USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 266 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 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.071 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.00406 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.178 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.0305 X(o=-0.031,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -22.503 5.225 -8.662 1.00 10.00 N ATOM 2 CA SER A 1 -23.552 4.370 -8.026 1.00 10.00 C ATOM 3 C SER A 1 -23.627 4.641 -6.517 1.00 10.00 C ATOM 4 O SER A 1 -24.647 5.068 -6.011 1.00 10.00 O ATOM 5 CB SER A 1 -23.117 2.925 -8.299 1.00 10.00 C ATOM 6 OG SER A 1 -24.213 2.053 -8.057 1.00 10.00 O ATOM 0 H1 SER A 1 -22.466 5.028 -9.683 1.00 10.00 H new ATOM 0 H2 SER A 1 -22.734 6.228 -8.511 1.00 10.00 H new ATOM 0 H3 SER A 1 -21.578 5.015 -8.236 1.00 10.00 H new ATOM 0 HA SER A 1 -24.544 4.575 -8.428 1.00 10.00 H new ATOM 0 HB2 SER A 1 -22.777 2.824 -9.330 1.00 10.00 H new ATOM 0 HB3 SER A 1 -22.276 2.658 -7.658 1.00 10.00 H new ATOM 0 HG SER A 1 -23.940 1.128 -8.232 1.00 10.00 H new ATOM 14 N GLY A 2 -22.557 4.398 -5.795 1.00 10.00 N ATOM 15 CA GLY A 2 -22.570 4.643 -4.320 1.00 10.00 C ATOM 16 C GLY A 2 -21.399 5.551 -3.936 1.00 10.00 C ATOM 17 O GLY A 2 -21.023 6.442 -4.675 1.00 10.00 O ATOM 0 H GLY A 2 -21.676 4.041 -6.166 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -23.512 5.106 -4.027 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -22.499 3.697 -3.784 1.00 10.00 H new ATOM 21 N SER A 3 -20.820 5.333 -2.781 1.00 10.00 N ATOM 22 CA SER A 3 -19.669 6.185 -2.343 1.00 10.00 C ATOM 23 C SER A 3 -18.370 5.713 -3.011 1.00 10.00 C ATOM 24 O SER A 3 -18.236 4.563 -3.389 1.00 10.00 O ATOM 25 CB SER A 3 -19.589 6.019 -0.818 1.00 10.00 C ATOM 26 OG SER A 3 -19.738 4.645 -0.472 1.00 10.00 O ATOM 0 H SER A 3 -21.093 4.603 -2.123 1.00 10.00 H new ATOM 0 HA SER A 3 -19.807 7.229 -2.624 1.00 10.00 H new ATOM 0 HB2 SER A 3 -18.633 6.394 -0.452 1.00 10.00 H new ATOM 0 HB3 SER A 3 -20.368 6.611 -0.338 1.00 10.00 H new ATOM 0 HG SER A 3 -19.684 4.545 0.501 1.00 10.00 H new ATOM 32 N TRP A 4 -17.414 6.597 -3.163 1.00 10.00 N ATOM 33 CA TRP A 4 -16.121 6.211 -3.809 1.00 10.00 C ATOM 34 C TRP A 4 -15.053 5.910 -2.748 1.00 10.00 C ATOM 35 O TRP A 4 -14.100 5.198 -3.007 1.00 10.00 O ATOM 36 CB TRP A 4 -15.718 7.421 -4.656 1.00 10.00 C ATOM 37 CG TRP A 4 -15.408 6.968 -6.047 1.00 10.00 C ATOM 38 CD1 TRP A 4 -16.317 6.827 -7.039 1.00 10.00 C ATOM 39 CD2 TRP A 4 -14.121 6.591 -6.613 1.00 10.00 C ATOM 40 NE1 TRP A 4 -15.669 6.389 -8.179 1.00 10.00 N ATOM 41 CE2 TRP A 4 -14.314 6.229 -7.967 1.00 10.00 C ATOM 42 CE3 TRP A 4 -12.818 6.530 -6.089 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -13.251 5.819 -8.772 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -11.746 6.118 -6.897 1.00 10.00 C ATOM 45 CH2 TRP A 4 -11.962 5.763 -8.235 1.00 10.00 C ATOM 0 H TRP A 4 -17.474 7.571 -2.867 1.00 10.00 H new ATOM 0 HA TRP A 4 -16.221 5.309 -4.412 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -16.525 8.154 -4.671 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -14.849 7.912 -4.219 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -17.375 7.024 -6.954 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -16.135 6.206 -9.068 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -12.640 6.802 -5.059 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -13.423 5.547 -9.803 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -10.749 6.075 -6.484 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -11.133 5.446 -8.851 1.00 10.00 H new ATOM 56 N LEU A 5 -15.207 6.440 -1.553 1.00 10.00 N ATOM 57 CA LEU A 5 -14.204 6.174 -0.473 1.00 10.00 C ATOM 58 C LEU A 5 -14.100 4.666 -0.217 1.00 10.00 C ATOM 59 O LEU A 5 -13.023 4.138 -0.014 1.00 10.00 O ATOM 60 CB LEU A 5 -14.739 6.896 0.772 1.00 10.00 C ATOM 61 CG LEU A 5 -13.633 7.756 1.397 1.00 10.00 C ATOM 62 CD1 LEU A 5 -12.409 6.889 1.707 1.00 10.00 C ATOM 63 CD2 LEU A 5 -13.235 8.871 0.423 1.00 10.00 C ATOM 0 H LEU A 5 -15.983 7.044 -1.282 1.00 10.00 H new ATOM 0 HA LEU A 5 -13.208 6.526 -0.742 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -15.589 7.523 0.502 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -15.098 6.167 1.499 1.00 10.00 H new ATOM 0 HG LEU A 5 -14.005 8.196 2.322 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -11.628 7.507 2.150 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -12.689 6.101 2.406 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -12.037 6.441 0.785 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -12.449 9.481 0.869 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -12.870 8.430 -0.505 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -14.103 9.496 0.211 1.00 10.00 H new ATOM 75 N ARG A 6 -15.213 3.970 -0.242 1.00 10.00 N ATOM 76 CA ARG A 6 -15.185 2.490 -0.017 1.00 10.00 C ATOM 77 C ARG A 6 -14.337 1.818 -1.103 1.00 10.00 C ATOM 78 O ARG A 6 -13.580 0.906 -0.830 1.00 10.00 O ATOM 79 CB ARG A 6 -16.647 2.035 -0.114 1.00 10.00 C ATOM 80 CG ARG A 6 -16.977 1.108 1.060 1.00 10.00 C ATOM 81 CD ARG A 6 -17.940 1.816 2.020 1.00 10.00 C ATOM 82 NE ARG A 6 -17.092 2.775 2.788 1.00 10.00 N ATOM 83 CZ ARG A 6 -17.586 3.924 3.168 1.00 10.00 C ATOM 84 NH1 ARG A 6 -17.817 4.861 2.285 1.00 10.00 N ATOM 85 NH2 ARG A 6 -17.854 4.132 4.431 1.00 10.00 N ATOM 0 H ARG A 6 -16.139 4.364 -0.409 1.00 10.00 H new ATOM 0 HA ARG A 6 -14.748 2.225 0.946 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -17.309 2.901 -0.104 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -16.815 1.516 -1.058 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -17.427 0.185 0.693 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -16.063 0.830 1.585 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -18.728 2.336 1.475 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -18.429 1.103 2.684 1.00 10.00 H new ATOM 0 HE ARG A 6 -16.128 2.534 3.016 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -17.612 4.695 1.300 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -18.203 5.758 2.582 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -17.677 3.398 5.117 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -18.240 5.028 4.730 1.00 10.00 H new ATOM 99 N ASP A 7 -14.450 2.276 -2.329 1.00 10.00 N ATOM 100 CA ASP A 7 -13.642 1.681 -3.436 1.00 10.00 C ATOM 101 C ASP A 7 -12.147 1.907 -3.170 1.00 10.00 C ATOM 102 O ASP A 7 -11.333 1.027 -3.373 1.00 10.00 O ATOM 103 CB ASP A 7 -14.091 2.426 -4.700 1.00 10.00 C ATOM 104 CG ASP A 7 -13.160 2.078 -5.864 1.00 10.00 C ATOM 105 OD1 ASP A 7 -13.094 0.912 -6.220 1.00 10.00 O ATOM 106 OD2 ASP A 7 -12.526 2.984 -6.380 1.00 10.00 O ATOM 0 H ASP A 7 -15.069 3.037 -2.608 1.00 10.00 H new ATOM 0 HA ASP A 7 -13.789 0.605 -3.530 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -15.117 2.154 -4.949 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -14.080 3.501 -4.523 1.00 10.00 H new ATOM 111 N ILE A 8 -11.787 3.080 -2.705 1.00 10.00 N ATOM 112 CA ILE A 8 -10.349 3.366 -2.409 1.00 10.00 C ATOM 113 C ILE A 8 -9.870 2.490 -1.243 1.00 10.00 C ATOM 114 O ILE A 8 -8.725 2.079 -1.200 1.00 10.00 O ATOM 115 CB ILE A 8 -10.295 4.853 -2.028 1.00 10.00 C ATOM 116 CG1 ILE A 8 -10.729 5.709 -3.225 1.00 10.00 C ATOM 117 CG2 ILE A 8 -8.864 5.233 -1.632 1.00 10.00 C ATOM 118 CD1 ILE A 8 -11.425 6.976 -2.723 1.00 10.00 C ATOM 0 H ILE A 8 -12.428 3.851 -2.518 1.00 10.00 H new ATOM 0 HA ILE A 8 -9.703 3.149 -3.260 1.00 10.00 H new ATOM 0 HB ILE A 8 -10.967 5.030 -1.188 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -9.862 5.973 -3.830 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -11.403 5.141 -3.866 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -8.829 6.289 -1.362 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -8.550 4.630 -0.780 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -8.194 5.051 -2.472 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -11.733 7.583 -3.574 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -12.302 6.701 -2.137 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -10.736 7.547 -2.100 1.00 10.00 H new ATOM 130 N TRP A 9 -10.740 2.195 -0.301 1.00 10.00 N ATOM 131 CA TRP A 9 -10.341 1.338 0.863 1.00 10.00 C ATOM 132 C TRP A 9 -9.810 -0.015 0.369 1.00 10.00 C ATOM 133 O TRP A 9 -8.832 -0.526 0.880 1.00 10.00 O ATOM 134 CB TRP A 9 -11.620 1.151 1.686 1.00 10.00 C ATOM 135 CG TRP A 9 -11.283 0.507 2.996 1.00 10.00 C ATOM 136 CD1 TRP A 9 -11.883 -0.598 3.495 1.00 10.00 C ATOM 137 CD2 TRP A 9 -10.280 0.907 3.976 1.00 10.00 C ATOM 138 NE1 TRP A 9 -11.312 -0.903 4.716 1.00 10.00 N ATOM 139 CE2 TRP A 9 -10.320 -0.005 5.057 1.00 10.00 C ATOM 140 CE3 TRP A 9 -9.350 1.961 4.032 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -9.467 0.124 6.154 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -8.490 2.094 5.133 1.00 10.00 C ATOM 143 CH2 TRP A 9 -8.550 1.177 6.193 1.00 10.00 C ATOM 0 H TRP A 9 -11.709 2.512 -0.290 1.00 10.00 H new ATOM 0 HA TRP A 9 -9.546 1.793 1.454 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -12.100 2.115 1.856 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -12.331 0.533 1.137 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -12.678 -1.151 3.017 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -11.590 -1.695 5.295 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -9.297 2.673 3.222 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -9.516 -0.585 6.967 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -7.779 2.906 5.164 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -7.887 1.285 7.039 1.00 10.00 H new ATOM 154 N ASP A 10 -10.441 -0.587 -0.631 1.00 10.00 N ATOM 155 CA ASP A 10 -9.963 -1.897 -1.174 1.00 10.00 C ATOM 156 C ASP A 10 -8.535 -1.741 -1.714 1.00 10.00 C ATOM 157 O ASP A 10 -7.681 -2.577 -1.487 1.00 10.00 O ATOM 158 CB ASP A 10 -10.939 -2.241 -2.305 1.00 10.00 C ATOM 159 CG ASP A 10 -10.562 -3.589 -2.924 1.00 10.00 C ATOM 160 OD1 ASP A 10 -10.851 -4.603 -2.310 1.00 10.00 O ATOM 161 OD2 ASP A 10 -9.994 -3.584 -4.005 1.00 10.00 O ATOM 0 H ASP A 10 -11.265 -0.203 -1.093 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.936 -2.681 -0.417 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -11.958 -2.280 -1.919 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -10.916 -1.462 -3.067 1.00 10.00 H new ATOM 166 N TRP A 11 -8.274 -0.662 -2.413 1.00 10.00 N ATOM 167 CA TRP A 11 -6.901 -0.427 -2.958 1.00 10.00 C ATOM 168 C TRP A 11 -5.918 -0.173 -1.805 1.00 10.00 C ATOM 169 O TRP A 11 -4.788 -0.618 -1.840 1.00 10.00 O ATOM 170 CB TRP A 11 -7.031 0.814 -3.849 1.00 10.00 C ATOM 171 CG TRP A 11 -5.678 1.228 -4.338 1.00 10.00 C ATOM 172 CD1 TRP A 11 -5.057 0.723 -5.428 1.00 10.00 C ATOM 173 CD2 TRP A 11 -4.771 2.217 -3.771 1.00 10.00 C ATOM 174 NE1 TRP A 11 -3.828 1.340 -5.566 1.00 10.00 N ATOM 175 CE2 TRP A 11 -3.606 2.269 -4.571 1.00 10.00 C ATOM 176 CE3 TRP A 11 -4.847 3.065 -2.653 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -2.552 3.133 -4.271 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -3.789 3.936 -2.347 1.00 10.00 C ATOM 179 CH2 TRP A 11 -2.643 3.970 -3.155 1.00 10.00 C ATOM 0 H TRP A 11 -8.954 0.067 -2.629 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.521 -1.283 -3.517 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -7.684 0.599 -4.695 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -7.491 1.629 -3.290 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -5.456 -0.037 -6.083 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -3.165 1.133 -6.313 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -5.725 3.047 -2.025 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -1.672 3.155 -4.897 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -3.858 4.583 -1.485 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -1.832 4.642 -2.915 1.00 10.00 H new ATOM 190 N ILE A 12 -6.346 0.527 -0.781 1.00 10.00 N ATOM 191 CA ILE A 12 -5.437 0.793 0.380 1.00 10.00 C ATOM 192 C ILE A 12 -5.011 -0.540 1.018 1.00 10.00 C ATOM 193 O ILE A 12 -3.891 -0.690 1.469 1.00 10.00 O ATOM 194 CB ILE A 12 -6.265 1.640 1.358 1.00 10.00 C ATOM 195 CG1 ILE A 12 -6.392 3.067 0.812 1.00 10.00 C ATOM 196 CG2 ILE A 12 -5.578 1.682 2.727 1.00 10.00 C ATOM 197 CD1 ILE A 12 -7.576 3.771 1.477 1.00 10.00 C ATOM 0 H ILE A 12 -7.282 0.924 -0.699 1.00 10.00 H new ATOM 0 HA ILE A 12 -4.523 1.311 0.089 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.254 1.195 1.467 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -5.473 3.622 1.002 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -6.532 3.042 -0.269 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -6.172 2.285 3.414 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -5.486 0.669 3.119 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -4.586 2.122 2.623 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -7.663 4.785 1.086 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -8.493 3.221 1.265 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -7.418 3.810 2.555 1.00 10.00 H new ATOM 209 N CYS A 13 -5.895 -1.511 1.038 1.00 10.00 N ATOM 210 CA CYS A 13 -5.547 -2.842 1.623 1.00 10.00 C ATOM 211 C CYS A 13 -4.607 -3.603 0.678 1.00 10.00 C ATOM 212 O CYS A 13 -3.755 -4.353 1.115 1.00 10.00 O ATOM 213 CB CYS A 13 -6.884 -3.575 1.767 1.00 10.00 C ATOM 214 SG CYS A 13 -6.624 -5.156 2.608 1.00 10.00 S ATOM 0 H CYS A 13 -6.844 -1.436 0.673 1.00 10.00 H new ATOM 0 HA CYS A 13 -5.031 -2.754 2.579 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -7.587 -2.963 2.332 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -7.326 -3.743 0.785 1.00 10.00 H new ATOM 0 HG CYS A 13 -7.761 -5.775 2.730 1.00 10.00 H new ATOM 220 N GLU A 14 -4.744 -3.404 -0.614 1.00 10.00 N ATOM 221 CA GLU A 14 -3.847 -4.107 -1.584 1.00 10.00 C ATOM 222 C GLU A 14 -2.431 -3.527 -1.501 1.00 10.00 C ATOM 223 O GLU A 14 -1.451 -4.239 -1.609 1.00 10.00 O ATOM 224 CB GLU A 14 -4.453 -3.845 -2.968 1.00 10.00 C ATOM 225 CG GLU A 14 -4.739 -5.179 -3.668 1.00 10.00 C ATOM 226 CD GLU A 14 -3.443 -5.741 -4.263 1.00 10.00 C ATOM 227 OE1 GLU A 14 -2.682 -6.340 -3.520 1.00 10.00 O ATOM 228 OE2 GLU A 14 -3.235 -5.566 -5.453 1.00 10.00 O ATOM 0 H GLU A 14 -5.437 -2.786 -1.036 1.00 10.00 H new ATOM 0 HA GLU A 14 -3.773 -5.174 -1.374 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -5.374 -3.270 -2.870 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -3.767 -3.248 -3.569 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -5.162 -5.890 -2.958 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -5.479 -5.036 -4.455 1.00 10.00 H new ATOM 235 N VAL A 15 -2.324 -2.239 -1.303 1.00 10.00 N ATOM 236 CA VAL A 15 -0.975 -1.594 -1.203 1.00 10.00 C ATOM 237 C VAL A 15 -0.354 -1.845 0.184 1.00 10.00 C ATOM 238 O VAL A 15 0.835 -1.674 0.370 1.00 10.00 O ATOM 239 CB VAL A 15 -1.221 -0.093 -1.415 1.00 10.00 C ATOM 240 CG1 VAL A 15 0.115 0.658 -1.381 1.00 10.00 C ATOM 241 CG2 VAL A 15 -1.892 0.137 -2.772 1.00 10.00 C ATOM 0 H VAL A 15 -3.114 -1.601 -1.206 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.280 -2.000 -1.938 1.00 10.00 H new ATOM 0 HB VAL A 15 -1.870 0.276 -0.621 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -0.062 1.723 -1.532 1.00 10.00 H new ATOM 0 HG12 VAL A 15 0.595 0.503 -0.415 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.764 0.283 -2.172 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.064 1.204 -2.917 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.245 -0.237 -3.566 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -2.845 -0.391 -2.801 1.00 10.00 H new ATOM 251 N LEU A 16 -1.150 -2.243 1.156 1.00 10.00 N ATOM 252 CA LEU A 16 -0.608 -2.502 2.531 1.00 10.00 C ATOM 253 C LEU A 16 0.650 -3.385 2.456 1.00 10.00 C ATOM 254 O LEU A 16 1.655 -3.093 3.076 1.00 10.00 O ATOM 255 CB LEU A 16 -1.744 -3.215 3.277 1.00 10.00 C ATOM 256 CG LEU A 16 -1.274 -3.622 4.679 1.00 10.00 C ATOM 257 CD1 LEU A 16 -2.274 -3.118 5.721 1.00 10.00 C ATOM 258 CD2 LEU A 16 -1.179 -5.148 4.764 1.00 10.00 C ATOM 0 H LEU A 16 -2.153 -2.399 1.053 1.00 10.00 H new ATOM 0 HA LEU A 16 -0.307 -1.585 3.038 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.611 -2.558 3.351 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -2.059 -4.097 2.720 1.00 10.00 H new ATOM 0 HG LEU A 16 -0.295 -3.184 4.872 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.939 -3.408 6.717 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -2.343 -2.032 5.663 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -3.254 -3.555 5.526 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -0.845 -5.437 5.761 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -2.158 -5.585 4.569 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -0.466 -5.510 4.023 1.00 10.00 H new ATOM 270 N SER A 17 0.608 -4.446 1.688 1.00 10.00 N ATOM 271 CA SER A 17 1.810 -5.329 1.557 1.00 10.00 C ATOM 272 C SER A 17 2.876 -4.629 0.705 1.00 10.00 C ATOM 273 O SER A 17 4.056 -4.686 1.001 1.00 10.00 O ATOM 274 CB SER A 17 1.311 -6.596 0.859 1.00 10.00 C ATOM 275 OG SER A 17 0.632 -6.240 -0.340 1.00 10.00 O ATOM 0 H SER A 17 -0.205 -4.739 1.147 1.00 10.00 H new ATOM 0 HA SER A 17 2.263 -5.557 2.522 1.00 10.00 H new ATOM 0 HB2 SER A 17 2.150 -7.254 0.633 1.00 10.00 H new ATOM 0 HB3 SER A 17 0.642 -7.148 1.519 1.00 10.00 H new ATOM 0 HG SER A 17 0.313 -7.051 -0.789 1.00 10.00 H new ATOM 281 N ASP A 18 2.459 -3.963 -0.347 1.00 10.00 N ATOM 282 CA ASP A 18 3.428 -3.242 -1.229 1.00 10.00 C ATOM 283 C ASP A 18 4.199 -2.187 -0.426 1.00 10.00 C ATOM 284 O ASP A 18 5.359 -1.943 -0.683 1.00 10.00 O ATOM 285 CB ASP A 18 2.563 -2.579 -2.309 1.00 10.00 C ATOM 286 CG ASP A 18 3.375 -1.517 -3.055 1.00 10.00 C ATOM 287 OD1 ASP A 18 4.191 -1.893 -3.879 1.00 10.00 O ATOM 288 OD2 ASP A 18 3.168 -0.343 -2.789 1.00 10.00 O ATOM 0 H ASP A 18 1.483 -3.889 -0.632 1.00 10.00 H new ATOM 0 HA ASP A 18 4.173 -3.912 -1.659 1.00 10.00 H new ATOM 0 HB2 ASP A 18 2.203 -3.332 -3.010 1.00 10.00 H new ATOM 0 HB3 ASP A 18 1.685 -2.122 -1.853 1.00 10.00 H new ATOM 293 N PHE A 19 3.567 -1.566 0.541 1.00 10.00 N ATOM 294 CA PHE A 19 4.266 -0.528 1.364 1.00 10.00 C ATOM 295 C PHE A 19 5.591 -1.077 1.907 1.00 10.00 C ATOM 296 O PHE A 19 6.586 -0.379 1.951 1.00 10.00 O ATOM 297 CB PHE A 19 3.303 -0.212 2.512 1.00 10.00 C ATOM 298 CG PHE A 19 2.985 1.264 2.512 1.00 10.00 C ATOM 299 CD1 PHE A 19 2.194 1.809 1.494 1.00 10.00 C ATOM 300 CD2 PHE A 19 3.484 2.089 3.528 1.00 10.00 C ATOM 301 CE1 PHE A 19 1.902 3.178 1.491 1.00 10.00 C ATOM 302 CE2 PHE A 19 3.192 3.458 3.525 1.00 10.00 C ATOM 303 CZ PHE A 19 2.400 4.002 2.507 1.00 10.00 C ATOM 0 H PHE A 19 2.594 -1.734 0.797 1.00 10.00 H new ATOM 0 HA PHE A 19 4.510 0.360 0.781 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.387 -0.792 2.402 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.749 -0.499 3.464 1.00 10.00 H new ATOM 0 HD1 PHE A 19 1.809 1.173 0.711 1.00 10.00 H new ATOM 0 HD2 PHE A 19 4.094 1.669 4.314 1.00 10.00 H new ATOM 0 HE1 PHE A 19 1.292 3.598 0.705 1.00 10.00 H new ATOM 0 HE2 PHE A 19 3.578 4.094 4.308 1.00 10.00 H new ATOM 0 HZ PHE A 19 2.173 5.058 2.506 1.00 10.00 H new ATOM 313 N LYS A 20 5.613 -2.326 2.308 1.00 10.00 N ATOM 314 CA LYS A 20 6.879 -2.928 2.835 1.00 10.00 C ATOM 315 C LYS A 20 7.975 -2.885 1.760 1.00 10.00 C ATOM 316 O LYS A 20 9.114 -2.562 2.040 1.00 10.00 O ATOM 317 CB LYS A 20 6.521 -4.377 3.180 1.00 10.00 C ATOM 318 CG LYS A 20 7.721 -5.064 3.841 1.00 10.00 C ATOM 319 CD LYS A 20 7.871 -6.484 3.291 1.00 10.00 C ATOM 320 CE LYS A 20 6.772 -7.379 3.876 1.00 10.00 C ATOM 321 NZ LYS A 20 7.205 -8.774 3.575 1.00 10.00 N ATOM 0 H LYS A 20 4.809 -2.954 2.293 1.00 10.00 H new ATOM 0 HA LYS A 20 7.262 -2.388 3.701 1.00 10.00 H new ATOM 0 HB2 LYS A 20 5.662 -4.399 3.851 1.00 10.00 H new ATOM 0 HB3 LYS A 20 6.234 -4.915 2.277 1.00 10.00 H new ATOM 0 HG2 LYS A 20 8.629 -4.492 3.651 1.00 10.00 H new ATOM 0 HG3 LYS A 20 7.584 -5.095 4.922 1.00 10.00 H new ATOM 0 HD2 LYS A 20 7.805 -6.473 2.203 1.00 10.00 H new ATOM 0 HD3 LYS A 20 8.853 -6.882 3.546 1.00 10.00 H new ATOM 0 HE2 LYS A 20 6.666 -7.222 4.949 1.00 10.00 H new ATOM 0 HE3 LYS A 20 5.804 -7.161 3.425 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 6.501 -9.444 3.946 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 7.291 -8.896 2.546 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 8.126 -8.956 4.023 1.00 10.00 H new ATOM 335 N THR A 21 7.635 -3.202 0.533 1.00 10.00 N ATOM 336 CA THR A 21 8.655 -3.174 -0.562 1.00 10.00 C ATOM 337 C THR A 21 8.795 -1.755 -1.125 1.00 10.00 C ATOM 338 O THR A 21 9.889 -1.307 -1.417 1.00 10.00 O ATOM 339 CB THR A 21 8.142 -4.139 -1.648 1.00 10.00 C ATOM 340 OG1 THR A 21 6.783 -4.491 -1.399 1.00 10.00 O ATOM 341 CG2 THR A 21 9.002 -5.406 -1.648 1.00 10.00 C ATOM 0 H THR A 21 6.697 -3.478 0.243 1.00 10.00 H new ATOM 0 HA THR A 21 9.638 -3.473 -0.199 1.00 10.00 H new ATOM 0 HB THR A 21 8.207 -3.645 -2.618 1.00 10.00 H new ATOM 0 HG1 THR A 21 6.470 -5.103 -2.098 1.00 10.00 H new ATOM 0 HG21 THR A 21 8.641 -6.091 -2.416 1.00 10.00 H new ATOM 0 HG22 THR A 21 10.039 -5.142 -1.856 1.00 10.00 H new ATOM 0 HG23 THR A 21 8.939 -5.889 -0.673 1.00 10.00 H new ATOM 349 N TRP A 22 7.702 -1.043 -1.274 1.00 10.00 N ATOM 350 CA TRP A 22 7.774 0.352 -1.812 1.00 10.00 C ATOM 351 C TRP A 22 8.677 1.209 -0.919 1.00 10.00 C ATOM 352 O TRP A 22 9.572 1.880 -1.394 1.00 10.00 O ATOM 353 CB TRP A 22 6.337 0.877 -1.778 1.00 10.00 C ATOM 354 CG TRP A 22 6.111 1.786 -2.945 1.00 10.00 C ATOM 355 CD1 TRP A 22 5.602 1.406 -4.140 1.00 10.00 C ATOM 356 CD2 TRP A 22 6.380 3.213 -3.048 1.00 10.00 C ATOM 357 NE1 TRP A 22 5.542 2.511 -4.970 1.00 10.00 N ATOM 358 CE2 TRP A 22 6.009 3.649 -4.343 1.00 10.00 C ATOM 359 CE3 TRP A 22 6.905 4.164 -2.154 1.00 10.00 C ATOM 360 CZ2 TRP A 22 6.155 4.979 -4.736 1.00 10.00 C ATOM 361 CZ3 TRP A 22 7.051 5.504 -2.547 1.00 10.00 C ATOM 362 CH2 TRP A 22 6.678 5.911 -3.835 1.00 10.00 C ATOM 0 H TRP A 22 6.763 -1.369 -1.046 1.00 10.00 H new ATOM 0 HA TRP A 22 8.189 0.383 -2.819 1.00 10.00 H new ATOM 0 HB2 TRP A 22 5.634 0.045 -1.810 1.00 10.00 H new ATOM 0 HB3 TRP A 22 6.156 1.412 -0.846 1.00 10.00 H new ATOM 0 HD1 TRP A 22 5.293 0.405 -4.402 1.00 10.00 H new ATOM 0 HE1 TRP A 22 5.195 2.488 -5.929 1.00 10.00 H new ATOM 0 HE3 TRP A 22 7.198 3.861 -1.159 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 5.866 5.287 -5.730 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 7.454 6.226 -1.852 1.00 10.00 H new ATOM 0 HH2 TRP A 22 6.794 6.943 -4.131 1.00 10.00 H new ATOM 373 N LEU A 23 8.448 1.181 0.373 1.00 10.00 N ATOM 374 CA LEU A 23 9.296 1.985 1.310 1.00 10.00 C ATOM 375 C LEU A 23 10.748 1.492 1.256 1.00 10.00 C ATOM 376 O LEU A 23 11.676 2.271 1.374 1.00 10.00 O ATOM 377 CB LEU A 23 8.697 1.755 2.705 1.00 10.00 C ATOM 378 CG LEU A 23 7.648 2.832 3.023 1.00 10.00 C ATOM 379 CD1 LEU A 23 8.310 4.212 3.046 1.00 10.00 C ATOM 380 CD2 LEU A 23 6.542 2.817 1.962 1.00 10.00 C ATOM 0 H LEU A 23 7.710 0.636 0.819 1.00 10.00 H new ATOM 0 HA LEU A 23 9.306 3.043 1.050 1.00 10.00 H new ATOM 0 HB2 LEU A 23 8.239 0.767 2.752 1.00 10.00 H new ATOM 0 HB3 LEU A 23 9.488 1.776 3.455 1.00 10.00 H new ATOM 0 HG LEU A 23 7.213 2.621 4.000 1.00 10.00 H new ATOM 0 HD11 LEU A 23 7.561 4.971 3.272 1.00 10.00 H new ATOM 0 HD12 LEU A 23 9.087 4.230 3.810 1.00 10.00 H new ATOM 0 HD13 LEU A 23 8.754 4.419 2.072 1.00 10.00 H new ATOM 0 HD21 LEU A 23 5.803 3.584 2.196 1.00 10.00 H new ATOM 0 HD22 LEU A 23 6.975 3.017 0.982 1.00 10.00 H new ATOM 0 HD23 LEU A 23 6.060 1.839 1.953 1.00 10.00 H new ATOM 392 N LYS A 24 10.953 0.208 1.064 1.00 10.00 N ATOM 393 CA LYS A 24 12.348 -0.329 0.984 1.00 10.00 C ATOM 394 C LYS A 24 13.066 0.273 -0.233 1.00 10.00 C ATOM 395 O LYS A 24 14.234 0.607 -0.171 1.00 10.00 O ATOM 396 CB LYS A 24 12.187 -1.845 0.823 1.00 10.00 C ATOM 397 CG LYS A 24 13.564 -2.520 0.846 1.00 10.00 C ATOM 398 CD LYS A 24 13.784 -3.287 -0.462 1.00 10.00 C ATOM 399 CE LYS A 24 14.305 -2.329 -1.541 1.00 10.00 C ATOM 400 NZ LYS A 24 15.182 -3.162 -2.415 1.00 10.00 N ATOM 0 H LYS A 24 10.215 -0.488 0.960 1.00 10.00 H new ATOM 0 HA LYS A 24 12.942 -0.081 1.864 1.00 10.00 H new ATOM 0 HB2 LYS A 24 11.565 -2.241 1.625 1.00 10.00 H new ATOM 0 HB3 LYS A 24 11.678 -2.068 -0.115 1.00 10.00 H new ATOM 0 HG2 LYS A 24 14.345 -1.771 0.975 1.00 10.00 H new ATOM 0 HG3 LYS A 24 13.632 -3.201 1.694 1.00 10.00 H new ATOM 0 HD2 LYS A 24 14.497 -4.096 -0.305 1.00 10.00 H new ATOM 0 HD3 LYS A 24 12.850 -3.744 -0.788 1.00 10.00 H new ATOM 0 HE2 LYS A 24 13.484 -1.892 -2.109 1.00 10.00 H new ATOM 0 HE3 LYS A 24 14.861 -1.503 -1.098 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 15.574 -2.572 -3.177 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 15.959 -3.559 -1.849 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 14.625 -3.936 -2.829 1.00 10.00 H new ATOM 414 N ALA A 25 12.368 0.419 -1.334 1.00 10.00 N ATOM 415 CA ALA A 25 12.997 1.009 -2.560 1.00 10.00 C ATOM 416 C ALA A 25 13.162 2.530 -2.404 1.00 10.00 C ATOM 417 O ALA A 25 13.988 3.138 -3.058 1.00 10.00 O ATOM 418 CB ALA A 25 12.025 0.689 -3.697 1.00 10.00 C ATOM 0 H ALA A 25 11.388 0.155 -1.437 1.00 10.00 H new ATOM 0 HA ALA A 25 13.992 0.604 -2.745 1.00 10.00 H new ATOM 0 HB1 ALA A 25 12.415 1.089 -4.633 1.00 10.00 H new ATOM 0 HB2 ALA A 25 11.910 -0.391 -3.784 1.00 10.00 H new ATOM 0 HB3 ALA A 25 11.056 1.141 -3.485 1.00 10.00 H new ATOM 424 N LYS A 26 12.383 3.148 -1.543 1.00 10.00 N ATOM 425 CA LYS A 26 12.497 4.629 -1.344 1.00 10.00 C ATOM 426 C LYS A 26 13.860 5.006 -0.734 1.00 10.00 C ATOM 427 O LYS A 26 14.239 6.162 -0.737 1.00 10.00 O ATOM 428 CB LYS A 26 11.358 4.999 -0.385 1.00 10.00 C ATOM 429 CG LYS A 26 10.146 5.484 -1.186 1.00 10.00 C ATOM 430 CD LYS A 26 9.958 6.993 -0.982 1.00 10.00 C ATOM 431 CE LYS A 26 8.977 7.239 0.171 1.00 10.00 C ATOM 432 NZ LYS A 26 8.421 8.604 -0.066 1.00 10.00 N ATOM 0 H LYS A 26 11.674 2.689 -0.971 1.00 10.00 H new ATOM 0 HA LYS A 26 12.426 5.164 -2.291 1.00 10.00 H new ATOM 0 HB2 LYS A 26 11.084 4.135 0.220 1.00 10.00 H new ATOM 0 HB3 LYS A 26 11.687 5.778 0.303 1.00 10.00 H new ATOM 0 HG2 LYS A 26 10.287 5.266 -2.245 1.00 10.00 H new ATOM 0 HG3 LYS A 26 9.251 4.950 -0.867 1.00 10.00 H new ATOM 0 HD2 LYS A 26 10.917 7.463 -0.763 1.00 10.00 H new ATOM 0 HD3 LYS A 26 9.581 7.450 -1.897 1.00 10.00 H new ATOM 0 HE2 LYS A 26 8.186 6.489 0.181 1.00 10.00 H new ATOM 0 HE3 LYS A 26 9.482 7.182 1.135 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 7.742 8.838 0.686 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 9.194 9.299 -0.062 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 7.939 8.627 -0.987 1.00 10.00 H new ATOM 446 N LEU A 27 14.600 4.048 -0.216 1.00 10.00 N ATOM 447 CA LEU A 27 15.939 4.362 0.385 1.00 10.00 C ATOM 448 C LEU A 27 16.814 5.130 -0.622 1.00 10.00 C ATOM 449 O LEU A 27 17.560 6.016 -0.253 1.00 10.00 O ATOM 450 CB LEU A 27 16.563 3.002 0.713 1.00 10.00 C ATOM 451 CG LEU A 27 17.804 3.200 1.592 1.00 10.00 C ATOM 452 CD1 LEU A 27 17.865 2.097 2.651 1.00 10.00 C ATOM 453 CD2 LEU A 27 19.064 3.139 0.723 1.00 10.00 C ATOM 0 H LEU A 27 14.334 3.064 -0.184 1.00 10.00 H new ATOM 0 HA LEU A 27 15.851 4.992 1.270 1.00 10.00 H new ATOM 0 HB2 LEU A 27 15.837 2.373 1.229 1.00 10.00 H new ATOM 0 HB3 LEU A 27 16.836 2.485 -0.207 1.00 10.00 H new ATOM 0 HG LEU A 27 17.746 4.172 2.082 1.00 10.00 H new ATOM 0 HD11 LEU A 27 18.748 2.240 3.274 1.00 10.00 H new ATOM 0 HD12 LEU A 27 16.971 2.140 3.273 1.00 10.00 H new ATOM 0 HD13 LEU A 27 17.920 1.125 2.161 1.00 10.00 H new ATOM 0 HD21 LEU A 27 19.945 3.280 1.349 1.00 10.00 H new ATOM 0 HD22 LEU A 27 19.120 2.168 0.231 1.00 10.00 H new ATOM 0 HD23 LEU A 27 19.025 3.926 -0.030 1.00 10.00 H new ATOM 465 N MET A 28 16.717 4.797 -1.889 1.00 10.00 N ATOM 466 CA MET A 28 17.530 5.506 -2.923 1.00 10.00 C ATOM 467 C MET A 28 16.609 6.333 -3.836 1.00 10.00 C ATOM 468 O MET A 28 16.136 5.842 -4.845 1.00 10.00 O ATOM 469 CB MET A 28 18.227 4.392 -3.712 1.00 10.00 C ATOM 470 CG MET A 28 19.513 4.934 -4.340 1.00 10.00 C ATOM 471 SD MET A 28 20.231 3.677 -5.428 1.00 10.00 S ATOM 472 CE MET A 28 21.654 4.645 -5.985 1.00 10.00 C ATOM 0 H MET A 28 16.108 4.063 -2.249 1.00 10.00 H new ATOM 0 HA MET A 28 18.249 6.200 -2.488 1.00 10.00 H new ATOM 0 HB2 MET A 28 18.457 3.555 -3.053 1.00 10.00 H new ATOM 0 HB3 MET A 28 17.563 4.013 -4.489 1.00 10.00 H new ATOM 0 HG2 MET A 28 19.300 5.841 -4.906 1.00 10.00 H new ATOM 0 HG3 MET A 28 20.225 5.205 -3.560 1.00 10.00 H new ATOM 0 HE1 MET A 28 22.249 4.051 -6.679 1.00 10.00 H new ATOM 0 HE2 MET A 28 21.306 5.548 -6.486 1.00 10.00 H new ATOM 0 HE3 MET A 28 22.266 4.919 -5.126 1.00 10.00 H new ATOM 482 N PRO A 29 16.377 7.566 -3.444 1.00 10.00 N ATOM 483 CA PRO A 29 15.498 8.465 -4.236 1.00 10.00 C ATOM 484 C PRO A 29 16.191 8.929 -5.524 1.00 10.00 C ATOM 485 O PRO A 29 17.310 8.549 -5.816 1.00 10.00 O ATOM 486 CB PRO A 29 15.252 9.645 -3.299 1.00 10.00 C ATOM 487 CG PRO A 29 16.419 9.653 -2.365 1.00 10.00 C ATOM 488 CD PRO A 29 16.902 8.230 -2.243 1.00 10.00 C ATOM 0 HA PRO A 29 14.579 7.975 -4.556 1.00 10.00 H new ATOM 0 HB2 PRO A 29 15.185 10.581 -3.854 1.00 10.00 H new ATOM 0 HB3 PRO A 29 14.314 9.528 -2.756 1.00 10.00 H new ATOM 0 HG2 PRO A 29 17.212 10.297 -2.745 1.00 10.00 H new ATOM 0 HG3 PRO A 29 16.129 10.046 -1.390 1.00 10.00 H new ATOM 0 HD2 PRO A 29 17.990 8.181 -2.205 1.00 10.00 H new ATOM 0 HD3 PRO A 29 16.529 7.760 -1.333 1.00 10.00 H new ATOM 496 N GLN A 30 15.524 9.754 -6.293 1.00 10.00 N ATOM 497 CA GLN A 30 16.123 10.256 -7.567 1.00 10.00 C ATOM 498 C GLN A 30 15.706 11.710 -7.817 1.00 10.00 C ATOM 499 O GLN A 30 16.537 12.569 -8.046 1.00 10.00 O ATOM 500 CB GLN A 30 15.562 9.339 -8.661 1.00 10.00 C ATOM 501 CG GLN A 30 16.620 8.304 -9.058 1.00 10.00 C ATOM 502 CD GLN A 30 17.658 8.957 -9.974 1.00 10.00 C ATOM 503 OE1 GLN A 30 18.681 9.424 -9.514 1.00 10.00 O ATOM 504 NE2 GLN A 30 17.439 9.011 -11.259 1.00 10.00 N ATOM 0 H GLN A 30 14.587 10.102 -6.092 1.00 10.00 H new ATOM 0 HA GLN A 30 17.213 10.241 -7.542 1.00 10.00 H new ATOM 0 HB2 GLN A 30 14.664 8.836 -8.303 1.00 10.00 H new ATOM 0 HB3 GLN A 30 15.272 9.929 -9.530 1.00 10.00 H new ATOM 0 HG2 GLN A 30 17.106 7.905 -8.167 1.00 10.00 H new ATOM 0 HG3 GLN A 30 16.148 7.464 -9.567 1.00 10.00 H new ATOM 0 HE21 GLN A 30 16.581 8.619 -11.647 1.00 10.00 H new ATOM 0 HE22 GLN A 30 18.126 9.445 -11.876 1.00 10.00 H new ATOM 513 N LEU A 31 14.426 11.993 -7.775 1.00 10.00 N ATOM 514 CA LEU A 31 13.951 13.392 -8.009 1.00 10.00 C ATOM 515 C LEU A 31 13.606 14.066 -6.675 1.00 10.00 C ATOM 516 O LEU A 31 14.058 15.179 -6.464 1.00 10.00 O ATOM 517 CB LEU A 31 12.701 13.254 -8.883 1.00 10.00 C ATOM 518 CG LEU A 31 13.109 12.924 -10.322 1.00 10.00 C ATOM 519 CD1 LEU A 31 11.945 12.241 -11.040 1.00 10.00 C ATOM 520 CD2 LEU A 31 13.472 14.216 -11.058 1.00 10.00 C ATOM 521 OXT LEU A 31 12.894 13.459 -5.890 1.00 10.00 O ATOM 0 H LEU A 31 13.689 11.313 -7.588 1.00 10.00 H new ATOM 0 HA LEU A 31 14.712 14.008 -8.488 1.00 10.00 H new ATOM 0 HB2 LEU A 31 12.055 12.469 -8.489 1.00 10.00 H new ATOM 0 HB3 LEU A 31 12.127 14.180 -8.861 1.00 10.00 H new ATOM 0 HG LEU A 31 13.970 12.256 -10.310 1.00 10.00 H new ATOM 0 HD11 LEU A 31 12.236 12.007 -12.064 1.00 10.00 H new ATOM 0 HD12 LEU A 31 11.685 11.321 -10.517 1.00 10.00 H new ATOM 0 HD13 LEU A 31 11.083 12.908 -11.052 1.00 10.00 H new ATOM 0 HD21 LEU A 31 13.763 13.982 -12.082 1.00 10.00 H new ATOM 0 HD22 LEU A 31 12.610 14.883 -11.069 1.00 10.00 H new ATOM 0 HD23 LEU A 31 14.302 14.704 -10.548 1.00 10.00 H new TER 533 LEU A 31