USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=7 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 49:sc= 0.0926 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.0374) USER MOD Single : A 21 THR OG1 : rot 88:sc= 0.147 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 -160:sc= 0 (180deg=-0.0102) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -26.251 1.204 -4.765 1.00 10.00 N ATOM 2 CA SER A 1 -26.129 -0.028 -5.605 1.00 10.00 C ATOM 3 C SER A 1 -24.876 -0.826 -5.211 1.00 10.00 C ATOM 4 O SER A 1 -24.967 -1.975 -4.823 1.00 10.00 O ATOM 5 CB SER A 1 -26.019 0.475 -7.048 1.00 10.00 C ATOM 6 OG SER A 1 -26.274 -0.602 -7.941 1.00 10.00 O ATOM 0 H1 SER A 1 -27.103 1.732 -5.044 1.00 10.00 H new ATOM 0 H2 SER A 1 -26.323 0.935 -3.763 1.00 10.00 H new ATOM 0 H3 SER A 1 -25.412 1.803 -4.903 1.00 10.00 H new ATOM 0 HA SER A 1 -26.980 -0.696 -5.474 1.00 10.00 H new ATOM 0 HB2 SER A 1 -26.732 1.282 -7.220 1.00 10.00 H new ATOM 0 HB3 SER A 1 -25.025 0.884 -7.228 1.00 10.00 H new ATOM 0 HG SER A 1 -26.206 -0.284 -8.865 1.00 10.00 H new ATOM 14 N GLY A 2 -23.712 -0.226 -5.306 1.00 10.00 N ATOM 15 CA GLY A 2 -22.457 -0.951 -4.936 1.00 10.00 C ATOM 16 C GLY A 2 -21.932 -0.437 -3.591 1.00 10.00 C ATOM 17 O GLY A 2 -22.518 0.434 -2.974 1.00 10.00 O ATOM 0 H GLY A 2 -23.579 0.734 -5.624 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -22.650 -2.022 -4.875 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -21.702 -0.807 -5.709 1.00 10.00 H new ATOM 21 N SER A 3 -20.823 -0.969 -3.132 1.00 10.00 N ATOM 22 CA SER A 3 -20.250 -0.515 -1.827 1.00 10.00 C ATOM 23 C SER A 3 -19.064 0.429 -2.069 1.00 10.00 C ATOM 24 O SER A 3 -17.968 0.000 -2.382 1.00 10.00 O ATOM 25 CB SER A 3 -19.796 -1.794 -1.108 1.00 10.00 C ATOM 26 OG SER A 3 -19.206 -2.694 -2.043 1.00 10.00 O ATOM 0 H SER A 3 -20.291 -1.698 -3.606 1.00 10.00 H new ATOM 0 HA SER A 3 -20.976 0.038 -1.231 1.00 10.00 H new ATOM 0 HB2 SER A 3 -19.078 -1.546 -0.326 1.00 10.00 H new ATOM 0 HB3 SER A 3 -20.647 -2.269 -0.621 1.00 10.00 H new ATOM 0 HG SER A 3 -18.547 -2.215 -2.588 1.00 10.00 H new ATOM 32 N TRP A 4 -19.281 1.714 -1.924 1.00 10.00 N ATOM 33 CA TRP A 4 -18.175 2.700 -2.143 1.00 10.00 C ATOM 34 C TRP A 4 -17.088 2.541 -1.073 1.00 10.00 C ATOM 35 O TRP A 4 -15.917 2.746 -1.338 1.00 10.00 O ATOM 36 CB TRP A 4 -18.834 4.078 -2.044 1.00 10.00 C ATOM 37 CG TRP A 4 -18.696 4.788 -3.352 1.00 10.00 C ATOM 38 CD1 TRP A 4 -19.725 5.234 -4.107 1.00 10.00 C ATOM 39 CD2 TRP A 4 -17.477 5.135 -4.074 1.00 10.00 C ATOM 40 NE1 TRP A 4 -19.219 5.833 -5.245 1.00 10.00 N ATOM 41 CE2 TRP A 4 -17.838 5.798 -5.271 1.00 10.00 C ATOM 42 CE3 TRP A 4 -16.110 4.942 -3.810 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -16.875 6.253 -6.173 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -15.139 5.399 -4.716 1.00 10.00 C ATOM 45 CH2 TRP A 4 -15.521 6.052 -5.895 1.00 10.00 C ATOM 0 H TRP A 4 -20.178 2.124 -1.663 1.00 10.00 H new ATOM 0 HA TRP A 4 -17.687 2.553 -3.107 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -19.887 3.972 -1.784 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -18.367 4.661 -1.250 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -20.772 5.138 -3.861 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -19.795 6.250 -5.976 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -15.804 4.439 -2.905 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -17.175 6.757 -7.080 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -14.091 5.246 -4.502 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -14.769 6.400 -6.588 1.00 10.00 H new ATOM 56 N LEU A 5 -17.461 2.168 0.131 1.00 10.00 N ATOM 57 CA LEU A 5 -16.441 1.981 1.211 1.00 10.00 C ATOM 58 C LEU A 5 -15.430 0.909 0.786 1.00 10.00 C ATOM 59 O LEU A 5 -14.240 1.056 0.985 1.00 10.00 O ATOM 60 CB LEU A 5 -17.228 1.523 2.446 1.00 10.00 C ATOM 61 CG LEU A 5 -17.444 2.710 3.389 1.00 10.00 C ATOM 62 CD1 LEU A 5 -18.661 3.517 2.931 1.00 10.00 C ATOM 63 CD2 LEU A 5 -17.682 2.195 4.811 1.00 10.00 C ATOM 0 H LEU A 5 -18.425 1.986 0.410 1.00 10.00 H new ATOM 0 HA LEU A 5 -15.881 2.894 1.414 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -18.189 1.107 2.143 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -16.686 0.730 2.962 1.00 10.00 H new ATOM 0 HG LEU A 5 -16.560 3.348 3.374 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -18.812 4.361 3.604 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -18.493 3.885 1.919 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -19.546 2.880 2.943 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -17.836 3.039 5.483 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -18.565 1.556 4.823 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -16.815 1.622 5.141 1.00 10.00 H new ATOM 75 N ARG A 6 -15.901 -0.159 0.182 1.00 10.00 N ATOM 76 CA ARG A 6 -14.976 -1.239 -0.282 1.00 10.00 C ATOM 77 C ARG A 6 -14.119 -0.720 -1.444 1.00 10.00 C ATOM 78 O ARG A 6 -12.954 -1.046 -1.556 1.00 10.00 O ATOM 79 CB ARG A 6 -15.889 -2.376 -0.750 1.00 10.00 C ATOM 80 CG ARG A 6 -15.149 -3.712 -0.642 1.00 10.00 C ATOM 81 CD ARG A 6 -16.140 -4.816 -0.260 1.00 10.00 C ATOM 82 NE ARG A 6 -15.401 -6.094 -0.469 1.00 10.00 N ATOM 83 CZ ARG A 6 -16.051 -7.179 -0.799 1.00 10.00 C ATOM 84 NH1 ARG A 6 -16.352 -7.403 -2.052 1.00 10.00 N ATOM 85 NH2 ARG A 6 -16.398 -8.037 0.124 1.00 10.00 N ATOM 0 H ARG A 6 -16.889 -0.327 -0.009 1.00 10.00 H new ATOM 0 HA ARG A 6 -14.294 -1.570 0.501 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -16.794 -2.401 -0.143 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -16.200 -2.204 -1.780 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -14.669 -3.952 -1.591 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -14.359 -3.643 0.106 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -16.464 -4.713 0.776 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -17.036 -4.773 -0.880 1.00 10.00 H new ATOM 0 HE ARG A 6 -14.388 -6.122 -0.354 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -16.080 -6.732 -2.770 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -16.859 -8.249 -2.311 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -16.162 -7.859 1.100 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -16.905 -8.884 -0.132 1.00 10.00 H new ATOM 99 N ASP A 7 -14.693 0.093 -2.301 1.00 10.00 N ATOM 100 CA ASP A 7 -13.923 0.654 -3.458 1.00 10.00 C ATOM 101 C ASP A 7 -12.711 1.453 -2.956 1.00 10.00 C ATOM 102 O ASP A 7 -11.650 1.423 -3.550 1.00 10.00 O ATOM 103 CB ASP A 7 -14.911 1.580 -4.179 1.00 10.00 C ATOM 104 CG ASP A 7 -14.411 1.872 -5.595 1.00 10.00 C ATOM 105 OD1 ASP A 7 -13.572 2.749 -5.738 1.00 10.00 O ATOM 106 OD2 ASP A 7 -14.874 1.214 -6.511 1.00 10.00 O ATOM 0 H ASP A 7 -15.666 0.393 -2.248 1.00 10.00 H new ATOM 0 HA ASP A 7 -13.539 -0.127 -4.114 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -15.896 1.114 -4.220 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -15.022 2.511 -3.624 1.00 10.00 H new ATOM 111 N ILE A 8 -12.863 2.165 -1.866 1.00 10.00 N ATOM 112 CA ILE A 8 -11.723 2.966 -1.321 1.00 10.00 C ATOM 113 C ILE A 8 -10.870 2.102 -0.377 1.00 10.00 C ATOM 114 O ILE A 8 -9.655 2.133 -0.431 1.00 10.00 O ATOM 115 CB ILE A 8 -12.380 4.130 -0.565 1.00 10.00 C ATOM 116 CG1 ILE A 8 -12.959 5.126 -1.577 1.00 10.00 C ATOM 117 CG2 ILE A 8 -11.339 4.843 0.305 1.00 10.00 C ATOM 118 CD1 ILE A 8 -14.163 5.842 -0.964 1.00 10.00 C ATOM 0 H ILE A 8 -13.728 2.226 -1.330 1.00 10.00 H new ATOM 0 HA ILE A 8 -11.053 3.324 -2.103 1.00 10.00 H new ATOM 0 HB ILE A 8 -13.175 3.741 0.072 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -12.198 5.853 -1.863 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -13.258 4.604 -2.486 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -11.813 5.667 0.838 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -10.922 4.138 1.024 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -10.541 5.231 -0.327 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -14.572 6.549 -1.686 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -14.926 5.110 -0.701 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -13.850 6.378 -0.068 1.00 10.00 H new ATOM 130 N TRP A 9 -11.500 1.332 0.481 1.00 10.00 N ATOM 131 CA TRP A 9 -10.728 0.463 1.428 1.00 10.00 C ATOM 132 C TRP A 9 -9.844 -0.525 0.654 1.00 10.00 C ATOM 133 O TRP A 9 -8.718 -0.783 1.037 1.00 10.00 O ATOM 134 CB TRP A 9 -11.786 -0.284 2.248 1.00 10.00 C ATOM 135 CG TRP A 9 -11.117 -1.059 3.342 1.00 10.00 C ATOM 136 CD1 TRP A 9 -11.339 -2.366 3.616 1.00 10.00 C ATOM 137 CD2 TRP A 9 -10.127 -0.601 4.310 1.00 10.00 C ATOM 138 NE1 TRP A 9 -10.546 -2.739 4.686 1.00 10.00 N ATOM 139 CE2 TRP A 9 -9.782 -1.687 5.149 1.00 10.00 C ATOM 140 CE3 TRP A 9 -9.500 0.638 4.538 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -8.848 -1.548 6.178 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -8.560 0.781 5.571 1.00 10.00 C ATOM 143 CH2 TRP A 9 -8.235 -0.311 6.389 1.00 10.00 C ATOM 0 H TRP A 9 -12.514 1.268 0.566 1.00 10.00 H new ATOM 0 HA TRP A 9 -10.062 1.046 2.064 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -12.498 0.423 2.673 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -12.351 -0.958 1.604 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -12.023 -3.012 3.086 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -10.528 -3.678 5.085 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -9.744 1.485 3.914 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -8.601 -2.391 6.806 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -8.085 1.737 5.737 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -7.511 -0.195 7.182 1.00 10.00 H new ATOM 154 N ASP A 10 -10.340 -1.071 -0.431 1.00 10.00 N ATOM 155 CA ASP A 10 -9.522 -2.035 -1.233 1.00 10.00 C ATOM 156 C ASP A 10 -8.237 -1.355 -1.721 1.00 10.00 C ATOM 157 O ASP A 10 -7.155 -1.897 -1.599 1.00 10.00 O ATOM 158 CB ASP A 10 -10.410 -2.431 -2.418 1.00 10.00 C ATOM 159 CG ASP A 10 -9.615 -3.304 -3.392 1.00 10.00 C ATOM 160 OD1 ASP A 10 -9.234 -4.397 -3.004 1.00 10.00 O ATOM 161 OD2 ASP A 10 -9.404 -2.867 -4.511 1.00 10.00 O ATOM 0 H ASP A 10 -11.275 -0.891 -0.795 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.220 -2.905 -0.650 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -11.287 -2.972 -2.062 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -10.772 -1.538 -2.928 1.00 10.00 H new ATOM 166 N TRP A 11 -8.351 -0.166 -2.265 1.00 10.00 N ATOM 167 CA TRP A 11 -7.140 0.562 -2.754 1.00 10.00 C ATOM 168 C TRP A 11 -6.192 0.852 -1.582 1.00 10.00 C ATOM 169 O TRP A 11 -4.991 0.705 -1.700 1.00 10.00 O ATOM 170 CB TRP A 11 -7.672 1.864 -3.363 1.00 10.00 C ATOM 171 CG TRP A 11 -6.527 2.744 -3.758 1.00 10.00 C ATOM 172 CD1 TRP A 11 -5.841 2.652 -4.919 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.924 3.839 -3.009 1.00 10.00 C ATOM 174 NE1 TRP A 11 -4.853 3.621 -4.931 1.00 10.00 N ATOM 175 CE2 TRP A 11 -4.866 4.379 -3.778 1.00 10.00 C ATOM 176 CE3 TRP A 11 -6.190 4.411 -1.753 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -4.097 5.448 -3.315 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -5.419 5.487 -1.284 1.00 10.00 C ATOM 179 CH2 TRP A 11 -4.376 6.004 -2.063 1.00 10.00 C ATOM 0 H TRP A 11 -9.233 0.331 -2.391 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.573 -0.018 -3.483 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -8.290 1.643 -4.233 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -8.308 2.380 -2.643 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -6.032 1.939 -5.708 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -4.195 3.758 -5.699 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -6.992 4.021 -1.145 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -3.293 5.842 -3.919 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -5.632 5.918 -0.317 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -3.787 6.832 -1.696 1.00 10.00 H new ATOM 190 N ILE A 12 -6.724 1.253 -0.450 1.00 10.00 N ATOM 191 CA ILE A 12 -5.850 1.537 0.734 1.00 10.00 C ATOM 192 C ILE A 12 -5.052 0.275 1.101 1.00 10.00 C ATOM 193 O ILE A 12 -3.902 0.350 1.495 1.00 10.00 O ATOM 194 CB ILE A 12 -6.813 1.931 1.866 1.00 10.00 C ATOM 195 CG1 ILE A 12 -7.383 3.328 1.588 1.00 10.00 C ATOM 196 CG2 ILE A 12 -6.065 1.949 3.204 1.00 10.00 C ATOM 197 CD1 ILE A 12 -8.564 3.599 2.524 1.00 10.00 C ATOM 0 H ILE A 12 -7.722 1.395 -0.295 1.00 10.00 H new ATOM 0 HA ILE A 12 -5.126 2.328 0.540 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.624 1.204 1.915 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.610 4.082 1.734 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.706 3.400 0.549 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -6.753 2.229 4.002 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -5.658 0.958 3.407 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.251 2.673 3.156 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.966 4.592 2.324 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.340 2.852 2.356 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.227 3.546 3.559 1.00 10.00 H new ATOM 209 N CYS A 13 -5.654 -0.882 0.959 1.00 10.00 N ATOM 210 CA CYS A 13 -4.939 -2.155 1.282 1.00 10.00 C ATOM 211 C CYS A 13 -3.867 -2.444 0.222 1.00 10.00 C ATOM 212 O CYS A 13 -2.780 -2.895 0.536 1.00 10.00 O ATOM 213 CB CYS A 13 -6.024 -3.238 1.265 1.00 10.00 C ATOM 214 SG CYS A 13 -5.365 -4.768 1.972 1.00 10.00 S ATOM 0 H CYS A 13 -6.613 -0.998 0.632 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.428 -2.110 2.244 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -6.892 -2.906 1.835 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.361 -3.413 0.243 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.287 -5.685 1.959 1.00 10.00 H new ATOM 220 N GLU A 14 -4.161 -2.179 -1.032 1.00 10.00 N ATOM 221 CA GLU A 14 -3.157 -2.428 -2.111 1.00 10.00 C ATOM 222 C GLU A 14 -1.940 -1.517 -1.915 1.00 10.00 C ATOM 223 O GLU A 14 -0.808 -1.941 -2.057 1.00 10.00 O ATOM 224 CB GLU A 14 -3.883 -2.094 -3.418 1.00 10.00 C ATOM 225 CG GLU A 14 -4.322 -3.391 -4.109 1.00 10.00 C ATOM 226 CD GLU A 14 -3.468 -3.627 -5.359 1.00 10.00 C ATOM 227 OE1 GLU A 14 -2.375 -4.148 -5.215 1.00 10.00 O ATOM 228 OE2 GLU A 14 -3.922 -3.283 -6.438 1.00 10.00 O ATOM 0 H GLU A 14 -5.053 -1.801 -1.351 1.00 10.00 H new ATOM 0 HA GLU A 14 -2.789 -3.454 -2.107 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -4.751 -1.467 -3.214 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -3.226 -1.524 -4.075 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -4.220 -4.232 -3.423 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -5.375 -3.330 -4.383 1.00 10.00 H new ATOM 235 N VAL A 15 -2.172 -0.275 -1.575 1.00 10.00 N ATOM 236 CA VAL A 15 -1.037 0.675 -1.348 1.00 10.00 C ATOM 237 C VAL A 15 -0.247 0.256 -0.100 1.00 10.00 C ATOM 238 O VAL A 15 0.958 0.408 -0.044 1.00 10.00 O ATOM 239 CB VAL A 15 -1.685 2.051 -1.142 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.601 3.097 -0.861 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.457 2.455 -2.404 1.00 10.00 C ATOM 0 H VAL A 15 -3.101 0.125 -1.444 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.338 0.686 -2.184 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.370 1.997 -0.296 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -1.065 4.072 -0.715 1.00 10.00 H new ATOM 0 HG12 VAL A 15 -0.051 2.819 0.038 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.086 3.145 -1.706 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.915 3.432 -2.253 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.772 2.502 -3.250 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -3.234 1.718 -2.607 1.00 10.00 H new ATOM 251 N LEU A 16 -0.920 -0.277 0.898 1.00 10.00 N ATOM 252 CA LEU A 16 -0.210 -0.719 2.141 1.00 10.00 C ATOM 253 C LEU A 16 0.802 -1.819 1.798 1.00 10.00 C ATOM 254 O LEU A 16 1.932 -1.793 2.249 1.00 10.00 O ATOM 255 CB LEU A 16 -1.310 -1.262 3.062 1.00 10.00 C ATOM 256 CG LEU A 16 -0.733 -1.530 4.456 1.00 10.00 C ATOM 257 CD1 LEU A 16 -1.666 -0.949 5.520 1.00 10.00 C ATOM 258 CD2 LEU A 16 -0.595 -3.040 4.671 1.00 10.00 C ATOM 0 H LEU A 16 -1.929 -0.424 0.903 1.00 10.00 H new ATOM 0 HA LEU A 16 0.345 0.092 2.614 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.128 -0.545 3.129 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.724 -2.181 2.647 1.00 10.00 H new ATOM 0 HG LEU A 16 0.247 -1.059 4.537 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.253 -1.141 6.510 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -1.764 0.126 5.370 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.647 -1.417 5.439 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -0.185 -3.230 5.663 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -1.575 -3.510 4.587 1.00 10.00 H new ATOM 0 HD23 LEU A 16 0.073 -3.455 3.916 1.00 10.00 H new ATOM 270 N SER A 17 0.407 -2.772 0.985 1.00 10.00 N ATOM 271 CA SER A 17 1.351 -3.862 0.591 1.00 10.00 C ATOM 272 C SER A 17 2.509 -3.262 -0.214 1.00 10.00 C ATOM 273 O SER A 17 3.654 -3.637 -0.046 1.00 10.00 O ATOM 274 CB SER A 17 0.530 -4.821 -0.273 1.00 10.00 C ATOM 275 OG SER A 17 -0.121 -5.766 0.568 1.00 10.00 O ATOM 0 H SER A 17 -0.526 -2.840 0.579 1.00 10.00 H new ATOM 0 HA SER A 17 1.780 -4.376 1.451 1.00 10.00 H new ATOM 0 HB2 SER A 17 -0.206 -4.266 -0.855 1.00 10.00 H new ATOM 0 HB3 SER A 17 1.177 -5.334 -0.984 1.00 10.00 H new ATOM 0 HG SER A 17 -0.650 -6.382 0.020 1.00 10.00 H new ATOM 281 N ASP A 18 2.215 -2.311 -1.071 1.00 10.00 N ATOM 282 CA ASP A 18 3.294 -1.660 -1.869 1.00 10.00 C ATOM 283 C ASP A 18 4.175 -0.822 -0.941 1.00 10.00 C ATOM 284 O ASP A 18 5.382 -0.814 -1.067 1.00 10.00 O ATOM 285 CB ASP A 18 2.572 -0.765 -2.880 1.00 10.00 C ATOM 286 CG ASP A 18 3.603 0.029 -3.687 1.00 10.00 C ATOM 287 OD1 ASP A 18 4.053 -0.482 -4.699 1.00 10.00 O ATOM 288 OD2 ASP A 18 3.926 1.133 -3.279 1.00 10.00 O ATOM 0 H ASP A 18 1.274 -1.961 -1.249 1.00 10.00 H new ATOM 0 HA ASP A 18 3.937 -2.384 -2.370 1.00 10.00 H new ATOM 0 HB2 ASP A 18 1.961 -1.372 -3.548 1.00 10.00 H new ATOM 0 HB3 ASP A 18 1.897 -0.084 -2.362 1.00 10.00 H new ATOM 293 N PHE A 19 3.574 -0.129 0.001 1.00 10.00 N ATOM 294 CA PHE A 19 4.370 0.702 0.959 1.00 10.00 C ATOM 295 C PHE A 19 5.453 -0.164 1.605 1.00 10.00 C ATOM 296 O PHE A 19 6.595 0.238 1.718 1.00 10.00 O ATOM 297 CB PHE A 19 3.367 1.179 2.014 1.00 10.00 C ATOM 298 CG PHE A 19 3.563 2.656 2.270 1.00 10.00 C ATOM 299 CD1 PHE A 19 4.754 3.115 2.843 1.00 10.00 C ATOM 300 CD2 PHE A 19 2.551 3.565 1.934 1.00 10.00 C ATOM 301 CE1 PHE A 19 4.936 4.482 3.080 1.00 10.00 C ATOM 302 CE2 PHE A 19 2.734 4.933 2.172 1.00 10.00 C ATOM 303 CZ PHE A 19 3.925 5.391 2.744 1.00 10.00 C ATOM 0 H PHE A 19 2.565 -0.105 0.146 1.00 10.00 H new ATOM 0 HA PHE A 19 4.866 1.541 0.471 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.349 0.991 1.673 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.503 0.618 2.939 1.00 10.00 H new ATOM 0 HD1 PHE A 19 5.533 2.414 3.103 1.00 10.00 H new ATOM 0 HD2 PHE A 19 1.631 3.211 1.492 1.00 10.00 H new ATOM 0 HE1 PHE A 19 5.856 4.836 3.522 1.00 10.00 H new ATOM 0 HE2 PHE A 19 1.955 5.635 1.914 1.00 10.00 H new ATOM 0 HZ PHE A 19 4.065 6.446 2.927 1.00 10.00 H new ATOM 313 N LYS A 20 5.099 -1.361 2.011 1.00 10.00 N ATOM 314 CA LYS A 20 6.104 -2.277 2.632 1.00 10.00 C ATOM 315 C LYS A 20 7.203 -2.602 1.612 1.00 10.00 C ATOM 316 O LYS A 20 8.378 -2.532 1.915 1.00 10.00 O ATOM 317 CB LYS A 20 5.317 -3.539 3.006 1.00 10.00 C ATOM 318 CG LYS A 20 6.227 -4.509 3.766 1.00 10.00 C ATOM 319 CD LYS A 20 6.206 -4.171 5.261 1.00 10.00 C ATOM 320 CE LYS A 20 6.323 -5.460 6.081 1.00 10.00 C ATOM 321 NZ LYS A 20 4.945 -6.032 6.111 1.00 10.00 N ATOM 0 H LYS A 20 4.156 -1.742 1.938 1.00 10.00 H new ATOM 0 HA LYS A 20 6.592 -1.838 3.502 1.00 10.00 H new ATOM 0 HB2 LYS A 20 4.457 -3.274 3.621 1.00 10.00 H new ATOM 0 HB3 LYS A 20 4.930 -4.018 2.107 1.00 10.00 H new ATOM 0 HG2 LYS A 20 5.893 -5.535 3.610 1.00 10.00 H new ATOM 0 HG3 LYS A 20 7.245 -4.444 3.383 1.00 10.00 H new ATOM 0 HD2 LYS A 20 7.028 -3.498 5.504 1.00 10.00 H new ATOM 0 HD3 LYS A 20 5.282 -3.650 5.513 1.00 10.00 H new ATOM 0 HE2 LYS A 20 7.028 -6.155 5.624 1.00 10.00 H new ATOM 0 HE3 LYS A 20 6.686 -5.254 7.088 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 4.654 -6.184 7.098 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 4.285 -5.372 5.653 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 4.935 -6.940 5.603 1.00 10.00 H new ATOM 335 N THR A 21 6.824 -2.941 0.400 1.00 10.00 N ATOM 336 CA THR A 21 7.843 -3.255 -0.652 1.00 10.00 C ATOM 337 C THR A 21 8.651 -1.998 -0.988 1.00 10.00 C ATOM 338 O THR A 21 9.849 -2.060 -1.176 1.00 10.00 O ATOM 339 CB THR A 21 7.037 -3.723 -1.872 1.00 10.00 C ATOM 340 OG1 THR A 21 6.200 -4.808 -1.497 1.00 10.00 O ATOM 341 CG2 THR A 21 7.989 -4.173 -2.983 1.00 10.00 C ATOM 0 H THR A 21 5.853 -3.013 0.096 1.00 10.00 H new ATOM 0 HA THR A 21 8.553 -4.015 -0.325 1.00 10.00 H new ATOM 0 HB THR A 21 6.426 -2.898 -2.237 1.00 10.00 H new ATOM 0 HG1 THR A 21 5.348 -4.462 -1.159 1.00 10.00 H new ATOM 0 HG21 THR A 21 7.411 -4.504 -3.846 1.00 10.00 H new ATOM 0 HG22 THR A 21 8.629 -3.340 -3.273 1.00 10.00 H new ATOM 0 HG23 THR A 21 8.606 -4.996 -2.622 1.00 10.00 H new ATOM 349 N TRP A 22 8.002 -0.858 -1.052 1.00 10.00 N ATOM 350 CA TRP A 22 8.727 0.414 -1.358 1.00 10.00 C ATOM 351 C TRP A 22 9.874 0.601 -0.361 1.00 10.00 C ATOM 352 O TRP A 22 10.996 0.882 -0.736 1.00 10.00 O ATOM 353 CB TRP A 22 7.682 1.518 -1.181 1.00 10.00 C ATOM 354 CG TRP A 22 8.097 2.732 -1.948 1.00 10.00 C ATOM 355 CD1 TRP A 22 7.669 3.053 -3.190 1.00 10.00 C ATOM 356 CD2 TRP A 22 9.012 3.790 -1.542 1.00 10.00 C ATOM 357 NE1 TRP A 22 8.265 4.242 -3.573 1.00 10.00 N ATOM 358 CE2 TRP A 22 9.101 4.735 -2.592 1.00 10.00 C ATOM 359 CE3 TRP A 22 9.767 4.018 -0.378 1.00 10.00 C ATOM 360 CZ2 TRP A 22 9.911 5.866 -2.488 1.00 10.00 C ATOM 361 CZ3 TRP A 22 10.582 5.155 -0.270 1.00 10.00 C ATOM 362 CH2 TRP A 22 10.655 6.078 -1.323 1.00 10.00 C ATOM 0 H TRP A 22 6.998 -0.756 -0.905 1.00 10.00 H new ATOM 0 HA TRP A 22 9.158 0.421 -2.359 1.00 10.00 H new ATOM 0 HB2 TRP A 22 6.709 1.171 -1.530 1.00 10.00 H new ATOM 0 HB3 TRP A 22 7.573 1.763 -0.125 1.00 10.00 H new ATOM 0 HD1 TRP A 22 6.976 2.476 -3.785 1.00 10.00 H new ATOM 0 HE1 TRP A 22 8.106 4.698 -4.471 1.00 10.00 H new ATOM 0 HE3 TRP A 22 9.719 3.313 0.439 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 9.963 6.574 -3.302 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 11.156 5.320 0.629 1.00 10.00 H new ATOM 0 HH2 TRP A 22 11.285 6.951 -1.235 1.00 10.00 H new ATOM 373 N LEU A 23 9.590 0.434 0.906 1.00 10.00 N ATOM 374 CA LEU A 23 10.652 0.583 1.949 1.00 10.00 C ATOM 375 C LEU A 23 11.698 -0.531 1.801 1.00 10.00 C ATOM 376 O LEU A 23 12.886 -0.294 1.916 1.00 10.00 O ATOM 377 CB LEU A 23 9.923 0.461 3.292 1.00 10.00 C ATOM 378 CG LEU A 23 9.738 1.851 3.905 1.00 10.00 C ATOM 379 CD1 LEU A 23 8.501 2.520 3.301 1.00 10.00 C ATOM 380 CD2 LEU A 23 9.554 1.719 5.420 1.00 10.00 C ATOM 0 H LEU A 23 8.664 0.200 1.265 1.00 10.00 H new ATOM 0 HA LEU A 23 11.181 1.532 1.862 1.00 10.00 H new ATOM 0 HB2 LEU A 23 8.953 -0.016 3.149 1.00 10.00 H new ATOM 0 HB3 LEU A 23 10.493 -0.174 3.970 1.00 10.00 H new ATOM 0 HG LEU A 23 10.618 2.458 3.694 1.00 10.00 H new ATOM 0 HD11 LEU A 23 8.372 3.510 3.739 1.00 10.00 H new ATOM 0 HD12 LEU A 23 8.629 2.615 2.223 1.00 10.00 H new ATOM 0 HD13 LEU A 23 7.620 1.913 3.510 1.00 10.00 H new ATOM 0 HD21 LEU A 23 9.422 2.708 5.858 1.00 10.00 H new ATOM 0 HD22 LEU A 23 8.674 1.110 5.628 1.00 10.00 H new ATOM 0 HD23 LEU A 23 10.434 1.245 5.853 1.00 10.00 H new ATOM 392 N LYS A 24 11.263 -1.744 1.537 1.00 10.00 N ATOM 393 CA LYS A 24 12.229 -2.875 1.372 1.00 10.00 C ATOM 394 C LYS A 24 13.097 -2.646 0.129 1.00 10.00 C ATOM 395 O LYS A 24 14.292 -2.870 0.152 1.00 10.00 O ATOM 396 CB LYS A 24 11.364 -4.127 1.200 1.00 10.00 C ATOM 397 CG LYS A 24 11.022 -4.707 2.576 1.00 10.00 C ATOM 398 CD LYS A 24 10.365 -6.081 2.405 1.00 10.00 C ATOM 399 CE LYS A 24 11.447 -7.168 2.357 1.00 10.00 C ATOM 400 NZ LYS A 24 10.956 -8.165 1.360 1.00 10.00 N ATOM 0 H LYS A 24 10.281 -1.997 1.429 1.00 10.00 H new ATOM 0 HA LYS A 24 12.904 -2.967 2.223 1.00 10.00 H new ATOM 0 HB2 LYS A 24 10.450 -3.879 0.661 1.00 10.00 H new ATOM 0 HB3 LYS A 24 11.894 -4.869 0.603 1.00 10.00 H new ATOM 0 HG2 LYS A 24 11.926 -4.797 3.179 1.00 10.00 H new ATOM 0 HG3 LYS A 24 10.349 -4.035 3.108 1.00 10.00 H new ATOM 0 HD2 LYS A 24 9.680 -6.273 3.231 1.00 10.00 H new ATOM 0 HD3 LYS A 24 9.774 -6.101 1.489 1.00 10.00 H new ATOM 0 HE2 LYS A 24 12.409 -6.753 2.058 1.00 10.00 H new ATOM 0 HE3 LYS A 24 11.588 -7.627 3.336 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 11.646 -8.939 1.274 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 10.042 -8.549 1.674 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 10.838 -7.703 0.436 1.00 10.00 H new ATOM 414 N ALA A 25 12.505 -2.194 -0.950 1.00 10.00 N ATOM 415 CA ALA A 25 13.290 -1.937 -2.197 1.00 10.00 C ATOM 416 C ALA A 25 14.339 -0.843 -1.953 1.00 10.00 C ATOM 417 O ALA A 25 15.432 -0.892 -2.482 1.00 10.00 O ATOM 418 CB ALA A 25 12.260 -1.470 -3.228 1.00 10.00 C ATOM 0 H ALA A 25 11.508 -1.991 -1.020 1.00 10.00 H new ATOM 0 HA ALA A 25 13.829 -2.823 -2.531 1.00 10.00 H new ATOM 0 HB1 ALA A 25 12.761 -1.261 -4.173 1.00 10.00 H new ATOM 0 HB2 ALA A 25 11.515 -2.251 -3.377 1.00 10.00 H new ATOM 0 HB3 ALA A 25 11.770 -0.565 -2.869 1.00 10.00 H new ATOM 424 N LYS A 26 14.012 0.141 -1.149 1.00 10.00 N ATOM 425 CA LYS A 26 14.986 1.240 -0.860 1.00 10.00 C ATOM 426 C LYS A 26 16.038 0.773 0.156 1.00 10.00 C ATOM 427 O LYS A 26 17.193 1.150 0.078 1.00 10.00 O ATOM 428 CB LYS A 26 14.144 2.377 -0.273 1.00 10.00 C ATOM 429 CG LYS A 26 13.515 3.191 -1.408 1.00 10.00 C ATOM 430 CD LYS A 26 14.398 4.401 -1.723 1.00 10.00 C ATOM 431 CE LYS A 26 14.195 5.480 -0.652 1.00 10.00 C ATOM 432 NZ LYS A 26 14.374 6.777 -1.364 1.00 10.00 N ATOM 0 H LYS A 26 13.111 0.230 -0.680 1.00 10.00 H new ATOM 0 HA LYS A 26 15.527 1.551 -1.754 1.00 10.00 H new ATOM 0 HB2 LYS A 26 13.365 1.970 0.371 1.00 10.00 H new ATOM 0 HB3 LYS A 26 14.767 3.021 0.348 1.00 10.00 H new ATOM 0 HG2 LYS A 26 13.403 2.569 -2.296 1.00 10.00 H new ATOM 0 HG3 LYS A 26 12.516 3.521 -1.122 1.00 10.00 H new ATOM 0 HD2 LYS A 26 15.445 4.101 -1.757 1.00 10.00 H new ATOM 0 HD3 LYS A 26 14.149 4.799 -2.707 1.00 10.00 H new ATOM 0 HE2 LYS A 26 13.203 5.410 -0.205 1.00 10.00 H new ATOM 0 HE3 LYS A 26 14.917 5.372 0.157 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 14.249 7.562 -0.693 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 15.329 6.820 -1.773 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 13.669 6.856 -2.124 1.00 10.00 H new ATOM 446 N LEU A 27 15.645 -0.039 1.108 1.00 10.00 N ATOM 447 CA LEU A 27 16.618 -0.532 2.133 1.00 10.00 C ATOM 448 C LEU A 27 17.474 -1.676 1.566 1.00 10.00 C ATOM 449 O LEU A 27 18.608 -1.858 1.964 1.00 10.00 O ATOM 450 CB LEU A 27 15.753 -1.033 3.294 1.00 10.00 C ATOM 451 CG LEU A 27 16.635 -1.284 4.522 1.00 10.00 C ATOM 452 CD1 LEU A 27 16.208 -0.354 5.662 1.00 10.00 C ATOM 453 CD2 LEU A 27 16.483 -2.740 4.970 1.00 10.00 C ATOM 0 H LEU A 27 14.691 -0.382 1.219 1.00 10.00 H new ATOM 0 HA LEU A 27 17.311 0.250 2.445 1.00 10.00 H new ATOM 0 HB2 LEU A 27 14.983 -0.298 3.531 1.00 10.00 H new ATOM 0 HB3 LEU A 27 15.240 -1.951 3.008 1.00 10.00 H new ATOM 0 HG LEU A 27 17.676 -1.087 4.265 1.00 10.00 H new ATOM 0 HD11 LEU A 27 16.837 -0.535 6.534 1.00 10.00 H new ATOM 0 HD12 LEU A 27 16.316 0.683 5.345 1.00 10.00 H new ATOM 0 HD13 LEU A 27 15.167 -0.548 5.919 1.00 10.00 H new ATOM 0 HD21 LEU A 27 17.110 -2.919 5.843 1.00 10.00 H new ATOM 0 HD22 LEU A 27 15.441 -2.935 5.225 1.00 10.00 H new ATOM 0 HD23 LEU A 27 16.789 -3.403 4.161 1.00 10.00 H new ATOM 465 N MET A 28 16.941 -2.446 0.646 1.00 10.00 N ATOM 466 CA MET A 28 17.726 -3.578 0.059 1.00 10.00 C ATOM 467 C MET A 28 18.973 -3.045 -0.664 1.00 10.00 C ATOM 468 O MET A 28 18.863 -2.263 -1.589 1.00 10.00 O ATOM 469 CB MET A 28 16.778 -4.254 -0.938 1.00 10.00 C ATOM 470 CG MET A 28 17.407 -5.552 -1.452 1.00 10.00 C ATOM 471 SD MET A 28 17.044 -6.898 -0.296 1.00 10.00 S ATOM 472 CE MET A 28 18.508 -7.901 -0.648 1.00 10.00 C ATOM 0 H MET A 28 15.996 -2.339 0.277 1.00 10.00 H new ATOM 0 HA MET A 28 18.074 -4.272 0.824 1.00 10.00 H new ATOM 0 HB2 MET A 28 15.823 -4.467 -0.459 1.00 10.00 H new ATOM 0 HB3 MET A 28 16.574 -3.583 -1.772 1.00 10.00 H new ATOM 0 HG2 MET A 28 17.015 -5.792 -2.441 1.00 10.00 H new ATOM 0 HG3 MET A 28 18.485 -5.429 -1.557 1.00 10.00 H new ATOM 0 HE1 MET A 28 18.332 -8.927 -0.326 1.00 10.00 H new ATOM 0 HE2 MET A 28 18.710 -7.886 -1.719 1.00 10.00 H new ATOM 0 HE3 MET A 28 19.365 -7.495 -0.111 1.00 10.00 H new ATOM 482 N PRO A 29 20.126 -3.491 -0.214 1.00 10.00 N ATOM 483 CA PRO A 29 21.404 -3.053 -0.830 1.00 10.00 C ATOM 484 C PRO A 29 21.628 -3.752 -2.180 1.00 10.00 C ATOM 485 O PRO A 29 20.810 -4.534 -2.623 1.00 10.00 O ATOM 486 CB PRO A 29 22.459 -3.489 0.182 1.00 10.00 C ATOM 487 CG PRO A 29 21.837 -4.623 0.936 1.00 10.00 C ATOM 488 CD PRO A 29 20.342 -4.427 0.897 1.00 10.00 C ATOM 0 HA PRO A 29 21.428 -1.983 -1.036 1.00 10.00 H new ATOM 0 HB2 PRO A 29 23.376 -3.804 -0.316 1.00 10.00 H new ATOM 0 HB3 PRO A 29 22.725 -2.670 0.851 1.00 10.00 H new ATOM 0 HG2 PRO A 29 22.110 -5.578 0.487 1.00 10.00 H new ATOM 0 HG3 PRO A 29 22.195 -4.641 1.965 1.00 10.00 H new ATOM 0 HD2 PRO A 29 19.822 -5.370 0.729 1.00 10.00 H new ATOM 0 HD3 PRO A 29 19.970 -4.021 1.837 1.00 10.00 H new ATOM 496 N GLN A 30 22.740 -3.466 -2.819 1.00 10.00 N ATOM 497 CA GLN A 30 23.069 -4.090 -4.147 1.00 10.00 C ATOM 498 C GLN A 30 21.998 -3.748 -5.200 1.00 10.00 C ATOM 499 O GLN A 30 22.150 -2.805 -5.953 1.00 10.00 O ATOM 500 CB GLN A 30 23.140 -5.605 -3.894 1.00 10.00 C ATOM 501 CG GLN A 30 24.349 -5.924 -3.007 1.00 10.00 C ATOM 502 CD GLN A 30 24.623 -7.430 -3.034 1.00 10.00 C ATOM 503 OE1 GLN A 30 25.709 -7.854 -3.380 1.00 10.00 O ATOM 504 NE2 GLN A 30 23.682 -8.263 -2.680 1.00 10.00 N ATOM 0 H GLN A 30 23.446 -2.816 -2.472 1.00 10.00 H new ATOM 0 HA GLN A 30 24.012 -3.712 -4.542 1.00 10.00 H new ATOM 0 HB2 GLN A 30 22.223 -5.947 -3.413 1.00 10.00 H new ATOM 0 HB3 GLN A 30 23.221 -6.138 -4.841 1.00 10.00 H new ATOM 0 HG2 GLN A 30 25.225 -5.379 -3.359 1.00 10.00 H new ATOM 0 HG3 GLN A 30 24.159 -5.597 -1.985 1.00 10.00 H new ATOM 0 HE21 GLN A 30 22.770 -7.909 -2.389 1.00 10.00 H new ATOM 0 HE22 GLN A 30 23.858 -9.268 -2.694 1.00 10.00 H new ATOM 513 N LEU A 31 20.922 -4.499 -5.259 1.00 10.00 N ATOM 514 CA LEU A 31 19.851 -4.209 -6.262 1.00 10.00 C ATOM 515 C LEU A 31 18.514 -3.953 -5.556 1.00 10.00 C ATOM 516 O LEU A 31 17.829 -3.024 -5.950 1.00 10.00 O ATOM 517 CB LEU A 31 19.769 -5.470 -7.135 1.00 10.00 C ATOM 518 CG LEU A 31 19.781 -5.089 -8.622 1.00 10.00 C ATOM 519 CD1 LEU A 31 18.612 -4.149 -8.928 1.00 10.00 C ATOM 520 CD2 LEU A 31 21.102 -4.391 -8.965 1.00 10.00 C ATOM 521 OXT LEU A 31 18.196 -4.689 -4.632 1.00 10.00 O ATOM 0 H LEU A 31 20.741 -5.300 -4.654 1.00 10.00 H new ATOM 0 HA LEU A 31 20.071 -3.319 -6.852 1.00 10.00 H new ATOM 0 HB2 LEU A 31 20.609 -6.129 -6.914 1.00 10.00 H new ATOM 0 HB3 LEU A 31 18.860 -6.024 -6.902 1.00 10.00 H new ATOM 0 HG LEU A 31 19.681 -5.993 -9.222 1.00 10.00 H new ATOM 0 HD11 LEU A 31 18.626 -3.883 -9.985 1.00 10.00 H new ATOM 0 HD12 LEU A 31 17.672 -4.648 -8.692 1.00 10.00 H new ATOM 0 HD13 LEU A 31 18.704 -3.246 -8.325 1.00 10.00 H new ATOM 0 HD21 LEU A 31 21.108 -4.122 -10.021 1.00 10.00 H new ATOM 0 HD22 LEU A 31 21.205 -3.490 -8.360 1.00 10.00 H new ATOM 0 HD23 LEU A 31 21.934 -5.064 -8.758 1.00 10.00 H new TER 533 LEU A 31