -2.892 7.620 -3.960 1.00 0.00 N ATOM 178 NH2 ARG A 136 -2.119 9.755 -4.290 1.00 0.00 N ATOM 0 H ARG A 136 -0.285 6.022 0.974 1.00 0.00 H new ATOM 0 HA ARG A 136 1.376 5.075 -1.042 1.00 0.00 H new ATOM 0 HB2 ARG A 136 0.393 7.903 -0.525 1.00 0.00 H new ATOM 0 HB3 ARG A 136 1.022 7.312 -2.050 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.919 6.265 -2.597 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.174 5.658 -0.973 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.951 7.198 -1.387 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.855 8.009 -0.287 1.00 0.00 H new ATOM 0 HE ARG A 136 -1.355 9.585 -1.932 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -3.017 6.808 -3.355 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -3.239 7.600 -4.919 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -1.648 10.589 -3.940 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -2.468 9.730 -5.248 1.00 0.00 H new ATOM 192 N LYS A 137 2.850 7.047 1.093 1.00 0.00 N ATOM 193 CA LYS A 137 4.133 7.575 1.527 1.00 0.00 C ATOM 194 C LYS A 137 5.044 6.438 1.958 1.00 0.00 C ATOM 195 O LYS A 137 6.216 6.384 1.585 1.00 0.00 O ATOM 196 CB LYS A 137 3.943 8.562 2.682 1.00 0.00 C ATOM 197 CG LYS A 137 5.240 9.182 3.173 1.00 0.00 C ATOM 198 CD LYS A 137 5.793 10.182 2.171 1.00 0.00 C ATOM 199 CE LYS A 137 6.377 11.403 2.864 1.00 0.00 C ATOM 200 NZ LYS A 137 5.325 12.220 3.529 1.00 0.00 N ATOM 0 H LYS A 137 2.101 7.147 1.778 1.00 0.00 H new ATOM 0 HA LYS A 137 4.593 8.103 0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.269 9.356 2.362 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.459 8.048 3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 137 5.068 9.679 4.128 1.00 0.00 H new ATOM 0 HG3 LYS A 137 5.976 8.397 3.350 1.00 0.00 H new ATOM 0 HD2 LYS A 137 6.563 9.704 1.565 1.00 0.00 H new ATOM 0 HD3 LYS A 137 5.000 10.493 1.491 1.00 0.00 H new ATOM 0 HE2 LYS A 137 7.111 11.084 3.604 1.00 0.00 H new ATOM 0 HE3 LYS A 137 6.906 12.016 2.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 5.671 13.192 3.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 4.470 12.233 2.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 5.098 11.806 4.456 1.00 0.00 H new ATOM 214 N TYR A 138 4.487 5.531 2.753 1.00 0.00 N ATOM 215 CA TYR A 138 5.237 4.390 3.248 1.00 0.00 C ATOM 216 C TYR A 138 5.711 3.515 2.095 1.00 0.00 C ATOM 217 O TYR A 138 6.884 3.153 2.019 1.00 0.00 O ATOM 218 CB TYR A 138 4.361 3.574 4.188 1.00 0.00 C ATOM 219 CG TYR A 138 5.040 2.322 4.686 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.193 2.391 5.457 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.537 1.071 4.366 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.823 1.244 5.896 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.157 -0.078 4.801 1.00 0.00 C ATOM 224 CZ TYR A 138 6.301 0.011 5.567 1.00 0.00 C ATOM 225 OH TYR A 138 6.925 -1.136 6.001 1.00 0.00 O ATOM 0 H TYR A 138 3.517 5.567 3.067 1.00 0.00 H new ATOM 0 HA TYR A 138 6.112 4.754 3.786 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.078 4.191 5.041 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.440 3.301 3.673 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.603 3.356 5.717 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.643 0.996 3.765 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.720 1.312 6.494 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.750 -1.045 4.544 1.00 0.00 H new ATOM 0 HH TYR A 138 6.264 -1.733 6.411 1.00 0.00 H new ATOM 235 N ALA A 139 4.798 3.205 1.183 1.00 0.00 N ATOM 236 CA ALA A 139 5.134 2.406 0.018 1.00 0.00 C ATOM 237 C ALA A 139 6.123 3.175 -0.835 1.00 0.00 C ATOM 238 O ALA A 139 7.124 2.638 -1.293 1.00 0.00 O ATOM 239 CB ALA A 139 3.884 2.072 -0.786 1.00 0.00 C ATOM 0 H ALA A 139 3.821 3.496 1.230 1.00 0.00 H new ATOM 0 HA ALA A 139 5.582 1.466 0.341 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.159 1.473 -1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.190 1.509 -0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.408 2.994 -1.118 1.00 0.00 H new ATOM 245 N ARG A 140 5.839 4.456 -1.018 1.00 0.00 N ATOM 246 CA ARG A 140 6.707 5.325 -1.795 1.00 0.00 C ATOM 247 C ARG A 140 8.133 5.277 -1.244 1.00 0.00 C ATOM 248 O ARG A 140 9.104 5.408 -1.990 1.00 0.00 O ATOM 249 CB ARG A 140 6.170 6.761 -1.766 1.00 0.00 C ATOM 250 CG ARG A 140 7.140 7.796 -2.318 1.00 0.00 C ATOM 251 CD ARG A 140 7.841 8.553 -1.203 1.00 0.00 C ATOM 252 NE ARG A 140 8.685 9.631 -1.716 1.00 0.00 N ATOM 253 CZ ARG A 140 8.220 10.819 -2.095 1.00 0.00 C ATOM 254 NH1 ARG A 140 6.922 11.085 -2.026 1.00 0.00 N ATOM 255 NH2 ARG A 140 9.056 11.743 -2.547 1.00 0.00 N ATOM 0 H ARG A 140 5.012 4.916 -0.638 1.00 0.00 H new ATOM 0 HA ARG A 140 6.724 4.978 -2.828 1.00 0.00 H new ATOM 0 HB2 ARG A 140 5.244 6.803 -2.340 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.920 7.024 -0.738 1.00 0.00 H new ATOM 0 HG2 ARG A 140 7.882 7.302 -2.946 1.00 0.00 H new ATOM 0 HG3 ARG A 140 6.601 8.499 -2.953 1.00 0.00 H new ATOM 0 HD2 ARG A 140 7.097 8.968 -0.524 1.00 0.00 H new ATOM 0 HD3 ARG A 140 8.451 7.860 -0.623 1.00 0.00 H new ATOM 0 HE ARG A 140 9.688 9.463 -1.788 1.00 0.00 H new ATOM 0 HH11 ARG A 140 6.274 10.377 -1.681 1.00 0.00 H new ATOM 0 HH12 ARG A 140 6.572 11.998 -2.318 1.00 0.00 H new ATOM 0 HH21 ARG A 140 10.055 11.543 -2.604 1.00 0.00 H new ATOM 0 HH22 ARG A 140 8.701 12.654 -2.838 1.00 0.00 H new ATOM 269 N GLU A 141 8.248 5.084 0.068 1.00 0.00 N ATOM 270 CA GLU A 141 9.546 5.009 0.723 1.00 0.00 C ATOM 271 C GLU A 141 10.120 3.603 0.645 1.00 0.00 C ATOM 272 O GLU A 141 11.321 3.416 0.452 1.00 0.00 O ATOM 273 CB GLU A 141 9.422 5.439 2.185 1.00 0.00 C ATOM 274 CG GLU A 141 9.372 6.946 2.377 1.00 0.00 C ATOM 275 CD GLU A 141 10.751 7.574 2.416 1.00 0.00 C ATOM 276 OE1 GLU A 141 11.686 6.920 2.924 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.895 8.719 1.940 1.00 0.00 O ATOM 0 H GLU A 141 7.453 4.977 0.698 1.00 0.00 H new ATOM 0 HA GLU A 141 10.226 5.685 0.204 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.520 4.998 2.609 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.267 5.038 2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.796 7.393 1.567 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.847 7.173 3.305 1.00 0.00 H new ATOM 284 N LYS A 142 9.248 2.616 0.815 1.00 0.00 N ATOM 285 CA LYS A 142 9.648 1.218 0.785 1.00 0.00 C ATOM 286 C LYS A 142 9.765 0.681 -0.642 1.00 0.00 C ATOM 287 O LYS A 142 9.619 -0.521 -0.867 1.00 0.00 O ATOM 288 CB LYS A 142 8.622 0.391 1.561 1.00 0.00 C ATOM 289 CG LYS A 142 8.567 0.699 3.052 1.00 0.00 C ATOM 290 CD LYS A 142 9.952 0.914 3.641 1.00 0.00 C ATOM 291 CE LYS A 142 9.883 1.216 5.128 1.00 0.00 C ATOM 292 NZ LYS A 142 11.232 1.210 5.759 1.00 0.00 N ATOM 0 H LYS A 142 8.252 2.762 0.976 1.00 0.00 H new ATOM 0 HA LYS A 142 10.633 1.139 1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.635 0.561 1.130 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.850 -0.667 1.429 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.961 1.590 3.216 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.075 -0.122 3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.560 0.025 3.477 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.445 1.737 3.124 1.00 0.00 H new ATOM 0 HE2 LYS A 142 9.416 2.189 5.280 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.249 0.478 5.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 11.142 1.420 6.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.668 0.274 5.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.830 1.932 5.308 1.00 0.00 H new ATOM 306 N GLY A 143 10.018 1.564 -1.608 1.00 0.00 N ATOM 307 CA GLY A 143 10.132 1.124 -2.992 1.00 0.00 C ATOM 308 C GLY A 143 8.915 0.335 -3.442 1.00 0.00 C ATOM 309 O GLY A 143 8.979 -0.442 -4.394 1.00 0.00 O ATOM 0 H GLY A 143 10.145 2.565 -1.461 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.260 1.992 -3.639 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.025 0.508 -3.104 1.00 0.00 H new ATOM 313 N VAL A 144 7.808 0.540 -2.740 1.00 0.00 N ATOM 314 CA VAL A 144 6.553 -0.135 -3.029 1.00 0.00 C ATOM 315 C VAL A 144 5.564 0.813 -3.692 1.00 0.00 C ATOM 316 O VAL A 144 5.394 1.953 -3.261 1.00 0.00 O ATOM 317 CB VAL A 144 5.914 -0.667 -1.733 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.613 -1.397 -2.031 1.00 0.00 C ATOM 319 CG2 VAL A 144 6.883 -1.567 -0.983 1.00 0.00 C ATOM 0 H VAL A 144 7.757 1.183 -1.950 1.00 0.00 H new ATOM 0 HA VAL A 144 6.778 -0.962 -3.703 1.00 0.00 H new ATOM 0 HB VAL A 144 5.683 0.185 -1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.180 -1.764 -1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 144 3.914 -0.713 -2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.812 -2.238 -2.695 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.410 -1.931 -0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.155 -2.414 -1.613 1.00 0.00 H new ATOM 0 HG23 VAL A 144 7.779 -1.003 -0.726 1.00 0.00 H new ATOM 329 N ASP A 145 4.893 0.321 -4.719 1.00 0.00 N ATOM 330 CA ASP A 145 3.894 1.101 -5.422 1.00 0.00 C ATOM 331 C ASP A 145 2.541 0.436 -5.242 1.00 0.00 C ATOM 332 O ASP A 145 2.394 -0.757 -5.489 1.00 0.00 O ATOM 333 CB ASP A 145 4.240 1.218 -6.907 1.00 0.00 C ATOM 334 CG ASP A 145 3.435 2.296 -7.605 1.00 0.00 C ATOM 335 OD1 ASP A 145 2.226 2.078 -7.835 1.00 0.00 O ATOM 336 OD2 ASP A 145 4.010 3.358 -7.921 1.00 0.00 O ATOM 0 H ASP A 145 5.025 -0.622 -5.085 1.00 0.00 H new ATOM 0 HA ASP A 145 3.867 2.110 -5.010 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.303 1.436 -7.014 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.060 0.260 -7.396 1.00 0.00 H new ATOM 341 N ILE A 146 1.562 1.200 -4.786 1.00 0.00 N ATOM 342 CA ILE A 146 0.224 0.668 -4.552 1.00 0.00 C ATOM 343 C ILE A 146 -0.263 -0.174 -5.733 1.00 0.00 C ATOM 344 O ILE A 146 -1.090 -1.070 -5.565 1.00 0.00 O ATOM 345 CB ILE A 146 -0.792 1.795 -4.276 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.240 2.777 -3.239 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.111 1.215 -3.795 1.00 0.00 C ATOM 348 CD1 ILE A 146 0.072 2.138 -1.901 1.00 0.00 C ATOM 0 H ILE A 146 1.666 2.191 -4.570 1.00 0.00 H new ATOM 0 HA ILE A 146 0.294 0.030 -3.671 1.00 0.00 H new ATOM 0 HB ILE A 146 -0.965 2.334 -5.208 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.667 3.236 -3.633 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -0.964 3.578 -3.089 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.816 2.024 -3.605 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.517 0.552 -4.559 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -1.948 0.653 -2.876 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.459 2.894 -1.218 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.837 1.703 -1.485 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.819 1.356 -2.037 1.00 0.00 H new ATOM 360 N ARG A 147 0.262 0.107 -6.924 1.00 0.00 N ATOM 361 CA ARG A 147 -0.127 -0.636 -8.120 1.00 0.00 C ATOM 362 C ARG A 147 0.252 -2.105 -7.983 1.00 0.00 C ATOM 363 O ARG A 147 -0.467 -2.995 -8.436 1.00 0.00 O ATOM 364 CB ARG A 147 0.542 -0.039 -9.359 1.00 0.00 C ATOM 365 CG ARG A 147 -0.181 1.176 -9.916 1.00 0.00 C ATOM 366 CD ARG A 147 0.550 1.759 -11.115 1.00 0.00 C ATOM 367 NE ARG A 147 -0.354 2.469 -12.016 1.00 0.00 N ATOM 368 CZ ARG A 147 -1.234 1.865 -12.811 1.00 0.00 C ATOM 369 NH1 ARG A 147 -1.331 0.541 -12.820 1.00 0.00 N ATOM 370 NH2 ARG A 147 -2.019 2.586 -13.600 1.00 0.00 N ATOM 0 H ARG A 147 0.954 0.839 -7.086 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.209 -0.562 -8.232 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.566 0.241 -9.110 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.600 -0.803 -10.134 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -1.194 0.896 -10.207 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.271 1.935 -9.139 1.00 0.00 H new ATOM 0 HD2 ARG A 147 1.327 2.441 -10.769 1.00 0.00 H new ATOM 0 HD3 ARG A 147 1.049 0.958 -11.660 1.00 0.00 H new ATOM 0 HE ARG A 147 -0.308 3.488 -12.037 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -0.729 -0.019 -12.216 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -2.007 0.083 -13.431 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -1.948 3.604 -13.598 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -2.693 2.123 -14.209 1.00 0.00 H new ATOM 384 N LEU A 148 1.387 -2.340 -7.344 1.00 0.00 N ATOM 385 CA LEU A 148 1.892 -3.684 -7.120 1.00 0.00 C ATOM 386 C LEU A 148 1.348 -4.260 -5.814 1.00 0.00 C ATOM 387 O LEU A 148 1.579 -5.428 -5.498 1.00 0.00 O ATOM 388 CB LEU A 148 3.422 -3.662 -7.077 1.00 0.00 C ATOM 389 CG LEU A 148 4.073 -2.476 -7.792 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.581 -2.506 -7.631 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.694 -2.468 -9.264 1.00 0.00 C ATOM 0 H LEU A 148 1.984 -1.604 -6.966 1.00 0.00 H new ATOM 0 HA LEU A 148 1.558 -4.318 -7.942 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.741 -3.658 -6.035 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.796 -4.584 -7.521 1.00 0.00 H new ATOM 0 HG LEU A 148 3.702 -1.559 -7.333 1.00 0.00 H new ATOM 0 HD11 LEU A 148 6.019 -1.653 -8.148 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.835 -2.458 -6.572 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.974 -3.429 -8.057 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.166 -1.618 -9.757 1.00 0.00 H new ATOM 0 HD22 LEU A 148 4.033 -3.392 -9.732 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.611 -2.388 -9.360 1.00 0.00 H new ATOM 403 N VAL A 149 0.635 -3.433 -5.049 1.00 0.00 N ATOM 404 CA VAL A 149 0.079 -3.865 -3.775 1.00 0.00 C ATOM 405 C VAL A 149 -1.446 -3.876 -3.811 1.00 0.00 C ATOM 406 O VAL A 149 -2.078 -2.853 -4.069 1.00 0.00 O ATOM 407 CB VAL A 149 0.543 -2.953 -2.618 1.00 0.00 C ATOM 408 CG1 VAL A 149 0.424 -3.676 -1.287 1.00 0.00 C ATOM 409 CG2 VAL A 149 1.971 -2.469 -2.839 1.00 0.00 C ATOM 0 H VAL A 149 0.431 -2.464 -5.292 1.00 0.00 H new ATOM 0 HA VAL A 149 0.444 -4.877 -3.603 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.108 -2.079 -2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.755 -3.017 -0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -0.615 -3.959 -1.118 1.00 0.00 H new ATOM 0 HG13 VAL A 149 1.046 -4.571 -1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 149 2.271 -1.829 -2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.641 -3.327 -2.896 1.00 0.00 H new ATOM 0 HG23 VAL A 149 2.024 -1.904 -3.770 1.00 0.00 H new ATOM 419 N GLN A 150 -2.030 -5.041 -3.545 1.00 0.00 N ATOM 420 CA GLN A 150 -3.481 -5.185 -3.543 1.00 0.00 C ATOM 421 C GLN A 150 -4.051 -4.829 -2.174 1.00 0.00 C ATOM 422 O GLN A 150 -3.910 -5.587 -1.213 1.00 0.00 O ATOM 423 CB GLN A 150 -3.872 -6.615 -3.923 1.00 0.00 C ATOM 424 CG GLN A 150 -4.870 -6.687 -5.067 1.00 0.00 C ATOM 425 CD GLN A 150 -4.781 -7.990 -5.838 1.00 0.00 C ATOM 426 OE1 GLN A 150 -4.555 -7.994 -7.049 1.00 0.00 O ATOM 427 NE2 GLN A 150 -4.958 -9.105 -5.139 1.00 0.00 N ATOM 0 H GLN A 150 -1.521 -5.898 -3.328 1.00 0.00 H new ATOM 0 HA GLN A 150 -3.898 -4.499 -4.281 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -2.974 -7.167 -4.199 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.296 -7.112 -3.050 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -5.879 -6.571 -4.672 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -4.697 -5.854 -5.748 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -5.143 -9.055 -4.137 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -4.909 -10.012 -5.604 1.00 0.00 H new ATOM 436 N GLY A 151 -4.692 -3.667 -2.089 1.00 0.00 N ATOM 437 CA GLY A 151 -5.267 -3.227 -0.833 1.00 0.00 C ATOM 438 C GLY A 151 -6.595 -3.891 -0.530 1.00 0.00 C ATOM 439 O GLY A 151 -7.437 -4.043 -1.415 1.00 0.00 O ATOM 0 H GLY A 151 -4.823 -3.023 -2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.567 -3.439 -0.024 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.404 -2.146 -0.861 1.00 0.00 H new ATOM 443 N THR A 152 -6.781 -4.286 0.725 1.00 0.00 N ATOM 444 CA THR A 152 -8.016 -4.937 1.150 1.00 0.00 C ATOM 445 C THR A 152 -8.732 -4.111 2.216 1.00 0.00 C ATOM 446 O THR A 152 -9.477 -4.650 3.034 1.00 0.00 O ATOM 447 CB THR A 152 -7.717 -6.337 1.688 1.00 0.00 C ATOM 448 OG1 THR A 152 -6.369 -6.434 2.114 1.00 0.00 O ATOM 449 CG2 THR A 152 -7.955 -7.433 0.672 1.00 0.00 C ATOM 0 H THR A 152 -6.091 -4.167 1.467 1.00 0.00 H new ATOM 0 HA THR A 152 -8.671 -5.019 0.283 1.00 0.00 H new ATOM 0 HB THR A 152 -8.406 -6.478 2.520 1.00 0.00 H new ATOM 0 HG1 THR A 152 -6.198 -7.336 2.456 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.724 -8.400 1.119 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.999 -7.418 0.359 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.314 -7.271 -0.195 1.00 0.00 H new ATOM 457 N GLY A 153 -8.496 -2.802 2.210 1.00 0.00 N ATOM 458 CA GLY A 153 -9.121 -1.932 3.191 1.00 0.00 C ATOM 459 C GLY A 153 -10.330 -1.194 2.647 1.00 0.00 C ATOM 460 O GLY A 153 -10.273 -0.601 1.571 1.00 0.00 O ATOM 0 H GLY A 153 -7.884 -2.329 1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.423 -2.525 4.054 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.388 -1.206 3.544 1.00 0.00 H new ATOM 464 N LYS A 154 -11.423 -1.226 3.405 1.00 0.00 N ATOM 465 CA LYS A 154 -12.658 -0.552 3.015 1.00 0.00 C ATOM 466 C LYS A 154 -13.120 -0.982 1.621 1.00 0.00 C ATOM 467 O LYS A 154 -13.925 -1.905 1.487 1.00 0.00 O ATOM 468 CB LYS A 154 -12.477 0.967 3.078 1.00 0.00 C ATOM 469 CG LYS A 154 -13.735 1.741 2.722 1.00 0.00 C ATOM 470 CD LYS A 154 -14.162 2.665 3.851 1.00 0.00 C ATOM 471 CE LYS A 154 -13.274 3.897 3.929 1.00 0.00 C ATOM 472 NZ LYS A 154 -14.046 5.117 4.289 1.00 0.00 N ATOM 0 H LYS A 154 -11.478 -1.715 4.298 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.435 -0.845 3.722 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -12.160 1.246 4.083 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -11.676 1.258 2.399 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -13.560 2.326 1.819 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -14.541 1.043 2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -15.197 2.970 3.701 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -14.123 2.126 4.798 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -12.490 3.733 4.668 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -12.781 4.050 2.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -13.404 5.934 4.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -14.778 5.289 3.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -14.496 4.982 5.217 1.00 0.00 H new ATOM 486 N ASN A 155 -12.618 -0.312 0.584 1.00 0.00 N ATOM 487 CA ASN A 155 -12.995 -0.637 -0.787 1.00 0.00 C ATOM 488 C ASN A 155 -11.804 -1.188 -1.566 1.00 0.00 C ATOM 489 O ASN A 155 -11.710 -1.014 -2.781 1.00 0.00 O ATOM 490 CB ASN A 155 -13.556 0.602 -1.491 1.00 0.00 C ATOM 491 CG ASN A 155 -12.497 1.656 -1.756 1.00 0.00 C ATOM 492 OD1 ASN A 155 -12.127 2.399 -0.719 1.00 0.00 O flip ATOM 493 ND2 ASN A 155 -12.018 1.802 -2.881 1.00 0.00 N flip ATOM 0 H ASN A 155 -11.952 0.456 0.669 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.766 -1.406 -0.752 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -14.010 0.303 -2.436 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -14.348 1.035 -0.880 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -12.331 1.209 -3.650 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -11.308 2.516 -3.044 1.00 0.00 H new ATOM 500 N GLY A 156 -10.898 -1.854 -0.858 1.00 0.00 N ATOM 501 CA GLY A 156 -9.728 -2.421 -1.500 1.00 0.00 C ATOM 502 C GLY A 156 -8.520 -1.504 -1.430 1.00 0.00 C ATOM 503 O GLY A 156 -7.558 -1.680 -2.178 1.00 0.00 O ATOM 0 H GLY A 156 -10.954 -2.011 0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.485 -3.373 -1.028 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -9.958 -2.633 -2.544 1.00 0.00 H new ATOM 507 N ARG A 157 -8.567 -0.527 -0.529 1.00 0.00 N ATOM 508 CA ARG A 157 -7.466 0.414 -0.367 1.00 0.00 C ATOM 509 C ARG A 157 -6.286 -0.252 0.332 1.00 0.00 C ATOM 510 O ARG A 157 -6.466 -1.022 1.275 1.00 0.00 O ATOM 511 CB ARG A 157 -7.926 1.636 0.432 1.00 0.00 C ATOM 512 CG ARG A 157 -6.851 2.698 0.593 1.00 0.00 C ATOM 513 CD ARG A 157 -7.367 3.903 1.363 1.00 0.00 C ATOM 514 NE ARG A 157 -8.327 4.681 0.583 1.00 0.00 N ATOM 515 CZ ARG A 157 -9.637 4.440 0.557 1.00 0.00 C ATOM 516 NH1 ARG A 157 -10.154 3.445 1.269 1.00 0.00 N ATOM 517 NH2 ARG A 157 -10.435 5.198 -0.183 1.00 0.00 N ATOM 0 H ARG A 157 -9.355 -0.367 0.099 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.145 0.738 -1.357 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.791 2.078 -0.063 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.255 1.311 1.419 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -5.993 2.272 1.114 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.502 3.015 -0.390 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -7.838 3.568 2.287 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.528 4.540 1.645 1.00 0.00 H new ATOM 0 HE ARG A 157 -7.972 5.457 0.024 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -9.547 2.858 1.842 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -11.158 3.268 1.243 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -10.046 5.965 -0.732 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -11.438 5.014 -0.204 1.00 0.00 H new ATOM 531 N VAL A 158 -5.080 0.042 -0.141 1.00 0.00 N ATOM 532 CA VAL A 158 -3.874 -0.538 0.438 1.00 0.00 C ATOM 533 C VAL A 158 -3.539 0.102 1.779 1.00 0.00 C ATOM 534 O VAL A 158 -3.586 1.323 1.932 1.00 0.00 O ATOM 535 CB VAL A 158 -2.662 -0.397 -0.514 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.349 -0.618 0.224 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.782 -1.371 -1.672 1.00 0.00 C ATOM 0 H VAL A 158 -4.912 0.677 -0.922 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.079 -1.597 0.592 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.662 0.621 -0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.518 -0.512 -0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.251 0.119 1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.337 -1.620 0.653 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.922 -1.259 -2.332 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.814 -2.391 -1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.696 -1.164 -2.229 1.00 0.00 H new ATOM 547 N LEU A 159 -3.188 -0.739 2.742 1.00 0.00 N ATOM 548 CA LEU A 159 -2.827 -0.278 4.074 1.00 0.00 C ATOM 549 C LEU A 159 -1.329 -0.443 4.295 1.00 0.00 C ATOM 550 O LEU A 159 -0.665 -1.171 3.558 1.00 0.00 O ATOM 551 CB LEU A 159 -3.598 -1.074 5.130 1.00 0.00 C ATOM 552 CG LEU A 159 -5.114 -0.849 5.145 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.709 -1.326 6.461 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.450 0.617 4.908 1.00 0.00 C ATOM 0 H LEU A 159 -3.146 -1.751 2.623 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.086 0.777 4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.407 -2.135 4.972 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.200 -0.821 6.113 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.551 -1.431 4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.786 -1.159 6.455 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.507 -2.390 6.587 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.260 -0.772 7.285 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.532 0.749 4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -4.999 1.225 5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.060 0.927 3.939 1.00 0.00 H new ATOM 566 N LYS A 160 -0.789 0.219 5.312 1.00 0.00 N ATOM 567 CA LYS A 160 0.635 0.104 5.599 1.00 0.00 C ATOM 568 C LYS A 160 0.996 -1.358 5.818 1.00 0.00 C ATOM 569 O LYS A 160 2.082 -1.805 5.451 1.00 0.00 O ATOM 570 CB LYS A 160 1.020 0.935 6.824 1.00 0.00 C ATOM 571 CG LYS A 160 2.522 1.009 7.055 1.00 0.00 C ATOM 572 CD LYS A 160 2.886 0.670 8.492 1.00 0.00 C ATOM 573 CE LYS A 160 4.168 -0.143 8.565 1.00 0.00 C ATOM 574 NZ LYS A 160 5.376 0.726 8.610 1.00 0.00 N ATOM 0 H LYS A 160 -1.306 0.832 5.942 1.00 0.00 H new ATOM 0 HA LYS A 160 1.192 0.490 4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.628 1.945 6.707 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.544 0.509 7.707 1.00 0.00 H new ATOM 0 HG2 LYS A 160 3.029 0.320 6.379 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.878 2.011 6.816 1.00 0.00 H new ATOM 0 HD2 LYS A 160 3.004 1.590 9.065 1.00 0.00 H new ATOM 0 HD3 LYS A 160 2.072 0.110 8.952 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.145 -0.778 9.450 1.00 0.00 H new ATOM 0 HE3 LYS A 160 4.228 -0.804 7.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 6.021 0.386 9.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 5.860 0.696 7.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 5.092 1.704 8.820 1.00 0.00 H new ATOM 588 N GLU A 161 0.057 -2.107 6.392 1.00 0.00 N ATOM 589 CA GLU A 161 0.258 -3.527 6.629 1.00 0.00 C ATOM 590 C GLU A 161 0.415 -4.235 5.288 1.00 0.00 C ATOM 591 O GLU A 161 1.214 -5.162 5.148 1.00 0.00 O ATOM 592 CB GLU A 161 -0.918 -4.105 7.434 1.00 0.00 C ATOM 593 CG GLU A 161 -1.565 -5.339 6.817 1.00 0.00 C ATOM 594 CD GLU A 161 -2.505 -6.044 7.775 1.00 0.00 C ATOM 595 OE1 GLU A 161 -2.358 -5.852 9.001 1.00 0.00 O ATOM 596 OE2 GLU A 161 -3.388 -6.790 7.301 1.00 0.00 O ATOM 0 H GLU A 161 -0.848 -1.751 6.700 1.00 0.00 H new ATOM 0 HA GLU A 161 1.163 -3.682 7.216 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -0.567 -4.357 8.435 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -1.678 -3.332 7.548 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -2.115 -5.048 5.922 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -0.787 -6.033 6.500 1.00 0.00 H new ATOM 603 N ASP A 162 -0.341 -3.767 4.298 1.00 0.00 N ATOM 604 CA ASP A 162 -0.279 -4.329 2.957 1.00 0.00 C ATOM 605 C ASP A 162 1.096 -4.071 2.356 1.00 0.00 C ATOM 606 O ASP A 162 1.732 -4.973 1.810 1.00 0.00 O ATOM 607 CB ASP A 162 -1.361 -3.713 2.071 1.00 0.00 C ATOM 608 CG ASP A 162 -2.692 -4.427 2.193 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.714 -5.669 2.064 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.713 -3.742 2.419 1.00 0.00 O ATOM 0 H ASP A 162 -1.004 -2.999 4.402 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.450 -5.404 3.016 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.490 -2.664 2.338 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -1.033 -3.739 1.032 1.00 0.00 H new ATOM 615 N ILE A 163 1.548 -2.828 2.476 1.00 0.00 N ATOM 616 CA ILE A 163 2.855 -2.425 1.964 1.00 0.00 C ATOM 617 C ILE A 163 3.947 -3.348 2.490 1.00 0.00 C ATOM 618 O ILE A 163 4.739 -3.894 1.722 1.00 0.00 O ATOM 619 CB ILE A 163 3.199 -0.977 2.372 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.083 -0.023 1.952 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.529 -0.547 1.762 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.863 0.007 0.462 1.00 0.00 C ATOM 0 H ILE A 163 1.026 -2.077 2.926 1.00 0.00 H new ATOM 0 HA ILE A 163 2.804 -2.489 0.877 1.00 0.00 H new ATOM 0 HB ILE A 163 3.293 -0.940 3.457 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.156 -0.318 2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.322 0.982 2.299 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.753 0.477 2.062 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.321 -1.209 2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.465 -0.601 0.675 1.00 0.00 H new ATOM 0 HD11 ILE A 163 1.058 0.703 0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.778 0.330 -0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.594 -0.990 0.114 1.00 0.00 H new ATOM 634 N ASP A 164 3.980 -3.518 3.808 1.00 0.00 N ATOM 635 CA ASP A 164 4.971 -4.374 4.442 1.00 0.00 C ATOM 636 C ASP A 164 4.865 -5.802 3.914 1.00 0.00 C ATOM 637 O ASP A 164 5.877 -6.458 3.660 1.00 0.00 O ATOM 638 CB ASP A 164 4.789 -4.364 5.960 1.00 0.00 C ATOM 639 CG ASP A 164 6.102 -4.522 6.702 1.00 0.00 C ATOM 640 OD1 ASP A 164 6.620 -5.657 6.754 1.00 0.00 O ATOM 641 OD2 ASP A 164 6.612 -3.511 7.228 1.00 0.00 O ATOM 0 H ASP A 164 3.330 -3.073 4.456 1.00 0.00 H new ATOM 0 HA ASP A 164 5.961 -3.986 4.202 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.316 -3.429 6.260 1.00 0.00 H new ATOM 0 HB3 ASP A 164 4.113 -5.170 6.247 1.00 0.00 H new ATOM 646 N ALA A 165 3.633 -6.274 3.750 1.00 0.00 N ATOM 647 CA ALA A 165 3.391 -7.622 3.247 1.00 0.00 C ATOM 648 C ALA A 165 3.914 -7.774 1.824 1.00 0.00 C ATOM 649 O ALA A 165 4.436 -8.824 1.452 1.00 0.00 O ATOM 650 CB ALA A 165 1.906 -7.946 3.303 1.00 0.00 C ATOM 0 H ALA A 165 2.787 -5.743 3.958 1.00 0.00 H new ATOM 0 HA ALA A 165 3.929 -8.325 3.883 1.00 0.00 H new ATOM 0 HB1 ALA A 165 1.739 -8.955 2.925 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.558 -7.883 4.334 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.355 -7.233 2.690 1.00 0.00 H new ATOM 656 N TRP A 166 3.778 -6.712 1.035 1.00 0.00 N ATOM 657 CA TRP A 166 4.240 -6.715 -0.342 1.00 0.00 C ATOM 658 C TRP A 166 5.738 -6.977 -0.399 1.00 0.00 C ATOM 659 O TRP A 166 6.195 -7.922 -1.041 1.00 0.00 O ATOM 660 CB TRP A 166 3.922 -5.368 -0.985 1.00 0.00 C ATOM 661 CG TRP A 166 4.189 -5.327 -2.454 1.00 0.00 C ATOM 662 CD1 TRP A 166 3.404 -5.822 -3.451 1.00 0.00 C ATOM 663 CD2 TRP A 166 5.329 -4.752 -3.088 1.00 0.00 C ATOM 664 NE1 TRP A 166 3.994 -5.588 -4.671 1.00 0.00 N ATOM 665 CE2 TRP A 166 5.176 -4.934 -4.472 1.00 0.00 C ATOM 666 CE3 TRP A 166 6.462 -4.101 -2.615 1.00 0.00 C ATOM 667 CZ2 TRP A 166 6.120 -4.486 -5.390 1.00 0.00 C ATOM 668 CZ3 TRP A 166 7.401 -3.654 -3.524 1.00 0.00 C ATOM 669 CH2 TRP A 166 7.224 -3.848 -4.900 1.00 0.00 C ATOM 0 H TRP A 166 3.349 -5.836 1.332 1.00 0.00 H new ATOM 0 HA TRP A 166 3.730 -7.509 -0.887 1.00 0.00 H new ATOM 0 HB2 TRP A 166 2.873 -5.129 -0.808 1.00 0.00 H new ATOM 0 HB3 TRP A 166 4.512 -4.593 -0.495 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.459 -6.324 -3.305 1.00 0.00 H new ATOM 0 HE1 TRP A 166 3.611 -5.859 -5.577 1.00 0.00 H new ATOM 0 HE3 TRP A 166 6.606 -3.947 -1.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 5.985 -4.637 -6.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 8.286 -3.147 -3.168 1.00 0.00 H new ATOM 0 HH2 TRP A 166 7.975 -3.486 -5.587 1.00 0.00 H new ATOM 680 N LEU A 167 6.493 -6.127 0.286 1.00 0.00 N ATOM 681 CA LEU A 167 7.948 -6.254 0.332 1.00 0.00 C ATOM 682 C LEU A 167 8.357 -7.630 0.847 1.00 0.00 C ATOM 683 O LEU A 167 9.388 -8.172 0.447 1.00 0.00 O ATOM 684 CB LEU A 167 8.546 -5.165 1.224 1.00 0.00 C ATOM 685 CG LEU A 167 8.271 -3.733 0.765 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.840 -2.863 1.936 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.496 -3.141 0.079 1.00 0.00 C ATOM 0 H LEU A 167 6.123 -5.340 0.819 1.00 0.00 H new ATOM 0 HA LEU A 167 8.331 -6.136 -0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.156 -5.288 2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.625 -5.313 1.279 1.00 0.00 H new ATOM 0 HG LEU A 167 7.455 -3.761 0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.650 -1.849 1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 167 6.930 -3.271 2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.630 -2.845 2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.278 -2.122 -0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.334 -3.132 0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 167 9.754 -3.745 -0.791 1.00 0.00 H new ATOM 699 N ALA A 168 7.544 -8.189 1.737 1.00 0.00 N ATOM 700 CA ALA A 168 7.821 -9.502 2.308 1.00 0.00 C ATOM 701 C ALA A 168 7.369 -10.619 1.372 1.00 0.00 C ATOM 702 O ALA A 168 7.892 -11.731 1.421 1.00 0.00 O ATOM 703 CB ALA A 168 7.143 -9.641 3.662 1.00 0.00 C ATOM 0 H ALA A 168 6.687 -7.753 2.079 1.00 0.00 H new ATOM 0 HA ALA A 168 8.899 -9.591 2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.358 -10.626 4.077 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.519 -8.873 4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.066 -9.525 3.543 1.00 0.00 H new