USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ARG N :NH3+ 160:sc= 0.00684 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc=-0.000274 USER MOD Single : A 11 THR OG1 : rot -37:sc= 1.13 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot -24:sc= -3.67! USER MOD Single : A 24 ASN : amide:sc= -3.62! C(o=-3.6!,f=-20!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.05 K(o=-1.1,f=-3.1!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.14 USER MOD Single : A 35 TYR OH : rot 169:sc= -4.64! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -5.31! C(o=-5.3!,f=-6.1!) USER MOD Single : A 44 ASN : amide:sc= -8.47! C(o=-8.5!,f=-19!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 148:sc= -3.57! USER MOD Single : A 52 MET CE :methyl 162:sc= -3.17! (180deg=-3.87!) USER MOD Single : A 54 THR OG1 : rot 101:sc= 0.0739 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 14.818 -5.499 5.114 1.00 0.00 N ATOM 2 CA ARG A 1 13.533 -4.998 4.544 1.00 0.00 C ATOM 3 C ARG A 1 12.450 -6.073 4.656 1.00 0.00 C ATOM 4 O ARG A 1 12.737 -7.253 4.617 1.00 0.00 O ATOM 5 CB ARG A 1 13.835 -4.703 3.073 1.00 0.00 C ATOM 6 CG ARG A 1 13.756 -3.194 2.825 1.00 0.00 C ATOM 7 CD ARG A 1 12.682 -2.899 1.774 1.00 0.00 C ATOM 8 NE ARG A 1 12.878 -1.466 1.421 1.00 0.00 N ATOM 9 CZ ARG A 1 13.705 -1.137 0.466 1.00 0.00 C ATOM 10 NH1 ARG A 1 14.529 -2.025 -0.020 1.00 0.00 N ATOM 11 NH2 ARG A 1 13.708 0.081 -0.001 1.00 0.00 N ATOM 0 H1 ARG A 1 15.607 -4.931 4.744 1.00 0.00 H new ATOM 0 H2 ARG A 1 14.792 -5.421 6.151 1.00 0.00 H new ATOM 0 H3 ARG A 1 14.952 -6.495 4.845 1.00 0.00 H new ATOM 0 HA ARG A 1 13.168 -4.117 5.071 1.00 0.00 H new ATOM 0 HB2 ARG A 1 14.827 -5.073 2.814 1.00 0.00 H new ATOM 0 HB3 ARG A 1 13.123 -5.225 2.433 1.00 0.00 H new ATOM 0 HG2 ARG A 1 13.521 -2.675 3.754 1.00 0.00 H new ATOM 0 HG3 ARG A 1 14.722 -2.820 2.486 1.00 0.00 H new ATOM 0 HD2 ARG A 1 12.797 -3.541 0.900 1.00 0.00 H new ATOM 0 HD3 ARG A 1 11.682 -3.076 2.170 1.00 0.00 H new ATOM 0 HE ARG A 1 12.366 -0.742 1.925 1.00 0.00 H new ATOM 0 HH11 ARG A 1 14.527 -2.977 0.346 1.00 0.00 H new ATOM 0 HH12 ARG A 1 15.175 -1.767 -0.766 1.00 0.00 H new ATOM 0 HH21 ARG A 1 13.065 0.775 0.380 1.00 0.00 H new ATOM 0 HH22 ARG A 1 14.354 0.340 -0.747 1.00 0.00 H new ATOM 27 N PRO A 2 11.232 -5.622 4.777 1.00 0.00 N ATOM 28 CA PRO A 2 10.078 -6.548 4.880 1.00 0.00 C ATOM 29 C PRO A 2 9.814 -7.227 3.543 1.00 0.00 C ATOM 30 O PRO A 2 10.211 -6.746 2.499 1.00 0.00 O ATOM 31 CB PRO A 2 8.912 -5.638 5.241 1.00 0.00 C ATOM 32 CG PRO A 2 9.316 -4.285 4.748 1.00 0.00 C ATOM 33 CD PRO A 2 10.817 -4.217 4.829 1.00 0.00 C ATOM 0 HA PRO A 2 10.243 -7.343 5.608 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.989 -5.972 4.768 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.734 -5.630 6.316 1.00 0.00 H new ATOM 0 HG2 PRO A 2 8.978 -4.131 3.723 1.00 0.00 H new ATOM 0 HG3 PRO A 2 8.861 -3.502 5.355 1.00 0.00 H new ATOM 0 HD2 PRO A 2 11.237 -3.645 4.002 1.00 0.00 H new ATOM 0 HD3 PRO A 2 11.147 -3.736 5.750 1.00 0.00 H new ATOM 41 N ASP A 3 9.128 -8.328 3.565 1.00 0.00 N ATOM 42 CA ASP A 3 8.816 -9.027 2.296 1.00 0.00 C ATOM 43 C ASP A 3 7.430 -8.606 1.814 1.00 0.00 C ATOM 44 O ASP A 3 7.140 -8.636 0.635 1.00 0.00 O ATOM 45 CB ASP A 3 8.838 -10.515 2.642 1.00 0.00 C ATOM 46 CG ASP A 3 9.522 -11.291 1.513 1.00 0.00 C ATOM 47 OD1 ASP A 3 9.535 -10.788 0.402 1.00 0.00 O ATOM 48 OD2 ASP A 3 10.021 -12.372 1.781 1.00 0.00 O ATOM 0 H ASP A 3 8.769 -8.775 4.409 1.00 0.00 H new ATOM 0 HA ASP A 3 9.524 -8.792 1.501 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.369 -10.673 3.580 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.821 -10.881 2.786 1.00 0.00 H new ATOM 53 N PHE A 4 6.567 -8.204 2.715 1.00 0.00 N ATOM 54 CA PHE A 4 5.204 -7.783 2.278 1.00 0.00 C ATOM 55 C PHE A 4 5.274 -6.491 1.469 1.00 0.00 C ATOM 56 O PHE A 4 4.442 -6.234 0.622 1.00 0.00 O ATOM 57 CB PHE A 4 4.367 -7.607 3.549 1.00 0.00 C ATOM 58 CG PHE A 4 4.889 -6.478 4.413 1.00 0.00 C ATOM 59 CD1 PHE A 4 4.440 -5.161 4.219 1.00 0.00 C ATOM 60 CD2 PHE A 4 5.806 -6.755 5.434 1.00 0.00 C ATOM 61 CE1 PHE A 4 4.910 -4.133 5.039 1.00 0.00 C ATOM 62 CE2 PHE A 4 6.277 -5.722 6.253 1.00 0.00 C ATOM 63 CZ PHE A 4 5.829 -4.411 6.055 1.00 0.00 C ATOM 0 H PHE A 4 6.745 -8.150 3.718 1.00 0.00 H new ATOM 0 HA PHE A 4 4.750 -8.530 1.627 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.330 -7.408 3.277 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.374 -8.535 4.120 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.730 -4.943 3.435 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.150 -7.767 5.590 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.563 -3.122 4.888 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.987 -5.937 7.038 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.193 -3.614 6.687 1.00 0.00 H new ATOM 73 N CYS A 5 6.263 -5.679 1.708 1.00 0.00 N ATOM 74 CA CYS A 5 6.376 -4.415 0.934 1.00 0.00 C ATOM 75 C CYS A 5 6.709 -4.742 -0.523 1.00 0.00 C ATOM 76 O CYS A 5 6.342 -4.028 -1.433 1.00 0.00 O ATOM 77 CB CYS A 5 7.515 -3.640 1.598 1.00 0.00 C ATOM 78 SG CYS A 5 6.923 -2.925 3.152 1.00 0.00 S ATOM 0 H CYS A 5 6.994 -5.835 2.402 1.00 0.00 H new ATOM 0 HA CYS A 5 5.453 -3.835 0.931 1.00 0.00 H new ATOM 0 HB2 CYS A 5 8.360 -4.303 1.787 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.870 -2.852 0.934 1.00 0.00 H new ATOM 83 N LEU A 6 7.392 -5.831 -0.749 1.00 0.00 N ATOM 84 CA LEU A 6 7.740 -6.220 -2.144 1.00 0.00 C ATOM 85 C LEU A 6 6.514 -6.823 -2.832 1.00 0.00 C ATOM 86 O LEU A 6 6.482 -6.992 -4.035 1.00 0.00 O ATOM 87 CB LEU A 6 8.845 -7.272 -2.005 1.00 0.00 C ATOM 88 CG LEU A 6 9.858 -6.830 -0.946 1.00 0.00 C ATOM 89 CD1 LEU A 6 11.112 -7.700 -1.046 1.00 0.00 C ATOM 90 CD2 LEU A 6 10.235 -5.365 -1.180 1.00 0.00 C ATOM 0 H LEU A 6 7.724 -6.469 -0.026 1.00 0.00 H new ATOM 0 HA LEU A 6 8.066 -5.370 -2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.411 -8.232 -1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.346 -7.414 -2.963 1.00 0.00 H new ATOM 0 HG LEU A 6 9.418 -6.938 0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.834 -7.386 -0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.845 -8.744 -0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.552 -7.591 -2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.956 -5.050 -0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.675 -5.256 -2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.342 -4.744 -1.110 1.00 0.00 H new ATOM 102 N GLU A 7 5.506 -7.153 -2.072 1.00 0.00 N ATOM 103 CA GLU A 7 4.280 -7.749 -2.674 1.00 0.00 C ATOM 104 C GLU A 7 3.407 -6.656 -3.290 1.00 0.00 C ATOM 105 O GLU A 7 3.592 -5.486 -3.019 1.00 0.00 O ATOM 106 CB GLU A 7 3.552 -8.418 -1.507 1.00 0.00 C ATOM 107 CG GLU A 7 4.039 -9.861 -1.358 1.00 0.00 C ATOM 108 CD GLU A 7 2.945 -10.821 -1.829 1.00 0.00 C ATOM 109 OE1 GLU A 7 1.807 -10.392 -1.921 1.00 0.00 O ATOM 110 OE2 GLU A 7 3.264 -11.970 -2.088 1.00 0.00 O ATOM 0 H GLU A 7 5.479 -7.035 -1.059 1.00 0.00 H new ATOM 0 HA GLU A 7 4.514 -8.455 -3.470 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.735 -7.865 -0.586 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.476 -8.403 -1.680 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.946 -10.012 -1.943 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.293 -10.065 -0.318 1.00 0.00 H new ATOM 117 N PRO A 8 2.478 -7.078 -4.100 1.00 0.00 N ATOM 118 CA PRO A 8 1.556 -6.125 -4.766 1.00 0.00 C ATOM 119 C PRO A 8 0.565 -5.553 -3.750 1.00 0.00 C ATOM 120 O PRO A 8 0.355 -6.122 -2.698 1.00 0.00 O ATOM 121 CB PRO A 8 0.843 -6.986 -5.807 1.00 0.00 C ATOM 122 CG PRO A 8 0.929 -8.382 -5.280 1.00 0.00 C ATOM 123 CD PRO A 8 2.197 -8.470 -4.470 1.00 0.00 C ATOM 0 HA PRO A 8 2.063 -5.269 -5.210 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.194 -6.675 -5.933 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.321 -6.902 -6.783 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.061 -8.616 -4.664 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.943 -9.103 -6.098 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.065 -9.099 -3.589 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.013 -8.901 -5.050 1.00 0.00 H new ATOM 131 N PRO A 9 -0.013 -4.438 -4.104 1.00 0.00 N ATOM 132 CA PRO A 9 -0.995 -3.772 -3.212 1.00 0.00 C ATOM 133 C PRO A 9 -2.292 -4.584 -3.136 1.00 0.00 C ATOM 134 O PRO A 9 -2.516 -5.487 -3.916 1.00 0.00 O ATOM 135 CB PRO A 9 -1.217 -2.414 -3.874 1.00 0.00 C ATOM 136 CG PRO A 9 -0.860 -2.617 -5.311 1.00 0.00 C ATOM 137 CD PRO A 9 0.186 -3.701 -5.356 1.00 0.00 C ATOM 0 HA PRO A 9 -0.650 -3.679 -2.182 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.252 -2.088 -3.767 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.592 -1.646 -3.417 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.738 -2.904 -5.890 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.478 -1.694 -5.748 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.055 -4.347 -6.224 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.191 -3.284 -5.418 1.00 0.00 H new ATOM 145 N TYR A 10 -3.143 -4.276 -2.193 1.00 0.00 N ATOM 146 CA TYR A 10 -4.422 -5.039 -2.057 1.00 0.00 C ATOM 147 C TYR A 10 -5.619 -4.125 -2.274 1.00 0.00 C ATOM 148 O TYR A 10 -6.109 -3.492 -1.359 1.00 0.00 O ATOM 149 CB TYR A 10 -4.415 -5.574 -0.623 1.00 0.00 C ATOM 150 CG TYR A 10 -5.619 -6.461 -0.410 1.00 0.00 C ATOM 151 CD1 TYR A 10 -5.708 -7.692 -1.071 1.00 0.00 C ATOM 152 CD2 TYR A 10 -6.649 -6.051 0.445 1.00 0.00 C ATOM 153 CE1 TYR A 10 -6.825 -8.514 -0.876 1.00 0.00 C ATOM 154 CE2 TYR A 10 -7.766 -6.872 0.640 1.00 0.00 C ATOM 155 CZ TYR A 10 -7.854 -8.103 -0.020 1.00 0.00 C ATOM 156 OH TYR A 10 -8.956 -8.913 0.173 1.00 0.00 O ATOM 0 H TYR A 10 -3.009 -3.530 -1.511 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.499 -5.838 -2.795 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.499 -6.135 -0.437 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.430 -4.746 0.085 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.914 -8.008 -1.732 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.582 -5.101 0.954 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.893 -9.464 -1.385 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.560 -6.555 1.300 1.00 0.00 H new ATOM 0 HH TYR A 10 -9.575 -8.480 0.797 1.00 0.00 H new ATOM 166 N THR A 11 -6.110 -4.075 -3.476 1.00 0.00 N ATOM 167 CA THR A 11 -7.293 -3.230 -3.756 1.00 0.00 C ATOM 168 C THR A 11 -8.470 -3.769 -2.946 1.00 0.00 C ATOM 169 O THR A 11 -9.421 -3.071 -2.661 1.00 0.00 O ATOM 170 CB THR A 11 -7.539 -3.376 -5.262 1.00 0.00 C ATOM 171 OG1 THR A 11 -6.708 -2.462 -5.964 1.00 0.00 O ATOM 172 CG2 THR A 11 -9.004 -3.074 -5.585 1.00 0.00 C ATOM 0 H THR A 11 -5.740 -4.585 -4.278 1.00 0.00 H new ATOM 0 HA THR A 11 -7.157 -2.183 -3.486 1.00 0.00 H new ATOM 0 HB THR A 11 -7.308 -4.397 -5.565 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.646 -1.623 -5.461 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.170 -3.180 -6.657 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.646 -3.772 -5.048 1.00 0.00 H new ATOM 0 HG23 THR A 11 -9.241 -2.055 -5.280 1.00 0.00 H new ATOM 180 N GLY A 12 -8.404 -5.020 -2.574 1.00 0.00 N ATOM 181 CA GLY A 12 -9.513 -5.620 -1.780 1.00 0.00 C ATOM 182 C GLY A 12 -10.796 -5.621 -2.613 1.00 0.00 C ATOM 183 O GLY A 12 -10.856 -5.008 -3.661 1.00 0.00 O ATOM 0 H GLY A 12 -7.631 -5.651 -2.786 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.256 -6.638 -1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.664 -5.054 -0.861 1.00 0.00 H new ATOM 187 N PRO A 13 -11.786 -6.315 -2.115 1.00 0.00 N ATOM 188 CA PRO A 13 -13.087 -6.398 -2.822 1.00 0.00 C ATOM 189 C PRO A 13 -13.867 -5.088 -2.664 1.00 0.00 C ATOM 190 O PRO A 13 -13.694 -4.161 -3.430 1.00 0.00 O ATOM 191 CB PRO A 13 -13.801 -7.551 -2.121 1.00 0.00 C ATOM 192 CG PRO A 13 -13.188 -7.622 -0.757 1.00 0.00 C ATOM 193 CD PRO A 13 -11.785 -7.079 -0.864 1.00 0.00 C ATOM 0 HA PRO A 13 -12.984 -6.558 -3.895 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -14.874 -7.371 -2.061 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -13.664 -8.487 -2.663 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -13.771 -7.040 -0.043 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -13.175 -8.650 -0.395 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -11.537 -6.446 -0.012 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.049 -7.882 -0.889 1.00 0.00 H new ATOM 201 N CYS A 14 -14.722 -5.004 -1.676 1.00 0.00 N ATOM 202 CA CYS A 14 -15.511 -3.753 -1.473 1.00 0.00 C ATOM 203 C CYS A 14 -15.972 -3.190 -2.821 1.00 0.00 C ATOM 204 O CYS A 14 -16.008 -3.886 -3.816 1.00 0.00 O ATOM 205 CB CYS A 14 -14.554 -2.783 -0.779 1.00 0.00 C ATOM 206 SG CYS A 14 -14.810 -2.861 1.011 1.00 0.00 S ATOM 0 H CYS A 14 -14.907 -5.747 -1.002 1.00 0.00 H new ATOM 0 HA CYS A 14 -16.410 -3.926 -0.881 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -13.522 -3.038 -1.021 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.724 -1.768 -1.138 1.00 0.00 H new ATOM 211 N LYS A 15 -16.328 -1.934 -2.860 1.00 0.00 N ATOM 212 CA LYS A 15 -16.791 -1.327 -4.144 1.00 0.00 C ATOM 213 C LYS A 15 -16.299 0.120 -4.253 1.00 0.00 C ATOM 214 O LYS A 15 -16.816 0.903 -5.024 1.00 0.00 O ATOM 215 CB LYS A 15 -18.330 -1.366 -4.104 1.00 0.00 C ATOM 216 CG LYS A 15 -18.841 -1.429 -2.656 1.00 0.00 C ATOM 217 CD LYS A 15 -18.334 -0.216 -1.871 1.00 0.00 C ATOM 218 CE LYS A 15 -19.517 0.514 -1.235 1.00 0.00 C ATOM 219 NZ LYS A 15 -18.963 1.827 -0.798 1.00 0.00 N ATOM 0 H LYS A 15 -16.319 -1.302 -2.060 1.00 0.00 H new ATOM 0 HA LYS A 15 -16.401 -1.869 -5.005 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.733 -0.482 -4.598 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.690 -2.232 -4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -19.931 -1.450 -2.646 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.500 -2.349 -2.181 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.634 -0.536 -1.099 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -17.791 0.458 -2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -20.331 0.646 -1.948 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -19.920 -0.046 -0.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -19.715 2.389 -0.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -18.195 1.670 -0.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.593 2.340 -1.624 1.00 0.00 H new ATOM 233 N ALA A 16 -15.311 0.483 -3.483 1.00 0.00 N ATOM 234 CA ALA A 16 -14.797 1.882 -3.543 1.00 0.00 C ATOM 235 C ALA A 16 -13.450 1.927 -4.271 1.00 0.00 C ATOM 236 O ALA A 16 -12.870 0.908 -4.592 1.00 0.00 O ATOM 237 CB ALA A 16 -14.633 2.306 -2.084 1.00 0.00 C ATOM 0 H ALA A 16 -14.838 -0.126 -2.816 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.470 2.544 -4.088 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.257 3.328 -2.042 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.598 2.253 -1.579 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -13.927 1.639 -1.588 1.00 0.00 H new ATOM 243 N ARG A 17 -12.952 3.104 -4.536 1.00 0.00 N ATOM 244 CA ARG A 17 -11.645 3.222 -5.245 1.00 0.00 C ATOM 245 C ARG A 17 -10.767 4.269 -4.554 1.00 0.00 C ATOM 246 O ARG A 17 -10.569 5.357 -5.059 1.00 0.00 O ATOM 247 CB ARG A 17 -12.009 3.674 -6.660 1.00 0.00 C ATOM 248 CG ARG A 17 -11.084 2.994 -7.671 1.00 0.00 C ATOM 249 CD ARG A 17 -11.279 3.633 -9.049 1.00 0.00 C ATOM 250 NE ARG A 17 -11.191 5.099 -8.808 1.00 0.00 N ATOM 251 CZ ARG A 17 -11.902 5.924 -9.528 1.00 0.00 C ATOM 252 NH1 ARG A 17 -12.379 5.541 -10.681 1.00 0.00 N ATOM 253 NH2 ARG A 17 -12.138 7.131 -9.094 1.00 0.00 N ATOM 0 H ARG A 17 -13.394 3.990 -4.292 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.084 2.288 -5.246 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.047 3.424 -6.877 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.919 4.757 -6.741 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.046 3.094 -7.355 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.301 1.927 -7.719 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.513 3.301 -9.750 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.243 3.360 -9.478 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.575 5.460 -8.080 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.196 4.597 -11.020 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.934 6.186 -11.243 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.767 7.430 -8.192 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.693 7.776 -9.656 1.00 0.00 H new ATOM 267 N ILE A 18 -10.240 3.950 -3.403 1.00 0.00 N ATOM 268 CA ILE A 18 -9.377 4.930 -2.681 1.00 0.00 C ATOM 269 C ILE A 18 -7.918 4.783 -3.123 1.00 0.00 C ATOM 270 O ILE A 18 -7.499 3.742 -3.590 1.00 0.00 O ATOM 271 CB ILE A 18 -9.534 4.580 -1.201 1.00 0.00 C ATOM 272 CG1 ILE A 18 -10.986 4.814 -0.780 1.00 0.00 C ATOM 273 CG2 ILE A 18 -8.612 5.468 -0.362 1.00 0.00 C ATOM 274 CD1 ILE A 18 -11.213 4.246 0.620 1.00 0.00 C ATOM 0 H ILE A 18 -10.369 3.055 -2.932 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.662 5.962 -2.887 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.269 3.535 -1.044 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -11.211 5.880 -0.791 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.662 4.338 -1.490 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.726 5.217 0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.577 5.306 -0.664 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.876 6.514 -0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.248 4.414 0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.006 3.176 0.617 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.547 4.742 1.326 1.00 0.00 H new ATOM 286 N ILE A 19 -7.143 5.825 -2.982 1.00 0.00 N ATOM 287 CA ILE A 19 -5.714 5.760 -3.399 1.00 0.00 C ATOM 288 C ILE A 19 -4.805 5.582 -2.181 1.00 0.00 C ATOM 289 O ILE A 19 -4.379 6.540 -1.566 1.00 0.00 O ATOM 290 CB ILE A 19 -5.440 7.104 -4.073 1.00 0.00 C ATOM 291 CG1 ILE A 19 -6.078 7.117 -5.464 1.00 0.00 C ATOM 292 CG2 ILE A 19 -3.929 7.313 -4.203 1.00 0.00 C ATOM 293 CD1 ILE A 19 -5.427 6.043 -6.337 1.00 0.00 C ATOM 0 H ILE A 19 -7.440 6.721 -2.595 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.520 4.917 -4.062 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.866 7.905 -3.470 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.150 6.935 -5.385 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.954 8.098 -5.923 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.734 8.272 -4.684 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.474 7.305 -3.213 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.501 6.512 -4.805 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.883 6.054 -7.327 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.360 6.245 -6.426 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.574 5.064 -5.880 1.00 0.00 H new ATOM 305 N ARG A 20 -4.496 4.364 -1.834 1.00 0.00 N ATOM 306 CA ARG A 20 -3.602 4.127 -0.665 1.00 0.00 C ATOM 307 C ARG A 20 -2.150 4.027 -1.138 1.00 0.00 C ATOM 308 O ARG A 20 -1.863 4.136 -2.313 1.00 0.00 O ATOM 309 CB ARG A 20 -4.059 2.797 -0.067 1.00 0.00 C ATOM 310 CG ARG A 20 -5.308 3.021 0.786 1.00 0.00 C ATOM 311 CD ARG A 20 -4.950 3.886 1.998 1.00 0.00 C ATOM 312 NE ARG A 20 -5.486 5.239 1.678 1.00 0.00 N ATOM 313 CZ ARG A 20 -5.664 6.113 2.631 1.00 0.00 C ATOM 314 NH1 ARG A 20 -6.624 5.948 3.499 1.00 0.00 N ATOM 315 NH2 ARG A 20 -4.883 7.155 2.713 1.00 0.00 N ATOM 0 H ARG A 20 -4.823 3.522 -2.308 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.654 4.935 0.065 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.273 2.083 -0.863 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.263 2.367 0.541 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.083 3.508 0.194 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.713 2.064 1.116 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.396 3.491 2.911 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.872 3.916 2.157 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.714 5.482 0.714 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.237 5.135 3.433 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.762 6.632 4.243 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.134 7.286 2.033 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.021 7.839 3.457 1.00 0.00 H new ATOM 329 N TYR A 21 -1.233 3.818 -0.236 1.00 0.00 N ATOM 330 CA TYR A 21 0.197 3.719 -0.642 1.00 0.00 C ATOM 331 C TYR A 21 0.728 2.300 -0.439 1.00 0.00 C ATOM 332 O TYR A 21 0.299 1.581 0.440 1.00 0.00 O ATOM 333 CB TYR A 21 0.937 4.694 0.276 1.00 0.00 C ATOM 334 CG TYR A 21 0.716 6.101 -0.211 1.00 0.00 C ATOM 335 CD1 TYR A 21 1.390 6.559 -1.346 1.00 0.00 C ATOM 336 CD2 TYR A 21 -0.170 6.942 0.466 1.00 0.00 C ATOM 337 CE1 TYR A 21 1.179 7.864 -1.805 1.00 0.00 C ATOM 338 CE2 TYR A 21 -0.385 8.246 0.007 1.00 0.00 C ATOM 339 CZ TYR A 21 0.290 8.708 -1.129 1.00 0.00 C ATOM 340 OH TYR A 21 0.081 9.995 -1.582 1.00 0.00 O ATOM 0 H TYR A 21 -1.411 3.712 0.763 1.00 0.00 H new ATOM 0 HA TYR A 21 0.332 3.955 -1.698 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.578 4.591 1.300 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.002 4.464 0.287 1.00 0.00 H new ATOM 0 HD1 TYR A 21 2.073 5.906 -1.869 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.689 6.586 1.344 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.702 8.220 -2.680 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.072 8.896 0.529 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.566 10.446 -1.000 1.00 0.00 H new ATOM 350 N PHE A 22 1.674 1.905 -1.244 1.00 0.00 N ATOM 351 CA PHE A 22 2.268 0.547 -1.106 1.00 0.00 C ATOM 352 C PHE A 22 3.708 0.580 -1.612 1.00 0.00 C ATOM 353 O PHE A 22 4.087 1.444 -2.375 1.00 0.00 O ATOM 354 CB PHE A 22 1.394 -0.378 -1.959 1.00 0.00 C ATOM 355 CG PHE A 22 1.792 -0.284 -3.415 1.00 0.00 C ATOM 356 CD1 PHE A 22 1.185 0.663 -4.248 1.00 0.00 C ATOM 357 CD2 PHE A 22 2.770 -1.144 -3.928 1.00 0.00 C ATOM 358 CE1 PHE A 22 1.556 0.750 -5.595 1.00 0.00 C ATOM 359 CE2 PHE A 22 3.141 -1.059 -5.276 1.00 0.00 C ATOM 360 CZ PHE A 22 2.534 -0.111 -6.111 1.00 0.00 C ATOM 0 H PHE A 22 2.064 2.470 -1.998 1.00 0.00 H new ATOM 0 HA PHE A 22 2.296 0.199 -0.073 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.496 -1.407 -1.613 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.345 -0.106 -1.844 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.431 1.326 -3.852 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.239 -1.873 -3.284 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.088 1.481 -6.237 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.895 -1.724 -5.672 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.819 -0.044 -7.150 1.00 0.00 H new ATOM 370 N TYR A 23 4.514 -0.341 -1.184 1.00 0.00 N ATOM 371 CA TYR A 23 5.940 -0.344 -1.630 1.00 0.00 C ATOM 372 C TYR A 23 6.088 -1.039 -2.987 1.00 0.00 C ATOM 373 O TYR A 23 5.934 -2.239 -3.100 1.00 0.00 O ATOM 374 CB TYR A 23 6.692 -1.119 -0.549 1.00 0.00 C ATOM 375 CG TYR A 23 8.172 -1.073 -0.852 1.00 0.00 C ATOM 376 CD1 TYR A 23 8.836 0.161 -0.899 1.00 0.00 C ATOM 377 CD2 TYR A 23 8.878 -2.255 -1.100 1.00 0.00 C ATOM 378 CE1 TYR A 23 10.204 0.209 -1.192 1.00 0.00 C ATOM 379 CE2 TYR A 23 10.247 -2.206 -1.395 1.00 0.00 C ATOM 380 CZ TYR A 23 10.909 -0.974 -1.442 1.00 0.00 C ATOM 381 OH TYR A 23 12.256 -0.926 -1.733 1.00 0.00 O ATOM 0 H TYR A 23 4.255 -1.093 -0.546 1.00 0.00 H new ATOM 0 HA TYR A 23 6.326 0.668 -1.757 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.495 -0.686 0.431 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.346 -2.152 -0.516 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.292 1.074 -0.709 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.368 -3.206 -1.064 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.716 1.159 -1.225 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.791 -3.119 -1.586 1.00 0.00 H new ATOM 0 HH TYR A 23 12.480 -0.046 -2.101 1.00 0.00 H new ATOM 391 N ASN A 24 6.400 -0.297 -4.015 1.00 0.00 N ATOM 392 CA ASN A 24 6.572 -0.918 -5.359 1.00 0.00 C ATOM 393 C ASN A 24 8.018 -1.374 -5.538 1.00 0.00 C ATOM 394 O ASN A 24 8.845 -0.645 -6.047 1.00 0.00 O ATOM 395 CB ASN A 24 6.247 0.192 -6.358 1.00 0.00 C ATOM 396 CG ASN A 24 6.331 -0.362 -7.782 1.00 0.00 C ATOM 397 OD1 ASN A 24 7.132 -1.234 -8.061 1.00 0.00 O ATOM 398 ND2 ASN A 24 5.534 0.109 -8.700 1.00 0.00 N ATOM 0 H ASN A 24 6.543 0.712 -3.982 1.00 0.00 H new ATOM 0 HA ASN A 24 5.932 -1.790 -5.494 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.249 0.586 -6.168 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.945 1.021 -6.237 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.582 -0.254 -9.652 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.862 0.840 -8.466 1.00 0.00 H new ATOM 405 N ALA A 25 8.340 -2.568 -5.124 1.00 0.00 N ATOM 406 CA ALA A 25 9.741 -3.044 -5.283 1.00 0.00 C ATOM 407 C ALA A 25 10.237 -2.703 -6.688 1.00 0.00 C ATOM 408 O ALA A 25 11.396 -2.402 -6.894 1.00 0.00 O ATOM 409 CB ALA A 25 9.678 -4.556 -5.079 1.00 0.00 C ATOM 0 H ALA A 25 7.699 -3.230 -4.686 1.00 0.00 H new ATOM 0 HA ALA A 25 10.427 -2.578 -4.576 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.677 -4.979 -5.182 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.293 -4.773 -4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.019 -4.997 -5.827 1.00 0.00 H new ATOM 415 N LYS A 26 9.361 -2.736 -7.654 1.00 0.00 N ATOM 416 CA LYS A 26 9.773 -2.400 -9.044 1.00 0.00 C ATOM 417 C LYS A 26 10.178 -0.925 -9.116 1.00 0.00 C ATOM 418 O LYS A 26 11.006 -0.536 -9.915 1.00 0.00 O ATOM 419 CB LYS A 26 8.533 -2.662 -9.899 1.00 0.00 C ATOM 420 CG LYS A 26 8.941 -3.396 -11.179 1.00 0.00 C ATOM 421 CD LYS A 26 9.053 -4.896 -10.895 1.00 0.00 C ATOM 422 CE LYS A 26 8.160 -5.669 -11.868 1.00 0.00 C ATOM 423 NZ LYS A 26 8.958 -5.778 -13.121 1.00 0.00 N ATOM 0 H LYS A 26 8.378 -2.981 -7.540 1.00 0.00 H new ATOM 0 HA LYS A 26 10.626 -2.987 -9.384 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.812 -3.258 -9.340 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.044 -1.720 -10.147 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.205 -3.218 -11.963 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.894 -3.012 -11.543 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.088 -5.220 -11.000 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.756 -5.105 -9.867 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.907 -6.653 -11.474 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.221 -5.145 -12.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.411 -6.297 -13.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.178 -4.826 -13.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.843 -6.288 -12.926 1.00 0.00 H new ATOM 437 N ALA A 27 9.603 -0.103 -8.277 1.00 0.00 N ATOM 438 CA ALA A 27 9.963 1.344 -8.290 1.00 0.00 C ATOM 439 C ALA A 27 11.050 1.623 -7.246 1.00 0.00 C ATOM 440 O ALA A 27 11.718 2.637 -7.289 1.00 0.00 O ATOM 441 CB ALA A 27 8.671 2.078 -7.933 1.00 0.00 C ATOM 0 H ALA A 27 8.902 -0.371 -7.586 1.00 0.00 H new ATOM 0 HA ALA A 27 10.357 1.666 -9.254 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.854 3.152 -7.922 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.905 1.848 -8.674 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.331 1.758 -6.948 1.00 0.00 H new ATOM 447 N GLY A 28 11.233 0.729 -6.311 1.00 0.00 N ATOM 448 CA GLY A 28 12.279 0.942 -5.269 1.00 0.00 C ATOM 449 C GLY A 28 11.702 1.765 -4.117 1.00 0.00 C ATOM 450 O GLY A 28 12.316 1.915 -3.078 1.00 0.00 O ATOM 0 H GLY A 28 10.704 -0.139 -6.224 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.637 -0.018 -4.898 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.137 1.457 -5.702 1.00 0.00 H new ATOM 454 N LEU A 29 10.525 2.297 -4.289 1.00 0.00 N ATOM 455 CA LEU A 29 9.904 3.105 -3.207 1.00 0.00 C ATOM 456 C LEU A 29 8.438 2.703 -3.050 1.00 0.00 C ATOM 457 O LEU A 29 8.086 1.548 -3.187 1.00 0.00 O ATOM 458 CB LEU A 29 10.024 4.555 -3.678 1.00 0.00 C ATOM 459 CG LEU A 29 9.250 4.732 -4.984 1.00 0.00 C ATOM 460 CD1 LEU A 29 8.450 6.034 -4.934 1.00 0.00 C ATOM 461 CD2 LEU A 29 10.233 4.785 -6.154 1.00 0.00 C ATOM 0 H LEU A 29 9.965 2.206 -5.137 1.00 0.00 H new ATOM 0 HA LEU A 29 10.384 2.958 -2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.633 5.230 -2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.072 4.815 -3.826 1.00 0.00 H new ATOM 0 HG LEU A 29 8.568 3.892 -5.117 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.899 6.158 -5.866 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.749 5.999 -4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.131 6.875 -4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.683 4.911 -7.086 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.915 5.625 -6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.803 3.857 -6.192 1.00 0.00 H new ATOM 473 N CYS A 30 7.582 3.643 -2.773 1.00 0.00 N ATOM 474 CA CYS A 30 6.140 3.304 -2.612 1.00 0.00 C ATOM 475 C CYS A 30 5.300 4.003 -3.681 1.00 0.00 C ATOM 476 O CYS A 30 5.582 5.114 -4.084 1.00 0.00 O ATOM 477 CB CYS A 30 5.756 3.812 -1.224 1.00 0.00 C ATOM 478 SG CYS A 30 6.751 2.962 0.025 1.00 0.00 S ATOM 0 H CYS A 30 7.815 4.628 -2.651 1.00 0.00 H new ATOM 0 HA CYS A 30 5.964 2.234 -2.719 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.916 4.888 -1.162 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.696 3.637 -1.041 1.00 0.00 H new ATOM 483 N GLN A 31 4.261 3.359 -4.134 1.00 0.00 N ATOM 484 CA GLN A 31 3.386 3.977 -5.170 1.00 0.00 C ATOM 485 C GLN A 31 1.925 3.908 -4.716 1.00 0.00 C ATOM 486 O GLN A 31 1.580 3.161 -3.822 1.00 0.00 O ATOM 487 CB GLN A 31 3.606 3.138 -6.429 1.00 0.00 C ATOM 488 CG GLN A 31 5.011 3.398 -6.975 1.00 0.00 C ATOM 489 CD GLN A 31 4.915 3.903 -8.415 1.00 0.00 C ATOM 490 OE1 GLN A 31 3.858 4.309 -8.859 1.00 0.00 O ATOM 491 NE2 GLN A 31 5.980 3.894 -9.170 1.00 0.00 N ATOM 0 H GLN A 31 3.979 2.427 -3.830 1.00 0.00 H new ATOM 0 HA GLN A 31 3.618 5.027 -5.345 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.483 2.079 -6.200 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.859 3.390 -7.182 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.523 4.133 -6.354 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.602 2.483 -6.938 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.866 3.553 -8.797 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.926 4.228 -10.132 1.00 0.00 H new ATOM 500 N THR A 32 1.067 4.686 -5.312 1.00 0.00 N ATOM 501 CA THR A 32 -0.365 4.665 -4.897 1.00 0.00 C ATOM 502 C THR A 32 -1.133 3.570 -5.642 1.00 0.00 C ATOM 503 O THR A 32 -0.830 3.242 -6.772 1.00 0.00 O ATOM 504 CB THR A 32 -0.902 6.044 -5.278 1.00 0.00 C ATOM 505 OG1 THR A 32 -0.162 6.549 -6.381 1.00 0.00 O ATOM 506 CG2 THR A 32 -0.761 6.995 -4.088 1.00 0.00 C ATOM 0 H THR A 32 1.293 5.334 -6.066 1.00 0.00 H new ATOM 0 HA THR A 32 -0.478 4.454 -3.834 1.00 0.00 H new ATOM 0 HB THR A 32 -1.954 5.963 -5.552 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.506 7.433 -6.628 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.144 7.978 -4.361 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.328 6.606 -3.242 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.290 7.079 -3.812 1.00 0.00 H new ATOM 514 N PHE A 33 -2.132 3.011 -5.013 1.00 0.00 N ATOM 515 CA PHE A 33 -2.938 1.945 -5.681 1.00 0.00 C ATOM 516 C PHE A 33 -4.410 2.073 -5.280 1.00 0.00 C ATOM 517 O PHE A 33 -4.748 2.723 -4.310 1.00 0.00 O ATOM 518 CB PHE A 33 -2.342 0.614 -5.208 1.00 0.00 C ATOM 519 CG PHE A 33 -2.791 0.295 -3.798 1.00 0.00 C ATOM 520 CD1 PHE A 33 -2.073 0.790 -2.699 1.00 0.00 C ATOM 521 CD2 PHE A 33 -3.916 -0.512 -3.589 1.00 0.00 C ATOM 522 CE1 PHE A 33 -2.484 0.483 -1.400 1.00 0.00 C ATOM 523 CE2 PHE A 33 -4.325 -0.820 -2.287 1.00 0.00 C ATOM 524 CZ PHE A 33 -3.610 -0.322 -1.193 1.00 0.00 C ATOM 0 H PHE A 33 -2.426 3.246 -4.065 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.902 2.021 -6.768 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.648 -0.186 -5.882 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.254 0.664 -5.245 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.202 1.409 -2.858 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.468 -0.897 -4.433 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.932 0.867 -0.555 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.193 -1.442 -2.127 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.927 -0.559 -0.188 1.00 0.00 H new ATOM 534 N VAL A 34 -5.288 1.475 -6.034 1.00 0.00 N ATOM 535 CA VAL A 34 -6.745 1.576 -5.718 1.00 0.00 C ATOM 536 C VAL A 34 -7.105 0.695 -4.519 1.00 0.00 C ATOM 537 O VAL A 34 -7.323 -0.489 -4.654 1.00 0.00 O ATOM 538 CB VAL A 34 -7.453 1.078 -6.978 1.00 0.00 C ATOM 539 CG1 VAL A 34 -8.957 0.979 -6.717 1.00 0.00 C ATOM 540 CG2 VAL A 34 -7.199 2.060 -8.124 1.00 0.00 C ATOM 0 H VAL A 34 -5.062 0.918 -6.858 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.035 2.593 -5.453 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.067 0.094 -7.246 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.460 0.624 -7.617 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.139 0.281 -5.900 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.345 1.962 -6.448 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.703 1.707 -9.024 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.585 3.043 -7.853 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.128 2.131 -8.312 1.00 0.00 H new ATOM 550 N TYR A 35 -7.176 1.270 -3.349 1.00 0.00 N ATOM 551 CA TYR A 35 -7.526 0.467 -2.140 1.00 0.00 C ATOM 552 C TYR A 35 -9.042 0.231 -2.076 1.00 0.00 C ATOM 553 O TYR A 35 -9.826 1.064 -2.488 1.00 0.00 O ATOM 554 CB TYR A 35 -7.060 1.319 -0.960 1.00 0.00 C ATOM 555 CG TYR A 35 -7.502 0.679 0.334 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.499 -0.716 0.465 1.00 0.00 C ATOM 557 CD2 TYR A 35 -7.921 1.481 1.403 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.918 -1.308 1.663 1.00 0.00 C ATOM 559 CE2 TYR A 35 -8.338 0.889 2.601 1.00 0.00 C ATOM 560 CZ TYR A 35 -8.336 -0.505 2.732 1.00 0.00 C ATOM 561 OH TYR A 35 -8.749 -1.088 3.912 1.00 0.00 O ATOM 0 H TYR A 35 -7.007 2.261 -3.177 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.058 -0.517 -2.144 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.975 1.418 -0.976 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.473 2.325 -1.039 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.173 -1.335 -0.358 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.922 2.556 1.303 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.919 -2.383 1.763 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.661 1.508 3.425 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.839 -0.399 4.603 1.00 0.00 H new ATOM 571 N GLY A 36 -9.460 -0.900 -1.570 1.00 0.00 N ATOM 572 CA GLY A 36 -10.922 -1.194 -1.487 1.00 0.00 C ATOM 573 C GLY A 36 -11.534 -0.484 -0.276 1.00 0.00 C ATOM 574 O GLY A 36 -12.716 -0.596 -0.016 1.00 0.00 O ATOM 0 H GLY A 36 -8.851 -1.634 -1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.419 -0.866 -2.400 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.081 -2.269 -1.406 1.00 0.00 H new ATOM 578 N ALA A 37 -10.739 0.246 0.463 1.00 0.00 N ATOM 579 CA ALA A 37 -11.266 0.974 1.662 1.00 0.00 C ATOM 580 C ALA A 37 -11.546 0.003 2.815 1.00 0.00 C ATOM 581 O ALA A 37 -11.957 0.407 3.884 1.00 0.00 O ATOM 582 CB ALA A 37 -12.565 1.641 1.204 1.00 0.00 C ATOM 0 H ALA A 37 -9.742 0.371 0.289 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.543 1.701 2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.004 2.192 2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.352 2.328 0.385 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.266 0.878 0.864 1.00 0.00 H new ATOM 588 N CYS A 38 -11.332 -1.270 2.616 1.00 0.00 N ATOM 589 CA CYS A 38 -11.596 -2.241 3.716 1.00 0.00 C ATOM 590 C CYS A 38 -10.560 -3.367 3.704 1.00 0.00 C ATOM 591 O CYS A 38 -9.798 -3.518 2.770 1.00 0.00 O ATOM 592 CB CYS A 38 -12.989 -2.799 3.425 1.00 0.00 C ATOM 593 SG CYS A 38 -13.029 -3.470 1.745 1.00 0.00 S ATOM 0 H CYS A 38 -10.988 -1.677 1.746 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.536 -1.770 4.697 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -13.239 -3.578 4.146 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -13.737 -2.014 3.533 1.00 0.00 H new ATOM 598 N ARG A 39 -10.535 -4.162 4.738 1.00 0.00 N ATOM 599 CA ARG A 39 -9.562 -5.289 4.798 1.00 0.00 C ATOM 600 C ARG A 39 -8.150 -4.802 4.458 1.00 0.00 C ATOM 601 O ARG A 39 -7.385 -5.492 3.813 1.00 0.00 O ATOM 602 CB ARG A 39 -10.055 -6.290 3.752 1.00 0.00 C ATOM 603 CG ARG A 39 -11.492 -6.700 4.082 1.00 0.00 C ATOM 604 CD ARG A 39 -12.049 -7.571 2.955 1.00 0.00 C ATOM 605 NE ARG A 39 -11.546 -8.942 3.246 1.00 0.00 N ATOM 606 CZ ARG A 39 -12.380 -9.883 3.595 1.00 0.00 C ATOM 607 NH1 ARG A 39 -13.550 -9.963 3.022 1.00 0.00 N ATOM 608 NH2 ARG A 39 -12.044 -10.743 4.517 1.00 0.00 N ATOM 0 H ARG A 39 -11.150 -4.079 5.548 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.506 -5.730 5.793 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.011 -5.846 2.758 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.408 -7.167 3.738 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.517 -7.247 5.024 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.113 -5.814 4.211 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.139 -7.545 2.938 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.706 -7.223 1.981 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.549 -9.146 3.173 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -13.812 -9.290 2.302 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.202 -10.698 3.295 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.130 -10.680 4.965 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.696 -11.479 4.790 1.00 0.00 H new ATOM 622 N ALA A 40 -7.793 -3.624 4.894 1.00 0.00 N ATOM 623 CA ALA A 40 -6.425 -3.107 4.601 1.00 0.00 C ATOM 624 C ALA A 40 -5.382 -3.979 5.307 1.00 0.00 C ATOM 625 O ALA A 40 -5.607 -4.468 6.396 1.00 0.00 O ATOM 626 CB ALA A 40 -6.405 -1.685 5.161 1.00 0.00 C ATOM 0 H ALA A 40 -8.387 -2.999 5.439 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.193 -3.122 3.536 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.427 -1.237 4.983 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.172 -1.089 4.667 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.601 -1.713 6.233 1.00 0.00 H new ATOM 632 N LYS A 41 -4.246 -4.183 4.696 1.00 0.00 N ATOM 633 CA LYS A 41 -3.202 -5.032 5.341 1.00 0.00 C ATOM 634 C LYS A 41 -1.859 -4.295 5.391 1.00 0.00 C ATOM 635 O LYS A 41 -1.801 -3.081 5.371 1.00 0.00 O ATOM 636 CB LYS A 41 -3.102 -6.275 4.456 1.00 0.00 C ATOM 637 CG LYS A 41 -4.446 -7.005 4.448 1.00 0.00 C ATOM 638 CD LYS A 41 -4.673 -7.646 3.078 1.00 0.00 C ATOM 639 CE LYS A 41 -5.128 -9.096 3.262 1.00 0.00 C ATOM 640 NZ LYS A 41 -3.872 -9.873 3.444 1.00 0.00 N ATOM 0 H LYS A 41 -3.996 -3.801 3.784 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.457 -5.281 6.371 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.825 -5.990 3.441 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.319 -6.936 4.827 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.461 -7.769 5.225 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.252 -6.306 4.672 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.425 -7.085 2.522 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.754 -7.613 2.493 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.784 -9.197 4.127 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.687 -9.447 2.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.102 -10.879 3.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.271 -9.763 2.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.364 -9.521 4.281 1.00 0.00 H new ATOM 654 N ARG A 42 -0.779 -5.025 5.458 1.00 0.00 N ATOM 655 CA ARG A 42 0.567 -4.385 5.516 1.00 0.00 C ATOM 656 C ARG A 42 0.948 -3.738 4.181 1.00 0.00 C ATOM 657 O ARG A 42 1.663 -2.755 4.150 1.00 0.00 O ATOM 658 CB ARG A 42 1.523 -5.524 5.866 1.00 0.00 C ATOM 659 CG ARG A 42 1.645 -6.475 4.679 1.00 0.00 C ATOM 660 CD ARG A 42 2.134 -7.841 5.179 1.00 0.00 C ATOM 661 NE ARG A 42 0.990 -8.399 5.942 1.00 0.00 N ATOM 662 CZ ARG A 42 1.205 -9.172 6.972 1.00 0.00 C ATOM 663 NH1 ARG A 42 1.779 -8.692 8.040 1.00 0.00 N ATOM 664 NH2 ARG A 42 0.848 -10.426 6.931 1.00 0.00 N ATOM 0 H ARG A 42 -0.771 -6.045 5.475 1.00 0.00 H new ATOM 0 HA ARG A 42 0.597 -3.577 6.247 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.503 -5.123 6.125 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.158 -6.063 6.740 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.681 -6.580 4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.342 -6.072 3.944 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.409 -8.491 4.348 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.017 -7.738 5.810 1.00 0.00 H new ATOM 0 HE ARG A 42 0.035 -8.178 5.661 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.060 -7.712 8.071 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.947 -9.296 8.844 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.401 -10.802 6.095 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.016 -11.031 7.735 1.00 0.00 H new ATOM 678 N ASN A 43 0.490 -4.261 3.079 1.00 0.00 N ATOM 679 CA ASN A 43 0.854 -3.633 1.775 1.00 0.00 C ATOM 680 C ASN A 43 -0.235 -2.638 1.356 1.00 0.00 C ATOM 681 O ASN A 43 -0.778 -2.705 0.272 1.00 0.00 O ATOM 682 CB ASN A 43 0.961 -4.786 0.777 1.00 0.00 C ATOM 683 CG ASN A 43 1.992 -4.430 -0.301 1.00 0.00 C ATOM 684 OD1 ASN A 43 1.667 -4.371 -1.470 1.00 0.00 O ATOM 685 ND2 ASN A 43 3.230 -4.196 0.045 1.00 0.00 N ATOM 0 H ASN A 43 -0.111 -5.083 3.021 1.00 0.00 H new ATOM 0 HA ASN A 43 1.789 -3.076 1.830 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.256 -5.701 1.291 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -0.010 -4.977 0.319 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.923 -3.964 -0.666 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.503 -4.245 1.026 1.00 0.00 H new ATOM 692 N ASN A 44 -0.547 -1.712 2.221 1.00 0.00 N ATOM 693 CA ASN A 44 -1.589 -0.686 1.918 1.00 0.00 C ATOM 694 C ASN A 44 -1.441 0.455 2.923 1.00 0.00 C ATOM 695 O ASN A 44 -2.166 0.537 3.895 1.00 0.00 O ATOM 696 CB ASN A 44 -2.932 -1.399 2.108 1.00 0.00 C ATOM 697 CG ASN A 44 -4.071 -0.369 2.121 1.00 0.00 C ATOM 698 OD1 ASN A 44 -3.832 0.821 2.077 1.00 0.00 O ATOM 699 ND2 ASN A 44 -5.309 -0.783 2.176 1.00 0.00 N ATOM 0 H ASN A 44 -0.117 -1.621 3.141 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.506 -0.272 0.913 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.089 -2.118 1.304 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.927 -1.961 3.042 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.073 -0.107 2.182 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.512 -1.782 2.213 1.00 0.00 H new ATOM 706 N PHE A 45 -0.494 1.323 2.711 1.00 0.00 N ATOM 707 CA PHE A 45 -0.282 2.439 3.668 1.00 0.00 C ATOM 708 C PHE A 45 -1.206 3.608 3.323 1.00 0.00 C ATOM 709 O PHE A 45 -1.567 3.813 2.184 1.00 0.00 O ATOM 710 CB PHE A 45 1.197 2.796 3.503 1.00 0.00 C ATOM 711 CG PHE A 45 2.012 1.519 3.581 1.00 0.00 C ATOM 712 CD1 PHE A 45 2.222 0.895 4.818 1.00 0.00 C ATOM 713 CD2 PHE A 45 2.538 0.948 2.415 1.00 0.00 C ATOM 714 CE1 PHE A 45 2.960 -0.295 4.890 1.00 0.00 C ATOM 715 CE2 PHE A 45 3.274 -0.244 2.484 1.00 0.00 C ATOM 716 CZ PHE A 45 3.486 -0.867 3.722 1.00 0.00 C ATOM 0 H PHE A 45 0.143 1.307 1.915 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.514 2.179 4.701 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.362 3.293 2.547 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.508 3.492 4.282 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.815 1.332 5.718 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.376 1.427 1.461 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.124 -0.772 5.845 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.678 -0.682 1.583 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.053 -1.785 3.776 1.00 0.00 H new ATOM 726 N LYS A 46 -1.623 4.354 4.303 1.00 0.00 N ATOM 727 CA LYS A 46 -2.553 5.485 4.031 1.00 0.00 C ATOM 728 C LYS A 46 -1.784 6.799 3.915 1.00 0.00 C ATOM 729 O LYS A 46 -2.367 7.861 3.817 1.00 0.00 O ATOM 730 CB LYS A 46 -3.496 5.509 5.233 1.00 0.00 C ATOM 731 CG LYS A 46 -3.976 4.086 5.524 1.00 0.00 C ATOM 732 CD LYS A 46 -4.755 4.064 6.841 1.00 0.00 C ATOM 733 CE LYS A 46 -5.506 2.737 6.968 1.00 0.00 C ATOM 734 NZ LYS A 46 -6.938 3.117 7.117 1.00 0.00 N ATOM 0 H LYS A 46 -1.361 4.231 5.281 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.091 5.362 3.091 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.984 5.918 6.104 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.347 6.158 5.030 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.609 3.732 4.710 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.124 3.409 5.583 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.073 4.190 7.682 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.458 4.896 6.874 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.353 2.111 6.089 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.157 2.167 7.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.517 2.258 7.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.054 3.706 7.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.244 3.652 6.279 1.00 0.00 H new ATOM 748 N SER A 47 -0.483 6.741 3.921 1.00 0.00 N ATOM 749 CA SER A 47 0.303 8.003 3.810 1.00 0.00 C ATOM 750 C SER A 47 1.453 7.853 2.810 1.00 0.00 C ATOM 751 O SER A 47 1.866 6.763 2.465 1.00 0.00 O ATOM 752 CB SER A 47 0.846 8.259 5.214 1.00 0.00 C ATOM 753 OG SER A 47 1.921 7.370 5.471 1.00 0.00 O ATOM 0 H SER A 47 0.067 5.885 3.997 1.00 0.00 H new ATOM 0 HA SER A 47 -0.312 8.827 3.448 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.184 9.291 5.303 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.057 8.117 5.953 1.00 0.00 H new ATOM 0 HG SER A 47 2.571 7.805 6.061 1.00 0.00 H new ATOM 759 N ALA A 48 1.968 8.958 2.350 1.00 0.00 N ATOM 760 CA ALA A 48 3.097 8.942 1.370 1.00 0.00 C ATOM 761 C ALA A 48 4.440 8.794 2.082 1.00 0.00 C ATOM 762 O ALA A 48 5.465 9.242 1.607 1.00 0.00 O ATOM 763 CB ALA A 48 3.027 10.304 0.720 1.00 0.00 C ATOM 0 H ALA A 48 1.650 9.890 2.615 1.00 0.00 H new ATOM 0 HA ALA A 48 3.018 8.113 0.667 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.821 10.394 -0.022 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.059 10.425 0.233 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.150 11.076 1.479 1.00 0.00 H new ATOM 769 N GLU A 49 4.432 8.184 3.217 1.00 0.00 N ATOM 770 CA GLU A 49 5.703 8.011 3.989 1.00 0.00 C ATOM 771 C GLU A 49 5.585 6.884 5.030 1.00 0.00 C ATOM 772 O GLU A 49 6.580 6.382 5.514 1.00 0.00 O ATOM 773 CB GLU A 49 5.914 9.350 4.690 1.00 0.00 C ATOM 774 CG GLU A 49 7.403 9.702 4.682 1.00 0.00 C ATOM 775 CD GLU A 49 7.570 11.222 4.693 1.00 0.00 C ATOM 776 OE1 GLU A 49 7.374 11.828 3.652 1.00 0.00 O ATOM 777 OE2 GLU A 49 7.891 11.756 5.742 1.00 0.00 O ATOM 0 H GLU A 49 3.601 7.790 3.658 1.00 0.00 H new ATOM 0 HA GLU A 49 6.532 7.737 3.336 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.343 10.130 4.187 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.547 9.297 5.715 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.895 9.266 5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.882 9.280 3.799 1.00 0.00 H new ATOM 784 N ASP A 50 4.395 6.460 5.362 1.00 0.00 N ATOM 785 CA ASP A 50 4.254 5.347 6.343 1.00 0.00 C ATOM 786 C ASP A 50 4.722 4.062 5.670 1.00 0.00 C ATOM 787 O ASP A 50 5.157 3.124 6.308 1.00 0.00 O ATOM 788 CB ASP A 50 2.764 5.274 6.671 1.00 0.00 C ATOM 789 CG ASP A 50 2.469 3.967 7.411 1.00 0.00 C ATOM 790 OD1 ASP A 50 3.405 3.376 7.923 1.00 0.00 O ATOM 791 OD2 ASP A 50 1.313 3.579 7.449 1.00 0.00 O ATOM 0 H ASP A 50 3.519 6.834 4.998 1.00 0.00 H new ATOM 0 HA ASP A 50 4.842 5.494 7.249 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.474 6.126 7.286 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.176 5.327 5.755 1.00 0.00 H new ATOM 796 N CYS A 51 4.647 4.037 4.369 1.00 0.00 N ATOM 797 CA CYS A 51 5.099 2.844 3.608 1.00 0.00 C ATOM 798 C CYS A 51 6.622 2.770 3.665 1.00 0.00 C ATOM 799 O CYS A 51 7.200 1.723 3.876 1.00 0.00 O ATOM 800 CB CYS A 51 4.633 3.094 2.174 1.00 0.00 C ATOM 801 SG CYS A 51 5.404 1.883 1.073 1.00 0.00 S ATOM 0 H CYS A 51 4.288 4.801 3.796 1.00 0.00 H new ATOM 0 HA CYS A 51 4.703 1.909 4.004 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.547 3.017 2.114 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.899 4.105 1.864 1.00 0.00 H new ATOM 806 N MET A 52 7.273 3.887 3.480 1.00 0.00 N ATOM 807 CA MET A 52 8.762 3.900 3.528 1.00 0.00 C ATOM 808 C MET A 52 9.236 3.615 4.954 1.00 0.00 C ATOM 809 O MET A 52 10.065 2.757 5.183 1.00 0.00 O ATOM 810 CB MET A 52 9.161 5.313 3.102 1.00 0.00 C ATOM 811 CG MET A 52 8.921 5.481 1.601 1.00 0.00 C ATOM 812 SD MET A 52 10.122 6.654 0.925 1.00 0.00 S ATOM 813 CE MET A 52 10.036 6.104 -0.796 1.00 0.00 C ATOM 0 H MET A 52 6.837 4.791 3.298 1.00 0.00 H new ATOM 0 HA MET A 52 9.207 3.143 2.883 1.00 0.00 H new ATOM 0 HB2 MET A 52 8.581 6.049 3.658 1.00 0.00 H new ATOM 0 HB3 MET A 52 10.211 5.492 3.335 1.00 0.00 H new ATOM 0 HG2 MET A 52 9.013 4.519 1.097 1.00 0.00 H new ATOM 0 HG3 MET A 52 7.907 5.839 1.422 1.00 0.00 H new ATOM 0 HE1 MET A 52 10.445 6.878 -1.446 1.00 0.00 H new ATOM 0 HE2 MET A 52 10.614 5.188 -0.914 1.00 0.00 H new ATOM 0 HE3 MET A 52 8.997 5.915 -1.066 1.00 0.00 H new ATOM 823 N ARG A 53 8.714 4.326 5.916 1.00 0.00 N ATOM 824 CA ARG A 53 9.131 4.092 7.328 1.00 0.00 C ATOM 825 C ARG A 53 8.984 2.609 7.681 1.00 0.00 C ATOM 826 O ARG A 53 9.570 2.124 8.628 1.00 0.00 O ATOM 827 CB ARG A 53 8.175 4.939 8.168 1.00 0.00 C ATOM 828 CG ARG A 53 8.928 6.138 8.748 1.00 0.00 C ATOM 829 CD ARG A 53 8.028 7.376 8.709 1.00 0.00 C ATOM 830 NE ARG A 53 7.345 7.396 10.032 1.00 0.00 N ATOM 831 CZ ARG A 53 8.001 7.761 11.100 1.00 0.00 C ATOM 832 NH1 ARG A 53 8.451 8.982 11.203 1.00 0.00 N ATOM 833 NH2 ARG A 53 8.205 6.906 12.063 1.00 0.00 N ATOM 0 H ARG A 53 8.017 5.059 5.785 1.00 0.00 H new ATOM 0 HA ARG A 53 10.173 4.360 7.502 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.342 5.282 7.555 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.752 4.338 8.973 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.231 5.928 9.774 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.839 6.320 8.177 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.611 8.283 8.552 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.307 7.315 7.893 1.00 0.00 H new ATOM 0 HE ARG A 53 6.364 7.124 10.104 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.290 9.650 10.449 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.964 9.268 12.037 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.852 5.952 11.982 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.718 7.191 12.898 1.00 0.00 H new ATOM 847 N THR A 54 8.202 1.888 6.925 1.00 0.00 N ATOM 848 CA THR A 54 8.012 0.438 7.214 1.00 0.00 C ATOM 849 C THR A 54 8.799 -0.409 6.213 1.00 0.00 C ATOM 850 O THR A 54 9.439 -1.378 6.571 1.00 0.00 O ATOM 851 CB THR A 54 6.510 0.198 7.049 1.00 0.00 C ATOM 852 OG1 THR A 54 5.820 0.728 8.172 1.00 0.00 O ATOM 853 CG2 THR A 54 6.240 -1.302 6.942 1.00 0.00 C ATOM 0 H THR A 54 7.686 2.241 6.119 1.00 0.00 H new ATOM 0 HA THR A 54 8.365 0.166 8.209 1.00 0.00 H new ATOM 0 HB THR A 54 6.161 0.692 6.143 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.427 1.594 7.936 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.170 -1.472 6.825 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.768 -1.706 6.078 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.589 -1.800 7.847 1.00 0.00 H new ATOM 861 N CYS A 55 8.748 -0.055 4.960 1.00 0.00 N ATOM 862 CA CYS A 55 9.482 -0.843 3.931 1.00 0.00 C ATOM 863 C CYS A 55 10.939 -0.377 3.836 1.00 0.00 C ATOM 864 O CYS A 55 11.859 -1.136 4.068 1.00 0.00 O ATOM 865 CB CYS A 55 8.742 -0.559 2.626 1.00 0.00 C ATOM 866 SG CYS A 55 6.983 -0.930 2.841 1.00 0.00 S ATOM 0 H CYS A 55 8.229 0.747 4.603 1.00 0.00 H new ATOM 0 HA CYS A 55 9.510 -1.907 4.167 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.873 0.485 2.340 1.00 0.00 H new ATOM 0 HB3 CYS A 55 9.157 -1.164 1.820 1.00 0.00 H new ATOM 871 N GLY A 56 11.159 0.862 3.489 1.00 0.00 N ATOM 872 CA GLY A 56 12.561 1.360 3.374 1.00 0.00 C ATOM 873 C GLY A 56 12.637 2.818 3.831 1.00 0.00 C ATOM 874 O GLY A 56 12.357 3.140 4.968 1.00 0.00 O ATOM 0 H GLY A 56 10.434 1.548 3.281 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.225 0.745 3.981 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.902 1.275 2.342 1.00 0.00 H new ATOM 878 N GLY A 57 13.019 3.701 2.948 1.00 0.00 N ATOM 879 CA GLY A 57 13.121 5.140 3.325 1.00 0.00 C ATOM 880 C GLY A 57 13.844 5.904 2.215 1.00 0.00 C ATOM 881 O GLY A 57 14.953 5.578 1.845 1.00 0.00 O ATOM 0 H GLY A 57 13.265 3.488 1.981 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.127 5.558 3.482 1.00 0.00 H new ATOM 0 HA3 GLY A 57 13.662 5.244 4.265 1.00 0.00 H new ATOM 885 N ALA A 58 13.225 6.920 1.681 1.00 0.00 N ATOM 886 CA ALA A 58 13.876 7.706 0.594 1.00 0.00 C ATOM 887 C ALA A 58 13.205 9.075 0.462 1.00 0.00 C ATOM 888 O ALA A 58 12.575 9.499 1.417 1.00 0.00 O ATOM 889 CB ALA A 58 13.661 6.879 -0.675 1.00 0.00 C ATOM 890 OXT ALA A 58 13.333 9.677 -0.592 1.00 0.00 O ATOM 0 H ALA A 58 12.295 7.241 1.950 1.00 0.00 H new ATOM 0 HA ALA A 58 14.933 7.886 0.788 1.00 0.00 H new ATOM 0 HB1 ALA A 58 14.113 7.392 -1.524 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.124 5.900 -0.554 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.593 6.756 -0.852 1.00 0.00 H new TER 896 ALA A 58