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+ 145:sc= 0.0649 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0503 USER MOD Single : A 3 SER OG : rot -130:sc= 0.826 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+ -140:sc= 0 (180deg=-0.0515) USER MOD Single : A 21 THR OG1 : rot 13:sc= -0.0933 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -25.756 4.569 -4.690 1.00 10.00 N ATOM 2 CA SER A 1 -25.751 4.113 -6.114 1.00 10.00 C ATOM 3 C SER A 1 -24.315 4.072 -6.652 1.00 10.00 C ATOM 4 O SER A 1 -23.540 4.987 -6.441 1.00 10.00 O ATOM 5 CB SER A 1 -26.578 5.153 -6.873 1.00 10.00 C ATOM 6 OG SER A 1 -27.880 5.224 -6.307 1.00 10.00 O ATOM 0 H1 SER A 1 -26.606 5.141 -4.512 1.00 10.00 H new ATOM 0 H2 SER A 1 -25.757 3.741 -4.060 1.00 10.00 H new ATOM 0 H3 SER A 1 -24.908 5.142 -4.506 1.00 10.00 H new ATOM 0 HA SER A 1 -26.162 3.110 -6.225 1.00 10.00 H new ATOM 0 HB2 SER A 1 -26.093 6.128 -6.821 1.00 10.00 H new ATOM 0 HB3 SER A 1 -26.642 4.884 -7.927 1.00 10.00 H new ATOM 0 HG SER A 1 -28.411 5.891 -6.791 1.00 10.00 H new ATOM 14 N GLY A 2 -23.958 3.018 -7.343 1.00 10.00 N ATOM 15 CA GLY A 2 -22.573 2.912 -7.897 1.00 10.00 C ATOM 16 C GLY A 2 -21.625 2.357 -6.827 1.00 10.00 C ATOM 17 O GLY A 2 -22.053 1.866 -5.799 1.00 10.00 O ATOM 0 H GLY A 2 -24.567 2.225 -7.548 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -22.570 2.261 -8.771 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -22.228 3.892 -8.228 1.00 10.00 H new ATOM 21 N SER A 3 -20.339 2.431 -7.065 1.00 10.00 N ATOM 22 CA SER A 3 -19.354 1.907 -6.068 1.00 10.00 C ATOM 23 C SER A 3 -18.057 2.727 -6.126 1.00 10.00 C ATOM 24 O SER A 3 -17.152 2.430 -6.885 1.00 10.00 O ATOM 25 CB SER A 3 -19.103 0.455 -6.485 1.00 10.00 C ATOM 26 OG SER A 3 -18.768 -0.314 -5.336 1.00 10.00 O ATOM 0 H SER A 3 -19.928 2.832 -7.908 1.00 10.00 H new ATOM 0 HA SER A 3 -19.721 1.974 -5.044 1.00 10.00 H new ATOM 0 HB2 SER A 3 -19.991 0.044 -6.965 1.00 10.00 H new ATOM 0 HB3 SER A 3 -18.295 0.409 -7.215 1.00 10.00 H new ATOM 0 HG SER A 3 -17.953 -0.829 -5.513 1.00 10.00 H new ATOM 32 N TRP A 4 -17.964 3.764 -5.330 1.00 10.00 N ATOM 33 CA TRP A 4 -16.731 4.613 -5.334 1.00 10.00 C ATOM 34 C TRP A 4 -15.933 4.426 -4.035 1.00 10.00 C ATOM 35 O TRP A 4 -14.718 4.490 -4.035 1.00 10.00 O ATOM 36 CB TRP A 4 -17.236 6.052 -5.454 1.00 10.00 C ATOM 37 CG TRP A 4 -16.317 6.825 -6.343 1.00 10.00 C ATOM 38 CD1 TRP A 4 -16.450 6.940 -7.685 1.00 10.00 C ATOM 39 CD2 TRP A 4 -15.128 7.584 -5.983 1.00 10.00 C ATOM 40 NE1 TRP A 4 -15.418 7.722 -8.170 1.00 10.00 N ATOM 41 CE2 TRP A 4 -14.578 8.144 -7.159 1.00 10.00 C ATOM 42 CE3 TRP A 4 -14.482 7.840 -4.760 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -13.425 8.929 -7.124 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -13.321 8.630 -4.722 1.00 10.00 C ATOM 45 CH2 TRP A 4 -12.794 9.174 -5.901 1.00 10.00 C ATOM 0 H TRP A 4 -18.689 4.060 -4.677 1.00 10.00 H new ATOM 0 HA TRP A 4 -16.059 4.346 -6.150 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -18.247 6.062 -5.860 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -17.284 6.516 -4.469 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -17.234 6.494 -8.279 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -15.293 7.958 -9.154 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -14.881 7.427 -3.845 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -13.023 9.345 -8.036 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -12.831 8.819 -3.778 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -11.902 9.782 -5.865 1.00 10.00 H new ATOM 56 N LEU A 5 -16.603 4.198 -2.930 1.00 10.00 N ATOM 57 CA LEU A 5 -15.878 4.007 -1.634 1.00 10.00 C ATOM 58 C LEU A 5 -15.336 2.573 -1.529 1.00 10.00 C ATOM 59 O LEU A 5 -14.287 2.344 -0.959 1.00 10.00 O ATOM 60 CB LEU A 5 -16.926 4.269 -0.546 1.00 10.00 C ATOM 61 CG LEU A 5 -16.226 4.601 0.775 1.00 10.00 C ATOM 62 CD1 LEU A 5 -15.836 6.081 0.794 1.00 10.00 C ATOM 63 CD2 LEU A 5 -17.174 4.312 1.942 1.00 10.00 C ATOM 0 H LEU A 5 -17.619 4.136 -2.870 1.00 10.00 H new ATOM 0 HA LEU A 5 -15.021 4.674 -1.542 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -17.574 5.094 -0.843 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -17.562 3.393 -0.422 1.00 10.00 H new ATOM 0 HG LEU A 5 -15.330 3.988 0.871 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -15.338 6.314 1.735 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -15.160 6.290 -0.035 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -16.732 6.695 0.696 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -16.676 4.548 2.882 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -18.071 4.924 1.843 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -17.451 3.258 1.933 1.00 10.00 H new ATOM 75 N ARG A 6 -16.044 1.611 -2.076 1.00 10.00 N ATOM 76 CA ARG A 6 -15.577 0.187 -2.013 1.00 10.00 C ATOM 77 C ARG A 6 -14.145 0.065 -2.553 1.00 10.00 C ATOM 78 O ARG A 6 -13.285 -0.516 -1.919 1.00 10.00 O ATOM 79 CB ARG A 6 -16.553 -0.592 -2.899 1.00 10.00 C ATOM 80 CG ARG A 6 -16.771 -1.996 -2.324 1.00 10.00 C ATOM 81 CD ARG A 6 -17.952 -1.980 -1.346 1.00 10.00 C ATOM 82 NE ARG A 6 -19.147 -1.644 -2.176 1.00 10.00 N ATOM 83 CZ ARG A 6 -19.808 -2.588 -2.791 1.00 10.00 C ATOM 84 NH1 ARG A 6 -20.494 -3.462 -2.100 1.00 10.00 N ATOM 85 NH2 ARG A 6 -19.786 -2.654 -4.097 1.00 10.00 N ATOM 0 H ARG A 6 -16.928 1.751 -2.565 1.00 10.00 H new ATOM 0 HA ARG A 6 -15.560 -0.192 -0.991 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -17.504 -0.063 -2.961 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -16.161 -0.662 -3.914 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -16.965 -2.703 -3.131 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -15.869 -2.334 -1.814 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -18.072 -2.947 -0.858 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -17.800 -1.242 -0.558 1.00 10.00 H new ATOM 0 HE ARG A 6 -19.448 -0.673 -2.263 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -20.512 -3.406 -1.082 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -21.010 -4.199 -2.580 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -19.253 -1.969 -4.633 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -20.301 -3.390 -4.579 1.00 10.00 H new ATOM 99 N ASP A 7 -13.889 0.610 -3.720 1.00 10.00 N ATOM 100 CA ASP A 7 -12.513 0.532 -4.305 1.00 10.00 C ATOM 101 C ASP A 7 -11.497 1.200 -3.369 1.00 10.00 C ATOM 102 O ASP A 7 -10.409 0.692 -3.166 1.00 10.00 O ATOM 103 CB ASP A 7 -12.597 1.288 -5.636 1.00 10.00 C ATOM 104 CG ASP A 7 -11.204 1.387 -6.263 1.00 10.00 C ATOM 105 OD1 ASP A 7 -10.655 0.353 -6.611 1.00 10.00 O ATOM 106 OD2 ASP A 7 -10.709 2.495 -6.384 1.00 10.00 O ATOM 0 H ASP A 7 -14.574 1.105 -4.291 1.00 10.00 H new ATOM 0 HA ASP A 7 -12.185 -0.498 -4.444 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -13.276 0.773 -6.315 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -13.005 2.286 -5.473 1.00 10.00 H new ATOM 111 N ILE A 8 -11.846 2.330 -2.792 1.00 10.00 N ATOM 112 CA ILE A 8 -10.901 3.026 -1.860 1.00 10.00 C ATOM 113 C ILE A 8 -10.524 2.089 -0.706 1.00 10.00 C ATOM 114 O ILE A 8 -9.369 1.988 -0.336 1.00 10.00 O ATOM 115 CB ILE A 8 -11.661 4.251 -1.331 1.00 10.00 C ATOM 116 CG1 ILE A 8 -11.853 5.270 -2.462 1.00 10.00 C ATOM 117 CG2 ILE A 8 -10.863 4.901 -0.195 1.00 10.00 C ATOM 118 CD1 ILE A 8 -12.805 6.378 -2.003 1.00 10.00 C ATOM 0 H ILE A 8 -12.742 2.798 -2.927 1.00 10.00 H new ATOM 0 HA ILE A 8 -9.977 3.318 -2.359 1.00 10.00 H new ATOM 0 HB ILE A 8 -12.635 3.933 -0.959 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -10.892 5.698 -2.746 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -12.255 4.775 -3.346 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -11.404 5.770 0.179 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -10.729 4.182 0.613 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -9.888 5.214 -0.568 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -12.939 7.100 -2.809 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -13.770 5.943 -1.741 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -12.385 6.881 -1.132 1.00 10.00 H new ATOM 130 N TRP A 9 -11.489 1.398 -0.143 1.00 10.00 N ATOM 131 CA TRP A 9 -11.189 0.456 0.981 1.00 10.00 C ATOM 132 C TRP A 9 -10.186 -0.605 0.510 1.00 10.00 C ATOM 133 O TRP A 9 -9.251 -0.942 1.212 1.00 10.00 O ATOM 134 CB TRP A 9 -12.533 -0.187 1.341 1.00 10.00 C ATOM 135 CG TRP A 9 -12.388 -0.980 2.603 1.00 10.00 C ATOM 136 CD1 TRP A 9 -12.757 -2.272 2.754 1.00 10.00 C ATOM 137 CD2 TRP A 9 -11.841 -0.558 3.887 1.00 10.00 C ATOM 138 NE1 TRP A 9 -12.472 -2.670 4.047 1.00 10.00 N ATOM 139 CE2 TRP A 9 -11.907 -1.649 4.785 1.00 10.00 C ATOM 140 CE3 TRP A 9 -11.301 0.654 4.354 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -11.452 -1.542 6.099 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -10.842 0.764 5.677 1.00 10.00 C ATOM 143 CH2 TRP A 9 -10.918 -0.332 6.547 1.00 10.00 C ATOM 0 H TRP A 9 -12.471 1.447 -0.415 1.00 10.00 H new ATOM 0 HA TRP A 9 -10.747 0.959 1.841 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -13.294 0.583 1.469 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -12.867 -0.834 0.530 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -13.202 -2.892 1.989 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -12.657 -3.605 4.412 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -11.239 1.505 3.692 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -11.512 -2.389 6.766 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -10.428 1.699 6.026 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -10.564 -0.241 7.563 1.00 10.00 H new ATOM 154 N ASP A 10 -10.368 -1.113 -0.684 1.00 10.00 N ATOM 155 CA ASP A 10 -9.418 -2.134 -1.220 1.00 10.00 C ATOM 156 C ASP A 10 -8.062 -1.472 -1.491 1.00 10.00 C ATOM 157 O ASP A 10 -7.026 -2.002 -1.142 1.00 10.00 O ATOM 158 CB ASP A 10 -10.050 -2.631 -2.524 1.00 10.00 C ATOM 159 CG ASP A 10 -9.755 -4.121 -2.704 1.00 10.00 C ATOM 160 OD1 ASP A 10 -8.589 -4.467 -2.823 1.00 10.00 O ATOM 161 OD2 ASP A 10 -10.699 -4.892 -2.719 1.00 10.00 O ATOM 0 H ASP A 10 -11.134 -0.864 -1.310 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.248 -2.956 -0.524 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -11.127 -2.463 -2.505 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -9.655 -2.067 -3.369 1.00 10.00 H new ATOM 166 N TRP A 11 -8.072 -0.308 -2.100 1.00 10.00 N ATOM 167 CA TRP A 11 -6.791 0.414 -2.389 1.00 10.00 C ATOM 168 C TRP A 11 -6.004 0.633 -1.090 1.00 10.00 C ATOM 169 O TRP A 11 -4.801 0.461 -1.054 1.00 10.00 O ATOM 170 CB TRP A 11 -7.218 1.753 -3.001 1.00 10.00 C ATOM 171 CG TRP A 11 -6.015 2.615 -3.223 1.00 10.00 C ATOM 172 CD1 TRP A 11 -5.208 2.559 -4.306 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.471 3.656 -2.359 1.00 10.00 C ATOM 174 NE1 TRP A 11 -4.203 3.499 -4.163 1.00 10.00 N ATOM 175 CE2 TRP A 11 -4.323 4.201 -2.980 1.00 10.00 C ATOM 176 CE3 TRP A 11 -5.858 4.175 -1.111 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -3.584 5.224 -2.384 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -5.119 5.205 -0.508 1.00 10.00 C ATOM 179 CH2 TRP A 11 -3.984 5.728 -1.144 1.00 10.00 C ATOM 0 H TRP A 11 -8.916 0.174 -2.410 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.140 -0.146 -3.060 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -7.735 1.583 -3.946 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -7.922 2.258 -2.339 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -5.328 1.890 -5.145 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -3.463 3.655 -4.848 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -6.730 3.778 -0.613 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -2.710 5.623 -2.877 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -5.426 5.597 0.451 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -3.419 6.520 -0.675 1.00 10.00 H new ATOM 190 N ILE A 12 -6.677 0.994 -0.023 1.00 10.00 N ATOM 191 CA ILE A 12 -5.967 1.202 1.279 1.00 10.00 C ATOM 192 C ILE A 12 -5.245 -0.095 1.681 1.00 10.00 C ATOM 193 O ILE A 12 -4.153 -0.068 2.215 1.00 10.00 O ATOM 194 CB ILE A 12 -7.070 1.558 2.289 1.00 10.00 C ATOM 195 CG1 ILE A 12 -7.541 2.996 2.048 1.00 10.00 C ATOM 196 CG2 ILE A 12 -6.528 1.438 3.719 1.00 10.00 C ATOM 197 CD1 ILE A 12 -8.903 3.207 2.712 1.00 10.00 C ATOM 0 H ILE A 12 -7.684 1.153 0.003 1.00 10.00 H new ATOM 0 HA ILE A 12 -5.212 1.987 1.228 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.905 0.870 2.160 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.814 3.700 2.453 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.612 3.192 0.978 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.315 1.692 4.429 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -6.194 0.416 3.897 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.689 2.121 3.848 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -9.237 4.230 2.540 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.627 2.512 2.286 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.817 3.029 3.784 1.00 10.00 H new ATOM 209 N CYS A 13 -5.849 -1.229 1.410 1.00 10.00 N ATOM 210 CA CYS A 13 -5.205 -2.533 1.755 1.00 10.00 C ATOM 211 C CYS A 13 -4.007 -2.791 0.829 1.00 10.00 C ATOM 212 O CYS A 13 -2.990 -3.307 1.254 1.00 10.00 O ATOM 213 CB CYS A 13 -6.294 -3.586 1.534 1.00 10.00 C ATOM 214 SG CYS A 13 -5.807 -5.137 2.330 1.00 10.00 S ATOM 0 H CYS A 13 -6.763 -1.305 0.963 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.826 -2.550 2.777 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -7.241 -3.236 1.945 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.449 -3.746 0.467 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.733 -6.030 2.144 1.00 10.00 H new ATOM 220 N GLU A 14 -4.117 -2.427 -0.429 1.00 10.00 N ATOM 221 CA GLU A 14 -2.984 -2.641 -1.380 1.00 10.00 C ATOM 222 C GLU A 14 -1.793 -1.757 -0.992 1.00 10.00 C ATOM 223 O GLU A 14 -0.655 -2.187 -1.016 1.00 10.00 O ATOM 224 CB GLU A 14 -3.535 -2.241 -2.752 1.00 10.00 C ATOM 225 CG GLU A 14 -3.993 -3.492 -3.508 1.00 10.00 C ATOM 226 CD GLU A 14 -2.840 -4.044 -4.354 1.00 10.00 C ATOM 227 OE1 GLU A 14 -2.543 -3.450 -5.378 1.00 10.00 O ATOM 228 OE2 GLU A 14 -2.276 -5.053 -3.963 1.00 10.00 O ATOM 0 H GLU A 14 -4.945 -1.991 -0.835 1.00 10.00 H new ATOM 0 HA GLU A 14 -2.626 -3.671 -1.373 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -4.370 -1.550 -2.632 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -2.769 -1.718 -3.324 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -4.332 -4.250 -2.802 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -4.841 -3.250 -4.148 1.00 10.00 H new ATOM 235 N VAL A 15 -2.055 -0.528 -0.623 1.00 10.00 N ATOM 236 CA VAL A 15 -0.949 0.397 -0.216 1.00 10.00 C ATOM 237 C VAL A 15 -0.318 -0.087 1.098 1.00 10.00 C ATOM 238 O VAL A 15 0.881 -0.003 1.284 1.00 10.00 O ATOM 239 CB VAL A 15 -1.609 1.769 -0.028 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.571 2.781 0.467 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.183 2.251 -1.364 1.00 10.00 C ATOM 0 H VAL A 15 -2.990 -0.123 -0.586 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.152 0.437 -0.959 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.410 1.681 0.706 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -1.045 3.754 0.599 1.00 10.00 H new ATOM 0 HG12 VAL A 15 -0.161 2.445 1.419 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.233 2.865 -0.265 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.651 3.226 -1.228 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.380 2.333 -2.097 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -2.927 1.537 -1.719 1.00 10.00 H new ATOM 251 N LEU A 16 -1.119 -0.600 2.006 1.00 10.00 N ATOM 252 CA LEU A 16 -0.570 -1.099 3.306 1.00 10.00 C ATOM 253 C LEU A 16 0.487 -2.182 3.047 1.00 10.00 C ATOM 254 O LEU A 16 1.555 -2.167 3.628 1.00 10.00 O ATOM 255 CB LEU A 16 -1.773 -1.684 4.056 1.00 10.00 C ATOM 256 CG LEU A 16 -1.402 -1.916 5.523 1.00 10.00 C ATOM 257 CD1 LEU A 16 -1.588 -0.617 6.311 1.00 10.00 C ATOM 258 CD2 LEU A 16 -2.307 -3.001 6.113 1.00 10.00 C ATOM 0 H LEU A 16 -2.129 -0.694 1.900 1.00 10.00 H new ATOM 0 HA LEU A 16 -0.085 -0.310 3.880 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.622 -1.004 3.989 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -2.080 -2.623 3.595 1.00 10.00 H new ATOM 0 HG LEU A 16 -0.361 -2.234 5.586 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.324 -0.784 7.355 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -0.945 0.157 5.893 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.628 -0.298 6.247 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -2.043 -3.167 7.158 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -3.347 -2.682 6.048 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -2.176 -3.928 5.554 1.00 10.00 H new ATOM 270 N SER A 17 0.199 -3.109 2.164 1.00 10.00 N ATOM 271 CA SER A 17 1.194 -4.180 1.848 1.00 10.00 C ATOM 272 C SER A 17 2.309 -3.601 0.969 1.00 10.00 C ATOM 273 O SER A 17 3.464 -3.959 1.099 1.00 10.00 O ATOM 274 CB SER A 17 0.409 -5.254 1.090 1.00 10.00 C ATOM 275 OG SER A 17 0.963 -6.532 1.378 1.00 10.00 O ATOM 0 H SER A 17 -0.680 -3.169 1.650 1.00 10.00 H new ATOM 0 HA SER A 17 1.664 -4.589 2.742 1.00 10.00 H new ATOM 0 HB2 SER A 17 -0.641 -5.226 1.381 1.00 10.00 H new ATOM 0 HB3 SER A 17 0.448 -5.061 0.018 1.00 10.00 H new ATOM 0 HG SER A 17 0.462 -7.222 0.896 1.00 10.00 H new ATOM 281 N ASP A 18 1.964 -2.695 0.083 1.00 10.00 N ATOM 282 CA ASP A 18 2.991 -2.072 -0.807 1.00 10.00 C ATOM 283 C ASP A 18 3.990 -1.258 0.022 1.00 10.00 C ATOM 284 O ASP A 18 5.160 -1.233 -0.278 1.00 10.00 O ATOM 285 CB ASP A 18 2.203 -1.152 -1.749 1.00 10.00 C ATOM 286 CG ASP A 18 3.164 -0.225 -2.498 1.00 10.00 C ATOM 287 OD1 ASP A 18 3.780 -0.682 -3.445 1.00 10.00 O ATOM 288 OD2 ASP A 18 3.271 0.927 -2.109 1.00 10.00 O ATOM 0 H ASP A 18 1.011 -2.361 -0.061 1.00 10.00 H new ATOM 0 HA ASP A 18 3.565 -2.820 -1.354 1.00 10.00 H new ATOM 0 HB2 ASP A 18 1.632 -1.749 -2.460 1.00 10.00 H new ATOM 0 HB3 ASP A 18 1.485 -0.562 -1.179 1.00 10.00 H new ATOM 293 N PHE A 19 3.533 -0.593 1.057 1.00 10.00 N ATOM 294 CA PHE A 19 4.458 0.227 1.907 1.00 10.00 C ATOM 295 C PHE A 19 5.731 -0.562 2.250 1.00 10.00 C ATOM 296 O PHE A 19 6.825 -0.029 2.221 1.00 10.00 O ATOM 297 CB PHE A 19 3.660 0.533 3.178 1.00 10.00 C ATOM 298 CG PHE A 19 3.580 2.028 3.379 1.00 10.00 C ATOM 299 CD1 PHE A 19 2.774 2.805 2.538 1.00 10.00 C ATOM 300 CD2 PHE A 19 4.311 2.637 4.407 1.00 10.00 C ATOM 301 CE1 PHE A 19 2.700 4.190 2.724 1.00 10.00 C ATOM 302 CE2 PHE A 19 4.237 4.022 4.592 1.00 10.00 C ATOM 303 CZ PHE A 19 3.431 4.798 3.751 1.00 10.00 C ATOM 0 H PHE A 19 2.556 -0.582 1.351 1.00 10.00 H new ATOM 0 HA PHE A 19 4.783 1.133 1.395 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.657 0.112 3.100 1.00 10.00 H new ATOM 0 HB3 PHE A 19 4.136 0.065 4.040 1.00 10.00 H new ATOM 0 HD1 PHE A 19 2.210 2.335 1.746 1.00 10.00 H new ATOM 0 HD2 PHE A 19 4.932 2.038 5.057 1.00 10.00 H new ATOM 0 HE1 PHE A 19 2.079 4.790 2.075 1.00 10.00 H new ATOM 0 HE2 PHE A 19 4.802 4.492 5.384 1.00 10.00 H new ATOM 0 HZ PHE A 19 3.373 5.867 3.895 1.00 10.00 H new ATOM 313 N LYS A 20 5.595 -1.828 2.564 1.00 10.00 N ATOM 314 CA LYS A 20 6.796 -2.655 2.902 1.00 10.00 C ATOM 315 C LYS A 20 7.682 -2.845 1.661 1.00 10.00 C ATOM 316 O LYS A 20 8.886 -2.683 1.723 1.00 10.00 O ATOM 317 CB LYS A 20 6.237 -3.999 3.377 1.00 10.00 C ATOM 318 CG LYS A 20 7.348 -4.809 4.048 1.00 10.00 C ATOM 319 CD LYS A 20 6.731 -5.912 4.914 1.00 10.00 C ATOM 320 CE LYS A 20 7.288 -5.825 6.340 1.00 10.00 C ATOM 321 NZ LYS A 20 8.691 -6.328 6.247 1.00 10.00 N ATOM 0 H LYS A 20 4.705 -2.324 2.601 1.00 10.00 H new ATOM 0 HA LYS A 20 7.418 -2.183 3.663 1.00 10.00 H new ATOM 0 HB2 LYS A 20 5.418 -3.836 4.078 1.00 10.00 H new ATOM 0 HB3 LYS A 20 5.829 -4.553 2.532 1.00 10.00 H new ATOM 0 HG2 LYS A 20 7.999 -5.248 3.292 1.00 10.00 H new ATOM 0 HG3 LYS A 20 7.968 -4.155 4.662 1.00 10.00 H new ATOM 0 HD2 LYS A 20 5.646 -5.810 4.931 1.00 10.00 H new ATOM 0 HD3 LYS A 20 6.953 -6.890 4.486 1.00 10.00 H new ATOM 0 HE2 LYS A 20 7.261 -4.800 6.711 1.00 10.00 H new ATOM 0 HE3 LYS A 20 6.699 -6.429 7.030 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 8.904 -6.917 7.077 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 8.800 -6.896 5.382 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 9.347 -5.522 6.217 1.00 10.00 H new ATOM 335 N THR A 21 7.097 -3.185 0.535 1.00 10.00 N ATOM 336 CA THR A 21 7.911 -3.379 -0.709 1.00 10.00 C ATOM 337 C THR A 21 8.341 -2.023 -1.282 1.00 10.00 C ATOM 338 O THR A 21 9.419 -1.894 -1.829 1.00 10.00 O ATOM 339 CB THR A 21 6.995 -4.121 -1.694 1.00 10.00 C ATOM 340 OG1 THR A 21 5.705 -3.521 -1.703 1.00 10.00 O ATOM 341 CG2 THR A 21 6.872 -5.587 -1.273 1.00 10.00 C ATOM 0 H THR A 21 6.094 -3.336 0.424 1.00 10.00 H new ATOM 0 HA THR A 21 8.823 -3.942 -0.512 1.00 10.00 H new ATOM 0 HB THR A 21 7.424 -4.062 -2.694 1.00 10.00 H new ATOM 0 HG1 THR A 21 5.743 -2.656 -1.244 1.00 10.00 H new ATOM 0 HG21 THR A 21 6.222 -6.113 -1.972 1.00 10.00 H new ATOM 0 HG22 THR A 21 7.859 -6.050 -1.276 1.00 10.00 H new ATOM 0 HG23 THR A 21 6.448 -5.643 -0.271 1.00 10.00 H new ATOM 349 N TRP A 22 7.514 -1.014 -1.152 1.00 10.00 N ATOM 350 CA TRP A 22 7.872 0.341 -1.674 1.00 10.00 C ATOM 351 C TRP A 22 9.199 0.795 -1.062 1.00 10.00 C ATOM 352 O TRP A 22 10.105 1.207 -1.758 1.00 10.00 O ATOM 353 CB TRP A 22 6.735 1.257 -1.218 1.00 10.00 C ATOM 354 CG TRP A 22 6.650 2.446 -2.122 1.00 10.00 C ATOM 355 CD1 TRP A 22 6.015 2.472 -3.316 1.00 10.00 C ATOM 356 CD2 TRP A 22 7.208 3.776 -1.924 1.00 10.00 C ATOM 357 NE1 TRP A 22 6.148 3.735 -3.864 1.00 10.00 N ATOM 358 CE2 TRP A 22 6.875 4.576 -3.044 1.00 10.00 C ATOM 359 CE3 TRP A 22 7.963 4.362 -0.892 1.00 10.00 C ATOM 360 CZ2 TRP A 22 7.277 5.909 -3.135 1.00 10.00 C ATOM 361 CZ3 TRP A 22 8.368 5.703 -0.981 1.00 10.00 C ATOM 362 CH2 TRP A 22 8.026 6.475 -2.101 1.00 10.00 C ATOM 0 H TRP A 22 6.600 -1.072 -0.703 1.00 10.00 H new ATOM 0 HA TRP A 22 7.992 0.352 -2.757 1.00 10.00 H new ATOM 0 HB2 TRP A 22 5.791 0.713 -1.228 1.00 10.00 H new ATOM 0 HB3 TRP A 22 6.906 1.581 -0.191 1.00 10.00 H new ATOM 0 HD1 TRP A 22 5.490 1.643 -3.767 1.00 10.00 H new ATOM 0 HE1 TRP A 22 5.757 4.012 -4.764 1.00 10.00 H new ATOM 0 HE3 TRP A 22 8.233 3.776 -0.026 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 7.011 6.499 -3.999 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 8.946 6.143 -0.182 1.00 10.00 H new ATOM 0 HH2 TRP A 22 8.342 7.506 -2.164 1.00 10.00 H new ATOM 373 N LEU A 23 9.312 0.709 0.241 1.00 10.00 N ATOM 374 CA LEU A 23 10.581 1.121 0.919 1.00 10.00 C ATOM 375 C LEU A 23 11.734 0.202 0.487 1.00 10.00 C ATOM 376 O LEU A 23 12.838 0.656 0.244 1.00 10.00 O ATOM 377 CB LEU A 23 10.306 0.973 2.420 1.00 10.00 C ATOM 378 CG LEU A 23 9.949 2.339 3.015 1.00 10.00 C ATOM 379 CD1 LEU A 23 8.467 2.635 2.775 1.00 10.00 C ATOM 380 CD2 LEU A 23 10.226 2.327 4.521 1.00 10.00 C ATOM 0 H LEU A 23 8.579 0.371 0.865 1.00 10.00 H new ATOM 0 HA LEU A 23 10.872 2.140 0.662 1.00 10.00 H new ATOM 0 HB2 LEU A 23 9.489 0.270 2.583 1.00 10.00 H new ATOM 0 HB3 LEU A 23 11.183 0.565 2.922 1.00 10.00 H new ATOM 0 HG LEU A 23 10.554 3.109 2.537 1.00 10.00 H new ATOM 0 HD11 LEU A 23 8.217 3.607 3.200 1.00 10.00 H new ATOM 0 HD12 LEU A 23 8.267 2.644 1.704 1.00 10.00 H new ATOM 0 HD13 LEU A 23 7.860 1.864 3.251 1.00 10.00 H new ATOM 0 HD21 LEU A 23 9.972 3.298 4.945 1.00 10.00 H new ATOM 0 HD22 LEU A 23 9.621 1.554 4.996 1.00 10.00 H new ATOM 0 HD23 LEU A 23 11.282 2.120 4.695 1.00 10.00 H new ATOM 392 N LYS A 24 11.480 -1.083 0.376 1.00 10.00 N ATOM 393 CA LYS A 24 12.557 -2.030 -0.056 1.00 10.00 C ATOM 394 C LYS A 24 12.978 -1.718 -1.498 1.00 10.00 C ATOM 395 O LYS A 24 14.146 -1.760 -1.835 1.00 10.00 O ATOM 396 CB LYS A 24 11.929 -3.425 0.029 1.00 10.00 C ATOM 397 CG LYS A 24 11.939 -3.906 1.482 1.00 10.00 C ATOM 398 CD LYS A 24 10.979 -5.089 1.639 1.00 10.00 C ATOM 399 CE LYS A 24 11.693 -6.389 1.251 1.00 10.00 C ATOM 400 NZ LYS A 24 10.860 -6.985 0.166 1.00 10.00 N ATOM 0 H LYS A 24 10.575 -1.514 0.566 1.00 10.00 H new ATOM 0 HA LYS A 24 13.449 -1.952 0.566 1.00 10.00 H new ATOM 0 HB2 LYS A 24 10.907 -3.398 -0.349 1.00 10.00 H new ATOM 0 HB3 LYS A 24 12.483 -4.123 -0.599 1.00 10.00 H new ATOM 0 HG2 LYS A 24 12.947 -4.202 1.770 1.00 10.00 H new ATOM 0 HG3 LYS A 24 11.643 -3.094 2.146 1.00 10.00 H new ATOM 0 HD2 LYS A 24 10.627 -5.150 2.669 1.00 10.00 H new ATOM 0 HD3 LYS A 24 10.101 -4.943 1.010 1.00 10.00 H new ATOM 0 HE2 LYS A 24 12.708 -6.193 0.905 1.00 10.00 H new ATOM 0 HE3 LYS A 24 11.772 -7.064 2.103 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 11.288 -7.879 -0.149 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 9.901 -7.168 0.525 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 10.809 -6.324 -0.635 1.00 10.00 H new ATOM 414 N ALA A 25 12.031 -1.396 -2.345 1.00 10.00 N ATOM 415 CA ALA A 25 12.362 -1.065 -3.765 1.00 10.00 C ATOM 416 C ALA A 25 13.010 0.325 -3.852 1.00 10.00 C ATOM 417 O ALA A 25 13.818 0.584 -4.723 1.00 10.00 O ATOM 418 CB ALA A 25 11.022 -1.080 -4.503 1.00 10.00 C ATOM 0 H ALA A 25 11.039 -1.348 -2.112 1.00 10.00 H new ATOM 0 HA ALA A 25 13.071 -1.772 -4.196 1.00 10.00 H new ATOM 0 HB1 ALA A 25 11.183 -0.845 -5.555 1.00 10.00 H new ATOM 0 HB2 ALA A 25 10.570 -2.068 -4.417 1.00 10.00 H new ATOM 0 HB3 ALA A 25 10.356 -0.337 -4.063 1.00 10.00 H new ATOM 424 N LYS A 26 12.659 1.219 -2.955 1.00 10.00 N ATOM 425 CA LYS A 26 13.251 2.592 -2.983 1.00 10.00 C ATOM 426 C LYS A 26 14.729 2.550 -2.574 1.00 10.00 C ATOM 427 O LYS A 26 15.559 3.206 -3.173 1.00 10.00 O ATOM 428 CB LYS A 26 12.435 3.402 -1.970 1.00 10.00 C ATOM 429 CG LYS A 26 12.928 4.853 -1.957 1.00 10.00 C ATOM 430 CD LYS A 26 11.745 5.797 -1.721 1.00 10.00 C ATOM 431 CE LYS A 26 11.432 6.566 -3.009 1.00 10.00 C ATOM 432 NZ LYS A 26 12.402 7.699 -3.037 1.00 10.00 N ATOM 0 H LYS A 26 11.987 1.054 -2.205 1.00 10.00 H new ATOM 0 HA LYS A 26 13.214 3.031 -3.980 1.00 10.00 H new ATOM 0 HB2 LYS A 26 11.377 3.369 -2.230 1.00 10.00 H new ATOM 0 HB3 LYS A 26 12.533 2.965 -0.976 1.00 10.00 H new ATOM 0 HG2 LYS A 26 13.674 4.987 -1.174 1.00 10.00 H new ATOM 0 HG3 LYS A 26 13.413 5.091 -2.904 1.00 10.00 H new ATOM 0 HD2 LYS A 26 10.871 5.228 -1.404 1.00 10.00 H new ATOM 0 HD3 LYS A 26 11.979 6.495 -0.917 1.00 10.00 H new ATOM 0 HE2 LYS A 26 11.547 5.928 -3.886 1.00 10.00 H new ATOM 0 HE3 LYS A 26 10.404 6.928 -3.011 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 12.246 8.269 -3.893 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 12.265 8.294 -2.195 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 13.372 7.325 -3.043 1.00 10.00 H new ATOM 446 N LEU A 27 15.063 1.791 -1.557 1.00 10.00 N ATOM 447 CA LEU A 27 16.488 1.716 -1.111 1.00 10.00 C ATOM 448 C LEU A 27 16.849 0.283 -0.703 1.00 10.00 C ATOM 449 O LEU A 27 16.103 -0.380 -0.007 1.00 10.00 O ATOM 450 CB LEU A 27 16.577 2.657 0.092 1.00 10.00 C ATOM 451 CG LEU A 27 17.832 3.527 -0.027 1.00 10.00 C ATOM 452 CD1 LEU A 27 17.616 4.843 0.722 1.00 10.00 C ATOM 453 CD2 LEU A 27 19.027 2.787 0.577 1.00 10.00 C ATOM 0 H LEU A 27 14.410 1.222 -1.018 1.00 10.00 H new ATOM 0 HA LEU A 27 17.181 1.999 -1.903 1.00 10.00 H new ATOM 0 HB2 LEU A 27 15.689 3.287 0.140 1.00 10.00 H new ATOM 0 HB3 LEU A 27 16.609 2.080 1.016 1.00 10.00 H new ATOM 0 HG LEU A 27 18.028 3.736 -1.079 1.00 10.00 H new ATOM 0 HD11 LEU A 27 18.510 5.461 0.637 1.00 10.00 H new ATOM 0 HD12 LEU A 27 16.766 5.372 0.290 1.00 10.00 H new ATOM 0 HD13 LEU A 27 17.418 4.635 1.773 1.00 10.00 H new ATOM 0 HD21 LEU A 27 19.920 3.407 0.492 1.00 10.00 H new ATOM 0 HD22 LEU A 27 18.831 2.576 1.628 1.00 10.00 H new ATOM 0 HD23 LEU A 27 19.183 1.850 0.042 1.00 10.00 H new ATOM 465 N MET A 28 17.997 -0.189 -1.129 1.00 10.00 N ATOM 466 CA MET A 28 18.431 -1.578 -0.773 1.00 10.00 C ATOM 467 C MET A 28 19.898 -1.825 -1.193 1.00 10.00 C ATOM 468 O MET A 28 20.716 -2.150 -0.354 1.00 10.00 O ATOM 469 CB MET A 28 17.467 -2.515 -1.518 1.00 10.00 C ATOM 470 CG MET A 28 17.915 -3.971 -1.351 1.00 10.00 C ATOM 471 SD MET A 28 18.027 -4.758 -2.978 1.00 10.00 S ATOM 472 CE MET A 28 19.554 -5.682 -2.681 1.00 10.00 C ATOM 0 H MET A 28 18.655 0.330 -1.710 1.00 10.00 H new ATOM 0 HA MET A 28 18.396 -1.749 0.303 1.00 10.00 H new ATOM 0 HB2 MET A 28 16.455 -2.391 -1.132 1.00 10.00 H new ATOM 0 HB3 MET A 28 17.438 -2.254 -2.576 1.00 10.00 H new ATOM 0 HG2 MET A 28 18.882 -4.010 -0.849 1.00 10.00 H new ATOM 0 HG3 MET A 28 17.207 -4.511 -0.722 1.00 10.00 H new ATOM 0 HE1 MET A 28 19.814 -6.251 -3.573 1.00 10.00 H new ATOM 0 HE2 MET A 28 20.360 -4.987 -2.446 1.00 10.00 H new ATOM 0 HE3 MET A 28 19.409 -6.366 -1.844 1.00 10.00 H new ATOM 482 N PRO A 29 20.196 -1.672 -2.473 1.00 10.00 N ATOM 483 CA PRO A 29 21.590 -1.896 -2.959 1.00 10.00 C ATOM 484 C PRO A 29 22.538 -0.779 -2.493 1.00 10.00 C ATOM 485 O PRO A 29 22.154 0.115 -1.761 1.00 10.00 O ATOM 486 CB PRO A 29 21.448 -1.880 -4.479 1.00 10.00 C ATOM 487 CG PRO A 29 20.216 -1.078 -4.746 1.00 10.00 C ATOM 488 CD PRO A 29 19.295 -1.290 -3.574 1.00 10.00 C ATOM 0 HA PRO A 29 22.018 -2.822 -2.576 1.00 10.00 H new ATOM 0 HB2 PRO A 29 22.321 -1.431 -4.952 1.00 10.00 H new ATOM 0 HB3 PRO A 29 21.355 -2.890 -4.877 1.00 10.00 H new ATOM 0 HG2 PRO A 29 20.460 -0.022 -4.860 1.00 10.00 H new ATOM 0 HG3 PRO A 29 19.741 -1.397 -5.674 1.00 10.00 H new ATOM 0 HD2 PRO A 29 18.737 -0.384 -3.336 1.00 10.00 H new ATOM 0 HD3 PRO A 29 18.563 -2.071 -3.779 1.00 10.00 H new ATOM 496 N GLN A 30 23.776 -0.833 -2.920 1.00 10.00 N ATOM 497 CA GLN A 30 24.768 0.217 -2.515 1.00 10.00 C ATOM 498 C GLN A 30 24.491 1.538 -3.250 1.00 10.00 C ATOM 499 O GLN A 30 24.771 2.606 -2.739 1.00 10.00 O ATOM 500 CB GLN A 30 26.137 -0.344 -2.918 1.00 10.00 C ATOM 501 CG GLN A 30 26.783 -1.038 -1.715 1.00 10.00 C ATOM 502 CD GLN A 30 27.805 -2.068 -2.204 1.00 10.00 C ATOM 503 OE1 GLN A 30 27.551 -3.256 -2.171 1.00 10.00 O ATOM 504 NE2 GLN A 30 28.960 -1.663 -2.660 1.00 10.00 N ATOM 0 H GLN A 30 24.145 -1.560 -3.533 1.00 10.00 H new ATOM 0 HA GLN A 30 24.714 0.435 -1.448 1.00 10.00 H new ATOM 0 HB2 GLN A 30 26.024 -1.050 -3.740 1.00 10.00 H new ATOM 0 HB3 GLN A 30 26.780 0.460 -3.275 1.00 10.00 H new ATOM 0 HG2 GLN A 30 27.271 -0.302 -1.076 1.00 10.00 H new ATOM 0 HG3 GLN A 30 26.019 -1.527 -1.111 1.00 10.00 H new ATOM 0 HE21 GLN A 30 29.176 -0.667 -2.689 1.00 10.00 H new ATOM 0 HE22 GLN A 30 29.646 -2.343 -2.987 1.00 10.00 H new ATOM 513 N LEU A 31 23.948 1.471 -4.442 1.00 10.00 N ATOM 514 CA LEU A 31 23.653 2.719 -5.210 1.00 10.00 C ATOM 515 C LEU A 31 22.142 2.872 -5.418 1.00 10.00 C ATOM 516 O LEU A 31 21.646 3.968 -5.217 1.00 10.00 O ATOM 517 CB LEU A 31 24.365 2.541 -6.555 1.00 10.00 C ATOM 518 CG LEU A 31 25.876 2.710 -6.364 1.00 10.00 C ATOM 519 CD1 LEU A 31 26.564 1.351 -6.494 1.00 10.00 C ATOM 520 CD2 LEU A 31 26.422 3.662 -7.432 1.00 10.00 C ATOM 521 OXT LEU A 31 21.506 1.891 -5.773 1.00 10.00 O ATOM 0 H LEU A 31 23.696 0.603 -4.916 1.00 10.00 H new ATOM 0 HA LEU A 31 23.993 3.612 -4.686 1.00 10.00 H new ATOM 0 HB2 LEU A 31 24.148 1.554 -6.965 1.00 10.00 H new ATOM 0 HB3 LEU A 31 23.995 3.273 -7.273 1.00 10.00 H new ATOM 0 HG LEU A 31 26.072 3.122 -5.374 1.00 10.00 H new ATOM 0 HD11 LEU A 31 27.639 1.473 -6.358 1.00 10.00 H new ATOM 0 HD12 LEU A 31 26.176 0.673 -5.734 1.00 10.00 H new ATOM 0 HD13 LEU A 31 26.368 0.937 -7.483 1.00 10.00 H new ATOM 0 HD21 LEU A 31 27.497 3.783 -7.297 1.00 10.00 H new ATOM 0 HD22 LEU A 31 26.225 3.250 -8.422 1.00 10.00 H new ATOM 0 HD23 LEU A 31 25.933 4.632 -7.339 1.00 10.00 H new TER 533 LEU A 31