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+ 136:sc= 0.105 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0179 USER MOD Single : A 3 SER OG : rot 160:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.0603 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 23:sc= -0.121 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 163:sc= 0 (180deg=-0.542) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -24.284 6.126 -7.030 1.00 10.00 N ATOM 2 CA SER A 1 -24.180 6.366 -5.557 1.00 10.00 C ATOM 3 C SER A 1 -24.416 5.060 -4.786 1.00 10.00 C ATOM 4 O SER A 1 -24.859 4.072 -5.343 1.00 10.00 O ATOM 5 CB SER A 1 -25.276 7.384 -5.238 1.00 10.00 C ATOM 6 OG SER A 1 -25.033 8.580 -5.970 1.00 10.00 O ATOM 0 H1 SER A 1 -24.841 6.887 -7.467 1.00 10.00 H new ATOM 0 H2 SER A 1 -23.332 6.111 -7.447 1.00 10.00 H new ATOM 0 H3 SER A 1 -24.752 5.213 -7.201 1.00 10.00 H new ATOM 0 HA SER A 1 -23.193 6.729 -5.270 1.00 10.00 H new ATOM 0 HB2 SER A 1 -26.253 6.977 -5.498 1.00 10.00 H new ATOM 0 HB3 SER A 1 -25.292 7.595 -4.169 1.00 10.00 H new ATOM 0 HG SER A 1 -25.734 9.234 -5.770 1.00 10.00 H new ATOM 14 N GLY A 2 -24.121 5.052 -3.510 1.00 10.00 N ATOM 15 CA GLY A 2 -24.322 3.816 -2.694 1.00 10.00 C ATOM 16 C GLY A 2 -22.971 3.339 -2.155 1.00 10.00 C ATOM 17 O GLY A 2 -22.375 3.977 -1.308 1.00 10.00 O ATOM 0 H GLY A 2 -23.748 5.851 -2.997 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -25.005 4.019 -1.869 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -24.780 3.036 -3.302 1.00 10.00 H new ATOM 21 N SER A 3 -22.482 2.226 -2.644 1.00 10.00 N ATOM 22 CA SER A 3 -21.163 1.711 -2.161 1.00 10.00 C ATOM 23 C SER A 3 -20.020 2.451 -2.865 1.00 10.00 C ATOM 24 O SER A 3 -19.678 2.156 -3.995 1.00 10.00 O ATOM 25 CB SER A 3 -21.152 0.222 -2.519 1.00 10.00 C ATOM 26 OG SER A 3 -20.424 -0.494 -1.528 1.00 10.00 O ATOM 0 H SER A 3 -22.937 1.653 -3.355 1.00 10.00 H new ATOM 0 HA SER A 3 -21.027 1.864 -1.090 1.00 10.00 H new ATOM 0 HB2 SER A 3 -22.172 -0.156 -2.582 1.00 10.00 H new ATOM 0 HB3 SER A 3 -20.697 0.075 -3.498 1.00 10.00 H new ATOM 0 HG SER A 3 -20.673 -1.441 -1.560 1.00 10.00 H new ATOM 32 N TRP A 4 -19.432 3.416 -2.203 1.00 10.00 N ATOM 33 CA TRP A 4 -18.312 4.188 -2.824 1.00 10.00 C ATOM 34 C TRP A 4 -17.004 3.952 -2.056 1.00 10.00 C ATOM 35 O TRP A 4 -15.940 3.883 -2.642 1.00 10.00 O ATOM 36 CB TRP A 4 -18.738 5.655 -2.729 1.00 10.00 C ATOM 37 CG TRP A 4 -18.435 6.344 -4.021 1.00 10.00 C ATOM 38 CD1 TRP A 4 -19.332 6.573 -5.008 1.00 10.00 C ATOM 39 CD2 TRP A 4 -17.167 6.890 -4.485 1.00 10.00 C ATOM 40 NE1 TRP A 4 -18.694 7.226 -6.047 1.00 10.00 N ATOM 41 CE2 TRP A 4 -17.359 7.445 -5.772 1.00 10.00 C ATOM 42 CE3 TRP A 4 -15.882 6.958 -3.919 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -16.312 8.045 -6.473 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -14.826 7.562 -4.620 1.00 10.00 C ATOM 45 CH2 TRP A 4 -15.042 8.103 -5.896 1.00 10.00 C ATOM 0 H TRP A 4 -19.680 3.703 -1.256 1.00 10.00 H new ATOM 0 HA TRP A 4 -18.127 3.884 -3.854 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -19.803 5.722 -2.509 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -18.212 6.146 -1.910 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -20.375 6.292 -4.988 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -19.154 7.511 -6.912 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -15.706 6.543 -2.938 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -16.483 8.461 -7.455 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -13.843 7.610 -4.175 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -14.226 8.564 -6.432 1.00 10.00 H new ATOM 56 N LEU A 5 -17.077 3.826 -0.752 1.00 10.00 N ATOM 57 CA LEU A 5 -15.838 3.589 0.056 1.00 10.00 C ATOM 58 C LEU A 5 -15.254 2.199 -0.241 1.00 10.00 C ATOM 59 O LEU A 5 -14.072 1.974 -0.068 1.00 10.00 O ATOM 60 CB LEU A 5 -16.286 3.677 1.519 1.00 10.00 C ATOM 61 CG LEU A 5 -16.541 5.140 1.896 1.00 10.00 C ATOM 62 CD1 LEU A 5 -17.479 5.202 3.103 1.00 10.00 C ATOM 63 CD2 LEU A 5 -15.212 5.815 2.252 1.00 10.00 C ATOM 0 H LEU A 5 -17.941 3.877 -0.212 1.00 10.00 H new ATOM 0 HA LEU A 5 -15.059 4.315 -0.178 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -17.193 3.090 1.667 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -15.521 3.252 2.169 1.00 10.00 H new ATOM 0 HG LEU A 5 -16.999 5.656 1.052 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -17.660 6.243 3.370 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -18.425 4.722 2.853 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -17.021 4.685 3.946 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -15.393 6.856 2.520 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -14.755 5.297 3.095 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -14.541 5.773 1.394 1.00 10.00 H new ATOM 75 N ARG A 6 -16.070 1.268 -0.686 1.00 10.00 N ATOM 76 CA ARG A 6 -15.562 -0.109 -0.993 1.00 10.00 C ATOM 77 C ARG A 6 -14.389 -0.045 -1.982 1.00 10.00 C ATOM 78 O ARG A 6 -13.363 -0.666 -1.773 1.00 10.00 O ATOM 79 CB ARG A 6 -16.752 -0.849 -1.614 1.00 10.00 C ATOM 80 CG ARG A 6 -16.657 -2.341 -1.283 1.00 10.00 C ATOM 81 CD ARG A 6 -18.003 -3.016 -1.565 1.00 10.00 C ATOM 82 NE ARG A 6 -17.851 -4.411 -1.056 1.00 10.00 N ATOM 83 CZ ARG A 6 -18.020 -5.425 -1.863 1.00 10.00 C ATOM 84 NH1 ARG A 6 -17.171 -5.637 -2.834 1.00 10.00 N ATOM 85 NH2 ARG A 6 -19.040 -6.227 -1.698 1.00 10.00 N ATOM 0 H ARG A 6 -17.068 1.404 -0.850 1.00 10.00 H new ATOM 0 HA ARG A 6 -15.191 -0.613 -0.101 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -17.687 -0.440 -1.232 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -16.759 -0.705 -2.694 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -15.873 -2.807 -1.880 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -16.384 -2.475 -0.236 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -18.818 -2.498 -1.059 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -18.233 -3.008 -2.630 1.00 10.00 H new ATOM 0 HE ARG A 6 -17.615 -4.573 -0.077 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -16.376 -5.011 -2.962 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -17.303 -6.429 -3.463 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -19.702 -6.061 -0.940 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -19.173 -7.019 -2.327 1.00 10.00 H new ATOM 99 N ASP A 7 -14.529 0.708 -3.049 1.00 10.00 N ATOM 100 CA ASP A 7 -13.418 0.820 -4.048 1.00 10.00 C ATOM 101 C ASP A 7 -12.166 1.410 -3.384 1.00 10.00 C ATOM 102 O ASP A 7 -11.052 1.046 -3.709 1.00 10.00 O ATOM 103 CB ASP A 7 -13.946 1.763 -5.135 1.00 10.00 C ATOM 104 CG ASP A 7 -12.899 1.910 -6.243 1.00 10.00 C ATOM 105 OD1 ASP A 7 -12.832 1.034 -7.090 1.00 10.00 O ATOM 106 OD2 ASP A 7 -12.182 2.898 -6.225 1.00 10.00 O ATOM 0 H ASP A 7 -15.365 1.249 -3.271 1.00 10.00 H new ATOM 0 HA ASP A 7 -13.134 -0.150 -4.457 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -14.875 1.372 -5.549 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -14.174 2.738 -4.705 1.00 10.00 H new ATOM 111 N ILE A 8 -12.343 2.316 -2.453 1.00 10.00 N ATOM 112 CA ILE A 8 -11.165 2.928 -1.763 1.00 10.00 C ATOM 113 C ILE A 8 -10.620 1.973 -0.692 1.00 10.00 C ATOM 114 O ILE A 8 -9.426 1.888 -0.487 1.00 10.00 O ATOM 115 CB ILE A 8 -11.694 4.217 -1.119 1.00 10.00 C ATOM 116 CG1 ILE A 8 -12.223 5.159 -2.208 1.00 10.00 C ATOM 117 CG2 ILE A 8 -10.563 4.915 -0.356 1.00 10.00 C ATOM 118 CD1 ILE A 8 -13.443 5.917 -1.680 1.00 10.00 C ATOM 0 H ILE A 8 -13.252 2.658 -2.141 1.00 10.00 H new ATOM 0 HA ILE A 8 -10.347 3.130 -2.454 1.00 10.00 H new ATOM 0 HB ILE A 8 -12.500 3.966 -0.429 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -11.445 5.863 -2.504 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -12.493 4.589 -3.097 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -10.942 5.830 0.100 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -10.185 4.251 0.422 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -9.756 5.161 -1.046 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -13.819 6.586 -2.454 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -14.222 5.206 -1.406 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -13.158 6.499 -0.804 1.00 10.00 H new ATOM 130 N TRP A 9 -11.486 1.258 -0.007 1.00 10.00 N ATOM 131 CA TRP A 9 -11.013 0.311 1.055 1.00 10.00 C ATOM 132 C TRP A 9 -9.992 -0.676 0.477 1.00 10.00 C ATOM 133 O TRP A 9 -8.914 -0.843 1.018 1.00 10.00 O ATOM 134 CB TRP A 9 -12.269 -0.422 1.542 1.00 10.00 C ATOM 135 CG TRP A 9 -11.901 -1.414 2.607 1.00 10.00 C ATOM 136 CD1 TRP A 9 -12.466 -2.635 2.755 1.00 10.00 C ATOM 137 CD2 TRP A 9 -10.903 -1.296 3.668 1.00 10.00 C ATOM 138 NE1 TRP A 9 -11.880 -3.272 3.834 1.00 10.00 N ATOM 139 CE2 TRP A 9 -10.911 -2.489 4.428 1.00 10.00 C ATOM 140 CE3 TRP A 9 -10.000 -0.281 4.040 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -10.057 -2.670 5.517 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -9.139 -0.461 5.135 1.00 10.00 C ATOM 143 CH2 TRP A 9 -9.167 -1.653 5.871 1.00 10.00 C ATOM 0 H TRP A 9 -12.497 1.290 -0.138 1.00 10.00 H new ATOM 0 HA TRP A 9 -10.514 0.833 1.872 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -12.990 0.295 1.934 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -12.749 -0.933 0.707 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -13.247 -3.045 2.132 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -12.133 -4.207 4.152 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -9.969 0.642 3.480 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -10.084 -3.590 6.082 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -8.451 0.324 5.411 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -8.501 -1.785 6.711 1.00 10.00 H new ATOM 154 N ASP A 10 -10.313 -1.319 -0.621 1.00 10.00 N ATOM 155 CA ASP A 10 -9.342 -2.279 -1.234 1.00 10.00 C ATOM 156 C ASP A 10 -8.061 -1.531 -1.623 1.00 10.00 C ATOM 157 O ASP A 10 -6.963 -2.003 -1.391 1.00 10.00 O ATOM 158 CB ASP A 10 -10.046 -2.837 -2.477 1.00 10.00 C ATOM 159 CG ASP A 10 -9.055 -3.664 -3.305 1.00 10.00 C ATOM 160 OD1 ASP A 10 -8.500 -4.610 -2.765 1.00 10.00 O ATOM 161 OD2 ASP A 10 -8.869 -3.337 -4.465 1.00 10.00 O ATOM 0 H ASP A 10 -11.200 -1.221 -1.116 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.057 -3.079 -0.550 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -10.892 -3.456 -2.180 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -10.444 -2.020 -3.079 1.00 10.00 H new ATOM 166 N TRP A 11 -8.200 -0.359 -2.195 1.00 10.00 N ATOM 167 CA TRP A 11 -6.999 0.443 -2.585 1.00 10.00 C ATOM 168 C TRP A 11 -6.145 0.735 -1.344 1.00 10.00 C ATOM 169 O TRP A 11 -4.932 0.653 -1.384 1.00 10.00 O ATOM 170 CB TRP A 11 -7.569 1.738 -3.179 1.00 10.00 C ATOM 171 CG TRP A 11 -6.457 2.641 -3.611 1.00 10.00 C ATOM 172 CD1 TRP A 11 -5.885 2.638 -4.837 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.779 3.679 -2.846 1.00 10.00 C ATOM 174 NE1 TRP A 11 -4.900 3.608 -4.873 1.00 10.00 N ATOM 175 CE2 TRP A 11 -4.796 4.277 -3.668 1.00 10.00 C ATOM 176 CE3 TRP A 11 -5.921 4.156 -1.529 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -3.982 5.310 -3.203 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -5.104 5.195 -1.057 1.00 10.00 C ATOM 179 CH2 TRP A 11 -4.136 5.771 -1.893 1.00 10.00 C ATOM 0 H TRP A 11 -9.097 0.077 -2.409 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.356 -0.076 -3.296 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -8.210 1.505 -4.030 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -8.191 2.243 -2.440 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -6.154 1.985 -5.654 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -4.321 3.806 -5.689 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -6.664 3.719 -0.878 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -3.238 5.750 -3.851 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -5.221 5.553 -0.045 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -3.510 6.570 -1.524 1.00 10.00 H new ATOM 190 N ILE A 12 -6.775 1.058 -0.236 1.00 10.00 N ATOM 191 CA ILE A 12 -6.004 1.334 1.019 1.00 10.00 C ATOM 192 C ILE A 12 -5.222 0.077 1.432 1.00 10.00 C ATOM 193 O ILE A 12 -4.121 0.161 1.945 1.00 10.00 O ATOM 194 CB ILE A 12 -7.062 1.695 2.076 1.00 10.00 C ATOM 195 CG1 ILE A 12 -7.655 3.071 1.756 1.00 10.00 C ATOM 196 CG2 ILE A 12 -6.421 1.735 3.467 1.00 10.00 C ATOM 197 CD1 ILE A 12 -9.049 3.187 2.380 1.00 10.00 C ATOM 0 H ILE A 12 -7.788 1.142 -0.148 1.00 10.00 H new ATOM 0 HA ILE A 12 -5.278 2.138 0.895 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.849 0.941 2.063 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -7.006 3.857 2.142 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.716 3.210 0.677 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.177 1.991 4.209 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -5.999 0.758 3.701 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.630 2.485 3.482 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -9.470 4.166 2.152 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.696 2.410 1.972 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.975 3.067 3.461 1.00 10.00 H new ATOM 209 N CYS A 13 -5.782 -1.088 1.195 1.00 10.00 N ATOM 210 CA CYS A 13 -5.076 -2.356 1.554 1.00 10.00 C ATOM 211 C CYS A 13 -3.872 -2.569 0.627 1.00 10.00 C ATOM 212 O CYS A 13 -2.817 -2.993 1.061 1.00 10.00 O ATOM 213 CB CYS A 13 -6.114 -3.463 1.353 1.00 10.00 C ATOM 214 SG CYS A 13 -5.522 -4.993 2.118 1.00 10.00 S ATOM 0 H CYS A 13 -6.700 -1.212 0.767 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.694 -2.342 2.575 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -7.066 -3.168 1.795 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.291 -3.621 0.289 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.405 -5.932 1.949 1.00 10.00 H new ATOM 220 N GLU A 14 -4.020 -2.269 -0.646 1.00 10.00 N ATOM 221 CA GLU A 14 -2.884 -2.444 -1.605 1.00 10.00 C ATOM 222 C GLU A 14 -1.759 -1.455 -1.279 1.00 10.00 C ATOM 223 O GLU A 14 -0.589 -1.772 -1.378 1.00 10.00 O ATOM 224 CB GLU A 14 -3.480 -2.152 -2.987 1.00 10.00 C ATOM 225 CG GLU A 14 -3.584 -3.453 -3.789 1.00 10.00 C ATOM 226 CD GLU A 14 -4.938 -4.117 -3.521 1.00 10.00 C ATOM 227 OE1 GLU A 14 -5.111 -4.646 -2.434 1.00 10.00 O ATOM 228 OE2 GLU A 14 -5.775 -4.088 -4.408 1.00 10.00 O ATOM 0 H GLU A 14 -4.881 -1.910 -1.059 1.00 10.00 H new ATOM 0 HA GLU A 14 -2.450 -3.443 -1.555 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -4.466 -1.699 -2.880 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -2.855 -1.434 -3.519 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -3.474 -3.245 -4.853 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -2.775 -4.129 -3.511 1.00 10.00 H new ATOM 235 N VAL A 15 -2.115 -0.263 -0.874 1.00 10.00 N ATOM 236 CA VAL A 15 -1.084 0.760 -0.517 1.00 10.00 C ATOM 237 C VAL A 15 -0.322 0.308 0.738 1.00 10.00 C ATOM 238 O VAL A 15 0.840 0.613 0.908 1.00 10.00 O ATOM 239 CB VAL A 15 -1.876 2.051 -0.248 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.950 3.122 0.337 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.475 2.566 -1.560 1.00 10.00 C ATOM 0 H VAL A 15 -3.081 0.048 -0.774 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.344 0.905 -1.304 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.673 1.836 0.463 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -1.519 4.032 0.524 1.00 10.00 H new ATOM 0 HG12 VAL A 15 -0.523 2.762 1.273 1.00 10.00 H new ATOM 0 HG13 VAL A 15 -0.148 3.335 -0.370 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -3.036 3.481 -1.369 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.674 2.773 -2.269 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -3.142 1.811 -1.976 1.00 10.00 H new ATOM 251 N LEU A 16 -0.973 -0.425 1.611 1.00 10.00 N ATOM 252 CA LEU A 16 -0.294 -0.908 2.851 1.00 10.00 C ATOM 253 C LEU A 16 0.664 -2.058 2.516 1.00 10.00 C ATOM 254 O LEU A 16 1.798 -2.076 2.958 1.00 10.00 O ATOM 255 CB LEU A 16 -1.426 -1.393 3.762 1.00 10.00 C ATOM 256 CG LEU A 16 -0.910 -1.532 5.196 1.00 10.00 C ATOM 257 CD1 LEU A 16 -0.830 -0.150 5.848 1.00 10.00 C ATOM 258 CD2 LEU A 16 -1.866 -2.419 5.996 1.00 10.00 C ATOM 0 H LEU A 16 -1.948 -0.709 1.515 1.00 10.00 H new ATOM 0 HA LEU A 16 0.302 -0.129 3.327 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.258 -0.689 3.731 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.806 -2.351 3.407 1.00 10.00 H new ATOM 0 HG LEU A 16 0.082 -1.984 5.183 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -0.462 -0.250 6.869 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -0.150 0.482 5.278 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -1.821 0.304 5.862 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -1.500 -2.519 7.018 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -2.858 -1.967 6.008 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -1.922 -3.404 5.533 1.00 10.00 H new ATOM 270 N SER A 17 0.221 -3.013 1.731 1.00 10.00 N ATOM 271 CA SER A 17 1.113 -4.157 1.357 1.00 10.00 C ATOM 272 C SER A 17 2.265 -3.652 0.481 1.00 10.00 C ATOM 273 O SER A 17 3.399 -4.064 0.636 1.00 10.00 O ATOM 274 CB SER A 17 0.227 -5.137 0.579 1.00 10.00 C ATOM 275 OG SER A 17 -0.468 -4.441 -0.449 1.00 10.00 O ATOM 0 H SER A 17 -0.718 -3.049 1.334 1.00 10.00 H new ATOM 0 HA SER A 17 1.557 -4.635 2.230 1.00 10.00 H new ATOM 0 HB2 SER A 17 0.837 -5.930 0.146 1.00 10.00 H new ATOM 0 HB3 SER A 17 -0.484 -5.614 1.254 1.00 10.00 H new ATOM 0 HG SER A 17 -1.032 -5.070 -0.946 1.00 10.00 H new ATOM 281 N ASP A 18 1.978 -2.751 -0.429 1.00 10.00 N ATOM 282 CA ASP A 18 3.053 -2.202 -1.308 1.00 10.00 C ATOM 283 C ASP A 18 3.980 -1.295 -0.493 1.00 10.00 C ATOM 284 O ASP A 18 5.159 -1.212 -0.764 1.00 10.00 O ATOM 285 CB ASP A 18 2.323 -1.399 -2.389 1.00 10.00 C ATOM 286 CG ASP A 18 3.332 -0.860 -3.405 1.00 10.00 C ATOM 287 OD1 ASP A 18 3.898 0.191 -3.150 1.00 10.00 O ATOM 288 OD2 ASP A 18 3.519 -1.503 -4.426 1.00 10.00 O ATOM 0 H ASP A 18 1.046 -2.374 -0.599 1.00 10.00 H new ATOM 0 HA ASP A 18 3.672 -2.986 -1.743 1.00 10.00 H new ATOM 0 HB2 ASP A 18 1.590 -2.030 -2.891 1.00 10.00 H new ATOM 0 HB3 ASP A 18 1.775 -0.574 -1.934 1.00 10.00 H new ATOM 293 N PHE A 19 3.457 -0.622 0.507 1.00 10.00 N ATOM 294 CA PHE A 19 4.312 0.274 1.349 1.00 10.00 C ATOM 295 C PHE A 19 5.550 -0.485 1.841 1.00 10.00 C ATOM 296 O PHE A 19 6.656 0.017 1.792 1.00 10.00 O ATOM 297 CB PHE A 19 3.435 0.673 2.540 1.00 10.00 C ATOM 298 CG PHE A 19 3.507 2.168 2.747 1.00 10.00 C ATOM 299 CD1 PHE A 19 4.646 2.736 3.331 1.00 10.00 C ATOM 300 CD2 PHE A 19 2.438 2.984 2.359 1.00 10.00 C ATOM 301 CE1 PHE A 19 4.715 4.122 3.526 1.00 10.00 C ATOM 302 CE2 PHE A 19 2.507 4.368 2.554 1.00 10.00 C ATOM 303 CZ PHE A 19 3.645 4.936 3.136 1.00 10.00 C ATOM 0 H PHE A 19 2.474 -0.656 0.776 1.00 10.00 H new ATOM 0 HA PHE A 19 4.662 1.142 0.790 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.403 0.370 2.362 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.769 0.155 3.439 1.00 10.00 H new ATOM 0 HD1 PHE A 19 5.471 2.106 3.631 1.00 10.00 H new ATOM 0 HD2 PHE A 19 1.560 2.545 1.909 1.00 10.00 H new ATOM 0 HE1 PHE A 19 5.593 4.562 3.977 1.00 10.00 H new ATOM 0 HE2 PHE A 19 1.682 4.997 2.255 1.00 10.00 H new ATOM 0 HZ PHE A 19 3.698 6.004 3.285 1.00 10.00 H new ATOM 313 N LYS A 20 5.364 -1.695 2.316 1.00 10.00 N ATOM 314 CA LYS A 20 6.524 -2.495 2.817 1.00 10.00 C ATOM 315 C LYS A 20 7.502 -2.810 1.676 1.00 10.00 C ATOM 316 O LYS A 20 8.697 -2.627 1.813 1.00 10.00 O ATOM 317 CB LYS A 20 5.918 -3.784 3.382 1.00 10.00 C ATOM 318 CG LYS A 20 6.864 -4.377 4.429 1.00 10.00 C ATOM 319 CD LYS A 20 6.756 -3.579 5.734 1.00 10.00 C ATOM 320 CE LYS A 20 8.148 -3.403 6.352 1.00 10.00 C ATOM 321 NZ LYS A 20 8.363 -1.928 6.429 1.00 10.00 N ATOM 0 H LYS A 20 4.459 -2.161 2.378 1.00 10.00 H new ATOM 0 HA LYS A 20 7.092 -1.951 3.572 1.00 10.00 H new ATOM 0 HB2 LYS A 20 4.947 -3.576 3.831 1.00 10.00 H new ATOM 0 HB3 LYS A 20 5.751 -4.502 2.579 1.00 10.00 H new ATOM 0 HG2 LYS A 20 6.613 -5.422 4.609 1.00 10.00 H new ATOM 0 HG3 LYS A 20 7.890 -4.354 4.061 1.00 10.00 H new ATOM 0 HD2 LYS A 20 6.309 -2.604 5.539 1.00 10.00 H new ATOM 0 HD3 LYS A 20 6.100 -4.096 6.434 1.00 10.00 H new ATOM 0 HE2 LYS A 20 8.200 -3.860 7.340 1.00 10.00 H new ATOM 0 HE3 LYS A 20 8.913 -3.880 5.740 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 9.297 -1.734 6.843 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 8.316 -1.520 5.474 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 7.625 -1.500 7.024 1.00 10.00 H new ATOM 335 N THR A 21 7.009 -3.275 0.550 1.00 10.00 N ATOM 336 CA THR A 21 7.928 -3.588 -0.591 1.00 10.00 C ATOM 337 C THR A 21 8.515 -2.292 -1.160 1.00 10.00 C ATOM 338 O THR A 21 9.669 -2.249 -1.543 1.00 10.00 O ATOM 339 CB THR A 21 7.076 -4.316 -1.641 1.00 10.00 C ATOM 340 OG1 THR A 21 5.815 -3.671 -1.773 1.00 10.00 O ATOM 341 CG2 THR A 21 6.865 -5.769 -1.206 1.00 10.00 C ATOM 0 H THR A 21 6.020 -3.450 0.374 1.00 10.00 H new ATOM 0 HA THR A 21 8.767 -4.209 -0.277 1.00 10.00 H new ATOM 0 HB THR A 21 7.591 -4.293 -2.601 1.00 10.00 H new ATOM 0 HG1 THR A 21 5.888 -2.744 -1.463 1.00 10.00 H new ATOM 0 HG21 THR A 21 6.260 -6.287 -1.950 1.00 10.00 H new ATOM 0 HG22 THR A 21 7.831 -6.265 -1.114 1.00 10.00 H new ATOM 0 HG23 THR A 21 6.353 -5.790 -0.244 1.00 10.00 H new ATOM 349 N TRP A 22 7.740 -1.232 -1.195 1.00 10.00 N ATOM 350 CA TRP A 22 8.266 0.070 -1.714 1.00 10.00 C ATOM 351 C TRP A 22 9.480 0.487 -0.883 1.00 10.00 C ATOM 352 O TRP A 22 10.524 0.820 -1.410 1.00 10.00 O ATOM 353 CB TRP A 22 7.126 1.073 -1.526 1.00 10.00 C ATOM 354 CG TRP A 22 7.375 2.277 -2.380 1.00 10.00 C ATOM 355 CD1 TRP A 22 6.845 2.485 -3.606 1.00 10.00 C ATOM 356 CD2 TRP A 22 8.209 3.438 -2.092 1.00 10.00 C ATOM 357 NE1 TRP A 22 7.300 3.698 -4.091 1.00 10.00 N ATOM 358 CE2 TRP A 22 8.143 4.323 -3.194 1.00 10.00 C ATOM 359 CE3 TRP A 22 9.008 3.805 -0.994 1.00 10.00 C ATOM 360 CZ2 TRP A 22 8.844 5.530 -3.206 1.00 10.00 C ATOM 361 CZ3 TRP A 22 9.715 5.018 -1.003 1.00 10.00 C ATOM 362 CH2 TRP A 22 9.633 5.878 -2.107 1.00 10.00 C ATOM 0 H TRP A 22 6.768 -1.214 -0.887 1.00 10.00 H new ATOM 0 HA TRP A 22 8.577 0.010 -2.757 1.00 10.00 H new ATOM 0 HB2 TRP A 22 6.175 0.613 -1.795 1.00 10.00 H new ATOM 0 HB3 TRP A 22 7.054 1.366 -0.478 1.00 10.00 H new ATOM 0 HD1 TRP A 22 6.175 1.813 -4.123 1.00 10.00 H new ATOM 0 HE1 TRP A 22 7.044 4.083 -5.000 1.00 10.00 H new ATOM 0 HE3 TRP A 22 9.078 3.149 -0.139 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 8.777 6.190 -4.058 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 10.325 5.290 -0.155 1.00 10.00 H new ATOM 0 HH2 TRP A 22 10.180 6.809 -2.108 1.00 10.00 H new ATOM 373 N LEU A 23 9.343 0.452 0.420 1.00 10.00 N ATOM 374 CA LEU A 23 10.484 0.827 1.313 1.00 10.00 C ATOM 375 C LEU A 23 11.674 -0.112 1.075 1.00 10.00 C ATOM 376 O LEU A 23 12.816 0.290 1.166 1.00 10.00 O ATOM 377 CB LEU A 23 9.955 0.666 2.743 1.00 10.00 C ATOM 378 CG LEU A 23 9.754 2.047 3.373 1.00 10.00 C ATOM 379 CD1 LEU A 23 8.325 2.528 3.112 1.00 10.00 C ATOM 380 CD2 LEU A 23 9.995 1.958 4.882 1.00 10.00 C ATOM 0 H LEU A 23 8.488 0.179 0.905 1.00 10.00 H new ATOM 0 HA LEU A 23 10.832 1.842 1.123 1.00 10.00 H new ATOM 0 HB2 LEU A 23 9.013 0.118 2.734 1.00 10.00 H new ATOM 0 HB3 LEU A 23 10.657 0.082 3.338 1.00 10.00 H new ATOM 0 HG LEU A 23 10.459 2.752 2.932 1.00 10.00 H new ATOM 0 HD11 LEU A 23 8.184 3.511 3.561 1.00 10.00 H new ATOM 0 HD12 LEU A 23 8.153 2.592 2.038 1.00 10.00 H new ATOM 0 HD13 LEU A 23 7.618 1.824 3.551 1.00 10.00 H new ATOM 0 HD21 LEU A 23 9.852 2.941 5.332 1.00 10.00 H new ATOM 0 HD22 LEU A 23 9.291 1.252 5.322 1.00 10.00 H new ATOM 0 HD23 LEU A 23 11.014 1.618 5.068 1.00 10.00 H new ATOM 392 N LYS A 24 11.418 -1.358 0.759 1.00 10.00 N ATOM 393 CA LYS A 24 12.541 -2.311 0.504 1.00 10.00 C ATOM 394 C LYS A 24 13.256 -1.965 -0.815 1.00 10.00 C ATOM 395 O LYS A 24 14.358 -2.416 -1.063 1.00 10.00 O ATOM 396 CB LYS A 24 11.879 -3.689 0.414 1.00 10.00 C ATOM 397 CG LYS A 24 12.904 -4.776 0.744 1.00 10.00 C ATOM 398 CD LYS A 24 12.413 -6.121 0.205 1.00 10.00 C ATOM 399 CE LYS A 24 12.345 -7.141 1.347 1.00 10.00 C ATOM 400 NZ LYS A 24 12.807 -8.427 0.751 1.00 10.00 N ATOM 0 H LYS A 24 10.483 -1.755 0.667 1.00 10.00 H new ATOM 0 HA LYS A 24 13.298 -2.271 1.288 1.00 10.00 H new ATOM 0 HB2 LYS A 24 11.039 -3.745 1.106 1.00 10.00 H new ATOM 0 HB3 LYS A 24 11.478 -3.846 -0.587 1.00 10.00 H new ATOM 0 HG2 LYS A 24 13.869 -4.526 0.304 1.00 10.00 H new ATOM 0 HG3 LYS A 24 13.052 -4.836 1.822 1.00 10.00 H new ATOM 0 HD2 LYS A 24 11.430 -6.004 -0.250 1.00 10.00 H new ATOM 0 HD3 LYS A 24 13.085 -6.478 -0.575 1.00 10.00 H new ATOM 0 HE2 LYS A 24 12.981 -6.842 2.180 1.00 10.00 H new ATOM 0 HE3 LYS A 24 11.331 -7.229 1.736 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 12.787 -9.173 1.476 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 12.179 -8.691 -0.035 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 13.778 -8.316 0.396 1.00 10.00 H new ATOM 414 N ALA A 25 12.637 -1.174 -1.660 1.00 10.00 N ATOM 415 CA ALA A 25 13.279 -0.803 -2.958 1.00 10.00 C ATOM 416 C ALA A 25 13.822 0.634 -2.910 1.00 10.00 C ATOM 417 O ALA A 25 14.807 0.949 -3.551 1.00 10.00 O ATOM 418 CB ALA A 25 12.159 -0.915 -3.997 1.00 10.00 C ATOM 0 H ALA A 25 11.714 -0.770 -1.505 1.00 10.00 H new ATOM 0 HA ALA A 25 14.127 -1.447 -3.190 1.00 10.00 H new ATOM 0 HB1 ALA A 25 12.549 -0.658 -4.982 1.00 10.00 H new ATOM 0 HB2 ALA A 25 11.778 -1.936 -4.013 1.00 10.00 H new ATOM 0 HB3 ALA A 25 11.351 -0.231 -3.737 1.00 10.00 H new ATOM 424 N LYS A 26 13.184 1.510 -2.168 1.00 10.00 N ATOM 425 CA LYS A 26 13.661 2.929 -2.099 1.00 10.00 C ATOM 426 C LYS A 26 14.305 3.242 -0.742 1.00 10.00 C ATOM 427 O LYS A 26 15.271 3.977 -0.668 1.00 10.00 O ATOM 428 CB LYS A 26 12.401 3.777 -2.297 1.00 10.00 C ATOM 429 CG LYS A 26 12.335 4.278 -3.742 1.00 10.00 C ATOM 430 CD LYS A 26 11.910 3.133 -4.668 1.00 10.00 C ATOM 431 CE LYS A 26 13.050 2.803 -5.637 1.00 10.00 C ATOM 432 NZ LYS A 26 12.952 3.826 -6.718 1.00 10.00 N ATOM 0 H LYS A 26 12.356 1.304 -1.609 1.00 10.00 H new ATOM 0 HA LYS A 26 14.425 3.129 -2.850 1.00 10.00 H new ATOM 0 HB2 LYS A 26 11.514 3.187 -2.066 1.00 10.00 H new ATOM 0 HB3 LYS A 26 12.409 4.623 -1.609 1.00 10.00 H new ATOM 0 HG2 LYS A 26 11.626 5.103 -3.819 1.00 10.00 H new ATOM 0 HG3 LYS A 26 13.307 4.664 -4.048 1.00 10.00 H new ATOM 0 HD2 LYS A 26 11.654 2.252 -4.079 1.00 10.00 H new ATOM 0 HD3 LYS A 26 11.017 3.415 -5.225 1.00 10.00 H new ATOM 0 HE2 LYS A 26 14.018 2.849 -5.137 1.00 10.00 H new ATOM 0 HE3 LYS A 26 12.947 1.795 -6.038 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 13.702 3.663 -7.419 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 12.024 3.754 -7.181 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 13.061 4.776 -6.308 1.00 10.00 H new ATOM 446 N LEU A 27 13.780 2.702 0.332 1.00 10.00 N ATOM 447 CA LEU A 27 14.367 2.987 1.682 1.00 10.00 C ATOM 448 C LEU A 27 15.601 2.112 1.942 1.00 10.00 C ATOM 449 O LEU A 27 16.536 2.540 2.589 1.00 10.00 O ATOM 450 CB LEU A 27 13.252 2.665 2.689 1.00 10.00 C ATOM 451 CG LEU A 27 13.048 3.843 3.651 1.00 10.00 C ATOM 452 CD1 LEU A 27 14.347 4.126 4.410 1.00 10.00 C ATOM 453 CD2 LEU A 27 12.635 5.090 2.862 1.00 10.00 C ATOM 0 H LEU A 27 12.973 2.078 0.334 1.00 10.00 H new ATOM 0 HA LEU A 27 14.701 4.021 1.763 1.00 10.00 H new ATOM 0 HB2 LEU A 27 12.323 2.454 2.159 1.00 10.00 H new ATOM 0 HB3 LEU A 27 13.509 1.767 3.251 1.00 10.00 H new ATOM 0 HG LEU A 27 12.263 3.588 4.363 1.00 10.00 H new ATOM 0 HD11 LEU A 27 14.195 4.963 5.091 1.00 10.00 H new ATOM 0 HD12 LEU A 27 14.635 3.243 4.980 1.00 10.00 H new ATOM 0 HD13 LEU A 27 15.136 4.374 3.700 1.00 10.00 H new ATOM 0 HD21 LEU A 27 12.491 5.924 3.549 1.00 10.00 H new ATOM 0 HD22 LEU A 27 13.416 5.342 2.144 1.00 10.00 H new ATOM 0 HD23 LEU A 27 11.704 4.893 2.331 1.00 10.00 H new ATOM 465 N MET A 28 15.611 0.896 1.447 1.00 10.00 N ATOM 466 CA MET A 28 16.793 -0.004 1.668 1.00 10.00 C ATOM 467 C MET A 28 18.095 0.660 1.182 1.00 10.00 C ATOM 468 O MET A 28 19.054 0.737 1.927 1.00 10.00 O ATOM 469 CB MET A 28 16.498 -1.274 0.860 1.00 10.00 C ATOM 470 CG MET A 28 15.910 -2.347 1.779 1.00 10.00 C ATOM 471 SD MET A 28 17.185 -3.571 2.176 1.00 10.00 S ATOM 472 CE MET A 28 16.715 -4.804 0.937 1.00 10.00 C ATOM 0 H MET A 28 14.854 0.487 0.900 1.00 10.00 H new ATOM 0 HA MET A 28 16.936 -0.220 2.727 1.00 10.00 H new ATOM 0 HB2 MET A 28 15.799 -1.049 0.054 1.00 10.00 H new ATOM 0 HB3 MET A 28 17.413 -1.641 0.395 1.00 10.00 H new ATOM 0 HG2 MET A 28 15.533 -1.890 2.694 1.00 10.00 H new ATOM 0 HG3 MET A 28 15.064 -2.833 1.293 1.00 10.00 H new ATOM 0 HE1 MET A 28 17.536 -5.507 0.793 1.00 10.00 H new ATOM 0 HE2 MET A 28 15.831 -5.343 1.278 1.00 10.00 H new ATOM 0 HE3 MET A 28 16.494 -4.306 -0.007 1.00 10.00 H new ATOM 482 N PRO A 29 18.096 1.124 -0.054 1.00 10.00 N ATOM 483 CA PRO A 29 19.305 1.785 -0.611 1.00 10.00 C ATOM 484 C PRO A 29 19.501 3.178 0.004 1.00 10.00 C ATOM 485 O PRO A 29 18.747 3.606 0.858 1.00 10.00 O ATOM 486 CB PRO A 29 19.007 1.889 -2.104 1.00 10.00 C ATOM 487 CG PRO A 29 17.516 1.873 -2.205 1.00 10.00 C ATOM 488 CD PRO A 29 17.000 1.078 -1.035 1.00 10.00 C ATOM 0 HA PRO A 29 20.221 1.233 -0.400 1.00 10.00 H new ATOM 0 HB2 PRO A 29 19.421 2.805 -2.526 1.00 10.00 H new ATOM 0 HB3 PRO A 29 19.448 1.057 -2.653 1.00 10.00 H new ATOM 0 HG2 PRO A 29 17.118 2.888 -2.186 1.00 10.00 H new ATOM 0 HG3 PRO A 29 17.199 1.423 -3.146 1.00 10.00 H new ATOM 0 HD2 PRO A 29 16.086 1.512 -0.631 1.00 10.00 H new ATOM 0 HD3 PRO A 29 16.766 0.053 -1.322 1.00 10.00 H new ATOM 496 N GLN A 30 20.513 3.885 -0.431 1.00 10.00 N ATOM 497 CA GLN A 30 20.772 5.252 0.117 1.00 10.00 C ATOM 498 C GLN A 30 20.944 6.262 -1.027 1.00 10.00 C ATOM 499 O GLN A 30 21.792 7.135 -0.974 1.00 10.00 O ATOM 500 CB GLN A 30 22.071 5.119 0.920 1.00 10.00 C ATOM 501 CG GLN A 30 21.786 4.412 2.249 1.00 10.00 C ATOM 502 CD GLN A 30 22.526 5.130 3.382 1.00 10.00 C ATOM 503 OE1 GLN A 30 23.703 4.910 3.589 1.00 10.00 O ATOM 504 NE2 GLN A 30 21.883 5.987 4.128 1.00 10.00 N ATOM 0 H GLN A 30 21.173 3.574 -1.144 1.00 10.00 H new ATOM 0 HA GLN A 30 19.948 5.612 0.733 1.00 10.00 H new ATOM 0 HB2 GLN A 30 22.808 4.555 0.348 1.00 10.00 H new ATOM 0 HB3 GLN A 30 22.498 6.105 1.105 1.00 10.00 H new ATOM 0 HG2 GLN A 30 20.714 4.407 2.447 1.00 10.00 H new ATOM 0 HG3 GLN A 30 22.105 3.371 2.195 1.00 10.00 H new ATOM 0 HE21 GLN A 30 20.895 6.173 3.956 1.00 10.00 H new ATOM 0 HE22 GLN A 30 22.369 6.471 4.883 1.00 10.00 H new ATOM 513 N LEU A 31 20.143 6.152 -2.060 1.00 10.00 N ATOM 514 CA LEU A 31 20.256 7.106 -3.208 1.00 10.00 C ATOM 515 C LEU A 31 18.895 7.278 -3.891 1.00 10.00 C ATOM 516 O LEU A 31 18.254 6.274 -4.160 1.00 10.00 O ATOM 517 CB LEU A 31 21.265 6.462 -4.166 1.00 10.00 C ATOM 518 CG LEU A 31 22.089 7.554 -4.855 1.00 10.00 C ATOM 519 CD1 LEU A 31 23.470 7.003 -5.215 1.00 10.00 C ATOM 520 CD2 LEU A 31 21.375 8.005 -6.133 1.00 10.00 C ATOM 521 OXT LEU A 31 18.516 8.412 -4.135 1.00 10.00 O ATOM 0 H LEU A 31 19.416 5.443 -2.157 1.00 10.00 H new ATOM 0 HA LEU A 31 20.577 8.098 -2.889 1.00 10.00 H new ATOM 0 HB2 LEU A 31 21.923 5.787 -3.618 1.00 10.00 H new ATOM 0 HB3 LEU A 31 20.742 5.862 -4.911 1.00 10.00 H new ATOM 0 HG LEU A 31 22.199 8.402 -4.180 1.00 10.00 H new ATOM 0 HD11 LEU A 31 24.056 7.781 -5.705 1.00 10.00 H new ATOM 0 HD12 LEU A 31 23.981 6.681 -4.308 1.00 10.00 H new ATOM 0 HD13 LEU A 31 23.358 6.154 -5.889 1.00 10.00 H new ATOM 0 HD21 LEU A 31 21.962 8.782 -6.623 1.00 10.00 H new ATOM 0 HD22 LEU A 31 21.264 7.155 -6.807 1.00 10.00 H new ATOM 0 HD23 LEU A 31 20.391 8.399 -5.880 1.00 10.00 H new TER 533 LEU A 31