USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 738 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 Set 1.1: A 73 CYS SG : rot -89:sc= 0.48 USER MOD Set 1.2: A 96 GLN : amide:sc= -0.225 K(o=0.25,f=-0.6!) USER MOD Set 2.1: A 28 GLN : amide:sc= 0.831 K(o=1.6,f=0.66) USER MOD Set 2.2: A 51 THR OG1 : rot 46:sc= 0.789 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.0591 X(o=-0.059,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -113:sc= 0.782 (180deg=0.0508) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -2.17 K(o=-2.2,f=-0.73) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 35 TYR OH : rot 100:sc= -0.0846 USER MOD Single : A 38 MET CE :methyl -147:sc= -1.85 (180deg=-4.94!) USER MOD Single : A 40 SER OG : rot -80:sc= 0.771 USER MOD Single : A 42 CYS SG : rot -38:sc= 0.534 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0709 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 169:sc= 0.79 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 30:sc= 1.25 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.0895 X(o=-0.09,f=-0.16) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 179:sc= -0.352 (180deg=-0.355) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.093 14.445 -0.364 1.00 0.00 N ATOM 2 CA GLY A 1 -17.686 13.144 0.175 1.00 0.00 C ATOM 3 C GLY A 1 -18.890 12.441 0.760 1.00 0.00 C ATOM 4 O GLY A 1 -19.101 12.515 1.970 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.265 14.929 -0.766 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.807 14.305 -1.107 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.496 15.026 0.399 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.243 12.535 -0.613 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.922 13.279 0.941 1.00 0.00 H new ATOM 8 N SER A 2 -19.696 11.818 -0.098 1.00 0.00 N ATOM 9 CA SER A 2 -20.787 10.936 0.277 1.00 0.00 C ATOM 10 C SER A 2 -21.012 9.961 -0.885 1.00 0.00 C ATOM 11 O SER A 2 -21.954 10.118 -1.665 1.00 0.00 O ATOM 12 CB SER A 2 -22.022 11.758 0.673 1.00 0.00 C ATOM 13 OG SER A 2 -22.230 12.873 -0.184 1.00 0.00 O ATOM 0 H SER A 2 -19.599 11.921 -1.108 1.00 0.00 H new ATOM 0 HA SER A 2 -20.554 10.344 1.162 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.904 11.117 0.651 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.908 12.108 1.699 1.00 0.00 H new ATOM 0 HG SER A 2 -23.027 13.364 0.106 1.00 0.00 H new ATOM 19 N HIS A 3 -20.085 9.018 -1.059 1.00 0.00 N ATOM 20 CA HIS A 3 -20.124 7.961 -2.064 1.00 0.00 C ATOM 21 C HIS A 3 -19.338 6.756 -1.553 1.00 0.00 C ATOM 22 O HIS A 3 -18.629 6.858 -0.551 1.00 0.00 O ATOM 23 CB HIS A 3 -19.564 8.485 -3.396 1.00 0.00 C ATOM 24 CG HIS A 3 -18.105 8.873 -3.338 1.00 0.00 C ATOM 25 ND1 HIS A 3 -17.601 10.122 -3.050 1.00 0.00 N ATOM 26 CD2 HIS A 3 -17.043 8.042 -3.564 1.00 0.00 C ATOM 27 CE1 HIS A 3 -16.265 10.054 -3.110 1.00 0.00 C ATOM 28 NE2 HIS A 3 -15.876 8.795 -3.384 1.00 0.00 N ATOM 0 H HIS A 3 -19.250 8.970 -0.475 1.00 0.00 H new ATOM 0 HA HIS A 3 -21.153 7.647 -2.242 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -19.696 7.719 -4.160 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -20.148 9.351 -3.708 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -17.095 6.997 -3.832 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -15.596 10.889 -2.960 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -14.916 8.455 -3.448 1.00 0.00 H new ATOM 36 N GLU A 4 -19.422 5.625 -2.249 1.00 0.00 N ATOM 37 CA GLU A 4 -18.699 4.408 -1.908 1.00 0.00 C ATOM 38 C GLU A 4 -17.309 4.516 -2.537 1.00 0.00 C ATOM 39 O GLU A 4 -17.194 4.536 -3.764 1.00 0.00 O ATOM 40 CB GLU A 4 -19.455 3.173 -2.429 1.00 0.00 C ATOM 41 CG GLU A 4 -20.831 3.019 -1.742 1.00 0.00 C ATOM 42 CD GLU A 4 -22.033 2.786 -2.668 1.00 0.00 C ATOM 43 OE1 GLU A 4 -21.905 2.848 -3.917 1.00 0.00 O ATOM 44 OE2 GLU A 4 -23.156 2.641 -2.123 1.00 0.00 O ATOM 0 H GLU A 4 -20.005 5.529 -3.080 1.00 0.00 H new ATOM 0 HA GLU A 4 -18.612 4.294 -0.827 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -19.593 3.258 -3.507 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -18.857 2.279 -2.253 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -20.772 2.186 -1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -21.022 3.917 -1.154 1.00 0.00 H new ATOM 51 N GLY A 5 -16.253 4.683 -1.739 1.00 0.00 N ATOM 52 CA GLY A 5 -14.930 4.974 -2.277 1.00 0.00 C ATOM 53 C GLY A 5 -13.969 5.440 -1.199 1.00 0.00 C ATOM 54 O GLY A 5 -13.330 6.490 -1.332 1.00 0.00 O ATOM 0 H GLY A 5 -16.291 4.621 -0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -14.530 4.082 -2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -15.012 5.742 -3.046 1.00 0.00 H new ATOM 58 N GLU A 6 -13.878 4.670 -0.123 1.00 0.00 N ATOM 59 CA GLU A 6 -12.885 4.836 0.932 1.00 0.00 C ATOM 60 C GLU A 6 -11.454 4.563 0.414 1.00 0.00 C ATOM 61 O GLU A 6 -11.291 3.961 -0.653 1.00 0.00 O ATOM 62 CB GLU A 6 -13.254 3.965 2.151 1.00 0.00 C ATOM 63 CG GLU A 6 -13.758 2.544 1.854 1.00 0.00 C ATOM 64 CD GLU A 6 -15.276 2.513 1.679 1.00 0.00 C ATOM 65 OE1 GLU A 6 -15.997 2.463 2.698 1.00 0.00 O ATOM 66 OE2 GLU A 6 -15.745 2.563 0.510 1.00 0.00 O ATOM 0 H GLU A 6 -14.512 3.889 0.046 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.892 5.876 1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.376 3.888 2.793 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.022 4.486 2.722 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -13.279 2.168 0.950 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.471 1.878 2.667 1.00 0.00 H new ATOM 73 N PRO A 7 -10.402 4.999 1.137 1.00 0.00 N ATOM 74 CA PRO A 7 -9.000 4.751 0.790 1.00 0.00 C ATOM 75 C PRO A 7 -8.608 3.291 1.084 1.00 0.00 C ATOM 76 O PRO A 7 -7.904 3.017 2.054 1.00 0.00 O ATOM 77 CB PRO A 7 -8.191 5.749 1.640 1.00 0.00 C ATOM 78 CG PRO A 7 -9.076 5.925 2.872 1.00 0.00 C ATOM 79 CD PRO A 7 -10.475 5.898 2.281 1.00 0.00 C ATOM 0 HA PRO A 7 -8.808 4.893 -0.273 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.207 5.358 1.899 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -8.031 6.692 1.117 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.926 5.124 3.596 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.872 6.863 3.387 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.202 5.544 3.012 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.790 6.896 1.976 1.00 0.00 H new ATOM 87 N VAL A 8 -9.094 2.338 0.286 1.00 0.00 N ATOM 88 CA VAL A 8 -8.876 0.911 0.530 1.00 0.00 C ATOM 89 C VAL A 8 -8.722 0.163 -0.796 1.00 0.00 C ATOM 90 O VAL A 8 -9.406 0.459 -1.785 1.00 0.00 O ATOM 91 CB VAL A 8 -10.030 0.300 1.367 1.00 0.00 C ATOM 92 CG1 VAL A 8 -9.590 -1.011 2.042 1.00 0.00 C ATOM 93 CG2 VAL A 8 -10.553 1.200 2.501 1.00 0.00 C ATOM 0 H VAL A 8 -9.649 2.534 -0.547 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.955 0.804 1.104 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.825 0.154 0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.418 -1.417 2.622 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.293 -1.731 1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.746 -0.814 2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -11.357 0.689 3.030 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.742 1.417 3.196 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.930 2.132 2.081 1.00 0.00 H new ATOM 103 N VAL A 9 -7.833 -0.831 -0.794 1.00 0.00 N ATOM 104 CA VAL A 9 -7.714 -1.862 -1.814 1.00 0.00 C ATOM 105 C VAL A 9 -8.945 -2.771 -1.833 1.00 0.00 C ATOM 106 O VAL A 9 -9.791 -2.751 -0.938 1.00 0.00 O ATOM 107 CB VAL A 9 -6.380 -2.616 -1.612 1.00 0.00 C ATOM 108 CG1 VAL A 9 -6.365 -3.519 -0.374 1.00 0.00 C ATOM 109 CG2 VAL A 9 -5.925 -3.396 -2.856 1.00 0.00 C ATOM 0 H VAL A 9 -7.148 -0.940 -0.046 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.686 -1.410 -2.806 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.653 -1.822 -1.440 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.398 -4.015 -0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.535 -2.916 0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.151 -4.269 -0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.983 -3.901 -2.644 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.682 -4.135 -3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.788 -2.706 -3.688 1.00 0.00 H new ATOM 119 N GLY A 10 -9.047 -3.539 -2.906 1.00 0.00 N ATOM 120 CA GLY A 10 -10.148 -4.397 -3.254 1.00 0.00 C ATOM 121 C GLY A 10 -9.768 -4.948 -4.612 1.00 0.00 C ATOM 122 O GLY A 10 -8.945 -5.861 -4.677 1.00 0.00 O ATOM 0 H GLY A 10 -8.303 -3.575 -3.602 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.280 -5.194 -2.522 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.087 -3.845 -3.296 1.00 0.00 H new ATOM 126 N MET A 11 -10.252 -4.342 -5.697 1.00 0.00 N ATOM 127 CA MET A 11 -9.954 -4.773 -7.066 1.00 0.00 C ATOM 128 C MET A 11 -9.763 -3.592 -8.022 1.00 0.00 C ATOM 129 O MET A 11 -9.974 -3.722 -9.229 1.00 0.00 O ATOM 130 CB MET A 11 -11.014 -5.779 -7.550 1.00 0.00 C ATOM 131 CG MET A 11 -10.869 -7.093 -6.778 1.00 0.00 C ATOM 132 SD MET A 11 -11.867 -8.485 -7.344 1.00 0.00 S ATOM 133 CE MET A 11 -10.710 -9.794 -6.851 1.00 0.00 C ATOM 0 H MET A 11 -10.868 -3.530 -5.651 1.00 0.00 H new ATOM 0 HA MET A 11 -8.994 -5.288 -7.060 1.00 0.00 H new ATOM 0 HB2 MET A 11 -12.013 -5.368 -7.403 1.00 0.00 H new ATOM 0 HB3 MET A 11 -10.897 -5.959 -8.619 1.00 0.00 H new ATOM 0 HG2 MET A 11 -9.821 -7.391 -6.810 1.00 0.00 H new ATOM 0 HG3 MET A 11 -11.114 -6.902 -5.733 1.00 0.00 H new ATOM 0 HE1 MET A 11 -11.129 -10.766 -7.110 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.762 -9.657 -7.371 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.543 -9.746 -5.775 1.00 0.00 H new ATOM 143 N ASP A 12 -9.337 -2.434 -7.512 1.00 0.00 N ATOM 144 CA ASP A 12 -8.745 -1.389 -8.348 1.00 0.00 C ATOM 145 C ASP A 12 -7.667 -0.646 -7.546 1.00 0.00 C ATOM 146 O ASP A 12 -7.579 -0.815 -6.326 1.00 0.00 O ATOM 147 CB ASP A 12 -9.819 -0.425 -8.866 1.00 0.00 C ATOM 148 CG ASP A 12 -9.529 0.038 -10.292 1.00 0.00 C ATOM 149 OD1 ASP A 12 -8.352 0.263 -10.633 1.00 0.00 O ATOM 150 OD2 ASP A 12 -10.504 0.369 -11.017 1.00 0.00 O ATOM 0 H ASP A 12 -9.392 -2.197 -6.521 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.280 -1.849 -9.220 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.792 -0.915 -8.834 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.877 0.442 -8.208 1.00 0.00 H new ATOM 155 N LYS A 13 -6.796 0.126 -8.211 1.00 0.00 N ATOM 156 CA LYS A 13 -5.542 0.598 -7.636 1.00 0.00 C ATOM 157 C LYS A 13 -5.226 2.106 -7.729 1.00 0.00 C ATOM 158 O LYS A 13 -4.101 2.455 -7.385 1.00 0.00 O ATOM 159 CB LYS A 13 -4.425 -0.280 -8.200 1.00 0.00 C ATOM 160 CG LYS A 13 -4.380 -1.710 -7.643 1.00 0.00 C ATOM 161 CD LYS A 13 -4.253 -1.843 -6.118 1.00 0.00 C ATOM 162 CE LYS A 13 -3.757 -3.232 -5.690 1.00 0.00 C ATOM 163 NZ LYS A 13 -2.279 -3.299 -5.638 1.00 0.00 N ATOM 0 H LYS A 13 -6.949 0.439 -9.170 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.641 0.495 -6.555 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.536 -0.331 -9.283 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.468 0.202 -8.000 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.286 -2.228 -7.957 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.540 -2.230 -8.103 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.565 -1.084 -5.746 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.221 -1.648 -5.657 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.166 -3.477 -4.710 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.130 -3.982 -6.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.934 -3.941 -6.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.883 -2.349 -5.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.980 -3.654 -4.707 1.00 0.00 H new ATOM 177 N SER A 14 -6.144 3.011 -8.097 1.00 0.00 N ATOM 178 CA SER A 14 -5.835 4.455 -8.021 1.00 0.00 C ATOM 179 C SER A 14 -6.190 5.084 -6.657 1.00 0.00 C ATOM 180 O SER A 14 -5.690 6.155 -6.312 1.00 0.00 O ATOM 181 CB SER A 14 -6.407 5.193 -9.249 1.00 0.00 C ATOM 182 OG SER A 14 -7.268 6.267 -8.924 1.00 0.00 O ATOM 0 H SER A 14 -7.078 2.785 -8.440 1.00 0.00 H new ATOM 0 HA SER A 14 -4.753 4.576 -8.070 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.580 5.572 -9.850 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.950 4.480 -9.868 1.00 0.00 H new ATOM 0 HG SER A 14 -7.591 6.688 -9.748 1.00 0.00 H new ATOM 188 N LEU A 15 -7.017 4.407 -5.853 1.00 0.00 N ATOM 189 CA LEU A 15 -7.799 4.909 -4.714 1.00 0.00 C ATOM 190 C LEU A 15 -6.965 5.289 -3.470 1.00 0.00 C ATOM 191 O LEU A 15 -7.490 5.299 -2.357 1.00 0.00 O ATOM 192 CB LEU A 15 -8.872 3.854 -4.337 1.00 0.00 C ATOM 193 CG LEU A 15 -9.946 3.486 -5.384 1.00 0.00 C ATOM 194 CD1 LEU A 15 -10.752 4.680 -5.903 1.00 0.00 C ATOM 195 CD2 LEU A 15 -9.397 2.724 -6.592 1.00 0.00 C ATOM 0 H LEU A 15 -7.171 3.408 -5.993 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.256 5.842 -5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.352 2.937 -4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.387 4.210 -3.445 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.609 2.832 -4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.484 4.335 -6.634 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.268 5.160 -5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -10.079 5.396 -6.374 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.211 2.501 -7.282 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.649 3.334 -7.098 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.940 1.793 -6.258 1.00 0.00 H new ATOM 207 N PHE A 16 -5.676 5.594 -3.610 1.00 0.00 N ATOM 208 CA PHE A 16 -4.705 5.674 -2.514 1.00 0.00 C ATOM 209 C PHE A 16 -4.123 7.073 -2.393 1.00 0.00 C ATOM 210 O PHE A 16 -3.876 7.544 -1.281 1.00 0.00 O ATOM 211 CB PHE A 16 -3.591 4.646 -2.734 1.00 0.00 C ATOM 212 CG PHE A 16 -4.126 3.245 -2.846 1.00 0.00 C ATOM 213 CD1 PHE A 16 -4.727 2.805 -4.038 1.00 0.00 C ATOM 214 CD2 PHE A 16 -4.150 2.445 -1.704 1.00 0.00 C ATOM 215 CE1 PHE A 16 -5.444 1.602 -4.046 1.00 0.00 C ATOM 216 CE2 PHE A 16 -4.798 1.203 -1.744 1.00 0.00 C ATOM 217 CZ PHE A 16 -5.449 0.786 -2.913 1.00 0.00 C ATOM 0 H PHE A 16 -5.262 5.800 -4.519 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.221 5.450 -1.580 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.041 4.897 -3.641 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.883 4.698 -1.907 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.637 3.390 -4.941 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.673 2.780 -0.795 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.993 1.306 -4.928 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.796 0.566 -0.872 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.955 -0.168 -2.937 1.00 0.00 H new ATOM 227 N ALA A 17 -3.959 7.768 -3.516 1.00 0.00 N ATOM 228 CA ALA A 17 -3.538 9.155 -3.547 1.00 0.00 C ATOM 229 C ALA A 17 -4.730 10.072 -3.245 1.00 0.00 C ATOM 230 O ALA A 17 -5.072 10.939 -4.049 1.00 0.00 O ATOM 231 CB ALA A 17 -2.914 9.426 -4.922 1.00 0.00 C ATOM 0 H ALA A 17 -4.119 7.371 -4.442 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.791 9.361 -2.780 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.587 10.464 -4.975 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.058 8.768 -5.069 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.653 9.238 -5.701 1.00 0.00 H new ATOM 237 N GLY A 18 -5.381 9.883 -2.095 1.00 0.00 N ATOM 238 CA GLY A 18 -6.560 10.651 -1.722 1.00 0.00 C ATOM 239 C GLY A 18 -6.823 10.788 -0.222 1.00 0.00 C ATOM 240 O GLY A 18 -7.597 11.681 0.149 1.00 0.00 O ATOM 0 H GLY A 18 -5.101 9.192 -1.399 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.468 11.650 -2.147 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.432 10.187 -2.183 1.00 0.00 H new ATOM 244 N ASN A 19 -6.234 9.946 0.637 1.00 0.00 N ATOM 245 CA ASN A 19 -6.337 10.073 2.094 1.00 0.00 C ATOM 246 C ASN A 19 -4.962 10.258 2.739 1.00 0.00 C ATOM 247 O ASN A 19 -3.966 9.705 2.283 1.00 0.00 O ATOM 248 CB ASN A 19 -7.048 8.839 2.641 1.00 0.00 C ATOM 249 CG ASN A 19 -7.270 8.885 4.143 1.00 0.00 C ATOM 250 OD1 ASN A 19 -8.046 9.692 4.646 1.00 0.00 O ATOM 251 ND2 ASN A 19 -6.643 7.996 4.886 1.00 0.00 N ATOM 0 H ASN A 19 -5.669 9.152 0.337 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.915 10.964 2.340 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.011 8.733 2.142 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.463 7.953 2.395 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.800 7.972 5.894 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.001 7.332 4.454 1.00 0.00 H new ATOM 258 N THR A 20 -4.928 11.007 3.837 1.00 0.00 N ATOM 259 CA THR A 20 -3.761 11.732 4.347 1.00 0.00 C ATOM 260 C THR A 20 -3.478 11.384 5.823 1.00 0.00 C ATOM 261 O THR A 20 -2.795 12.110 6.551 1.00 0.00 O ATOM 262 CB THR A 20 -4.077 13.230 4.145 1.00 0.00 C ATOM 263 OG1 THR A 20 -5.420 13.485 4.545 1.00 0.00 O ATOM 264 CG2 THR A 20 -3.953 13.620 2.670 1.00 0.00 C ATOM 0 H THR A 20 -5.751 11.133 4.426 1.00 0.00 H new ATOM 0 HA THR A 20 -2.851 11.454 3.815 1.00 0.00 H new ATOM 0 HB THR A 20 -3.369 13.808 4.739 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.624 14.435 4.420 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.180 14.680 2.553 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.937 13.427 2.327 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.654 13.031 2.078 1.00 0.00 H new ATOM 272 N VAL A 21 -4.066 10.281 6.296 1.00 0.00 N ATOM 273 CA VAL A 21 -4.183 9.902 7.707 1.00 0.00 C ATOM 274 C VAL A 21 -4.250 8.363 7.826 1.00 0.00 C ATOM 275 O VAL A 21 -4.883 7.809 8.727 1.00 0.00 O ATOM 276 CB VAL A 21 -5.360 10.697 8.321 1.00 0.00 C ATOM 277 CG1 VAL A 21 -6.719 10.351 7.698 1.00 0.00 C ATOM 278 CG2 VAL A 21 -5.416 10.615 9.855 1.00 0.00 C ATOM 0 H VAL A 21 -4.494 9.595 5.675 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.308 10.172 8.298 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.149 11.735 8.065 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.499 10.944 8.175 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.697 10.571 6.631 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.928 9.291 7.845 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.264 11.194 10.220 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.529 9.575 10.160 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.494 11.018 10.275 1.00 0.00 H new ATOM 288 N ILE A 22 -3.618 7.663 6.878 1.00 0.00 N ATOM 289 CA ILE A 22 -3.610 6.216 6.725 1.00 0.00 C ATOM 290 C ILE A 22 -2.184 5.750 6.979 1.00 0.00 C ATOM 291 O ILE A 22 -1.334 5.867 6.100 1.00 0.00 O ATOM 292 CB ILE A 22 -4.179 5.805 5.342 1.00 0.00 C ATOM 293 CG1 ILE A 22 -3.895 4.322 5.046 1.00 0.00 C ATOM 294 CG2 ILE A 22 -3.701 6.702 4.171 1.00 0.00 C ATOM 295 CD1 ILE A 22 -4.717 3.755 3.886 1.00 0.00 C ATOM 0 H ILE A 22 -3.066 8.126 6.156 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.266 5.725 7.444 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.256 5.956 5.412 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.835 4.203 4.820 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.098 3.737 5.943 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.143 6.350 3.239 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.009 7.732 4.352 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.614 6.656 4.098 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.462 2.706 3.738 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.779 3.841 4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.497 4.314 2.977 1.00 0.00 H new ATOM 307 N ARG A 23 -1.903 5.275 8.193 1.00 0.00 N ATOM 308 CA ARG A 23 -0.559 4.816 8.540 1.00 0.00 C ATOM 309 C ARG A 23 -0.384 3.343 8.220 1.00 0.00 C ATOM 310 O ARG A 23 0.744 2.883 8.317 1.00 0.00 O ATOM 311 CB ARG A 23 -0.199 5.096 10.013 1.00 0.00 C ATOM 312 CG ARG A 23 -0.312 6.581 10.397 1.00 0.00 C ATOM 313 CD ARG A 23 -0.549 6.760 11.897 1.00 0.00 C ATOM 314 NE ARG A 23 -1.095 8.096 12.189 1.00 0.00 N ATOM 315 CZ ARG A 23 -2.373 8.471 12.056 1.00 0.00 C ATOM 316 NH1 ARG A 23 -3.285 7.639 11.564 1.00 0.00 N ATOM 317 NH2 ARG A 23 -2.758 9.691 12.414 1.00 0.00 N ATOM 0 H ARG A 23 -2.584 5.199 8.948 1.00 0.00 H new ATOM 0 HA ARG A 23 0.133 5.392 7.925 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.855 4.511 10.657 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.819 4.756 10.202 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.601 7.102 10.108 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.130 7.039 9.842 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.239 5.995 12.254 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.388 6.620 12.436 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.438 8.801 12.524 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.016 6.697 11.280 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.254 7.942 11.470 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.078 10.350 12.793 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.734 9.969 12.309 1.00 0.00 H new ATOM 331 N GLU A 24 -1.433 2.593 7.872 1.00 0.00 N ATOM 332 CA GLU A 24 -1.340 1.156 7.632 1.00 0.00 C ATOM 333 C GLU A 24 -2.165 0.802 6.403 1.00 0.00 C ATOM 334 O GLU A 24 -3.299 1.267 6.264 1.00 0.00 O ATOM 335 CB GLU A 24 -1.830 0.338 8.849 1.00 0.00 C ATOM 336 CG GLU A 24 -0.857 0.345 10.037 1.00 0.00 C ATOM 337 CD GLU A 24 -1.349 -0.519 11.208 1.00 0.00 C ATOM 338 OE1 GLU A 24 -1.016 -1.736 11.250 1.00 0.00 O ATOM 339 OE2 GLU A 24 -2.003 0.004 12.130 1.00 0.00 O ATOM 0 H GLU A 24 -2.373 2.970 7.749 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.292 0.903 7.468 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.791 0.734 9.177 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.999 -0.693 8.537 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.117 -0.017 9.707 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.716 1.370 10.380 1.00 0.00 H new ATOM 346 N ILE A 25 -1.606 -0.036 5.524 1.00 0.00 N ATOM 347 CA ILE A 25 -2.235 -0.483 4.286 1.00 0.00 C ATOM 348 C ILE A 25 -1.929 -1.979 4.127 1.00 0.00 C ATOM 349 O ILE A 25 -0.802 -2.344 3.792 1.00 0.00 O ATOM 350 CB ILE A 25 -1.719 0.343 3.078 1.00 0.00 C ATOM 351 CG1 ILE A 25 -1.577 1.852 3.329 1.00 0.00 C ATOM 352 CG2 ILE A 25 -2.567 0.053 1.834 1.00 0.00 C ATOM 353 CD1 ILE A 25 -1.514 2.774 2.107 1.00 0.00 C ATOM 0 H ILE A 25 -0.676 -0.431 5.662 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.314 -0.331 4.323 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.696 0.007 2.910 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.417 2.170 3.946 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.672 2.011 3.916 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.194 0.639 0.994 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.506 -1.008 1.591 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.605 0.321 2.031 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.414 3.808 2.436 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.656 2.504 1.492 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.428 2.666 1.522 1.00 0.00 H new ATOM 365 N THR A 26 -2.880 -2.860 4.413 1.00 0.00 N ATOM 366 CA THR A 26 -2.674 -4.308 4.400 1.00 0.00 C ATOM 367 C THR A 26 -3.002 -4.870 2.999 1.00 0.00 C ATOM 368 O THR A 26 -4.169 -5.098 2.679 1.00 0.00 O ATOM 369 CB THR A 26 -3.506 -4.926 5.537 1.00 0.00 C ATOM 370 OG1 THR A 26 -3.169 -4.295 6.759 1.00 0.00 O ATOM 371 CG2 THR A 26 -3.245 -6.428 5.697 1.00 0.00 C ATOM 0 H THR A 26 -3.830 -2.588 4.664 1.00 0.00 H new ATOM 0 HA THR A 26 -1.632 -4.570 4.585 1.00 0.00 H new ATOM 0 HB THR A 26 -4.556 -4.779 5.284 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.699 -4.685 7.486 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.855 -6.819 6.512 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.503 -6.943 4.771 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.191 -6.592 5.922 1.00 0.00 H new ATOM 379 N VAL A 27 -2.016 -5.034 2.110 1.00 0.00 N ATOM 380 CA VAL A 27 -2.232 -5.408 0.706 1.00 0.00 C ATOM 381 C VAL A 27 -2.038 -6.906 0.525 1.00 0.00 C ATOM 382 O VAL A 27 -0.997 -7.473 0.877 1.00 0.00 O ATOM 383 CB VAL A 27 -1.304 -4.657 -0.267 1.00 0.00 C ATOM 384 CG1 VAL A 27 -1.942 -4.590 -1.661 1.00 0.00 C ATOM 385 CG2 VAL A 27 -1.008 -3.237 0.203 1.00 0.00 C ATOM 0 H VAL A 27 -1.032 -4.909 2.348 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.257 -5.125 0.466 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.366 -5.211 -0.303 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.277 -4.057 -2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.108 -5.601 -2.034 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.895 -4.065 -1.600 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.350 -2.746 -0.514 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.940 -2.678 0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.522 -3.270 1.178 1.00 0.00 H new ATOM 395 N GLN A 28 -3.028 -7.552 -0.069 1.00 0.00 N ATOM 396 CA GLN A 28 -2.947 -8.963 -0.391 1.00 0.00 C ATOM 397 C GLN A 28 -2.124 -9.154 -1.677 1.00 0.00 C ATOM 398 O GLN A 28 -1.860 -8.183 -2.394 1.00 0.00 O ATOM 399 CB GLN A 28 -4.377 -9.544 -0.405 1.00 0.00 C ATOM 400 CG GLN A 28 -5.164 -9.116 0.859 1.00 0.00 C ATOM 401 CD GLN A 28 -6.098 -10.187 1.404 1.00 0.00 C ATOM 402 OE1 GLN A 28 -7.313 -10.123 1.255 1.00 0.00 O ATOM 403 NE2 GLN A 28 -5.546 -11.169 2.097 1.00 0.00 N ATOM 0 H GLN A 28 -3.908 -7.112 -0.340 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.406 -9.535 0.362 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.903 -9.204 -1.297 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.331 -10.632 -0.458 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.455 -8.838 1.638 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.747 -8.225 0.626 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.533 -11.206 2.211 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.133 -11.889 2.518 1.00 0.00 H new ATOM 412 N PRO A 29 -1.635 -10.371 -1.954 1.00 0.00 N ATOM 413 CA PRO A 29 -0.929 -10.678 -3.191 1.00 0.00 C ATOM 414 C PRO A 29 -1.902 -10.809 -4.361 1.00 0.00 C ATOM 415 O PRO A 29 -3.098 -11.037 -4.162 1.00 0.00 O ATOM 416 CB PRO A 29 -0.218 -12.007 -2.928 1.00 0.00 C ATOM 417 CG PRO A 29 -1.080 -12.663 -1.854 1.00 0.00 C ATOM 418 CD PRO A 29 -1.558 -11.484 -1.028 1.00 0.00 C ATOM 0 HA PRO A 29 -0.230 -9.887 -3.462 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.164 -12.619 -3.829 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.805 -11.854 -2.584 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.913 -13.215 -2.288 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.507 -13.370 -1.254 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.529 -11.688 -0.577 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.867 -11.270 -0.213 1.00 0.00 H new ATOM 426 N ASN A 30 -1.346 -10.774 -5.577 1.00 0.00 N ATOM 427 CA ASN A 30 -2.017 -10.995 -6.859 1.00 0.00 C ATOM 428 C ASN A 30 -3.353 -10.242 -6.947 1.00 0.00 C ATOM 429 O ASN A 30 -4.377 -10.819 -7.315 1.00 0.00 O ATOM 430 CB ASN A 30 -2.158 -12.505 -7.150 1.00 0.00 C ATOM 431 CG ASN A 30 -0.825 -13.243 -7.291 1.00 0.00 C ATOM 432 OD1 ASN A 30 0.199 -12.666 -7.639 1.00 0.00 O ATOM 433 ND2 ASN A 30 -0.773 -14.529 -6.996 1.00 0.00 N ATOM 0 H ASN A 30 -0.352 -10.578 -5.698 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.390 -10.575 -7.645 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.733 -12.966 -6.347 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.731 -12.635 -8.068 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.113 -15.031 -7.059 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.618 -15.020 -6.705 1.00 0.00 H new ATOM 440 N ILE A 31 -3.363 -8.941 -6.628 1.00 0.00 N ATOM 441 CA ILE A 31 -4.594 -8.151 -6.504 1.00 0.00 C ATOM 442 C ILE A 31 -4.538 -6.746 -7.140 1.00 0.00 C ATOM 443 O ILE A 31 -5.569 -6.079 -7.219 1.00 0.00 O ATOM 444 CB ILE A 31 -5.037 -8.194 -5.033 1.00 0.00 C ATOM 445 CG1 ILE A 31 -6.503 -7.775 -4.838 1.00 0.00 C ATOM 446 CG2 ILE A 31 -4.102 -7.364 -4.156 1.00 0.00 C ATOM 447 CD1 ILE A 31 -7.148 -8.532 -3.679 1.00 0.00 C ATOM 0 H ILE A 31 -2.514 -8.405 -6.448 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.372 -8.608 -7.115 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.971 -9.235 -4.717 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.555 -6.703 -4.648 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.062 -7.964 -5.754 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.438 -7.411 -3.120 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.089 -7.760 -4.228 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.111 -6.328 -4.494 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.184 -8.213 -3.568 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.118 -9.602 -3.882 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.603 -8.322 -2.759 1.00 0.00 H new ATOM 459 N GLY A 32 -3.395 -6.294 -7.657 1.00 0.00 N ATOM 460 CA GLY A 32 -3.335 -5.234 -8.658 1.00 0.00 C ATOM 461 C GLY A 32 -1.916 -4.697 -8.815 1.00 0.00 C ATOM 462 O GLY A 32 -1.117 -4.795 -7.878 1.00 0.00 O ATOM 0 H GLY A 32 -2.480 -6.657 -7.390 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.689 -5.615 -9.616 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.003 -4.422 -8.371 1.00 0.00 H new ATOM 466 N LEU A 33 -1.611 -4.067 -9.955 1.00 0.00 N ATOM 467 CA LEU A 33 -0.319 -3.416 -10.208 1.00 0.00 C ATOM 468 C LEU A 33 -0.042 -2.358 -9.131 1.00 0.00 C ATOM 469 O LEU A 33 -0.964 -1.848 -8.484 1.00 0.00 O ATOM 470 CB LEU A 33 -0.323 -2.804 -11.628 1.00 0.00 C ATOM 471 CG LEU A 33 0.837 -1.846 -11.997 1.00 0.00 C ATOM 472 CD1 LEU A 33 2.211 -2.526 -11.993 1.00 0.00 C ATOM 473 CD2 LEU A 33 0.599 -1.247 -13.388 1.00 0.00 C ATOM 0 H LEU A 33 -2.261 -3.994 -10.737 1.00 0.00 H new ATOM 0 HA LEU A 33 0.484 -4.151 -10.157 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.325 -3.623 -12.347 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.260 -2.263 -11.759 1.00 0.00 H new ATOM 0 HG LEU A 33 0.846 -1.073 -11.229 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.978 -1.799 -12.260 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.418 -2.923 -10.999 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.216 -3.341 -12.717 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.419 -0.575 -13.640 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.547 -2.048 -14.125 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.339 -0.692 -13.389 1.00 0.00 H new ATOM 485 N LEU A 34 1.232 -2.009 -8.957 1.00 0.00 N ATOM 486 CA LEU A 34 1.693 -0.919 -8.112 1.00 0.00 C ATOM 487 C LEU A 34 2.560 0.041 -8.941 1.00 0.00 C ATOM 488 O LEU A 34 3.782 -0.095 -8.946 1.00 0.00 O ATOM 489 CB LEU A 34 2.455 -1.518 -6.924 1.00 0.00 C ATOM 490 CG LEU A 34 1.614 -2.410 -5.991 1.00 0.00 C ATOM 491 CD1 LEU A 34 2.417 -3.598 -5.453 1.00 0.00 C ATOM 492 CD2 LEU A 34 1.039 -1.571 -4.855 1.00 0.00 C ATOM 0 H LEU A 34 1.997 -2.499 -9.420 1.00 0.00 H new ATOM 0 HA LEU A 34 0.856 -0.339 -7.723 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.290 -2.105 -7.307 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.880 -0.704 -6.337 1.00 0.00 H new ATOM 0 HG LEU A 34 0.793 -2.829 -6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.784 -4.199 -4.800 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.764 -4.210 -6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.275 -3.232 -4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.445 -2.206 -4.198 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.853 -1.122 -4.286 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.407 -0.784 -5.267 1.00 0.00 H new ATOM 504 N TYR A 35 1.953 0.959 -9.703 1.00 0.00 N ATOM 505 CA TYR A 35 2.691 1.879 -10.576 1.00 0.00 C ATOM 506 C TYR A 35 3.483 2.933 -9.775 1.00 0.00 C ATOM 507 O TYR A 35 3.407 2.981 -8.545 1.00 0.00 O ATOM 508 CB TYR A 35 1.757 2.487 -11.635 1.00 0.00 C ATOM 509 CG TYR A 35 0.491 3.133 -11.111 1.00 0.00 C ATOM 510 CD1 TYR A 35 0.522 4.434 -10.587 1.00 0.00 C ATOM 511 CD2 TYR A 35 -0.733 2.450 -11.196 1.00 0.00 C ATOM 512 CE1 TYR A 35 -0.652 5.066 -10.151 1.00 0.00 C ATOM 513 CE2 TYR A 35 -1.917 3.061 -10.742 1.00 0.00 C ATOM 514 CZ TYR A 35 -1.877 4.374 -10.223 1.00 0.00 C ATOM 515 OH TYR A 35 -3.021 4.957 -9.794 1.00 0.00 O ATOM 0 H TYR A 35 0.941 1.085 -9.732 1.00 0.00 H new ATOM 0 HA TYR A 35 3.447 1.307 -11.114 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.316 3.234 -12.198 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.477 1.702 -12.337 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.464 4.957 -10.518 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.766 1.453 -11.611 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -0.617 6.074 -9.764 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.854 2.527 -10.790 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.520 5.303 -10.563 1.00 0.00 H new ATOM 525 N ASP A 36 4.286 3.767 -10.440 1.00 0.00 N ATOM 526 CA ASP A 36 5.015 4.865 -9.804 1.00 0.00 C ATOM 527 C ASP A 36 4.044 5.989 -9.444 1.00 0.00 C ATOM 528 O ASP A 36 3.217 6.416 -10.249 1.00 0.00 O ATOM 529 CB ASP A 36 6.123 5.404 -10.717 1.00 0.00 C ATOM 530 CG ASP A 36 5.547 6.065 -11.974 1.00 0.00 C ATOM 531 OD1 ASP A 36 5.029 5.297 -12.817 1.00 0.00 O ATOM 532 OD2 ASP A 36 5.539 7.317 -12.064 1.00 0.00 O ATOM 0 H ASP A 36 4.449 3.698 -11.444 1.00 0.00 H new ATOM 0 HA ASP A 36 5.484 4.481 -8.898 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.727 6.127 -10.169 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.786 4.589 -11.005 1.00 0.00 H new ATOM 537 N GLY A 37 4.130 6.461 -8.206 1.00 0.00 N ATOM 538 CA GLY A 37 3.259 7.498 -7.695 1.00 0.00 C ATOM 539 C GLY A 37 1.900 6.973 -7.242 1.00 0.00 C ATOM 540 O GLY A 37 1.041 7.781 -6.904 1.00 0.00 O ATOM 0 H GLY A 37 4.814 6.128 -7.527 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.748 7.993 -6.856 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.111 8.252 -8.468 1.00 0.00 H new ATOM 544 N MET A 38 1.660 5.659 -7.178 1.00 0.00 N ATOM 545 CA MET A 38 0.422 5.094 -6.656 1.00 0.00 C ATOM 546 C MET A 38 0.117 5.540 -5.216 1.00 0.00 C ATOM 547 O MET A 38 -0.994 5.326 -4.742 1.00 0.00 O ATOM 548 CB MET A 38 0.517 3.562 -6.719 1.00 0.00 C ATOM 549 CG MET A 38 -0.834 2.944 -7.046 1.00 0.00 C ATOM 550 SD MET A 38 -0.950 1.175 -6.651 1.00 0.00 S ATOM 551 CE MET A 38 -2.213 1.161 -5.354 1.00 0.00 C ATOM 0 H MET A 38 2.329 4.956 -7.491 1.00 0.00 H new ATOM 0 HA MET A 38 -0.398 5.461 -7.273 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.247 3.270 -7.474 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.875 3.177 -5.764 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.610 3.480 -6.499 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.039 3.083 -8.107 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.997 0.362 -4.644 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.211 2.119 -4.834 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.193 0.993 -5.802 1.00 0.00 H new ATOM 561 N PHE A 39 1.077 6.149 -4.513 1.00 0.00 N ATOM 562 CA PHE A 39 0.957 6.593 -3.129 1.00 0.00 C ATOM 563 C PHE A 39 1.219 8.105 -2.996 1.00 0.00 C ATOM 564 O PHE A 39 1.368 8.610 -1.885 1.00 0.00 O ATOM 565 CB PHE A 39 1.871 5.697 -2.269 1.00 0.00 C ATOM 566 CG PHE A 39 1.501 4.225 -2.377 1.00 0.00 C ATOM 567 CD1 PHE A 39 0.320 3.759 -1.765 1.00 0.00 C ATOM 568 CD2 PHE A 39 2.265 3.339 -3.167 1.00 0.00 C ATOM 569 CE1 PHE A 39 -0.097 2.427 -1.943 1.00 0.00 C ATOM 570 CE2 PHE A 39 1.801 2.039 -3.410 1.00 0.00 C ATOM 571 CZ PHE A 39 0.643 1.563 -2.772 1.00 0.00 C ATOM 0 H PHE A 39 1.993 6.352 -4.912 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.062 6.477 -2.761 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.907 5.833 -2.580 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.807 6.010 -1.227 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.269 4.429 -1.156 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.207 3.663 -3.584 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -0.985 2.068 -1.444 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.338 1.398 -4.093 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.323 0.542 -2.917 1.00 0.00 H new ATOM 581 N SER A 40 1.280 8.850 -4.108 1.00 0.00 N ATOM 582 CA SER A 40 1.569 10.279 -4.107 1.00 0.00 C ATOM 583 C SER A 40 0.437 11.056 -3.429 1.00 0.00 C ATOM 584 O SER A 40 -0.582 11.330 -4.063 1.00 0.00 O ATOM 585 CB SER A 40 1.831 10.748 -5.546 1.00 0.00 C ATOM 586 OG SER A 40 0.695 10.569 -6.374 1.00 0.00 O ATOM 0 H SER A 40 1.127 8.467 -5.041 1.00 0.00 H new ATOM 0 HA SER A 40 2.470 10.476 -3.526 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.113 11.801 -5.539 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.674 10.195 -5.961 1.00 0.00 H new ATOM 0 HG SER A 40 0.647 9.635 -6.666 1.00 0.00 H new ATOM 592 N GLY A 41 0.598 11.404 -2.156 1.00 0.00 N ATOM 593 CA GLY A 41 -0.353 12.174 -1.374 1.00 0.00 C ATOM 594 C GLY A 41 -0.704 11.502 -0.051 1.00 0.00 C ATOM 595 O GLY A 41 -1.398 12.122 0.756 1.00 0.00 O ATOM 0 H GLY A 41 1.429 11.145 -1.623 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.061 13.163 -1.177 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.263 12.320 -1.956 1.00 0.00 H new ATOM 599 N CYS A 42 -0.241 10.271 0.204 1.00 0.00 N ATOM 600 CA CYS A 42 -0.467 9.553 1.454 1.00 0.00 C ATOM 601 C CYS A 42 0.387 10.133 2.597 1.00 0.00 C ATOM 602 O CYS A 42 1.198 9.418 3.180 1.00 0.00 O ATOM 603 CB CYS A 42 -0.156 8.059 1.255 1.00 0.00 C ATOM 604 SG CYS A 42 -1.063 7.316 -0.132 1.00 0.00 S ATOM 0 H CYS A 42 0.311 9.741 -0.470 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.514 9.670 1.734 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.914 7.937 1.088 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.399 7.519 2.170 1.00 0.00 H new ATOM 0 HG CYS A 42 -2.268 7.802 -0.173 1.00 0.00 H new ATOM 610 N THR A 43 0.203 11.400 2.964 1.00 0.00 N ATOM 611 CA THR A 43 1.044 12.158 3.894 1.00 0.00 C ATOM 612 C THR A 43 0.903 11.740 5.376 1.00 0.00 C ATOM 613 O THR A 43 1.133 12.546 6.278 1.00 0.00 O ATOM 614 CB THR A 43 0.792 13.660 3.646 1.00 0.00 C ATOM 615 OG1 THR A 43 -0.597 13.936 3.558 1.00 0.00 O ATOM 616 CG2 THR A 43 1.450 14.096 2.331 1.00 0.00 C ATOM 0 H THR A 43 -0.574 11.954 2.604 1.00 0.00 H new ATOM 0 HA THR A 43 2.089 11.924 3.689 1.00 0.00 H new ATOM 0 HB THR A 43 1.220 14.207 4.486 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.731 14.894 3.402 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.266 15.158 2.166 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.524 13.918 2.385 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.029 13.522 1.506 1.00 0.00 H new ATOM 624 N ALA A 44 0.509 10.495 5.662 1.00 0.00 N ATOM 625 CA ALA A 44 0.709 9.851 6.955 1.00 0.00 C ATOM 626 C ALA A 44 1.085 8.367 6.802 1.00 0.00 C ATOM 627 O ALA A 44 0.899 7.614 7.752 1.00 0.00 O ATOM 628 CB ALA A 44 -0.549 10.019 7.817 1.00 0.00 C ATOM 0 H ALA A 44 0.033 9.899 4.985 1.00 0.00 H new ATOM 0 HA ALA A 44 1.547 10.337 7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.396 9.536 8.782 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.747 11.080 7.969 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.399 9.560 7.313 1.00 0.00 H new ATOM 634 N LEU A 45 1.522 7.907 5.622 1.00 0.00 N ATOM 635 CA LEU A 45 1.844 6.499 5.403 1.00 0.00 C ATOM 636 C LEU A 45 3.108 6.151 6.169 1.00 0.00 C ATOM 637 O LEU A 45 4.154 6.744 5.911 1.00 0.00 O ATOM 638 CB LEU A 45 2.015 6.184 3.908 1.00 0.00 C ATOM 639 CG LEU A 45 1.500 4.787 3.516 1.00 0.00 C ATOM 640 CD1 LEU A 45 1.384 4.656 1.991 1.00 0.00 C ATOM 641 CD2 LEU A 45 1.748 3.497 4.299 1.00 0.00 C ATOM 0 H LEU A 45 1.660 8.498 4.802 1.00 0.00 H new ATOM 0 HA LEU A 45 1.015 5.892 5.767 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.486 6.936 3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.070 6.261 3.646 1.00 0.00 H new ATOM 0 HG LEU A 45 0.541 4.836 4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.018 3.661 1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.688 5.405 1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.363 4.809 1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.266 2.663 3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.820 3.311 4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.335 3.596 5.303 1.00 0.00 H new ATOM 653 N GLU A 46 3.022 5.182 7.085 1.00 0.00 N ATOM 654 CA GLU A 46 4.185 4.709 7.824 1.00 0.00 C ATOM 655 C GLU A 46 4.331 3.185 7.757 1.00 0.00 C ATOM 656 O GLU A 46 5.447 2.711 7.948 1.00 0.00 O ATOM 657 CB GLU A 46 4.170 5.264 9.260 1.00 0.00 C ATOM 658 CG GLU A 46 4.184 6.810 9.204 1.00 0.00 C ATOM 659 CD GLU A 46 4.285 7.530 10.547 1.00 0.00 C ATOM 660 OE1 GLU A 46 3.557 7.164 11.486 1.00 0.00 O ATOM 661 OE2 GLU A 46 5.030 8.551 10.608 1.00 0.00 O ATOM 0 H GLU A 46 2.151 4.711 7.330 1.00 0.00 H new ATOM 0 HA GLU A 46 5.082 5.098 7.343 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.283 4.915 9.789 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.036 4.900 9.813 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.023 7.123 8.583 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.275 7.143 8.703 1.00 0.00 H new ATOM 668 N LYS A 47 3.298 2.409 7.390 1.00 0.00 N ATOM 669 CA LYS A 47 3.350 0.954 7.213 1.00 0.00 C ATOM 670 C LYS A 47 2.460 0.461 6.071 1.00 0.00 C ATOM 671 O LYS A 47 1.381 0.983 5.807 1.00 0.00 O ATOM 672 CB LYS A 47 2.856 0.249 8.477 1.00 0.00 C ATOM 673 CG LYS A 47 3.861 0.195 9.629 1.00 0.00 C ATOM 674 CD LYS A 47 3.451 -0.970 10.541 1.00 0.00 C ATOM 675 CE LYS A 47 4.574 -1.366 11.501 1.00 0.00 C ATOM 676 NZ LYS A 47 4.208 -2.519 12.352 1.00 0.00 N ATOM 0 H LYS A 47 2.372 2.794 7.203 1.00 0.00 H new ATOM 0 HA LYS A 47 4.392 0.723 6.991 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.955 0.753 8.826 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.571 -0.770 8.217 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.872 0.048 9.250 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.861 1.134 10.182 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.567 -0.689 11.113 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.176 -1.830 9.930 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.469 -1.610 10.928 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.824 -0.515 12.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.001 -2.749 12.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.370 -2.279 12.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.995 -3.341 11.751 1.00 0.00 H new ATOM 690 N LEU A 48 2.848 -0.665 5.493 1.00 0.00 N ATOM 691 CA LEU A 48 2.217 -1.376 4.396 1.00 0.00 C ATOM 692 C LEU A 48 2.419 -2.842 4.731 1.00 0.00 C ATOM 693 O LEU A 48 3.532 -3.360 4.647 1.00 0.00 O ATOM 694 CB LEU A 48 2.866 -1.008 3.051 1.00 0.00 C ATOM 695 CG LEU A 48 2.305 -1.826 1.866 1.00 0.00 C ATOM 696 CD1 LEU A 48 1.410 -0.972 0.968 1.00 0.00 C ATOM 697 CD2 LEU A 48 3.420 -2.414 1.006 1.00 0.00 C ATOM 0 H LEU A 48 3.689 -1.147 5.810 1.00 0.00 H new ATOM 0 HA LEU A 48 1.162 -1.123 4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.712 0.054 2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.942 -1.167 3.118 1.00 0.00 H new ATOM 0 HG LEU A 48 1.721 -2.633 2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.034 -1.580 0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.571 -0.588 1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.986 -0.138 0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.984 -2.982 0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.034 -1.608 0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.039 -3.073 1.614 1.00 0.00 H new ATOM 709 N ILE A 49 1.377 -3.505 5.201 1.00 0.00 N ATOM 710 CA ILE A 49 1.481 -4.908 5.577 1.00 0.00 C ATOM 711 C ILE A 49 1.185 -5.688 4.299 1.00 0.00 C ATOM 712 O ILE A 49 0.346 -5.270 3.504 1.00 0.00 O ATOM 713 CB ILE A 49 0.602 -5.243 6.806 1.00 0.00 C ATOM 714 CG1 ILE A 49 0.968 -4.312 7.989 1.00 0.00 C ATOM 715 CG2 ILE A 49 0.830 -6.707 7.244 1.00 0.00 C ATOM 716 CD1 ILE A 49 0.077 -3.076 8.166 1.00 0.00 C ATOM 0 H ILE A 49 0.451 -3.098 5.332 1.00 0.00 H new ATOM 0 HA ILE A 49 2.471 -5.188 5.935 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.442 -5.100 6.528 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.935 -4.895 8.909 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.998 -3.979 7.859 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.206 -6.929 8.109 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.567 -7.377 6.425 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.878 -6.849 7.507 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.424 -2.497 9.022 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.126 -2.460 7.268 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.953 -3.391 8.334 1.00 0.00 H new ATOM 728 N LEU A 50 1.877 -6.800 4.068 1.00 0.00 N ATOM 729 CA LEU A 50 1.633 -7.648 2.903 1.00 0.00 C ATOM 730 C LEU A 50 1.167 -9.009 3.412 1.00 0.00 C ATOM 731 O LEU A 50 1.620 -9.437 4.472 1.00 0.00 O ATOM 732 CB LEU A 50 2.882 -7.748 2.005 1.00 0.00 C ATOM 733 CG LEU A 50 3.284 -6.457 1.239 1.00 0.00 C ATOM 734 CD1 LEU A 50 4.508 -6.727 0.363 1.00 0.00 C ATOM 735 CD2 LEU A 50 2.180 -5.831 0.411 1.00 0.00 C ATOM 0 H LEU A 50 2.620 -7.138 4.680 1.00 0.00 H new ATOM 0 HA LEU A 50 0.858 -7.214 2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.725 -8.055 2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.717 -8.541 1.276 1.00 0.00 H new ATOM 0 HG LEU A 50 3.515 -5.724 2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.782 -5.816 -0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.341 -7.045 0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.275 -7.512 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.559 -4.937 -0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.839 -6.544 -0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.347 -5.561 1.060 1.00 0.00 H new ATOM 747 N THR A 51 0.279 -9.687 2.680 1.00 0.00 N ATOM 748 CA THR A 51 -0.331 -10.956 3.109 1.00 0.00 C ATOM 749 C THR A 51 0.005 -12.085 2.115 1.00 0.00 C ATOM 750 O THR A 51 -0.819 -12.969 1.854 1.00 0.00 O ATOM 751 CB THR A 51 -1.849 -10.785 3.404 1.00 0.00 C ATOM 752 OG1 THR A 51 -2.648 -10.966 2.248 1.00 0.00 O ATOM 753 CG2 THR A 51 -2.234 -9.443 4.040 1.00 0.00 C ATOM 0 H THR A 51 -0.042 -9.371 1.765 1.00 0.00 H new ATOM 0 HA THR A 51 0.106 -11.261 4.060 1.00 0.00 H new ATOM 0 HB THR A 51 -2.047 -11.571 4.133 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.353 -11.769 1.769 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.311 -9.416 4.209 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.715 -9.329 4.992 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.951 -8.629 3.372 1.00 0.00 H new ATOM 761 N GLY A 52 1.148 -11.985 1.430 1.00 0.00 N ATOM 762 CA GLY A 52 1.598 -12.942 0.429 1.00 0.00 C ATOM 763 C GLY A 52 2.972 -13.467 0.793 1.00 0.00 C ATOM 764 O GLY A 52 3.756 -12.761 1.431 1.00 0.00 O ATOM 0 H GLY A 52 1.800 -11.212 1.564 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.891 -13.768 0.360 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.629 -12.467 -0.552 1.00 0.00 H new ATOM 768 N GLU A 53 3.277 -14.687 0.364 1.00 0.00 N ATOM 769 CA GLU A 53 4.333 -15.482 0.983 1.00 0.00 C ATOM 770 C GLU A 53 5.552 -15.630 0.062 1.00 0.00 C ATOM 771 O GLU A 53 6.503 -16.334 0.399 1.00 0.00 O ATOM 772 CB GLU A 53 3.745 -16.825 1.457 1.00 0.00 C ATOM 773 CG GLU A 53 2.512 -16.621 2.360 1.00 0.00 C ATOM 774 CD GLU A 53 1.983 -17.914 2.986 1.00 0.00 C ATOM 775 OE1 GLU A 53 1.755 -18.903 2.260 1.00 0.00 O ATOM 776 OE2 GLU A 53 1.793 -17.974 4.225 1.00 0.00 O ATOM 0 H GLU A 53 2.806 -15.149 -0.414 1.00 0.00 H new ATOM 0 HA GLU A 53 4.715 -14.963 1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.467 -17.426 0.591 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.506 -17.384 2.001 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.768 -15.921 3.156 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.717 -16.160 1.774 1.00 0.00 H new ATOM 783 N ASP A 54 5.551 -14.946 -1.085 1.00 0.00 N ATOM 784 CA ASP A 54 6.688 -14.839 -1.992 1.00 0.00 C ATOM 785 C ASP A 54 6.658 -13.449 -2.621 1.00 0.00 C ATOM 786 O ASP A 54 5.574 -12.967 -2.955 1.00 0.00 O ATOM 787 CB ASP A 54 6.541 -15.902 -3.092 1.00 0.00 C ATOM 788 CG ASP A 54 7.879 -16.213 -3.760 1.00 0.00 C ATOM 789 OD1 ASP A 54 8.337 -15.406 -4.592 1.00 0.00 O ATOM 790 OD2 ASP A 54 8.453 -17.288 -3.472 1.00 0.00 O ATOM 0 H ASP A 54 4.731 -14.437 -1.415 1.00 0.00 H new ATOM 0 HA ASP A 54 7.627 -14.992 -1.461 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.128 -16.815 -2.663 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.832 -15.553 -3.843 1.00 0.00 H new ATOM 795 N PRO A 55 7.811 -12.817 -2.870 1.00 0.00 N ATOM 796 CA PRO A 55 7.883 -11.526 -3.550 1.00 0.00 C ATOM 797 C PRO A 55 7.524 -11.593 -5.037 1.00 0.00 C ATOM 798 O PRO A 55 7.352 -10.558 -5.679 1.00 0.00 O ATOM 799 CB PRO A 55 9.323 -11.082 -3.360 1.00 0.00 C ATOM 800 CG PRO A 55 10.092 -12.387 -3.215 1.00 0.00 C ATOM 801 CD PRO A 55 9.128 -13.245 -2.430 1.00 0.00 C ATOM 0 HA PRO A 55 7.155 -10.830 -3.133 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.678 -10.502 -4.212 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.434 -10.453 -2.477 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.332 -12.827 -4.183 1.00 0.00 H new ATOM 0 HG3 PRO A 55 11.035 -12.247 -2.686 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.287 -14.305 -2.630 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.253 -13.101 -1.357 1.00 0.00 H new ATOM 809 N SER A 56 7.427 -12.796 -5.587 1.00 0.00 N ATOM 810 CA SER A 56 6.844 -13.082 -6.896 1.00 0.00 C ATOM 811 C SER A 56 5.374 -12.634 -6.956 1.00 0.00 C ATOM 812 O SER A 56 4.876 -12.287 -8.027 1.00 0.00 O ATOM 813 CB SER A 56 6.962 -14.597 -7.135 1.00 0.00 C ATOM 814 OG SER A 56 6.359 -15.034 -8.336 1.00 0.00 O ATOM 0 H SER A 56 7.765 -13.635 -5.116 1.00 0.00 H new ATOM 0 HA SER A 56 7.375 -12.531 -7.672 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.017 -14.872 -7.148 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.505 -15.124 -6.297 1.00 0.00 H new ATOM 0 HG SER A 56 6.472 -16.003 -8.425 1.00 0.00 H new ATOM 820 N ALA A 57 4.669 -12.657 -5.821 1.00 0.00 N ATOM 821 CA ALA A 57 3.219 -12.537 -5.738 1.00 0.00 C ATOM 822 C ALA A 57 2.710 -11.087 -5.895 1.00 0.00 C ATOM 823 O ALA A 57 1.560 -10.799 -5.547 1.00 0.00 O ATOM 824 CB ALA A 57 2.797 -13.181 -4.410 1.00 0.00 C ATOM 0 H ALA A 57 5.111 -12.763 -4.908 1.00 0.00 H new ATOM 0 HA ALA A 57 2.755 -13.056 -6.577 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.714 -13.116 -4.302 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.100 -14.228 -4.401 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.277 -12.657 -3.583 1.00 0.00 H new ATOM 830 N TYR A 58 3.565 -10.168 -6.359 1.00 0.00 N ATOM 831 CA TYR A 58 3.303 -8.735 -6.501 1.00 0.00 C ATOM 832 C TYR A 58 3.911 -8.212 -7.819 1.00 0.00 C ATOM 833 O TYR A 58 4.402 -8.993 -8.642 1.00 0.00 O ATOM 834 CB TYR A 58 3.831 -7.997 -5.253 1.00 0.00 C ATOM 835 CG TYR A 58 3.037 -8.279 -3.985 1.00 0.00 C ATOM 836 CD1 TYR A 58 3.341 -9.400 -3.188 1.00 0.00 C ATOM 837 CD2 TYR A 58 2.001 -7.410 -3.589 1.00 0.00 C ATOM 838 CE1 TYR A 58 2.595 -9.671 -2.030 1.00 0.00 C ATOM 839 CE2 TYR A 58 1.257 -7.669 -2.422 1.00 0.00 C ATOM 840 CZ TYR A 58 1.549 -8.806 -1.635 1.00 0.00 C ATOM 841 OH TYR A 58 0.843 -9.075 -0.498 1.00 0.00 O ATOM 0 H TYR A 58 4.506 -10.419 -6.661 1.00 0.00 H new ATOM 0 HA TYR A 58 2.231 -8.546 -6.561 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.871 -8.280 -5.089 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.819 -6.924 -5.446 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.153 -10.055 -3.469 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.776 -6.538 -4.185 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.822 -10.545 -1.438 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.463 -6.999 -2.128 1.00 0.00 H new ATOM 0 HH TYR A 58 0.282 -8.304 -0.271 1.00 0.00 H new ATOM 851 N SER A 59 3.829 -6.900 -8.056 1.00 0.00 N ATOM 852 CA SER A 59 4.430 -6.170 -9.173 1.00 0.00 C ATOM 853 C SER A 59 4.868 -4.797 -8.657 1.00 0.00 C ATOM 854 O SER A 59 4.480 -4.402 -7.558 1.00 0.00 O ATOM 855 CB SER A 59 3.384 -6.001 -10.290 1.00 0.00 C ATOM 856 OG SER A 59 3.923 -5.604 -11.546 1.00 0.00 O ATOM 0 H SER A 59 3.309 -6.282 -7.434 1.00 0.00 H new ATOM 0 HA SER A 59 5.287 -6.712 -9.573 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.852 -6.944 -10.418 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.649 -5.261 -9.974 1.00 0.00 H new ATOM 0 HG SER A 59 3.199 -5.520 -12.201 1.00 0.00 H new ATOM 862 N ALA A 60 5.574 -4.022 -9.474 1.00 0.00 N ATOM 863 CA ALA A 60 5.742 -2.584 -9.314 1.00 0.00 C ATOM 864 C ALA A 60 5.970 -1.967 -10.704 1.00 0.00 C ATOM 865 O ALA A 60 6.140 -2.701 -11.685 1.00 0.00 O ATOM 866 CB ALA A 60 6.871 -2.300 -8.330 1.00 0.00 C ATOM 0 H ALA A 60 6.060 -4.390 -10.292 1.00 0.00 H new ATOM 0 HA ALA A 60 4.850 -2.123 -8.889 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.991 -1.223 -8.215 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.631 -2.744 -7.364 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.799 -2.730 -8.707 1.00 0.00 H new ATOM 872 N GLY A 61 5.916 -0.639 -10.808 1.00 0.00 N ATOM 873 CA GLY A 61 5.914 0.084 -12.071 1.00 0.00 C ATOM 874 C GLY A 61 7.308 0.593 -12.376 1.00 0.00 C ATOM 875 O GLY A 61 8.177 -0.196 -12.750 1.00 0.00 O ATOM 0 H GLY A 61 5.871 -0.025 -9.994 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.572 -0.570 -12.874 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.215 0.919 -12.021 1.00 0.00 H new ATOM 879 N ASP A 62 7.521 1.902 -12.242 1.00 0.00 N ATOM 880 CA ASP A 62 8.816 2.537 -12.513 1.00 0.00 C ATOM 881 C ASP A 62 9.533 2.915 -11.217 1.00 0.00 C ATOM 882 O ASP A 62 10.756 3.011 -11.175 1.00 0.00 O ATOM 883 CB ASP A 62 8.631 3.758 -13.414 1.00 0.00 C ATOM 884 CG ASP A 62 9.988 4.261 -13.883 1.00 0.00 C ATOM 885 OD1 ASP A 62 10.680 3.514 -14.634 1.00 0.00 O ATOM 886 OD2 ASP A 62 10.404 5.356 -13.486 1.00 0.00 O ATOM 0 H ASP A 62 6.799 2.557 -11.941 1.00 0.00 H new ATOM 0 HA ASP A 62 9.445 1.815 -13.034 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.013 3.498 -14.273 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.108 4.546 -12.872 1.00 0.00 H new ATOM 891 N GLY A 63 8.764 3.041 -10.140 1.00 0.00 N ATOM 892 CA GLY A 63 9.201 2.841 -8.783 1.00 0.00 C ATOM 893 C GLY A 63 8.157 1.933 -8.152 1.00 0.00 C ATOM 894 O GLY A 63 7.673 1.004 -8.799 1.00 0.00 O ATOM 0 H GLY A 63 7.779 3.297 -10.203 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.190 2.383 -8.752 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.272 3.789 -8.249 1.00 0.00 H new ATOM 898 N LEU A 64 7.743 2.240 -6.929 1.00 0.00 N ATOM 899 CA LEU A 64 6.799 1.432 -6.149 1.00 0.00 C ATOM 900 C LEU A 64 6.166 2.256 -5.037 1.00 0.00 C ATOM 901 O LEU A 64 4.947 2.247 -4.876 1.00 0.00 O ATOM 902 CB LEU A 64 7.534 0.214 -5.555 1.00 0.00 C ATOM 903 CG LEU A 64 6.709 -0.772 -4.698 1.00 0.00 C ATOM 904 CD1 LEU A 64 6.739 -0.441 -3.204 1.00 0.00 C ATOM 905 CD2 LEU A 64 5.248 -0.931 -5.124 1.00 0.00 C ATOM 0 H LEU A 64 8.058 3.075 -6.436 1.00 0.00 H new ATOM 0 HA LEU A 64 6.002 1.090 -6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.976 -0.346 -6.379 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.357 0.584 -4.943 1.00 0.00 H new ATOM 0 HG LEU A 64 7.216 -1.720 -4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.141 -1.170 -2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.768 -0.473 -2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.330 0.557 -3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.752 -1.642 -4.464 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.744 0.034 -5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.206 -1.298 -6.150 1.00 0.00 H new ATOM 917 N ARG A 65 6.959 2.997 -4.266 1.00 0.00 N ATOM 918 CA ARG A 65 6.485 3.768 -3.111 1.00 0.00 C ATOM 919 C ARG A 65 6.462 5.274 -3.381 1.00 0.00 C ATOM 920 O ARG A 65 6.374 6.056 -2.443 1.00 0.00 O ATOM 921 CB ARG A 65 7.334 3.403 -1.882 1.00 0.00 C ATOM 922 CG ARG A 65 8.831 3.760 -1.977 1.00 0.00 C ATOM 923 CD ARG A 65 9.218 5.003 -1.165 1.00 0.00 C ATOM 924 NE ARG A 65 10.124 5.880 -1.922 1.00 0.00 N ATOM 925 CZ ARG A 65 10.714 6.976 -1.438 1.00 0.00 C ATOM 926 NH1 ARG A 65 10.745 7.202 -0.129 1.00 0.00 N ATOM 927 NH2 ARG A 65 11.289 7.839 -2.265 1.00 0.00 N ATOM 0 H ARG A 65 7.963 3.082 -4.425 1.00 0.00 H new ATOM 0 HA ARG A 65 5.447 3.501 -2.913 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.914 3.905 -1.010 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.245 2.331 -1.706 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.421 2.912 -1.631 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.091 3.924 -3.023 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.319 5.555 -0.892 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.698 4.697 -0.236 1.00 0.00 H new ATOM 0 HE ARG A 65 10.317 5.632 -2.892 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.316 6.536 0.514 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.198 8.041 0.233 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.280 7.665 -3.270 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.740 8.676 -1.896 1.00 0.00 H new ATOM 941 N ASP A 66 6.611 5.660 -4.643 1.00 0.00 N ATOM 942 CA ASP A 66 6.912 7.023 -5.058 1.00 0.00 C ATOM 943 C ASP A 66 5.846 8.007 -4.587 1.00 0.00 C ATOM 944 O ASP A 66 4.664 7.673 -4.480 1.00 0.00 O ATOM 945 CB ASP A 66 7.125 7.054 -6.576 1.00 0.00 C ATOM 946 CG ASP A 66 8.587 6.757 -6.868 1.00 0.00 C ATOM 947 OD1 ASP A 66 8.965 5.561 -6.775 1.00 0.00 O ATOM 948 OD2 ASP A 66 9.372 7.700 -7.061 1.00 0.00 O ATOM 0 H ASP A 66 6.523 5.014 -5.427 1.00 0.00 H new ATOM 0 HA ASP A 66 7.836 7.349 -4.580 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.485 6.318 -7.063 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.850 8.030 -6.977 1.00 0.00 H new ATOM 953 N GLY A 67 6.292 9.222 -4.268 1.00 0.00 N ATOM 954 CA GLY A 67 5.505 10.273 -3.641 1.00 0.00 C ATOM 955 C GLY A 67 5.324 10.060 -2.135 1.00 0.00 C ATOM 956 O GLY A 67 5.242 11.044 -1.392 1.00 0.00 O ATOM 0 H GLY A 67 7.254 9.509 -4.449 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.989 11.234 -3.812 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.526 10.320 -4.117 1.00 0.00 H new ATOM 960 N ALA A 68 5.296 8.810 -1.663 1.00 0.00 N ATOM 961 CA ALA A 68 5.200 8.439 -0.257 1.00 0.00 C ATOM 962 C ALA A 68 6.566 7.980 0.267 1.00 0.00 C ATOM 963 O ALA A 68 7.591 8.101 -0.417 1.00 0.00 O ATOM 964 CB ALA A 68 4.132 7.356 -0.097 1.00 0.00 C ATOM 0 H ALA A 68 5.342 7.999 -2.280 1.00 0.00 H new ATOM 0 HA ALA A 68 4.903 9.303 0.338 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.055 7.073 0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.171 7.739 -0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.408 6.483 -0.688 1.00 0.00 H new ATOM 970 N ASP A 69 6.590 7.519 1.514 1.00 0.00 N ATOM 971 CA ASP A 69 7.740 7.033 2.268 1.00 0.00 C ATOM 972 C ASP A 69 7.175 6.271 3.476 1.00 0.00 C ATOM 973 O ASP A 69 6.817 6.881 4.482 1.00 0.00 O ATOM 974 CB ASP A 69 8.596 8.249 2.658 1.00 0.00 C ATOM 975 CG ASP A 69 9.893 7.934 3.397 1.00 0.00 C ATOM 976 OD1 ASP A 69 9.907 7.938 4.648 1.00 0.00 O ATOM 977 OD2 ASP A 69 10.937 7.891 2.706 1.00 0.00 O ATOM 0 H ASP A 69 5.735 7.472 2.068 1.00 0.00 H new ATOM 0 HA ASP A 69 8.385 6.358 1.705 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.841 8.804 1.752 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.994 8.909 3.283 1.00 0.00 H new ATOM 982 N PHE A 70 6.973 4.958 3.335 1.00 0.00 N ATOM 983 CA PHE A 70 6.304 4.069 4.290 1.00 0.00 C ATOM 984 C PHE A 70 7.141 2.784 4.464 1.00 0.00 C ATOM 985 O PHE A 70 8.074 2.514 3.701 1.00 0.00 O ATOM 986 CB PHE A 70 4.875 3.786 3.768 1.00 0.00 C ATOM 987 CG PHE A 70 4.823 3.118 2.406 1.00 0.00 C ATOM 988 CD1 PHE A 70 5.093 1.744 2.274 1.00 0.00 C ATOM 989 CD2 PHE A 70 4.548 3.883 1.257 1.00 0.00 C ATOM 990 CE1 PHE A 70 5.094 1.151 1.007 1.00 0.00 C ATOM 991 CE2 PHE A 70 4.489 3.278 -0.009 1.00 0.00 C ATOM 992 CZ PHE A 70 4.782 1.913 -0.126 1.00 0.00 C ATOM 0 H PHE A 70 7.290 4.458 2.504 1.00 0.00 H new ATOM 0 HA PHE A 70 6.220 4.529 5.275 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.357 3.153 4.489 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.327 4.727 3.718 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.299 1.147 3.150 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.381 4.946 1.350 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.336 0.104 0.902 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.221 3.857 -0.880 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.767 1.444 -1.099 1.00 0.00 H new ATOM 1002 N LEU A 71 6.762 1.925 5.409 1.00 0.00 N ATOM 1003 CA LEU A 71 7.450 0.647 5.663 1.00 0.00 C ATOM 1004 C LEU A 71 6.659 -0.519 5.087 1.00 0.00 C ATOM 1005 O LEU A 71 5.451 -0.419 4.957 1.00 0.00 O ATOM 1006 CB LEU A 71 7.627 0.394 7.174 1.00 0.00 C ATOM 1007 CG LEU A 71 8.807 1.156 7.791 1.00 0.00 C ATOM 1008 CD1 LEU A 71 8.725 1.132 9.320 1.00 0.00 C ATOM 1009 CD2 LEU A 71 10.141 0.547 7.351 1.00 0.00 C ATOM 0 H LEU A 71 5.967 2.091 6.026 1.00 0.00 H new ATOM 0 HA LEU A 71 8.426 0.717 5.183 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.711 0.679 7.691 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.768 -0.674 7.341 1.00 0.00 H new ATOM 0 HG LEU A 71 8.752 2.187 7.441 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.571 1.678 9.738 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.795 1.601 9.642 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.750 0.100 9.670 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.962 1.105 7.802 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.190 -0.493 7.672 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.223 0.595 6.265 1.00 0.00 H new ATOM 1021 N ILE A 72 7.307 -1.647 4.816 1.00 0.00 N ATOM 1022 CA ILE A 72 6.738 -2.862 4.232 1.00 0.00 C ATOM 1023 C ILE A 72 6.942 -3.978 5.270 1.00 0.00 C ATOM 1024 O ILE A 72 8.056 -4.463 5.475 1.00 0.00 O ATOM 1025 CB ILE A 72 7.370 -3.132 2.847 1.00 0.00 C ATOM 1026 CG1 ILE A 72 7.080 -1.937 1.894 1.00 0.00 C ATOM 1027 CG2 ILE A 72 6.866 -4.430 2.181 1.00 0.00 C ATOM 1028 CD1 ILE A 72 7.785 -1.924 0.537 1.00 0.00 C ATOM 0 H ILE A 72 8.304 -1.746 5.009 1.00 0.00 H new ATOM 0 HA ILE A 72 5.670 -2.782 4.027 1.00 0.00 H new ATOM 0 HB ILE A 72 8.440 -3.250 3.019 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.005 -1.904 1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.344 -1.018 2.418 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.352 -4.555 1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.103 -5.282 2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.787 -4.371 2.040 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.488 -1.034 -0.019 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.864 -1.914 0.688 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.505 -2.814 -0.027 1.00 0.00 H new ATOM 1040 N CYS A 73 5.878 -4.327 5.991 1.00 0.00 N ATOM 1041 CA CYS A 73 5.865 -5.296 7.081 1.00 0.00 C ATOM 1042 C CYS A 73 5.345 -6.665 6.603 1.00 0.00 C ATOM 1043 O CYS A 73 4.172 -6.760 6.236 1.00 0.00 O ATOM 1044 CB CYS A 73 4.985 -4.747 8.213 1.00 0.00 C ATOM 1045 SG CYS A 73 5.290 -2.973 8.474 1.00 0.00 S ATOM 0 H CYS A 73 4.958 -3.921 5.821 1.00 0.00 H new ATOM 0 HA CYS A 73 6.882 -5.446 7.442 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.934 -4.907 7.972 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.188 -5.294 9.134 1.00 0.00 H new ATOM 0 HG CYS A 73 6.255 -2.820 9.331 1.00 0.00 H new ATOM 1051 N VAL A 74 6.175 -7.703 6.515 1.00 0.00 N ATOM 1052 CA VAL A 74 5.853 -8.951 5.804 1.00 0.00 C ATOM 1053 C VAL A 74 5.749 -10.119 6.796 1.00 0.00 C ATOM 1054 O VAL A 74 6.324 -10.024 7.881 1.00 0.00 O ATOM 1055 CB VAL A 74 6.901 -9.213 4.694 1.00 0.00 C ATOM 1056 CG1 VAL A 74 6.894 -8.093 3.646 1.00 0.00 C ATOM 1057 CG2 VAL A 74 8.338 -9.369 5.216 1.00 0.00 C ATOM 0 H VAL A 74 7.103 -7.707 6.939 1.00 0.00 H new ATOM 0 HA VAL A 74 4.881 -8.855 5.320 1.00 0.00 H new ATOM 0 HB VAL A 74 6.599 -10.162 4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.640 -8.306 2.881 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.908 -8.032 3.185 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.128 -7.143 4.127 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.012 -9.550 4.378 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.638 -8.458 5.733 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.385 -10.210 5.907 1.00 0.00 H new ATOM 1067 N PRO A 75 5.050 -11.226 6.475 1.00 0.00 N ATOM 1068 CA PRO A 75 4.909 -12.318 7.428 1.00 0.00 C ATOM 1069 C PRO A 75 6.270 -12.954 7.699 1.00 0.00 C ATOM 1070 O PRO A 75 7.112 -13.032 6.799 1.00 0.00 O ATOM 1071 CB PRO A 75 3.926 -13.319 6.813 1.00 0.00 C ATOM 1072 CG PRO A 75 3.868 -12.951 5.328 1.00 0.00 C ATOM 1073 CD PRO A 75 4.290 -11.485 5.262 1.00 0.00 C ATOM 0 HA PRO A 75 4.530 -11.968 8.388 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.267 -14.345 6.953 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.943 -13.244 7.278 1.00 0.00 H new ATOM 0 HG2 PRO A 75 4.536 -13.580 4.740 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.864 -13.090 4.927 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.895 -11.294 4.376 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.420 -10.832 5.201 1.00 0.00 H new ATOM 1081 N GLU A 76 6.466 -13.438 8.926 1.00 0.00 N ATOM 1082 CA GLU A 76 7.773 -13.918 9.370 1.00 0.00 C ATOM 1083 C GLU A 76 8.316 -15.023 8.458 1.00 0.00 C ATOM 1084 O GLU A 76 9.514 -15.049 8.164 1.00 0.00 O ATOM 1085 CB GLU A 76 7.766 -14.338 10.854 1.00 0.00 C ATOM 1086 CG GLU A 76 6.936 -15.591 11.187 1.00 0.00 C ATOM 1087 CD GLU A 76 7.257 -16.175 12.566 1.00 0.00 C ATOM 1088 OE1 GLU A 76 8.415 -16.606 12.768 1.00 0.00 O ATOM 1089 OE2 GLU A 76 6.334 -16.320 13.404 1.00 0.00 O ATOM 0 H GLU A 76 5.733 -13.508 9.632 1.00 0.00 H new ATOM 0 HA GLU A 76 8.462 -13.077 9.290 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.795 -14.512 11.169 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.388 -13.505 11.447 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.876 -15.340 11.143 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.115 -16.351 10.426 1.00 0.00 H new ATOM 1096 N GLU A 77 7.453 -15.914 7.960 1.00 0.00 N ATOM 1097 CA GLU A 77 7.873 -17.030 7.121 1.00 0.00 C ATOM 1098 C GLU A 77 8.426 -16.511 5.792 1.00 0.00 C ATOM 1099 O GLU A 77 9.400 -17.060 5.271 1.00 0.00 O ATOM 1100 CB GLU A 77 6.696 -17.985 6.851 1.00 0.00 C ATOM 1101 CG GLU A 77 6.923 -19.431 7.307 1.00 0.00 C ATOM 1102 CD GLU A 77 7.915 -20.187 6.425 1.00 0.00 C ATOM 1103 OE1 GLU A 77 9.133 -19.946 6.507 1.00 0.00 O ATOM 1104 OE2 GLU A 77 7.462 -21.024 5.607 1.00 0.00 O ATOM 0 H GLU A 77 6.448 -15.878 8.129 1.00 0.00 H new ATOM 0 HA GLU A 77 8.653 -17.577 7.650 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.809 -17.596 7.351 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.485 -17.985 5.782 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.287 -19.429 8.334 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.970 -19.960 7.308 1.00 0.00 H new ATOM 1111 N ALA A 78 7.809 -15.469 5.230 1.00 0.00 N ATOM 1112 CA ALA A 78 8.164 -14.927 3.926 1.00 0.00 C ATOM 1113 C ALA A 78 9.388 -14.010 3.987 1.00 0.00 C ATOM 1114 O ALA A 78 9.986 -13.734 2.952 1.00 0.00 O ATOM 1115 CB ALA A 78 6.979 -14.132 3.387 1.00 0.00 C ATOM 0 H ALA A 78 7.038 -14.974 5.679 1.00 0.00 H new ATOM 0 HA ALA A 78 8.411 -15.765 3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.231 -13.720 2.410 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.114 -14.788 3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.744 -13.319 4.074 1.00 0.00 H new ATOM 1121 N LEU A 79 9.742 -13.512 5.176 1.00 0.00 N ATOM 1122 CA LEU A 79 10.685 -12.417 5.386 1.00 0.00 C ATOM 1123 C LEU A 79 11.974 -12.587 4.575 1.00 0.00 C ATOM 1124 O LEU A 79 12.355 -11.699 3.810 1.00 0.00 O ATOM 1125 CB LEU A 79 10.938 -12.293 6.898 1.00 0.00 C ATOM 1126 CG LEU A 79 11.870 -11.142 7.321 1.00 0.00 C ATOM 1127 CD1 LEU A 79 11.336 -9.762 6.917 1.00 0.00 C ATOM 1128 CD2 LEU A 79 12.001 -11.173 8.846 1.00 0.00 C ATOM 0 H LEU A 79 9.363 -13.877 6.050 1.00 0.00 H new ATOM 0 HA LEU A 79 10.256 -11.486 5.016 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.979 -12.164 7.400 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.362 -13.231 7.256 1.00 0.00 H new ATOM 0 HG LEU A 79 12.825 -11.287 6.817 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.035 -8.992 7.242 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.225 -9.718 5.834 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.367 -9.594 7.388 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.657 -10.366 9.171 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.018 -11.045 9.298 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.421 -12.130 9.156 1.00 0.00 H new ATOM 1140 N ASP A 80 12.641 -13.734 4.705 1.00 0.00 N ATOM 1141 CA ASP A 80 13.927 -13.958 4.048 1.00 0.00 C ATOM 1142 C ASP A 80 13.799 -14.216 2.544 1.00 0.00 C ATOM 1143 O ASP A 80 14.718 -13.887 1.789 1.00 0.00 O ATOM 1144 CB ASP A 80 14.657 -15.135 4.703 1.00 0.00 C ATOM 1145 CG ASP A 80 16.161 -14.904 4.726 1.00 0.00 C ATOM 1146 OD1 ASP A 80 16.599 -13.835 5.204 1.00 0.00 O ATOM 1147 OD2 ASP A 80 16.917 -15.822 4.328 1.00 0.00 O ATOM 0 H ASP A 80 12.311 -14.523 5.260 1.00 0.00 H new ATOM 0 HA ASP A 80 14.499 -13.038 4.171 1.00 0.00 H new ATOM 0 HB2 ASP A 80 14.292 -15.272 5.721 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.435 -16.053 4.158 1.00 0.00 H new ATOM 1152 N ARG A 81 12.667 -14.775 2.096 1.00 0.00 N ATOM 1153 CA ARG A 81 12.294 -14.898 0.684 1.00 0.00 C ATOM 1154 C ARG A 81 12.184 -13.516 0.063 1.00 0.00 C ATOM 1155 O ARG A 81 12.662 -13.297 -1.046 1.00 0.00 O ATOM 1156 CB ARG A 81 10.942 -15.633 0.535 1.00 0.00 C ATOM 1157 CG ARG A 81 11.076 -17.002 -0.138 1.00 0.00 C ATOM 1158 CD ARG A 81 9.702 -17.684 -0.157 1.00 0.00 C ATOM 1159 NE ARG A 81 9.773 -19.071 -0.641 1.00 0.00 N ATOM 1160 CZ ARG A 81 9.950 -20.155 0.130 1.00 0.00 C ATOM 1161 NH1 ARG A 81 10.303 -20.054 1.404 1.00 0.00 N ATOM 1162 NH2 ARG A 81 9.775 -21.365 -0.378 1.00 0.00 N ATOM 0 H ARG A 81 11.966 -15.165 2.726 1.00 0.00 H new ATOM 0 HA ARG A 81 13.065 -15.475 0.174 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.494 -15.761 1.520 1.00 0.00 H new ATOM 0 HB3 ARG A 81 10.260 -15.013 -0.047 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.454 -16.887 -1.154 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.795 -17.618 0.402 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.280 -17.674 0.848 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.025 -17.114 -0.793 1.00 0.00 H new ATOM 0 HE ARG A 81 9.680 -19.221 -1.646 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.447 -19.135 1.822 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.430 -20.896 1.966 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.506 -21.474 -1.356 1.00 0.00 H new ATOM 0 HH22 ARG A 81 9.910 -22.189 0.208 1.00 0.00 H new ATOM 1176 N TYR A 82 11.537 -12.590 0.766 1.00 0.00 N ATOM 1177 CA TYR A 82 11.376 -11.222 0.312 1.00 0.00 C ATOM 1178 C TYR A 82 12.737 -10.535 0.208 1.00 0.00 C ATOM 1179 O TYR A 82 12.945 -9.773 -0.735 1.00 0.00 O ATOM 1180 CB TYR A 82 10.428 -10.466 1.258 1.00 0.00 C ATOM 1181 CG TYR A 82 8.966 -10.564 0.869 1.00 0.00 C ATOM 1182 CD1 TYR A 82 8.314 -11.812 0.834 1.00 0.00 C ATOM 1183 CD2 TYR A 82 8.248 -9.398 0.547 1.00 0.00 C ATOM 1184 CE1 TYR A 82 6.948 -11.894 0.525 1.00 0.00 C ATOM 1185 CE2 TYR A 82 6.891 -9.482 0.200 1.00 0.00 C ATOM 1186 CZ TYR A 82 6.225 -10.722 0.226 1.00 0.00 C ATOM 1187 OH TYR A 82 4.886 -10.779 0.021 1.00 0.00 O ATOM 0 H TYR A 82 11.108 -12.775 1.673 1.00 0.00 H new ATOM 0 HA TYR A 82 10.930 -11.220 -0.683 1.00 0.00 H new ATOM 0 HB2 TYR A 82 10.552 -10.856 2.268 1.00 0.00 H new ATOM 0 HB3 TYR A 82 10.718 -9.415 1.284 1.00 0.00 H new ATOM 0 HD1 TYR A 82 8.870 -12.713 1.047 1.00 0.00 H new ATOM 0 HD2 TYR A 82 8.742 -8.438 0.567 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.452 -12.853 0.516 1.00 0.00 H new ATOM 0 HE2 TYR A 82 6.354 -8.590 -0.089 1.00 0.00 H new ATOM 0 HH TYR A 82 4.505 -11.512 0.548 1.00 0.00 H new ATOM 1197 N ARG A 83 13.655 -10.796 1.143 1.00 0.00 N ATOM 1198 CA ARG A 83 14.973 -10.164 1.180 1.00 0.00 C ATOM 1199 C ARG A 83 15.887 -10.577 0.027 1.00 0.00 C ATOM 1200 O ARG A 83 16.739 -9.787 -0.383 1.00 0.00 O ATOM 1201 CB ARG A 83 15.657 -10.501 2.509 1.00 0.00 C ATOM 1202 CG ARG A 83 15.172 -9.604 3.657 1.00 0.00 C ATOM 1203 CD ARG A 83 16.259 -9.486 4.724 1.00 0.00 C ATOM 1204 NE ARG A 83 17.407 -8.731 4.205 1.00 0.00 N ATOM 1205 CZ ARG A 83 18.603 -8.618 4.777 1.00 0.00 C ATOM 1206 NH1 ARG A 83 18.852 -9.122 5.982 1.00 0.00 N ATOM 1207 NH2 ARG A 83 19.547 -7.988 4.094 1.00 0.00 N ATOM 0 H ARG A 83 13.501 -11.459 1.902 1.00 0.00 H new ATOM 0 HA ARG A 83 14.807 -9.092 1.078 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.465 -11.544 2.760 1.00 0.00 H new ATOM 0 HB3 ARG A 83 16.736 -10.393 2.398 1.00 0.00 H new ATOM 0 HG2 ARG A 83 14.918 -8.616 3.274 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.264 -10.019 4.095 1.00 0.00 H new ATOM 0 HD2 ARG A 83 15.858 -8.989 5.607 1.00 0.00 H new ATOM 0 HD3 ARG A 83 16.580 -10.480 5.036 1.00 0.00 H new ATOM 0 HE ARG A 83 17.274 -8.245 3.318 1.00 0.00 H new ATOM 0 HH11 ARG A 83 18.116 -9.610 6.492 1.00 0.00 H new ATOM 0 HH12 ARG A 83 19.779 -9.020 6.396 1.00 0.00 H new ATOM 0 HH21 ARG A 83 19.342 -7.613 3.168 1.00 0.00 H new ATOM 0 HH22 ARG A 83 20.479 -7.878 4.494 1.00 0.00 H new ATOM 1221 N ARG A 84 15.767 -11.810 -0.473 1.00 0.00 N ATOM 1222 CA ARG A 84 16.652 -12.335 -1.521 1.00 0.00 C ATOM 1223 C ARG A 84 16.218 -11.950 -2.941 1.00 0.00 C ATOM 1224 O ARG A 84 16.721 -12.533 -3.902 1.00 0.00 O ATOM 1225 CB ARG A 84 16.843 -13.852 -1.352 1.00 0.00 C ATOM 1226 CG ARG A 84 15.540 -14.644 -1.489 1.00 0.00 C ATOM 1227 CD ARG A 84 15.782 -16.146 -1.341 1.00 0.00 C ATOM 1228 NE ARG A 84 14.702 -16.910 -1.986 1.00 0.00 N ATOM 1229 CZ ARG A 84 14.309 -18.154 -1.699 1.00 0.00 C ATOM 1230 NH1 ARG A 84 14.870 -18.856 -0.717 1.00 0.00 N ATOM 1231 NH2 ARG A 84 13.315 -18.671 -2.411 1.00 0.00 N ATOM 0 H ARG A 84 15.056 -12.473 -0.165 1.00 0.00 H new ATOM 0 HA ARG A 84 17.621 -11.854 -1.391 1.00 0.00 H new ATOM 0 HB2 ARG A 84 17.556 -14.207 -2.096 1.00 0.00 H new ATOM 0 HB3 ARG A 84 17.279 -14.050 -0.373 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.829 -14.312 -0.732 1.00 0.00 H new ATOM 0 HG3 ARG A 84 15.089 -14.441 -2.460 1.00 0.00 H new ATOM 0 HD2 ARG A 84 16.740 -16.411 -1.788 1.00 0.00 H new ATOM 0 HD3 ARG A 84 15.840 -16.408 -0.285 1.00 0.00 H new ATOM 0 HE ARG A 84 14.197 -16.437 -2.736 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.620 -18.446 -0.161 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.549 -19.804 -0.520 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.877 -18.121 -3.150 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.989 -19.618 -2.219 1.00 0.00 H new ATOM 1245 N ASP A 85 15.252 -11.052 -3.110 1.00 0.00 N ATOM 1246 CA ASP A 85 14.630 -10.800 -4.403 1.00 0.00 C ATOM 1247 C ASP A 85 15.590 -10.152 -5.407 1.00 0.00 C ATOM 1248 O ASP A 85 16.633 -9.613 -5.023 1.00 0.00 O ATOM 1249 CB ASP A 85 13.386 -9.944 -4.174 1.00 0.00 C ATOM 1250 CG ASP A 85 12.441 -10.035 -5.354 1.00 0.00 C ATOM 1251 OD1 ASP A 85 11.800 -11.089 -5.519 1.00 0.00 O ATOM 1252 OD2 ASP A 85 12.382 -9.075 -6.152 1.00 0.00 O ATOM 0 H ASP A 85 14.879 -10.479 -2.353 1.00 0.00 H new ATOM 0 HA ASP A 85 14.349 -11.752 -4.853 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.876 -10.272 -3.268 1.00 0.00 H new ATOM 0 HB3 ASP A 85 13.678 -8.906 -4.017 1.00 0.00 H new ATOM 1257 N TYR A 86 15.254 -10.181 -6.703 1.00 0.00 N ATOM 1258 CA TYR A 86 16.021 -9.479 -7.729 1.00 0.00 C ATOM 1259 C TYR A 86 15.528 -8.039 -7.900 1.00 0.00 C ATOM 1260 O TYR A 86 16.342 -7.140 -8.107 1.00 0.00 O ATOM 1261 CB TYR A 86 15.980 -10.253 -9.052 1.00 0.00 C ATOM 1262 CG TYR A 86 17.057 -9.807 -10.026 1.00 0.00 C ATOM 1263 CD1 TYR A 86 16.896 -8.620 -10.764 1.00 0.00 C ATOM 1264 CD2 TYR A 86 18.237 -10.560 -10.168 1.00 0.00 C ATOM 1265 CE1 TYR A 86 17.915 -8.174 -11.622 1.00 0.00 C ATOM 1266 CE2 TYR A 86 19.249 -10.132 -11.046 1.00 0.00 C ATOM 1267 CZ TYR A 86 19.093 -8.933 -11.772 1.00 0.00 C ATOM 1268 OH TYR A 86 20.054 -8.531 -12.640 1.00 0.00 O ATOM 0 H TYR A 86 14.447 -10.690 -7.064 1.00 0.00 H new ATOM 0 HA TYR A 86 17.060 -9.425 -7.405 1.00 0.00 H new ATOM 0 HB2 TYR A 86 16.098 -11.317 -8.849 1.00 0.00 H new ATOM 0 HB3 TYR A 86 15.001 -10.123 -9.514 1.00 0.00 H new ATOM 0 HD1 TYR A 86 15.984 -8.049 -10.670 1.00 0.00 H new ATOM 0 HD2 TYR A 86 18.366 -11.470 -9.601 1.00 0.00 H new ATOM 0 HE1 TYR A 86 17.796 -7.249 -12.167 1.00 0.00 H new ATOM 0 HE2 TYR A 86 20.146 -10.722 -11.164 1.00 0.00 H new ATOM 0 HH TYR A 86 20.800 -9.167 -12.620 1.00 0.00 H new ATOM 1278 N PHE A 87 14.223 -7.784 -7.793 1.00 0.00 N ATOM 1279 CA PHE A 87 13.687 -6.430 -7.813 1.00 0.00 C ATOM 1280 C PHE A 87 13.815 -5.853 -6.405 1.00 0.00 C ATOM 1281 O PHE A 87 14.586 -4.912 -6.195 1.00 0.00 O ATOM 1282 CB PHE A 87 12.235 -6.386 -8.316 1.00 0.00 C ATOM 1283 CG PHE A 87 11.662 -4.978 -8.320 1.00 0.00 C ATOM 1284 CD1 PHE A 87 11.867 -4.136 -9.428 1.00 0.00 C ATOM 1285 CD2 PHE A 87 10.964 -4.482 -7.200 1.00 0.00 C ATOM 1286 CE1 PHE A 87 11.373 -2.821 -9.424 1.00 0.00 C ATOM 1287 CE2 PHE A 87 10.482 -3.160 -7.188 1.00 0.00 C ATOM 1288 CZ PHE A 87 10.687 -2.327 -8.302 1.00 0.00 C ATOM 0 H PHE A 87 13.514 -8.510 -7.691 1.00 0.00 H new ATOM 0 HA PHE A 87 14.257 -5.824 -8.517 1.00 0.00 H new ATOM 0 HB2 PHE A 87 12.191 -6.795 -9.325 1.00 0.00 H new ATOM 0 HB3 PHE A 87 11.616 -7.025 -7.686 1.00 0.00 H new ATOM 0 HD1 PHE A 87 12.408 -4.503 -10.288 1.00 0.00 H new ATOM 0 HD2 PHE A 87 10.798 -5.121 -6.345 1.00 0.00 H new ATOM 0 HE1 PHE A 87 11.521 -2.188 -10.286 1.00 0.00 H new ATOM 0 HE2 PHE A 87 9.955 -2.785 -6.323 1.00 0.00 H new ATOM 0 HZ PHE A 87 10.319 -1.312 -8.295 1.00 0.00 H new ATOM 1298 N TRP A 88 13.077 -6.410 -5.444 1.00 0.00 N ATOM 1299 CA TRP A 88 12.798 -5.796 -4.149 1.00 0.00 C ATOM 1300 C TRP A 88 14.025 -5.683 -3.228 1.00 0.00 C ATOM 1301 O TRP A 88 13.927 -5.082 -2.163 1.00 0.00 O ATOM 1302 CB TRP A 88 11.686 -6.593 -3.455 1.00 0.00 C ATOM 1303 CG TRP A 88 10.312 -6.515 -4.058 1.00 0.00 C ATOM 1304 CD1 TRP A 88 9.761 -7.403 -4.922 1.00 0.00 C ATOM 1305 CD2 TRP A 88 9.281 -5.520 -3.776 1.00 0.00 C ATOM 1306 NE1 TRP A 88 8.468 -7.008 -5.201 1.00 0.00 N ATOM 1307 CE2 TRP A 88 8.123 -5.857 -4.533 1.00 0.00 C ATOM 1308 CE3 TRP A 88 9.192 -4.404 -2.918 1.00 0.00 C ATOM 1309 CZ2 TRP A 88 6.938 -5.123 -4.452 1.00 0.00 C ATOM 1310 CZ3 TRP A 88 7.987 -3.694 -2.791 1.00 0.00 C ATOM 1311 CH2 TRP A 88 6.860 -4.055 -3.548 1.00 0.00 C ATOM 0 H TRP A 88 12.645 -7.328 -5.550 1.00 0.00 H new ATOM 0 HA TRP A 88 12.486 -4.770 -4.343 1.00 0.00 H new ATOM 0 HB2 TRP A 88 11.986 -7.641 -3.430 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.622 -6.255 -2.421 1.00 0.00 H new ATOM 0 HD1 TRP A 88 10.253 -8.276 -5.326 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.842 -7.511 -5.829 1.00 0.00 H new ATOM 0 HE3 TRP A 88 10.059 -4.093 -2.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 6.094 -5.375 -5.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 7.926 -2.862 -2.105 1.00 0.00 H new ATOM 0 HH2 TRP A 88 5.935 -3.510 -3.433 1.00 0.00 H new ATOM 1322 N GLN A 89 15.187 -6.186 -3.642 1.00 0.00 N ATOM 1323 CA GLN A 89 16.499 -6.086 -2.978 1.00 0.00 C ATOM 1324 C GLN A 89 16.783 -4.688 -2.448 1.00 0.00 C ATOM 1325 O GLN A 89 17.080 -4.525 -1.263 1.00 0.00 O ATOM 1326 CB GLN A 89 17.688 -6.673 -3.736 1.00 0.00 C ATOM 1327 CG GLN A 89 17.360 -6.505 -5.174 1.00 0.00 C ATOM 1328 CD GLN A 89 18.524 -6.733 -6.116 1.00 0.00 C ATOM 1329 OE1 GLN A 89 18.967 -5.811 -6.789 1.00 0.00 O ATOM 1330 NE2 GLN A 89 19.011 -7.965 -6.191 1.00 0.00 N ATOM 0 H GLN A 89 15.248 -6.714 -4.513 1.00 0.00 H new ATOM 0 HA GLN A 89 16.392 -6.753 -2.122 1.00 0.00 H new ATOM 0 HB2 GLN A 89 18.612 -6.154 -3.480 1.00 0.00 H new ATOM 0 HB3 GLN A 89 17.833 -7.724 -3.486 1.00 0.00 H new ATOM 0 HG2 GLN A 89 16.558 -7.196 -5.434 1.00 0.00 H new ATOM 0 HG3 GLN A 89 16.975 -5.497 -5.330 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.614 -8.706 -5.613 1.00 0.00 H new ATOM 0 HE22 GLN A 89 19.782 -8.171 -6.826 1.00 0.00 H new ATOM 1339 N THR A 90 16.719 -3.705 -3.337 1.00 0.00 N ATOM 1340 CA THR A 90 16.919 -2.301 -3.024 1.00 0.00 C ATOM 1341 C THR A 90 16.017 -1.858 -1.873 1.00 0.00 C ATOM 1342 O THR A 90 16.460 -1.154 -0.965 1.00 0.00 O ATOM 1343 CB THR A 90 16.745 -1.454 -4.298 1.00 0.00 C ATOM 1344 OG1 THR A 90 16.880 -0.086 -3.966 1.00 0.00 O ATOM 1345 CG2 THR A 90 15.425 -1.692 -5.021 1.00 0.00 C ATOM 0 H THR A 90 16.521 -3.870 -4.324 1.00 0.00 H new ATOM 0 HA THR A 90 17.939 -2.147 -2.673 1.00 0.00 H new ATOM 0 HB THR A 90 17.524 -1.763 -4.994 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.772 0.459 -4.773 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.377 -1.060 -5.908 1.00 0.00 H new ATOM 0 HG22 THR A 90 15.356 -2.739 -5.317 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.597 -1.448 -4.356 1.00 0.00 H new ATOM 1353 N TYR A 91 14.761 -2.307 -1.853 1.00 0.00 N ATOM 1354 CA TYR A 91 13.806 -1.912 -0.837 1.00 0.00 C ATOM 1355 C TYR A 91 14.072 -2.567 0.526 1.00 0.00 C ATOM 1356 O TYR A 91 13.323 -2.317 1.462 1.00 0.00 O ATOM 1357 CB TYR A 91 12.374 -2.112 -1.346 1.00 0.00 C ATOM 1358 CG TYR A 91 12.027 -1.183 -2.493 1.00 0.00 C ATOM 1359 CD1 TYR A 91 11.602 0.127 -2.207 1.00 0.00 C ATOM 1360 CD2 TYR A 91 12.186 -1.590 -3.833 1.00 0.00 C ATOM 1361 CE1 TYR A 91 11.313 1.017 -3.257 1.00 0.00 C ATOM 1362 CE2 TYR A 91 11.916 -0.694 -4.882 1.00 0.00 C ATOM 1363 CZ TYR A 91 11.481 0.619 -4.601 1.00 0.00 C ATOM 1364 OH TYR A 91 11.235 1.501 -5.605 1.00 0.00 O ATOM 0 H TYR A 91 14.385 -2.955 -2.545 1.00 0.00 H new ATOM 0 HA TYR A 91 13.937 -0.846 -0.650 1.00 0.00 H new ATOM 0 HB2 TYR A 91 12.249 -3.145 -1.670 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.675 -1.948 -0.526 1.00 0.00 H new ATOM 0 HD1 TYR A 91 11.498 0.449 -1.182 1.00 0.00 H new ATOM 0 HD2 TYR A 91 12.517 -2.594 -4.055 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.960 2.013 -3.033 1.00 0.00 H new ATOM 0 HE2 TYR A 91 12.042 -1.011 -5.907 1.00 0.00 H new ATOM 0 HH TYR A 91 11.400 1.068 -6.469 1.00 0.00 H new ATOM 1374 N ALA A 92 15.146 -3.343 0.724 1.00 0.00 N ATOM 1375 CA ALA A 92 15.382 -4.068 1.963 1.00 0.00 C ATOM 1376 C ALA A 92 15.466 -3.137 3.164 1.00 0.00 C ATOM 1377 O ALA A 92 15.074 -3.545 4.261 1.00 0.00 O ATOM 1378 CB ALA A 92 16.639 -4.927 1.857 1.00 0.00 C ATOM 0 H ALA A 92 15.873 -3.481 0.022 1.00 0.00 H new ATOM 0 HA ALA A 92 14.525 -4.723 2.121 1.00 0.00 H new ATOM 0 HB1 ALA A 92 16.796 -5.460 2.795 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.521 -5.646 1.046 1.00 0.00 H new ATOM 0 HB3 ALA A 92 17.499 -4.289 1.654 1.00 0.00 H new ATOM 1384 N ALA A 93 15.860 -1.875 2.949 1.00 0.00 N ATOM 1385 CA ALA A 93 15.903 -0.875 3.997 1.00 0.00 C ATOM 1386 C ALA A 93 14.532 -0.582 4.627 1.00 0.00 C ATOM 1387 O ALA A 93 14.490 0.034 5.694 1.00 0.00 O ATOM 1388 CB ALA A 93 16.552 0.419 3.497 1.00 0.00 C ATOM 0 H ALA A 93 16.157 -1.529 2.037 1.00 0.00 H new ATOM 0 HA ALA A 93 16.519 -1.302 4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 93 16.571 1.152 4.304 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.571 0.212 3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 93 15.976 0.815 2.661 1.00 0.00 H new ATOM 1394 N TRP A 94 13.428 -1.042 4.032 1.00 0.00 N ATOM 1395 CA TRP A 94 12.080 -0.773 4.510 1.00 0.00 C ATOM 1396 C TRP A 94 11.318 -2.085 4.707 1.00 0.00 C ATOM 1397 O TRP A 94 10.093 -2.068 4.773 1.00 0.00 O ATOM 1398 CB TRP A 94 11.382 0.209 3.550 1.00 0.00 C ATOM 1399 CG TRP A 94 12.116 1.496 3.315 1.00 0.00 C ATOM 1400 CD1 TRP A 94 12.060 2.600 4.093 1.00 0.00 C ATOM 1401 CD2 TRP A 94 13.021 1.834 2.221 1.00 0.00 C ATOM 1402 NE1 TRP A 94 12.894 3.572 3.572 1.00 0.00 N ATOM 1403 CE2 TRP A 94 13.531 3.146 2.428 1.00 0.00 C ATOM 1404 CE3 TRP A 94 13.459 1.155 1.067 1.00 0.00 C ATOM 1405 CZ2 TRP A 94 14.464 3.732 1.557 1.00 0.00 C ATOM 1406 CZ3 TRP A 94 14.393 1.728 0.180 1.00 0.00 C ATOM 1407 CH2 TRP A 94 14.913 3.009 0.440 1.00 0.00 C ATOM 0 H TRP A 94 13.452 -1.620 3.192 1.00 0.00 H new ATOM 0 HA TRP A 94 12.110 -0.292 5.488 1.00 0.00 H new ATOM 0 HB2 TRP A 94 11.234 -0.288 2.591 1.00 0.00 H new ATOM 0 HB3 TRP A 94 10.393 0.439 3.946 1.00 0.00 H new ATOM 0 HD1 TRP A 94 11.458 2.706 4.983 1.00 0.00 H new ATOM 0 HE1 TRP A 94 13.022 4.495 3.986 1.00 0.00 H new ATOM 0 HE3 TRP A 94 13.069 0.170 0.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 14.833 4.730 1.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 14.709 1.184 -0.698 1.00 0.00 H new ATOM 0 HH2 TRP A 94 15.656 3.435 -0.218 1.00 0.00 H new ATOM 1418 N ILE A 95 12.001 -3.238 4.760 1.00 0.00 N ATOM 1419 CA ILE A 95 11.378 -4.540 4.998 1.00 0.00 C ATOM 1420 C ILE A 95 11.572 -4.880 6.469 1.00 0.00 C ATOM 1421 O ILE A 95 12.711 -4.994 6.927 1.00 0.00 O ATOM 1422 CB ILE A 95 11.942 -5.642 4.071 1.00 0.00 C ATOM 1423 CG1 ILE A 95 11.694 -5.254 2.606 1.00 0.00 C ATOM 1424 CG2 ILE A 95 11.288 -7.007 4.361 1.00 0.00 C ATOM 1425 CD1 ILE A 95 12.336 -6.174 1.577 1.00 0.00 C ATOM 0 H ILE A 95 13.012 -3.289 4.637 1.00 0.00 H new ATOM 0 HA ILE A 95 10.315 -4.487 4.762 1.00 0.00 H new ATOM 0 HB ILE A 95 13.012 -5.731 4.258 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.619 -5.231 2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 95 12.065 -4.241 2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 95 11.706 -7.760 3.693 1.00 0.00 H new ATOM 0 HG22 ILE A 95 11.483 -7.291 5.395 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.212 -6.936 4.200 1.00 0.00 H new ATOM 0 HD11 ILE A 95 12.103 -5.817 0.574 1.00 0.00 H new ATOM 0 HD12 ILE A 95 13.417 -6.180 1.718 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.948 -7.185 1.701 1.00 0.00 H new ATOM 1437 N GLN A 96 10.477 -5.102 7.189 1.00 0.00 N ATOM 1438 CA GLN A 96 10.448 -5.619 8.557 1.00 0.00 C ATOM 1439 C GLN A 96 9.410 -6.745 8.650 1.00 0.00 C ATOM 1440 O GLN A 96 8.621 -6.902 7.719 1.00 0.00 O ATOM 1441 CB GLN A 96 10.200 -4.479 9.564 1.00 0.00 C ATOM 1442 CG GLN A 96 9.147 -3.436 9.170 1.00 0.00 C ATOM 1443 CD GLN A 96 8.707 -2.597 10.370 1.00 0.00 C ATOM 1444 OE1 GLN A 96 7.518 -2.387 10.578 1.00 0.00 O ATOM 1445 NE2 GLN A 96 9.629 -2.096 11.177 1.00 0.00 N ATOM 0 H GLN A 96 9.544 -4.919 6.821 1.00 0.00 H new ATOM 0 HA GLN A 96 11.417 -6.045 8.819 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.903 -4.922 10.515 1.00 0.00 H new ATOM 0 HB3 GLN A 96 11.145 -3.963 9.735 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.553 -2.782 8.398 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.281 -3.938 8.739 1.00 0.00 H new ATOM 0 HE21 GLN A 96 10.617 -2.276 10.997 1.00 0.00 H new ATOM 0 HE22 GLN A 96 9.352 -1.530 11.979 1.00 0.00 H new ATOM 1454 N PRO A 97 9.408 -7.560 9.717 1.00 0.00 N ATOM 1455 CA PRO A 97 8.344 -8.531 9.951 1.00 0.00 C ATOM 1456 C PRO A 97 6.993 -7.851 10.237 1.00 0.00 C ATOM 1457 O PRO A 97 6.912 -6.622 10.329 1.00 0.00 O ATOM 1458 CB PRO A 97 8.829 -9.383 11.127 1.00 0.00 C ATOM 1459 CG PRO A 97 9.785 -8.464 11.881 1.00 0.00 C ATOM 1460 CD PRO A 97 10.409 -7.629 10.770 1.00 0.00 C ATOM 0 HA PRO A 97 8.157 -9.143 9.069 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.999 -9.700 11.759 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.332 -10.287 10.784 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.259 -7.842 12.606 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.537 -9.029 12.432 1.00 0.00 H new ATOM 0 HD2 PRO A 97 10.669 -6.633 11.128 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.329 -8.087 10.406 1.00 0.00 H new ATOM 1468 N MET A 98 5.934 -8.653 10.363 1.00 0.00 N ATOM 1469 CA MET A 98 4.583 -8.234 10.717 1.00 0.00 C ATOM 1470 C MET A 98 4.298 -8.528 12.198 1.00 0.00 C ATOM 1471 O MET A 98 4.990 -9.321 12.839 1.00 0.00 O ATOM 1472 CB MET A 98 3.557 -8.868 9.747 1.00 0.00 C ATOM 1473 CG MET A 98 2.896 -10.186 10.163 1.00 0.00 C ATOM 1474 SD MET A 98 1.305 -10.545 9.358 1.00 0.00 S ATOM 1475 CE MET A 98 1.690 -10.310 7.602 1.00 0.00 C ATOM 0 H MET A 98 6.002 -9.660 10.213 1.00 0.00 H new ATOM 0 HA MET A 98 4.488 -7.154 10.602 1.00 0.00 H new ATOM 0 HB2 MET A 98 2.767 -8.138 9.573 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.056 -9.031 8.792 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.585 -11.003 9.949 1.00 0.00 H new ATOM 0 HG3 MET A 98 2.744 -10.172 11.242 1.00 0.00 H new ATOM 0 HE1 MET A 98 0.803 -10.518 7.004 1.00 0.00 H new ATOM 0 HE2 MET A 98 2.008 -9.281 7.434 1.00 0.00 H new ATOM 0 HE3 MET A 98 2.491 -10.990 7.311 1.00 0.00 H new ATOM 1485 N GLU A 99 3.233 -7.933 12.735 1.00 0.00 N ATOM 1486 CA GLU A 99 2.770 -8.117 14.100 1.00 0.00 C ATOM 1487 C GLU A 99 1.242 -8.153 14.155 1.00 0.00 C ATOM 1488 O GLU A 99 0.554 -8.134 13.128 1.00 0.00 O ATOM 1489 CB GLU A 99 3.352 -6.987 14.983 1.00 0.00 C ATOM 1490 CG GLU A 99 4.396 -7.578 15.921 1.00 0.00 C ATOM 1491 CD GLU A 99 5.051 -6.516 16.798 1.00 0.00 C ATOM 1492 OE1 GLU A 99 5.817 -5.680 16.243 1.00 0.00 O ATOM 1493 OE2 GLU A 99 4.813 -6.507 18.019 1.00 0.00 O ATOM 0 H GLU A 99 2.650 -7.285 12.206 1.00 0.00 H new ATOM 0 HA GLU A 99 3.120 -9.076 14.483 1.00 0.00 H new ATOM 0 HB2 GLU A 99 3.801 -6.215 14.358 1.00 0.00 H new ATOM 0 HB3 GLU A 99 2.557 -6.510 15.557 1.00 0.00 H new ATOM 0 HG2 GLU A 99 3.928 -8.331 16.554 1.00 0.00 H new ATOM 0 HG3 GLU A 99 5.162 -8.086 15.335 1.00 0.00 H new ATOM 1500 N GLN A 100 0.732 -8.202 15.379 1.00 0.00 N ATOM 1501 CA GLN A 100 -0.625 -7.929 15.815 1.00 0.00 C ATOM 1502 C GLN A 100 -0.473 -7.116 17.086 1.00 0.00 C ATOM 1503 O GLN A 100 0.495 -7.401 17.833 1.00 0.00 O ATOM 1504 CB GLN A 100 -1.384 -9.217 16.150 1.00 0.00 C ATOM 1505 CG GLN A 100 -1.421 -10.240 15.014 1.00 0.00 C ATOM 1506 CD GLN A 100 -2.282 -11.432 15.408 1.00 0.00 C ATOM 1507 OE1 GLN A 100 -3.406 -11.558 14.930 1.00 0.00 O ATOM 1508 NE2 GLN A 100 -1.802 -12.285 16.298 1.00 0.00 N ATOM 0 H GLN A 100 1.322 -8.461 16.169 1.00 0.00 H new ATOM 0 HA GLN A 100 -1.184 -7.418 15.031 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.924 -9.679 17.024 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -2.407 -8.961 16.426 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.819 -9.777 14.111 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -0.410 -10.574 14.782 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -0.864 -12.153 16.677 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.370 -13.075 16.606 1.00 0.00 H new TER 1517 GLN A 100