USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 780 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: C 13 ASN : amide:sc= -1.23 K(o=-1.2,f=-2.2) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0 USER MOD Set 2.2: C 21 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 21 THR OG1 : rot 180:sc=-0.000489 USER MOD Set 4.1: A 13 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.059) USER MOD Set 4.2: A 19 THR OG1 : rot -63:sc= 0.0525 USER MOD Set 5.1: A 7 LYS NZ :NH3+ 173:sc= 0.711 (180deg=-0.146) USER MOD Set 5.2: C 29 GLN : amide:sc= 0.884 K(o=1.6,f=-5.2!) USER MOD Single : A 1 MET CE :methyl -124:sc= -0.04 (180deg=-0.267) USER MOD Single : A 1 MET N :NH3+ -109:sc= 0.0575 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0012 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.782 X(o=-0.78,f=-0.79) USER MOD Single : A 29 GLN : amide:sc= -1.1 X(o=-1.1,f=-1.3) USER MOD Single : A 35 ASN : amide:sc=-0.00359 K(o=-0.0036,f=-1.3) USER MOD Single : A 38 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.061) USER MOD Single : A 43 HIS : no HE2:sc= -1.77 K(o=-1.8,f=-3.6!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl -131:sc=-0.00405 (180deg=-0.141) USER MOD Single : C 1 MET N :NH3+ -98:sc= 0.0641 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= -1.01 X(o=-1,f=-1.1) USER MOD Single : C 35 ASN : amide:sc= -0.0343 K(o=-0.034,f=-1.7) USER MOD Single : C 38 LYS NZ :NH3+ 156:sc= -0.108 (180deg=-0.484) USER MOD Single : C 43 HIS : no HE2:sc= -1.19 K(o=-1.2,f=-1.9) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.254 10.113 -3.181 1.00 0.00 N ATOM 2 CA MET A 1 -7.277 9.019 -3.340 1.00 0.00 C ATOM 3 C MET A 1 -6.080 9.481 -4.162 1.00 0.00 C ATOM 4 O MET A 1 -6.205 10.380 -4.989 1.00 0.00 O ATOM 5 CB MET A 1 -7.911 7.817 -4.048 1.00 0.00 C ATOM 6 CG MET A 1 -7.043 6.560 -4.014 1.00 0.00 C ATOM 7 SD MET A 1 -7.470 5.398 -2.704 1.00 0.00 S ATOM 8 CE MET A 1 -8.918 4.759 -3.569 1.00 0.00 C ATOM 0 H1 MET A 1 -8.243 10.448 -2.196 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.003 10.897 -3.816 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.205 9.766 -3.418 1.00 0.00 H new ATOM 0 HA MET A 1 -6.952 8.728 -2.341 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.872 7.597 -3.583 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.112 8.082 -5.086 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.123 6.051 -4.975 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.001 6.856 -3.896 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.798 4.868 -2.935 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.065 5.317 -4.494 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.767 3.705 -3.801 1.00 0.00 H new ATOM 20 N LEU A 2 -4.927 8.860 -3.923 1.00 0.00 N ATOM 21 CA LEU A 2 -3.727 9.039 -4.712 1.00 0.00 C ATOM 22 C LEU A 2 -3.259 7.646 -5.125 1.00 0.00 C ATOM 23 O LEU A 2 -2.721 6.898 -4.310 1.00 0.00 O ATOM 24 CB LEU A 2 -2.717 9.830 -3.868 1.00 0.00 C ATOM 25 CG LEU A 2 -1.438 10.253 -4.596 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.387 9.147 -4.573 1.00 0.00 C ATOM 27 CD2 LEU A 2 -1.708 10.654 -6.042 1.00 0.00 C ATOM 0 H LEU A 2 -4.806 8.202 -3.153 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.877 9.616 -5.625 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.210 10.724 -3.487 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -2.440 9.226 -3.004 1.00 0.00 H new ATOM 0 HG LEU A 2 -1.057 11.121 -4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.507 9.483 -5.099 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.132 8.909 -3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.784 8.258 -5.063 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.773 10.946 -6.519 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -2.141 9.810 -6.579 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.404 11.493 -6.063 1.00 0.00 H new ATOM 39 N ILE A 3 -3.474 7.304 -6.401 1.00 0.00 N ATOM 40 CA ILE A 3 -3.201 5.984 -6.951 1.00 0.00 C ATOM 41 C ILE A 3 -1.872 5.991 -7.702 1.00 0.00 C ATOM 42 O ILE A 3 -1.538 6.966 -8.377 1.00 0.00 O ATOM 43 CB ILE A 3 -4.314 5.564 -7.925 1.00 0.00 C ATOM 44 CG1 ILE A 3 -5.683 5.439 -7.251 1.00 0.00 C ATOM 45 CG2 ILE A 3 -3.989 4.196 -8.531 1.00 0.00 C ATOM 46 CD1 ILE A 3 -6.412 6.772 -7.199 1.00 0.00 C ATOM 0 H ILE A 3 -3.851 7.956 -7.089 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.156 5.277 -6.123 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.361 6.347 -8.682 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.290 4.714 -7.793 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.556 5.055 -6.239 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.782 3.905 -9.220 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.043 4.252 -9.070 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.910 3.455 -7.735 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.379 6.639 -6.713 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.818 7.490 -6.634 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.563 7.144 -8.212 1.00 0.00 H new ATOM 58 N LEU A 4 -1.117 4.897 -7.580 1.00 0.00 N ATOM 59 CA LEU A 4 0.110 4.690 -8.327 1.00 0.00 C ATOM 60 C LEU A 4 0.502 3.212 -8.318 1.00 0.00 C ATOM 61 O LEU A 4 -0.049 2.426 -7.546 1.00 0.00 O ATOM 62 CB LEU A 4 1.222 5.597 -7.778 1.00 0.00 C ATOM 63 CG LEU A 4 1.246 5.785 -6.257 1.00 0.00 C ATOM 64 CD1 LEU A 4 1.655 4.508 -5.522 1.00 0.00 C ATOM 65 CD2 LEU A 4 2.262 6.882 -5.951 1.00 0.00 C ATOM 0 H LEU A 4 -1.349 4.127 -6.952 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.050 4.967 -9.369 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.183 5.188 -8.089 1.00 0.00 H new ATOM 0 HB3 LEU A 4 1.127 6.578 -8.244 1.00 0.00 H new ATOM 0 HG LEU A 4 0.244 6.046 -5.917 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.657 4.691 -4.448 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.946 3.713 -5.753 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.653 4.208 -5.841 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.308 7.045 -4.874 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.244 6.580 -6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.961 7.805 -6.446 1.00 0.00 H new ATOM 77 N THR A 5 1.457 2.825 -9.170 1.00 0.00 N ATOM 78 CA THR A 5 1.962 1.459 -9.193 1.00 0.00 C ATOM 79 C THR A 5 3.269 1.365 -8.421 1.00 0.00 C ATOM 80 O THR A 5 3.948 2.365 -8.191 1.00 0.00 O ATOM 81 CB THR A 5 2.233 0.954 -10.613 1.00 0.00 C ATOM 82 OG1 THR A 5 2.934 1.917 -11.363 1.00 0.00 O ATOM 83 CG2 THR A 5 0.958 0.563 -11.347 1.00 0.00 C ATOM 0 H THR A 5 1.893 3.445 -9.853 1.00 0.00 H new ATOM 0 HA THR A 5 1.185 0.844 -8.738 1.00 0.00 H new ATOM 0 HB THR A 5 2.845 0.058 -10.509 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.098 1.573 -12.266 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.208 0.212 -12.348 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.452 -0.232 -10.799 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.300 1.429 -11.419 1.00 0.00 H new ATOM 91 N ARG A 6 3.615 0.139 -8.022 1.00 0.00 N ATOM 92 CA ARG A 6 4.894 -0.173 -7.410 1.00 0.00 C ATOM 93 C ARG A 6 5.281 -1.595 -7.804 1.00 0.00 C ATOM 94 O ARG A 6 4.413 -2.386 -8.171 1.00 0.00 O ATOM 95 CB ARG A 6 4.763 -0.048 -5.891 1.00 0.00 C ATOM 96 CG ARG A 6 6.101 0.058 -5.148 1.00 0.00 C ATOM 97 CD ARG A 6 6.889 1.325 -5.511 1.00 0.00 C ATOM 98 NE ARG A 6 7.736 1.139 -6.697 1.00 0.00 N ATOM 99 CZ ARG A 6 7.684 1.864 -7.817 1.00 0.00 C ATOM 100 NH1 ARG A 6 6.787 2.833 -7.966 1.00 0.00 N ATOM 101 NH2 ARG A 6 8.537 1.612 -8.804 1.00 0.00 N ATOM 0 H ARG A 6 3.002 -0.670 -8.119 1.00 0.00 H new ATOM 0 HA ARG A 6 5.667 0.516 -7.750 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.163 0.832 -5.661 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.218 -0.913 -5.513 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.916 0.047 -4.074 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.708 -0.818 -5.376 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.192 2.144 -5.691 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.512 1.617 -4.665 1.00 0.00 H new ATOM 0 HE ARG A 6 8.426 0.388 -6.662 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.123 3.033 -7.218 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.762 3.377 -8.829 1.00 0.00 H new ATOM 0 HH21 ARG A 6 9.227 0.868 -8.704 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.502 2.163 -9.662 1.00 0.00 H new ATOM 115 N LYS A 7 6.571 -1.930 -7.735 1.00 0.00 N ATOM 116 CA LYS A 7 7.016 -3.291 -7.987 1.00 0.00 C ATOM 117 C LYS A 7 7.326 -3.978 -6.669 1.00 0.00 C ATOM 118 O LYS A 7 7.659 -3.323 -5.683 1.00 0.00 O ATOM 119 CB LYS A 7 8.290 -3.297 -8.830 1.00 0.00 C ATOM 120 CG LYS A 7 8.104 -2.909 -10.295 1.00 0.00 C ATOM 121 CD LYS A 7 7.097 -3.818 -10.988 1.00 0.00 C ATOM 122 CE LYS A 7 7.213 -3.666 -12.502 1.00 0.00 C ATOM 123 NZ LYS A 7 7.015 -2.266 -12.919 1.00 0.00 N ATOM 0 H LYS A 7 7.319 -1.276 -7.507 1.00 0.00 H new ATOM 0 HA LYS A 7 6.220 -3.812 -8.519 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.008 -2.613 -8.378 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.729 -4.294 -8.788 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.767 -1.875 -10.359 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.062 -2.964 -10.812 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.275 -4.855 -10.704 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.086 -3.568 -10.665 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.194 -4.009 -12.829 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.474 -4.301 -12.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.216 -2.175 -13.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.031 -1.985 -12.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.658 -1.650 -12.382 1.00 0.00 H new ATOM 137 N VAL A 8 7.216 -5.305 -6.656 1.00 0.00 N ATOM 138 CA VAL A 8 7.535 -6.094 -5.478 1.00 0.00 C ATOM 139 C VAL A 8 8.981 -5.838 -5.065 1.00 0.00 C ATOM 140 O VAL A 8 9.892 -5.891 -5.889 1.00 0.00 O ATOM 141 CB VAL A 8 7.280 -7.577 -5.751 1.00 0.00 C ATOM 142 CG1 VAL A 8 5.784 -7.810 -5.923 1.00 0.00 C ATOM 143 CG2 VAL A 8 7.983 -8.081 -7.013 1.00 0.00 C ATOM 0 H VAL A 8 6.906 -5.855 -7.457 1.00 0.00 H new ATOM 0 HA VAL A 8 6.889 -5.796 -4.652 1.00 0.00 H new ATOM 0 HB VAL A 8 7.680 -8.125 -4.898 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.600 -8.867 -6.118 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.262 -7.513 -5.013 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.418 -7.218 -6.761 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.764 -9.140 -7.153 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.627 -7.519 -7.877 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.059 -7.944 -6.909 1.00 0.00 H new ATOM 153 N GLY A 9 9.189 -5.559 -3.776 1.00 0.00 N ATOM 154 CA GLY A 9 10.516 -5.331 -3.231 1.00 0.00 C ATOM 155 C GLY A 9 10.881 -3.844 -3.158 1.00 0.00 C ATOM 156 O GLY A 9 12.018 -3.517 -2.822 1.00 0.00 O ATOM 0 H GLY A 9 8.440 -5.486 -3.088 1.00 0.00 H new ATOM 0 HA2 GLY A 9 10.573 -5.764 -2.232 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.251 -5.851 -3.846 1.00 0.00 H new ATOM 160 N GLU A 10 9.942 -2.941 -3.465 1.00 0.00 N ATOM 161 CA GLU A 10 10.199 -1.505 -3.406 1.00 0.00 C ATOM 162 C GLU A 10 9.325 -0.840 -2.340 1.00 0.00 C ATOM 163 O GLU A 10 8.539 -1.519 -1.676 1.00 0.00 O ATOM 164 CB GLU A 10 9.993 -0.877 -4.784 1.00 0.00 C ATOM 165 CG GLU A 10 10.985 -1.476 -5.784 1.00 0.00 C ATOM 166 CD GLU A 10 10.940 -0.747 -7.125 1.00 0.00 C ATOM 167 OE1 GLU A 10 9.817 -0.422 -7.572 1.00 0.00 O ATOM 168 OE2 GLU A 10 12.033 -0.517 -7.693 1.00 0.00 O ATOM 0 H GLU A 10 8.996 -3.185 -3.757 1.00 0.00 H new ATOM 0 HA GLU A 10 11.237 -1.342 -3.117 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.972 -1.051 -5.123 1.00 0.00 H new ATOM 0 HB3 GLU A 10 10.130 0.203 -4.725 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.993 -1.422 -5.374 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.758 -2.531 -5.935 1.00 0.00 H new ATOM 175 N SER A 11 9.458 0.481 -2.166 1.00 0.00 N ATOM 176 CA SER A 11 8.857 1.174 -1.034 1.00 0.00 C ATOM 177 C SER A 11 8.159 2.477 -1.414 1.00 0.00 C ATOM 178 O SER A 11 8.248 2.960 -2.544 1.00 0.00 O ATOM 179 CB SER A 11 9.940 1.451 0.010 1.00 0.00 C ATOM 180 OG SER A 11 10.521 0.243 0.454 1.00 0.00 O ATOM 0 H SER A 11 9.979 1.087 -2.800 1.00 0.00 H new ATOM 0 HA SER A 11 8.082 0.521 -0.633 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.708 2.095 -0.417 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.509 1.986 0.856 1.00 0.00 H new ATOM 0 HG SER A 11 11.213 0.438 1.120 1.00 0.00 H new ATOM 186 N ILE A 12 7.453 3.035 -0.426 1.00 0.00 N ATOM 187 CA ILE A 12 6.551 4.176 -0.520 1.00 0.00 C ATOM 188 C ILE A 12 6.536 4.834 0.862 1.00 0.00 C ATOM 189 O ILE A 12 6.892 4.186 1.843 1.00 0.00 O ATOM 190 CB ILE A 12 5.150 3.677 -0.925 1.00 0.00 C ATOM 191 CG1 ILE A 12 5.192 3.128 -2.358 1.00 0.00 C ATOM 192 CG2 ILE A 12 4.094 4.783 -0.808 1.00 0.00 C ATOM 193 CD1 ILE A 12 3.804 2.765 -2.885 1.00 0.00 C ATOM 0 H ILE A 12 7.504 2.672 0.526 1.00 0.00 H new ATOM 0 HA ILE A 12 6.871 4.898 -1.272 1.00 0.00 H new ATOM 0 HB ILE A 12 4.863 2.882 -0.237 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.644 3.871 -3.015 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.831 2.245 -2.387 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.121 4.390 -1.103 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.047 5.133 0.223 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.363 5.613 -1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.890 2.382 -3.902 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.360 2.002 -2.246 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.171 3.652 -2.884 1.00 0.00 H new ATOM 205 N ASN A 13 6.131 6.106 0.964 1.00 0.00 N ATOM 206 CA ASN A 13 6.160 6.828 2.234 1.00 0.00 C ATOM 207 C ASN A 13 4.900 7.665 2.429 1.00 0.00 C ATOM 208 O ASN A 13 4.244 8.065 1.466 1.00 0.00 O ATOM 209 CB ASN A 13 7.399 7.723 2.307 1.00 0.00 C ATOM 210 CG ASN A 13 8.646 6.964 2.743 1.00 0.00 C ATOM 211 OD1 ASN A 13 9.184 7.208 3.817 1.00 0.00 O ATOM 212 ND2 ASN A 13 9.114 6.037 1.916 1.00 0.00 N ATOM 0 H ASN A 13 5.779 6.654 0.179 1.00 0.00 H new ATOM 0 HA ASN A 13 6.202 6.090 3.035 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.575 8.173 1.330 1.00 0.00 H new ATOM 0 HB3 ASN A 13 7.212 8.539 3.005 1.00 0.00 H new ATOM 0 HD21 ASN A 13 9.946 5.503 2.167 1.00 0.00 H new ATOM 0 HD22 ASN A 13 8.642 5.859 1.030 1.00 0.00 H new ATOM 219 N ILE A 14 4.585 7.924 3.702 1.00 0.00 N ATOM 220 CA ILE A 14 3.415 8.679 4.129 1.00 0.00 C ATOM 221 C ILE A 14 3.807 9.565 5.309 1.00 0.00 C ATOM 222 O ILE A 14 4.603 9.159 6.159 1.00 0.00 O ATOM 223 CB ILE A 14 2.288 7.714 4.531 1.00 0.00 C ATOM 224 CG1 ILE A 14 1.918 6.820 3.338 1.00 0.00 C ATOM 225 CG2 ILE A 14 1.062 8.494 5.017 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.801 5.831 3.681 1.00 0.00 C ATOM 0 H ILE A 14 5.157 7.602 4.483 1.00 0.00 H new ATOM 0 HA ILE A 14 3.054 9.303 3.311 1.00 0.00 H new ATOM 0 HB ILE A 14 2.637 7.084 5.349 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.604 7.445 2.502 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.800 6.270 3.011 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.274 7.795 5.297 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.335 9.099 5.882 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.704 9.143 4.218 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.574 5.221 2.807 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.124 5.187 4.499 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.091 6.380 3.982 1.00 0.00 H new ATOM 238 N GLY A 15 3.246 10.776 5.360 1.00 0.00 N ATOM 239 CA GLY A 15 3.571 11.728 6.408 1.00 0.00 C ATOM 240 C GLY A 15 5.073 11.968 6.441 1.00 0.00 C ATOM 241 O GLY A 15 5.711 12.101 5.395 1.00 0.00 O ATOM 0 H GLY A 15 2.563 11.115 4.682 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.047 12.668 6.233 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.233 11.350 7.373 1.00 0.00 H new ATOM 245 N ASP A 16 5.639 12.022 7.647 1.00 0.00 N ATOM 246 CA ASP A 16 7.071 12.161 7.846 1.00 0.00 C ATOM 247 C ASP A 16 7.557 11.191 8.921 1.00 0.00 C ATOM 248 O ASP A 16 8.666 11.334 9.431 1.00 0.00 O ATOM 249 CB ASP A 16 7.417 13.616 8.172 1.00 0.00 C ATOM 250 CG ASP A 16 6.824 14.093 9.498 1.00 0.00 C ATOM 251 OD1 ASP A 16 5.579 14.166 9.589 1.00 0.00 O ATOM 252 OD2 ASP A 16 7.626 14.378 10.416 1.00 0.00 O ATOM 0 H ASP A 16 5.107 11.970 8.516 1.00 0.00 H new ATOM 0 HA ASP A 16 7.593 11.901 6.925 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.501 13.726 8.205 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.056 14.258 7.368 1.00 0.00 H new ATOM 257 N ASP A 17 6.725 10.200 9.270 1.00 0.00 N ATOM 258 CA ASP A 17 7.055 9.181 10.258 1.00 0.00 C ATOM 259 C ASP A 17 6.556 7.800 9.829 1.00 0.00 C ATOM 260 O ASP A 17 6.621 6.866 10.627 1.00 0.00 O ATOM 261 CB ASP A 17 6.459 9.536 11.627 1.00 0.00 C ATOM 262 CG ASP A 17 6.950 10.881 12.150 1.00 0.00 C ATOM 263 OD1 ASP A 17 8.138 10.954 12.535 1.00 0.00 O ATOM 264 OD2 ASP A 17 6.129 11.829 12.164 1.00 0.00 O ATOM 0 H ASP A 17 5.795 10.088 8.866 1.00 0.00 H new ATOM 0 HA ASP A 17 8.142 9.149 10.335 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.372 9.555 11.552 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.716 8.756 12.344 1.00 0.00 H new ATOM 269 N ILE A 18 6.059 7.646 8.591 1.00 0.00 N ATOM 270 CA ILE A 18 5.539 6.358 8.146 1.00 0.00 C ATOM 271 C ILE A 18 6.153 5.959 6.808 1.00 0.00 C ATOM 272 O ILE A 18 6.438 6.805 5.962 1.00 0.00 O ATOM 273 CB ILE A 18 4.006 6.400 8.044 1.00 0.00 C ATOM 274 CG1 ILE A 18 3.365 6.821 9.376 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.465 5.021 7.659 1.00 0.00 C ATOM 276 CD1 ILE A 18 3.046 8.317 9.367 1.00 0.00 C ATOM 0 H ILE A 18 6.009 8.390 7.895 1.00 0.00 H new ATOM 0 HA ILE A 18 5.815 5.606 8.886 1.00 0.00 H new ATOM 0 HB ILE A 18 3.751 7.134 7.280 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.452 6.249 9.544 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.041 6.592 10.200 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.378 5.063 7.590 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.879 4.724 6.695 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.752 4.293 8.417 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.593 8.598 10.318 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.965 8.884 9.222 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.352 8.536 8.555 1.00 0.00 H new ATOM 288 N THR A 19 6.343 4.651 6.632 1.00 0.00 N ATOM 289 CA THR A 19 6.880 4.057 5.423 1.00 0.00 C ATOM 290 C THR A 19 6.054 2.820 5.090 1.00 0.00 C ATOM 291 O THR A 19 5.418 2.236 5.969 1.00 0.00 O ATOM 292 CB THR A 19 8.356 3.697 5.642 1.00 0.00 C ATOM 293 OG1 THR A 19 9.078 4.841 6.045 1.00 0.00 O ATOM 294 CG2 THR A 19 9.008 3.149 4.376 1.00 0.00 C ATOM 0 H THR A 19 6.119 3.963 7.351 1.00 0.00 H new ATOM 0 HA THR A 19 6.826 4.757 4.589 1.00 0.00 H new ATOM 0 HB THR A 19 8.382 2.927 6.413 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.053 5.512 5.331 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.052 2.908 4.579 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.483 2.248 4.057 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.956 3.898 3.586 1.00 0.00 H new ATOM 302 N ILE A 20 6.066 2.419 3.819 1.00 0.00 N ATOM 303 CA ILE A 20 5.299 1.292 3.318 1.00 0.00 C ATOM 304 C ILE A 20 6.190 0.502 2.369 1.00 0.00 C ATOM 305 O ILE A 20 7.032 1.079 1.681 1.00 0.00 O ATOM 306 CB ILE A 20 4.059 1.819 2.572 1.00 0.00 C ATOM 307 CG1 ILE A 20 3.161 2.698 3.454 1.00 0.00 C ATOM 308 CG2 ILE A 20 3.244 0.662 1.985 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.471 1.914 4.567 1.00 0.00 C ATOM 0 H ILE A 20 6.622 2.881 3.099 1.00 0.00 H new ATOM 0 HA ILE A 20 4.969 0.650 4.135 1.00 0.00 H new ATOM 0 HB ILE A 20 4.432 2.447 1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.761 3.494 3.895 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.405 3.177 2.831 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.373 1.058 1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.862 0.100 1.285 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.916 0.003 2.789 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.850 2.589 5.157 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.846 1.135 4.130 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.223 1.457 5.211 1.00 0.00 H new ATOM 321 N THR A 21 6.014 -0.820 2.327 1.00 0.00 N ATOM 322 CA THR A 21 6.776 -1.669 1.423 1.00 0.00 C ATOM 323 C THR A 21 5.867 -2.755 0.861 1.00 0.00 C ATOM 324 O THR A 21 4.973 -3.249 1.552 1.00 0.00 O ATOM 325 CB THR A 21 7.964 -2.288 2.175 1.00 0.00 C ATOM 326 OG1 THR A 21 8.644 -1.295 2.913 1.00 0.00 O ATOM 327 CG2 THR A 21 8.965 -2.919 1.211 1.00 0.00 C ATOM 0 H THR A 21 5.347 -1.323 2.912 1.00 0.00 H new ATOM 0 HA THR A 21 7.163 -1.075 0.595 1.00 0.00 H new ATOM 0 HB THR A 21 7.561 -3.055 2.837 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.398 -1.701 3.390 1.00 0.00 H new ATOM 0 HG21 THR A 21 9.793 -3.348 1.775 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.472 -3.704 0.637 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.345 -2.157 0.531 1.00 0.00 H new ATOM 335 N ILE A 22 6.097 -3.127 -0.395 1.00 0.00 N ATOM 336 CA ILE A 22 5.338 -4.155 -1.089 1.00 0.00 C ATOM 337 C ILE A 22 6.217 -5.398 -1.156 1.00 0.00 C ATOM 338 O ILE A 22 6.988 -5.580 -2.095 1.00 0.00 O ATOM 339 CB ILE A 22 4.875 -3.617 -2.454 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.311 -4.700 -3.376 1.00 0.00 C ATOM 341 CG2 ILE A 22 5.993 -2.886 -3.195 1.00 0.00 C ATOM 342 CD1 ILE A 22 3.245 -5.538 -2.684 1.00 0.00 C ATOM 0 H ILE A 22 6.832 -2.712 -0.968 1.00 0.00 H new ATOM 0 HA ILE A 22 4.422 -4.432 -0.568 1.00 0.00 H new ATOM 0 HB ILE A 22 4.074 -2.919 -2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.886 -4.234 -4.265 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.120 -5.348 -3.712 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.619 -2.524 -4.153 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.335 -2.041 -2.597 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.824 -3.570 -3.365 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.872 -6.294 -3.374 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.676 -6.026 -1.810 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.422 -4.895 -2.372 1.00 0.00 H new ATOM 354 N LEU A 23 6.102 -6.261 -0.142 1.00 0.00 N ATOM 355 CA LEU A 23 7.036 -7.357 0.049 1.00 0.00 C ATOM 356 C LEU A 23 6.941 -8.410 -1.055 1.00 0.00 C ATOM 357 O LEU A 23 7.926 -9.095 -1.331 1.00 0.00 O ATOM 358 CB LEU A 23 6.815 -8.000 1.422 1.00 0.00 C ATOM 359 CG LEU A 23 6.738 -6.977 2.564 1.00 0.00 C ATOM 360 CD1 LEU A 23 6.855 -7.707 3.892 1.00 0.00 C ATOM 361 CD2 LEU A 23 7.860 -5.948 2.510 1.00 0.00 C ATOM 0 H LEU A 23 5.363 -6.214 0.560 1.00 0.00 H new ATOM 0 HA LEU A 23 8.041 -6.938 -0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.893 -8.580 1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.627 -8.699 1.623 1.00 0.00 H new ATOM 0 HG LEU A 23 5.786 -6.457 2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.801 -6.987 4.709 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.040 -8.424 3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.808 -8.234 3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.755 -5.251 3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.822 -6.455 2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.807 -5.401 1.569 1.00 0.00 H new ATOM 373 N GLY A 24 5.774 -8.543 -1.691 1.00 0.00 N ATOM 374 CA GLY A 24 5.628 -9.475 -2.803 1.00 0.00 C ATOM 375 C GLY A 24 4.173 -9.794 -3.119 1.00 0.00 C ATOM 376 O GLY A 24 3.262 -9.249 -2.499 1.00 0.00 O ATOM 0 H GLY A 24 4.929 -8.023 -1.456 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.103 -9.054 -3.689 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.155 -10.400 -2.568 1.00 0.00 H new ATOM 380 N VAL A 25 3.961 -10.689 -4.087 1.00 0.00 N ATOM 381 CA VAL A 25 2.627 -11.134 -4.472 1.00 0.00 C ATOM 382 C VAL A 25 2.531 -12.655 -4.412 1.00 0.00 C ATOM 383 O VAL A 25 3.540 -13.362 -4.400 1.00 0.00 O ATOM 384 CB VAL A 25 2.260 -10.662 -5.887 1.00 0.00 C ATOM 385 CG1 VAL A 25 2.388 -9.146 -6.013 1.00 0.00 C ATOM 386 CG2 VAL A 25 3.120 -11.369 -6.934 1.00 0.00 C ATOM 0 H VAL A 25 4.712 -11.123 -4.624 1.00 0.00 H new ATOM 0 HA VAL A 25 1.925 -10.693 -3.764 1.00 0.00 H new ATOM 0 HB VAL A 25 1.218 -10.925 -6.068 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.122 -8.841 -7.025 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.718 -8.664 -5.301 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.415 -8.849 -5.803 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.843 -11.020 -7.929 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.171 -11.147 -6.751 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.960 -12.445 -6.870 1.00 0.00 H new ATOM 396 N SER A 26 1.288 -13.132 -4.380 1.00 0.00 N ATOM 397 CA SER A 26 0.936 -14.538 -4.374 1.00 0.00 C ATOM 398 C SER A 26 -0.432 -14.661 -5.037 1.00 0.00 C ATOM 399 O SER A 26 -1.415 -15.034 -4.397 1.00 0.00 O ATOM 400 CB SER A 26 0.909 -15.088 -2.946 1.00 0.00 C ATOM 401 OG SER A 26 2.183 -14.994 -2.341 1.00 0.00 O ATOM 0 H SER A 26 0.472 -12.521 -4.357 1.00 0.00 H new ATOM 0 HA SER A 26 1.677 -15.123 -4.919 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.180 -14.535 -2.354 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.585 -16.129 -2.960 1.00 0.00 H new ATOM 0 HG SER A 26 2.139 -15.350 -1.429 1.00 0.00 H new ATOM 407 N GLY A 27 -0.487 -14.334 -6.330 1.00 0.00 N ATOM 408 CA GLY A 27 -1.744 -14.330 -7.049 1.00 0.00 C ATOM 409 C GLY A 27 -2.563 -13.123 -6.610 1.00 0.00 C ATOM 410 O GLY A 27 -2.024 -12.025 -6.494 1.00 0.00 O ATOM 0 H GLY A 27 0.324 -14.071 -6.890 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.563 -14.292 -8.123 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.294 -15.250 -6.851 1.00 0.00 H new ATOM 414 N GLN A 28 -3.860 -13.320 -6.367 1.00 0.00 N ATOM 415 CA GLN A 28 -4.711 -12.239 -5.888 1.00 0.00 C ATOM 416 C GLN A 28 -4.287 -11.798 -4.492 1.00 0.00 C ATOM 417 O GLN A 28 -4.683 -10.717 -4.064 1.00 0.00 O ATOM 418 CB GLN A 28 -6.179 -12.676 -5.892 1.00 0.00 C ATOM 419 CG GLN A 28 -6.795 -12.550 -7.295 1.00 0.00 C ATOM 420 CD GLN A 28 -5.881 -13.085 -8.390 1.00 0.00 C ATOM 421 OE1 GLN A 28 -5.759 -14.294 -8.580 1.00 0.00 O ATOM 422 NE2 GLN A 28 -5.231 -12.178 -9.121 1.00 0.00 N ATOM 0 H GLN A 28 -4.338 -14.212 -6.494 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.600 -11.389 -6.561 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.254 -13.708 -5.551 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.744 -12.065 -5.188 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.741 -13.090 -7.321 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.020 -11.503 -7.495 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.359 -11.184 -8.932 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.606 -12.479 -9.869 1.00 0.00 H new ATOM 431 N GLN A 29 -3.493 -12.610 -3.779 1.00 0.00 N ATOM 432 CA GLN A 29 -3.002 -12.229 -2.471 1.00 0.00 C ATOM 433 C GLN A 29 -1.720 -11.417 -2.640 1.00 0.00 C ATOM 434 O GLN A 29 -0.981 -11.604 -3.609 1.00 0.00 O ATOM 435 CB GLN A 29 -2.731 -13.493 -1.653 1.00 0.00 C ATOM 436 CG GLN A 29 -2.723 -13.177 -0.154 1.00 0.00 C ATOM 437 CD GLN A 29 -4.102 -13.356 0.474 1.00 0.00 C ATOM 438 OE1 GLN A 29 -4.690 -12.407 0.985 1.00 0.00 O ATOM 439 NE2 GLN A 29 -4.622 -14.577 0.446 1.00 0.00 N ATOM 0 H GLN A 29 -3.185 -13.529 -4.095 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.741 -11.621 -1.949 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.494 -14.242 -1.868 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.772 -13.922 -1.944 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.008 -13.827 0.350 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.385 -12.152 -0.001 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.105 -15.342 0.013 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.539 -14.750 0.858 1.00 0.00 H new ATOM 448 N VAL A 30 -1.453 -10.509 -1.702 1.00 0.00 N ATOM 449 CA VAL A 30 -0.284 -9.650 -1.747 1.00 0.00 C ATOM 450 C VAL A 30 0.234 -9.484 -0.325 1.00 0.00 C ATOM 451 O VAL A 30 -0.559 -9.247 0.582 1.00 0.00 O ATOM 452 CB VAL A 30 -0.696 -8.296 -2.335 1.00 0.00 C ATOM 453 CG1 VAL A 30 0.514 -7.380 -2.490 1.00 0.00 C ATOM 454 CG2 VAL A 30 -1.340 -8.443 -3.714 1.00 0.00 C ATOM 0 H VAL A 30 -2.048 -10.353 -0.888 1.00 0.00 H new ATOM 0 HA VAL A 30 0.502 -10.079 -2.369 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.417 -7.869 -1.638 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.196 -6.425 -2.909 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.972 -7.214 -1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.240 -7.845 -3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.616 -7.459 -4.093 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.632 -8.910 -4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.232 -9.065 -3.635 1.00 0.00 H new ATOM 464 N ARG A 31 1.554 -9.604 -0.121 1.00 0.00 N ATOM 465 CA ARG A 31 2.142 -9.405 1.199 1.00 0.00 C ATOM 466 C ARG A 31 2.714 -7.999 1.249 1.00 0.00 C ATOM 467 O ARG A 31 3.480 -7.596 0.371 1.00 0.00 O ATOM 468 CB ARG A 31 3.213 -10.461 1.495 1.00 0.00 C ATOM 469 CG ARG A 31 3.454 -10.513 3.009 1.00 0.00 C ATOM 470 CD ARG A 31 4.631 -11.411 3.393 1.00 0.00 C ATOM 471 NE ARG A 31 4.510 -12.757 2.818 1.00 0.00 N ATOM 472 CZ ARG A 31 4.254 -13.870 3.516 1.00 0.00 C ATOM 473 NH1 ARG A 31 4.043 -13.830 4.828 1.00 0.00 N ATOM 474 NH2 ARG A 31 4.212 -15.044 2.890 1.00 0.00 N ATOM 0 H ARG A 31 2.226 -9.837 -0.852 1.00 0.00 H new ATOM 0 HA ARG A 31 1.379 -9.519 1.969 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.891 -11.437 1.131 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.139 -10.216 0.974 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.638 -9.504 3.378 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.552 -10.873 3.503 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.561 -10.954 3.053 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.691 -11.485 4.479 1.00 0.00 H new ATOM 0 HE ARG A 31 4.630 -12.851 1.809 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.074 -12.939 5.323 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.850 -14.691 5.340 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.374 -15.092 1.884 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.017 -15.896 3.416 1.00 0.00 H new ATOM 488 N ILE A 32 2.337 -7.254 2.287 1.00 0.00 N ATOM 489 CA ILE A 32 2.645 -5.838 2.388 1.00 0.00 C ATOM 490 C ILE A 32 3.201 -5.554 3.779 1.00 0.00 C ATOM 491 O ILE A 32 2.913 -6.287 4.724 1.00 0.00 O ATOM 492 CB ILE A 32 1.365 -5.024 2.130 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.501 -5.676 1.035 1.00 0.00 C ATOM 494 CG2 ILE A 32 1.735 -3.587 1.758 1.00 0.00 C ATOM 495 CD1 ILE A 32 -0.700 -4.815 0.637 1.00 0.00 C ATOM 0 H ILE A 32 1.809 -7.620 3.079 1.00 0.00 H new ATOM 0 HA ILE A 32 3.391 -5.553 1.646 1.00 0.00 H new ATOM 0 HB ILE A 32 0.770 -5.009 3.043 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.117 -5.862 0.155 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.147 -6.645 1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.827 -3.013 1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.294 -3.132 2.576 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.349 -3.591 0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.272 -5.325 -0.138 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.335 -4.651 1.508 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.350 -3.855 0.257 1.00 0.00 H new ATOM 507 N GLY A 33 3.994 -4.489 3.911 1.00 0.00 N ATOM 508 CA GLY A 33 4.599 -4.111 5.177 1.00 0.00 C ATOM 509 C GLY A 33 4.366 -2.632 5.444 1.00 0.00 C ATOM 510 O GLY A 33 4.198 -1.840 4.516 1.00 0.00 O ATOM 0 H GLY A 33 4.231 -3.867 3.138 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.173 -4.706 5.985 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.668 -4.321 5.155 1.00 0.00 H new ATOM 514 N ILE A 34 4.356 -2.267 6.723 1.00 0.00 N ATOM 515 CA ILE A 34 4.135 -0.900 7.165 1.00 0.00 C ATOM 516 C ILE A 34 5.128 -0.611 8.276 1.00 0.00 C ATOM 517 O ILE A 34 5.443 -1.496 9.069 1.00 0.00 O ATOM 518 CB ILE A 34 2.694 -0.747 7.677 1.00 0.00 C ATOM 519 CG1 ILE A 34 1.693 -1.151 6.595 1.00 0.00 C ATOM 520 CG2 ILE A 34 2.457 0.700 8.124 1.00 0.00 C ATOM 521 CD1 ILE A 34 0.265 -1.190 7.134 1.00 0.00 C ATOM 0 H ILE A 34 4.504 -2.924 7.489 1.00 0.00 H new ATOM 0 HA ILE A 34 4.277 -0.198 6.343 1.00 0.00 H new ATOM 0 HB ILE A 34 2.548 -1.408 8.531 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.750 -0.447 5.765 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.960 -2.131 6.200 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.435 0.806 8.487 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.154 0.953 8.923 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.614 1.372 7.280 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.417 -1.481 6.336 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.202 -1.914 7.947 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.011 -0.203 7.505 1.00 0.00 H new ATOM 533 N ASN A 35 5.624 0.624 8.340 1.00 0.00 N ATOM 534 CA ASN A 35 6.616 0.987 9.334 1.00 0.00 C ATOM 535 C ASN A 35 6.345 2.388 9.871 1.00 0.00 C ATOM 536 O ASN A 35 6.531 3.378 9.169 1.00 0.00 O ATOM 537 CB ASN A 35 8.003 0.878 8.699 1.00 0.00 C ATOM 538 CG ASN A 35 9.113 0.999 9.733 1.00 0.00 C ATOM 539 OD1 ASN A 35 8.886 0.830 10.928 1.00 0.00 O ATOM 540 ND2 ASN A 35 10.328 1.293 9.274 1.00 0.00 N ATOM 0 H ASN A 35 5.352 1.383 7.715 1.00 0.00 H new ATOM 0 HA ASN A 35 6.565 0.308 10.185 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.091 -0.078 8.182 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.120 1.659 7.948 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.110 1.385 9.923 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.477 1.426 8.274 1.00 0.00 H new ATOM 547 N ALA A 36 5.906 2.445 11.128 1.00 0.00 N ATOM 548 CA ALA A 36 5.597 3.674 11.837 1.00 0.00 C ATOM 549 C ALA A 36 5.803 3.424 13.328 1.00 0.00 C ATOM 550 O ALA A 36 5.797 2.265 13.754 1.00 0.00 O ATOM 551 CB ALA A 36 4.136 4.043 11.564 1.00 0.00 C ATOM 0 H ALA A 36 5.753 1.609 11.693 1.00 0.00 H new ATOM 0 HA ALA A 36 6.240 4.490 11.507 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.889 4.965 12.091 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.991 4.187 10.493 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.487 3.240 11.914 1.00 0.00 H new ATOM 557 N PRO A 37 5.985 4.474 14.139 1.00 0.00 N ATOM 558 CA PRO A 37 6.102 4.324 15.574 1.00 0.00 C ATOM 559 C PRO A 37 4.820 3.702 16.111 1.00 0.00 C ATOM 560 O PRO A 37 3.744 3.920 15.558 1.00 0.00 O ATOM 561 CB PRO A 37 6.322 5.740 16.112 1.00 0.00 C ATOM 562 CG PRO A 37 5.794 6.664 15.013 1.00 0.00 C ATOM 563 CD PRO A 37 6.079 5.867 13.746 1.00 0.00 C ATOM 0 HA PRO A 37 6.921 3.672 15.876 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.787 5.894 17.049 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.377 5.927 16.313 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.730 6.870 15.132 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.306 7.626 15.011 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.359 6.104 12.962 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.068 6.098 13.351 1.00 0.00 H new ATOM 571 N LYS A 38 4.921 2.925 17.195 1.00 0.00 N ATOM 572 CA LYS A 38 3.749 2.323 17.822 1.00 0.00 C ATOM 573 C LYS A 38 2.794 3.415 18.316 1.00 0.00 C ATOM 574 O LYS A 38 1.684 3.136 18.767 1.00 0.00 O ATOM 575 CB LYS A 38 4.204 1.412 18.966 1.00 0.00 C ATOM 576 CG LYS A 38 3.194 0.290 19.217 1.00 0.00 C ATOM 577 CD LYS A 38 3.422 -0.886 18.276 1.00 0.00 C ATOM 578 CE LYS A 38 2.315 -1.928 18.447 1.00 0.00 C ATOM 579 NZ LYS A 38 2.329 -2.548 19.789 1.00 0.00 N ATOM 0 H LYS A 38 5.804 2.701 17.653 1.00 0.00 H new ATOM 0 HA LYS A 38 3.206 1.720 17.094 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.177 0.982 18.727 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.330 2.001 19.875 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.274 -0.048 20.250 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.182 0.673 19.084 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.444 -0.535 17.244 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.392 -1.340 18.479 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.347 -1.457 18.277 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.429 -2.704 17.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.641 -3.327 19.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.280 -2.918 19.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.076 -1.836 20.503 1.00 0.00 H new ATOM 593 N ASP A 39 3.254 4.663 18.219 1.00 0.00 N ATOM 594 CA ASP A 39 2.525 5.878 18.539 1.00 0.00 C ATOM 595 C ASP A 39 1.295 6.073 17.650 1.00 0.00 C ATOM 596 O ASP A 39 0.462 6.936 17.926 1.00 0.00 O ATOM 597 CB ASP A 39 3.473 7.058 18.331 1.00 0.00 C ATOM 598 CG ASP A 39 2.978 8.312 19.049 1.00 0.00 C ATOM 599 OD1 ASP A 39 2.842 8.247 20.292 1.00 0.00 O ATOM 600 OD2 ASP A 39 2.747 9.326 18.355 1.00 0.00 O ATOM 0 H ASP A 39 4.202 4.858 17.895 1.00 0.00 H new ATOM 0 HA ASP A 39 2.175 5.808 19.569 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.466 6.797 18.697 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.571 7.263 17.265 1.00 0.00 H new ATOM 605 N VAL A 40 1.174 5.272 16.582 1.00 0.00 N ATOM 606 CA VAL A 40 0.049 5.322 15.654 1.00 0.00 C ATOM 607 C VAL A 40 -0.452 3.905 15.424 1.00 0.00 C ATOM 608 O VAL A 40 0.182 2.947 15.870 1.00 0.00 O ATOM 609 CB VAL A 40 0.447 6.010 14.336 1.00 0.00 C ATOM 610 CG1 VAL A 40 1.061 7.384 14.616 1.00 0.00 C ATOM 611 CG2 VAL A 40 1.447 5.184 13.534 1.00 0.00 C ATOM 0 H VAL A 40 1.867 4.564 16.340 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.756 5.919 16.082 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.466 6.114 13.749 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.337 7.858 13.674 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.335 8.008 15.137 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.949 7.266 15.237 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.698 5.710 12.613 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.351 5.034 14.124 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.008 4.216 13.291 1.00 0.00 H new ATOM 621 N ALA A 41 -1.579 3.750 14.732 1.00 0.00 N ATOM 622 CA ALA A 41 -2.203 2.444 14.558 1.00 0.00 C ATOM 623 C ALA A 41 -2.166 2.012 13.096 1.00 0.00 C ATOM 624 O ALA A 41 -2.154 2.855 12.202 1.00 0.00 O ATOM 625 CB ALA A 41 -3.640 2.537 15.069 1.00 0.00 C ATOM 0 H ALA A 41 -2.079 4.517 14.282 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.656 1.690 15.124 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.132 1.571 14.950 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.634 2.814 16.123 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.181 3.292 14.498 1.00 0.00 H new ATOM 631 N VAL A 42 -2.153 0.695 12.853 1.00 0.00 N ATOM 632 CA VAL A 42 -2.202 0.133 11.505 1.00 0.00 C ATOM 633 C VAL A 42 -2.952 -1.196 11.540 1.00 0.00 C ATOM 634 O VAL A 42 -2.605 -2.080 12.320 1.00 0.00 O ATOM 635 CB VAL A 42 -0.788 -0.062 10.918 1.00 0.00 C ATOM 636 CG1 VAL A 42 0.043 1.217 10.982 1.00 0.00 C ATOM 637 CG2 VAL A 42 0.022 -1.144 11.635 1.00 0.00 C ATOM 0 H VAL A 42 -2.108 -0.009 13.590 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.727 0.835 10.857 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.971 -0.360 9.886 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.030 1.031 10.558 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.454 2.003 10.414 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.148 1.531 12.020 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.005 -1.229 11.172 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.137 -0.876 12.685 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.499 -2.099 11.559 1.00 0.00 H new ATOM 647 N HIS A 43 -3.984 -1.359 10.704 1.00 0.00 N ATOM 648 CA HIS A 43 -4.719 -2.615 10.635 1.00 0.00 C ATOM 649 C HIS A 43 -5.441 -2.751 9.301 1.00 0.00 C ATOM 650 O HIS A 43 -5.642 -1.762 8.597 1.00 0.00 O ATOM 651 CB HIS A 43 -5.787 -2.711 11.737 1.00 0.00 C ATOM 652 CG HIS A 43 -5.418 -2.086 13.056 1.00 0.00 C ATOM 653 ND1 HIS A 43 -4.760 -2.733 14.102 1.00 0.00 N ATOM 654 CD2 HIS A 43 -5.684 -0.796 13.415 1.00 0.00 C ATOM 655 CE1 HIS A 43 -4.630 -1.808 15.065 1.00 0.00 C ATOM 656 NE2 HIS A 43 -5.175 -0.639 14.684 1.00 0.00 N ATOM 0 H HIS A 43 -4.324 -0.636 10.070 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.979 -3.406 10.760 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -6.701 -2.240 11.375 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.016 -3.763 11.905 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.445 -3.703 14.129 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -6.192 -0.049 12.823 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -4.152 -1.979 16.018 1.00 0.00 H new ATOM 664 N ARG A 44 -5.832 -3.978 8.959 1.00 0.00 N ATOM 665 CA ARG A 44 -6.675 -4.230 7.804 1.00 0.00 C ATOM 666 C ARG A 44 -8.038 -3.595 8.056 1.00 0.00 C ATOM 667 O ARG A 44 -8.449 -3.439 9.202 1.00 0.00 O ATOM 668 CB ARG A 44 -6.784 -5.744 7.607 1.00 0.00 C ATOM 669 CG ARG A 44 -5.445 -6.282 7.102 1.00 0.00 C ATOM 670 CD ARG A 44 -5.367 -7.796 7.281 1.00 0.00 C ATOM 671 NE ARG A 44 -5.177 -8.144 8.697 1.00 0.00 N ATOM 672 CZ ARG A 44 -5.822 -9.120 9.341 1.00 0.00 C ATOM 673 NH1 ARG A 44 -6.746 -9.853 8.721 1.00 0.00 N ATOM 674 NH2 ARG A 44 -5.543 -9.367 10.616 1.00 0.00 N ATOM 0 H ARG A 44 -5.572 -4.818 9.476 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.256 -3.795 6.897 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.053 -6.227 8.547 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.575 -5.974 6.893 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.320 -6.029 6.049 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.628 -5.805 7.644 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.280 -8.259 6.907 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.543 -8.195 6.690 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.500 -7.597 9.229 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.968 -9.672 7.742 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.231 -10.595 9.225 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.838 -8.812 11.101 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.034 -10.112 11.110 1.00 0.00 H new ATOM 688 N GLU A 45 -8.744 -3.231 6.984 1.00 0.00 N ATOM 689 CA GLU A 45 -10.024 -2.544 7.095 1.00 0.00 C ATOM 690 C GLU A 45 -11.040 -3.376 7.882 1.00 0.00 C ATOM 691 O GLU A 45 -11.918 -2.825 8.544 1.00 0.00 O ATOM 692 CB GLU A 45 -10.521 -2.218 5.684 1.00 0.00 C ATOM 693 CG GLU A 45 -11.599 -1.132 5.689 1.00 0.00 C ATOM 694 CD GLU A 45 -12.966 -1.626 6.145 1.00 0.00 C ATOM 695 OE1 GLU A 45 -13.359 -2.734 5.719 1.00 0.00 O ATOM 696 OE2 GLU A 45 -13.609 -0.884 6.918 1.00 0.00 O ATOM 0 H GLU A 45 -8.445 -3.404 6.024 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.897 -1.617 7.654 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.681 -1.891 5.071 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.920 -3.122 5.223 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.280 -0.319 6.342 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.689 -0.718 4.685 1.00 0.00 H new ATOM 703 N GLU A 46 -10.922 -4.704 7.815 1.00 0.00 N ATOM 704 CA GLU A 46 -11.812 -5.601 8.536 1.00 0.00 C ATOM 705 C GLU A 46 -11.559 -5.509 10.043 1.00 0.00 C ATOM 706 O GLU A 46 -12.501 -5.507 10.833 1.00 0.00 O ATOM 707 CB GLU A 46 -11.573 -7.030 8.040 1.00 0.00 C ATOM 708 CG GLU A 46 -12.624 -8.010 8.571 1.00 0.00 C ATOM 709 CD GLU A 46 -14.013 -7.706 8.011 1.00 0.00 C ATOM 710 OE1 GLU A 46 -14.141 -7.651 6.767 1.00 0.00 O ATOM 711 OE2 GLU A 46 -14.941 -7.530 8.831 1.00 0.00 O ATOM 0 H GLU A 46 -10.210 -5.180 7.262 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.848 -5.316 8.353 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.586 -7.041 6.950 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.582 -7.360 8.351 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.339 -9.028 8.306 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.651 -7.960 9.660 1.00 0.00 H new ATOM 718 N ILE A 47 -10.286 -5.428 10.444 1.00 0.00 N ATOM 719 CA ILE A 47 -9.913 -5.351 11.850 1.00 0.00 C ATOM 720 C ILE A 47 -10.214 -3.952 12.387 1.00 0.00 C ATOM 721 O ILE A 47 -10.531 -3.790 13.561 1.00 0.00 O ATOM 722 CB ILE A 47 -8.417 -5.675 11.988 1.00 0.00 C ATOM 723 CG1 ILE A 47 -8.150 -7.187 12.027 1.00 0.00 C ATOM 724 CG2 ILE A 47 -7.839 -5.112 13.289 1.00 0.00 C ATOM 725 CD1 ILE A 47 -8.742 -7.959 10.851 1.00 0.00 C ATOM 0 H ILE A 47 -9.493 -5.414 9.803 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.489 -6.072 12.430 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.947 -5.223 11.114 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.073 -7.354 12.051 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.556 -7.592 12.954 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.779 -5.360 13.354 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.960 -4.029 13.302 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.366 -5.546 14.139 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.508 -9.018 10.956 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.824 -7.827 10.836 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.318 -7.584 9.919 1.00 0.00 H new ATOM 737 N TYR A 48 -10.113 -2.939 11.527 1.00 0.00 N ATOM 738 CA TYR A 48 -10.305 -1.547 11.895 1.00 0.00 C ATOM 739 C TYR A 48 -11.688 -1.312 12.508 1.00 0.00 C ATOM 740 O TYR A 48 -11.838 -0.471 13.393 1.00 0.00 O ATOM 741 CB TYR A 48 -10.111 -0.720 10.624 1.00 0.00 C ATOM 742 CG TYR A 48 -10.259 0.777 10.773 1.00 0.00 C ATOM 743 CD1 TYR A 48 -9.261 1.533 11.399 1.00 0.00 C ATOM 744 CD2 TYR A 48 -11.401 1.412 10.263 1.00 0.00 C ATOM 745 CE1 TYR A 48 -9.377 2.925 11.478 1.00 0.00 C ATOM 746 CE2 TYR A 48 -11.516 2.805 10.316 1.00 0.00 C ATOM 747 CZ TYR A 48 -10.496 3.572 10.915 1.00 0.00 C ATOM 748 OH TYR A 48 -10.597 4.931 10.955 1.00 0.00 O ATOM 0 H TYR A 48 -9.892 -3.071 10.540 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.586 -1.252 12.659 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.117 -0.928 10.228 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.829 -1.063 9.879 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.398 1.040 11.822 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.195 0.823 9.828 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.609 3.504 11.970 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -12.385 3.292 9.899 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.430 5.210 10.521 1.00 0.00 H new ATOM 1601 N MET C 1 8.380 -2.895 11.683 1.00 0.00 N ATOM 1602 CA MET C 1 7.453 -3.199 10.582 1.00 0.00 C ATOM 1603 C MET C 1 6.269 -4.013 11.078 1.00 0.00 C ATOM 1604 O MET C 1 6.376 -4.726 12.071 1.00 0.00 O ATOM 1605 CB MET C 1 8.154 -3.996 9.481 1.00 0.00 C ATOM 1606 CG MET C 1 7.350 -4.106 8.188 1.00 0.00 C ATOM 1607 SD MET C 1 7.777 -2.888 6.937 1.00 0.00 S ATOM 1608 CE MET C 1 9.252 -3.776 6.401 1.00 0.00 C ATOM 0 H1 MET C 1 8.193 -1.936 12.040 1.00 0.00 H new ATOM 0 H2 MET C 1 8.244 -3.583 12.451 1.00 0.00 H new ATOM 0 H3 MET C 1 9.359 -2.951 11.338 1.00 0.00 H new ATOM 0 HA MET C 1 7.106 -2.246 10.184 1.00 0.00 H new ATOM 0 HB2 MET C 1 9.113 -3.527 9.262 1.00 0.00 H new ATOM 0 HB3 MET C 1 8.366 -4.999 9.851 1.00 0.00 H new ATOM 0 HG2 MET C 1 7.493 -5.103 7.770 1.00 0.00 H new ATOM 0 HG3 MET C 1 6.290 -4.009 8.425 1.00 0.00 H new ATOM 0 HE1 MET C 1 10.096 -3.087 6.358 1.00 0.00 H new ATOM 0 HE2 MET C 1 9.472 -4.576 7.108 1.00 0.00 H new ATOM 0 HE3 MET C 1 9.081 -4.202 5.413 1.00 0.00 H new ATOM 1620 N LEU C 2 5.140 -3.899 10.373 1.00 0.00 N ATOM 1621 CA LEU C 2 3.959 -4.708 10.586 1.00 0.00 C ATOM 1622 C LEU C 2 3.570 -5.270 9.217 1.00 0.00 C ATOM 1623 O LEU C 2 3.052 -4.548 8.365 1.00 0.00 O ATOM 1624 CB LEU C 2 2.894 -3.831 11.253 1.00 0.00 C ATOM 1625 CG LEU C 2 1.607 -4.559 11.660 1.00 0.00 C ATOM 1626 CD1 LEU C 2 0.649 -4.691 10.485 1.00 0.00 C ATOM 1627 CD2 LEU C 2 1.891 -5.943 12.238 1.00 0.00 C ATOM 0 H LEU C 2 5.030 -3.220 9.620 1.00 0.00 H new ATOM 0 HA LEU C 2 4.106 -5.554 11.258 1.00 0.00 H new ATOM 0 HB2 LEU C 2 3.329 -3.372 12.141 1.00 0.00 H new ATOM 0 HB3 LEU C 2 2.634 -3.022 10.571 1.00 0.00 H new ATOM 0 HG LEU C 2 1.142 -3.949 12.435 1.00 0.00 H new ATOM 0 HD11 LEU C 2 -0.253 -5.211 10.807 1.00 0.00 H new ATOM 0 HD12 LEU C 2 0.384 -3.699 10.118 1.00 0.00 H new ATOM 0 HD13 LEU C 2 1.129 -5.257 9.686 1.00 0.00 H new ATOM 0 HD21 LEU C 2 0.951 -6.422 12.513 1.00 0.00 H new ATOM 0 HD22 LEU C 2 2.404 -6.550 11.492 1.00 0.00 H new ATOM 0 HD23 LEU C 2 2.521 -5.846 13.122 1.00 0.00 H new ATOM 1639 N ILE C 3 3.829 -6.565 9.022 1.00 0.00 N ATOM 1640 CA ILE C 3 3.611 -7.256 7.758 1.00 0.00 C ATOM 1641 C ILE C 3 2.316 -8.053 7.835 1.00 0.00 C ATOM 1642 O ILE C 3 1.993 -8.620 8.878 1.00 0.00 O ATOM 1643 CB ILE C 3 4.773 -8.221 7.466 1.00 0.00 C ATOM 1644 CG1 ILE C 3 6.120 -7.509 7.292 1.00 0.00 C ATOM 1645 CG2 ILE C 3 4.492 -8.974 6.166 1.00 0.00 C ATOM 1646 CD1 ILE C 3 6.801 -7.278 8.634 1.00 0.00 C ATOM 0 H ILE C 3 4.203 -7.170 9.754 1.00 0.00 H new ATOM 0 HA ILE C 3 3.551 -6.515 6.961 1.00 0.00 H new ATOM 0 HB ILE C 3 4.841 -8.887 8.327 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.769 -8.105 6.650 1.00 0.00 H new ATOM 0 HG13 ILE C 3 5.967 -6.554 6.790 1.00 0.00 H new ATOM 0 HG21 ILE C 3 5.314 -9.658 5.957 1.00 0.00 H new ATOM 0 HG22 ILE C 3 3.566 -9.539 6.266 1.00 0.00 H new ATOM 0 HG23 ILE C 3 4.396 -8.262 5.347 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.753 -6.772 8.476 1.00 0.00 H new ATOM 0 HD12 ILE C 3 6.162 -6.661 9.265 1.00 0.00 H new ATOM 0 HD13 ILE C 3 6.976 -8.236 9.123 1.00 0.00 H new ATOM 1658 N LEU C 4 1.572 -8.096 6.727 1.00 0.00 N ATOM 1659 CA LEU C 4 0.365 -8.900 6.617 1.00 0.00 C ATOM 1660 C LEU C 4 -0.018 -9.098 5.152 1.00 0.00 C ATOM 1661 O LEU C 4 0.674 -8.612 4.256 1.00 0.00 O ATOM 1662 CB LEU C 4 -0.756 -8.266 7.452 1.00 0.00 C ATOM 1663 CG LEU C 4 -0.912 -6.751 7.306 1.00 0.00 C ATOM 1664 CD1 LEU C 4 -1.492 -6.361 5.949 1.00 0.00 C ATOM 1665 CD2 LEU C 4 -1.865 -6.295 8.403 1.00 0.00 C ATOM 0 H LEU C 4 1.795 -7.571 5.882 1.00 0.00 H new ATOM 0 HA LEU C 4 0.545 -9.896 7.022 1.00 0.00 H new ATOM 0 HB2 LEU C 4 -1.700 -8.738 7.179 1.00 0.00 H new ATOM 0 HB3 LEU C 4 -0.577 -8.495 8.502 1.00 0.00 H new ATOM 0 HG LEU C 4 0.067 -6.279 7.385 1.00 0.00 H new ATOM 0 HD11 LEU C 4 -1.585 -5.276 5.891 1.00 0.00 H new ATOM 0 HD12 LEU C 4 -0.831 -6.712 5.156 1.00 0.00 H new ATOM 0 HD13 LEU C 4 -2.475 -6.816 5.829 1.00 0.00 H new ATOM 0 HD21 LEU C 4 -2.006 -5.216 8.337 1.00 0.00 H new ATOM 0 HD22 LEU C 4 -2.826 -6.795 8.281 1.00 0.00 H new ATOM 0 HD23 LEU C 4 -1.446 -6.547 9.377 1.00 0.00 H new ATOM 1677 N THR C 5 -1.122 -9.810 4.900 1.00 0.00 N ATOM 1678 CA THR C 5 -1.600 -10.056 3.546 1.00 0.00 C ATOM 1679 C THR C 5 -2.997 -9.486 3.346 1.00 0.00 C ATOM 1680 O THR C 5 -3.784 -9.367 4.286 1.00 0.00 O ATOM 1681 CB THR C 5 -1.652 -11.554 3.219 1.00 0.00 C ATOM 1682 OG1 THR C 5 -2.181 -12.265 4.313 1.00 0.00 O ATOM 1683 CG2 THR C 5 -0.287 -12.131 2.850 1.00 0.00 C ATOM 0 H THR C 5 -1.702 -10.227 5.628 1.00 0.00 H new ATOM 0 HA THR C 5 -0.891 -9.563 2.881 1.00 0.00 H new ATOM 0 HB THR C 5 -2.296 -11.663 2.346 1.00 0.00 H new ATOM 0 HG1 THR C 5 -2.213 -13.220 4.097 1.00 0.00 H new ATOM 0 HG21 THR C 5 -0.389 -13.194 2.629 1.00 0.00 H new ATOM 0 HG22 THR C 5 0.102 -11.614 1.973 1.00 0.00 H new ATOM 0 HG23 THR C 5 0.402 -11.998 3.684 1.00 0.00 H new ATOM 1691 N ARG C 6 -3.277 -9.142 2.090 1.00 0.00 N ATOM 1692 CA ARG C 6 -4.558 -8.646 1.616 1.00 0.00 C ATOM 1693 C ARG C 6 -4.761 -9.164 0.202 1.00 0.00 C ATOM 1694 O ARG C 6 -3.825 -9.690 -0.399 1.00 0.00 O ATOM 1695 CB ARG C 6 -4.539 -7.113 1.588 1.00 0.00 C ATOM 1696 CG ARG C 6 -4.723 -6.466 2.963 1.00 0.00 C ATOM 1697 CD ARG C 6 -6.183 -6.090 3.229 1.00 0.00 C ATOM 1698 NE ARG C 6 -7.065 -7.262 3.324 1.00 0.00 N ATOM 1699 CZ ARG C 6 -8.294 -7.223 3.843 1.00 0.00 C ATOM 1700 NH1 ARG C 6 -8.802 -6.079 4.299 1.00 0.00 N ATOM 1701 NH2 ARG C 6 -9.024 -8.331 3.908 1.00 0.00 N ATOM 0 H ARG C 6 -2.583 -9.206 1.346 1.00 0.00 H new ATOM 0 HA ARG C 6 -5.360 -8.981 2.273 1.00 0.00 H new ATOM 0 HB2 ARG C 6 -3.592 -6.779 1.164 1.00 0.00 H new ATOM 0 HB3 ARG C 6 -5.328 -6.762 0.923 1.00 0.00 H new ATOM 0 HG2 ARG C 6 -4.379 -7.153 3.736 1.00 0.00 H new ATOM 0 HG3 ARG C 6 -4.101 -5.574 3.030 1.00 0.00 H new ATOM 0 HD2 ARG C 6 -6.243 -5.520 4.156 1.00 0.00 H new ATOM 0 HD3 ARG C 6 -6.537 -5.438 2.430 1.00 0.00 H new ATOM 0 HE ARG C 6 -6.718 -8.155 2.974 1.00 0.00 H new ATOM 0 HH11 ARG C 6 -8.251 -5.222 4.253 1.00 0.00 H new ATOM 0 HH12 ARG C 6 -9.742 -6.060 4.694 1.00 0.00 H new ATOM 0 HH21 ARG C 6 -8.645 -9.212 3.561 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -9.963 -8.300 4.305 1.00 0.00 H new ATOM 1715 N LYS C 7 -5.974 -9.019 -0.332 1.00 0.00 N ATOM 1716 CA LYS C 7 -6.249 -9.375 -1.713 1.00 0.00 C ATOM 1717 C LYS C 7 -6.709 -8.156 -2.489 1.00 0.00 C ATOM 1718 O LYS C 7 -7.097 -7.150 -1.900 1.00 0.00 O ATOM 1719 CB LYS C 7 -7.295 -10.483 -1.829 1.00 0.00 C ATOM 1720 CG LYS C 7 -6.696 -11.858 -1.553 1.00 0.00 C ATOM 1721 CD LYS C 7 -7.614 -12.935 -2.130 1.00 0.00 C ATOM 1722 CE LYS C 7 -6.878 -14.270 -2.091 1.00 0.00 C ATOM 1723 NZ LYS C 7 -7.775 -15.372 -2.477 1.00 0.00 N ATOM 0 H LYS C 7 -6.780 -8.656 0.177 1.00 0.00 H new ATOM 0 HA LYS C 7 -5.318 -9.753 -2.136 1.00 0.00 H new ATOM 0 HB2 LYS C 7 -8.106 -10.292 -1.126 1.00 0.00 H new ATOM 0 HB3 LYS C 7 -7.729 -10.470 -2.829 1.00 0.00 H new ATOM 0 HG2 LYS C 7 -5.705 -11.932 -2.000 1.00 0.00 H new ATOM 0 HG3 LYS C 7 -6.574 -12.005 -0.480 1.00 0.00 H new ATOM 0 HD2 LYS C 7 -8.537 -12.994 -1.553 1.00 0.00 H new ATOM 0 HD3 LYS C 7 -7.893 -12.686 -3.154 1.00 0.00 H new ATOM 0 HE2 LYS C 7 -6.022 -14.239 -2.765 1.00 0.00 H new ATOM 0 HE3 LYS C 7 -6.488 -14.446 -1.089 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 -7.254 -16.272 -2.444 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 -8.578 -15.413 -1.818 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 -8.127 -15.211 -3.442 1.00 0.00 H new ATOM 1737 N VAL C 8 -6.666 -8.250 -3.816 1.00 0.00 N ATOM 1738 CA VAL C 8 -7.083 -7.157 -4.673 1.00 0.00 C ATOM 1739 C VAL C 8 -8.493 -6.692 -4.308 1.00 0.00 C ATOM 1740 O VAL C 8 -9.384 -7.510 -4.077 1.00 0.00 O ATOM 1741 CB VAL C 8 -7.003 -7.553 -6.143 1.00 0.00 C ATOM 1742 CG1 VAL C 8 -5.541 -7.749 -6.521 1.00 0.00 C ATOM 1743 CG2 VAL C 8 -7.762 -8.834 -6.475 1.00 0.00 C ATOM 0 H VAL C 8 -6.344 -9.078 -4.317 1.00 0.00 H new ATOM 0 HA VAL C 8 -6.399 -6.323 -4.515 1.00 0.00 H new ATOM 0 HB VAL C 8 -7.469 -6.747 -6.710 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -5.472 -8.033 -7.571 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -4.996 -6.819 -6.360 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -5.108 -8.536 -5.903 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -7.660 -9.052 -7.538 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -7.353 -9.660 -5.894 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -8.817 -8.706 -6.231 1.00 0.00 H new ATOM 1753 N GLY C 9 -8.696 -5.376 -4.251 1.00 0.00 N ATOM 1754 CA GLY C 9 -9.990 -4.775 -3.966 1.00 0.00 C ATOM 1755 C GLY C 9 -10.198 -4.513 -2.470 1.00 0.00 C ATOM 1756 O GLY C 9 -11.118 -3.787 -2.102 1.00 0.00 O ATOM 0 H GLY C 9 -7.954 -4.693 -4.404 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -10.079 -3.836 -4.512 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -10.780 -5.432 -4.330 1.00 0.00 H new ATOM 1760 N GLU C 10 -9.358 -5.095 -1.611 1.00 0.00 N ATOM 1761 CA GLU C 10 -9.453 -4.903 -0.170 1.00 0.00 C ATOM 1762 C GLU C 10 -8.781 -3.596 0.259 1.00 0.00 C ATOM 1763 O GLU C 10 -8.234 -2.870 -0.575 1.00 0.00 O ATOM 1764 CB GLU C 10 -8.816 -6.089 0.554 1.00 0.00 C ATOM 1765 CG GLU C 10 -9.534 -7.402 0.235 1.00 0.00 C ATOM 1766 CD GLU C 10 -10.998 -7.356 0.662 1.00 0.00 C ATOM 1767 OE1 GLU C 10 -11.240 -7.145 1.872 1.00 0.00 O ATOM 1768 OE2 GLU C 10 -11.869 -7.531 -0.220 1.00 0.00 O ATOM 0 H GLU C 10 -8.597 -5.710 -1.898 1.00 0.00 H new ATOM 0 HA GLU C 10 -10.507 -4.841 0.099 1.00 0.00 H new ATOM 0 HB2 GLU C 10 -7.767 -6.169 0.267 1.00 0.00 H new ATOM 0 HB3 GLU C 10 -8.840 -5.914 1.630 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -9.472 -7.601 -0.835 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -9.031 -8.225 0.742 1.00 0.00 H new ATOM 1775 N SER C 11 -8.816 -3.296 1.564 1.00 0.00 N ATOM 1776 CA SER C 11 -8.288 -2.046 2.098 1.00 0.00 C ATOM 1777 C SER C 11 -7.572 -2.255 3.432 1.00 0.00 C ATOM 1778 O SER C 11 -7.659 -3.321 4.048 1.00 0.00 O ATOM 1779 CB SER C 11 -9.433 -1.048 2.282 1.00 0.00 C ATOM 1780 OG SER C 11 -10.087 -0.809 1.054 1.00 0.00 O ATOM 0 H SER C 11 -9.211 -3.915 2.272 1.00 0.00 H new ATOM 0 HA SER C 11 -7.559 -1.658 1.386 1.00 0.00 H new ATOM 0 HB2 SER C 11 -10.146 -1.435 3.010 1.00 0.00 H new ATOM 0 HB3 SER C 11 -9.045 -0.111 2.682 1.00 0.00 H new ATOM 0 HG SER C 11 -10.817 -0.170 1.191 1.00 0.00 H new ATOM 1786 N ILE C 12 -6.863 -1.211 3.872 1.00 0.00 N ATOM 1787 CA ILE C 12 -6.088 -1.171 5.106 1.00 0.00 C ATOM 1788 C ILE C 12 -6.222 0.238 5.687 1.00 0.00 C ATOM 1789 O ILE C 12 -6.744 1.130 5.016 1.00 0.00 O ATOM 1790 CB ILE C 12 -4.610 -1.508 4.818 1.00 0.00 C ATOM 1791 CG1 ILE C 12 -4.492 -2.715 3.879 1.00 0.00 C ATOM 1792 CG2 ILE C 12 -3.821 -1.786 6.104 1.00 0.00 C ATOM 1793 CD1 ILE C 12 -3.032 -3.037 3.564 1.00 0.00 C ATOM 0 H ILE C 12 -6.814 -0.335 3.352 1.00 0.00 H new ATOM 0 HA ILE C 12 -6.458 -1.908 5.819 1.00 0.00 H new ATOM 0 HB ILE C 12 -4.181 -0.630 4.335 1.00 0.00 H new ATOM 0 HG12 ILE C 12 -4.966 -3.582 4.338 1.00 0.00 H new ATOM 0 HG13 ILE C 12 -5.029 -2.511 2.953 1.00 0.00 H new ATOM 0 HG21 ILE C 12 -2.786 -2.019 5.853 1.00 0.00 H new ATOM 0 HG22 ILE C 12 -3.850 -0.906 6.746 1.00 0.00 H new ATOM 0 HG23 ILE C 12 -4.266 -2.632 6.628 1.00 0.00 H new ATOM 0 HD11 ILE C 12 -2.985 -3.897 2.896 1.00 0.00 H new ATOM 0 HD12 ILE C 12 -2.566 -2.178 3.082 1.00 0.00 H new ATOM 0 HD13 ILE C 12 -2.502 -3.266 4.489 1.00 0.00 H new ATOM 1805 N ASN C 13 -5.766 0.464 6.919 1.00 0.00 N ATOM 1806 CA ASN C 13 -5.915 1.752 7.579 1.00 0.00 C ATOM 1807 C ASN C 13 -4.662 2.123 8.377 1.00 0.00 C ATOM 1808 O ASN C 13 -3.913 1.242 8.801 1.00 0.00 O ATOM 1809 CB ASN C 13 -7.139 1.694 8.498 1.00 0.00 C ATOM 1810 CG ASN C 13 -7.638 3.094 8.828 1.00 0.00 C ATOM 1811 OD1 ASN C 13 -7.130 3.746 9.733 1.00 0.00 O ATOM 1812 ND2 ASN C 13 -8.643 3.558 8.090 1.00 0.00 N ATOM 0 H ASN C 13 -5.286 -0.239 7.481 1.00 0.00 H new ATOM 0 HA ASN C 13 -6.053 2.524 6.822 1.00 0.00 H new ATOM 0 HB2 ASN C 13 -7.934 1.125 8.016 1.00 0.00 H new ATOM 0 HB3 ASN C 13 -6.883 1.169 9.418 1.00 0.00 H new ATOM 0 HD21 ASN C 13 -9.019 4.489 8.268 1.00 0.00 H new ATOM 0 HD22 ASN C 13 -9.037 2.983 7.346 1.00 0.00 H new ATOM 1819 N ILE C 14 -4.444 3.426 8.578 1.00 0.00 N ATOM 1820 CA ILE C 14 -3.320 3.957 9.342 1.00 0.00 C ATOM 1821 C ILE C 14 -3.818 5.140 10.173 1.00 0.00 C ATOM 1822 O ILE C 14 -4.602 5.960 9.694 1.00 0.00 O ATOM 1823 CB ILE C 14 -2.182 4.391 8.406 1.00 0.00 C ATOM 1824 CG1 ILE C 14 -1.716 3.204 7.547 1.00 0.00 C ATOM 1825 CG2 ILE C 14 -1.023 4.952 9.237 1.00 0.00 C ATOM 1826 CD1 ILE C 14 -0.595 3.608 6.586 1.00 0.00 C ATOM 0 H ILE C 14 -5.057 4.151 8.206 1.00 0.00 H new ATOM 0 HA ILE C 14 -2.923 3.184 10.000 1.00 0.00 H new ATOM 0 HB ILE C 14 -2.543 5.170 7.735 1.00 0.00 H new ATOM 0 HG12 ILE C 14 -1.368 2.400 8.195 1.00 0.00 H new ATOM 0 HG13 ILE C 14 -2.560 2.812 6.979 1.00 0.00 H new ATOM 0 HG21 ILE C 14 -0.215 5.260 8.573 1.00 0.00 H new ATOM 0 HG22 ILE C 14 -1.369 5.812 9.811 1.00 0.00 H new ATOM 0 HG23 ILE C 14 -0.659 4.184 9.919 1.00 0.00 H new ATOM 0 HD11 ILE C 14 -0.292 2.743 5.996 1.00 0.00 H new ATOM 0 HD12 ILE C 14 -0.952 4.394 5.921 1.00 0.00 H new ATOM 0 HD13 ILE C 14 0.258 3.975 7.156 1.00 0.00 H new ATOM 1838 N GLY C 15 -3.362 5.228 11.425 1.00 0.00 N ATOM 1839 CA GLY C 15 -3.821 6.252 12.348 1.00 0.00 C ATOM 1840 C GLY C 15 -5.339 6.168 12.461 1.00 0.00 C ATOM 1841 O GLY C 15 -5.893 5.095 12.687 1.00 0.00 O ATOM 0 H GLY C 15 -2.668 4.592 11.819 1.00 0.00 H new ATOM 0 HA2 GLY C 15 -3.362 6.111 13.326 1.00 0.00 H new ATOM 0 HA3 GLY C 15 -3.523 7.239 11.995 1.00 0.00 H new ATOM 1845 N ASP C 16 -6.006 7.311 12.297 1.00 0.00 N ATOM 1846 CA ASP C 16 -7.459 7.382 12.249 1.00 0.00 C ATOM 1847 C ASP C 16 -7.902 8.410 11.205 1.00 0.00 C ATOM 1848 O ASP C 16 -9.057 8.829 11.202 1.00 0.00 O ATOM 1849 CB ASP C 16 -8.017 7.685 13.644 1.00 0.00 C ATOM 1850 CG ASP C 16 -7.590 9.053 14.171 1.00 0.00 C ATOM 1851 OD1 ASP C 16 -6.388 9.201 14.485 1.00 0.00 O ATOM 1852 OD2 ASP C 16 -8.470 9.938 14.259 1.00 0.00 O ATOM 0 H ASP C 16 -5.547 8.216 12.194 1.00 0.00 H new ATOM 0 HA ASP C 16 -7.864 6.418 11.942 1.00 0.00 H new ATOM 0 HB2 ASP C 16 -9.105 7.637 13.613 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -7.684 6.914 14.338 1.00 0.00 H new ATOM 1857 N ASP C 17 -6.982 8.816 10.318 1.00 0.00 N ATOM 1858 CA ASP C 17 -7.255 9.778 9.261 1.00 0.00 C ATOM 1859 C ASP C 17 -6.624 9.347 7.931 1.00 0.00 C ATOM 1860 O ASP C 17 -6.644 10.119 6.974 1.00 0.00 O ATOM 1861 CB ASP C 17 -6.743 11.169 9.638 1.00 0.00 C ATOM 1862 CG ASP C 17 -7.327 11.680 10.952 1.00 0.00 C ATOM 1863 OD1 ASP C 17 -8.516 12.072 10.939 1.00 0.00 O ATOM 1864 OD2 ASP C 17 -6.578 11.674 11.954 1.00 0.00 O ATOM 0 H ASP C 17 -6.020 8.477 10.321 1.00 0.00 H new ATOM 0 HA ASP C 17 -8.337 9.816 9.138 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -5.656 11.142 9.715 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -6.989 11.870 8.840 1.00 0.00 H new ATOM 1869 N ILE C 18 -6.066 8.132 7.855 1.00 0.00 N ATOM 1870 CA ILE C 18 -5.449 7.639 6.631 1.00 0.00 C ATOM 1871 C ILE C 18 -5.988 6.250 6.312 1.00 0.00 C ATOM 1872 O ILE C 18 -6.233 5.449 7.212 1.00 0.00 O ATOM 1873 CB ILE C 18 -3.919 7.605 6.767 1.00 0.00 C ATOM 1874 CG1 ILE C 18 -3.317 8.988 7.040 1.00 0.00 C ATOM 1875 CG2 ILE C 18 -3.297 7.059 5.481 1.00 0.00 C ATOM 1876 CD1 ILE C 18 -3.192 9.236 8.546 1.00 0.00 C ATOM 0 H ILE C 18 -6.033 7.475 8.634 1.00 0.00 H new ATOM 0 HA ILE C 18 -5.697 8.316 5.813 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.696 6.962 7.619 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -2.336 9.062 6.572 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -3.944 9.758 6.590 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -2.212 7.037 5.582 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -3.665 6.049 5.299 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -3.570 7.701 4.644 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -2.763 10.223 8.718 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -4.179 9.184 9.006 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -2.546 8.477 8.987 1.00 0.00 H new ATOM 1888 N THR C 19 -6.164 5.971 5.020 1.00 0.00 N ATOM 1889 CA THR C 19 -6.655 4.693 4.533 1.00 0.00 C ATOM 1890 C THR C 19 -5.843 4.303 3.301 1.00 0.00 C ATOM 1891 O THR C 19 -5.285 5.168 2.630 1.00 0.00 O ATOM 1892 CB THR C 19 -8.152 4.807 4.210 1.00 0.00 C ATOM 1893 OG1 THR C 19 -8.838 5.398 5.295 1.00 0.00 O ATOM 1894 CG2 THR C 19 -8.779 3.437 3.958 1.00 0.00 C ATOM 0 H THR C 19 -5.965 6.640 4.276 1.00 0.00 H new ATOM 0 HA THR C 19 -6.539 3.918 5.291 1.00 0.00 H new ATOM 0 HB THR C 19 -8.239 5.418 3.312 1.00 0.00 H new ATOM 0 HG1 THR C 19 -9.792 5.468 5.080 1.00 0.00 H new ATOM 0 HG21 THR C 19 -9.839 3.558 3.733 1.00 0.00 H new ATOM 0 HG22 THR C 19 -8.281 2.958 3.115 1.00 0.00 H new ATOM 0 HG23 THR C 19 -8.665 2.816 4.847 1.00 0.00 H new ATOM 1902 N ILE C 20 -5.782 3.005 3.006 1.00 0.00 N ATOM 1903 CA ILE C 20 -4.984 2.459 1.916 1.00 0.00 C ATOM 1904 C ILE C 20 -5.821 1.403 1.203 1.00 0.00 C ATOM 1905 O ILE C 20 -6.647 0.745 1.836 1.00 0.00 O ATOM 1906 CB ILE C 20 -3.713 1.814 2.491 1.00 0.00 C ATOM 1907 CG1 ILE C 20 -2.882 2.775 3.354 1.00 0.00 C ATOM 1908 CG2 ILE C 20 -2.843 1.233 1.374 1.00 0.00 C ATOM 1909 CD1 ILE C 20 -2.251 3.901 2.542 1.00 0.00 C ATOM 0 H ILE C 20 -6.295 2.294 3.528 1.00 0.00 H new ATOM 0 HA ILE C 20 -4.696 3.245 1.218 1.00 0.00 H new ATOM 0 HB ILE C 20 -4.054 1.011 3.145 1.00 0.00 H new ATOM 0 HG12 ILE C 20 -3.518 3.204 4.128 1.00 0.00 H new ATOM 0 HG13 ILE C 20 -2.097 2.214 3.861 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -1.950 0.782 1.806 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -3.406 0.474 0.831 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -2.552 2.029 0.688 1.00 0.00 H new ATOM 0 HD11 ILE C 20 -1.676 4.549 3.204 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -1.591 3.478 1.785 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -3.035 4.483 2.056 1.00 0.00 H new ATOM 1921 N THR C 21 -5.613 1.242 -0.104 1.00 0.00 N ATOM 1922 CA THR C 21 -6.357 0.266 -0.882 1.00 0.00 C ATOM 1923 C THR C 21 -5.418 -0.433 -1.860 1.00 0.00 C ATOM 1924 O THR C 21 -4.432 0.151 -2.307 1.00 0.00 O ATOM 1925 CB THR C 21 -7.495 0.969 -1.635 1.00 0.00 C ATOM 1926 OG1 THR C 21 -8.152 1.886 -0.786 1.00 0.00 O ATOM 1927 CG2 THR C 21 -8.532 -0.035 -2.134 1.00 0.00 C ATOM 0 H THR C 21 -4.933 1.779 -0.642 1.00 0.00 H new ATOM 0 HA THR C 21 -6.788 -0.483 -0.217 1.00 0.00 H new ATOM 0 HB THR C 21 -7.048 1.486 -2.484 1.00 0.00 H new ATOM 0 HG1 THR C 21 -8.874 2.328 -1.279 1.00 0.00 H new ATOM 0 HG21 THR C 21 -9.325 0.494 -2.663 1.00 0.00 H new ATOM 0 HG22 THR C 21 -8.055 -0.745 -2.810 1.00 0.00 H new ATOM 0 HG23 THR C 21 -8.957 -0.571 -1.286 1.00 0.00 H new ATOM 1935 N ILE C 22 -5.728 -1.690 -2.188 1.00 0.00 N ATOM 1936 CA ILE C 22 -4.956 -2.502 -3.119 1.00 0.00 C ATOM 1937 C ILE C 22 -5.817 -2.689 -4.365 1.00 0.00 C ATOM 1938 O ILE C 22 -6.563 -3.658 -4.486 1.00 0.00 O ATOM 1939 CB ILE C 22 -4.515 -3.810 -2.440 1.00 0.00 C ATOM 1940 CG1 ILE C 22 -3.931 -4.829 -3.428 1.00 0.00 C ATOM 1941 CG2 ILE C 22 -5.651 -4.491 -1.675 1.00 0.00 C ATOM 1942 CD1 ILE C 22 -2.810 -4.219 -4.263 1.00 0.00 C ATOM 0 H ILE C 22 -6.538 -2.176 -1.804 1.00 0.00 H new ATOM 0 HA ILE C 22 -4.025 -2.023 -3.423 1.00 0.00 H new ATOM 0 HB ILE C 22 -3.739 -3.500 -1.740 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -3.550 -5.691 -2.880 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -4.720 -5.192 -4.086 1.00 0.00 H new ATOM 0 HG21 ILE C 22 -5.282 -5.409 -1.217 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -6.020 -3.821 -0.899 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -6.461 -4.730 -2.364 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -2.420 -4.969 -4.951 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.198 -3.373 -4.830 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -2.010 -3.879 -3.605 1.00 0.00 H new ATOM 1954 N LEU C 23 -5.703 -1.745 -5.304 1.00 0.00 N ATOM 1955 CA LEU C 23 -6.623 -1.661 -6.425 1.00 0.00 C ATOM 1956 C LEU C 23 -6.513 -2.868 -7.356 1.00 0.00 C ATOM 1957 O LEU C 23 -7.478 -3.191 -8.050 1.00 0.00 O ATOM 1958 CB LEU C 23 -6.377 -0.364 -7.192 1.00 0.00 C ATOM 1959 CG LEU C 23 -6.321 0.857 -6.270 1.00 0.00 C ATOM 1960 CD1 LEU C 23 -6.340 2.114 -7.119 1.00 0.00 C ATOM 1961 CD2 LEU C 23 -7.514 0.926 -5.322 1.00 0.00 C ATOM 0 H LEU C 23 -4.977 -1.029 -5.303 1.00 0.00 H new ATOM 0 HA LEU C 23 -7.638 -1.663 -6.027 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -5.440 -0.443 -7.743 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -7.169 -0.224 -7.928 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.410 0.773 -5.678 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.300 2.991 -6.472 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -5.478 2.116 -7.786 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.256 2.140 -7.710 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -7.426 1.810 -4.690 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -8.436 0.984 -5.901 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -7.534 0.033 -4.697 1.00 0.00 H new ATOM 1973 N GLY C 24 -5.358 -3.533 -7.372 1.00 0.00 N ATOM 1974 CA GLY C 24 -5.214 -4.763 -8.133 1.00 0.00 C ATOM 1975 C GLY C 24 -3.767 -5.226 -8.218 1.00 0.00 C ATOM 1976 O GLY C 24 -2.867 -4.591 -7.668 1.00 0.00 O ATOM 0 H GLY C 24 -4.519 -3.241 -6.871 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -5.817 -5.545 -7.671 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -5.604 -4.612 -9.140 1.00 0.00 H new ATOM 1980 N VAL C 25 -3.545 -6.339 -8.918 1.00 0.00 N ATOM 1981 CA VAL C 25 -2.225 -6.933 -9.068 1.00 0.00 C ATOM 1982 C VAL C 25 -1.979 -7.276 -10.536 1.00 0.00 C ATOM 1983 O VAL C 25 -2.900 -7.651 -11.261 1.00 0.00 O ATOM 1984 CB VAL C 25 -2.114 -8.158 -8.148 1.00 0.00 C ATOM 1985 CG1 VAL C 25 -3.129 -9.241 -8.507 1.00 0.00 C ATOM 1986 CG2 VAL C 25 -0.710 -8.754 -8.205 1.00 0.00 C ATOM 0 H VAL C 25 -4.283 -6.853 -9.398 1.00 0.00 H new ATOM 0 HA VAL C 25 -1.450 -6.227 -8.770 1.00 0.00 H new ATOM 0 HB VAL C 25 -2.326 -7.808 -7.138 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -3.013 -10.087 -7.830 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -4.138 -8.839 -8.415 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -2.962 -9.571 -9.532 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -0.655 -9.620 -7.546 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -0.486 -9.061 -9.227 1.00 0.00 H new ATOM 0 HG23 VAL C 25 0.016 -8.007 -7.884 1.00 0.00 H new ATOM 1996 N SER C 26 -0.727 -7.140 -10.963 1.00 0.00 N ATOM 1997 CA SER C 26 -0.304 -7.312 -12.346 1.00 0.00 C ATOM 1998 C SER C 26 1.104 -7.905 -12.362 1.00 0.00 C ATOM 1999 O SER C 26 2.041 -7.297 -12.876 1.00 0.00 O ATOM 2000 CB SER C 26 -0.326 -5.968 -13.079 1.00 0.00 C ATOM 2001 OG SER C 26 -1.635 -5.433 -13.082 1.00 0.00 O ATOM 0 H SER C 26 0.042 -6.900 -10.337 1.00 0.00 H new ATOM 0 HA SER C 26 -0.989 -7.988 -12.858 1.00 0.00 H new ATOM 0 HB2 SER C 26 0.358 -5.271 -12.595 1.00 0.00 H new ATOM 0 HB3 SER C 26 0.023 -6.099 -14.103 1.00 0.00 H new ATOM 0 HG SER C 26 -1.636 -4.573 -13.552 1.00 0.00 H new ATOM 2007 N GLY C 27 1.248 -9.104 -11.790 1.00 0.00 N ATOM 2008 CA GLY C 27 2.549 -9.745 -11.716 1.00 0.00 C ATOM 2009 C GLY C 27 3.409 -9.020 -10.695 1.00 0.00 C ATOM 2010 O GLY C 27 2.937 -8.689 -9.607 1.00 0.00 O ATOM 0 H GLY C 27 0.484 -9.640 -11.378 1.00 0.00 H new ATOM 0 HA2 GLY C 27 2.436 -10.792 -11.435 1.00 0.00 H new ATOM 0 HA3 GLY C 27 3.032 -9.728 -12.693 1.00 0.00 H new ATOM 2014 N GLN C 28 4.677 -8.775 -11.036 1.00 0.00 N ATOM 2015 CA GLN C 28 5.585 -8.068 -10.149 1.00 0.00 C ATOM 2016 C GLN C 28 5.146 -6.619 -9.944 1.00 0.00 C ATOM 2017 O GLN C 28 5.705 -5.952 -9.078 1.00 0.00 O ATOM 2018 CB GLN C 28 7.014 -8.121 -10.695 1.00 0.00 C ATOM 2019 CG GLN C 28 7.664 -9.479 -10.413 1.00 0.00 C ATOM 2020 CD GLN C 28 6.749 -10.656 -10.742 1.00 0.00 C ATOM 2021 OE1 GLN C 28 6.572 -11.009 -11.905 1.00 0.00 O ATOM 2022 NE2 GLN C 28 6.161 -11.271 -9.717 1.00 0.00 N ATOM 0 H GLN C 28 5.092 -9.059 -11.923 1.00 0.00 H new ATOM 0 HA GLN C 28 5.560 -8.565 -9.179 1.00 0.00 H new ATOM 0 HB2 GLN C 28 7.003 -7.936 -11.769 1.00 0.00 H new ATOM 0 HB3 GLN C 28 7.609 -7.329 -10.241 1.00 0.00 H new ATOM 0 HG2 GLN C 28 8.581 -9.565 -10.995 1.00 0.00 H new ATOM 0 HG3 GLN C 28 7.948 -9.529 -9.362 1.00 0.00 H new ATOM 0 HE21 GLN C 28 6.331 -10.950 -8.764 1.00 0.00 H new ATOM 0 HE22 GLN C 28 5.540 -12.063 -9.885 1.00 0.00 H new ATOM 2031 N GLN C 29 4.170 -6.121 -10.712 1.00 0.00 N ATOM 2032 CA GLN C 29 3.670 -4.775 -10.520 1.00 0.00 C ATOM 2033 C GLN C 29 2.331 -4.834 -9.806 1.00 0.00 C ATOM 2034 O GLN C 29 1.538 -5.750 -10.009 1.00 0.00 O ATOM 2035 CB GLN C 29 3.559 -4.077 -11.877 1.00 0.00 C ATOM 2036 CG GLN C 29 3.187 -2.608 -11.682 1.00 0.00 C ATOM 2037 CD GLN C 29 3.409 -1.815 -12.961 1.00 0.00 C ATOM 2038 OE1 GLN C 29 4.431 -1.152 -13.102 1.00 0.00 O ATOM 2039 NE2 GLN C 29 2.463 -1.875 -13.892 1.00 0.00 N ATOM 0 H GLN C 29 3.718 -6.636 -11.468 1.00 0.00 H new ATOM 0 HA GLN C 29 4.357 -4.198 -9.901 1.00 0.00 H new ATOM 0 HB2 GLN C 29 4.505 -4.153 -12.412 1.00 0.00 H new ATOM 0 HB3 GLN C 29 2.806 -4.573 -12.489 1.00 0.00 H new ATOM 0 HG2 GLN C 29 2.143 -2.531 -11.379 1.00 0.00 H new ATOM 0 HG3 GLN C 29 3.785 -2.181 -10.877 1.00 0.00 H new ATOM 0 HE21 GLN C 29 1.628 -2.439 -13.735 1.00 0.00 H new ATOM 0 HE22 GLN C 29 2.572 -1.357 -14.764 1.00 0.00 H new ATOM 2048 N VAL C 30 2.086 -3.837 -8.957 1.00 0.00 N ATOM 2049 CA VAL C 30 0.867 -3.761 -8.177 1.00 0.00 C ATOM 2050 C VAL C 30 0.339 -2.334 -8.233 1.00 0.00 C ATOM 2051 O VAL C 30 1.138 -1.398 -8.190 1.00 0.00 O ATOM 2052 CB VAL C 30 1.199 -4.167 -6.733 1.00 0.00 C ATOM 2053 CG1 VAL C 30 -0.063 -4.255 -5.883 1.00 0.00 C ATOM 2054 CG2 VAL C 30 1.879 -5.533 -6.682 1.00 0.00 C ATOM 0 H VAL C 30 2.731 -3.063 -8.796 1.00 0.00 H new ATOM 0 HA VAL C 30 0.101 -4.430 -8.570 1.00 0.00 H new ATOM 0 HB VAL C 30 1.867 -3.399 -6.344 1.00 0.00 H new ATOM 0 HG11 VAL C 30 0.203 -4.544 -4.866 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.559 -3.284 -5.866 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -0.737 -4.999 -6.308 1.00 0.00 H new ATOM 0 HG21 VAL C 30 2.101 -5.791 -5.646 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.216 -6.286 -7.109 1.00 0.00 H new ATOM 0 HG23 VAL C 30 2.806 -5.499 -7.254 1.00 0.00 H new ATOM 2064 N ARG C 31 -0.984 -2.158 -8.325 1.00 0.00 N ATOM 2065 CA ARG C 31 -1.580 -0.824 -8.325 1.00 0.00 C ATOM 2066 C ARG C 31 -2.222 -0.608 -6.964 1.00 0.00 C ATOM 2067 O ARG C 31 -3.030 -1.422 -6.513 1.00 0.00 O ATOM 2068 CB ARG C 31 -2.591 -0.648 -9.465 1.00 0.00 C ATOM 2069 CG ARG C 31 -2.837 0.853 -9.693 1.00 0.00 C ATOM 2070 CD ARG C 31 -3.980 1.129 -10.669 1.00 0.00 C ATOM 2071 NE ARG C 31 -3.796 0.437 -11.950 1.00 0.00 N ATOM 2072 CZ ARG C 31 -3.538 1.039 -13.116 1.00 0.00 C ATOM 2073 NH1 ARG C 31 -3.379 2.360 -13.189 1.00 0.00 N ATOM 2074 NH2 ARG C 31 -3.434 0.312 -14.226 1.00 0.00 N ATOM 0 H ARG C 31 -1.657 -2.921 -8.400 1.00 0.00 H new ATOM 0 HA ARG C 31 -0.809 -0.073 -8.499 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -2.213 -1.110 -10.377 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -3.527 -1.149 -9.218 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -3.060 1.328 -8.738 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -1.924 1.312 -10.072 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -4.922 0.814 -10.220 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -4.054 2.202 -10.845 1.00 0.00 H new ATOM 0 HE ARG C 31 -3.871 -0.580 -11.951 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -3.454 2.930 -12.346 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -3.183 2.801 -14.087 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -3.551 -0.700 -14.185 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -3.237 0.767 -15.117 1.00 0.00 H new ATOM 2088 N ILE C 32 -1.853 0.503 -6.325 1.00 0.00 N ATOM 2089 CA ILE C 32 -2.196 0.776 -4.939 1.00 0.00 C ATOM 2090 C ILE C 32 -2.775 2.183 -4.841 1.00 0.00 C ATOM 2091 O ILE C 32 -2.485 3.033 -5.684 1.00 0.00 O ATOM 2092 CB ILE C 32 -0.929 0.641 -4.079 1.00 0.00 C ATOM 2093 CG1 ILE C 32 -0.038 -0.523 -4.555 1.00 0.00 C ATOM 2094 CG2 ILE C 32 -1.318 0.458 -2.610 1.00 0.00 C ATOM 2095 CD1 ILE C 32 1.159 -0.765 -3.633 1.00 0.00 C ATOM 0 H ILE C 32 -1.303 1.242 -6.764 1.00 0.00 H new ATOM 0 HA ILE C 32 -2.941 0.067 -4.578 1.00 0.00 H new ATOM 0 HB ILE C 32 -0.347 1.557 -4.185 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -0.636 -1.432 -4.614 1.00 0.00 H new ATOM 0 HG13 ILE C 32 0.321 -0.312 -5.562 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -0.417 0.363 -2.004 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -1.891 1.323 -2.275 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -1.924 -0.442 -2.503 1.00 0.00 H new ATOM 0 HD11 ILE C 32 1.751 -1.596 -4.016 1.00 0.00 H new ATOM 0 HD12 ILE C 32 1.776 0.133 -3.594 1.00 0.00 H new ATOM 0 HD13 ILE C 32 0.804 -1.005 -2.631 1.00 0.00 H new ATOM 2107 N GLY C 33 -3.587 2.432 -3.814 1.00 0.00 N ATOM 2108 CA GLY C 33 -4.210 3.727 -3.598 1.00 0.00 C ATOM 2109 C GLY C 33 -4.019 4.161 -2.154 1.00 0.00 C ATOM 2110 O GLY C 33 -3.837 3.332 -1.263 1.00 0.00 O ATOM 0 H GLY C 33 -3.829 1.736 -3.109 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -3.773 4.466 -4.269 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -5.273 3.672 -3.832 1.00 0.00 H new ATOM 2114 N ILE C 34 -4.063 5.475 -1.934 1.00 0.00 N ATOM 2115 CA ILE C 34 -3.873 6.074 -0.624 1.00 0.00 C ATOM 2116 C ILE C 34 -4.919 7.159 -0.449 1.00 0.00 C ATOM 2117 O ILE C 34 -5.276 7.841 -1.410 1.00 0.00 O ATOM 2118 CB ILE C 34 -2.457 6.658 -0.521 1.00 0.00 C ATOM 2119 CG1 ILE C 34 -1.411 5.572 -0.801 1.00 0.00 C ATOM 2120 CG2 ILE C 34 -2.244 7.263 0.869 1.00 0.00 C ATOM 2121 CD1 ILE C 34 0.009 6.139 -0.851 1.00 0.00 C ATOM 0 H ILE C 34 -4.234 6.157 -2.673 1.00 0.00 H new ATOM 0 HA ILE C 34 -3.985 5.327 0.162 1.00 0.00 H new ATOM 0 HB ILE C 34 -2.342 7.444 -1.267 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -1.468 4.806 -0.027 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -1.640 5.085 -1.749 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -1.237 7.676 0.936 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -2.973 8.056 1.036 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -2.370 6.489 1.626 1.00 0.00 H new ATOM 0 HD11 ILE C 34 0.716 5.334 -1.052 1.00 0.00 H new ATOM 0 HD12 ILE C 34 0.075 6.885 -1.643 1.00 0.00 H new ATOM 0 HD13 ILE C 34 0.250 6.603 0.106 1.00 0.00 H new ATOM 2133 N ASN C 35 -5.413 7.332 0.776 1.00 0.00 N ATOM 2134 CA ASN C 35 -6.444 8.314 1.064 1.00 0.00 C ATOM 2135 C ASN C 35 -6.141 8.987 2.396 1.00 0.00 C ATOM 2136 O ASN C 35 -6.278 8.377 3.451 1.00 0.00 O ATOM 2137 CB ASN C 35 -7.801 7.609 1.067 1.00 0.00 C ATOM 2138 CG ASN C 35 -8.962 8.588 1.148 1.00 0.00 C ATOM 2139 OD1 ASN C 35 -8.773 9.800 1.182 1.00 0.00 O ATOM 2140 ND2 ASN C 35 -10.183 8.056 1.181 1.00 0.00 N ATOM 0 H ASN C 35 -5.109 6.796 1.589 1.00 0.00 H new ATOM 0 HA ASN C 35 -6.468 9.094 0.303 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -7.898 7.009 0.162 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -7.849 6.922 1.912 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -11.002 8.662 1.236 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -10.299 7.043 1.151 1.00 0.00 H new ATOM 2147 N ALA C 36 -5.725 10.254 2.331 1.00 0.00 N ATOM 2148 CA ALA C 36 -5.359 11.037 3.497 1.00 0.00 C ATOM 2149 C ALA C 36 -5.576 12.524 3.216 1.00 0.00 C ATOM 2150 O ALA C 36 -5.620 12.926 2.052 1.00 0.00 O ATOM 2151 CB ALA C 36 -3.886 10.776 3.807 1.00 0.00 C ATOM 0 H ALA C 36 -5.634 10.765 1.453 1.00 0.00 H new ATOM 0 HA ALA C 36 -5.978 10.752 4.348 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -3.590 11.356 4.681 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -3.739 9.715 4.008 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -3.277 11.071 2.953 1.00 0.00 H new ATOM 2157 N PRO C 37 -5.710 13.349 4.261 1.00 0.00 N ATOM 2158 CA PRO C 37 -5.806 14.794 4.129 1.00 0.00 C ATOM 2159 C PRO C 37 -4.507 15.371 3.568 1.00 0.00 C ATOM 2160 O PRO C 37 -3.436 14.799 3.770 1.00 0.00 O ATOM 2161 CB PRO C 37 -6.072 15.311 5.550 1.00 0.00 C ATOM 2162 CG PRO C 37 -5.569 14.200 6.469 1.00 0.00 C ATOM 2163 CD PRO C 37 -5.790 12.932 5.649 1.00 0.00 C ATOM 0 HA PRO C 37 -6.596 15.091 3.439 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -5.545 16.247 5.736 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -7.133 15.506 5.708 1.00 0.00 H new ATOM 0 HG2 PRO C 37 -4.518 14.335 6.724 1.00 0.00 H new ATOM 0 HG3 PRO C 37 -6.124 14.173 7.407 1.00 0.00 H new ATOM 0 HD2 PRO C 37 -5.034 12.180 5.877 1.00 0.00 H new ATOM 0 HD3 PRO C 37 -6.760 12.486 5.870 1.00 0.00 H new ATOM 2171 N LYS C 38 -4.584 16.501 2.858 1.00 0.00 N ATOM 2172 CA LYS C 38 -3.388 17.176 2.360 1.00 0.00 C ATOM 2173 C LYS C 38 -2.537 17.694 3.521 1.00 0.00 C ATOM 2174 O LYS C 38 -1.444 18.215 3.302 1.00 0.00 O ATOM 2175 CB LYS C 38 -3.772 18.329 1.431 1.00 0.00 C ATOM 2176 CG LYS C 38 -4.352 17.878 0.085 1.00 0.00 C ATOM 2177 CD LYS C 38 -3.355 17.035 -0.715 1.00 0.00 C ATOM 2178 CE LYS C 38 -3.563 17.245 -2.213 1.00 0.00 C ATOM 2179 NZ LYS C 38 -3.171 18.608 -2.631 1.00 0.00 N ATOM 0 H LYS C 38 -5.460 16.964 2.617 1.00 0.00 H new ATOM 0 HA LYS C 38 -2.799 16.453 1.795 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -4.502 18.961 1.936 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -2.891 18.944 1.248 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -5.260 17.300 0.257 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -4.637 18.753 -0.499 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -2.336 17.308 -0.441 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -3.480 15.981 -0.468 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -2.979 16.511 -2.768 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -4.610 17.074 -2.463 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -2.933 18.606 -3.643 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -3.961 19.263 -2.463 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -2.343 18.915 -2.081 1.00 0.00 H new ATOM 2193 N ASP C 39 -3.027 17.551 4.758 1.00 0.00 N ATOM 2194 CA ASP C 39 -2.279 17.877 5.965 1.00 0.00 C ATOM 2195 C ASP C 39 -1.097 16.925 6.147 1.00 0.00 C ATOM 2196 O ASP C 39 -0.272 17.119 7.038 1.00 0.00 O ATOM 2197 CB ASP C 39 -3.208 17.787 7.174 1.00 0.00 C ATOM 2198 CG ASP C 39 -4.238 18.912 7.168 1.00 0.00 C ATOM 2199 OD1 ASP C 39 -3.911 19.995 7.703 1.00 0.00 O ATOM 2200 OD2 ASP C 39 -5.341 18.682 6.632 1.00 0.00 O ATOM 0 H ASP C 39 -3.967 17.201 4.945 1.00 0.00 H new ATOM 0 HA ASP C 39 -1.889 18.891 5.873 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -3.719 16.824 7.172 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -2.620 17.834 8.091 1.00 0.00 H new ATOM 2205 N VAL C 40 -1.013 15.891 5.301 1.00 0.00 N ATOM 2206 CA VAL C 40 0.082 14.938 5.284 1.00 0.00 C ATOM 2207 C VAL C 40 0.459 14.670 3.828 1.00 0.00 C ATOM 2208 O VAL C 40 -0.295 15.013 2.919 1.00 0.00 O ATOM 2209 CB VAL C 40 -0.310 13.644 6.019 1.00 0.00 C ATOM 2210 CG1 VAL C 40 -0.820 13.945 7.429 1.00 0.00 C ATOM 2211 CG2 VAL C 40 -1.413 12.879 5.299 1.00 0.00 C ATOM 0 H VAL C 40 -1.725 15.697 4.597 1.00 0.00 H new ATOM 0 HA VAL C 40 0.946 15.346 5.809 1.00 0.00 H new ATOM 0 HB VAL C 40 0.596 13.039 6.051 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -1.090 13.013 7.925 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -0.038 14.447 7.999 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -1.696 14.591 7.369 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -1.653 11.974 5.858 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -2.302 13.506 5.224 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.075 12.608 4.299 1.00 0.00 H new ATOM 2221 N ALA C 41 1.621 14.059 3.592 1.00 0.00 N ATOM 2222 CA ALA C 41 2.123 13.877 2.241 1.00 0.00 C ATOM 2223 C ALA C 41 2.262 12.397 1.907 1.00 0.00 C ATOM 2224 O ALA C 41 2.398 11.567 2.804 1.00 0.00 O ATOM 2225 CB ALA C 41 3.464 14.602 2.108 1.00 0.00 C ATOM 0 H ALA C 41 2.227 13.684 4.322 1.00 0.00 H new ATOM 0 HA ALA C 41 1.414 14.301 1.530 1.00 0.00 H new ATOM 0 HB1 ALA C 41 3.850 14.471 1.097 1.00 0.00 H new ATOM 0 HB2 ALA C 41 3.325 15.664 2.309 1.00 0.00 H new ATOM 0 HB3 ALA C 41 4.174 14.187 2.823 1.00 0.00 H new ATOM 2231 N VAL C 42 2.233 12.068 0.612 1.00 0.00 N ATOM 2232 CA VAL C 42 2.361 10.692 0.151 1.00 0.00 C ATOM 2233 C VAL C 42 3.130 10.664 -1.168 1.00 0.00 C ATOM 2234 O VAL C 42 2.811 11.418 -2.085 1.00 0.00 O ATOM 2235 CB VAL C 42 0.972 10.051 -0.022 1.00 0.00 C ATOM 2236 CG1 VAL C 42 0.121 10.204 1.240 1.00 0.00 C ATOM 2237 CG2 VAL C 42 0.170 10.663 -1.174 1.00 0.00 C ATOM 0 H VAL C 42 2.120 12.749 -0.139 1.00 0.00 H new ATOM 0 HA VAL C 42 2.910 10.116 0.896 1.00 0.00 H new ATOM 0 HB VAL C 42 1.176 9.001 -0.234 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -0.852 9.740 1.081 1.00 0.00 H new ATOM 0 HG12 VAL C 42 0.622 9.719 2.078 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -0.014 11.263 1.462 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -0.799 10.169 -1.245 1.00 0.00 H new ATOM 0 HG22 VAL C 42 0.023 11.727 -0.990 1.00 0.00 H new ATOM 0 HG23 VAL C 42 0.715 10.529 -2.108 1.00 0.00 H new ATOM 2247 N HIS C 43 4.145 9.800 -1.278 1.00 0.00 N ATOM 2248 CA HIS C 43 4.884 9.640 -2.527 1.00 0.00 C ATOM 2249 C HIS C 43 5.593 8.294 -2.554 1.00 0.00 C ATOM 2250 O HIS C 43 5.693 7.614 -1.532 1.00 0.00 O ATOM 2251 CB HIS C 43 5.962 10.724 -2.700 1.00 0.00 C ATOM 2252 CG HIS C 43 5.611 12.114 -2.237 1.00 0.00 C ATOM 2253 ND1 HIS C 43 5.001 13.096 -3.023 1.00 0.00 N ATOM 2254 CD2 HIS C 43 5.847 12.619 -0.988 1.00 0.00 C ATOM 2255 CE1 HIS C 43 4.884 14.170 -2.226 1.00 0.00 C ATOM 2256 NE2 HIS C 43 5.381 13.911 -1.001 1.00 0.00 N ATOM 0 H HIS C 43 4.470 9.204 -0.517 1.00 0.00 H new ATOM 0 HA HIS C 43 4.152 9.718 -3.331 1.00 0.00 H new ATOM 0 HB2 HIS C 43 6.855 10.403 -2.164 1.00 0.00 H new ATOM 0 HB3 HIS C 43 6.226 10.775 -3.756 1.00 0.00 H new ATOM 0 HD1 HIS C 43 4.707 13.014 -3.996 1.00 0.00 H new ATOM 0 HD2 HIS C 43 6.308 12.105 -0.158 1.00 0.00 H new ATOM 0 HE1 HIS C 43 4.451 15.113 -2.526 1.00 0.00 H new ATOM 2264 N ARG C 44 6.094 7.903 -3.732 1.00 0.00 N ATOM 2265 CA ARG C 44 6.984 6.754 -3.839 1.00 0.00 C ATOM 2266 C ARG C 44 8.214 7.067 -2.988 1.00 0.00 C ATOM 2267 O ARG C 44 8.550 8.237 -2.821 1.00 0.00 O ATOM 2268 CB ARG C 44 7.378 6.554 -5.301 1.00 0.00 C ATOM 2269 CG ARG C 44 7.935 5.147 -5.538 1.00 0.00 C ATOM 2270 CD ARG C 44 8.834 5.120 -6.780 1.00 0.00 C ATOM 2271 NE ARG C 44 8.191 5.715 -7.958 1.00 0.00 N ATOM 2272 CZ ARG C 44 8.786 5.816 -9.153 1.00 0.00 C ATOM 2273 NH1 ARG C 44 10.016 5.344 -9.336 1.00 0.00 N ATOM 2274 NH2 ARG C 44 8.155 6.391 -10.170 1.00 0.00 N ATOM 0 H ARG C 44 5.896 8.367 -4.618 1.00 0.00 H new ATOM 0 HA ARG C 44 6.504 5.839 -3.492 1.00 0.00 H new ATOM 0 HB2 ARG C 44 6.510 6.716 -5.940 1.00 0.00 H new ATOM 0 HB3 ARG C 44 8.125 7.296 -5.584 1.00 0.00 H new ATOM 0 HG2 ARG C 44 8.503 4.824 -4.665 1.00 0.00 H new ATOM 0 HG3 ARG C 44 7.113 4.442 -5.663 1.00 0.00 H new ATOM 0 HD2 ARG C 44 9.758 5.656 -6.566 1.00 0.00 H new ATOM 0 HD3 ARG C 44 9.108 4.089 -7.003 1.00 0.00 H new ATOM 0 HE ARG C 44 7.240 6.071 -7.861 1.00 0.00 H new ATOM 0 HH11 ARG C 44 10.513 4.901 -8.563 1.00 0.00 H new ATOM 0 HH12 ARG C 44 10.463 5.425 -10.249 1.00 0.00 H new ATOM 0 HH21 ARG C 44 7.212 6.759 -10.043 1.00 0.00 H new ATOM 0 HH22 ARG C 44 8.613 6.465 -11.078 1.00 0.00 H new ATOM 2288 N GLU C 45 8.899 6.060 -2.452 1.00 0.00 N ATOM 2289 CA GLU C 45 10.058 6.319 -1.610 1.00 0.00 C ATOM 2290 C GLU C 45 11.176 7.025 -2.390 1.00 0.00 C ATOM 2291 O GLU C 45 12.018 7.688 -1.788 1.00 0.00 O ATOM 2292 CB GLU C 45 10.530 5.011 -0.972 1.00 0.00 C ATOM 2293 CG GLU C 45 11.632 5.307 0.044 1.00 0.00 C ATOM 2294 CD GLU C 45 11.939 4.097 0.915 1.00 0.00 C ATOM 2295 OE1 GLU C 45 11.250 3.951 1.949 1.00 0.00 O ATOM 2296 OE2 GLU C 45 12.859 3.333 0.543 1.00 0.00 O ATOM 0 H GLU C 45 8.675 5.074 -2.584 1.00 0.00 H new ATOM 0 HA GLU C 45 9.771 7.003 -0.811 1.00 0.00 H new ATOM 0 HB2 GLU C 45 9.694 4.511 -0.482 1.00 0.00 H new ATOM 0 HB3 GLU C 45 10.902 4.333 -1.740 1.00 0.00 H new ATOM 0 HG2 GLU C 45 12.536 5.616 -0.480 1.00 0.00 H new ATOM 0 HG3 GLU C 45 11.329 6.142 0.676 1.00 0.00 H new ATOM 2303 N GLU C 46 11.200 6.896 -3.718 1.00 0.00 N ATOM 2304 CA GLU C 46 12.176 7.612 -4.534 1.00 0.00 C ATOM 2305 C GLU C 46 11.833 9.098 -4.614 1.00 0.00 C ATOM 2306 O GLU C 46 12.724 9.937 -4.729 1.00 0.00 O ATOM 2307 CB GLU C 46 12.182 7.055 -5.959 1.00 0.00 C ATOM 2308 CG GLU C 46 12.541 5.571 -6.015 1.00 0.00 C ATOM 2309 CD GLU C 46 13.960 5.313 -5.509 1.00 0.00 C ATOM 2310 OE1 GLU C 46 14.900 5.480 -6.317 1.00 0.00 O ATOM 2311 OE2 GLU C 46 14.099 4.951 -4.320 1.00 0.00 O ATOM 0 H GLU C 46 10.558 6.306 -4.247 1.00 0.00 H new ATOM 0 HA GLU C 46 13.153 7.482 -4.068 1.00 0.00 H new ATOM 0 HB2 GLU C 46 11.199 7.203 -6.406 1.00 0.00 H new ATOM 0 HB3 GLU C 46 12.894 7.619 -6.561 1.00 0.00 H new ATOM 0 HG2 GLU C 46 11.831 5.002 -5.414 1.00 0.00 H new ATOM 0 HG3 GLU C 46 12.450 5.213 -7.040 1.00 0.00 H new ATOM 2318 N ILE C 47 10.537 9.422 -4.554 1.00 0.00 N ATOM 2319 CA ILE C 47 10.066 10.794 -4.657 1.00 0.00 C ATOM 2320 C ILE C 47 9.995 11.414 -3.265 1.00 0.00 C ATOM 2321 O ILE C 47 10.030 12.635 -3.124 1.00 0.00 O ATOM 2322 CB ILE C 47 8.696 10.809 -5.352 1.00 0.00 C ATOM 2323 CG1 ILE C 47 8.739 10.070 -6.698 1.00 0.00 C ATOM 2324 CG2 ILE C 47 8.216 12.247 -5.563 1.00 0.00 C ATOM 2325 CD1 ILE C 47 9.866 10.566 -7.605 1.00 0.00 C ATOM 0 H ILE C 47 9.791 8.737 -4.433 1.00 0.00 H new ATOM 0 HA ILE C 47 10.758 11.388 -5.255 1.00 0.00 H new ATOM 0 HB ILE C 47 7.993 10.289 -4.701 1.00 0.00 H new ATOM 0 HG12 ILE C 47 8.865 9.002 -6.518 1.00 0.00 H new ATOM 0 HG13 ILE C 47 7.784 10.197 -7.209 1.00 0.00 H new ATOM 0 HG21 ILE C 47 7.244 12.237 -6.057 1.00 0.00 H new ATOM 0 HG22 ILE C 47 8.128 12.747 -4.598 1.00 0.00 H new ATOM 0 HG23 ILE C 47 8.933 12.783 -6.185 1.00 0.00 H new ATOM 0 HD11 ILE C 47 9.850 10.010 -8.542 1.00 0.00 H new ATOM 0 HD12 ILE C 47 9.727 11.627 -7.810 1.00 0.00 H new ATOM 0 HD13 ILE C 47 10.825 10.415 -7.110 1.00 0.00 H new ATOM 2337 N TYR C 48 9.899 10.569 -2.238 1.00 0.00 N ATOM 2338 CA TYR C 48 9.913 11.006 -0.853 1.00 0.00 C ATOM 2339 C TYR C 48 11.229 11.709 -0.541 1.00 0.00 C ATOM 2340 O TYR C 48 11.281 12.598 0.308 1.00 0.00 O ATOM 2341 CB TYR C 48 9.768 9.769 0.035 1.00 0.00 C ATOM 2342 CG TYR C 48 9.874 10.075 1.505 1.00 0.00 C ATOM 2343 CD1 TYR C 48 8.790 10.640 2.190 1.00 0.00 C ATOM 2344 CD2 TYR C 48 11.070 9.799 2.180 1.00 0.00 C ATOM 2345 CE1 TYR C 48 8.894 10.927 3.556 1.00 0.00 C ATOM 2346 CE2 TYR C 48 11.186 10.089 3.542 1.00 0.00 C ATOM 2347 CZ TYR C 48 10.097 10.646 4.243 1.00 0.00 C ATOM 2348 OH TYR C 48 10.213 10.923 5.573 1.00 0.00 O ATOM 0 H TYR C 48 9.809 9.559 -2.350 1.00 0.00 H new ATOM 0 HA TYR C 48 9.096 11.704 -0.672 1.00 0.00 H new ATOM 0 HB2 TYR C 48 8.804 9.299 -0.163 1.00 0.00 H new ATOM 0 HB3 TYR C 48 10.537 9.045 -0.235 1.00 0.00 H new ATOM 0 HD1 TYR C 48 7.872 10.855 1.663 1.00 0.00 H new ATOM 0 HD2 TYR C 48 11.902 9.362 1.648 1.00 0.00 H new ATOM 0 HE1 TYR C 48 8.058 11.362 4.083 1.00 0.00 H new ATOM 0 HE2 TYR C 48 12.112 9.886 4.059 1.00 0.00 H new ATOM 0 HH TYR C 48 11.106 10.665 5.884 1.00 0.00 H new