USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=8 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= 0.152 (180deg=0.0104) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0627 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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+ 161:sc=-0.000195 (180deg=-0.521) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00994 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0974) 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 -25.190 -0.024 4.604 1.00 10.00 N ATOM 2 CA SER A 1 -25.685 0.941 3.575 1.00 10.00 C ATOM 3 C SER A 1 -24.765 0.932 2.347 1.00 10.00 C ATOM 4 O SER A 1 -23.697 0.349 2.365 1.00 10.00 O ATOM 5 CB SER A 1 -25.649 2.311 4.256 1.00 10.00 C ATOM 6 OG SER A 1 -26.406 2.259 5.459 1.00 10.00 O ATOM 0 H1 SER A 1 -25.375 0.356 5.554 1.00 10.00 H new ATOM 0 H2 SER A 1 -25.683 -0.933 4.493 1.00 10.00 H new ATOM 0 H3 SER A 1 -24.167 -0.167 4.482 1.00 10.00 H new ATOM 0 HA SER A 1 -26.685 0.685 3.226 1.00 10.00 H new ATOM 0 HB2 SER A 1 -24.619 2.595 4.473 1.00 10.00 H new ATOM 0 HB3 SER A 1 -26.056 3.072 3.590 1.00 10.00 H new ATOM 0 HG SER A 1 -26.383 3.135 5.898 1.00 10.00 H new ATOM 14 N GLY A 2 -25.175 1.580 1.282 1.00 10.00 N ATOM 15 CA GLY A 2 -24.330 1.621 0.052 1.00 10.00 C ATOM 16 C GLY A 2 -23.227 2.667 0.229 1.00 10.00 C ATOM 17 O GLY A 2 -23.374 3.808 -0.167 1.00 10.00 O ATOM 0 H GLY A 2 -26.060 2.082 1.214 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -23.891 0.641 -0.134 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -24.943 1.865 -0.816 1.00 10.00 H new ATOM 21 N SER A 3 -22.126 2.286 0.827 1.00 10.00 N ATOM 22 CA SER A 3 -21.010 3.255 1.043 1.00 10.00 C ATOM 23 C SER A 3 -19.878 3.000 0.042 1.00 10.00 C ATOM 24 O SER A 3 -19.405 1.887 -0.102 1.00 10.00 O ATOM 25 CB SER A 3 -20.530 2.997 2.472 1.00 10.00 C ATOM 26 OG SER A 3 -20.503 4.225 3.188 1.00 10.00 O ATOM 0 H SER A 3 -21.952 1.343 1.175 1.00 10.00 H new ATOM 0 HA SER A 3 -21.330 4.287 0.900 1.00 10.00 H new ATOM 0 HB2 SER A 3 -21.193 2.288 2.968 1.00 10.00 H new ATOM 0 HB3 SER A 3 -19.537 2.549 2.459 1.00 10.00 H new ATOM 0 HG SER A 3 -20.197 4.062 4.105 1.00 10.00 H new ATOM 32 N TRP A 4 -19.434 4.028 -0.642 1.00 10.00 N ATOM 33 CA TRP A 4 -18.322 3.858 -1.630 1.00 10.00 C ATOM 34 C TRP A 4 -16.966 3.757 -0.910 1.00 10.00 C ATOM 35 O TRP A 4 -15.963 3.423 -1.515 1.00 10.00 O ATOM 36 CB TRP A 4 -18.374 5.109 -2.511 1.00 10.00 C ATOM 37 CG TRP A 4 -17.893 4.771 -3.887 1.00 10.00 C ATOM 38 CD1 TRP A 4 -18.599 4.072 -4.806 1.00 10.00 C ATOM 39 CD2 TRP A 4 -16.622 5.105 -4.514 1.00 10.00 C ATOM 40 NE1 TRP A 4 -17.840 3.953 -5.956 1.00 10.00 N ATOM 41 CE2 TRP A 4 -16.613 4.573 -5.825 1.00 10.00 C ATOM 42 CE3 TRP A 4 -15.486 5.809 -4.078 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -15.517 4.734 -6.672 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -14.380 5.972 -4.928 1.00 10.00 C ATOM 45 CH2 TRP A 4 -14.396 5.436 -6.223 1.00 10.00 C ATOM 0 H TRP A 4 -19.795 4.978 -0.558 1.00 10.00 H new ATOM 0 HA TRP A 4 -18.433 2.944 -2.214 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -19.393 5.494 -2.555 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -17.754 5.896 -2.081 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -19.592 3.673 -4.665 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -18.149 3.467 -6.798 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -15.464 6.227 -3.083 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -15.535 4.319 -7.669 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -13.512 6.514 -4.582 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -13.543 5.566 -6.873 1.00 10.00 H new ATOM 56 N LEU A 5 -16.928 4.038 0.376 1.00 10.00 N ATOM 57 CA LEU A 5 -15.638 3.952 1.134 1.00 10.00 C ATOM 58 C LEU A 5 -15.056 2.534 1.052 1.00 10.00 C ATOM 59 O LEU A 5 -13.855 2.354 1.100 1.00 10.00 O ATOM 60 CB LEU A 5 -15.995 4.301 2.586 1.00 10.00 C ATOM 61 CG LEU A 5 -15.425 5.678 2.953 1.00 10.00 C ATOM 62 CD1 LEU A 5 -13.901 5.670 2.794 1.00 10.00 C ATOM 63 CD2 LEU A 5 -16.028 6.748 2.037 1.00 10.00 C ATOM 0 H LEU A 5 -17.735 4.323 0.930 1.00 10.00 H new ATOM 0 HA LEU A 5 -14.885 4.626 0.726 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -17.078 4.302 2.712 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -15.596 3.542 3.259 1.00 10.00 H new ATOM 0 HG LEU A 5 -15.678 5.903 3.989 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -13.503 6.650 3.056 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -13.470 4.916 3.452 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -13.644 5.439 1.760 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -15.621 7.724 2.301 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -15.782 6.520 1.000 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -17.111 6.762 2.158 1.00 10.00 H new ATOM 75 N ARG A 6 -15.895 1.529 0.920 1.00 10.00 N ATOM 76 CA ARG A 6 -15.383 0.123 0.825 1.00 10.00 C ATOM 77 C ARG A 6 -14.412 -0.007 -0.356 1.00 10.00 C ATOM 78 O ARG A 6 -13.346 -0.580 -0.227 1.00 10.00 O ATOM 79 CB ARG A 6 -16.624 -0.749 0.604 1.00 10.00 C ATOM 80 CG ARG A 6 -16.492 -2.044 1.410 1.00 10.00 C ATOM 81 CD ARG A 6 -17.778 -2.289 2.205 1.00 10.00 C ATOM 82 NE ARG A 6 -17.390 -3.248 3.280 1.00 10.00 N ATOM 83 CZ ARG A 6 -17.745 -4.503 3.199 1.00 10.00 C ATOM 84 NH1 ARG A 6 -18.994 -4.840 3.397 1.00 10.00 N ATOM 85 NH2 ARG A 6 -16.854 -5.418 2.922 1.00 10.00 N ATOM 0 H ARG A 6 -16.910 1.623 0.874 1.00 10.00 H new ATOM 0 HA ARG A 6 -14.837 -0.176 1.720 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -17.520 -0.208 0.909 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -16.736 -0.978 -0.456 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -16.301 -2.883 0.741 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -15.641 -1.977 2.088 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -18.165 -1.361 2.625 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -18.562 -2.703 1.570 1.00 10.00 H new ATOM 0 HE ARG A 6 -16.847 -2.923 4.080 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -19.687 -4.124 3.614 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -19.274 -5.819 3.334 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -15.881 -5.153 2.769 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -17.131 -6.397 2.859 1.00 10.00 H new ATOM 99 N ASP A 7 -14.767 0.532 -1.499 1.00 10.00 N ATOM 100 CA ASP A 7 -13.855 0.455 -2.684 1.00 10.00 C ATOM 101 C ASP A 7 -12.573 1.245 -2.396 1.00 10.00 C ATOM 102 O ASP A 7 -11.480 0.786 -2.668 1.00 10.00 O ATOM 103 CB ASP A 7 -14.637 1.088 -3.841 1.00 10.00 C ATOM 104 CG ASP A 7 -13.706 1.307 -5.037 1.00 10.00 C ATOM 105 OD1 ASP A 7 -13.154 0.332 -5.523 1.00 10.00 O ATOM 106 OD2 ASP A 7 -13.564 2.447 -5.448 1.00 10.00 O ATOM 0 H ASP A 7 -15.647 1.021 -1.662 1.00 10.00 H new ATOM 0 HA ASP A 7 -13.560 -0.568 -2.919 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -15.467 0.442 -4.128 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -15.067 2.038 -3.525 1.00 10.00 H new ATOM 111 N ILE A 8 -12.703 2.425 -1.833 1.00 10.00 N ATOM 112 CA ILE A 8 -11.492 3.242 -1.505 1.00 10.00 C ATOM 113 C ILE A 8 -10.598 2.456 -0.536 1.00 10.00 C ATOM 114 O ILE A 8 -9.393 2.402 -0.693 1.00 10.00 O ATOM 115 CB ILE A 8 -12.029 4.516 -0.837 1.00 10.00 C ATOM 116 CG1 ILE A 8 -12.799 5.353 -1.865 1.00 10.00 C ATOM 117 CG2 ILE A 8 -10.863 5.344 -0.287 1.00 10.00 C ATOM 118 CD1 ILE A 8 -13.927 6.112 -1.165 1.00 10.00 C ATOM 0 H ILE A 8 -13.594 2.856 -1.587 1.00 10.00 H new ATOM 0 HA ILE A 8 -10.894 3.479 -2.385 1.00 10.00 H new ATOM 0 HB ILE A 8 -12.694 4.235 -0.021 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -12.125 6.055 -2.356 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -13.209 4.707 -2.642 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -11.249 6.247 0.186 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -10.314 4.756 0.448 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -10.195 5.619 -1.103 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -14.474 6.707 -1.897 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -14.606 5.401 -0.694 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -13.506 6.770 -0.405 1.00 10.00 H new ATOM 130 N TRP A 9 -11.193 1.832 0.454 1.00 10.00 N ATOM 131 CA TRP A 9 -10.401 1.026 1.432 1.00 10.00 C ATOM 132 C TRP A 9 -9.740 -0.157 0.713 1.00 10.00 C ATOM 133 O TRP A 9 -8.628 -0.539 1.026 1.00 10.00 O ATOM 134 CB TRP A 9 -11.423 0.535 2.464 1.00 10.00 C ATOM 135 CG TRP A 9 -10.714 -0.137 3.600 1.00 10.00 C ATOM 136 CD1 TRP A 9 -10.992 -1.378 4.063 1.00 10.00 C ATOM 137 CD2 TRP A 9 -9.620 0.370 4.420 1.00 10.00 C ATOM 138 NE1 TRP A 9 -10.139 -1.664 5.114 1.00 10.00 N ATOM 139 CE2 TRP A 9 -9.275 -0.618 5.372 1.00 10.00 C ATOM 140 CE3 TRP A 9 -8.903 1.580 4.431 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -8.254 -0.414 6.300 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -7.874 1.788 5.364 1.00 10.00 C ATOM 143 CH2 TRP A 9 -7.550 0.793 6.296 1.00 10.00 C ATOM 0 H TRP A 9 -12.198 1.848 0.625 1.00 10.00 H new ATOM 0 HA TRP A 9 -9.603 1.601 1.901 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -12.010 1.375 2.836 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -12.121 -0.160 1.996 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -11.755 -2.037 3.675 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -10.147 -2.541 5.635 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -9.145 2.354 3.718 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -8.009 -1.184 7.017 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -7.329 2.720 5.363 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -6.757 0.959 7.010 1.00 10.00 H new ATOM 154 N ASP A 10 -10.417 -0.727 -0.257 1.00 10.00 N ATOM 155 CA ASP A 10 -9.836 -1.876 -1.018 1.00 10.00 C ATOM 156 C ASP A 10 -8.556 -1.431 -1.739 1.00 10.00 C ATOM 157 O ASP A 10 -7.548 -2.113 -1.707 1.00 10.00 O ATOM 158 CB ASP A 10 -10.922 -2.267 -2.025 1.00 10.00 C ATOM 159 CG ASP A 10 -10.537 -3.574 -2.714 1.00 10.00 C ATOM 160 OD1 ASP A 10 -10.690 -4.613 -2.094 1.00 10.00 O ATOM 161 OD2 ASP A 10 -10.098 -3.515 -3.850 1.00 10.00 O ATOM 0 H ASP A 10 -11.351 -0.443 -0.554 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.562 -2.712 -0.374 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -11.879 -2.381 -1.516 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -11.046 -1.477 -2.766 1.00 10.00 H new ATOM 166 N TRP A 11 -8.589 -0.283 -2.373 1.00 10.00 N ATOM 167 CA TRP A 11 -7.373 0.223 -3.081 1.00 10.00 C ATOM 168 C TRP A 11 -6.286 0.574 -2.055 1.00 10.00 C ATOM 169 O TRP A 11 -5.119 0.302 -2.264 1.00 10.00 O ATOM 170 CB TRP A 11 -7.838 1.473 -3.836 1.00 10.00 C ATOM 171 CG TRP A 11 -6.663 2.128 -4.490 1.00 10.00 C ATOM 172 CD1 TRP A 11 -6.147 1.780 -5.690 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.849 3.231 -3.997 1.00 10.00 C ATOM 174 NE1 TRP A 11 -5.070 2.601 -5.967 1.00 10.00 N ATOM 175 CE2 TRP A 11 -4.846 3.513 -4.953 1.00 10.00 C ATOM 176 CE3 TRP A 11 -5.886 4.009 -2.825 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -3.911 4.529 -4.756 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -4.946 5.032 -2.622 1.00 10.00 C ATOM 179 CH2 TRP A 11 -3.961 5.291 -3.585 1.00 10.00 C ATOM 0 H TRP A 11 -9.406 0.325 -2.430 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.946 -0.515 -3.760 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -8.581 1.202 -4.586 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -8.319 2.168 -3.148 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -6.516 0.990 -6.328 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -4.509 2.541 -6.817 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -6.642 3.818 -2.077 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -3.155 4.725 -5.502 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -4.982 5.623 -1.719 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -3.241 6.079 -3.422 1.00 10.00 H new ATOM 190 N ILE A 12 -6.667 1.162 -0.942 1.00 10.00 N ATOM 191 CA ILE A 12 -5.660 1.511 0.109 1.00 10.00 C ATOM 192 C ILE A 12 -4.934 0.232 0.558 1.00 10.00 C ATOM 193 O ILE A 12 -3.745 0.241 0.816 1.00 10.00 O ATOM 194 CB ILE A 12 -6.470 2.128 1.261 1.00 10.00 C ATOM 195 CG1 ILE A 12 -6.855 3.566 0.898 1.00 10.00 C ATOM 196 CG2 ILE A 12 -5.631 2.140 2.544 1.00 10.00 C ATOM 197 CD1 ILE A 12 -7.969 4.051 1.828 1.00 10.00 C ATOM 0 H ILE A 12 -7.630 1.414 -0.719 1.00 10.00 H new ATOM 0 HA ILE A 12 -4.899 2.206 -0.246 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.369 1.533 1.424 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -5.986 4.218 0.984 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.187 3.613 -0.139 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -6.212 2.579 3.355 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -5.354 1.119 2.807 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -4.729 2.731 2.383 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.241 5.074 1.568 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -8.840 3.405 1.720 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -7.621 4.020 2.860 1.00 10.00 H new ATOM 209 N CYS A 13 -5.645 -0.870 0.629 1.00 10.00 N ATOM 210 CA CYS A 13 -5.007 -2.159 1.034 1.00 10.00 C ATOM 211 C CYS A 13 -4.061 -2.637 -0.078 1.00 10.00 C ATOM 212 O CYS A 13 -3.017 -3.201 0.186 1.00 10.00 O ATOM 213 CB CYS A 13 -6.169 -3.140 1.221 1.00 10.00 C ATOM 214 SG CYS A 13 -5.564 -4.651 2.013 1.00 10.00 S ATOM 0 H CYS A 13 -6.642 -0.929 0.423 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.413 -2.067 1.944 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -6.949 -2.684 1.831 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.617 -3.377 0.256 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.551 -5.482 2.173 1.00 10.00 H new ATOM 220 N GLU A 14 -4.415 -2.396 -1.321 1.00 10.00 N ATOM 221 CA GLU A 14 -3.532 -2.813 -2.452 1.00 10.00 C ATOM 222 C GLU A 14 -2.195 -2.074 -2.359 1.00 10.00 C ATOM 223 O GLU A 14 -1.139 -2.651 -2.533 1.00 10.00 O ATOM 224 CB GLU A 14 -4.288 -2.408 -3.720 1.00 10.00 C ATOM 225 CG GLU A 14 -4.779 -3.660 -4.451 1.00 10.00 C ATOM 226 CD GLU A 14 -6.082 -3.342 -5.191 1.00 10.00 C ATOM 227 OE1 GLU A 14 -6.038 -2.543 -6.113 1.00 10.00 O ATOM 228 OE2 GLU A 14 -7.100 -3.905 -4.825 1.00 10.00 O ATOM 0 H GLU A 14 -5.278 -1.928 -1.597 1.00 10.00 H new ATOM 0 HA GLU A 14 -3.312 -3.881 -2.441 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -5.134 -1.770 -3.463 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -3.637 -1.826 -4.373 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -4.022 -4.002 -5.157 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -4.941 -4.470 -3.739 1.00 10.00 H new ATOM 235 N VAL A 15 -2.242 -0.800 -2.062 1.00 10.00 N ATOM 236 CA VAL A 15 -0.981 -0.001 -1.930 1.00 10.00 C ATOM 237 C VAL A 15 -0.222 -0.428 -0.663 1.00 10.00 C ATOM 238 O VAL A 15 0.990 -0.341 -0.603 1.00 10.00 O ATOM 239 CB VAL A 15 -1.435 1.462 -1.822 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.213 2.371 -1.650 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.186 1.865 -3.096 1.00 10.00 C ATOM 0 H VAL A 15 -3.102 -0.275 -1.904 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.308 -0.149 -2.774 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.094 1.568 -0.960 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -0.539 3.408 -1.574 1.00 10.00 H new ATOM 0 HG12 VAL A 15 0.324 2.092 -0.743 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.447 2.260 -2.511 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.507 2.904 -3.016 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.527 1.754 -3.957 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -3.059 1.224 -3.222 1.00 10.00 H new ATOM 251 N LEU A 16 -0.930 -0.892 0.344 1.00 10.00 N ATOM 252 CA LEU A 16 -0.259 -1.334 1.607 1.00 10.00 C ATOM 253 C LEU A 16 0.725 -2.474 1.314 1.00 10.00 C ATOM 254 O LEU A 16 1.798 -2.537 1.887 1.00 10.00 O ATOM 255 CB LEU A 16 -1.393 -1.817 2.517 1.00 10.00 C ATOM 256 CG LEU A 16 -0.861 -2.043 3.937 1.00 10.00 C ATOM 257 CD1 LEU A 16 -1.792 -1.372 4.949 1.00 10.00 C ATOM 258 CD2 LEU A 16 -0.795 -3.545 4.225 1.00 10.00 C ATOM 0 H LEU A 16 -1.946 -0.983 0.343 1.00 10.00 H new ATOM 0 HA LEU A 16 0.316 -0.532 2.070 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.197 -1.081 2.533 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.816 -2.742 2.126 1.00 10.00 H new ATOM 0 HG LEU A 16 0.136 -1.611 4.021 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.411 -1.535 5.957 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -1.839 -0.302 4.747 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.791 -1.801 4.865 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -0.417 -3.706 5.235 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -1.792 -3.976 4.138 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -0.129 -4.024 3.507 1.00 10.00 H new ATOM 270 N SER A 17 0.377 -3.367 0.414 1.00 10.00 N ATOM 271 CA SER A 17 1.305 -4.490 0.076 1.00 10.00 C ATOM 272 C SER A 17 2.596 -3.920 -0.519 1.00 10.00 C ATOM 273 O SER A 17 3.688 -4.291 -0.124 1.00 10.00 O ATOM 274 CB SER A 17 0.565 -5.345 -0.955 1.00 10.00 C ATOM 275 OG SER A 17 0.282 -6.619 -0.387 1.00 10.00 O ATOM 0 H SER A 17 -0.506 -3.365 -0.097 1.00 10.00 H new ATOM 0 HA SER A 17 1.578 -5.080 0.951 1.00 10.00 H new ATOM 0 HB2 SER A 17 -0.360 -4.854 -1.256 1.00 10.00 H new ATOM 0 HB3 SER A 17 1.172 -5.460 -1.853 1.00 10.00 H new ATOM 0 HG SER A 17 -0.194 -7.171 -1.042 1.00 10.00 H new ATOM 281 N ASP A 18 2.476 -3.000 -1.447 1.00 10.00 N ATOM 282 CA ASP A 18 3.694 -2.381 -2.049 1.00 10.00 C ATOM 283 C ASP A 18 4.373 -1.480 -1.014 1.00 10.00 C ATOM 284 O ASP A 18 5.578 -1.364 -0.991 1.00 10.00 O ATOM 285 CB ASP A 18 3.202 -1.556 -3.242 1.00 10.00 C ATOM 286 CG ASP A 18 4.383 -0.805 -3.870 1.00 10.00 C ATOM 287 OD1 ASP A 18 5.314 -1.461 -4.309 1.00 10.00 O ATOM 288 OD2 ASP A 18 4.338 0.413 -3.897 1.00 10.00 O ATOM 0 H ASP A 18 1.588 -2.653 -1.811 1.00 10.00 H new ATOM 0 HA ASP A 18 4.422 -3.129 -2.364 1.00 10.00 H new ATOM 0 HB2 ASP A 18 2.738 -2.208 -3.982 1.00 10.00 H new ATOM 0 HB3 ASP A 18 2.439 -0.848 -2.918 1.00 10.00 H new ATOM 293 N PHE A 19 3.605 -0.855 -0.148 1.00 10.00 N ATOM 294 CA PHE A 19 4.206 0.029 0.903 1.00 10.00 C ATOM 295 C PHE A 19 5.333 -0.716 1.625 1.00 10.00 C ATOM 296 O PHE A 19 6.370 -0.158 1.913 1.00 10.00 O ATOM 297 CB PHE A 19 3.064 0.332 1.878 1.00 10.00 C ATOM 298 CG PHE A 19 3.181 1.756 2.366 1.00 10.00 C ATOM 299 CD1 PHE A 19 3.996 2.053 3.466 1.00 10.00 C ATOM 300 CD2 PHE A 19 2.478 2.779 1.721 1.00 10.00 C ATOM 301 CE1 PHE A 19 4.106 3.371 3.920 1.00 10.00 C ATOM 302 CE2 PHE A 19 2.589 4.100 2.174 1.00 10.00 C ATOM 303 CZ PHE A 19 3.403 4.394 3.274 1.00 10.00 C ATOM 0 H PHE A 19 2.587 -0.920 -0.125 1.00 10.00 H new ATOM 0 HA PHE A 19 4.632 0.940 0.481 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.103 0.183 1.386 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.100 -0.357 2.722 1.00 10.00 H new ATOM 0 HD1 PHE A 19 4.540 1.264 3.964 1.00 10.00 H new ATOM 0 HD2 PHE A 19 1.849 2.550 0.873 1.00 10.00 H new ATOM 0 HE1 PHE A 19 4.733 3.599 4.769 1.00 10.00 H new ATOM 0 HE2 PHE A 19 2.047 4.890 1.675 1.00 10.00 H new ATOM 0 HZ PHE A 19 3.489 5.412 3.625 1.00 10.00 H new ATOM 313 N LYS A 20 5.132 -1.978 1.904 1.00 10.00 N ATOM 314 CA LYS A 20 6.189 -2.780 2.592 1.00 10.00 C ATOM 315 C LYS A 20 7.398 -2.973 1.660 1.00 10.00 C ATOM 316 O LYS A 20 8.534 -2.816 2.065 1.00 10.00 O ATOM 317 CB LYS A 20 5.526 -4.127 2.896 1.00 10.00 C ATOM 318 CG LYS A 20 6.410 -4.934 3.850 1.00 10.00 C ATOM 319 CD LYS A 20 5.912 -6.381 3.909 1.00 10.00 C ATOM 320 CE LYS A 20 5.159 -6.616 5.222 1.00 10.00 C ATOM 321 NZ LYS A 20 3.810 -6.010 5.020 1.00 10.00 N ATOM 0 H LYS A 20 4.278 -2.490 1.684 1.00 10.00 H new ATOM 0 HA LYS A 20 6.558 -2.293 3.495 1.00 10.00 H new ATOM 0 HB2 LYS A 20 4.544 -3.968 3.342 1.00 10.00 H new ATOM 0 HB3 LYS A 20 5.370 -4.683 1.972 1.00 10.00 H new ATOM 0 HG2 LYS A 20 7.446 -4.908 3.512 1.00 10.00 H new ATOM 0 HG3 LYS A 20 6.389 -4.490 4.845 1.00 10.00 H new ATOM 0 HD2 LYS A 20 5.257 -6.585 3.062 1.00 10.00 H new ATOM 0 HD3 LYS A 20 6.754 -7.069 3.834 1.00 10.00 H new ATOM 0 HE2 LYS A 20 5.082 -7.680 5.446 1.00 10.00 H new ATOM 0 HE3 LYS A 20 5.677 -6.151 6.061 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 3.146 -6.399 5.720 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 3.872 -4.978 5.137 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 3.471 -6.230 4.062 1.00 10.00 H new ATOM 335 N THR A 21 7.154 -3.311 0.416 1.00 10.00 N ATOM 336 CA THR A 21 8.280 -3.519 -0.550 1.00 10.00 C ATOM 337 C THR A 21 8.913 -2.176 -0.935 1.00 10.00 C ATOM 338 O THR A 21 10.121 -2.045 -0.975 1.00 10.00 O ATOM 339 CB THR A 21 7.645 -4.188 -1.778 1.00 10.00 C ATOM 340 OG1 THR A 21 6.732 -5.196 -1.356 1.00 10.00 O ATOM 341 CG2 THR A 21 8.736 -4.823 -2.642 1.00 10.00 C ATOM 0 H THR A 21 6.222 -3.452 0.027 1.00 10.00 H new ATOM 0 HA THR A 21 9.074 -4.130 -0.122 1.00 10.00 H new ATOM 0 HB THR A 21 7.113 -3.435 -2.360 1.00 10.00 H new ATOM 0 HG1 THR A 21 6.327 -5.620 -2.141 1.00 10.00 H new ATOM 0 HG21 THR A 21 8.281 -5.297 -3.512 1.00 10.00 H new ATOM 0 HG22 THR A 21 9.434 -4.053 -2.971 1.00 10.00 H new ATOM 0 HG23 THR A 21 9.271 -5.573 -2.059 1.00 10.00 H new ATOM 349 N TRP A 22 8.111 -1.178 -1.211 1.00 10.00 N ATOM 350 CA TRP A 22 8.672 0.157 -1.583 1.00 10.00 C ATOM 351 C TRP A 22 9.515 0.708 -0.430 1.00 10.00 C ATOM 352 O TRP A 22 10.573 1.269 -0.637 1.00 10.00 O ATOM 353 CB TRP A 22 7.457 1.056 -1.828 1.00 10.00 C ATOM 354 CG TRP A 22 7.756 2.003 -2.947 1.00 10.00 C ATOM 355 CD1 TRP A 22 7.313 1.871 -4.219 1.00 10.00 C ATOM 356 CD2 TRP A 22 8.556 3.222 -2.917 1.00 10.00 C ATOM 357 NE1 TRP A 22 7.791 2.930 -4.971 1.00 10.00 N ATOM 358 CE2 TRP A 22 8.561 3.790 -4.213 1.00 10.00 C ATOM 359 CE3 TRP A 22 9.271 3.881 -1.900 1.00 10.00 C ATOM 360 CZ2 TRP A 22 9.251 4.970 -4.490 1.00 10.00 C ATOM 361 CZ3 TRP A 22 9.965 5.070 -2.176 1.00 10.00 C ATOM 362 CH2 TRP A 22 9.956 5.612 -3.469 1.00 10.00 C ATOM 0 H TRP A 22 7.092 -1.230 -1.195 1.00 10.00 H new ATOM 0 HA TRP A 22 9.316 0.101 -2.460 1.00 10.00 H new ATOM 0 HB2 TRP A 22 6.586 0.449 -2.074 1.00 10.00 H new ATOM 0 HB3 TRP A 22 7.213 1.611 -0.922 1.00 10.00 H new ATOM 0 HD1 TRP A 22 6.689 1.070 -4.587 1.00 10.00 H new ATOM 0 HE1 TRP A 22 7.598 3.060 -5.964 1.00 10.00 H new ATOM 0 HE3 TRP A 22 9.286 3.470 -0.901 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 9.240 5.385 -5.487 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 10.509 5.570 -1.388 1.00 10.00 H new ATOM 0 HH2 TRP A 22 10.494 6.525 -3.676 1.00 10.00 H new ATOM 373 N LEU A 23 9.046 0.550 0.783 1.00 10.00 N ATOM 374 CA LEU A 23 9.810 1.064 1.965 1.00 10.00 C ATOM 375 C LEU A 23 11.125 0.293 2.150 1.00 10.00 C ATOM 376 O LEU A 23 12.132 0.870 2.513 1.00 10.00 O ATOM 377 CB LEU A 23 8.892 0.845 3.175 1.00 10.00 C ATOM 378 CG LEU A 23 8.140 2.141 3.517 1.00 10.00 C ATOM 379 CD1 LEU A 23 9.104 3.141 4.159 1.00 10.00 C ATOM 380 CD2 LEU A 23 7.541 2.756 2.246 1.00 10.00 C ATOM 0 H LEU A 23 8.166 0.087 1.007 1.00 10.00 H new ATOM 0 HA LEU A 23 10.077 2.113 1.837 1.00 10.00 H new ATOM 0 HB2 LEU A 23 8.179 0.049 2.960 1.00 10.00 H new ATOM 0 HB3 LEU A 23 9.481 0.521 4.033 1.00 10.00 H new ATOM 0 HG LEU A 23 7.335 1.908 4.214 1.00 10.00 H new ATOM 0 HD11 LEU A 23 8.568 4.059 4.401 1.00 10.00 H new ATOM 0 HD12 LEU A 23 9.519 2.712 5.071 1.00 10.00 H new ATOM 0 HD13 LEU A 23 9.913 3.365 3.463 1.00 10.00 H new ATOM 0 HD21 LEU A 23 7.011 3.674 2.501 1.00 10.00 H new ATOM 0 HD22 LEU A 23 8.340 2.983 1.540 1.00 10.00 H new ATOM 0 HD23 LEU A 23 6.846 2.049 1.793 1.00 10.00 H new ATOM 392 N LYS A 24 11.134 -1.000 1.907 1.00 10.00 N ATOM 393 CA LYS A 24 12.404 -1.778 2.081 1.00 10.00 C ATOM 394 C LYS A 24 13.414 -1.417 0.978 1.00 10.00 C ATOM 395 O LYS A 24 14.611 -1.544 1.161 1.00 10.00 O ATOM 396 CB LYS A 24 11.993 -3.262 2.023 1.00 10.00 C ATOM 397 CG LYS A 24 12.034 -3.791 0.582 1.00 10.00 C ATOM 398 CD LYS A 24 13.399 -4.431 0.307 1.00 10.00 C ATOM 399 CE LYS A 24 13.276 -5.957 0.369 1.00 10.00 C ATOM 400 NZ LYS A 24 14.637 -6.473 0.043 1.00 10.00 N ATOM 0 H LYS A 24 10.327 -1.543 1.600 1.00 10.00 H new ATOM 0 HA LYS A 24 12.900 -1.551 3.025 1.00 10.00 H new ATOM 0 HB2 LYS A 24 12.661 -3.852 2.650 1.00 10.00 H new ATOM 0 HB3 LYS A 24 10.988 -3.380 2.429 1.00 10.00 H new ATOM 0 HG2 LYS A 24 11.241 -4.523 0.430 1.00 10.00 H new ATOM 0 HG3 LYS A 24 11.855 -2.977 -0.120 1.00 10.00 H new ATOM 0 HD2 LYS A 24 13.764 -4.126 -0.674 1.00 10.00 H new ATOM 0 HD3 LYS A 24 14.128 -4.085 1.040 1.00 10.00 H new ATOM 0 HE2 LYS A 24 12.956 -6.286 1.358 1.00 10.00 H new ATOM 0 HE3 LYS A 24 12.536 -6.322 -0.343 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 14.629 -7.513 0.067 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 14.912 -6.150 -0.907 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 15.320 -6.116 0.741 1.00 10.00 H new ATOM 414 N ALA A 25 12.944 -0.962 -0.161 1.00 10.00 N ATOM 415 CA ALA A 25 13.877 -0.586 -1.269 1.00 10.00 C ATOM 416 C ALA A 25 14.455 0.817 -1.027 1.00 10.00 C ATOM 417 O ALA A 25 15.581 1.100 -1.387 1.00 10.00 O ATOM 418 CB ALA A 25 13.018 -0.601 -2.536 1.00 10.00 C ATOM 0 H ALA A 25 11.954 -0.835 -0.370 1.00 10.00 H new ATOM 0 HA ALA A 25 14.724 -1.269 -1.343 1.00 10.00 H new ATOM 0 HB1 ALA A 25 13.633 -0.334 -3.396 1.00 10.00 H new ATOM 0 HB2 ALA A 25 12.603 -1.598 -2.682 1.00 10.00 H new ATOM 0 HB3 ALA A 25 12.206 0.119 -2.434 1.00 10.00 H new ATOM 424 N LYS A 26 13.690 1.692 -0.420 1.00 10.00 N ATOM 425 CA LYS A 26 14.191 3.078 -0.151 1.00 10.00 C ATOM 426 C LYS A 26 15.007 3.133 1.155 1.00 10.00 C ATOM 427 O LYS A 26 15.621 4.139 1.460 1.00 10.00 O ATOM 428 CB LYS A 26 12.927 3.946 -0.047 1.00 10.00 C ATOM 429 CG LYS A 26 12.156 3.619 1.238 1.00 10.00 C ATOM 430 CD LYS A 26 11.382 4.857 1.702 1.00 10.00 C ATOM 431 CE LYS A 26 12.225 5.645 2.713 1.00 10.00 C ATOM 432 NZ LYS A 26 11.465 5.581 3.996 1.00 10.00 N ATOM 0 H LYS A 26 12.740 1.507 -0.099 1.00 10.00 H new ATOM 0 HA LYS A 26 14.861 3.425 -0.937 1.00 10.00 H new ATOM 0 HB2 LYS A 26 13.201 5.001 -0.055 1.00 10.00 H new ATOM 0 HB3 LYS A 26 12.289 3.776 -0.914 1.00 10.00 H new ATOM 0 HG2 LYS A 26 11.468 2.793 1.061 1.00 10.00 H new ATOM 0 HG3 LYS A 26 12.847 3.297 2.017 1.00 10.00 H new ATOM 0 HD2 LYS A 26 11.139 5.488 0.847 1.00 10.00 H new ATOM 0 HD3 LYS A 26 10.437 4.558 2.156 1.00 10.00 H new ATOM 0 HE2 LYS A 26 13.218 5.208 2.822 1.00 10.00 H new ATOM 0 HE3 LYS A 26 12.364 6.677 2.390 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 11.920 6.196 4.700 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 10.488 5.901 3.837 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 11.456 4.602 4.346 1.00 10.00 H new ATOM 446 N LEU A 27 15.018 2.069 1.927 1.00 10.00 N ATOM 447 CA LEU A 27 15.794 2.075 3.208 1.00 10.00 C ATOM 448 C LEU A 27 17.258 1.686 2.956 1.00 10.00 C ATOM 449 O LEU A 27 18.168 2.354 3.410 1.00 10.00 O ATOM 450 CB LEU A 27 15.108 1.032 4.099 1.00 10.00 C ATOM 451 CG LEU A 27 14.702 1.677 5.427 1.00 10.00 C ATOM 452 CD1 LEU A 27 13.304 2.288 5.293 1.00 10.00 C ATOM 453 CD2 LEU A 27 14.688 0.613 6.529 1.00 10.00 C ATOM 0 H LEU A 27 14.524 1.200 1.725 1.00 10.00 H new ATOM 0 HA LEU A 27 15.807 3.062 3.670 1.00 10.00 H new ATOM 0 HB2 LEU A 27 14.229 0.630 3.595 1.00 10.00 H new ATOM 0 HB3 LEU A 27 15.782 0.195 4.281 1.00 10.00 H new ATOM 0 HG LEU A 27 15.418 2.458 5.684 1.00 10.00 H new ATOM 0 HD11 LEU A 27 13.015 2.747 6.239 1.00 10.00 H new ATOM 0 HD12 LEU A 27 13.312 3.046 4.509 1.00 10.00 H new ATOM 0 HD13 LEU A 27 12.589 1.507 5.036 1.00 10.00 H new ATOM 0 HD21 LEU A 27 14.399 1.072 7.474 1.00 10.00 H new ATOM 0 HD22 LEU A 27 13.973 -0.168 6.271 1.00 10.00 H new ATOM 0 HD23 LEU A 27 15.682 0.177 6.626 1.00 10.00 H new ATOM 465 N MET A 28 17.487 0.609 2.242 1.00 10.00 N ATOM 466 CA MET A 28 18.893 0.172 1.967 1.00 10.00 C ATOM 467 C MET A 28 19.424 0.847 0.693 1.00 10.00 C ATOM 468 O MET A 28 18.912 0.618 -0.386 1.00 10.00 O ATOM 469 CB MET A 28 18.813 -1.347 1.775 1.00 10.00 C ATOM 470 CG MET A 28 18.481 -2.021 3.110 1.00 10.00 C ATOM 471 SD MET A 28 17.917 -3.715 2.807 1.00 10.00 S ATOM 472 CE MET A 28 16.718 -3.805 4.160 1.00 10.00 C ATOM 0 H MET A 28 16.763 0.015 1.839 1.00 10.00 H new ATOM 0 HA MET A 28 19.570 0.445 2.776 1.00 10.00 H new ATOM 0 HB2 MET A 28 18.051 -1.590 1.035 1.00 10.00 H new ATOM 0 HB3 MET A 28 19.761 -1.725 1.392 1.00 10.00 H new ATOM 0 HG2 MET A 28 19.360 -2.029 3.754 1.00 10.00 H new ATOM 0 HG3 MET A 28 17.708 -1.457 3.632 1.00 10.00 H new ATOM 0 HE1 MET A 28 16.242 -4.786 4.160 1.00 10.00 H new ATOM 0 HE2 MET A 28 17.229 -3.650 5.110 1.00 10.00 H new ATOM 0 HE3 MET A 28 15.960 -3.034 4.026 1.00 10.00 H new ATOM 482 N PRO A 29 20.442 1.663 0.860 1.00 10.00 N ATOM 483 CA PRO A 29 21.047 2.375 -0.295 1.00 10.00 C ATOM 484 C PRO A 29 21.916 1.421 -1.129 1.00 10.00 C ATOM 485 O PRO A 29 21.899 0.217 -0.937 1.00 10.00 O ATOM 486 CB PRO A 29 21.906 3.455 0.358 1.00 10.00 C ATOM 487 CG PRO A 29 22.227 2.931 1.723 1.00 10.00 C ATOM 488 CD PRO A 29 21.114 1.998 2.125 1.00 10.00 C ATOM 0 HA PRO A 29 20.302 2.781 -0.979 1.00 10.00 H new ATOM 0 HB2 PRO A 29 22.814 3.637 -0.217 1.00 10.00 H new ATOM 0 HB3 PRO A 29 21.370 4.402 0.416 1.00 10.00 H new ATOM 0 HG2 PRO A 29 23.183 2.407 1.717 1.00 10.00 H new ATOM 0 HG3 PRO A 29 22.317 3.750 2.436 1.00 10.00 H new ATOM 0 HD2 PRO A 29 21.502 1.106 2.617 1.00 10.00 H new ATOM 0 HD3 PRO A 29 20.428 2.476 2.825 1.00 10.00 H new ATOM 496 N GLN A 30 22.680 1.956 -2.049 1.00 10.00 N ATOM 497 CA GLN A 30 23.561 1.094 -2.899 1.00 10.00 C ATOM 498 C GLN A 30 25.009 1.611 -2.857 1.00 10.00 C ATOM 499 O GLN A 30 25.630 1.829 -3.882 1.00 10.00 O ATOM 500 CB GLN A 30 22.976 1.189 -4.317 1.00 10.00 C ATOM 501 CG GLN A 30 23.022 2.638 -4.820 1.00 10.00 C ATOM 502 CD GLN A 30 21.670 3.010 -5.438 1.00 10.00 C ATOM 503 OE1 GLN A 30 21.550 3.113 -6.642 1.00 10.00 O ATOM 504 NE2 GLN A 30 20.643 3.216 -4.661 1.00 10.00 N ATOM 0 H GLN A 30 22.732 2.955 -2.249 1.00 10.00 H new ATOM 0 HA GLN A 30 23.590 0.061 -2.552 1.00 10.00 H new ATOM 0 HB2 GLN A 30 23.538 0.545 -4.993 1.00 10.00 H new ATOM 0 HB3 GLN A 30 21.947 0.830 -4.317 1.00 10.00 H new ATOM 0 HG2 GLN A 30 23.255 3.313 -3.996 1.00 10.00 H new ATOM 0 HG3 GLN A 30 23.815 2.752 -5.559 1.00 10.00 H new ATOM 0 HE21 GLN A 30 20.743 3.130 -3.650 1.00 10.00 H new ATOM 0 HE22 GLN A 30 19.740 3.463 -5.065 1.00 10.00 H new ATOM 513 N LEU A 31 25.545 1.803 -1.672 1.00 10.00 N ATOM 514 CA LEU A 31 26.953 2.305 -1.532 1.00 10.00 C ATOM 515 C LEU A 31 27.114 3.662 -2.248 1.00 10.00 C ATOM 516 O LEU A 31 26.333 4.554 -1.959 1.00 10.00 O ATOM 517 CB LEU A 31 27.836 1.213 -2.166 1.00 10.00 C ATOM 518 CG LEU A 31 29.027 0.894 -1.251 1.00 10.00 C ATOM 519 CD1 LEU A 31 29.815 2.173 -0.952 1.00 10.00 C ATOM 520 CD2 LEU A 31 28.521 0.286 0.061 1.00 10.00 C ATOM 521 OXT LEU A 31 28.013 3.791 -3.067 1.00 10.00 O ATOM 0 H LEU A 31 25.063 1.632 -0.789 1.00 10.00 H new ATOM 0 HA LEU A 31 27.232 2.480 -0.493 1.00 10.00 H new ATOM 0 HB2 LEU A 31 27.247 0.312 -2.335 1.00 10.00 H new ATOM 0 HB3 LEU A 31 28.195 1.546 -3.140 1.00 10.00 H new ATOM 0 HG LEU A 31 29.680 0.181 -1.754 1.00 10.00 H new ATOM 0 HD11 LEU A 31 30.658 1.938 -0.302 1.00 10.00 H new ATOM 0 HD12 LEU A 31 30.184 2.600 -1.885 1.00 10.00 H new ATOM 0 HD13 LEU A 31 29.165 2.893 -0.456 1.00 10.00 H new ATOM 0 HD21 LEU A 31 29.369 0.061 0.708 1.00 10.00 H new ATOM 0 HD22 LEU A 31 27.862 0.996 0.560 1.00 10.00 H new ATOM 0 HD23 LEU A 31 27.972 -0.632 -0.151 1.00 10.00 H new TER 533 LEU A 31