USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=19 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= -1.06 K(o=-1.1,f=-2.5) 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= 0.3 USER MOD Set 2.2: C 21 THR OG1 : rot -78:sc= 0.3 USER MOD Set 3.1: A 11 SER OG : rot -85:sc= 0.161 USER MOD Set 3.2: A 21 THR OG1 : rot 180:sc= 0.148 USER MOD Set 4.1: A 13 ASN : amide:sc= -0.638 K(o=-0.64,f=-1.4) USER MOD Set 4.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -173:sc= -0.768 (180deg=-0.828) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.086 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.305 K(o=-0.3,f=-3.4) USER MOD Single : A 29 GLN : amide:sc= -0.654 K(o=-0.65,f=-1.3) USER MOD Single : A 35 ASN : amide:sc=-0.00242 K(o=-0.0024,f=-1.2) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -1.45 K(o=-1.5,f=-2.6) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl -156:sc= -0.944 (180deg=-2.82!) USER MOD Single : C 1 MET N :NH3+ -119:sc= 0.0203 (180deg=-0.207) 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 5:sc= 0.207 USER MOD Single : C 28 GLN : amide:sc= -0.928 X(o=-0.93,f=-0.98) USER MOD Single : C 29 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.2) USER MOD Single : C 35 ASN : amide:sc= -0.0129 K(o=-0.013,f=-1.5!) USER MOD Single : C 38 LYS NZ :NH3+ -153:sc= -0.114 (180deg=-0.651) USER MOD Single : C 43 HIS : no HE2:sc= -1.65 K(o=-1.6,f=-2.7) USER MOD Single : C 48 TYR OH : rot -32:sc= 0.972 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.765 10.334 -3.841 1.00 0.00 N ATOM 2 CA MET A 1 -7.723 9.317 -3.610 1.00 0.00 C ATOM 3 C MET A 1 -6.497 9.568 -4.485 1.00 0.00 C ATOM 4 O MET A 1 -6.590 10.278 -5.486 1.00 0.00 O ATOM 5 CB MET A 1 -8.280 7.916 -3.868 1.00 0.00 C ATOM 6 CG MET A 1 -7.283 6.879 -3.353 1.00 0.00 C ATOM 7 SD MET A 1 -8.001 5.314 -2.807 1.00 0.00 S ATOM 8 CE MET A 1 -8.212 4.553 -4.426 1.00 0.00 C ATOM 0 H1 MET A 1 -8.877 10.917 -2.987 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.488 10.940 -4.640 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.667 9.864 -4.059 1.00 0.00 H new ATOM 0 HA MET A 1 -7.412 9.389 -2.568 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.241 7.795 -3.367 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.456 7.772 -4.934 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.561 6.671 -4.143 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.729 7.315 -2.521 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.762 3.618 -4.320 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.768 5.229 -5.076 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.234 4.351 -4.863 1.00 0.00 H new ATOM 20 N LEU A 2 -5.354 8.987 -4.105 1.00 0.00 N ATOM 21 CA LEU A 2 -4.107 9.070 -4.852 1.00 0.00 C ATOM 22 C LEU A 2 -3.694 7.642 -5.216 1.00 0.00 C ATOM 23 O LEU A 2 -3.635 6.780 -4.341 1.00 0.00 O ATOM 24 CB LEU A 2 -3.088 9.795 -3.969 1.00 0.00 C ATOM 25 CG LEU A 2 -1.723 10.088 -4.604 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.800 8.876 -4.524 1.00 0.00 C ATOM 27 CD2 LEU A 2 -1.846 10.539 -6.060 1.00 0.00 C ATOM 0 H LEU A 2 -5.275 8.436 -3.251 1.00 0.00 H new ATOM 0 HA LEU A 2 -4.193 9.633 -5.781 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.525 10.740 -3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -2.926 9.197 -3.072 1.00 0.00 H new ATOM 0 HG LEU A 2 -1.290 10.906 -4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.159 9.118 -4.983 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.644 8.606 -3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -1.254 8.037 -5.052 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.853 10.734 -6.465 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -2.329 9.755 -6.644 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.444 11.449 -6.110 1.00 0.00 H new ATOM 39 N ILE A 3 -3.414 7.394 -6.500 1.00 0.00 N ATOM 40 CA ILE A 3 -3.193 6.055 -7.029 1.00 0.00 C ATOM 41 C ILE A 3 -1.914 6.033 -7.851 1.00 0.00 C ATOM 42 O ILE A 3 -1.611 6.985 -8.566 1.00 0.00 O ATOM 43 CB ILE A 3 -4.371 5.631 -7.922 1.00 0.00 C ATOM 44 CG1 ILE A 3 -5.680 5.489 -7.146 1.00 0.00 C ATOM 45 CG2 ILE A 3 -4.107 4.262 -8.550 1.00 0.00 C ATOM 46 CD1 ILE A 3 -6.391 6.824 -7.010 1.00 0.00 C ATOM 0 H ILE A 3 -3.335 8.128 -7.203 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.109 5.361 -6.193 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.462 6.418 -8.671 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.331 4.778 -7.655 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.475 5.081 -6.156 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.952 3.981 -9.178 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.203 4.309 -9.158 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.977 3.520 -7.763 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.318 6.687 -6.453 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.748 7.526 -6.478 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.618 7.218 -8.001 1.00 0.00 H new ATOM 58 N LEU A 4 -1.168 4.933 -7.737 1.00 0.00 N ATOM 59 CA LEU A 4 0.041 4.714 -8.507 1.00 0.00 C ATOM 60 C LEU A 4 0.408 3.233 -8.516 1.00 0.00 C ATOM 61 O LEU A 4 -0.174 2.445 -7.769 1.00 0.00 O ATOM 62 CB LEU A 4 1.170 5.607 -7.970 1.00 0.00 C ATOM 63 CG LEU A 4 1.235 5.771 -6.445 1.00 0.00 C ATOM 64 CD1 LEU A 4 1.700 4.503 -5.742 1.00 0.00 C ATOM 65 CD2 LEU A 4 2.225 6.895 -6.146 1.00 0.00 C ATOM 0 H LEU A 4 -1.394 4.168 -7.101 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.127 4.997 -9.546 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.121 5.200 -8.312 1.00 0.00 H new ATOM 0 HB3 LEU A 4 1.067 6.596 -8.417 1.00 0.00 H new ATOM 0 HG LEU A 4 0.234 5.995 -6.076 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.728 4.673 -4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.008 3.690 -5.963 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.697 4.237 -6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.297 7.040 -5.068 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.205 6.631 -6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.880 7.817 -6.614 1.00 0.00 H new ATOM 77 N THR A 5 1.372 2.849 -9.354 1.00 0.00 N ATOM 78 CA THR A 5 1.851 1.471 -9.401 1.00 0.00 C ATOM 79 C THR A 5 3.246 1.379 -8.809 1.00 0.00 C ATOM 80 O THR A 5 4.012 2.342 -8.827 1.00 0.00 O ATOM 81 CB THR A 5 1.913 0.921 -10.829 1.00 0.00 C ATOM 82 OG1 THR A 5 2.517 1.853 -11.698 1.00 0.00 O ATOM 83 CG2 THR A 5 0.540 0.533 -11.371 1.00 0.00 C ATOM 0 H THR A 5 1.836 3.477 -10.010 1.00 0.00 H new ATOM 0 HA THR A 5 1.139 0.880 -8.825 1.00 0.00 H new ATOM 0 HB THR A 5 2.518 0.016 -10.783 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.549 1.482 -12.605 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.645 0.150 -12.386 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.102 -0.237 -10.736 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.109 1.409 -11.379 1.00 0.00 H new ATOM 91 N ARG A 6 3.557 0.193 -8.287 1.00 0.00 N ATOM 92 CA ARG A 6 4.856 -0.168 -7.747 1.00 0.00 C ATOM 93 C ARG A 6 5.110 -1.630 -8.079 1.00 0.00 C ATOM 94 O ARG A 6 4.178 -2.348 -8.444 1.00 0.00 O ATOM 95 CB ARG A 6 4.860 0.015 -6.224 1.00 0.00 C ATOM 96 CG ARG A 6 4.909 1.481 -5.777 1.00 0.00 C ATOM 97 CD ARG A 6 6.341 2.017 -5.745 1.00 0.00 C ATOM 98 NE ARG A 6 6.987 1.929 -7.056 1.00 0.00 N ATOM 99 CZ ARG A 6 6.934 2.870 -7.999 1.00 0.00 C ATOM 100 NH1 ARG A 6 6.245 3.992 -7.807 1.00 0.00 N ATOM 101 NH2 ARG A 6 7.584 2.680 -9.142 1.00 0.00 N ATOM 0 H ARG A 6 2.881 -0.568 -8.229 1.00 0.00 H new ATOM 0 HA ARG A 6 5.631 0.467 -8.177 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.967 -0.452 -5.809 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.718 -0.511 -5.806 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.309 2.088 -6.455 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.464 1.574 -4.786 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.333 3.055 -5.414 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.923 1.454 -5.015 1.00 0.00 H new ATOM 0 HE ARG A 6 7.518 1.083 -7.264 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.748 4.141 -6.929 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.214 4.703 -8.538 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.115 1.822 -9.290 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.552 3.392 -9.872 1.00 0.00 H new ATOM 115 N LYS A 7 6.359 -2.078 -7.952 1.00 0.00 N ATOM 116 CA LYS A 7 6.680 -3.481 -8.171 1.00 0.00 C ATOM 117 C LYS A 7 7.268 -4.099 -6.920 1.00 0.00 C ATOM 118 O LYS A 7 7.747 -3.391 -6.034 1.00 0.00 O ATOM 119 CB LYS A 7 7.618 -3.706 -9.362 1.00 0.00 C ATOM 120 CG LYS A 7 6.911 -3.498 -10.692 1.00 0.00 C ATOM 121 CD LYS A 7 7.555 -4.357 -11.775 1.00 0.00 C ATOM 122 CE LYS A 7 8.976 -3.884 -12.065 1.00 0.00 C ATOM 123 NZ LYS A 7 9.555 -4.634 -13.191 1.00 0.00 N ATOM 0 H LYS A 7 7.156 -1.493 -7.701 1.00 0.00 H new ATOM 0 HA LYS A 7 5.738 -3.975 -8.412 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.464 -3.023 -9.291 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.021 -4.718 -9.320 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.856 -3.754 -10.595 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.959 -2.447 -10.976 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.571 -5.400 -11.457 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.958 -4.311 -12.686 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.970 -2.819 -12.296 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.596 -4.014 -11.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 10.522 -4.297 -13.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.580 -5.647 -12.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.973 -4.489 -14.041 1.00 0.00 H new ATOM 137 N VAL A 8 7.228 -5.431 -6.859 1.00 0.00 N ATOM 138 CA VAL A 8 7.657 -6.163 -5.674 1.00 0.00 C ATOM 139 C VAL A 8 9.089 -5.784 -5.299 1.00 0.00 C ATOM 140 O VAL A 8 10.015 -5.941 -6.090 1.00 0.00 O ATOM 141 CB VAL A 8 7.468 -7.673 -5.852 1.00 0.00 C ATOM 142 CG1 VAL A 8 5.981 -7.962 -6.075 1.00 0.00 C ATOM 143 CG2 VAL A 8 8.241 -8.260 -7.031 1.00 0.00 C ATOM 0 H VAL A 8 6.901 -6.024 -7.622 1.00 0.00 H new ATOM 0 HA VAL A 8 7.021 -5.875 -4.837 1.00 0.00 H new ATOM 0 HB VAL A 8 7.854 -8.139 -4.946 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.834 -9.034 -6.203 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.410 -7.618 -5.213 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.639 -7.440 -6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.055 -9.332 -7.090 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.913 -7.784 -7.955 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.307 -8.084 -6.891 1.00 0.00 H new ATOM 153 N GLY A 9 9.256 -5.283 -4.072 1.00 0.00 N ATOM 154 CA GLY A 9 10.546 -4.887 -3.529 1.00 0.00 C ATOM 155 C GLY A 9 10.669 -3.373 -3.359 1.00 0.00 C ATOM 156 O GLY A 9 11.539 -2.917 -2.619 1.00 0.00 O ATOM 0 H GLY A 9 8.482 -5.141 -3.422 1.00 0.00 H new ATOM 0 HA2 GLY A 9 10.694 -5.371 -2.564 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.338 -5.241 -4.188 1.00 0.00 H new ATOM 160 N GLU A 10 9.817 -2.586 -4.025 1.00 0.00 N ATOM 161 CA GLU A 10 9.853 -1.134 -3.912 1.00 0.00 C ATOM 162 C GLU A 10 9.125 -0.659 -2.656 1.00 0.00 C ATOM 163 O GLU A 10 8.535 -1.457 -1.929 1.00 0.00 O ATOM 164 CB GLU A 10 9.226 -0.487 -5.150 1.00 0.00 C ATOM 165 CG GLU A 10 10.062 -0.773 -6.394 1.00 0.00 C ATOM 166 CD GLU A 10 9.576 0.081 -7.560 1.00 0.00 C ATOM 167 OE1 GLU A 10 8.455 -0.189 -8.046 1.00 0.00 O ATOM 168 OE2 GLU A 10 10.329 0.998 -7.953 1.00 0.00 O ATOM 0 H GLU A 10 9.092 -2.938 -4.650 1.00 0.00 H new ATOM 0 HA GLU A 10 10.898 -0.832 -3.839 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.214 -0.867 -5.291 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.144 0.590 -5.001 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.112 -0.563 -6.192 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.993 -1.829 -6.653 1.00 0.00 H new ATOM 175 N SER A 11 9.170 0.658 -2.406 1.00 0.00 N ATOM 176 CA SER A 11 8.606 1.248 -1.199 1.00 0.00 C ATOM 177 C SER A 11 7.878 2.554 -1.498 1.00 0.00 C ATOM 178 O SER A 11 7.978 3.112 -2.592 1.00 0.00 O ATOM 179 CB SER A 11 9.722 1.496 -0.185 1.00 0.00 C ATOM 180 OG SER A 11 10.325 0.277 0.195 1.00 0.00 O ATOM 0 H SER A 11 9.598 1.336 -3.037 1.00 0.00 H new ATOM 0 HA SER A 11 7.877 0.549 -0.788 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.471 2.161 -0.615 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.318 1.998 0.694 1.00 0.00 H new ATOM 0 HG SER A 11 9.807 -0.132 0.919 1.00 0.00 H new ATOM 186 N ILE A 12 7.137 3.035 -0.496 1.00 0.00 N ATOM 187 CA ILE A 12 6.327 4.245 -0.553 1.00 0.00 C ATOM 188 C ILE A 12 6.417 4.915 0.817 1.00 0.00 C ATOM 189 O ILE A 12 6.933 4.315 1.759 1.00 0.00 O ATOM 190 CB ILE A 12 4.867 3.872 -0.892 1.00 0.00 C ATOM 191 CG1 ILE A 12 4.812 2.855 -2.041 1.00 0.00 C ATOM 192 CG2 ILE A 12 4.033 5.102 -1.267 1.00 0.00 C ATOM 193 CD1 ILE A 12 3.374 2.489 -2.397 1.00 0.00 C ATOM 0 H ILE A 12 7.086 2.571 0.411 1.00 0.00 H new ATOM 0 HA ILE A 12 6.683 4.927 -1.325 1.00 0.00 H new ATOM 0 HB ILE A 12 4.442 3.428 0.008 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.311 3.268 -2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.358 1.955 -1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.013 4.794 -1.498 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.020 5.802 -0.431 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.472 5.587 -2.139 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.374 1.767 -3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.884 2.052 -1.527 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.836 3.386 -2.705 1.00 0.00 H new ATOM 205 N ASN A 13 5.928 6.149 0.948 1.00 0.00 N ATOM 206 CA ASN A 13 5.999 6.875 2.211 1.00 0.00 C ATOM 207 C ASN A 13 4.715 7.666 2.455 1.00 0.00 C ATOM 208 O ASN A 13 4.053 8.082 1.504 1.00 0.00 O ATOM 209 CB ASN A 13 7.212 7.809 2.192 1.00 0.00 C ATOM 210 CG ASN A 13 7.560 8.280 3.597 1.00 0.00 C ATOM 211 OD1 ASN A 13 6.970 9.224 4.109 1.00 0.00 O ATOM 212 ND2 ASN A 13 8.529 7.615 4.219 1.00 0.00 N ATOM 0 H ASN A 13 5.478 6.665 0.192 1.00 0.00 H new ATOM 0 HA ASN A 13 6.109 6.160 3.026 1.00 0.00 H new ATOM 0 HB2 ASN A 13 8.067 7.292 1.756 1.00 0.00 H new ATOM 0 HB3 ASN A 13 7.003 8.670 1.557 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.809 7.885 5.162 1.00 0.00 H new ATOM 0 HD22 ASN A 13 8.992 6.835 3.753 1.00 0.00 H new ATOM 219 N ILE A 14 4.368 7.871 3.732 1.00 0.00 N ATOM 220 CA ILE A 14 3.156 8.577 4.131 1.00 0.00 C ATOM 221 C ILE A 14 3.397 9.367 5.418 1.00 0.00 C ATOM 222 O ILE A 14 4.104 8.912 6.312 1.00 0.00 O ATOM 223 CB ILE A 14 2.015 7.567 4.362 1.00 0.00 C ATOM 224 CG1 ILE A 14 1.739 6.754 3.088 1.00 0.00 C ATOM 225 CG2 ILE A 14 0.750 8.310 4.809 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.620 5.732 3.285 1.00 0.00 C ATOM 0 H ILE A 14 4.929 7.547 4.520 1.00 0.00 H new ATOM 0 HA ILE A 14 2.880 9.268 3.334 1.00 0.00 H new ATOM 0 HB ILE A 14 2.316 6.871 5.145 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.471 7.432 2.278 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.650 6.238 2.784 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.055 7.593 4.971 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.951 8.846 5.737 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.453 9.020 4.037 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.462 5.182 2.357 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.898 5.036 4.076 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.299 6.248 3.562 1.00 0.00 H new ATOM 238 N GLY A 15 2.793 10.559 5.503 1.00 0.00 N ATOM 239 CA GLY A 15 2.772 11.369 6.714 1.00 0.00 C ATOM 240 C GLY A 15 4.149 11.723 7.273 1.00 0.00 C ATOM 241 O GLY A 15 4.235 12.188 8.410 1.00 0.00 O ATOM 0 H GLY A 15 2.301 10.988 4.719 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.231 12.293 6.507 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.210 10.836 7.481 1.00 0.00 H new ATOM 245 N ASP A 16 5.218 11.508 6.497 1.00 0.00 N ATOM 246 CA ASP A 16 6.591 11.781 6.902 1.00 0.00 C ATOM 247 C ASP A 16 7.024 11.022 8.166 1.00 0.00 C ATOM 248 O ASP A 16 8.084 11.307 8.724 1.00 0.00 O ATOM 249 CB ASP A 16 6.782 13.299 7.027 1.00 0.00 C ATOM 250 CG ASP A 16 8.256 13.684 7.105 1.00 0.00 C ATOM 251 OD1 ASP A 16 9.007 13.265 6.197 1.00 0.00 O ATOM 252 OD2 ASP A 16 8.622 14.391 8.070 1.00 0.00 O ATOM 0 H ASP A 16 5.145 11.132 5.552 1.00 0.00 H new ATOM 0 HA ASP A 16 7.255 11.400 6.126 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.323 13.794 6.171 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.266 13.657 7.918 1.00 0.00 H new ATOM 257 N ASP A 17 6.222 10.056 8.628 1.00 0.00 N ATOM 258 CA ASP A 17 6.554 9.219 9.779 1.00 0.00 C ATOM 259 C ASP A 17 6.141 7.766 9.529 1.00 0.00 C ATOM 260 O ASP A 17 6.253 6.936 10.429 1.00 0.00 O ATOM 261 CB ASP A 17 5.886 9.728 11.064 1.00 0.00 C ATOM 262 CG ASP A 17 6.324 11.141 11.436 1.00 0.00 C ATOM 263 OD1 ASP A 17 7.508 11.301 11.811 1.00 0.00 O ATOM 264 OD2 ASP A 17 5.471 12.052 11.345 1.00 0.00 O ATOM 0 H ASP A 17 5.319 9.834 8.209 1.00 0.00 H new ATOM 0 HA ASP A 17 7.635 9.271 9.911 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.804 9.709 10.938 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.123 9.051 11.885 1.00 0.00 H new ATOM 269 N ILE A 18 5.665 7.455 8.324 1.00 0.00 N ATOM 270 CA ILE A 18 5.243 6.112 7.967 1.00 0.00 C ATOM 271 C ILE A 18 5.863 5.744 6.628 1.00 0.00 C ATOM 272 O ILE A 18 6.039 6.598 5.757 1.00 0.00 O ATOM 273 CB ILE A 18 3.711 6.018 7.894 1.00 0.00 C ATOM 274 CG1 ILE A 18 3.036 6.402 9.220 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.300 4.590 7.521 1.00 0.00 C ATOM 276 CD1 ILE A 18 2.660 7.884 9.236 1.00 0.00 C ATOM 0 H ILE A 18 5.563 8.134 7.569 1.00 0.00 H new ATOM 0 HA ILE A 18 5.579 5.414 8.734 1.00 0.00 H new ATOM 0 HB ILE A 18 3.381 6.726 7.134 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.142 5.795 9.366 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.708 6.185 10.050 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.213 4.526 7.470 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.725 4.331 6.551 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.669 3.896 8.276 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.184 8.128 10.186 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.559 8.489 9.114 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.969 8.093 8.420 1.00 0.00 H new ATOM 288 N THR A 19 6.191 4.461 6.465 1.00 0.00 N ATOM 289 CA THR A 19 6.776 3.945 5.242 1.00 0.00 C ATOM 290 C THR A 19 6.085 2.628 4.918 1.00 0.00 C ATOM 291 O THR A 19 5.627 1.930 5.823 1.00 0.00 O ATOM 292 CB THR A 19 8.285 3.754 5.431 1.00 0.00 C ATOM 293 OG1 THR A 19 8.855 4.893 6.035 1.00 0.00 O ATOM 294 CG2 THR A 19 8.987 3.549 4.091 1.00 0.00 C ATOM 0 H THR A 19 6.055 3.753 7.186 1.00 0.00 H new ATOM 0 HA THR A 19 6.636 4.641 4.415 1.00 0.00 H new ATOM 0 HB THR A 19 8.417 2.875 6.062 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.818 4.755 6.150 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.056 3.416 4.257 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.583 2.663 3.600 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.824 4.421 3.458 1.00 0.00 H new ATOM 302 N ILE A 20 6.009 2.291 3.634 1.00 0.00 N ATOM 303 CA ILE A 20 5.310 1.109 3.149 1.00 0.00 C ATOM 304 C ILE A 20 6.222 0.395 2.159 1.00 0.00 C ATOM 305 O ILE A 20 7.015 1.041 1.485 1.00 0.00 O ATOM 306 CB ILE A 20 4.004 1.530 2.453 1.00 0.00 C ATOM 307 CG1 ILE A 20 3.116 2.426 3.327 1.00 0.00 C ATOM 308 CG2 ILE A 20 3.207 0.303 1.999 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.530 1.693 4.534 1.00 0.00 C ATOM 0 H ILE A 20 6.439 2.841 2.891 1.00 0.00 H new ATOM 0 HA ILE A 20 5.063 0.445 3.977 1.00 0.00 H new ATOM 0 HB ILE A 20 4.303 2.117 1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.700 3.278 3.675 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.302 2.824 2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.288 0.627 1.510 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.805 -0.280 1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.960 -0.311 2.865 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.912 2.380 5.112 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.920 0.857 4.191 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.340 1.318 5.160 1.00 0.00 H new ATOM 321 N THR A 21 6.113 -0.932 2.070 1.00 0.00 N ATOM 322 CA THR A 21 6.935 -1.714 1.160 1.00 0.00 C ATOM 323 C THR A 21 6.119 -2.874 0.606 1.00 0.00 C ATOM 324 O THR A 21 5.580 -3.672 1.369 1.00 0.00 O ATOM 325 CB THR A 21 8.165 -2.249 1.904 1.00 0.00 C ATOM 326 OG1 THR A 21 8.834 -1.192 2.559 1.00 0.00 O ATOM 327 CG2 THR A 21 9.145 -2.916 0.941 1.00 0.00 C ATOM 0 H THR A 21 5.458 -1.485 2.623 1.00 0.00 H new ATOM 0 HA THR A 21 7.265 -1.082 0.336 1.00 0.00 H new ATOM 0 HB THR A 21 7.816 -2.984 2.629 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.617 -1.544 3.032 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.007 -3.285 1.497 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.652 -3.749 0.440 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.476 -2.190 0.198 1.00 0.00 H new ATOM 335 N ILE A 22 6.030 -2.973 -0.719 1.00 0.00 N ATOM 336 CA ILE A 22 5.355 -4.083 -1.377 1.00 0.00 C ATOM 337 C ILE A 22 6.292 -5.292 -1.334 1.00 0.00 C ATOM 338 O ILE A 22 7.162 -5.445 -2.189 1.00 0.00 O ATOM 339 CB ILE A 22 4.926 -3.673 -2.796 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.489 -4.874 -3.643 1.00 0.00 C ATOM 341 CG2 ILE A 22 6.022 -2.919 -3.549 1.00 0.00 C ATOM 342 CD1 ILE A 22 3.396 -5.679 -2.952 1.00 0.00 C ATOM 0 H ILE A 22 6.424 -2.287 -1.363 1.00 0.00 H new ATOM 0 HA ILE A 22 4.433 -4.359 -0.865 1.00 0.00 H new ATOM 0 HB ILE A 22 4.076 -3.007 -2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.128 -4.526 -4.611 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.348 -5.516 -3.835 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.664 -2.655 -4.544 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.280 -2.011 -3.003 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.905 -3.553 -3.637 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.112 -6.522 -3.582 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.766 -6.049 -1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.527 -5.043 -2.783 1.00 0.00 H new ATOM 354 N LEU A 23 6.116 -6.159 -0.332 1.00 0.00 N ATOM 355 CA LEU A 23 7.038 -7.264 -0.095 1.00 0.00 C ATOM 356 C LEU A 23 6.945 -8.331 -1.181 1.00 0.00 C ATOM 357 O LEU A 23 7.931 -9.018 -1.445 1.00 0.00 O ATOM 358 CB LEU A 23 6.775 -7.897 1.274 1.00 0.00 C ATOM 359 CG LEU A 23 6.736 -6.878 2.416 1.00 0.00 C ATOM 360 CD1 LEU A 23 6.744 -7.607 3.758 1.00 0.00 C ATOM 361 CD2 LEU A 23 7.936 -5.940 2.400 1.00 0.00 C ATOM 0 H LEU A 23 5.339 -6.113 0.328 1.00 0.00 H new ATOM 0 HA LEU A 23 8.046 -6.850 -0.118 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.826 -8.433 1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.551 -8.634 1.481 1.00 0.00 H new ATOM 0 HG LEU A 23 5.827 -6.292 2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.716 -6.878 4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.871 -8.257 3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.650 -8.207 3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.860 -5.237 3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.853 -6.521 2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.955 -5.390 1.459 1.00 0.00 H new ATOM 373 N GLY A 24 5.781 -8.477 -1.819 1.00 0.00 N ATOM 374 CA GLY A 24 5.638 -9.435 -2.905 1.00 0.00 C ATOM 375 C GLY A 24 4.180 -9.708 -3.254 1.00 0.00 C ATOM 376 O GLY A 24 3.268 -9.109 -2.678 1.00 0.00 O ATOM 0 H GLY A 24 4.936 -7.948 -1.602 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.155 -9.059 -3.788 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.123 -10.371 -2.626 1.00 0.00 H new ATOM 380 N VAL A 25 3.967 -10.628 -4.201 1.00 0.00 N ATOM 381 CA VAL A 25 2.628 -11.065 -4.576 1.00 0.00 C ATOM 382 C VAL A 25 2.540 -12.587 -4.545 1.00 0.00 C ATOM 383 O VAL A 25 3.551 -13.288 -4.563 1.00 0.00 O ATOM 384 CB VAL A 25 2.239 -10.552 -5.969 1.00 0.00 C ATOM 385 CG1 VAL A 25 2.424 -9.039 -6.066 1.00 0.00 C ATOM 386 CG2 VAL A 25 3.039 -11.261 -7.065 1.00 0.00 C ATOM 0 H VAL A 25 4.715 -11.085 -4.723 1.00 0.00 H new ATOM 0 HA VAL A 25 1.930 -10.646 -3.851 1.00 0.00 H new ATOM 0 HB VAL A 25 1.184 -10.779 -6.120 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.141 -8.701 -7.063 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.795 -8.547 -5.324 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.468 -8.787 -5.880 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.741 -10.876 -8.040 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.103 -11.080 -6.913 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.843 -12.332 -7.023 1.00 0.00 H new ATOM 396 N SER A 26 1.304 -13.081 -4.497 1.00 0.00 N ATOM 397 CA SER A 26 0.968 -14.494 -4.535 1.00 0.00 C ATOM 398 C SER A 26 -0.415 -14.596 -5.166 1.00 0.00 C ATOM 399 O SER A 26 -1.408 -14.833 -4.476 1.00 0.00 O ATOM 400 CB SER A 26 0.981 -15.095 -3.131 1.00 0.00 C ATOM 401 OG SER A 26 2.289 -15.087 -2.596 1.00 0.00 O ATOM 0 H SER A 26 0.482 -12.481 -4.428 1.00 0.00 H new ATOM 0 HA SER A 26 1.700 -15.055 -5.117 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.314 -14.529 -2.481 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.602 -16.117 -3.164 1.00 0.00 H new ATOM 0 HG SER A 26 2.277 -15.474 -1.696 1.00 0.00 H new ATOM 407 N GLY A 27 -0.487 -14.409 -6.484 1.00 0.00 N ATOM 408 CA GLY A 27 -1.766 -14.357 -7.166 1.00 0.00 C ATOM 409 C GLY A 27 -2.442 -13.042 -6.808 1.00 0.00 C ATOM 410 O GLY A 27 -1.781 -12.007 -6.732 1.00 0.00 O ATOM 0 H GLY A 27 0.324 -14.292 -7.092 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.625 -14.431 -8.244 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.390 -15.199 -6.868 1.00 0.00 H new ATOM 414 N GLN A 28 -3.759 -13.063 -6.587 1.00 0.00 N ATOM 415 CA GLN A 28 -4.454 -11.858 -6.167 1.00 0.00 C ATOM 416 C GLN A 28 -4.041 -11.427 -4.762 1.00 0.00 C ATOM 417 O GLN A 28 -4.369 -10.310 -4.363 1.00 0.00 O ATOM 418 CB GLN A 28 -5.968 -12.050 -6.193 1.00 0.00 C ATOM 419 CG GLN A 28 -6.502 -12.363 -7.588 1.00 0.00 C ATOM 420 CD GLN A 28 -5.898 -11.478 -8.675 1.00 0.00 C ATOM 421 OE1 GLN A 28 -5.802 -10.266 -8.525 1.00 0.00 O ATOM 422 NE2 GLN A 28 -5.477 -12.077 -9.787 1.00 0.00 N ATOM 0 H GLN A 28 -4.350 -13.888 -6.691 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.173 -11.080 -6.877 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.238 -12.860 -5.516 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.450 -11.147 -5.819 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.297 -13.407 -7.823 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.585 -12.243 -7.591 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.568 -13.088 -9.888 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.063 -11.525 -10.538 1.00 0.00 H new ATOM 431 N GLN A 29 -3.334 -12.287 -4.013 1.00 0.00 N ATOM 432 CA GLN A 29 -2.875 -11.933 -2.685 1.00 0.00 C ATOM 433 C GLN A 29 -1.621 -11.077 -2.821 1.00 0.00 C ATOM 434 O GLN A 29 -0.854 -11.236 -3.773 1.00 0.00 O ATOM 435 CB GLN A 29 -2.584 -13.203 -1.878 1.00 0.00 C ATOM 436 CG GLN A 29 -2.613 -12.911 -0.374 1.00 0.00 C ATOM 437 CD GLN A 29 -3.970 -13.221 0.249 1.00 0.00 C ATOM 438 OE1 GLN A 29 -4.614 -12.350 0.820 1.00 0.00 O ATOM 439 NE2 GLN A 29 -4.412 -14.471 0.136 1.00 0.00 N ATOM 0 H GLN A 29 -3.075 -13.226 -4.314 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.643 -11.368 -2.156 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.321 -13.969 -2.119 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.608 -13.601 -2.157 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.844 -13.502 0.124 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.369 -11.862 -0.205 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.847 -15.170 -0.347 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.315 -14.730 0.532 1.00 0.00 H new ATOM 448 N VAL A 30 -1.401 -10.165 -1.874 1.00 0.00 N ATOM 449 CA VAL A 30 -0.284 -9.240 -1.918 1.00 0.00 C ATOM 450 C VAL A 30 0.254 -9.069 -0.506 1.00 0.00 C ATOM 451 O VAL A 30 -0.487 -8.641 0.383 1.00 0.00 O ATOM 452 CB VAL A 30 -0.784 -7.900 -2.475 1.00 0.00 C ATOM 453 CG1 VAL A 30 0.360 -6.904 -2.604 1.00 0.00 C ATOM 454 CG2 VAL A 30 -1.403 -8.069 -3.860 1.00 0.00 C ATOM 0 H VAL A 30 -1.998 -10.052 -1.055 1.00 0.00 H new ATOM 0 HA VAL A 30 0.514 -9.614 -2.559 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.533 -7.533 -1.773 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.020 -5.963 -3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.805 -6.732 -1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.116 -7.304 -3.280 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.747 -7.101 -4.225 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.657 -8.471 -4.545 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.248 -8.755 -3.800 1.00 0.00 H new ATOM 464 N ARG A 31 1.530 -9.399 -0.287 1.00 0.00 N ATOM 465 CA ARG A 31 2.132 -9.237 1.027 1.00 0.00 C ATOM 466 C ARG A 31 2.753 -7.850 1.093 1.00 0.00 C ATOM 467 O ARG A 31 3.447 -7.431 0.164 1.00 0.00 O ATOM 468 CB ARG A 31 3.172 -10.327 1.300 1.00 0.00 C ATOM 469 CG ARG A 31 3.479 -10.385 2.801 1.00 0.00 C ATOM 470 CD ARG A 31 4.514 -11.461 3.152 1.00 0.00 C ATOM 471 NE ARG A 31 4.180 -12.751 2.546 1.00 0.00 N ATOM 472 CZ ARG A 31 3.205 -13.563 2.969 1.00 0.00 C ATOM 473 NH1 ARG A 31 2.489 -13.273 4.047 1.00 0.00 N ATOM 474 NH2 ARG A 31 2.948 -14.681 2.302 1.00 0.00 N ATOM 0 H ARG A 31 2.156 -9.776 -0.999 1.00 0.00 H new ATOM 0 HA ARG A 31 1.369 -9.337 1.799 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.799 -11.292 0.958 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.084 -10.121 0.740 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.846 -9.413 3.131 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.557 -10.581 3.349 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.499 -11.143 2.811 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.571 -11.571 4.235 1.00 0.00 H new ATOM 0 HE ARG A 31 4.731 -13.053 1.742 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.678 -12.418 4.570 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.750 -13.905 4.353 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.493 -14.917 1.472 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.206 -15.305 2.619 1.00 0.00 H new ATOM 488 N ILE A 32 2.502 -7.141 2.191 1.00 0.00 N ATOM 489 CA ILE A 32 2.893 -5.749 2.326 1.00 0.00 C ATOM 490 C ILE A 32 3.562 -5.539 3.678 1.00 0.00 C ATOM 491 O ILE A 32 3.271 -6.248 4.640 1.00 0.00 O ATOM 492 CB ILE A 32 1.654 -4.846 2.189 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.651 -5.405 1.161 1.00 0.00 C ATOM 494 CG2 ILE A 32 2.098 -3.433 1.803 1.00 0.00 C ATOM 495 CD1 ILE A 32 -0.544 -4.475 0.936 1.00 0.00 C ATOM 0 H ILE A 32 2.022 -7.519 3.008 1.00 0.00 H new ATOM 0 HA ILE A 32 3.601 -5.488 1.539 1.00 0.00 H new ATOM 0 HB ILE A 32 1.140 -4.816 3.150 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.162 -5.569 0.212 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.291 -6.376 1.501 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.223 -2.791 1.705 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.756 -3.035 2.575 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.632 -3.466 0.853 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.217 -4.919 0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.075 -4.331 1.877 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.191 -3.512 0.568 1.00 0.00 H new ATOM 507 N GLY A 33 4.460 -4.558 3.740 1.00 0.00 N ATOM 508 CA GLY A 33 5.182 -4.193 4.943 1.00 0.00 C ATOM 509 C GLY A 33 4.844 -2.752 5.295 1.00 0.00 C ATOM 510 O GLY A 33 4.601 -1.939 4.401 1.00 0.00 O ATOM 0 H GLY A 33 4.707 -3.985 2.933 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.909 -4.857 5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.255 -4.303 4.788 1.00 0.00 H new ATOM 514 N ILE A 34 4.835 -2.440 6.590 1.00 0.00 N ATOM 515 CA ILE A 34 4.524 -1.110 7.084 1.00 0.00 C ATOM 516 C ILE A 34 5.514 -0.804 8.196 1.00 0.00 C ATOM 517 O ILE A 34 5.905 -1.688 8.956 1.00 0.00 O ATOM 518 CB ILE A 34 3.073 -1.033 7.594 1.00 0.00 C ATOM 519 CG1 ILE A 34 2.032 -1.320 6.500 1.00 0.00 C ATOM 520 CG2 ILE A 34 2.811 0.385 8.115 1.00 0.00 C ATOM 521 CD1 ILE A 34 1.687 -2.809 6.391 1.00 0.00 C ATOM 0 H ILE A 34 5.046 -3.112 7.328 1.00 0.00 H new ATOM 0 HA ILE A 34 4.609 -0.375 6.284 1.00 0.00 H new ATOM 0 HB ILE A 34 2.969 -1.792 8.369 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.124 -0.755 6.710 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.412 -0.968 5.541 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.786 0.455 8.480 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.502 0.607 8.928 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.958 1.102 7.308 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.948 -2.954 5.603 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.588 -3.375 6.152 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.280 -3.159 7.340 1.00 0.00 H new ATOM 533 N ASN A 35 5.922 0.461 8.292 1.00 0.00 N ATOM 534 CA ASN A 35 6.923 0.875 9.255 1.00 0.00 C ATOM 535 C ASN A 35 6.561 2.258 9.782 1.00 0.00 C ATOM 536 O ASN A 35 6.753 3.261 9.094 1.00 0.00 O ATOM 537 CB ASN A 35 8.283 0.823 8.561 1.00 0.00 C ATOM 538 CG ASN A 35 9.433 0.768 9.552 1.00 0.00 C ATOM 539 OD1 ASN A 35 9.460 1.500 10.538 1.00 0.00 O ATOM 540 ND2 ASN A 35 10.394 -0.111 9.291 1.00 0.00 N ATOM 0 H ASN A 35 5.567 1.217 7.706 1.00 0.00 H new ATOM 0 HA ASN A 35 6.966 0.215 10.122 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.324 -0.051 7.911 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.397 1.700 7.923 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.192 -0.196 9.921 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.334 -0.701 8.461 1.00 0.00 H new ATOM 547 N ALA A 36 6.037 2.302 11.007 1.00 0.00 N ATOM 548 CA ALA A 36 5.564 3.522 11.647 1.00 0.00 C ATOM 549 C ALA A 36 5.792 3.440 13.154 1.00 0.00 C ATOM 550 O ALA A 36 5.929 2.341 13.697 1.00 0.00 O ATOM 551 CB ALA A 36 4.068 3.658 11.364 1.00 0.00 C ATOM 0 H ALA A 36 5.929 1.473 11.591 1.00 0.00 H new ATOM 0 HA ALA A 36 6.106 4.384 11.257 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.690 4.566 11.834 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.905 3.711 10.288 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.541 2.794 11.768 1.00 0.00 H new ATOM 557 N PRO A 37 5.833 4.585 13.845 1.00 0.00 N ATOM 558 CA PRO A 37 5.930 4.631 15.293 1.00 0.00 C ATOM 559 C PRO A 37 4.661 4.079 15.925 1.00 0.00 C ATOM 560 O PRO A 37 3.582 4.155 15.340 1.00 0.00 O ATOM 561 CB PRO A 37 6.110 6.111 15.635 1.00 0.00 C ATOM 562 CG PRO A 37 5.512 6.857 14.441 1.00 0.00 C ATOM 563 CD PRO A 37 5.785 5.919 13.273 1.00 0.00 C ATOM 0 HA PRO A 37 6.755 4.027 15.670 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.597 6.369 16.561 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.162 6.361 15.773 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.445 7.037 14.572 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.984 7.829 14.296 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.002 5.994 12.519 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.725 6.169 12.782 1.00 0.00 H new ATOM 571 N LYS A 38 4.769 3.517 17.133 1.00 0.00 N ATOM 572 CA LYS A 38 3.606 3.010 17.859 1.00 0.00 C ATOM 573 C LYS A 38 2.714 4.166 18.321 1.00 0.00 C ATOM 574 O LYS A 38 1.666 3.943 18.923 1.00 0.00 O ATOM 575 CB LYS A 38 4.062 2.130 19.028 1.00 0.00 C ATOM 576 CG LYS A 38 4.731 0.849 18.512 1.00 0.00 C ATOM 577 CD LYS A 38 3.703 -0.118 17.918 1.00 0.00 C ATOM 578 CE LYS A 38 3.399 -1.231 18.921 1.00 0.00 C ATOM 579 NZ LYS A 38 2.265 -2.065 18.473 1.00 0.00 N ATOM 0 H LYS A 38 5.654 3.403 17.628 1.00 0.00 H new ATOM 0 HA LYS A 38 3.006 2.391 17.192 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.760 2.684 19.656 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.206 1.873 19.652 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.473 1.104 17.755 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.263 0.360 19.328 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.788 0.418 17.668 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.085 -0.546 16.991 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.282 -1.856 19.052 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.170 -0.794 19.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.084 -2.811 19.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.417 -1.472 18.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.495 -2.500 17.557 1.00 0.00 H new ATOM 593 N ASP A 39 3.129 5.404 18.033 1.00 0.00 N ATOM 594 CA ASP A 39 2.325 6.601 18.246 1.00 0.00 C ATOM 595 C ASP A 39 1.135 6.627 17.281 1.00 0.00 C ATOM 596 O ASP A 39 0.231 7.448 17.428 1.00 0.00 O ATOM 597 CB ASP A 39 3.200 7.834 18.032 1.00 0.00 C ATOM 598 CG ASP A 39 4.233 7.975 19.145 1.00 0.00 C ATOM 599 OD1 ASP A 39 3.878 8.565 20.188 1.00 0.00 O ATOM 600 OD2 ASP A 39 5.369 7.493 18.947 1.00 0.00 O ATOM 0 H ASP A 39 4.049 5.600 17.639 1.00 0.00 H new ATOM 0 HA ASP A 39 1.938 6.597 19.265 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.706 7.762 17.069 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.574 8.726 17.997 1.00 0.00 H new ATOM 605 N VAL A 40 1.144 5.725 16.295 1.00 0.00 N ATOM 606 CA VAL A 40 0.070 5.556 15.330 1.00 0.00 C ATOM 607 C VAL A 40 -0.233 4.064 15.212 1.00 0.00 C ATOM 608 O VAL A 40 0.524 3.234 15.718 1.00 0.00 O ATOM 609 CB VAL A 40 0.438 6.174 13.975 1.00 0.00 C ATOM 610 CG1 VAL A 40 0.838 7.641 14.131 1.00 0.00 C ATOM 611 CG2 VAL A 40 1.609 5.460 13.303 1.00 0.00 C ATOM 0 H VAL A 40 1.920 5.080 16.148 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.823 6.080 15.670 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.455 6.073 13.358 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.094 8.054 13.155 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.005 8.202 14.556 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.700 7.715 14.794 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.827 5.938 12.348 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.487 5.517 13.946 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.350 4.415 13.135 1.00 0.00 H new ATOM 621 N ALA A 41 -1.336 3.709 14.551 1.00 0.00 N ATOM 622 CA ALA A 41 -1.783 2.328 14.511 1.00 0.00 C ATOM 623 C ALA A 41 -1.980 1.843 13.078 1.00 0.00 C ATOM 624 O ALA A 41 -2.112 2.647 12.160 1.00 0.00 O ATOM 625 CB ALA A 41 -3.076 2.200 15.317 1.00 0.00 C ATOM 0 H ALA A 41 -1.930 4.361 14.039 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.014 1.695 14.954 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.419 1.166 15.292 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.892 2.497 16.350 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.840 2.846 14.884 1.00 0.00 H new ATOM 631 N VAL A 42 -1.997 0.521 12.888 1.00 0.00 N ATOM 632 CA VAL A 42 -2.173 -0.081 11.573 1.00 0.00 C ATOM 633 C VAL A 42 -2.980 -1.369 11.706 1.00 0.00 C ATOM 634 O VAL A 42 -2.657 -2.219 12.531 1.00 0.00 O ATOM 635 CB VAL A 42 -0.804 -0.370 10.923 1.00 0.00 C ATOM 636 CG1 VAL A 42 0.111 0.856 10.949 1.00 0.00 C ATOM 637 CG2 VAL A 42 -0.035 -1.492 11.623 1.00 0.00 C ATOM 0 H VAL A 42 -1.889 -0.157 13.643 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.713 0.616 10.932 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.047 -0.661 9.901 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.064 0.609 10.482 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.360 1.673 10.403 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.282 1.161 11.982 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.919 -1.648 11.120 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.144 -1.217 12.662 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.619 -2.411 11.586 1.00 0.00 H new ATOM 647 N HIS A 43 -4.038 -1.532 10.902 1.00 0.00 N ATOM 648 CA HIS A 43 -4.829 -2.760 10.898 1.00 0.00 C ATOM 649 C HIS A 43 -5.575 -2.903 9.579 1.00 0.00 C ATOM 650 O HIS A 43 -5.688 -1.944 8.817 1.00 0.00 O ATOM 651 CB HIS A 43 -5.867 -2.789 12.032 1.00 0.00 C ATOM 652 CG HIS A 43 -5.509 -2.006 13.267 1.00 0.00 C ATOM 653 ND1 HIS A 43 -4.886 -2.524 14.406 1.00 0.00 N ATOM 654 CD2 HIS A 43 -5.747 -0.674 13.449 1.00 0.00 C ATOM 655 CE1 HIS A 43 -4.761 -1.486 15.249 1.00 0.00 C ATOM 656 NE2 HIS A 43 -5.272 -0.369 14.701 1.00 0.00 N ATOM 0 H HIS A 43 -4.364 -0.823 10.245 1.00 0.00 H new ATOM 0 HA HIS A 43 -4.126 -3.581 11.040 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -6.812 -2.408 11.644 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.035 -3.827 12.319 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.589 -3.487 14.564 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -6.214 0.003 12.750 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -4.313 -1.541 16.230 1.00 0.00 H new ATOM 664 N ARG A 44 -6.091 -4.106 9.312 1.00 0.00 N ATOM 665 CA ARG A 44 -6.971 -4.347 8.179 1.00 0.00 C ATOM 666 C ARG A 44 -8.202 -3.463 8.329 1.00 0.00 C ATOM 667 O ARG A 44 -8.574 -3.112 9.446 1.00 0.00 O ATOM 668 CB ARG A 44 -7.373 -5.821 8.180 1.00 0.00 C ATOM 669 CG ARG A 44 -6.174 -6.730 7.911 1.00 0.00 C ATOM 670 CD ARG A 44 -6.369 -8.099 8.569 1.00 0.00 C ATOM 671 NE ARG A 44 -7.584 -8.780 8.112 1.00 0.00 N ATOM 672 CZ ARG A 44 -8.118 -9.824 8.753 1.00 0.00 C ATOM 673 NH1 ARG A 44 -7.583 -10.276 9.882 1.00 0.00 N ATOM 674 NH2 ARG A 44 -9.196 -10.425 8.261 1.00 0.00 N ATOM 0 H ARG A 44 -5.907 -4.935 9.877 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.472 -4.113 7.239 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.816 -6.077 9.142 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -8.137 -5.991 7.421 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.040 -6.854 6.836 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.266 -6.264 8.294 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.504 -8.727 8.355 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.413 -7.974 9.651 1.00 0.00 H new ATOM 0 HE ARG A 44 -8.043 -8.442 7.266 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.754 -9.825 10.270 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.001 -11.074 10.361 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.616 -10.090 7.394 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.604 -11.222 8.750 1.00 0.00 H new ATOM 688 N GLU A 45 -8.847 -3.095 7.220 1.00 0.00 N ATOM 689 CA GLU A 45 -10.010 -2.221 7.272 1.00 0.00 C ATOM 690 C GLU A 45 -11.135 -2.862 8.086 1.00 0.00 C ATOM 691 O GLU A 45 -11.917 -2.169 8.732 1.00 0.00 O ATOM 692 CB GLU A 45 -10.441 -1.918 5.835 1.00 0.00 C ATOM 693 CG GLU A 45 -11.365 -0.704 5.742 1.00 0.00 C ATOM 694 CD GLU A 45 -12.786 -0.981 6.231 1.00 0.00 C ATOM 695 OE1 GLU A 45 -13.327 -2.050 5.875 1.00 0.00 O ATOM 696 OE2 GLU A 45 -13.316 -0.111 6.957 1.00 0.00 O ATOM 0 H GLU A 45 -8.581 -3.390 6.280 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.762 -1.287 7.775 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.556 -1.744 5.223 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.949 -2.789 5.421 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.940 0.112 6.327 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.405 -0.366 4.706 1.00 0.00 H new ATOM 703 N GLU A 46 -11.219 -4.195 8.059 1.00 0.00 N ATOM 704 CA GLU A 46 -12.235 -4.943 8.791 1.00 0.00 C ATOM 705 C GLU A 46 -11.901 -5.082 10.277 1.00 0.00 C ATOM 706 O GLU A 46 -12.795 -5.337 11.081 1.00 0.00 O ATOM 707 CB GLU A 46 -12.399 -6.324 8.148 1.00 0.00 C ATOM 708 CG GLU A 46 -11.103 -7.138 8.210 1.00 0.00 C ATOM 709 CD GLU A 46 -11.192 -8.368 7.311 1.00 0.00 C ATOM 710 OE1 GLU A 46 -12.167 -9.141 7.469 1.00 0.00 O ATOM 711 OE2 GLU A 46 -10.278 -8.531 6.472 1.00 0.00 O ATOM 0 H GLU A 46 -10.580 -4.784 7.526 1.00 0.00 H new ATOM 0 HA GLU A 46 -13.171 -4.388 8.733 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -13.195 -6.869 8.655 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.705 -6.207 7.108 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.263 -6.516 7.901 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.911 -7.446 9.238 1.00 0.00 H new ATOM 718 N ILE A 47 -10.626 -4.920 10.651 1.00 0.00 N ATOM 719 CA ILE A 47 -10.202 -4.974 12.048 1.00 0.00 C ATOM 720 C ILE A 47 -10.259 -3.572 12.649 1.00 0.00 C ATOM 721 O ILE A 47 -10.423 -3.406 13.853 1.00 0.00 O ATOM 722 CB ILE A 47 -8.772 -5.531 12.117 1.00 0.00 C ATOM 723 CG1 ILE A 47 -8.689 -6.935 11.500 1.00 0.00 C ATOM 724 CG2 ILE A 47 -8.273 -5.570 13.565 1.00 0.00 C ATOM 725 CD1 ILE A 47 -9.555 -7.968 12.214 1.00 0.00 C ATOM 0 H ILE A 47 -9.865 -4.749 9.994 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.865 -5.626 12.617 1.00 0.00 H new ATOM 0 HB ILE A 47 -8.134 -4.862 11.539 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.990 -6.881 10.454 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.652 -7.269 11.516 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.258 -5.968 13.590 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.277 -4.562 13.979 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.928 -6.208 14.158 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.446 -8.935 11.724 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.240 -8.051 13.254 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.599 -7.657 12.175 1.00 0.00 H new ATOM 737 N TYR A 48 -10.122 -2.556 11.795 1.00 0.00 N ATOM 738 CA TYR A 48 -10.142 -1.157 12.188 1.00 0.00 C ATOM 739 C TYR A 48 -11.488 -0.774 12.802 1.00 0.00 C ATOM 740 O TYR A 48 -11.531 -0.002 13.757 1.00 0.00 O ATOM 741 CB TYR A 48 -9.854 -0.350 10.924 1.00 0.00 C ATOM 742 CG TYR A 48 -9.862 1.154 11.057 1.00 0.00 C ATOM 743 CD1 TYR A 48 -8.864 1.814 11.789 1.00 0.00 C ATOM 744 CD2 TYR A 48 -10.872 1.894 10.431 1.00 0.00 C ATOM 745 CE1 TYR A 48 -8.851 3.213 11.857 1.00 0.00 C ATOM 746 CE2 TYR A 48 -10.852 3.292 10.474 1.00 0.00 C ATOM 747 CZ TYR A 48 -9.836 3.961 11.185 1.00 0.00 C ATOM 748 OH TYR A 48 -9.813 5.320 11.225 1.00 0.00 O ATOM 0 H TYR A 48 -9.992 -2.692 10.792 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.395 -0.955 12.955 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.878 -0.652 10.544 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.590 -0.628 10.169 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.104 1.242 12.301 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.670 1.383 9.913 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.084 3.718 12.426 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.616 3.859 9.962 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.565 5.675 10.707 1.00 0.00 H new ATOM 1601 N MET C 1 8.814 -3.377 11.718 1.00 0.00 N ATOM 1602 CA MET C 1 7.836 -3.600 10.638 1.00 0.00 C ATOM 1603 C MET C 1 6.550 -4.214 11.157 1.00 0.00 C ATOM 1604 O MET C 1 6.521 -4.789 12.240 1.00 0.00 O ATOM 1605 CB MET C 1 8.364 -4.584 9.597 1.00 0.00 C ATOM 1606 CG MET C 1 9.543 -4.057 8.793 1.00 0.00 C ATOM 1607 SD MET C 1 9.070 -2.998 7.417 1.00 0.00 S ATOM 1608 CE MET C 1 8.345 -4.323 6.421 1.00 0.00 C ATOM 0 H1 MET C 1 9.030 -2.362 11.787 1.00 0.00 H new ATOM 0 H2 MET C 1 8.417 -3.708 12.620 1.00 0.00 H new ATOM 0 H3 MET C 1 9.687 -3.903 11.510 1.00 0.00 H new ATOM 0 HA MET C 1 7.659 -2.615 10.207 1.00 0.00 H new ATOM 0 HB2 MET C 1 8.662 -5.504 10.099 1.00 0.00 H new ATOM 0 HB3 MET C 1 7.556 -4.842 8.912 1.00 0.00 H new ATOM 0 HG2 MET C 1 10.204 -3.500 9.457 1.00 0.00 H new ATOM 0 HG3 MET C 1 10.115 -4.902 8.409 1.00 0.00 H new ATOM 0 HE1 MET C 1 8.359 -4.037 5.369 1.00 0.00 H new ATOM 0 HE2 MET C 1 8.923 -5.237 6.556 1.00 0.00 H new ATOM 0 HE3 MET C 1 7.316 -4.494 6.737 1.00 0.00 H new ATOM 1620 N LEU C 2 5.492 -4.083 10.360 1.00 0.00 N ATOM 1621 CA LEU C 2 4.239 -4.788 10.543 1.00 0.00 C ATOM 1622 C LEU C 2 3.832 -5.296 9.164 1.00 0.00 C ATOM 1623 O LEU C 2 3.516 -4.506 8.277 1.00 0.00 O ATOM 1624 CB LEU C 2 3.224 -3.835 11.183 1.00 0.00 C ATOM 1625 CG LEU C 2 1.866 -4.457 11.538 1.00 0.00 C ATOM 1626 CD1 LEU C 2 0.954 -4.570 10.319 1.00 0.00 C ATOM 1627 CD2 LEU C 2 2.020 -5.836 12.171 1.00 0.00 C ATOM 0 H LEU C 2 5.489 -3.465 9.549 1.00 0.00 H new ATOM 0 HA LEU C 2 4.310 -5.641 11.218 1.00 0.00 H new ATOM 0 HB2 LEU C 2 3.663 -3.421 12.091 1.00 0.00 H new ATOM 0 HB3 LEU C 2 3.055 -3.001 10.502 1.00 0.00 H new ATOM 0 HG LEU C 2 1.409 -3.782 12.262 1.00 0.00 H new ATOM 0 HD11 LEU C 2 0.004 -5.015 10.615 1.00 0.00 H new ATOM 0 HD12 LEU C 2 0.776 -3.578 9.904 1.00 0.00 H new ATOM 0 HD13 LEU C 2 1.430 -5.198 9.566 1.00 0.00 H new ATOM 0 HD21 LEU C 2 1.036 -6.240 12.407 1.00 0.00 H new ATOM 0 HD22 LEU C 2 2.528 -6.502 11.473 1.00 0.00 H new ATOM 0 HD23 LEU C 2 2.607 -5.753 13.086 1.00 0.00 H new ATOM 1639 N ILE C 3 3.845 -6.619 8.982 1.00 0.00 N ATOM 1640 CA ILE C 3 3.606 -7.240 7.688 1.00 0.00 C ATOM 1641 C ILE C 3 2.174 -7.765 7.657 1.00 0.00 C ATOM 1642 O ILE C 3 1.614 -8.127 8.692 1.00 0.00 O ATOM 1643 CB ILE C 3 4.640 -8.350 7.434 1.00 0.00 C ATOM 1644 CG1 ILE C 3 6.058 -7.786 7.287 1.00 0.00 C ATOM 1645 CG2 ILE C 3 4.330 -9.089 6.131 1.00 0.00 C ATOM 1646 CD1 ILE C 3 6.740 -7.575 8.638 1.00 0.00 C ATOM 0 H ILE C 3 4.022 -7.286 9.733 1.00 0.00 H new ATOM 0 HA ILE C 3 3.722 -6.512 6.886 1.00 0.00 H new ATOM 0 HB ILE C 3 4.585 -9.017 8.294 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.657 -8.467 6.682 1.00 0.00 H new ATOM 0 HG13 ILE C 3 6.016 -6.838 6.751 1.00 0.00 H new ATOM 0 HG21 ILE C 3 5.073 -9.870 5.970 1.00 0.00 H new ATOM 0 HG22 ILE C 3 3.339 -9.539 6.195 1.00 0.00 H new ATOM 0 HG23 ILE C 3 4.357 -8.386 5.299 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.742 -7.174 8.481 1.00 0.00 H new ATOM 0 HD12 ILE C 3 6.157 -6.873 9.234 1.00 0.00 H new ATOM 0 HD13 ILE C 3 6.808 -8.527 9.164 1.00 0.00 H new ATOM 1658 N LEU C 4 1.581 -7.810 6.462 1.00 0.00 N ATOM 1659 CA LEU C 4 0.173 -8.127 6.290 1.00 0.00 C ATOM 1660 C LEU C 4 -0.063 -8.683 4.879 1.00 0.00 C ATOM 1661 O LEU C 4 0.776 -8.504 4.000 1.00 0.00 O ATOM 1662 CB LEU C 4 -0.583 -6.800 6.481 1.00 0.00 C ATOM 1663 CG LEU C 4 -1.867 -6.863 7.317 1.00 0.00 C ATOM 1664 CD1 LEU C 4 -2.973 -7.624 6.602 1.00 0.00 C ATOM 1665 CD2 LEU C 4 -1.628 -7.475 8.697 1.00 0.00 C ATOM 0 H LEU C 4 2.071 -7.626 5.587 1.00 0.00 H new ATOM 0 HA LEU C 4 -0.167 -8.881 7.000 1.00 0.00 H new ATOM 0 HB2 LEU C 4 0.094 -6.085 6.948 1.00 0.00 H new ATOM 0 HB3 LEU C 4 -0.835 -6.405 5.497 1.00 0.00 H new ATOM 0 HG LEU C 4 -2.187 -5.830 7.452 1.00 0.00 H new ATOM 0 HD11 LEU C 4 -3.864 -7.645 7.229 1.00 0.00 H new ATOM 0 HD12 LEU C 4 -3.204 -7.129 5.659 1.00 0.00 H new ATOM 0 HD13 LEU C 4 -2.644 -8.644 6.405 1.00 0.00 H new ATOM 0 HD21 LEU C 4 -2.566 -7.498 9.252 1.00 0.00 H new ATOM 0 HD22 LEU C 4 -1.248 -8.490 8.584 1.00 0.00 H new ATOM 0 HD23 LEU C 4 -0.900 -6.873 9.241 1.00 0.00 H new ATOM 1677 N THR C 5 -1.198 -9.352 4.657 1.00 0.00 N ATOM 1678 CA THR C 5 -1.633 -9.765 3.325 1.00 0.00 C ATOM 1679 C THR C 5 -3.048 -9.279 3.063 1.00 0.00 C ATOM 1680 O THR C 5 -3.874 -9.208 3.971 1.00 0.00 O ATOM 1681 CB THR C 5 -1.636 -11.286 3.143 1.00 0.00 C ATOM 1682 OG1 THR C 5 -2.071 -11.920 4.319 1.00 0.00 O ATOM 1683 CG2 THR C 5 -0.287 -11.852 2.724 1.00 0.00 C ATOM 0 H THR C 5 -1.842 -9.622 5.401 1.00 0.00 H new ATOM 0 HA THR C 5 -0.919 -9.327 2.628 1.00 0.00 H new ATOM 0 HB THR C 5 -2.330 -11.489 2.327 1.00 0.00 H new ATOM 0 HG1 THR C 5 -2.069 -12.891 4.187 1.00 0.00 H new ATOM 0 HG21 THR C 5 -0.365 -12.934 2.614 1.00 0.00 H new ATOM 0 HG22 THR C 5 0.013 -11.411 1.773 1.00 0.00 H new ATOM 0 HG23 THR C 5 0.458 -11.617 3.484 1.00 0.00 H new ATOM 1691 N ARG C 6 -3.310 -8.943 1.799 1.00 0.00 N ATOM 1692 CA ARG C 6 -4.625 -8.561 1.314 1.00 0.00 C ATOM 1693 C ARG C 6 -4.791 -9.107 -0.095 1.00 0.00 C ATOM 1694 O ARG C 6 -3.826 -9.571 -0.699 1.00 0.00 O ATOM 1695 CB ARG C 6 -4.766 -7.037 1.281 1.00 0.00 C ATOM 1696 CG ARG C 6 -4.934 -6.375 2.650 1.00 0.00 C ATOM 1697 CD ARG C 6 -6.395 -6.223 3.085 1.00 0.00 C ATOM 1698 NE ARG C 6 -7.092 -7.504 3.250 1.00 0.00 N ATOM 1699 CZ ARG C 6 -8.116 -7.688 4.088 1.00 0.00 C ATOM 1700 NH1 ARG C 6 -8.601 -6.675 4.804 1.00 0.00 N ATOM 1701 NH2 ARG C 6 -8.668 -8.887 4.226 1.00 0.00 N ATOM 0 H ARG C 6 -2.594 -8.931 1.073 1.00 0.00 H new ATOM 0 HA ARG C 6 -5.387 -8.965 1.980 1.00 0.00 H new ATOM 0 HB2 ARG C 6 -3.886 -6.616 0.796 1.00 0.00 H new ATOM 0 HB3 ARG C 6 -5.625 -6.780 0.661 1.00 0.00 H new ATOM 0 HG2 ARG C 6 -4.401 -6.964 3.396 1.00 0.00 H new ATOM 0 HG3 ARG C 6 -4.466 -5.391 2.628 1.00 0.00 H new ATOM 0 HD2 ARG C 6 -6.431 -5.675 4.027 1.00 0.00 H new ATOM 0 HD3 ARG C 6 -6.925 -5.622 2.346 1.00 0.00 H new ATOM 0 HE ARG C 6 -6.777 -8.299 2.693 1.00 0.00 H new ATOM 0 HH11 ARG C 6 -8.190 -5.746 4.716 1.00 0.00 H new ATOM 0 HH12 ARG C 6 -9.383 -6.829 5.440 1.00 0.00 H new ATOM 0 HH21 ARG C 6 -8.311 -9.678 3.690 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -9.449 -9.018 4.868 1.00 0.00 H new ATOM 1715 N LYS C 7 -6.018 -9.048 -0.612 1.00 0.00 N ATOM 1716 CA LYS C 7 -6.297 -9.445 -1.983 1.00 0.00 C ATOM 1717 C LYS C 7 -6.841 -8.248 -2.740 1.00 0.00 C ATOM 1718 O LYS C 7 -7.288 -7.284 -2.119 1.00 0.00 O ATOM 1719 CB LYS C 7 -7.285 -10.609 -2.036 1.00 0.00 C ATOM 1720 CG LYS C 7 -6.569 -11.953 -2.003 1.00 0.00 C ATOM 1721 CD LYS C 7 -7.573 -13.071 -2.281 1.00 0.00 C ATOM 1722 CE LYS C 7 -6.812 -14.342 -2.651 1.00 0.00 C ATOM 1723 NZ LYS C 7 -7.741 -15.458 -2.900 1.00 0.00 N ATOM 0 H LYS C 7 -6.836 -8.726 -0.095 1.00 0.00 H new ATOM 0 HA LYS C 7 -5.372 -9.786 -2.448 1.00 0.00 H new ATOM 0 HB2 LYS C 7 -7.973 -10.542 -1.193 1.00 0.00 H new ATOM 0 HB3 LYS C 7 -7.884 -10.537 -2.944 1.00 0.00 H new ATOM 0 HG2 LYS C 7 -5.773 -11.971 -2.747 1.00 0.00 H new ATOM 0 HG3 LYS C 7 -6.100 -12.104 -1.031 1.00 0.00 H new ATOM 0 HD2 LYS C 7 -8.194 -13.246 -1.403 1.00 0.00 H new ATOM 0 HD3 LYS C 7 -8.242 -12.783 -3.092 1.00 0.00 H new ATOM 0 HE2 LYS C 7 -6.207 -14.162 -3.540 1.00 0.00 H new ATOM 0 HE3 LYS C 7 -6.126 -14.607 -1.846 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 -7.200 -16.311 -3.150 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 -8.301 -15.642 -2.043 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 -8.379 -15.211 -3.683 1.00 0.00 H new ATOM 1737 N VAL C 8 -6.807 -8.297 -4.075 1.00 0.00 N ATOM 1738 CA VAL C 8 -7.246 -7.148 -4.859 1.00 0.00 C ATOM 1739 C VAL C 8 -8.669 -6.738 -4.478 1.00 0.00 C ATOM 1740 O VAL C 8 -9.577 -7.567 -4.447 1.00 0.00 O ATOM 1741 CB VAL C 8 -7.109 -7.411 -6.360 1.00 0.00 C ATOM 1742 CG1 VAL C 8 -5.638 -7.671 -6.677 1.00 0.00 C ATOM 1743 CG2 VAL C 8 -7.933 -8.603 -6.835 1.00 0.00 C ATOM 0 H VAL C 8 -6.489 -9.098 -4.620 1.00 0.00 H new ATOM 0 HA VAL C 8 -6.591 -6.309 -4.623 1.00 0.00 H new ATOM 0 HB VAL C 8 -7.485 -6.531 -6.881 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -5.524 -7.860 -7.744 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -5.046 -6.799 -6.398 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -5.293 -8.539 -6.115 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -7.793 -8.738 -7.908 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -7.608 -9.502 -6.311 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -8.988 -8.423 -6.626 1.00 0.00 H new ATOM 1753 N GLY C 9 -8.854 -5.448 -4.189 1.00 0.00 N ATOM 1754 CA GLY C 9 -10.145 -4.878 -3.837 1.00 0.00 C ATOM 1755 C GLY C 9 -10.305 -4.668 -2.331 1.00 0.00 C ATOM 1756 O GLY C 9 -11.240 -3.982 -1.909 1.00 0.00 O ATOM 0 H GLY C 9 -8.097 -4.765 -4.195 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -10.268 -3.923 -4.348 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -10.938 -5.535 -4.195 1.00 0.00 H new ATOM 1760 N GLU C 10 -9.420 -5.245 -1.516 1.00 0.00 N ATOM 1761 CA GLU C 10 -9.490 -5.109 -0.060 1.00 0.00 C ATOM 1762 C GLU C 10 -8.733 -3.865 0.414 1.00 0.00 C ATOM 1763 O GLU C 10 -8.096 -3.178 -0.385 1.00 0.00 O ATOM 1764 CB GLU C 10 -8.925 -6.364 0.605 1.00 0.00 C ATOM 1765 CG GLU C 10 -9.707 -7.616 0.210 1.00 0.00 C ATOM 1766 CD GLU C 10 -11.179 -7.505 0.612 1.00 0.00 C ATOM 1767 OE1 GLU C 10 -11.430 -7.310 1.822 1.00 0.00 O ATOM 1768 OE2 GLU C 10 -12.039 -7.615 -0.292 1.00 0.00 O ATOM 0 H GLU C 10 -8.640 -5.815 -1.843 1.00 0.00 H new ATOM 0 HA GLU C 10 -10.535 -4.993 0.227 1.00 0.00 H new ATOM 0 HB2 GLU C 10 -7.879 -6.485 0.324 1.00 0.00 H new ATOM 0 HB3 GLU C 10 -8.952 -6.245 1.688 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -9.633 -7.768 -0.867 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -9.263 -8.490 0.687 1.00 0.00 H new ATOM 1775 N SER C 11 -8.800 -3.571 1.719 1.00 0.00 N ATOM 1776 CA SER C 11 -8.232 -2.342 2.267 1.00 0.00 C ATOM 1777 C SER C 11 -7.559 -2.551 3.620 1.00 0.00 C ATOM 1778 O SER C 11 -7.707 -3.595 4.260 1.00 0.00 O ATOM 1779 CB SER C 11 -9.347 -1.303 2.418 1.00 0.00 C ATOM 1780 OG SER C 11 -9.915 -0.983 1.164 1.00 0.00 O ATOM 0 H SER C 11 -9.244 -4.172 2.413 1.00 0.00 H new ATOM 0 HA SER C 11 -7.464 -2.001 1.573 1.00 0.00 H new ATOM 0 HB2 SER C 11 -10.120 -1.688 3.084 1.00 0.00 H new ATOM 0 HB3 SER C 11 -8.948 -0.401 2.881 1.00 0.00 H new ATOM 0 HG SER C 11 -10.625 -0.319 1.286 1.00 0.00 H new ATOM 1786 N ILE C 12 -6.816 -1.524 4.040 1.00 0.00 N ATOM 1787 CA ILE C 12 -6.064 -1.452 5.288 1.00 0.00 C ATOM 1788 C ILE C 12 -6.190 -0.010 5.802 1.00 0.00 C ATOM 1789 O ILE C 12 -6.603 0.871 5.050 1.00 0.00 O ATOM 1790 CB ILE C 12 -4.596 -1.846 5.021 1.00 0.00 C ATOM 1791 CG1 ILE C 12 -4.532 -3.295 4.517 1.00 0.00 C ATOM 1792 CG2 ILE C 12 -3.712 -1.691 6.265 1.00 0.00 C ATOM 1793 CD1 ILE C 12 -3.096 -3.800 4.368 1.00 0.00 C ATOM 0 H ILE C 12 -6.720 -0.674 3.484 1.00 0.00 H new ATOM 0 HA ILE C 12 -6.448 -2.140 6.041 1.00 0.00 H new ATOM 0 HB ILE C 12 -4.210 -1.166 4.262 1.00 0.00 H new ATOM 0 HG12 ILE C 12 -5.071 -3.941 5.210 1.00 0.00 H new ATOM 0 HG13 ILE C 12 -5.040 -3.365 3.555 1.00 0.00 H new ATOM 0 HG21 ILE C 12 -2.690 -1.981 6.023 1.00 0.00 H new ATOM 0 HG22 ILE C 12 -3.726 -0.652 6.594 1.00 0.00 H new ATOM 0 HG23 ILE C 12 -4.091 -2.330 7.063 1.00 0.00 H new ATOM 0 HD11 ILE C 12 -3.108 -4.829 4.009 1.00 0.00 H new ATOM 0 HD12 ILE C 12 -2.562 -3.173 3.654 1.00 0.00 H new ATOM 0 HD13 ILE C 12 -2.594 -3.759 5.334 1.00 0.00 H new ATOM 1805 N ASN C 13 -5.843 0.246 7.063 1.00 0.00 N ATOM 1806 CA ASN C 13 -5.942 1.581 7.640 1.00 0.00 C ATOM 1807 C ASN C 13 -4.671 1.919 8.422 1.00 0.00 C ATOM 1808 O ASN C 13 -3.980 1.017 8.901 1.00 0.00 O ATOM 1809 CB ASN C 13 -7.187 1.660 8.532 1.00 0.00 C ATOM 1810 CG ASN C 13 -7.535 3.107 8.852 1.00 0.00 C ATOM 1811 OD1 ASN C 13 -6.936 3.722 9.729 1.00 0.00 O ATOM 1812 ND2 ASN C 13 -8.510 3.654 8.132 1.00 0.00 N ATOM 0 H ASN C 13 -5.488 -0.461 7.707 1.00 0.00 H new ATOM 0 HA ASN C 13 -6.041 2.317 6.842 1.00 0.00 H new ATOM 0 HB2 ASN C 13 -8.029 1.181 8.032 1.00 0.00 H new ATOM 0 HB3 ASN C 13 -7.012 1.111 9.457 1.00 0.00 H new ATOM 0 HD21 ASN C 13 -8.786 4.622 8.299 1.00 0.00 H new ATOM 0 HD22 ASN C 13 -8.982 3.106 7.412 1.00 0.00 H new ATOM 1819 N ILE C 14 -4.368 3.214 8.547 1.00 0.00 N ATOM 1820 CA ILE C 14 -3.174 3.709 9.227 1.00 0.00 C ATOM 1821 C ILE C 14 -3.540 4.949 10.039 1.00 0.00 C ATOM 1822 O ILE C 14 -4.369 5.755 9.615 1.00 0.00 O ATOM 1823 CB ILE C 14 -2.082 4.048 8.206 1.00 0.00 C ATOM 1824 CG1 ILE C 14 -1.757 2.813 7.351 1.00 0.00 C ATOM 1825 CG2 ILE C 14 -0.818 4.555 8.917 1.00 0.00 C ATOM 1826 CD1 ILE C 14 -0.678 3.087 6.305 1.00 0.00 C ATOM 0 H ILE C 14 -4.957 3.958 8.172 1.00 0.00 H new ATOM 0 HA ILE C 14 -2.791 2.937 9.894 1.00 0.00 H new ATOM 0 HB ILE C 14 -2.449 4.840 7.553 1.00 0.00 H new ATOM 0 HG12 ILE C 14 -1.429 2.002 8.001 1.00 0.00 H new ATOM 0 HG13 ILE C 14 -2.664 2.474 6.851 1.00 0.00 H new ATOM 0 HG21 ILE C 14 -0.054 4.791 8.176 1.00 0.00 H new ATOM 0 HG22 ILE C 14 -1.057 5.451 9.489 1.00 0.00 H new ATOM 0 HG23 ILE C 14 -0.445 3.783 9.590 1.00 0.00 H new ATOM 0 HD11 ILE C 14 -0.489 2.180 5.731 1.00 0.00 H new ATOM 0 HD12 ILE C 14 -1.014 3.878 5.634 1.00 0.00 H new ATOM 0 HD13 ILE C 14 0.240 3.399 6.803 1.00 0.00 H new ATOM 1838 N GLY C 15 -2.913 5.102 11.210 1.00 0.00 N ATOM 1839 CA GLY C 15 -3.194 6.217 12.094 1.00 0.00 C ATOM 1840 C GLY C 15 -4.678 6.220 12.445 1.00 0.00 C ATOM 1841 O GLY C 15 -5.235 5.193 12.824 1.00 0.00 O ATOM 0 H GLY C 15 -2.204 4.458 11.561 1.00 0.00 H new ATOM 0 HA2 GLY C 15 -2.594 6.137 13.001 1.00 0.00 H new ATOM 0 HA3 GLY C 15 -2.921 7.156 11.612 1.00 0.00 H new ATOM 1845 N ASP C 16 -5.306 7.389 12.313 1.00 0.00 N ATOM 1846 CA ASP C 16 -6.732 7.547 12.548 1.00 0.00 C ATOM 1847 C ASP C 16 -7.341 8.426 11.451 1.00 0.00 C ATOM 1848 O ASP C 16 -8.491 8.852 11.566 1.00 0.00 O ATOM 1849 CB ASP C 16 -6.957 8.171 13.927 1.00 0.00 C ATOM 1850 CG ASP C 16 -6.308 7.349 15.041 1.00 0.00 C ATOM 1851 OD1 ASP C 16 -6.938 6.365 15.479 1.00 0.00 O ATOM 1852 OD2 ASP C 16 -5.183 7.716 15.448 1.00 0.00 O ATOM 0 H ASP C 16 -4.835 8.251 12.039 1.00 0.00 H new ATOM 0 HA ASP C 16 -7.219 6.572 12.522 1.00 0.00 H new ATOM 0 HB2 ASP C 16 -6.550 9.182 13.938 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -8.027 8.256 14.116 1.00 0.00 H new ATOM 1857 N ASP C 17 -6.569 8.702 10.393 1.00 0.00 N ATOM 1858 CA ASP C 17 -6.972 9.602 9.321 1.00 0.00 C ATOM 1859 C ASP C 17 -6.441 9.145 7.957 1.00 0.00 C ATOM 1860 O ASP C 17 -6.536 9.900 6.990 1.00 0.00 O ATOM 1861 CB ASP C 17 -6.465 11.017 9.618 1.00 0.00 C ATOM 1862 CG ASP C 17 -7.040 11.579 10.915 1.00 0.00 C ATOM 1863 OD1 ASP C 17 -8.181 12.091 10.859 1.00 0.00 O ATOM 1864 OD2 ASP C 17 -6.340 11.494 11.949 1.00 0.00 O ATOM 0 H ASP C 17 -5.641 8.300 10.262 1.00 0.00 H new ATOM 0 HA ASP C 17 -8.061 9.593 9.275 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -5.377 11.005 9.681 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -6.729 11.676 8.791 1.00 0.00 H new ATOM 1869 N ILE C 18 -5.885 7.931 7.851 1.00 0.00 N ATOM 1870 CA ILE C 18 -5.343 7.442 6.590 1.00 0.00 C ATOM 1871 C ILE C 18 -5.892 6.055 6.284 1.00 0.00 C ATOM 1872 O ILE C 18 -6.133 5.261 7.191 1.00 0.00 O ATOM 1873 CB ILE C 18 -3.807 7.398 6.653 1.00 0.00 C ATOM 1874 CG1 ILE C 18 -3.204 8.776 6.950 1.00 0.00 C ATOM 1875 CG2 ILE C 18 -3.240 6.880 5.327 1.00 0.00 C ATOM 1876 CD1 ILE C 18 -2.946 8.927 8.449 1.00 0.00 C ATOM 0 H ILE C 18 -5.802 7.274 8.627 1.00 0.00 H new ATOM 0 HA ILE C 18 -5.643 8.123 5.794 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.538 6.725 7.467 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -2.272 8.900 6.399 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -3.882 9.559 6.610 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -2.152 6.853 5.382 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -3.619 5.876 5.137 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -3.546 7.542 4.517 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -2.518 9.910 8.647 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -3.885 8.824 8.992 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -2.250 8.155 8.778 1.00 0.00 H new ATOM 1888 N THR C 19 -6.090 5.764 4.999 1.00 0.00 N ATOM 1889 CA THR C 19 -6.590 4.478 4.544 1.00 0.00 C ATOM 1890 C THR C 19 -5.804 4.049 3.311 1.00 0.00 C ATOM 1891 O THR C 19 -5.247 4.886 2.607 1.00 0.00 O ATOM 1892 CB THR C 19 -8.091 4.586 4.241 1.00 0.00 C ATOM 1893 OG1 THR C 19 -8.760 5.247 5.290 1.00 0.00 O ATOM 1894 CG2 THR C 19 -8.727 3.204 4.091 1.00 0.00 C ATOM 0 H THR C 19 -5.905 6.423 4.243 1.00 0.00 H new ATOM 0 HA THR C 19 -6.458 3.724 5.320 1.00 0.00 H new ATOM 0 HB THR C 19 -8.187 5.144 3.309 1.00 0.00 H new ATOM 0 HG1 THR C 19 -9.715 5.309 5.081 1.00 0.00 H new ATOM 0 HG21 THR C 19 -9.790 3.314 3.877 1.00 0.00 H new ATOM 0 HG22 THR C 19 -8.246 2.669 3.273 1.00 0.00 H new ATOM 0 HG23 THR C 19 -8.599 2.642 5.016 1.00 0.00 H new ATOM 1902 N ILE C 20 -5.763 2.740 3.054 1.00 0.00 N ATOM 1903 CA ILE C 20 -5.005 2.153 1.958 1.00 0.00 C ATOM 1904 C ILE C 20 -5.867 1.101 1.278 1.00 0.00 C ATOM 1905 O ILE C 20 -6.656 0.431 1.944 1.00 0.00 O ATOM 1906 CB ILE C 20 -3.732 1.496 2.519 1.00 0.00 C ATOM 1907 CG1 ILE C 20 -2.847 2.483 3.298 1.00 0.00 C ATOM 1908 CG2 ILE C 20 -2.923 0.842 1.398 1.00 0.00 C ATOM 1909 CD1 ILE C 20 -2.222 3.550 2.404 1.00 0.00 C ATOM 0 H ILE C 20 -6.265 2.051 3.613 1.00 0.00 H new ATOM 0 HA ILE C 20 -4.726 2.922 1.238 1.00 0.00 H new ATOM 0 HB ILE C 20 -4.062 0.732 3.223 1.00 0.00 H new ATOM 0 HG12 ILE C 20 -3.444 2.967 4.071 1.00 0.00 H new ATOM 0 HG13 ILE C 20 -2.055 1.932 3.805 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -2.027 0.383 1.816 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -3.528 0.078 0.911 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -2.636 1.598 0.667 1.00 0.00 H new ATOM 0 HD11 ILE C 20 -1.608 4.218 3.009 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -1.600 3.072 1.647 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -3.010 4.124 1.917 1.00 0.00 H new ATOM 1921 N THR C 21 -5.723 0.945 -0.040 1.00 0.00 N ATOM 1922 CA THR C 21 -6.490 -0.039 -0.787 1.00 0.00 C ATOM 1923 C THR C 21 -5.645 -0.620 -1.910 1.00 0.00 C ATOM 1924 O THR C 21 -5.028 0.113 -2.681 1.00 0.00 O ATOM 1925 CB THR C 21 -7.746 0.622 -1.365 1.00 0.00 C ATOM 1926 OG1 THR C 21 -8.469 1.268 -0.341 1.00 0.00 O ATOM 1927 CG2 THR C 21 -8.665 -0.410 -2.017 1.00 0.00 C ATOM 0 H THR C 21 -5.078 1.493 -0.609 1.00 0.00 H new ATOM 0 HA THR C 21 -6.783 -0.847 -0.117 1.00 0.00 H new ATOM 0 HB THR C 21 -7.419 1.342 -2.116 1.00 0.00 H new ATOM 0 HG1 THR C 21 -8.973 0.603 0.173 1.00 0.00 H new ATOM 0 HG21 THR C 21 -9.547 0.090 -2.417 1.00 0.00 H new ATOM 0 HG22 THR C 21 -8.133 -0.911 -2.826 1.00 0.00 H new ATOM 0 HG23 THR C 21 -8.971 -1.146 -1.273 1.00 0.00 H new ATOM 1935 N ILE C 22 -5.621 -1.955 -2.002 1.00 0.00 N ATOM 1936 CA ILE C 22 -4.945 -2.663 -3.074 1.00 0.00 C ATOM 1937 C ILE C 22 -5.895 -2.700 -4.274 1.00 0.00 C ATOM 1938 O ILE C 22 -6.754 -3.573 -4.369 1.00 0.00 O ATOM 1939 CB ILE C 22 -4.502 -4.054 -2.585 1.00 0.00 C ATOM 1940 CG1 ILE C 22 -4.072 -4.979 -3.733 1.00 0.00 C ATOM 1941 CG2 ILE C 22 -5.588 -4.758 -1.773 1.00 0.00 C ATOM 1942 CD1 ILE C 22 -2.984 -4.341 -4.585 1.00 0.00 C ATOM 0 H ILE C 22 -6.075 -2.570 -1.327 1.00 0.00 H new ATOM 0 HA ILE C 22 -4.030 -2.159 -3.386 1.00 0.00 H new ATOM 0 HB ILE C 22 -3.641 -3.863 -1.945 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -3.710 -5.923 -3.325 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -4.935 -5.212 -4.357 1.00 0.00 H new ATOM 0 HG21 ILE C 22 -5.226 -5.735 -1.451 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -5.836 -4.157 -0.898 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -6.478 -4.886 -2.389 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -2.704 -5.023 -5.388 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.356 -3.410 -5.013 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -2.112 -4.132 -3.965 1.00 0.00 H new ATOM 1954 N LEU C 23 -5.745 -1.745 -5.196 1.00 0.00 N ATOM 1955 CA LEU C 23 -6.699 -1.591 -6.285 1.00 0.00 C ATOM 1956 C LEU C 23 -6.610 -2.739 -7.288 1.00 0.00 C ATOM 1957 O LEU C 23 -7.588 -3.036 -7.969 1.00 0.00 O ATOM 1958 CB LEU C 23 -6.490 -0.253 -7.004 1.00 0.00 C ATOM 1959 CG LEU C 23 -6.339 0.937 -6.048 1.00 0.00 C ATOM 1960 CD1 LEU C 23 -6.383 2.229 -6.845 1.00 0.00 C ATOM 1961 CD2 LEU C 23 -7.446 1.028 -5.005 1.00 0.00 C ATOM 0 H LEU C 23 -4.977 -1.074 -5.206 1.00 0.00 H new ATOM 0 HA LEU C 23 -7.695 -1.609 -5.842 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -5.601 -0.321 -7.630 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -7.335 -0.071 -7.668 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.390 0.787 -5.533 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.276 3.077 -6.169 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -5.569 2.237 -7.570 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.336 2.301 -7.369 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -7.273 1.893 -4.365 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -8.409 1.133 -5.505 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -7.449 0.123 -4.398 1.00 0.00 H new ATOM 1973 N GLY C 24 -5.448 -3.390 -7.391 1.00 0.00 N ATOM 1974 CA GLY C 24 -5.295 -4.543 -8.266 1.00 0.00 C ATOM 1975 C GLY C 24 -3.832 -4.917 -8.481 1.00 0.00 C ATOM 1976 O GLY C 24 -2.933 -4.274 -7.942 1.00 0.00 O ATOM 0 H GLY C 24 -4.604 -3.135 -6.878 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -5.826 -5.394 -7.839 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -5.758 -4.329 -9.229 1.00 0.00 H new ATOM 1980 N VAL C 25 -3.599 -5.970 -9.277 1.00 0.00 N ATOM 1981 CA VAL C 25 -2.248 -6.388 -9.622 1.00 0.00 C ATOM 1982 C VAL C 25 -2.121 -6.608 -11.123 1.00 0.00 C ATOM 1983 O VAL C 25 -3.115 -6.720 -11.841 1.00 0.00 O ATOM 1984 CB VAL C 25 -1.846 -7.679 -8.893 1.00 0.00 C ATOM 1985 CG1 VAL C 25 -2.009 -7.542 -7.381 1.00 0.00 C ATOM 1986 CG2 VAL C 25 -2.664 -8.867 -9.396 1.00 0.00 C ATOM 0 H VAL C 25 -4.334 -6.543 -9.690 1.00 0.00 H new ATOM 0 HA VAL C 25 -1.579 -5.587 -9.307 1.00 0.00 H new ATOM 0 HB VAL C 25 -0.793 -7.857 -9.110 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -1.716 -8.474 -6.898 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -1.377 -6.731 -7.019 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -3.051 -7.323 -7.146 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -2.361 -9.769 -8.864 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -3.723 -8.680 -9.219 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -2.493 -9.001 -10.464 1.00 0.00 H new ATOM 1996 N SER C 26 -0.871 -6.663 -11.584 1.00 0.00 N ATOM 1997 CA SER C 26 -0.500 -6.953 -12.957 1.00 0.00 C ATOM 1998 C SER C 26 0.876 -7.613 -12.922 1.00 0.00 C ATOM 1999 O SER C 26 1.867 -7.034 -13.369 1.00 0.00 O ATOM 2000 CB SER C 26 -0.476 -5.672 -13.792 1.00 0.00 C ATOM 2001 OG SER C 26 -1.776 -5.143 -13.940 1.00 0.00 O ATOM 0 H SER C 26 -0.063 -6.500 -10.983 1.00 0.00 H new ATOM 0 HA SER C 26 -1.227 -7.618 -13.422 1.00 0.00 H new ATOM 0 HB2 SER C 26 0.169 -4.934 -13.315 1.00 0.00 H new ATOM 0 HB3 SER C 26 -0.050 -5.881 -14.773 1.00 0.00 H new ATOM 0 HG SER C 26 -2.406 -5.667 -13.402 1.00 0.00 H new ATOM 2007 N GLY C 27 0.931 -8.831 -12.376 1.00 0.00 N ATOM 2008 CA GLY C 27 2.193 -9.532 -12.225 1.00 0.00 C ATOM 2009 C GLY C 27 2.975 -8.924 -11.075 1.00 0.00 C ATOM 2010 O GLY C 27 2.422 -8.685 -10.002 1.00 0.00 O ATOM 0 H GLY C 27 0.117 -9.343 -12.035 1.00 0.00 H new ATOM 0 HA2 GLY C 27 2.013 -10.590 -12.037 1.00 0.00 H new ATOM 0 HA3 GLY C 27 2.771 -9.466 -13.147 1.00 0.00 H new ATOM 2014 N GLN C 28 4.266 -8.671 -11.295 1.00 0.00 N ATOM 2015 CA GLN C 28 5.100 -8.017 -10.302 1.00 0.00 C ATOM 2016 C GLN C 28 4.638 -6.581 -10.068 1.00 0.00 C ATOM 2017 O GLN C 28 5.033 -5.982 -9.068 1.00 0.00 O ATOM 2018 CB GLN C 28 6.562 -8.026 -10.757 1.00 0.00 C ATOM 2019 CG GLN C 28 7.228 -9.386 -10.520 1.00 0.00 C ATOM 2020 CD GLN C 28 6.363 -10.556 -10.973 1.00 0.00 C ATOM 2021 OE1 GLN C 28 6.276 -10.858 -12.161 1.00 0.00 O ATOM 2022 NE2 GLN C 28 5.712 -11.227 -10.021 1.00 0.00 N ATOM 0 H GLN C 28 4.753 -8.913 -12.158 1.00 0.00 H new ATOM 0 HA GLN C 28 5.012 -8.566 -9.364 1.00 0.00 H new ATOM 0 HB2 GLN C 28 6.614 -7.777 -11.817 1.00 0.00 H new ATOM 0 HB3 GLN C 28 7.113 -7.254 -10.221 1.00 0.00 H new ATOM 0 HG2 GLN C 28 8.179 -9.417 -11.051 1.00 0.00 H new ATOM 0 HG3 GLN C 28 7.452 -9.495 -9.459 1.00 0.00 H new ATOM 0 HE21 GLN C 28 5.808 -10.948 -9.044 1.00 0.00 H new ATOM 0 HE22 GLN C 28 5.119 -12.019 -10.270 1.00 0.00 H new ATOM 2031 N GLN C 29 3.811 -6.020 -10.959 1.00 0.00 N ATOM 2032 CA GLN C 29 3.288 -4.681 -10.770 1.00 0.00 C ATOM 2033 C GLN C 29 2.029 -4.748 -9.917 1.00 0.00 C ATOM 2034 O GLN C 29 1.268 -5.713 -9.987 1.00 0.00 O ATOM 2035 CB GLN C 29 2.994 -4.054 -12.135 1.00 0.00 C ATOM 2036 CG GLN C 29 2.931 -2.529 -12.026 1.00 0.00 C ATOM 2037 CD GLN C 29 4.314 -1.896 -12.127 1.00 0.00 C ATOM 2038 OE1 GLN C 29 4.777 -1.252 -11.192 1.00 0.00 O ATOM 2039 NE2 GLN C 29 4.982 -2.074 -13.262 1.00 0.00 N ATOM 0 H GLN C 29 3.496 -6.480 -11.813 1.00 0.00 H new ATOM 0 HA GLN C 29 4.021 -4.060 -10.256 1.00 0.00 H new ATOM 0 HB2 GLN C 29 3.768 -4.341 -12.847 1.00 0.00 H new ATOM 0 HB3 GLN C 29 2.048 -4.436 -12.520 1.00 0.00 H new ATOM 0 HG2 GLN C 29 2.292 -2.134 -12.816 1.00 0.00 H new ATOM 0 HG3 GLN C 29 2.473 -2.251 -11.077 1.00 0.00 H new ATOM 0 HE21 GLN C 29 4.566 -2.616 -14.019 1.00 0.00 H new ATOM 0 HE22 GLN C 29 5.911 -1.669 -13.376 1.00 0.00 H new ATOM 2048 N VAL C 30 1.805 -3.716 -9.103 1.00 0.00 N ATOM 2049 CA VAL C 30 0.686 -3.659 -8.185 1.00 0.00 C ATOM 2050 C VAL C 30 0.168 -2.226 -8.157 1.00 0.00 C ATOM 2051 O VAL C 30 0.944 -1.305 -7.897 1.00 0.00 O ATOM 2052 CB VAL C 30 1.183 -4.085 -6.795 1.00 0.00 C ATOM 2053 CG1 VAL C 30 0.034 -4.127 -5.797 1.00 0.00 C ATOM 2054 CG2 VAL C 30 1.809 -5.480 -6.831 1.00 0.00 C ATOM 0 H VAL C 30 2.406 -2.892 -9.068 1.00 0.00 H new ATOM 0 HA VAL C 30 -0.120 -4.324 -8.494 1.00 0.00 H new ATOM 0 HB VAL C 30 1.927 -3.348 -6.492 1.00 0.00 H new ATOM 0 HG11 VAL C 30 0.411 -4.431 -4.821 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.417 -3.138 -5.720 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -0.716 -4.842 -6.135 1.00 0.00 H new ATOM 0 HG21 VAL C 30 2.150 -5.751 -5.832 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.067 -6.203 -7.170 1.00 0.00 H new ATOM 0 HG23 VAL C 30 2.656 -5.481 -7.517 1.00 0.00 H new ATOM 2064 N ARG C 31 -1.127 -2.024 -8.423 1.00 0.00 N ATOM 2065 CA ARG C 31 -1.709 -0.690 -8.374 1.00 0.00 C ATOM 2066 C ARG C 31 -2.327 -0.497 -6.994 1.00 0.00 C ATOM 2067 O ARG C 31 -3.101 -1.336 -6.530 1.00 0.00 O ATOM 2068 CB ARG C 31 -2.754 -0.502 -9.479 1.00 0.00 C ATOM 2069 CG ARG C 31 -3.007 0.999 -9.687 1.00 0.00 C ATOM 2070 CD ARG C 31 -4.165 1.284 -10.650 1.00 0.00 C ATOM 2071 NE ARG C 31 -4.003 0.577 -11.933 1.00 0.00 N ATOM 2072 CZ ARG C 31 -3.727 1.163 -13.102 1.00 0.00 C ATOM 2073 NH1 ARG C 31 -3.527 2.475 -13.184 1.00 0.00 N ATOM 2074 NH2 ARG C 31 -3.642 0.431 -14.207 1.00 0.00 N ATOM 0 H ARG C 31 -1.783 -2.765 -8.672 1.00 0.00 H new ATOM 0 HA ARG C 31 -0.936 0.060 -8.543 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -2.405 -0.956 -10.407 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -3.682 -1.005 -9.207 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -3.220 1.463 -8.724 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -2.099 1.465 -10.071 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -5.104 0.983 -10.186 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -4.229 2.357 -10.833 1.00 0.00 H new ATOM 0 HE ARG C 31 -4.110 -0.437 -11.928 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -3.583 3.053 -12.345 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -3.317 2.904 -14.086 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -3.787 -0.578 -14.163 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -3.431 0.877 -15.100 1.00 0.00 H new ATOM 2088 N ILE C 32 -1.981 0.610 -6.340 1.00 0.00 N ATOM 2089 CA ILE C 32 -2.338 0.843 -4.953 1.00 0.00 C ATOM 2090 C ILE C 32 -2.927 2.238 -4.821 1.00 0.00 C ATOM 2091 O ILE C 32 -2.626 3.117 -5.625 1.00 0.00 O ATOM 2092 CB ILE C 32 -1.088 0.696 -4.065 1.00 0.00 C ATOM 2093 CG1 ILE C 32 -0.168 -0.423 -4.585 1.00 0.00 C ATOM 2094 CG2 ILE C 32 -1.518 0.433 -2.619 1.00 0.00 C ATOM 2095 CD1 ILE C 32 1.016 -0.704 -3.655 1.00 0.00 C ATOM 0 H ILE C 32 -1.445 1.368 -6.762 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.079 0.112 -4.630 1.00 0.00 H new ATOM 0 HB ILE C 32 -0.517 1.624 -4.100 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -0.750 -1.336 -4.709 1.00 0.00 H new ATOM 0 HG13 ILE C 32 0.208 -0.148 -5.570 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -0.634 0.329 -1.990 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -2.122 1.267 -2.261 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.105 -0.485 -2.575 1.00 0.00 H new ATOM 0 HD11 ILE C 32 1.628 -1.502 -4.076 1.00 0.00 H new ATOM 0 HD12 ILE C 32 1.619 0.198 -3.550 1.00 0.00 H new ATOM 0 HD13 ILE C 32 0.646 -1.008 -2.676 1.00 0.00 H new ATOM 2107 N GLY C 33 -3.759 2.438 -3.802 1.00 0.00 N ATOM 2108 CA GLY C 33 -4.381 3.722 -3.528 1.00 0.00 C ATOM 2109 C GLY C 33 -4.108 4.133 -2.089 1.00 0.00 C ATOM 2110 O GLY C 33 -3.972 3.279 -1.214 1.00 0.00 O ATOM 0 H GLY C 33 -4.020 1.706 -3.141 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -3.992 4.477 -4.211 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -5.456 3.659 -3.700 1.00 0.00 H new ATOM 2114 N ILE C 34 -4.032 5.442 -1.854 1.00 0.00 N ATOM 2115 CA ILE C 34 -3.812 6.009 -0.533 1.00 0.00 C ATOM 2116 C ILE C 34 -4.786 7.162 -0.370 1.00 0.00 C ATOM 2117 O ILE C 34 -4.987 7.952 -1.294 1.00 0.00 O ATOM 2118 CB ILE C 34 -2.366 6.509 -0.363 1.00 0.00 C ATOM 2119 CG1 ILE C 34 -1.318 5.405 -0.585 1.00 0.00 C ATOM 2120 CG2 ILE C 34 -2.198 7.031 1.064 1.00 0.00 C ATOM 2121 CD1 ILE C 34 -0.897 5.301 -2.051 1.00 0.00 C ATOM 0 H ILE C 34 -4.123 6.144 -2.588 1.00 0.00 H new ATOM 0 HA ILE C 34 -3.973 5.245 0.227 1.00 0.00 H new ATOM 0 HB ILE C 34 -2.202 7.283 -1.113 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -0.442 5.608 0.030 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -1.724 4.448 -0.256 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -1.178 7.390 1.202 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -2.897 7.849 1.237 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -2.399 6.227 1.772 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -0.156 4.509 -2.161 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -1.768 5.071 -2.664 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -0.466 6.249 -2.374 1.00 0.00 H new ATOM 2133 N ASN C 35 -5.392 7.258 0.810 1.00 0.00 N ATOM 2134 CA ASN C 35 -6.455 8.213 1.058 1.00 0.00 C ATOM 2135 C ASN C 35 -6.249 8.862 2.423 1.00 0.00 C ATOM 2136 O ASN C 35 -6.493 8.248 3.461 1.00 0.00 O ATOM 2137 CB ASN C 35 -7.786 7.464 0.946 1.00 0.00 C ATOM 2138 CG ASN C 35 -8.958 8.404 0.712 1.00 0.00 C ATOM 2139 OD1 ASN C 35 -9.012 9.504 1.257 1.00 0.00 O ATOM 2140 ND2 ASN C 35 -9.910 7.967 -0.110 1.00 0.00 N ATOM 0 H ASN C 35 -5.158 6.677 1.615 1.00 0.00 H new ATOM 0 HA ASN C 35 -6.454 9.023 0.328 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -7.729 6.747 0.127 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -7.957 6.893 1.859 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -10.722 8.552 -0.307 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -9.827 7.047 -0.543 1.00 0.00 H new ATOM 2147 N ALA C 36 -5.790 10.110 2.396 1.00 0.00 N ATOM 2148 CA ALA C 36 -5.457 10.879 3.584 1.00 0.00 C ATOM 2149 C ALA C 36 -5.692 12.365 3.323 1.00 0.00 C ATOM 2150 O ALA C 36 -5.783 12.776 2.163 1.00 0.00 O ATOM 2151 CB ALA C 36 -3.981 10.635 3.888 1.00 0.00 C ATOM 0 H ALA C 36 -5.637 10.623 1.528 1.00 0.00 H new ATOM 0 HA ALA C 36 -6.080 10.576 4.426 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -3.695 11.198 4.776 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -3.817 9.572 4.064 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -3.376 10.961 3.041 1.00 0.00 H new ATOM 2157 N PRO C 37 -5.798 13.187 4.376 1.00 0.00 N ATOM 2158 CA PRO C 37 -5.914 14.631 4.243 1.00 0.00 C ATOM 2159 C PRO C 37 -4.640 15.214 3.641 1.00 0.00 C ATOM 2160 O PRO C 37 -3.562 14.641 3.778 1.00 0.00 O ATOM 2161 CB PRO C 37 -6.135 15.143 5.666 1.00 0.00 C ATOM 2162 CG PRO C 37 -5.556 14.054 6.562 1.00 0.00 C ATOM 2163 CD PRO C 37 -5.811 12.776 5.768 1.00 0.00 C ATOM 0 HA PRO C 37 -6.728 14.922 3.580 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -5.632 16.097 5.826 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -7.194 15.302 5.870 1.00 0.00 H new ATOM 0 HG2 PRO C 37 -4.493 14.208 6.747 1.00 0.00 H new ATOM 0 HG3 PRO C 37 -6.048 14.029 7.534 1.00 0.00 H new ATOM 0 HD2 PRO C 37 -5.042 12.029 5.966 1.00 0.00 H new ATOM 0 HD3 PRO C 37 -6.767 12.328 6.038 1.00 0.00 H new ATOM 2171 N LYS C 38 -4.747 16.368 2.969 1.00 0.00 N ATOM 2172 CA LYS C 38 -3.578 17.034 2.404 1.00 0.00 C ATOM 2173 C LYS C 38 -2.715 17.626 3.518 1.00 0.00 C ATOM 2174 O LYS C 38 -1.670 18.213 3.247 1.00 0.00 O ATOM 2175 CB LYS C 38 -4.022 18.095 1.391 1.00 0.00 C ATOM 2176 CG LYS C 38 -4.736 17.427 0.209 1.00 0.00 C ATOM 2177 CD LYS C 38 -3.753 16.662 -0.685 1.00 0.00 C ATOM 2178 CE LYS C 38 -3.199 17.551 -1.797 1.00 0.00 C ATOM 2179 NZ LYS C 38 -4.268 17.972 -2.723 1.00 0.00 N ATOM 0 H LYS C 38 -5.629 16.854 2.807 1.00 0.00 H new ATOM 0 HA LYS C 38 -2.964 16.307 1.873 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -4.689 18.811 1.871 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -3.157 18.654 1.035 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -5.497 16.742 0.583 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -5.251 18.185 -0.381 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -2.931 16.280 -0.080 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -4.254 15.799 -1.123 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -2.724 18.430 -1.361 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -2.428 17.012 -2.348 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -3.861 18.159 -3.661 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -4.979 17.217 -2.799 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -4.719 18.837 -2.362 1.00 0.00 H new ATOM 2193 N ASP C 39 -3.157 17.467 4.768 1.00 0.00 N ATOM 2194 CA ASP C 39 -2.380 17.796 5.954 1.00 0.00 C ATOM 2195 C ASP C 39 -1.210 16.823 6.115 1.00 0.00 C ATOM 2196 O ASP C 39 -0.371 17.004 6.996 1.00 0.00 O ATOM 2197 CB ASP C 39 -3.289 17.736 7.180 1.00 0.00 C ATOM 2198 CG ASP C 39 -4.323 18.860 7.149 1.00 0.00 C ATOM 2199 OD1 ASP C 39 -3.973 19.972 7.600 1.00 0.00 O ATOM 2200 OD2 ASP C 39 -5.450 18.595 6.673 1.00 0.00 O ATOM 0 H ASP C 39 -4.084 17.098 4.983 1.00 0.00 H new ATOM 0 HA ASP C 39 -1.973 18.802 5.850 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -3.796 16.772 7.215 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -2.689 17.814 8.087 1.00 0.00 H new ATOM 2205 N VAL C 40 -1.158 15.791 5.266 1.00 0.00 N ATOM 2206 CA VAL C 40 -0.076 14.816 5.234 1.00 0.00 C ATOM 2207 C VAL C 40 0.299 14.555 3.777 1.00 0.00 C ATOM 2208 O VAL C 40 -0.421 14.966 2.867 1.00 0.00 O ATOM 2209 CB VAL C 40 -0.479 13.522 5.962 1.00 0.00 C ATOM 2210 CG1 VAL C 40 -0.892 13.813 7.404 1.00 0.00 C ATOM 2211 CG2 VAL C 40 -1.655 12.817 5.295 1.00 0.00 C ATOM 0 H VAL C 40 -1.883 15.612 4.571 1.00 0.00 H new ATOM 0 HA VAL C 40 0.794 15.209 5.760 1.00 0.00 H new ATOM 0 HB VAL C 40 0.401 12.880 5.925 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -1.172 12.882 7.897 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -0.057 14.269 7.937 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -1.741 14.496 7.408 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -1.898 11.910 5.849 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -2.520 13.480 5.288 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.389 12.556 4.271 1.00 0.00 H new ATOM 2221 N ALA C 41 1.425 13.879 3.543 1.00 0.00 N ATOM 2222 CA ALA C 41 1.933 13.696 2.196 1.00 0.00 C ATOM 2223 C ALA C 41 2.100 12.218 1.864 1.00 0.00 C ATOM 2224 O ALA C 41 2.194 11.385 2.767 1.00 0.00 O ATOM 2225 CB ALA C 41 3.267 14.432 2.076 1.00 0.00 C ATOM 0 H ALA C 41 1.997 13.452 4.272 1.00 0.00 H new ATOM 0 HA ALA C 41 1.218 14.105 1.482 1.00 0.00 H new ATOM 0 HB1 ALA C 41 3.663 14.305 1.069 1.00 0.00 H new ATOM 0 HB2 ALA C 41 3.116 15.493 2.275 1.00 0.00 H new ATOM 0 HB3 ALA C 41 3.974 14.024 2.798 1.00 0.00 H new ATOM 2231 N VAL C 42 2.139 11.896 0.569 1.00 0.00 N ATOM 2232 CA VAL C 42 2.304 10.524 0.095 1.00 0.00 C ATOM 2233 C VAL C 42 3.132 10.528 -1.190 1.00 0.00 C ATOM 2234 O VAL C 42 2.840 11.298 -2.102 1.00 0.00 O ATOM 2235 CB VAL C 42 0.934 9.868 -0.151 1.00 0.00 C ATOM 2236 CG1 VAL C 42 -0.015 10.052 1.033 1.00 0.00 C ATOM 2237 CG2 VAL C 42 0.209 10.437 -1.372 1.00 0.00 C ATOM 0 H VAL C 42 2.057 12.583 -0.181 1.00 0.00 H new ATOM 0 HA VAL C 42 2.824 9.943 0.857 1.00 0.00 H new ATOM 0 HB VAL C 42 1.168 8.815 -0.307 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -0.969 9.572 0.813 1.00 0.00 H new ATOM 0 HG12 VAL C 42 0.422 9.599 1.923 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -0.176 11.116 1.208 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -0.750 9.934 -1.493 1.00 0.00 H new ATOM 0 HG22 VAL C 42 0.044 11.505 -1.232 1.00 0.00 H new ATOM 0 HG23 VAL C 42 0.817 10.278 -2.263 1.00 0.00 H new ATOM 2247 N HIS C 43 4.163 9.679 -1.281 1.00 0.00 N ATOM 2248 CA HIS C 43 4.944 9.558 -2.509 1.00 0.00 C ATOM 2249 C HIS C 43 5.709 8.245 -2.560 1.00 0.00 C ATOM 2250 O HIS C 43 5.820 7.542 -1.554 1.00 0.00 O ATOM 2251 CB HIS C 43 5.998 10.674 -2.631 1.00 0.00 C ATOM 2252 CG HIS C 43 5.621 12.024 -2.093 1.00 0.00 C ATOM 2253 ND1 HIS C 43 5.047 13.063 -2.829 1.00 0.00 N ATOM 2254 CD2 HIS C 43 5.801 12.426 -0.802 1.00 0.00 C ATOM 2255 CE1 HIS C 43 4.897 14.071 -1.956 1.00 0.00 C ATOM 2256 NE2 HIS C 43 5.343 13.718 -0.736 1.00 0.00 N ATOM 0 H HIS C 43 4.471 9.071 -0.522 1.00 0.00 H new ATOM 0 HA HIS C 43 4.218 9.620 -3.319 1.00 0.00 H new ATOM 0 HB2 HIS C 43 6.902 10.345 -2.119 1.00 0.00 H new ATOM 0 HB3 HIS C 43 6.252 10.787 -3.685 1.00 0.00 H new ATOM 0 HD1 HIS C 43 4.796 13.057 -3.818 1.00 0.00 H new ATOM 0 HD2 HIS C 43 6.220 11.844 0.006 1.00 0.00 H new ATOM 0 HE1 HIS C 43 4.475 15.035 -2.199 1.00 0.00 H new ATOM 2264 N ARG C 44 6.243 7.920 -3.741 1.00 0.00 N ATOM 2265 CA ARG C 44 7.183 6.818 -3.913 1.00 0.00 C ATOM 2266 C ARG C 44 8.409 7.102 -3.051 1.00 0.00 C ATOM 2267 O ARG C 44 8.724 8.263 -2.791 1.00 0.00 O ATOM 2268 CB ARG C 44 7.565 6.741 -5.396 1.00 0.00 C ATOM 2269 CG ARG C 44 8.500 5.571 -5.719 1.00 0.00 C ATOM 2270 CD ARG C 44 8.939 5.675 -7.180 1.00 0.00 C ATOM 2271 NE ARG C 44 9.742 4.514 -7.582 1.00 0.00 N ATOM 2272 CZ ARG C 44 10.601 4.513 -8.607 1.00 0.00 C ATOM 2273 NH1 ARG C 44 10.820 5.616 -9.319 1.00 0.00 N ATOM 2274 NH2 ARG C 44 11.249 3.397 -8.923 1.00 0.00 N ATOM 0 H ARG C 44 6.032 8.418 -4.606 1.00 0.00 H new ATOM 0 HA ARG C 44 6.747 5.866 -3.610 1.00 0.00 H new ATOM 0 HB2 ARG C 44 6.658 6.649 -5.994 1.00 0.00 H new ATOM 0 HB3 ARG C 44 8.046 7.674 -5.689 1.00 0.00 H new ATOM 0 HG2 ARG C 44 9.370 5.591 -5.062 1.00 0.00 H new ATOM 0 HG3 ARG C 44 7.991 4.623 -5.545 1.00 0.00 H new ATOM 0 HD2 ARG C 44 8.061 5.751 -7.821 1.00 0.00 H new ATOM 0 HD3 ARG C 44 9.518 6.587 -7.323 1.00 0.00 H new ATOM 0 HE ARG C 44 9.638 3.653 -7.045 1.00 0.00 H new ATOM 0 HH11 ARG C 44 10.329 6.479 -9.086 1.00 0.00 H new ATOM 0 HH12 ARG C 44 11.479 5.598 -10.098 1.00 0.00 H new ATOM 0 HH21 ARG C 44 11.090 2.545 -8.385 1.00 0.00 H new ATOM 0 HH22 ARG C 44 11.905 3.392 -9.704 1.00 0.00 H new ATOM 2288 N GLU C 45 9.107 6.058 -2.601 1.00 0.00 N ATOM 2289 CA GLU C 45 10.273 6.233 -1.743 1.00 0.00 C ATOM 2290 C GLU C 45 11.363 7.056 -2.438 1.00 0.00 C ATOM 2291 O GLU C 45 12.182 7.689 -1.779 1.00 0.00 O ATOM 2292 CB GLU C 45 10.770 4.846 -1.325 1.00 0.00 C ATOM 2293 CG GLU C 45 11.662 4.904 -0.085 1.00 0.00 C ATOM 2294 CD GLU C 45 13.095 5.332 -0.376 1.00 0.00 C ATOM 2295 OE1 GLU C 45 13.653 4.862 -1.393 1.00 0.00 O ATOM 2296 OE2 GLU C 45 13.618 6.130 0.432 1.00 0.00 O ATOM 0 H GLU C 45 8.884 5.087 -2.817 1.00 0.00 H new ATOM 0 HA GLU C 45 9.999 6.799 -0.852 1.00 0.00 H new ATOM 0 HB2 GLU C 45 9.915 4.200 -1.126 1.00 0.00 H new ATOM 0 HB3 GLU C 45 11.324 4.397 -2.149 1.00 0.00 H new ATOM 0 HG2 GLU C 45 11.225 5.597 0.633 1.00 0.00 H new ATOM 0 HG3 GLU C 45 11.675 3.922 0.388 1.00 0.00 H new ATOM 2303 N GLU C 46 11.379 7.056 -3.774 1.00 0.00 N ATOM 2304 CA GLU C 46 12.325 7.862 -4.536 1.00 0.00 C ATOM 2305 C GLU C 46 11.919 9.334 -4.517 1.00 0.00 C ATOM 2306 O GLU C 46 12.756 10.194 -4.247 1.00 0.00 O ATOM 2307 CB GLU C 46 12.374 7.367 -5.980 1.00 0.00 C ATOM 2308 CG GLU C 46 13.144 6.050 -6.092 1.00 0.00 C ATOM 2309 CD GLU C 46 14.624 6.225 -5.749 1.00 0.00 C ATOM 2310 OE1 GLU C 46 15.170 7.314 -6.041 1.00 0.00 O ATOM 2311 OE2 GLU C 46 15.207 5.266 -5.193 1.00 0.00 O ATOM 0 H GLU C 46 10.743 6.503 -4.348 1.00 0.00 H new ATOM 0 HA GLU C 46 13.310 7.765 -4.078 1.00 0.00 H new ATOM 0 HB2 GLU C 46 11.359 7.230 -6.354 1.00 0.00 H new ATOM 0 HB3 GLU C 46 12.847 8.121 -6.609 1.00 0.00 H new ATOM 0 HG2 GLU C 46 12.701 5.312 -5.423 1.00 0.00 H new ATOM 0 HG3 GLU C 46 13.050 5.659 -7.105 1.00 0.00 H new ATOM 2318 N ILE C 47 10.646 9.642 -4.797 1.00 0.00 N ATOM 2319 CA ILE C 47 10.180 11.022 -4.829 1.00 0.00 C ATOM 2320 C ILE C 47 10.289 11.611 -3.424 1.00 0.00 C ATOM 2321 O ILE C 47 10.419 12.820 -3.267 1.00 0.00 O ATOM 2322 CB ILE C 47 8.732 11.075 -5.349 1.00 0.00 C ATOM 2323 CG1 ILE C 47 8.660 11.027 -6.882 1.00 0.00 C ATOM 2324 CG2 ILE C 47 8.041 12.378 -4.936 1.00 0.00 C ATOM 2325 CD1 ILE C 47 9.349 9.814 -7.510 1.00 0.00 C ATOM 0 H ILE C 47 9.926 8.950 -5.004 1.00 0.00 H new ATOM 0 HA ILE C 47 10.796 11.613 -5.506 1.00 0.00 H new ATOM 0 HB ILE C 47 8.241 10.204 -4.915 1.00 0.00 H new ATOM 0 HG12 ILE C 47 7.613 11.032 -7.185 1.00 0.00 H new ATOM 0 HG13 ILE C 47 9.112 11.934 -7.283 1.00 0.00 H new ATOM 0 HG21 ILE C 47 7.020 12.385 -5.318 1.00 0.00 H new ATOM 0 HG22 ILE C 47 8.022 12.451 -3.849 1.00 0.00 H new ATOM 0 HG23 ILE C 47 8.588 13.226 -5.347 1.00 0.00 H new ATOM 0 HD11 ILE C 47 9.250 9.860 -8.594 1.00 0.00 H new ATOM 0 HD12 ILE C 47 10.405 9.816 -7.242 1.00 0.00 H new ATOM 0 HD13 ILE C 47 8.883 8.900 -7.142 1.00 0.00 H new ATOM 2337 N TYR C 48 10.235 10.751 -2.406 1.00 0.00 N ATOM 2338 CA TYR C 48 10.369 11.162 -1.022 1.00 0.00 C ATOM 2339 C TYR C 48 11.709 11.864 -0.816 1.00 0.00 C ATOM 2340 O TYR C 48 11.741 12.973 -0.297 1.00 0.00 O ATOM 2341 CB TYR C 48 10.280 9.910 -0.150 1.00 0.00 C ATOM 2342 CG TYR C 48 10.209 10.149 1.336 1.00 0.00 C ATOM 2343 CD1 TYR C 48 9.184 10.920 1.899 1.00 0.00 C ATOM 2344 CD2 TYR C 48 11.192 9.578 2.155 1.00 0.00 C ATOM 2345 CE1 TYR C 48 9.138 11.128 3.285 1.00 0.00 C ATOM 2346 CE2 TYR C 48 11.156 9.782 3.540 1.00 0.00 C ATOM 2347 CZ TYR C 48 10.130 10.559 4.111 1.00 0.00 C ATOM 2348 OH TYR C 48 10.102 10.760 5.458 1.00 0.00 O ATOM 0 H TYR C 48 10.096 9.748 -2.527 1.00 0.00 H new ATOM 0 HA TYR C 48 9.578 11.861 -0.751 1.00 0.00 H new ATOM 0 HB2 TYR C 48 9.399 9.343 -0.450 1.00 0.00 H new ATOM 0 HB3 TYR C 48 11.148 9.284 -0.357 1.00 0.00 H new ATOM 0 HD1 TYR C 48 8.427 11.356 1.264 1.00 0.00 H new ATOM 0 HD2 TYR C 48 11.978 8.980 1.718 1.00 0.00 H new ATOM 0 HE1 TYR C 48 8.346 11.721 3.718 1.00 0.00 H new ATOM 0 HE2 TYR C 48 11.915 9.343 4.170 1.00 0.00 H new ATOM 0 HH TYR C 48 9.724 11.644 5.649 1.00 0.00 H new