USER MOD reduce.3.24.130724 H: found=0, std=0, add=297, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 298 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 13 THR OG1 : rot -70:sc= -3.92! USER MOD Single : A 14 SER OG : rot 180:sc=-0.000617 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 141:sc= -0.153 (180deg=-0.915) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N LEU A 3 21.478 -4.588 13.345 1.00 0.00 N ATOM 37 CA LEU A 3 20.939 -4.361 12.004 1.00 0.00 C ATOM 38 C LEU A 3 21.312 -2.979 11.458 1.00 0.00 C ATOM 39 O LEU A 3 21.382 -2.787 10.245 1.00 0.00 O ATOM 40 CB LEU A 3 19.415 -4.505 12.040 1.00 0.00 C ATOM 41 CG LEU A 3 18.851 -4.468 10.617 1.00 0.00 C ATOM 42 CD1 LEU A 3 19.263 -5.737 9.869 1.00 0.00 C ATOM 43 CD2 LEU A 3 17.324 -4.391 10.680 1.00 0.00 C ATOM 0 HA LEU A 3 21.376 -5.105 11.338 1.00 0.00 H new ATOM 0 HB2 LEU A 3 19.142 -5.443 12.524 1.00 0.00 H new ATOM 0 HB3 LEU A 3 18.980 -3.701 12.633 1.00 0.00 H new ATOM 0 HG LEU A 3 19.242 -3.595 10.094 1.00 0.00 H new ATOM 0 HD11 LEU A 3 18.861 -5.709 8.856 1.00 0.00 H new ATOM 0 HD12 LEU A 3 20.350 -5.797 9.826 1.00 0.00 H new ATOM 0 HD13 LEU A 3 18.872 -6.610 10.391 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.919 -4.364 9.668 1.00 0.00 H new ATOM 0 HD22 LEU A 3 16.937 -5.265 11.203 1.00 0.00 H new ATOM 0 HD23 LEU A 3 17.027 -3.488 11.214 1.00 0.00 H new ATOM 55 N LEU A 4 21.555 -2.015 12.346 1.00 0.00 N ATOM 56 CA LEU A 4 21.886 -0.656 11.920 1.00 0.00 C ATOM 57 C LEU A 4 23.119 -0.621 11.014 1.00 0.00 C ATOM 58 O LEU A 4 23.271 0.297 10.207 1.00 0.00 O ATOM 59 CB LEU A 4 22.138 0.225 13.148 1.00 0.00 C ATOM 60 CG LEU A 4 20.910 0.220 14.061 1.00 0.00 C ATOM 61 CD1 LEU A 4 21.216 1.021 15.328 1.00 0.00 C ATOM 62 CD2 LEU A 4 19.724 0.863 13.338 1.00 0.00 C ATOM 0 H LEU A 4 21.529 -2.148 13.357 1.00 0.00 H new ATOM 0 HA LEU A 4 21.038 -0.278 11.349 1.00 0.00 H new ATOM 0 HB2 LEU A 4 23.008 -0.139 13.694 1.00 0.00 H new ATOM 0 HB3 LEU A 4 22.363 1.244 12.834 1.00 0.00 H new ATOM 0 HG LEU A 4 20.663 -0.809 14.323 1.00 0.00 H new ATOM 0 HD11 LEU A 4 20.342 1.019 15.980 1.00 0.00 H new ATOM 0 HD12 LEU A 4 22.059 0.568 15.850 1.00 0.00 H new ATOM 0 HD13 LEU A 4 21.465 2.047 15.058 1.00 0.00 H new ATOM 0 HD21 LEU A 4 18.852 0.857 13.992 1.00 0.00 H new ATOM 0 HD22 LEU A 4 19.973 1.891 13.074 1.00 0.00 H new ATOM 0 HD23 LEU A 4 19.501 0.300 12.432 1.00 0.00 H new ATOM 74 N GLU A 5 23.998 -1.613 11.141 1.00 0.00 N ATOM 75 CA GLU A 5 25.216 -1.655 10.330 1.00 0.00 C ATOM 76 C GLU A 5 25.000 -2.339 8.973 1.00 0.00 C ATOM 77 O GLU A 5 25.807 -2.165 8.061 1.00 0.00 O ATOM 78 CB GLU A 5 26.316 -2.389 11.096 1.00 0.00 C ATOM 79 CG GLU A 5 26.652 -1.612 12.375 1.00 0.00 C ATOM 80 CD GLU A 5 27.809 -2.257 13.145 1.00 0.00 C ATOM 81 OE1 GLU A 5 28.201 -3.367 12.816 1.00 0.00 O ATOM 82 OE2 GLU A 5 28.292 -1.622 14.068 1.00 0.00 O ATOM 0 H GLU A 5 23.893 -2.392 11.791 1.00 0.00 H new ATOM 0 HA GLU A 5 25.507 -0.623 10.133 1.00 0.00 H new ATOM 0 HB2 GLU A 5 25.989 -3.398 11.346 1.00 0.00 H new ATOM 0 HB3 GLU A 5 27.205 -2.487 10.473 1.00 0.00 H new ATOM 0 HG2 GLU A 5 26.914 -0.585 12.119 1.00 0.00 H new ATOM 0 HG3 GLU A 5 25.771 -1.566 13.015 1.00 0.00 H new ATOM 89 N GLY A 6 23.923 -3.111 8.833 1.00 0.00 N ATOM 90 CA GLY A 6 23.603 -3.739 7.551 1.00 0.00 C ATOM 91 C GLY A 6 22.624 -2.921 6.696 1.00 0.00 C ATOM 92 O GLY A 6 22.223 -3.377 5.625 1.00 0.00 O ATOM 0 H GLY A 6 23.263 -3.316 9.583 1.00 0.00 H new ATOM 0 HA2 GLY A 6 24.525 -3.890 6.989 1.00 0.00 H new ATOM 0 HA3 GLY A 6 23.176 -4.725 7.735 1.00 0.00 H new ATOM 96 N GLU A 7 22.234 -1.726 7.147 1.00 0.00 N ATOM 97 CA GLU A 7 21.269 -0.915 6.413 1.00 0.00 C ATOM 98 C GLU A 7 21.987 -0.051 5.381 1.00 0.00 C ATOM 99 O GLU A 7 23.137 0.342 5.579 1.00 0.00 O ATOM 100 CB GLU A 7 20.493 -0.031 7.393 1.00 0.00 C ATOM 101 CG GLU A 7 19.328 0.663 6.673 1.00 0.00 C ATOM 102 CD GLU A 7 18.566 1.614 7.603 1.00 0.00 C ATOM 103 OE1 GLU A 7 18.946 1.758 8.756 1.00 0.00 O ATOM 104 OE2 GLU A 7 17.599 2.193 7.139 1.00 0.00 O ATOM 0 H GLU A 7 22.571 -1.304 8.012 1.00 0.00 H new ATOM 0 HA GLU A 7 20.571 -1.571 5.892 1.00 0.00 H new ATOM 0 HB2 GLU A 7 20.113 -0.635 8.217 1.00 0.00 H new ATOM 0 HB3 GLU A 7 21.159 0.715 7.826 1.00 0.00 H new ATOM 0 HG2 GLU A 7 19.710 1.220 5.818 1.00 0.00 H new ATOM 0 HG3 GLU A 7 18.643 -0.089 6.283 1.00 0.00 H new ATOM 111 N ILE A 8 21.302 0.245 4.280 1.00 0.00 N ATOM 112 CA ILE A 8 21.897 1.039 3.211 1.00 0.00 C ATOM 113 C ILE A 8 21.857 2.526 3.585 1.00 0.00 C ATOM 114 O ILE A 8 20.876 2.963 4.191 1.00 0.00 O ATOM 115 CB ILE A 8 21.131 0.815 1.900 1.00 0.00 C ATOM 116 CG1 ILE A 8 21.120 -0.677 1.555 1.00 0.00 C ATOM 117 CG2 ILE A 8 21.807 1.584 0.763 1.00 0.00 C ATOM 118 CD1 ILE A 8 20.203 -0.918 0.354 1.00 0.00 C ATOM 0 H ILE A 8 20.341 -0.051 4.106 1.00 0.00 H new ATOM 0 HA ILE A 8 22.933 0.729 3.075 1.00 0.00 H new ATOM 0 HB ILE A 8 20.109 1.172 2.025 1.00 0.00 H new ATOM 0 HG12 ILE A 8 22.131 -1.016 1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 8 20.775 -1.256 2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 8 21.258 1.420 -0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 8 21.814 2.648 0.997 1.00 0.00 H new ATOM 0 HG23 ILE A 8 22.832 1.232 0.645 1.00 0.00 H new ATOM 0 HD11 ILE A 8 20.196 -1.980 0.109 1.00 0.00 H new ATOM 0 HD12 ILE A 8 19.191 -0.595 0.598 1.00 0.00 H new ATOM 0 HD13 ILE A 8 20.568 -0.351 -0.502 1.00 0.00 H new ATOM 130 N PRO A 9 22.864 3.314 3.256 1.00 0.00 N ATOM 131 CA PRO A 9 22.848 4.773 3.588 1.00 0.00 C ATOM 132 C PRO A 9 21.755 5.511 2.820 1.00 0.00 C ATOM 133 O PRO A 9 21.421 5.147 1.692 1.00 0.00 O ATOM 134 CB PRO A 9 24.242 5.293 3.202 1.00 0.00 C ATOM 135 CG PRO A 9 25.072 4.095 2.891 1.00 0.00 C ATOM 136 CD PRO A 9 24.114 2.955 2.559 1.00 0.00 C ATOM 0 HA PRO A 9 22.630 4.939 4.643 1.00 0.00 H new ATOM 0 HB2 PRO A 9 24.183 5.958 2.340 1.00 0.00 H new ATOM 0 HB3 PRO A 9 24.681 5.867 4.018 1.00 0.00 H new ATOM 0 HG2 PRO A 9 25.737 4.295 2.051 1.00 0.00 H new ATOM 0 HG3 PRO A 9 25.702 3.833 3.741 1.00 0.00 H new ATOM 0 HD2 PRO A 9 23.959 2.867 1.484 1.00 0.00 H new ATOM 0 HD3 PRO A 9 24.501 1.997 2.905 1.00 0.00 H new ATOM 144 N PHE A 10 21.199 6.550 3.437 1.00 0.00 N ATOM 145 CA PHE A 10 20.106 7.297 2.825 1.00 0.00 C ATOM 146 C PHE A 10 20.509 7.812 1.438 1.00 0.00 C ATOM 147 O PHE A 10 21.676 8.155 1.236 1.00 0.00 O ATOM 148 CB PHE A 10 19.721 8.479 3.717 1.00 0.00 C ATOM 149 CG PHE A 10 19.384 8.078 5.134 1.00 0.00 C ATOM 150 CD1 PHE A 10 18.263 7.279 5.389 1.00 0.00 C ATOM 151 CD2 PHE A 10 20.194 8.506 6.193 1.00 0.00 C ATOM 152 CE1 PHE A 10 17.953 6.908 6.702 1.00 0.00 C ATOM 153 CE2 PHE A 10 19.883 8.134 7.506 1.00 0.00 C ATOM 154 CZ PHE A 10 18.762 7.336 7.761 1.00 0.00 C ATOM 0 H PHE A 10 21.485 6.892 4.354 1.00 0.00 H new ATOM 0 HA PHE A 10 19.253 6.628 2.715 1.00 0.00 H new ATOM 0 HB2 PHE A 10 20.544 9.193 3.736 1.00 0.00 H new ATOM 0 HB3 PHE A 10 18.864 8.991 3.279 1.00 0.00 H new ATOM 0 HD1 PHE A 10 17.638 6.949 4.573 1.00 0.00 H new ATOM 0 HD2 PHE A 10 21.058 9.123 5.997 1.00 0.00 H new ATOM 0 HE1 PHE A 10 17.089 6.291 6.899 1.00 0.00 H new ATOM 0 HE2 PHE A 10 20.508 8.463 8.323 1.00 0.00 H new ATOM 0 HZ PHE A 10 18.521 7.051 8.774 1.00 0.00 H new ATOM 164 N PRO A 11 19.599 7.882 0.486 1.00 0.00 N ATOM 165 CA PRO A 11 19.967 8.274 -0.913 1.00 0.00 C ATOM 166 C PRO A 11 20.670 9.636 -1.091 1.00 0.00 C ATOM 167 O PRO A 11 21.442 9.751 -2.047 1.00 0.00 O ATOM 168 CB PRO A 11 18.645 8.230 -1.695 1.00 0.00 C ATOM 169 CG PRO A 11 17.551 8.203 -0.682 1.00 0.00 C ATOM 170 CD PRO A 11 18.147 7.632 0.601 1.00 0.00 C ATOM 0 HA PRO A 11 20.727 7.581 -1.274 1.00 0.00 H new ATOM 0 HB2 PRO A 11 18.550 9.100 -2.345 1.00 0.00 H new ATOM 0 HB3 PRO A 11 18.602 7.348 -2.335 1.00 0.00 H new ATOM 0 HG2 PRO A 11 17.158 9.205 -0.512 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.720 7.589 -1.028 1.00 0.00 H new ATOM 0 HD2 PRO A 11 17.730 8.120 1.482 1.00 0.00 H new ATOM 0 HD3 PRO A 11 17.935 6.567 0.696 1.00 0.00 H new ATOM 178 N PRO A 12 20.465 10.655 -0.264 1.00 0.00 N ATOM 179 CA PRO A 12 21.199 11.951 -0.450 1.00 0.00 C ATOM 180 C PRO A 12 22.715 11.770 -0.448 1.00 0.00 C ATOM 181 O PRO A 12 23.253 11.014 0.362 1.00 0.00 O ATOM 182 CB PRO A 12 20.764 12.818 0.732 1.00 0.00 C ATOM 183 CG PRO A 12 19.443 12.272 1.146 1.00 0.00 C ATOM 184 CD PRO A 12 19.491 10.777 0.841 1.00 0.00 C ATOM 0 HA PRO A 12 20.963 12.397 -1.416 1.00 0.00 H new ATOM 0 HB2 PRO A 12 21.486 12.765 1.547 1.00 0.00 H new ATOM 0 HB3 PRO A 12 20.685 13.866 0.444 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.263 12.448 2.207 1.00 0.00 H new ATOM 0 HG3 PRO A 12 18.633 12.756 0.601 1.00 0.00 H new ATOM 0 HD2 PRO A 12 19.806 10.204 1.713 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.511 10.400 0.549 1.00 0.00 H new ATOM 192 N THR A 13 23.380 12.535 -1.317 1.00 0.00 N ATOM 193 CA THR A 13 24.840 12.516 -1.482 1.00 0.00 C ATOM 194 C THR A 13 25.464 11.123 -1.341 1.00 0.00 C ATOM 195 O THR A 13 26.649 11.000 -1.010 1.00 0.00 O ATOM 196 CB THR A 13 25.473 13.477 -0.467 1.00 0.00 C ATOM 197 OG1 THR A 13 26.887 13.450 -0.598 1.00 0.00 O ATOM 198 CG2 THR A 13 25.089 13.072 0.957 1.00 0.00 C ATOM 0 H THR A 13 22.914 13.197 -1.937 1.00 0.00 H new ATOM 0 HA THR A 13 25.045 12.834 -2.504 1.00 0.00 H new ATOM 0 HB THR A 13 25.106 14.484 -0.663 1.00 0.00 H new ATOM 0 HG1 THR A 13 27.228 12.588 -0.281 1.00 0.00 H new ATOM 0 HG21 THR A 13 25.545 13.762 1.667 1.00 0.00 H new ATOM 0 HG22 THR A 13 24.005 13.104 1.065 1.00 0.00 H new ATOM 0 HG23 THR A 13 25.443 12.061 1.156 1.00 0.00 H new ATOM 206 N SER A 14 24.694 10.072 -1.622 1.00 0.00 N ATOM 207 CA SER A 14 25.212 8.719 -1.469 1.00 0.00 C ATOM 208 C SER A 14 26.426 8.490 -2.366 1.00 0.00 C ATOM 209 O SER A 14 27.369 7.799 -1.973 1.00 0.00 O ATOM 210 CB SER A 14 24.121 7.703 -1.813 1.00 0.00 C ATOM 211 OG SER A 14 23.836 7.778 -3.204 1.00 0.00 O ATOM 0 H SER A 14 23.730 10.131 -1.950 1.00 0.00 H new ATOM 0 HA SER A 14 25.521 8.589 -0.432 1.00 0.00 H new ATOM 0 HB2 SER A 14 24.448 6.697 -1.550 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.221 7.907 -1.233 1.00 0.00 H new ATOM 0 HG SER A 14 23.139 7.128 -3.431 1.00 0.00 H new ATOM 217 N ILE A 15 26.418 9.086 -3.560 1.00 0.00 N ATOM 218 CA ILE A 15 27.534 8.886 -4.481 1.00 0.00 C ATOM 219 C ILE A 15 28.841 9.379 -3.857 1.00 0.00 C ATOM 220 O ILE A 15 29.890 8.749 -4.017 1.00 0.00 O ATOM 221 CB ILE A 15 27.267 9.628 -5.799 1.00 0.00 C ATOM 222 CG1 ILE A 15 25.948 9.138 -6.406 1.00 0.00 C ATOM 223 CG2 ILE A 15 28.401 9.353 -6.794 1.00 0.00 C ATOM 224 CD1 ILE A 15 25.593 9.989 -7.626 1.00 0.00 C ATOM 0 H ILE A 15 25.674 9.693 -3.903 1.00 0.00 H new ATOM 0 HA ILE A 15 27.629 7.819 -4.685 1.00 0.00 H new ATOM 0 HB ILE A 15 27.210 10.697 -5.596 1.00 0.00 H new ATOM 0 HG12 ILE A 15 26.037 8.091 -6.695 1.00 0.00 H new ATOM 0 HG13 ILE A 15 25.151 9.198 -5.665 1.00 0.00 H new ATOM 0 HG21 ILE A 15 28.204 9.883 -7.726 1.00 0.00 H new ATOM 0 HG22 ILE A 15 29.346 9.698 -6.373 1.00 0.00 H new ATOM 0 HG23 ILE A 15 28.461 8.283 -6.991 1.00 0.00 H new ATOM 0 HD11 ILE A 15 24.655 9.637 -8.054 1.00 0.00 H new ATOM 0 HD12 ILE A 15 25.486 11.031 -7.324 1.00 0.00 H new ATOM 0 HD13 ILE A 15 26.385 9.906 -8.370 1.00 0.00 H new ATOM 236 N LEU A 16 28.773 10.486 -3.114 1.00 0.00 N ATOM 237 CA LEU A 16 29.957 10.963 -2.406 1.00 0.00 C ATOM 238 C LEU A 16 30.440 9.940 -1.383 1.00 0.00 C ATOM 239 O LEU A 16 31.646 9.784 -1.178 1.00 0.00 O ATOM 240 CB LEU A 16 29.675 12.307 -1.731 1.00 0.00 C ATOM 241 CG LEU A 16 29.560 13.403 -2.797 1.00 0.00 C ATOM 242 CD1 LEU A 16 28.971 14.679 -2.180 1.00 0.00 C ATOM 243 CD2 LEU A 16 30.952 13.701 -3.365 1.00 0.00 C ATOM 0 H LEU A 16 27.935 11.054 -2.990 1.00 0.00 H new ATOM 0 HA LEU A 16 30.751 11.102 -3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 16 28.752 12.249 -1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 16 30.475 12.549 -1.031 1.00 0.00 H new ATOM 0 HG LEU A 16 28.901 13.061 -3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 16 28.894 15.451 -2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 16 27.980 14.465 -1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 16 29.620 15.028 -1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 16 30.876 14.480 -4.124 1.00 0.00 H new ATOM 0 HD22 LEU A 16 31.608 14.039 -2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 16 31.363 12.797 -3.813 1.00 0.00 H new ATOM 255 N LEU A 17 29.504 9.219 -0.759 1.00 0.00 N ATOM 256 CA LEU A 17 29.901 8.160 0.165 1.00 0.00 C ATOM 257 C LEU A 17 30.733 7.097 -0.549 1.00 0.00 C ATOM 258 O LEU A 17 31.677 6.548 0.024 1.00 0.00 O ATOM 259 CB LEU A 17 28.667 7.511 0.796 1.00 0.00 C ATOM 260 CG LEU A 17 29.108 6.537 1.891 1.00 0.00 C ATOM 261 CD1 LEU A 17 29.668 7.318 3.081 1.00 0.00 C ATOM 262 CD2 LEU A 17 27.904 5.712 2.350 1.00 0.00 C ATOM 0 H LEU A 17 28.498 9.344 -0.872 1.00 0.00 H new ATOM 0 HA LEU A 17 30.509 8.610 0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 17 28.015 8.277 1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 17 28.091 6.984 0.036 1.00 0.00 H new ATOM 0 HG LEU A 17 29.879 5.876 1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 17 29.981 6.621 3.859 1.00 0.00 H new ATOM 0 HD12 LEU A 17 30.525 7.909 2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 17 28.898 7.981 3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 17 28.215 5.017 3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 17 27.135 6.378 2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 17 27.503 5.153 1.505 1.00 0.00 H new ATOM 274 N LEU A 18 30.403 6.825 -1.814 1.00 0.00 N ATOM 275 CA LEU A 18 31.207 5.888 -2.596 1.00 0.00 C ATOM 276 C LEU A 18 32.646 6.381 -2.731 1.00 0.00 C ATOM 277 O LEU A 18 33.589 5.586 -2.696 1.00 0.00 O ATOM 278 CB LEU A 18 30.599 5.695 -3.988 1.00 0.00 C ATOM 279 CG LEU A 18 29.149 5.219 -3.865 1.00 0.00 C ATOM 280 CD1 LEU A 18 28.524 5.122 -5.258 1.00 0.00 C ATOM 281 CD2 LEU A 18 29.111 3.838 -3.203 1.00 0.00 C ATOM 0 H LEU A 18 29.606 7.229 -2.307 1.00 0.00 H new ATOM 0 HA LEU A 18 31.213 4.934 -2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 18 30.637 6.632 -4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 18 31.183 4.967 -4.551 1.00 0.00 H new ATOM 0 HG LEU A 18 28.590 5.930 -3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 18 27.492 4.783 -5.171 1.00 0.00 H new ATOM 0 HD12 LEU A 18 28.545 6.102 -5.735 1.00 0.00 H new ATOM 0 HD13 LEU A 18 29.089 4.412 -5.862 1.00 0.00 H new ATOM 0 HD21 LEU A 18 28.077 3.504 -3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 18 29.673 3.128 -3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 18 29.556 3.898 -2.210 1.00 0.00 H new ATOM 293 N LEU A 19 32.819 7.699 -2.844 1.00 0.00 N ATOM 294 CA LEU A 19 34.167 8.268 -2.828 1.00 0.00 C ATOM 295 C LEU A 19 34.883 7.944 -1.516 1.00 0.00 C ATOM 296 O LEU A 19 36.092 7.710 -1.495 1.00 0.00 O ATOM 297 CB LEU A 19 34.110 9.785 -3.022 1.00 0.00 C ATOM 298 CG LEU A 19 35.526 10.327 -3.223 1.00 0.00 C ATOM 299 CD1 LEU A 19 36.043 9.910 -4.602 1.00 0.00 C ATOM 300 CD2 LEU A 19 35.502 11.854 -3.129 1.00 0.00 C ATOM 0 H LEU A 19 32.064 8.377 -2.945 1.00 0.00 H new ATOM 0 HA LEU A 19 34.727 7.822 -3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 19 33.490 10.029 -3.885 1.00 0.00 H new ATOM 0 HB3 LEU A 19 33.649 10.256 -2.154 1.00 0.00 H new ATOM 0 HG LEU A 19 36.183 9.923 -2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 19 37.052 10.297 -4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 19 36.058 8.822 -4.671 1.00 0.00 H new ATOM 0 HD13 LEU A 19 35.388 10.314 -5.374 1.00 0.00 H new ATOM 0 HD21 LEU A 19 36.510 12.243 -3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 19 34.845 12.256 -3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 19 35.134 12.152 -2.147 1.00 0.00 H new ATOM 312 N ALA A 20 34.121 7.884 -0.423 1.00 0.00 N ATOM 313 CA ALA A 20 34.687 7.474 0.858 1.00 0.00 C ATOM 314 C ALA A 20 35.230 6.051 0.782 1.00 0.00 C ATOM 315 O ALA A 20 36.275 5.741 1.358 1.00 0.00 O ATOM 316 CB ALA A 20 33.618 7.555 1.949 1.00 0.00 C ATOM 0 H ALA A 20 33.127 8.110 -0.400 1.00 0.00 H new ATOM 0 HA ALA A 20 35.509 8.148 1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 20 34.047 7.248 2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 20 33.256 8.580 2.028 1.00 0.00 H new ATOM 0 HB3 ALA A 20 32.788 6.895 1.695 1.00 0.00 H new ATOM 322 N CYS A 21 34.535 5.188 0.042 1.00 0.00 N ATOM 323 CA CYS A 21 35.012 3.823 -0.140 1.00 0.00 C ATOM 324 C CYS A 21 36.382 3.824 -0.812 1.00 0.00 C ATOM 325 O CYS A 21 37.273 3.057 -0.436 1.00 0.00 O ATOM 326 CB CYS A 21 34.015 3.033 -0.993 1.00 0.00 C ATOM 327 SG CYS A 21 34.016 1.296 -0.481 1.00 0.00 S ATOM 0 H CYS A 21 33.658 5.405 -0.431 1.00 0.00 H new ATOM 0 HA CYS A 21 35.102 3.350 0.838 1.00 0.00 H new ATOM 0 HB2 CYS A 21 33.015 3.454 -0.884 1.00 0.00 H new ATOM 0 HB3 CYS A 21 34.281 3.112 -2.047 1.00 0.00 H new ATOM 0 HG CYS A 21 33.167 0.630 -1.206 1.00 0.00 H new ATOM 333 N ILE A 22 36.564 4.715 -1.788 1.00 0.00 N ATOM 334 CA ILE A 22 37.867 4.831 -2.437 1.00 0.00 C ATOM 335 C ILE A 22 38.946 5.200 -1.417 1.00 0.00 C ATOM 336 O ILE A 22 40.079 4.719 -1.497 1.00 0.00 O ATOM 337 CB ILE A 22 37.820 5.897 -3.541 1.00 0.00 C ATOM 338 CG1 ILE A 22 36.674 5.614 -4.527 1.00 0.00 C ATOM 339 CG2 ILE A 22 39.149 5.911 -4.301 1.00 0.00 C ATOM 340 CD1 ILE A 22 36.822 4.231 -5.172 1.00 0.00 C ATOM 0 H ILE A 22 35.846 5.350 -2.138 1.00 0.00 H new ATOM 0 HA ILE A 22 38.112 3.865 -2.879 1.00 0.00 H new ATOM 0 HB ILE A 22 37.649 6.867 -3.074 1.00 0.00 H new ATOM 0 HG12 ILE A 22 35.719 5.674 -4.005 1.00 0.00 H new ATOM 0 HG13 ILE A 22 36.661 6.380 -5.303 1.00 0.00 H new ATOM 0 HG21 ILE A 22 39.112 6.669 -5.084 1.00 0.00 H new ATOM 0 HG22 ILE A 22 39.960 6.141 -3.611 1.00 0.00 H new ATOM 0 HG23 ILE A 22 39.322 4.933 -4.750 1.00 0.00 H new ATOM 0 HD11 ILE A 22 35.997 4.062 -5.863 1.00 0.00 H new ATOM 0 HD12 ILE A 22 37.766 4.182 -5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 22 36.809 3.465 -4.397 1.00 0.00 H new ATOM 352 N PHE A 23 38.586 6.027 -0.431 1.00 0.00 N ATOM 353 CA PHE A 23 39.528 6.347 0.638 1.00 0.00 C ATOM 354 C PHE A 23 39.949 5.087 1.391 1.00 0.00 C ATOM 355 O PHE A 23 41.103 4.954 1.802 1.00 0.00 O ATOM 356 CB PHE A 23 38.904 7.344 1.615 1.00 0.00 C ATOM 357 CG PHE A 23 39.895 7.925 2.598 1.00 0.00 C ATOM 358 CD1 PHE A 23 40.605 9.085 2.270 1.00 0.00 C ATOM 359 CD2 PHE A 23 40.100 7.304 3.835 1.00 0.00 C ATOM 360 CE1 PHE A 23 41.522 9.625 3.180 1.00 0.00 C ATOM 361 CE2 PHE A 23 41.017 7.843 4.746 1.00 0.00 C ATOM 362 CZ PHE A 23 41.728 9.004 4.418 1.00 0.00 C ATOM 0 H PHE A 23 37.673 6.475 -0.353 1.00 0.00 H new ATOM 0 HA PHE A 23 40.412 6.793 0.183 1.00 0.00 H new ATOM 0 HB2 PHE A 23 38.446 8.156 1.050 1.00 0.00 H new ATOM 0 HB3 PHE A 23 38.105 6.849 2.167 1.00 0.00 H new ATOM 0 HD1 PHE A 23 40.446 9.564 1.315 1.00 0.00 H new ATOM 0 HD2 PHE A 23 39.551 6.409 4.087 1.00 0.00 H new ATOM 0 HE1 PHE A 23 42.070 10.520 2.927 1.00 0.00 H new ATOM 0 HE2 PHE A 23 41.176 7.364 5.701 1.00 0.00 H new ATOM 0 HZ PHE A 23 42.435 9.420 5.120 1.00 0.00 H new ATOM 372 N LEU A 24 39.018 4.141 1.544 1.00 0.00 N ATOM 373 CA LEU A 24 39.362 2.872 2.180 1.00 0.00 C ATOM 374 C LEU A 24 40.454 2.149 1.397 1.00 0.00 C ATOM 375 O LEU A 24 41.332 1.512 1.984 1.00 0.00 O ATOM 376 CB LEU A 24 38.126 1.974 2.280 1.00 0.00 C ATOM 377 CG LEU A 24 38.454 0.748 3.133 1.00 0.00 C ATOM 378 CD1 LEU A 24 38.553 1.160 4.603 1.00 0.00 C ATOM 379 CD2 LEU A 24 37.346 -0.295 2.970 1.00 0.00 C ATOM 0 H LEU A 24 38.047 4.227 1.245 1.00 0.00 H new ATOM 0 HA LEU A 24 39.733 3.089 3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 24 37.297 2.526 2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 24 37.808 1.663 1.285 1.00 0.00 H new ATOM 0 HG LEU A 24 39.405 0.324 2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 24 38.787 0.286 5.211 1.00 0.00 H new ATOM 0 HD12 LEU A 24 39.340 1.905 4.720 1.00 0.00 H new ATOM 0 HD13 LEU A 24 37.602 1.583 4.927 1.00 0.00 H new ATOM 0 HD21 LEU A 24 37.578 -1.170 3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 24 36.396 0.130 3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 24 37.274 -0.589 1.923 1.00 0.00 H new ATOM 391 N ILE A 25 40.422 2.274 0.068 1.00 0.00 N ATOM 392 CA ILE A 25 41.488 1.688 -0.743 1.00 0.00 C ATOM 393 C ILE A 25 42.838 2.298 -0.368 1.00 0.00 C ATOM 394 O ILE A 25 43.855 1.598 -0.321 1.00 0.00 O ATOM 395 CB ILE A 25 41.210 1.913 -2.236 1.00 0.00 C ATOM 396 CG1 ILE A 25 39.837 1.341 -2.598 1.00 0.00 C ATOM 397 CG2 ILE A 25 42.277 1.201 -3.073 1.00 0.00 C ATOM 398 CD1 ILE A 25 39.486 1.722 -4.038 1.00 0.00 C ATOM 0 H ILE A 25 39.694 2.760 -0.455 1.00 0.00 H new ATOM 0 HA ILE A 25 41.518 0.616 -0.548 1.00 0.00 H new ATOM 0 HB ILE A 25 41.231 2.983 -2.442 1.00 0.00 H new ATOM 0 HG12 ILE A 25 39.843 0.256 -2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 25 39.080 1.725 -1.915 1.00 0.00 H new ATOM 0 HG21 ILE A 25 42.076 1.363 -4.132 1.00 0.00 H new ATOM 0 HG22 ILE A 25 43.260 1.600 -2.825 1.00 0.00 H new ATOM 0 HG23 ILE A 25 42.254 0.133 -2.859 1.00 0.00 H new ATOM 0 HD11 ILE A 25 38.508 1.314 -4.294 1.00 0.00 H new ATOM 0 HD12 ILE A 25 39.462 2.808 -4.132 1.00 0.00 H new ATOM 0 HD13 ILE A 25 40.237 1.316 -4.715 1.00 0.00 H new ATOM 410 N LYS A 26 42.846 3.598 -0.059 1.00 0.00 N ATOM 411 CA LYS A 26 44.079 4.225 0.412 1.00 0.00 C ATOM 412 C LYS A 26 44.574 3.566 1.699 1.00 0.00 C ATOM 413 O LYS A 26 45.780 3.430 1.911 1.00 0.00 O ATOM 414 CB LYS A 26 43.863 5.722 0.651 1.00 0.00 C ATOM 415 CG LYS A 26 45.205 6.384 0.969 1.00 0.00 C ATOM 416 CD LYS A 26 45.020 7.899 1.101 1.00 0.00 C ATOM 417 CE LYS A 26 44.210 8.218 2.360 1.00 0.00 C ATOM 418 NZ LYS A 26 44.884 7.633 3.554 1.00 0.00 N ATOM 0 H LYS A 26 42.039 4.218 -0.124 1.00 0.00 H new ATOM 0 HA LYS A 26 44.835 4.091 -0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 26 43.418 6.182 -0.231 1.00 0.00 H new ATOM 0 HB3 LYS A 26 43.166 5.873 1.475 1.00 0.00 H new ATOM 0 HG2 LYS A 26 45.611 5.976 1.895 1.00 0.00 H new ATOM 0 HG3 LYS A 26 45.925 6.164 0.181 1.00 0.00 H new ATOM 0 HD2 LYS A 26 45.992 8.390 1.150 1.00 0.00 H new ATOM 0 HD3 LYS A 26 44.509 8.290 0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 26 44.113 9.297 2.478 1.00 0.00 H new ATOM 0 HE3 LYS A 26 43.201 7.816 2.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 44.810 8.294 4.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 44.426 6.734 3.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 45.887 7.462 3.338 1.00 0.00 H new ATOM 432 N ILE A 27 43.640 3.123 2.546 1.00 0.00 N ATOM 433 CA ILE A 27 44.030 2.407 3.761 1.00 0.00 C ATOM 434 C ILE A 27 44.795 1.129 3.420 1.00 0.00 C ATOM 435 O ILE A 27 45.733 0.753 4.126 1.00 0.00 O ATOM 436 CB ILE A 27 42.801 2.061 4.614 1.00 0.00 C ATOM 437 CG1 ILE A 27 41.944 3.311 4.873 1.00 0.00 C ATOM 438 CG2 ILE A 27 43.261 1.476 5.952 1.00 0.00 C ATOM 439 CD1 ILE A 27 42.754 4.407 5.578 1.00 0.00 C ATOM 0 H ILE A 27 42.635 3.243 2.418 1.00 0.00 H new ATOM 0 HA ILE A 27 44.682 3.066 4.334 1.00 0.00 H new ATOM 0 HB ILE A 27 42.197 1.332 4.073 1.00 0.00 H new ATOM 0 HG12 ILE A 27 41.558 3.692 3.927 1.00 0.00 H new ATOM 0 HG13 ILE A 27 41.082 3.043 5.484 1.00 0.00 H new ATOM 0 HG21 ILE A 27 42.390 1.229 6.560 1.00 0.00 H new ATOM 0 HG22 ILE A 27 43.846 0.574 5.773 1.00 0.00 H new ATOM 0 HG23 ILE A 27 43.875 2.208 6.477 1.00 0.00 H new ATOM 0 HD11 ILE A 27 42.119 5.277 5.747 1.00 0.00 H new ATOM 0 HD12 ILE A 27 43.118 4.032 6.535 1.00 0.00 H new ATOM 0 HD13 ILE A 27 43.601 4.691 4.954 1.00 0.00 H new ATOM 451 N LEU A 28 44.418 0.481 2.315 1.00 0.00 N ATOM 452 CA LEU A 28 45.180 -0.680 1.852 1.00 0.00 C ATOM 453 C LEU A 28 46.630 -0.296 1.554 1.00 0.00 C ATOM 454 O LEU A 28 47.543 -1.098 1.747 1.00 0.00 O ATOM 455 CB LEU A 28 44.543 -1.280 0.595 1.00 0.00 C ATOM 456 CG LEU A 28 43.077 -1.629 0.865 1.00 0.00 C ATOM 457 CD1 LEU A 28 42.426 -2.127 -0.426 1.00 0.00 C ATOM 458 CD2 LEU A 28 42.997 -2.730 1.925 1.00 0.00 C ATOM 0 H LEU A 28 43.614 0.731 1.739 1.00 0.00 H new ATOM 0 HA LEU A 28 45.167 -1.424 2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 28 44.610 -0.571 -0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 28 45.088 -2.174 0.293 1.00 0.00 H new ATOM 0 HG LEU A 28 42.556 -0.741 1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 28 41.382 -2.376 -0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 28 42.480 -1.347 -1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 28 42.951 -3.014 -0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 28 41.952 -2.977 2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 28 43.520 -3.617 1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 28 43.461 -2.381 2.847 1.00 0.00 H new ATOM 470 N ALA A 29 46.835 0.936 1.084 1.00 0.00 N ATOM 471 CA ALA A 29 48.186 1.475 0.951 1.00 0.00 C ATOM 472 C ALA A 29 48.877 1.582 2.310 1.00 0.00 C ATOM 473 O ALA A 29 50.082 1.348 2.433 1.00 0.00 O ATOM 474 CB ALA A 29 48.131 2.855 0.295 1.00 0.00 C ATOM 0 H ALA A 29 46.092 1.571 0.793 1.00 0.00 H new ATOM 0 HA ALA A 29 48.762 0.792 0.327 1.00 0.00 H new ATOM 0 HB1 ALA A 29 49.141 3.252 0.198 1.00 0.00 H new ATOM 0 HB2 ALA A 29 47.678 2.770 -0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 29 47.534 3.527 0.911 1.00 0.00 H new ATOM 480 N ALA A 30 48.104 1.919 3.340 1.00 0.00 N ATOM 481 CA ALA A 30 48.654 1.993 4.691 1.00 0.00 C ATOM 482 C ALA A 30 49.233 0.645 5.116 1.00 0.00 C ATOM 483 O ALA A 30 50.252 0.587 5.808 1.00 0.00 O ATOM 484 CB ALA A 30 47.562 2.414 5.677 1.00 0.00 C ATOM 0 H ALA A 30 47.111 2.142 3.268 1.00 0.00 H new ATOM 0 HA ALA A 30 49.454 2.733 4.694 1.00 0.00 H new ATOM 0 HB1 ALA A 30 47.980 2.467 6.682 1.00 0.00 H new ATOM 0 HB2 ALA A 30 47.173 3.392 5.394 1.00 0.00 H new ATOM 0 HB3 ALA A 30 46.754 1.683 5.658 1.00 0.00 H new ATOM 490 N SER A 31 48.604 -0.442 4.672 1.00 0.00 N ATOM 491 CA SER A 31 49.148 -1.771 4.930 1.00 0.00 C ATOM 492 C SER A 31 50.551 -1.903 4.340 1.00 0.00 C ATOM 493 O SER A 31 51.426 -2.539 4.933 1.00 0.00 O ATOM 494 CB SER A 31 48.235 -2.837 4.324 1.00 0.00 C ATOM 495 OG SER A 31 46.918 -2.666 4.829 1.00 0.00 O ATOM 0 H SER A 31 47.733 -0.429 4.141 1.00 0.00 H new ATOM 0 HA SER A 31 49.206 -1.914 6.009 1.00 0.00 H new ATOM 0 HB2 SER A 31 48.234 -2.757 3.237 1.00 0.00 H new ATOM 0 HB3 SER A 31 48.605 -3.832 4.570 1.00 0.00 H new ATOM 0 HG SER A 31 46.328 -3.346 4.442 1.00 0.00 H new ATOM 501 N ALA A 32 50.784 -1.267 3.191 1.00 0.00 N ATOM 502 CA ALA A 32 52.119 -1.278 2.601 1.00 0.00 C ATOM 503 C ALA A 32 53.122 -0.625 3.547 1.00 0.00 C ATOM 504 O ALA A 32 54.245 -1.109 3.713 1.00 0.00 O ATOM 505 CB ALA A 32 52.108 -0.531 1.266 1.00 0.00 C ATOM 0 H ALA A 32 50.082 -0.749 2.662 1.00 0.00 H new ATOM 0 HA ALA A 32 52.415 -2.313 2.431 1.00 0.00 H new ATOM 0 HB1 ALA A 32 53.108 -0.544 0.833 1.00 0.00 H new ATOM 0 HB2 ALA A 32 51.411 -1.016 0.583 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.797 0.501 1.429 1.00 0.00 H new ATOM 511 N LEU A 33 52.705 0.465 4.193 1.00 0.00 N ATOM 512 CA LEU A 33 53.569 1.110 5.177 1.00 0.00 C ATOM 513 C LEU A 33 53.922 0.147 6.310 1.00 0.00 C ATOM 514 O LEU A 33 55.038 0.177 6.833 1.00 0.00 O ATOM 515 CB LEU A 33 52.874 2.347 5.755 1.00 0.00 C ATOM 516 CG LEU A 33 52.506 3.315 4.627 1.00 0.00 C ATOM 517 CD1 LEU A 33 51.724 4.496 5.206 1.00 0.00 C ATOM 518 CD2 LEU A 33 53.780 3.838 3.957 1.00 0.00 C ATOM 0 H LEU A 33 51.797 0.909 4.057 1.00 0.00 H new ATOM 0 HA LEU A 33 54.489 1.409 4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 33 51.977 2.050 6.298 1.00 0.00 H new ATOM 0 HB3 LEU A 33 53.530 2.842 6.471 1.00 0.00 H new ATOM 0 HG LEU A 33 51.896 2.792 3.890 1.00 0.00 H new ATOM 0 HD11 LEU A 33 51.461 5.186 4.404 1.00 0.00 H new ATOM 0 HD12 LEU A 33 50.815 4.131 5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 33 52.338 5.013 5.943 1.00 0.00 H new ATOM 0 HD21 LEU A 33 53.513 4.526 3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 33 54.391 4.359 4.694 1.00 0.00 H new ATOM 0 HD23 LEU A 33 54.344 3.001 3.544 1.00 0.00 H new ATOM 530 N TRP A 34 52.983 -0.731 6.671 1.00 0.00 N ATOM 531 CA TRP A 34 53.291 -1.777 7.646 1.00 0.00 C ATOM 532 C TRP A 34 54.435 -2.667 7.156 1.00 0.00 C ATOM 533 O TRP A 34 55.243 -3.149 7.948 1.00 0.00 O ATOM 534 CB TRP A 34 52.053 -2.636 7.916 1.00 0.00 C ATOM 535 CG TRP A 34 52.177 -3.485 9.142 1.00 0.00 C ATOM 536 CD1 TRP A 34 52.330 -4.829 9.145 1.00 0.00 C ATOM 537 CD2 TRP A 34 52.159 -3.072 10.540 1.00 0.00 C ATOM 538 NE1 TRP A 34 52.407 -5.268 10.453 1.00 0.00 N ATOM 539 CE2 TRP A 34 52.307 -4.224 11.351 1.00 0.00 C ATOM 540 CE3 TRP A 34 52.030 -1.826 11.178 1.00 0.00 C ATOM 541 CZ2 TRP A 34 52.327 -4.139 12.745 1.00 0.00 C ATOM 542 CZ3 TRP A 34 52.050 -1.737 12.577 1.00 0.00 C ATOM 543 CH2 TRP A 34 52.198 -2.891 13.360 1.00 0.00 C ATOM 0 H TRP A 34 52.028 -0.740 6.313 1.00 0.00 H new ATOM 0 HA TRP A 34 53.601 -1.289 8.570 1.00 0.00 H new ATOM 0 HB2 TRP A 34 51.184 -1.986 8.019 1.00 0.00 H new ATOM 0 HB3 TRP A 34 51.870 -3.278 7.055 1.00 0.00 H new ATOM 0 HD1 TRP A 34 52.383 -5.457 8.268 1.00 0.00 H new ATOM 0 HE1 TRP A 34 52.524 -6.245 10.722 1.00 0.00 H new ATOM 0 HE3 TRP A 34 51.915 -0.930 10.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 52.441 -5.031 13.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 51.951 -0.774 13.055 1.00 0.00 H new ATOM 0 HH2 TRP A 34 52.212 -2.815 14.437 1.00 0.00 H new ATOM 554 N ALA A 35 54.528 -2.850 5.837 1.00 0.00 N ATOM 555 CA ALA A 35 55.672 -3.548 5.260 1.00 0.00 C ATOM 556 C ALA A 35 56.971 -2.801 5.556 1.00 0.00 C ATOM 557 O ALA A 35 58.007 -3.410 5.839 1.00 0.00 O ATOM 558 CB ALA A 35 55.492 -3.678 3.745 1.00 0.00 C ATOM 0 H ALA A 35 53.836 -2.529 5.160 1.00 0.00 H new ATOM 0 HA ALA A 35 55.729 -4.539 5.710 1.00 0.00 H new ATOM 0 HB1 ALA A 35 56.349 -4.200 3.320 1.00 0.00 H new ATOM 0 HB2 ALA A 35 54.583 -4.241 3.534 1.00 0.00 H new ATOM 0 HB3 ALA A 35 55.415 -2.685 3.301 1.00 0.00 H new ATOM 564 N ALA A 36 56.905 -1.470 5.535 1.00 0.00 N ATOM 565 CA ALA A 36 58.072 -0.666 5.878 1.00 0.00 C ATOM 566 C ALA A 36 58.533 -0.970 7.303 1.00 0.00 C ATOM 567 O ALA A 36 59.731 -0.995 7.582 1.00 0.00 O ATOM 568 CB ALA A 36 57.735 0.821 5.756 1.00 0.00 C ATOM 0 H ALA A 36 56.072 -0.936 5.289 1.00 0.00 H new ATOM 0 HA ALA A 36 58.877 -0.914 5.187 1.00 0.00 H new ATOM 0 HB1 ALA A 36 58.612 1.415 6.014 1.00 0.00 H new ATOM 0 HB2 ALA A 36 57.434 1.043 4.732 1.00 0.00 H new ATOM 0 HB3 ALA A 36 56.918 1.066 6.435 1.00 0.00 H new ATOM 574 N ALA A 37 57.576 -1.197 8.201 1.00 0.00 N ATOM 575 CA ALA A 37 57.903 -1.617 9.560 1.00 0.00 C ATOM 576 C ALA A 37 58.611 -2.972 9.579 1.00 0.00 C ATOM 577 O ALA A 37 59.500 -3.204 10.407 1.00 0.00 O ATOM 578 CB ALA A 37 56.624 -1.701 10.395 1.00 0.00 C ATOM 0 H ALA A 37 56.578 -1.098 8.014 1.00 0.00 H new ATOM 0 HA ALA A 37 58.581 -0.875 9.983 1.00 0.00 H new ATOM 0 HB1 ALA A 37 56.871 -2.015 11.409 1.00 0.00 H new ATOM 0 HB2 ALA A 37 56.144 -0.723 10.425 1.00 0.00 H new ATOM 0 HB3 ALA A 37 55.944 -2.425 9.947 1.00 0.00 H new ATOM 584 N TRP A 38 58.184 -3.865 8.683 1.00 0.00 N ATOM 585 CA TRP A 38 58.821 -5.176 8.547 1.00 0.00 C ATOM 586 C TRP A 38 60.312 -5.062 8.227 1.00 0.00 C ATOM 587 O TRP A 38 61.090 -5.951 8.576 1.00 0.00 O ATOM 588 CB TRP A 38 58.130 -5.985 7.448 1.00 0.00 C ATOM 589 CG TRP A 38 58.472 -7.440 7.479 1.00 0.00 C ATOM 590 CD1 TRP A 38 59.482 -8.016 6.788 1.00 0.00 C ATOM 591 CD2 TRP A 38 57.818 -8.513 8.219 1.00 0.00 C ATOM 592 NE1 TRP A 38 59.495 -9.372 7.058 1.00 0.00 N ATOM 593 CE2 TRP A 38 58.488 -9.728 7.935 1.00 0.00 C ATOM 594 CE3 TRP A 38 56.725 -8.549 9.101 1.00 0.00 C ATOM 595 CZ2 TRP A 38 58.084 -10.936 8.507 1.00 0.00 C ATOM 596 CZ3 TRP A 38 56.315 -9.761 9.677 1.00 0.00 C ATOM 597 CH2 TRP A 38 56.993 -10.952 9.382 1.00 0.00 C ATOM 0 H TRP A 38 57.405 -3.705 8.045 1.00 0.00 H new ATOM 0 HA TRP A 38 58.720 -5.683 9.507 1.00 0.00 H new ATOM 0 HB2 TRP A 38 57.051 -5.871 7.547 1.00 0.00 H new ATOM 0 HB3 TRP A 38 58.406 -5.575 6.477 1.00 0.00 H new ATOM 0 HD1 TRP A 38 60.167 -7.500 6.132 1.00 0.00 H new ATOM 0 HE1 TRP A 38 60.166 -10.029 6.659 1.00 0.00 H new ATOM 0 HE3 TRP A 38 56.197 -7.637 9.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 58.610 -11.851 8.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 55.472 -9.776 10.352 1.00 0.00 H new ATOM 0 HH2 TRP A 38 56.673 -11.881 9.830 1.00 0.00 H new