USER MOD reduce.3.24.130724 H: found=0, std=0, add=304, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 305 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0749 USER MOD Single : A 28 TYR OH : rot 0:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.154 X(o=0.15,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -148:sc= -2.07! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 75 N VAL A 6 -2.417 -13.202 -0.913 1.00 0.00 N ATOM 76 CA VAL A 6 -1.480 -12.232 -0.303 1.00 0.00 C ATOM 77 C VAL A 6 -1.613 -10.860 -0.957 1.00 0.00 C ATOM 78 O VAL A 6 -1.772 -9.857 -0.259 1.00 0.00 O ATOM 79 CB VAL A 6 -0.012 -12.701 -0.418 1.00 0.00 C ATOM 80 CG1 VAL A 6 1.015 -11.606 -0.085 1.00 0.00 C ATOM 81 CG2 VAL A 6 0.240 -13.881 0.526 1.00 0.00 C ATOM 0 HA VAL A 6 -1.745 -12.163 0.752 1.00 0.00 H new ATOM 0 HB VAL A 6 0.123 -12.983 -1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.023 -12.009 -0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.888 -10.768 -0.770 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.863 -11.264 0.939 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.277 -14.203 0.437 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.043 -13.574 1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.420 -14.707 0.261 1.00 0.00 H new ATOM 91 N LYS A 7 -1.602 -10.827 -2.295 1.00 0.00 N ATOM 92 CA LYS A 7 -1.805 -9.599 -3.059 1.00 0.00 C ATOM 93 C LYS A 7 -3.130 -8.935 -2.654 1.00 0.00 C ATOM 94 O LYS A 7 -3.128 -7.760 -2.319 1.00 0.00 O ATOM 95 CB LYS A 7 -1.772 -9.876 -4.580 1.00 0.00 C ATOM 96 CG LYS A 7 -0.801 -8.954 -5.338 1.00 0.00 C ATOM 97 CD LYS A 7 -1.151 -8.885 -6.833 1.00 0.00 C ATOM 98 CE LYS A 7 -0.046 -8.188 -7.641 1.00 0.00 C ATOM 99 NZ LYS A 7 0.027 -8.711 -9.023 1.00 0.00 N ATOM 0 H LYS A 7 -1.452 -11.653 -2.875 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.988 -8.915 -2.830 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.485 -10.914 -4.749 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.775 -9.752 -4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.835 -7.953 -4.907 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.219 -9.318 -5.217 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.304 -9.893 -7.218 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.091 -8.349 -6.963 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.234 -7.115 -7.667 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.914 -8.331 -7.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.783 -8.219 -9.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.231 -9.730 -8.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.882 -8.552 -9.503 1.00 0.00 H new ATOM 113 N ASP A 8 -4.228 -9.696 -2.586 1.00 0.00 N ATOM 114 CA ASP A 8 -5.569 -9.183 -2.266 1.00 0.00 C ATOM 115 C ASP A 8 -5.654 -8.547 -0.867 1.00 0.00 C ATOM 116 O ASP A 8 -6.307 -7.517 -0.702 1.00 0.00 O ATOM 117 CB ASP A 8 -6.633 -10.290 -2.442 1.00 0.00 C ATOM 118 CG ASP A 8 -7.759 -9.879 -3.416 1.00 0.00 C ATOM 119 OD1 ASP A 8 -8.752 -9.256 -2.967 1.00 0.00 O ATOM 120 OD2 ASP A 8 -7.661 -10.183 -4.629 1.00 0.00 O ATOM 0 H ASP A 8 -4.212 -10.702 -2.754 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.775 -8.382 -2.976 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.152 -11.196 -2.810 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -7.067 -10.530 -1.471 1.00 0.00 H new ATOM 125 N MET A 9 -4.968 -9.105 0.137 1.00 0.00 N ATOM 126 CA MET A 9 -4.923 -8.572 1.509 1.00 0.00 C ATOM 127 C MET A 9 -4.130 -7.252 1.620 1.00 0.00 C ATOM 128 O MET A 9 -4.668 -6.240 2.065 1.00 0.00 O ATOM 129 CB MET A 9 -4.318 -9.655 2.432 1.00 0.00 C ATOM 130 CG MET A 9 -5.259 -10.050 3.572 1.00 0.00 C ATOM 131 SD MET A 9 -4.648 -11.480 4.515 1.00 0.00 S ATOM 132 CE MET A 9 -4.272 -10.712 6.113 1.00 0.00 C ATOM 0 H MET A 9 -4.417 -9.956 0.019 1.00 0.00 H new ATOM 0 HA MET A 9 -5.941 -8.331 1.815 1.00 0.00 H new ATOM 0 HB2 MET A 9 -4.079 -10.539 1.841 1.00 0.00 H new ATOM 0 HB3 MET A 9 -3.381 -9.288 2.850 1.00 0.00 H new ATOM 0 HG2 MET A 9 -5.385 -9.202 4.245 1.00 0.00 H new ATOM 0 HG3 MET A 9 -6.243 -10.282 3.163 1.00 0.00 H new ATOM 0 HE1 MET A 9 -3.887 -11.467 6.798 1.00 0.00 H new ATOM 0 HE2 MET A 9 -3.523 -9.932 5.975 1.00 0.00 H new ATOM 0 HE3 MET A 9 -5.180 -10.274 6.529 1.00 0.00 H new ATOM 142 N GLU A 10 -2.871 -7.216 1.162 1.00 0.00 N ATOM 143 CA GLU A 10 -2.063 -5.976 1.022 1.00 0.00 C ATOM 144 C GLU A 10 -2.791 -4.887 0.204 1.00 0.00 C ATOM 145 O GLU A 10 -2.917 -3.744 0.608 1.00 0.00 O ATOM 146 CB GLU A 10 -0.726 -6.333 0.344 1.00 0.00 C ATOM 147 CG GLU A 10 0.525 -6.174 1.207 1.00 0.00 C ATOM 148 CD GLU A 10 0.498 -7.037 2.461 1.00 0.00 C ATOM 149 OE1 GLU A 10 0.625 -8.276 2.341 1.00 0.00 O ATOM 150 OE2 GLU A 10 0.406 -6.464 3.570 1.00 0.00 O ATOM 0 H GLU A 10 -2.369 -8.055 0.871 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.895 -5.566 2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.779 -7.367 0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.613 -5.710 -0.543 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.403 -6.431 0.615 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.630 -5.128 1.495 1.00 0.00 H new ATOM 157 N ILE A 11 -3.366 -5.324 -0.902 1.00 0.00 N ATOM 158 CA ILE A 11 -4.215 -4.472 -1.766 1.00 0.00 C ATOM 159 C ILE A 11 -5.364 -3.821 -0.947 1.00 0.00 C ATOM 160 O ILE A 11 -5.623 -2.621 -1.072 1.00 0.00 O ATOM 161 CB ILE A 11 -4.731 -5.187 -3.029 1.00 0.00 C ATOM 162 CG1 ILE A 11 -3.555 -5.369 -4.006 1.00 0.00 C ATOM 163 CG2 ILE A 11 -5.862 -4.402 -3.721 1.00 0.00 C ATOM 164 CD1 ILE A 11 -3.790 -6.484 -5.034 1.00 0.00 C ATOM 0 H ILE A 11 -3.267 -6.281 -1.241 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.572 -3.675 -2.139 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.142 -6.152 -2.732 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.379 -4.430 -4.532 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.651 -5.591 -3.439 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.193 -4.945 -4.606 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.699 -4.286 -3.032 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.495 -3.419 -4.015 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.924 -6.560 -5.692 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.937 -7.432 -4.516 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.676 -6.253 -5.625 1.00 0.00 H new ATOM 176 N ALA A 12 -6.000 -4.562 -0.033 1.00 0.00 N ATOM 177 CA ALA A 12 -6.996 -4.010 0.893 1.00 0.00 C ATOM 178 C ALA A 12 -6.404 -2.958 1.863 1.00 0.00 C ATOM 179 O ALA A 12 -7.051 -1.952 2.161 1.00 0.00 O ATOM 180 CB ALA A 12 -7.678 -5.151 1.659 1.00 0.00 C ATOM 0 H ALA A 12 -5.839 -5.562 0.086 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.739 -3.479 0.297 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.417 -4.738 2.346 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.172 -5.819 0.953 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.930 -5.708 2.223 1.00 0.00 H new ATOM 186 N ARG A 13 -5.152 -3.124 2.304 1.00 0.00 N ATOM 187 CA ARG A 13 -4.416 -2.120 3.085 1.00 0.00 C ATOM 188 C ARG A 13 -4.217 -0.774 2.346 1.00 0.00 C ATOM 189 O ARG A 13 -4.350 0.285 2.962 1.00 0.00 O ATOM 190 CB ARG A 13 -3.068 -2.697 3.579 1.00 0.00 C ATOM 191 CG ARG A 13 -3.174 -3.372 4.950 1.00 0.00 C ATOM 192 CD ARG A 13 -3.419 -2.363 6.083 1.00 0.00 C ATOM 193 NE ARG A 13 -4.241 -2.944 7.154 1.00 0.00 N ATOM 194 CZ ARG A 13 -3.831 -3.732 8.133 1.00 0.00 C ATOM 195 NH1 ARG A 13 -2.578 -4.076 8.277 1.00 0.00 N ATOM 196 NH2 ARG A 13 -4.692 -4.200 8.993 1.00 0.00 N ATOM 0 H ARG A 13 -4.613 -3.971 2.127 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.040 -1.886 3.948 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.700 -3.420 2.851 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.332 -1.894 3.631 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.986 -4.098 4.932 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.256 -3.925 5.152 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.464 -2.036 6.493 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.914 -1.478 5.683 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.235 -2.714 7.140 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.877 -3.734 7.620 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.302 -4.686 9.046 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.679 -3.958 8.909 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.378 -4.808 9.749 1.00 0.00 H new ATOM 210 N LEU A 14 -3.983 -0.785 1.028 1.00 0.00 N ATOM 211 CA LEU A 14 -3.911 0.426 0.188 1.00 0.00 C ATOM 212 C LEU A 14 -5.273 1.127 0.040 1.00 0.00 C ATOM 213 O LEU A 14 -5.353 2.352 -0.057 1.00 0.00 O ATOM 214 CB LEU A 14 -3.412 0.029 -1.212 1.00 0.00 C ATOM 215 CG LEU A 14 -1.921 -0.296 -1.370 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.123 0.984 -1.572 1.00 0.00 C ATOM 217 CD2 LEU A 14 -1.279 -1.145 -0.279 1.00 0.00 C ATOM 0 H LEU A 14 -3.835 -1.647 0.503 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.230 1.123 0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.982 -0.842 -1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.653 0.842 -1.897 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.887 -0.934 -2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.066 0.740 -1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.474 1.494 -2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.256 1.636 -0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.226 -1.301 -0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.367 -0.633 0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.785 -2.109 -0.223 1.00 0.00 H new ATOM 229 N MET A 15 -6.350 0.342 0.080 1.00 0.00 N ATOM 230 CA MET A 15 -7.702 0.904 0.141 1.00 0.00 C ATOM 231 C MET A 15 -7.946 1.644 1.478 1.00 0.00 C ATOM 232 O MET A 15 -8.520 2.730 1.502 1.00 0.00 O ATOM 233 CB MET A 15 -8.744 -0.197 -0.105 1.00 0.00 C ATOM 234 CG MET A 15 -9.949 0.391 -0.840 1.00 0.00 C ATOM 235 SD MET A 15 -11.393 -0.699 -0.918 1.00 0.00 S ATOM 236 CE MET A 15 -12.524 0.426 -1.777 1.00 0.00 C ATOM 0 H MET A 15 -6.315 -0.677 0.071 1.00 0.00 H new ATOM 0 HA MET A 15 -7.805 1.647 -0.650 1.00 0.00 H new ATOM 0 HB2 MET A 15 -8.304 -1.003 -0.693 1.00 0.00 H new ATOM 0 HB3 MET A 15 -9.060 -0.631 0.844 1.00 0.00 H new ATOM 0 HG2 MET A 15 -10.238 1.320 -0.350 1.00 0.00 H new ATOM 0 HG3 MET A 15 -9.648 0.647 -1.856 1.00 0.00 H new ATOM 0 HE1 MET A 15 -13.485 -0.066 -1.923 1.00 0.00 H new ATOM 0 HE2 MET A 15 -12.665 1.327 -1.180 1.00 0.00 H new ATOM 0 HE3 MET A 15 -12.103 0.695 -2.746 1.00 0.00 H new ATOM 246 N SER A 16 -7.451 1.067 2.578 1.00 0.00 N ATOM 247 CA SER A 16 -7.531 1.654 3.926 1.00 0.00 C ATOM 248 C SER A 16 -6.902 3.069 4.055 1.00 0.00 C ATOM 249 O SER A 16 -7.533 3.972 4.611 1.00 0.00 O ATOM 250 CB SER A 16 -6.915 0.696 4.960 1.00 0.00 C ATOM 251 OG SER A 16 -7.719 0.620 6.128 1.00 0.00 O ATOM 0 H SER A 16 -6.975 0.165 2.560 1.00 0.00 H new ATOM 0 HA SER A 16 -8.594 1.791 4.124 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.809 -0.297 4.523 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.914 1.037 5.225 1.00 0.00 H new ATOM 0 HG SER A 16 -7.307 0.004 6.769 1.00 0.00 H new ATOM 257 N LEU A 17 -5.693 3.305 3.515 1.00 0.00 N ATOM 258 CA LEU A 17 -5.093 4.660 3.408 1.00 0.00 C ATOM 259 C LEU A 17 -5.820 5.577 2.385 1.00 0.00 C ATOM 260 O LEU A 17 -5.908 6.796 2.554 1.00 0.00 O ATOM 261 CB LEU A 17 -3.607 4.525 3.019 1.00 0.00 C ATOM 262 CG LEU A 17 -2.650 4.146 4.167 1.00 0.00 C ATOM 263 CD1 LEU A 17 -1.218 4.091 3.645 1.00 0.00 C ATOM 264 CD2 LEU A 17 -2.635 5.168 5.297 1.00 0.00 C ATOM 0 H LEU A 17 -5.099 2.566 3.139 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.200 5.136 4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.522 3.772 2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.275 5.470 2.590 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.007 3.187 4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.544 3.823 4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.147 3.344 2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.938 5.067 3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.942 4.842 6.073 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.316 6.135 4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.636 5.258 5.719 1.00 0.00 H new ATOM 276 N GLY A 18 -6.346 4.937 1.342 1.00 0.00 N ATOM 277 CA GLY A 18 -7.254 5.519 0.343 1.00 0.00 C ATOM 278 C GLY A 18 -6.552 5.917 -0.954 1.00 0.00 C ATOM 279 O GLY A 18 -6.126 7.063 -1.124 1.00 0.00 O ATOM 0 H GLY A 18 -6.145 3.954 1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.041 4.800 0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.738 6.397 0.770 1.00 0.00 H new ATOM 283 N LEU A 19 -6.429 4.950 -1.860 1.00 0.00 N ATOM 284 CA LEU A 19 -5.730 5.048 -3.149 1.00 0.00 C ATOM 285 C LEU A 19 -6.694 4.708 -4.323 1.00 0.00 C ATOM 286 O LEU A 19 -7.915 4.823 -4.180 1.00 0.00 O ATOM 287 CB LEU A 19 -4.443 4.196 -3.014 1.00 0.00 C ATOM 288 CG LEU A 19 -3.366 4.959 -2.206 1.00 0.00 C ATOM 289 CD1 LEU A 19 -2.473 4.055 -1.372 1.00 0.00 C ATOM 290 CD2 LEU A 19 -2.455 5.741 -3.154 1.00 0.00 C ATOM 0 H LEU A 19 -6.834 4.026 -1.711 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.410 6.059 -3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.675 3.253 -2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.057 3.951 -4.004 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.919 5.614 -1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.743 4.660 -0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.082 3.501 -0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.952 3.355 -2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.700 6.275 -2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.965 5.050 -3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.049 6.456 -3.722 1.00 0.00 H new ATOM 302 N SER A 20 -6.163 4.355 -5.493 1.00 0.00 N ATOM 303 CA SER A 20 -6.922 3.924 -6.687 1.00 0.00 C ATOM 304 C SER A 20 -7.538 2.493 -6.565 1.00 0.00 C ATOM 305 O SER A 20 -8.127 2.125 -5.546 1.00 0.00 O ATOM 306 CB SER A 20 -6.031 4.072 -7.946 1.00 0.00 C ATOM 307 OG SER A 20 -5.351 5.318 -7.987 1.00 0.00 O ATOM 0 H SER A 20 -5.155 4.358 -5.651 1.00 0.00 H new ATOM 0 HA SER A 20 -7.786 4.582 -6.778 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.301 3.263 -7.968 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.648 3.969 -8.838 1.00 0.00 H new ATOM 0 HG SER A 20 -4.801 5.364 -8.797 1.00 0.00 H new ATOM 313 N ILE A 21 -7.316 1.681 -7.606 1.00 0.00 N ATOM 314 CA ILE A 21 -7.698 0.261 -7.754 1.00 0.00 C ATOM 315 C ILE A 21 -6.500 -0.472 -8.415 1.00 0.00 C ATOM 316 O ILE A 21 -5.458 -0.540 -7.781 1.00 0.00 O ATOM 317 CB ILE A 21 -9.045 0.113 -8.502 1.00 0.00 C ATOM 318 CG1 ILE A 21 -10.213 0.946 -7.903 1.00 0.00 C ATOM 319 CG2 ILE A 21 -9.500 -1.361 -8.494 1.00 0.00 C ATOM 320 CD1 ILE A 21 -10.780 1.970 -8.891 1.00 0.00 C ATOM 0 H ILE A 21 -6.827 2.021 -8.434 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.889 -0.208 -6.789 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.843 0.485 -9.506 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -11.010 0.272 -7.588 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.863 1.464 -7.010 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.449 -1.452 -9.023 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.748 -1.976 -8.988 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -9.625 -1.698 -7.465 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -11.592 2.522 -8.417 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -9.994 2.665 -9.186 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.158 1.454 -9.773 1.00 0.00 H new ATOM 332 N GLU A 22 -6.535 -0.895 -9.690 1.00 0.00 N ATOM 333 CA GLU A 22 -5.417 -1.577 -10.442 1.00 0.00 C ATOM 334 C GLU A 22 -4.090 -0.794 -10.562 1.00 0.00 C ATOM 335 O GLU A 22 -3.006 -1.350 -10.744 1.00 0.00 O ATOM 336 CB GLU A 22 -5.876 -1.929 -11.876 1.00 0.00 C ATOM 337 CG GLU A 22 -6.121 -3.418 -12.120 1.00 0.00 C ATOM 338 CD GLU A 22 -7.594 -3.777 -11.960 1.00 0.00 C ATOM 339 OE1 GLU A 22 -8.038 -3.989 -10.810 1.00 0.00 O ATOM 340 OE2 GLU A 22 -8.296 -3.868 -12.993 1.00 0.00 O ATOM 0 H GLU A 22 -7.368 -0.776 -10.267 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.202 -2.455 -9.833 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.794 -1.383 -12.093 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.122 -1.578 -12.581 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.788 -3.683 -13.124 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.525 -4.005 -11.421 1.00 0.00 H new ATOM 347 N GLU A 23 -4.243 0.509 -10.352 1.00 0.00 N ATOM 348 CA GLU A 23 -3.122 1.448 -10.190 1.00 0.00 C ATOM 349 C GLU A 23 -2.622 1.559 -8.766 1.00 0.00 C ATOM 350 O GLU A 23 -1.424 1.640 -8.554 1.00 0.00 O ATOM 351 CB GLU A 23 -3.444 2.822 -10.749 1.00 0.00 C ATOM 352 CG GLU A 23 -2.174 3.595 -11.108 1.00 0.00 C ATOM 353 CD GLU A 23 -1.400 2.955 -12.264 1.00 0.00 C ATOM 354 OE1 GLU A 23 -1.864 3.060 -13.422 1.00 0.00 O ATOM 355 OE2 GLU A 23 -0.314 2.383 -12.021 1.00 0.00 O ATOM 0 H GLU A 23 -5.158 0.955 -10.288 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.309 1.018 -10.775 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.070 2.717 -11.635 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.020 3.388 -10.017 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.439 4.618 -11.376 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.528 3.652 -10.232 1.00 0.00 H new ATOM 362 N ALA A 24 -3.523 1.491 -7.791 1.00 0.00 N ATOM 363 CA ALA A 24 -3.110 1.337 -6.397 1.00 0.00 C ATOM 364 C ALA A 24 -2.351 0.022 -6.215 1.00 0.00 C ATOM 365 O ALA A 24 -1.275 0.052 -5.630 1.00 0.00 O ATOM 366 CB ALA A 24 -4.292 1.383 -5.434 1.00 0.00 C ATOM 0 H ALA A 24 -4.532 1.539 -7.935 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.458 2.178 -6.161 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.933 1.264 -4.412 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.803 2.341 -5.530 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.986 0.577 -5.671 1.00 0.00 H new ATOM 372 N THR A 25 -2.817 -1.119 -6.747 1.00 0.00 N ATOM 373 CA THR A 25 -2.114 -2.400 -6.582 1.00 0.00 C ATOM 374 C THR A 25 -0.699 -2.380 -7.171 1.00 0.00 C ATOM 375 O THR A 25 0.283 -2.571 -6.450 1.00 0.00 O ATOM 376 CB THR A 25 -2.931 -3.600 -7.140 1.00 0.00 C ATOM 377 OG1 THR A 25 -2.780 -3.810 -8.526 1.00 0.00 O ATOM 378 CG2 THR A 25 -4.444 -3.470 -6.927 1.00 0.00 C ATOM 0 H THR A 25 -3.676 -1.180 -7.294 1.00 0.00 H new ATOM 0 HA THR A 25 -2.013 -2.542 -5.506 1.00 0.00 H new ATOM 0 HB THR A 25 -2.515 -4.431 -6.570 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.321 -4.580 -8.801 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.946 -4.344 -7.342 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.657 -3.402 -5.860 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.806 -2.572 -7.427 1.00 0.00 H new ATOM 386 N GLU A 26 -0.565 -2.044 -8.463 1.00 0.00 N ATOM 387 CA GLU A 26 0.756 -1.928 -9.113 1.00 0.00 C ATOM 388 C GLU A 26 1.665 -0.871 -8.475 1.00 0.00 C ATOM 389 O GLU A 26 2.874 -1.053 -8.455 1.00 0.00 O ATOM 390 CB GLU A 26 0.599 -1.619 -10.608 1.00 0.00 C ATOM 391 CG GLU A 26 1.704 -2.256 -11.452 1.00 0.00 C ATOM 392 CD GLU A 26 1.201 -3.523 -12.137 1.00 0.00 C ATOM 393 OE1 GLU A 26 0.988 -4.540 -11.440 1.00 0.00 O ATOM 394 OE2 GLU A 26 1.041 -3.500 -13.378 1.00 0.00 O ATOM 0 H GLU A 26 -1.353 -1.847 -9.081 1.00 0.00 H new ATOM 0 HA GLU A 26 1.237 -2.896 -8.973 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.371 -1.980 -10.951 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.608 -0.539 -10.756 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.050 -1.545 -12.202 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.559 -2.494 -10.820 1.00 0.00 H new ATOM 401 N PHE A 27 1.063 0.152 -7.872 1.00 0.00 N ATOM 402 CA PHE A 27 1.796 1.169 -7.100 1.00 0.00 C ATOM 403 C PHE A 27 2.276 0.657 -5.737 1.00 0.00 C ATOM 404 O PHE A 27 3.363 1.017 -5.303 1.00 0.00 O ATOM 405 CB PHE A 27 0.988 2.455 -6.914 1.00 0.00 C ATOM 406 CG PHE A 27 1.801 3.640 -6.426 1.00 0.00 C ATOM 407 CD1 PHE A 27 2.533 4.386 -7.372 1.00 0.00 C ATOM 408 CD2 PHE A 27 1.816 4.023 -5.067 1.00 0.00 C ATOM 409 CE1 PHE A 27 3.209 5.553 -6.982 1.00 0.00 C ATOM 410 CE2 PHE A 27 2.477 5.205 -4.686 1.00 0.00 C ATOM 411 CZ PHE A 27 3.163 5.975 -5.642 1.00 0.00 C ATOM 0 H PHE A 27 0.055 0.305 -7.901 1.00 0.00 H new ATOM 0 HA PHE A 27 2.677 1.397 -7.701 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.520 2.717 -7.863 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.183 2.265 -6.204 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.574 4.059 -8.400 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.323 3.412 -4.325 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.764 6.126 -7.711 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.457 5.523 -3.654 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.654 6.890 -5.347 1.00 0.00 H new ATOM 421 N TYR A 28 1.506 -0.207 -5.077 1.00 0.00 N ATOM 422 CA TYR A 28 1.843 -0.828 -3.800 1.00 0.00 C ATOM 423 C TYR A 28 3.076 -1.732 -3.898 1.00 0.00 C ATOM 424 O TYR A 28 4.025 -1.581 -3.125 1.00 0.00 O ATOM 425 CB TYR A 28 0.593 -1.590 -3.307 1.00 0.00 C ATOM 426 CG TYR A 28 0.702 -3.067 -3.004 1.00 0.00 C ATOM 427 CD1 TYR A 28 1.537 -3.466 -1.961 1.00 0.00 C ATOM 428 CD2 TYR A 28 -0.028 -4.038 -3.708 1.00 0.00 C ATOM 429 CE1 TYR A 28 1.731 -4.824 -1.676 1.00 0.00 C ATOM 430 CE2 TYR A 28 0.163 -5.401 -3.428 1.00 0.00 C ATOM 431 CZ TYR A 28 1.074 -5.799 -2.439 1.00 0.00 C ATOM 432 OH TYR A 28 1.292 -7.120 -2.192 1.00 0.00 O ATOM 0 H TYR A 28 0.597 -0.504 -5.432 1.00 0.00 H new ATOM 0 HA TYR A 28 2.118 -0.060 -3.077 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.242 -1.094 -2.402 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.185 -1.466 -4.060 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.040 -2.719 -1.365 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.737 -3.737 -4.465 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.386 -5.119 -0.869 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.394 -6.146 -3.977 1.00 0.00 H new ATOM 0 HH TYR A 28 1.931 -7.214 -1.455 1.00 0.00 H new ATOM 442 N GLU A 29 3.058 -2.661 -4.861 1.00 0.00 N ATOM 443 CA GLU A 29 4.164 -3.598 -5.118 1.00 0.00 C ATOM 444 C GLU A 29 5.415 -2.861 -5.587 1.00 0.00 C ATOM 445 O GLU A 29 6.484 -3.018 -5.000 1.00 0.00 O ATOM 446 CB GLU A 29 3.737 -4.650 -6.156 1.00 0.00 C ATOM 447 CG GLU A 29 3.169 -5.916 -5.516 1.00 0.00 C ATOM 448 CD GLU A 29 4.262 -6.941 -5.216 1.00 0.00 C ATOM 449 OE1 GLU A 29 5.259 -6.599 -4.543 1.00 0.00 O ATOM 450 OE2 GLU A 29 4.113 -8.102 -5.658 1.00 0.00 O ATOM 0 H GLU A 29 2.267 -2.787 -5.492 1.00 0.00 H new ATOM 0 HA GLU A 29 4.406 -4.103 -4.183 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.989 -4.216 -6.819 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.596 -4.914 -6.773 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.652 -5.656 -4.593 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.428 -6.359 -6.182 1.00 0.00 H new ATOM 457 N ASN A 30 5.256 -2.034 -6.627 1.00 0.00 N ATOM 458 CA ASN A 30 6.367 -1.243 -7.173 1.00 0.00 C ATOM 459 C ASN A 30 7.028 -0.404 -6.066 1.00 0.00 C ATOM 460 O ASN A 30 8.256 -0.430 -5.921 1.00 0.00 O ATOM 461 CB ASN A 30 5.928 -0.377 -8.366 1.00 0.00 C ATOM 462 CG ASN A 30 5.976 -1.160 -9.673 1.00 0.00 C ATOM 463 OD1 ASN A 30 6.803 -0.899 -10.538 1.00 0.00 O ATOM 464 ND2 ASN A 30 5.144 -2.167 -9.845 1.00 0.00 N ATOM 0 H ASN A 30 4.368 -1.895 -7.108 1.00 0.00 H new ATOM 0 HA ASN A 30 7.113 -1.938 -7.558 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.915 -0.010 -8.197 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.575 0.497 -8.440 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.190 -2.727 -10.697 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.454 -2.387 -9.127 1.00 0.00 H new ATOM 471 N ASP A 31 6.222 0.276 -5.240 1.00 0.00 N ATOM 472 CA ASP A 31 6.739 1.011 -4.081 1.00 0.00 C ATOM 473 C ASP A 31 7.441 0.143 -3.036 1.00 0.00 C ATOM 474 O ASP A 31 8.470 0.616 -2.557 1.00 0.00 O ATOM 475 CB ASP A 31 5.671 1.880 -3.383 1.00 0.00 C ATOM 476 CG ASP A 31 5.450 3.269 -4.033 1.00 0.00 C ATOM 477 OD1 ASP A 31 5.626 3.426 -5.266 1.00 0.00 O ATOM 478 OD2 ASP A 31 5.169 4.225 -3.270 1.00 0.00 O ATOM 0 H ASP A 31 5.210 0.332 -5.354 1.00 0.00 H new ATOM 0 HA ASP A 31 7.492 1.662 -4.525 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.725 1.339 -3.381 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.960 2.022 -2.341 1.00 0.00 H new ATOM 483 N VAL A 32 6.962 -1.061 -2.654 1.00 0.00 N ATOM 484 CA VAL A 32 7.505 -1.909 -1.553 1.00 0.00 C ATOM 485 C VAL A 32 6.583 -3.114 -1.177 1.00 0.00 C ATOM 486 O VAL A 32 6.689 -4.178 -1.785 1.00 0.00 O ATOM 487 CB VAL A 32 7.910 -1.123 -0.280 1.00 0.00 C ATOM 488 CG1 VAL A 32 6.737 -0.247 0.213 1.00 0.00 C ATOM 489 CG2 VAL A 32 8.486 -2.050 0.800 1.00 0.00 C ATOM 0 H VAL A 32 6.160 -1.490 -3.115 1.00 0.00 H new ATOM 0 HA VAL A 32 8.422 -2.312 -1.982 1.00 0.00 H new ATOM 0 HB VAL A 32 8.721 -0.440 -0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.040 0.297 1.107 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.460 0.462 -0.567 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.882 -0.882 0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.758 -1.462 1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.738 -2.792 1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.371 -2.554 0.412 1.00 0.00 H new ATOM 499 N THR A 33 5.704 -2.952 -0.171 1.00 0.00 N ATOM 500 CA THR A 33 4.884 -3.959 0.529 1.00 0.00 C ATOM 501 C THR A 33 3.751 -3.225 1.285 1.00 0.00 C ATOM 502 O THR A 33 2.638 -3.149 0.784 1.00 0.00 O ATOM 503 CB THR A 33 5.717 -4.762 1.560 1.00 0.00 C ATOM 504 OG1 THR A 33 6.833 -5.403 0.987 1.00 0.00 O ATOM 505 CG2 THR A 33 4.881 -5.804 2.316 1.00 0.00 C ATOM 0 H THR A 33 5.533 -2.021 0.210 1.00 0.00 H new ATOM 0 HA THR A 33 4.490 -4.655 -0.212 1.00 0.00 H new ATOM 0 HB THR A 33 6.071 -4.011 2.267 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.322 -5.892 1.682 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.516 -6.336 3.024 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.077 -5.304 2.855 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.456 -6.514 1.606 1.00 0.00 H new ATOM 513 N TYR A 34 4.003 -2.612 2.456 1.00 0.00 N ATOM 514 CA TYR A 34 2.997 -1.725 3.072 1.00 0.00 C ATOM 515 C TYR A 34 3.543 -0.532 3.880 1.00 0.00 C ATOM 516 O TYR A 34 3.375 0.607 3.447 1.00 0.00 O ATOM 517 CB TYR A 34 1.964 -2.554 3.845 1.00 0.00 C ATOM 518 CG TYR A 34 1.081 -1.753 4.780 1.00 0.00 C ATOM 519 CD1 TYR A 34 -0.020 -1.007 4.320 1.00 0.00 C ATOM 520 CD2 TYR A 34 1.403 -1.743 6.142 1.00 0.00 C ATOM 521 CE1 TYR A 34 -0.807 -0.272 5.229 1.00 0.00 C ATOM 522 CE2 TYR A 34 0.593 -1.047 7.058 1.00 0.00 C ATOM 523 CZ TYR A 34 -0.510 -0.310 6.600 1.00 0.00 C ATOM 524 OH TYR A 34 -1.313 0.332 7.495 1.00 0.00 O ATOM 0 H TYR A 34 4.870 -2.709 2.984 1.00 0.00 H new ATOM 0 HA TYR A 34 2.503 -1.224 2.239 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.331 -3.079 3.130 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.488 -3.314 4.424 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.262 -0.998 3.268 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.277 -2.272 6.492 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.637 0.319 4.871 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.820 -1.080 8.113 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.962 0.202 8.401 1.00 0.00 H new ATOM 534 N GLU A 35 4.201 -0.730 5.031 1.00 0.00 N ATOM 535 CA GLU A 35 4.546 0.410 5.924 1.00 0.00 C ATOM 536 C GLU A 35 5.542 1.392 5.307 1.00 0.00 C ATOM 537 O GLU A 35 5.357 2.600 5.410 1.00 0.00 O ATOM 538 CB GLU A 35 5.034 -0.039 7.307 1.00 0.00 C ATOM 539 CG GLU A 35 3.870 -0.452 8.210 1.00 0.00 C ATOM 540 CD GLU A 35 4.177 -0.123 9.664 1.00 0.00 C ATOM 541 OE1 GLU A 35 4.910 -0.902 10.312 1.00 0.00 O ATOM 542 OE2 GLU A 35 3.671 0.911 10.158 1.00 0.00 O ATOM 0 H GLU A 35 4.504 -1.643 5.369 1.00 0.00 H new ATOM 0 HA GLU A 35 3.603 0.942 6.054 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.723 -0.876 7.196 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.590 0.772 7.778 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.961 0.063 7.899 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.683 -1.521 8.105 1.00 0.00 H new ATOM 549 N ARG A 36 6.547 0.892 4.589 1.00 0.00 N ATOM 550 CA ARG A 36 7.443 1.717 3.759 1.00 0.00 C ATOM 551 C ARG A 36 6.689 2.689 2.806 1.00 0.00 C ATOM 552 O ARG A 36 6.941 3.891 2.808 1.00 0.00 O ATOM 553 CB ARG A 36 8.313 0.759 2.927 1.00 0.00 C ATOM 554 CG ARG A 36 9.633 0.280 3.546 1.00 0.00 C ATOM 555 CD ARG A 36 10.803 0.490 2.572 1.00 0.00 C ATOM 556 NE ARG A 36 11.459 1.786 2.814 1.00 0.00 N ATOM 557 CZ ARG A 36 12.739 1.983 3.087 1.00 0.00 C ATOM 558 NH1 ARG A 36 13.618 1.017 3.066 1.00 0.00 N ATOM 559 NH2 ARG A 36 13.164 3.176 3.399 1.00 0.00 N ATOM 0 H ARG A 36 6.769 -0.103 4.562 1.00 0.00 H new ATOM 0 HA ARG A 36 8.036 2.345 4.423 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.714 -0.120 2.691 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.544 1.250 1.982 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.823 0.823 4.472 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.556 -0.776 3.806 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.527 -0.316 2.687 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.439 0.447 1.545 1.00 0.00 H new ATOM 0 HE ARG A 36 10.867 2.615 2.766 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.327 0.068 2.833 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.595 1.212 3.283 1.00 0.00 H new ATOM 0 HH21 ARG A 36 12.510 3.958 3.433 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.151 3.327 3.609 1.00 0.00 H new ATOM 573 N TYR A 37 5.779 2.130 1.997 1.00 0.00 N ATOM 574 CA TYR A 37 5.006 2.931 1.033 1.00 0.00 C ATOM 575 C TYR A 37 4.145 3.951 1.781 1.00 0.00 C ATOM 576 O TYR A 37 4.025 5.082 1.326 1.00 0.00 O ATOM 577 CB TYR A 37 4.177 2.192 -0.022 1.00 0.00 C ATOM 578 CG TYR A 37 2.710 1.993 0.285 1.00 0.00 C ATOM 579 CD1 TYR A 37 1.797 3.069 0.300 1.00 0.00 C ATOM 580 CD2 TYR A 37 2.273 0.716 0.643 1.00 0.00 C ATOM 581 CE1 TYR A 37 0.509 2.887 0.813 1.00 0.00 C ATOM 582 CE2 TYR A 37 1.000 0.553 1.202 1.00 0.00 C ATOM 583 CZ TYR A 37 0.132 1.645 1.336 1.00 0.00 C ATOM 584 OH TYR A 37 -1.085 1.501 1.926 1.00 0.00 O ATOM 0 H TYR A 37 5.560 1.134 1.989 1.00 0.00 H new ATOM 0 HA TYR A 37 5.776 3.410 0.428 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.257 2.738 -0.962 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.627 1.212 -0.184 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.093 4.034 -0.085 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.913 -0.140 0.490 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.195 3.706 0.806 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.683 -0.425 1.534 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.025 0.833 2.641 1.00 0.00 H new ATOM 594 N LEU A 38 3.574 3.573 2.929 1.00 0.00 N ATOM 595 CA LEU A 38 2.791 4.466 3.777 1.00 0.00 C ATOM 596 C LEU A 38 3.634 5.668 4.240 1.00 0.00 C ATOM 597 O LEU A 38 3.180 6.799 4.098 1.00 0.00 O ATOM 598 CB LEU A 38 2.178 3.633 4.920 1.00 0.00 C ATOM 599 CG LEU A 38 1.548 4.420 6.088 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.628 3.496 6.887 1.00 0.00 C ATOM 601 CD2 LEU A 38 2.597 4.988 7.056 1.00 0.00 C ATOM 0 H LEU A 38 3.646 2.624 3.297 1.00 0.00 H new ATOM 0 HA LEU A 38 1.966 4.913 3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.413 2.983 4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.956 2.986 5.326 1.00 0.00 H new ATOM 0 HG LEU A 38 1.001 5.252 5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.182 4.051 7.712 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.161 3.117 6.237 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.206 2.660 7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.096 5.532 7.857 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.180 4.171 7.481 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.260 5.665 6.518 1.00 0.00 H new ATOM 613 N GLU A 39 4.867 5.456 4.724 1.00 0.00 N ATOM 614 CA GLU A 39 5.827 6.526 5.078 1.00 0.00 C ATOM 615 C GLU A 39 6.165 7.421 3.883 1.00 0.00 C ATOM 616 O GLU A 39 5.977 8.634 3.952 1.00 0.00 O ATOM 617 CB GLU A 39 7.113 5.910 5.670 1.00 0.00 C ATOM 618 CG GLU A 39 7.055 5.850 7.195 1.00 0.00 C ATOM 619 CD GLU A 39 8.290 5.144 7.744 1.00 0.00 C ATOM 620 OE1 GLU A 39 8.294 3.893 7.796 1.00 0.00 O ATOM 621 OE2 GLU A 39 9.248 5.844 8.142 1.00 0.00 O ATOM 0 H GLU A 39 5.237 4.519 4.885 1.00 0.00 H new ATOM 0 HA GLU A 39 5.350 7.158 5.827 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.254 4.906 5.271 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.976 6.500 5.361 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.993 6.859 7.603 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.155 5.322 7.511 1.00 0.00 H new ATOM 628 N ILE A 40 6.627 6.823 2.785 1.00 0.00 N ATOM 629 CA ILE A 40 6.983 7.545 1.548 1.00 0.00 C ATOM 630 C ILE A 40 5.810 8.415 1.017 1.00 0.00 C ATOM 631 O ILE A 40 6.000 9.597 0.714 1.00 0.00 O ATOM 632 CB ILE A 40 7.518 6.558 0.478 1.00 0.00 C ATOM 633 CG1 ILE A 40 8.822 5.845 0.921 1.00 0.00 C ATOM 634 CG2 ILE A 40 7.802 7.317 -0.835 1.00 0.00 C ATOM 635 CD1 ILE A 40 9.079 4.528 0.166 1.00 0.00 C ATOM 0 H ILE A 40 6.769 5.815 2.721 1.00 0.00 H new ATOM 0 HA ILE A 40 7.786 8.243 1.787 1.00 0.00 H new ATOM 0 HB ILE A 40 6.747 5.800 0.337 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.667 6.516 0.765 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.771 5.639 1.990 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.178 6.620 -1.584 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.882 7.777 -1.196 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.547 8.091 -0.654 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.006 4.079 0.523 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.252 3.840 0.342 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.161 4.731 -0.902 1.00 0.00 H new ATOM 647 N LEU A 41 4.588 7.876 0.957 1.00 0.00 N ATOM 648 CA LEU A 41 3.370 8.596 0.557 1.00 0.00 C ATOM 649 C LEU A 41 2.988 9.714 1.536 1.00 0.00 C ATOM 650 O LEU A 41 2.617 10.804 1.108 1.00 0.00 O ATOM 651 CB LEU A 41 2.166 7.636 0.450 1.00 0.00 C ATOM 652 CG LEU A 41 1.903 7.005 -0.927 1.00 0.00 C ATOM 653 CD1 LEU A 41 0.566 6.270 -0.857 1.00 0.00 C ATOM 654 CD2 LEU A 41 1.776 8.052 -2.038 1.00 0.00 C ATOM 0 H LEU A 41 4.412 6.899 1.192 1.00 0.00 H new ATOM 0 HA LEU A 41 3.601 9.038 -0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.308 6.831 1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.270 8.179 0.751 1.00 0.00 H new ATOM 0 HG LEU A 41 2.744 6.351 -1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.352 5.811 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.616 5.497 -0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.225 6.977 -0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.591 7.553 -2.989 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.947 8.723 -1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.700 8.627 -2.104 1.00 0.00 H new ATOM 666 N LYS A 42 3.075 9.458 2.842 1.00 0.00 N ATOM 667 CA LYS A 42 2.812 10.463 3.872 1.00 0.00 C ATOM 668 C LYS A 42 3.744 11.686 3.695 1.00 0.00 C ATOM 669 O LYS A 42 3.281 12.828 3.703 1.00 0.00 O ATOM 670 CB LYS A 42 2.947 9.821 5.262 1.00 0.00 C ATOM 671 CG LYS A 42 2.380 10.723 6.369 1.00 0.00 C ATOM 672 CD LYS A 42 2.981 10.390 7.748 1.00 0.00 C ATOM 673 CE LYS A 42 3.296 11.687 8.508 1.00 0.00 C ATOM 674 NZ LYS A 42 4.494 11.555 9.365 1.00 0.00 N ATOM 0 H LYS A 42 3.331 8.544 3.216 1.00 0.00 H new ATOM 0 HA LYS A 42 1.791 10.832 3.771 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.426 8.864 5.272 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.998 9.614 5.465 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.584 11.766 6.127 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.297 10.611 6.409 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.281 9.783 8.322 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.889 9.800 7.626 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.449 12.496 7.794 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.440 11.963 9.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.669 12.454 9.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.339 10.801 10.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.318 11.318 8.776 1.00 0.00 H new