USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 267 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 CYS SG : rot -133:sc= 0.197 USER MOD Set 1.2: A 14 CYS SG : rot 47:sc= 0.615 USER MOD Set 1.3: A 27 HIS : no HD1:sc= -1.88 K(o=-0.64,f=-3.3!) USER MOD Set 1.4: A 32 CYS SG : rot 33:sc= 0.43 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -155:sc= 0 (180deg=-0.295) USER MOD Single : A 19 SER OG : rot 31:sc= 0.338 USER MOD Single : A 20 SER OG : rot 45:sc= 0.473 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -149:sc= -2.38 USER MOD Single : A 28 GLN : amide:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0229 USER MOD Single : A 34 HIS : no HD1:sc=-0.00258 X(o=-0.0026,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 2 -5.718 14.943 -1.131 1.00 1.00 N ATOM 11 CA SER A 2 -4.539 15.758 -0.858 1.00 1.00 C ATOM 12 C SER A 2 -3.985 15.463 0.533 1.00 1.00 C ATOM 13 O SER A 2 -2.791 15.216 0.697 1.00 1.00 O ATOM 14 CB SER A 2 -4.881 17.245 -0.980 1.00 1.00 C ATOM 15 OG SER A 2 -3.883 17.940 -1.710 1.00 1.00 O ATOM 0 HA SER A 2 -3.775 15.507 -1.594 1.00 1.00 H new ATOM 0 HB2 SER A 2 -5.845 17.360 -1.476 1.00 1.00 H new ATOM 0 HB3 SER A 2 -4.979 17.682 0.014 1.00 1.00 H new ATOM 0 HG SER A 2 -4.126 18.887 -1.775 1.00 1.00 H new ATOM 21 N LEU A 3 -4.862 15.490 1.530 1.00 1.00 N ATOM 22 CA LEU A 3 -4.463 15.226 2.909 1.00 1.00 C ATOM 23 C LEU A 3 -4.131 13.749 3.104 1.00 1.00 C ATOM 24 O LEU A 3 -4.118 12.975 2.147 1.00 1.00 O ATOM 25 CB LEU A 3 -5.578 15.644 3.871 1.00 1.00 C ATOM 26 CG LEU A 3 -6.978 15.153 3.494 1.00 1.00 C ATOM 27 CD1 LEU A 3 -7.701 14.606 4.716 1.00 1.00 C ATOM 28 CD2 LEU A 3 -7.782 16.274 2.854 1.00 1.00 C ATOM 0 H LEU A 3 -5.855 15.692 1.410 1.00 1.00 H new ATOM 0 HA LEU A 3 -3.569 15.812 3.124 1.00 1.00 H new ATOM 0 HB2 LEU A 3 -5.336 15.273 4.867 1.00 1.00 H new ATOM 0 HB3 LEU A 3 -5.595 16.732 3.932 1.00 1.00 H new ATOM 0 HG LEU A 3 -6.875 14.346 2.768 1.00 1.00 H new ATOM 0 HD11 LEU A 3 -8.694 14.262 4.427 1.00 1.00 H new ATOM 0 HD12 LEU A 3 -7.135 13.772 5.131 1.00 1.00 H new ATOM 0 HD13 LEU A 3 -7.793 15.391 5.466 1.00 1.00 H new ATOM 0 HD21 LEU A 3 -8.774 15.907 2.593 1.00 1.00 H new ATOM 0 HD22 LEU A 3 -7.875 17.102 3.557 1.00 1.00 H new ATOM 0 HD23 LEU A 3 -7.274 16.618 1.953 1.00 1.00 H new ATOM 40 N LEU A 4 -3.861 13.365 4.348 1.00 1.00 N ATOM 41 CA LEU A 4 -3.527 11.982 4.673 1.00 1.00 C ATOM 42 C LEU A 4 -4.613 11.026 4.180 1.00 1.00 C ATOM 43 O LEU A 4 -5.533 11.430 3.472 1.00 1.00 O ATOM 44 CB LEU A 4 -3.335 11.828 6.184 1.00 1.00 C ATOM 45 CG LEU A 4 -2.092 12.524 6.751 1.00 1.00 C ATOM 46 CD1 LEU A 4 -2.488 13.618 7.731 1.00 1.00 C ATOM 47 CD2 LEU A 4 -1.173 11.513 7.423 1.00 1.00 C ATOM 0 H LEU A 4 -3.867 13.995 5.150 1.00 1.00 H new ATOM 0 HA LEU A 4 -2.595 11.728 4.167 1.00 1.00 H new ATOM 0 HB2 LEU A 4 -4.217 12.222 6.690 1.00 1.00 H new ATOM 0 HB3 LEU A 4 -3.279 10.766 6.422 1.00 1.00 H new ATOM 0 HG LEU A 4 -1.552 12.985 5.924 1.00 1.00 H new ATOM 0 HD11 LEU A 4 -1.591 14.099 8.121 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -3.104 14.358 7.220 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -3.053 13.182 8.554 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -0.296 12.025 7.819 1.00 1.00 H new ATOM 0 HD22 LEU A 4 -1.706 11.022 8.238 1.00 1.00 H new ATOM 0 HD23 LEU A 4 -0.858 10.767 6.694 1.00 1.00 H new ATOM 59 N LYS A 5 -4.495 9.752 4.559 1.00 1.00 N ATOM 60 CA LYS A 5 -5.462 8.732 4.157 1.00 1.00 C ATOM 61 C LYS A 5 -5.218 8.297 2.711 1.00 1.00 C ATOM 62 O LYS A 5 -5.064 9.134 1.822 1.00 1.00 O ATOM 63 CB LYS A 5 -6.898 9.247 4.318 1.00 1.00 C ATOM 64 CG LYS A 5 -7.791 8.318 5.123 1.00 1.00 C ATOM 65 CD LYS A 5 -9.249 8.453 4.713 1.00 1.00 C ATOM 66 CE LYS A 5 -10.182 7.930 5.794 1.00 1.00 C ATOM 67 NZ LYS A 5 -11.509 8.607 5.758 1.00 1.00 N ATOM 0 H LYS A 5 -3.737 9.403 5.145 1.00 1.00 H new ATOM 0 HA LYS A 5 -5.329 7.868 4.809 1.00 1.00 H new ATOM 0 HB2 LYS A 5 -6.873 10.223 4.802 1.00 1.00 H new ATOM 0 HB3 LYS A 5 -7.336 9.393 3.330 1.00 1.00 H new ATOM 0 HG2 LYS A 5 -7.466 7.287 4.982 1.00 1.00 H new ATOM 0 HG3 LYS A 5 -7.688 8.542 6.185 1.00 1.00 H new ATOM 0 HD2 LYS A 5 -9.476 9.500 4.510 1.00 1.00 H new ATOM 0 HD3 LYS A 5 -9.420 7.905 3.787 1.00 1.00 H new ATOM 0 HE2 LYS A 5 -10.319 6.856 5.667 1.00 1.00 H new ATOM 0 HE3 LYS A 5 -9.725 8.080 6.772 1.00 1.00 H new ATOM 0 HZ1 LYS A 5 -12.115 8.222 6.510 1.00 1.00 H new ATOM 0 HZ2 LYS A 5 -11.382 9.629 5.905 1.00 1.00 H new ATOM 0 HZ3 LYS A 5 -11.957 8.443 4.834 1.00 1.00 H new ATOM 81 N PRO A 6 -5.177 6.976 2.453 1.00 1.00 N ATOM 82 CA PRO A 6 -4.947 6.443 1.107 1.00 1.00 C ATOM 83 C PRO A 6 -6.131 6.679 0.176 1.00 1.00 C ATOM 84 O PRO A 6 -7.262 6.304 0.487 1.00 1.00 O ATOM 85 CB PRO A 6 -4.746 4.945 1.345 1.00 1.00 C ATOM 86 CG PRO A 6 -5.481 4.662 2.609 1.00 1.00 C ATOM 87 CD PRO A 6 -5.348 5.901 3.450 1.00 1.00 C ATOM 0 HA PRO A 6 -4.102 6.928 0.619 1.00 1.00 H new ATOM 0 HB2 PRO A 6 -5.140 4.356 0.517 1.00 1.00 H new ATOM 0 HB3 PRO A 6 -3.689 4.697 1.438 1.00 1.00 H new ATOM 0 HG2 PRO A 6 -6.528 4.436 2.409 1.00 1.00 H new ATOM 0 HG3 PRO A 6 -5.060 3.796 3.120 1.00 1.00 H new ATOM 0 HD2 PRO A 6 -6.231 6.063 4.068 1.00 1.00 H new ATOM 0 HD3 PRO A 6 -4.494 5.839 4.124 1.00 1.00 H new ATOM 95 N ALA A 7 -5.864 7.302 -0.967 1.00 1.00 N ATOM 96 CA ALA A 7 -6.906 7.586 -1.945 1.00 1.00 C ATOM 97 C ALA A 7 -6.967 6.499 -3.013 1.00 1.00 C ATOM 98 O ALA A 7 -8.044 6.144 -3.492 1.00 1.00 O ATOM 99 CB ALA A 7 -6.670 8.947 -2.584 1.00 1.00 C ATOM 0 H ALA A 7 -4.934 7.620 -1.238 1.00 1.00 H new ATOM 0 HA ALA A 7 -7.865 7.601 -1.427 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -7.455 9.148 -3.313 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -6.684 9.718 -1.814 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -5.701 8.951 -3.084 1.00 1.00 H new ATOM 105 N ARG A 8 -5.803 5.975 -3.385 1.00 1.00 N ATOM 106 CA ARG A 8 -5.723 4.928 -4.397 1.00 1.00 C ATOM 107 C ARG A 8 -5.086 3.665 -3.827 1.00 1.00 C ATOM 108 O ARG A 8 -4.672 3.634 -2.668 1.00 1.00 O ATOM 109 CB ARG A 8 -4.918 5.418 -5.604 1.00 1.00 C ATOM 110 CG ARG A 8 -3.582 6.038 -5.233 1.00 1.00 C ATOM 111 CD ARG A 8 -2.800 6.455 -6.469 1.00 1.00 C ATOM 112 NE ARG A 8 -2.700 5.372 -7.444 1.00 1.00 N ATOM 113 CZ ARG A 8 -2.346 5.551 -8.715 1.00 1.00 C ATOM 114 NH1 ARG A 8 -2.058 6.765 -9.167 1.00 1.00 N ATOM 115 NH2 ARG A 8 -2.281 4.513 -9.537 1.00 1.00 N ATOM 0 H ARG A 8 -4.902 6.259 -3.000 1.00 1.00 H new ATOM 0 HA ARG A 8 -6.737 4.689 -4.716 1.00 1.00 H new ATOM 0 HB2 ARG A 8 -4.745 4.580 -6.279 1.00 1.00 H new ATOM 0 HB3 ARG A 8 -5.510 6.152 -6.151 1.00 1.00 H new ATOM 0 HG2 ARG A 8 -3.747 6.906 -4.595 1.00 1.00 H new ATOM 0 HG3 ARG A 8 -2.996 5.324 -4.654 1.00 1.00 H new ATOM 0 HD2 ARG A 8 -3.284 7.315 -6.931 1.00 1.00 H new ATOM 0 HD3 ARG A 8 -1.799 6.772 -6.175 1.00 1.00 H new ATOM 0 HE ARG A 8 -2.914 4.424 -7.133 1.00 1.00 H new ATOM 0 HH11 ARG A 8 -2.107 7.568 -8.540 1.00 1.00 H new ATOM 0 HH12 ARG A 8 -1.787 6.895 -10.142 1.00 1.00 H new ATOM 0 HH21 ARG A 8 -2.502 3.578 -9.196 1.00 1.00 H new ATOM 0 HH22 ARG A 8 -2.010 4.650 -10.511 1.00 1.00 H new ATOM 129 N PHE A 9 -5.014 2.624 -4.651 1.00 1.00 N ATOM 130 CA PHE A 9 -4.429 1.354 -4.231 1.00 1.00 C ATOM 131 C PHE A 9 -3.499 0.801 -5.307 1.00 1.00 C ATOM 132 O PHE A 9 -3.905 -0.022 -6.128 1.00 1.00 O ATOM 133 CB PHE A 9 -5.524 0.325 -3.910 1.00 1.00 C ATOM 134 CG PHE A 9 -6.923 0.816 -4.168 1.00 1.00 C ATOM 135 CD1 PHE A 9 -7.578 1.605 -3.235 1.00 1.00 C ATOM 136 CD2 PHE A 9 -7.581 0.487 -5.342 1.00 1.00 C ATOM 137 CE1 PHE A 9 -8.862 2.057 -3.470 1.00 1.00 C ATOM 138 CE2 PHE A 9 -8.866 0.936 -5.582 1.00 1.00 C ATOM 139 CZ PHE A 9 -9.508 1.722 -4.644 1.00 1.00 C ATOM 0 H PHE A 9 -5.353 2.634 -5.613 1.00 1.00 H new ATOM 0 HA PHE A 9 -3.848 1.541 -3.328 1.00 1.00 H new ATOM 0 HB2 PHE A 9 -5.350 -0.572 -4.504 1.00 1.00 H new ATOM 0 HB3 PHE A 9 -5.439 0.035 -2.863 1.00 1.00 H new ATOM 0 HD1 PHE A 9 -7.079 1.869 -2.314 1.00 1.00 H new ATOM 0 HD2 PHE A 9 -7.084 -0.127 -6.078 1.00 1.00 H new ATOM 0 HE1 PHE A 9 -9.361 2.672 -2.736 1.00 1.00 H new ATOM 0 HE2 PHE A 9 -9.368 0.673 -6.501 1.00 1.00 H new ATOM 0 HZ PHE A 9 -10.512 2.073 -4.828 1.00 1.00 H new ATOM 149 N MET A 10 -2.252 1.258 -5.300 1.00 1.00 N ATOM 150 CA MET A 10 -1.267 0.807 -6.277 1.00 1.00 C ATOM 151 C MET A 10 0.145 1.183 -5.842 1.00 1.00 C ATOM 152 O MET A 10 0.449 2.358 -5.633 1.00 1.00 O ATOM 153 CB MET A 10 -1.571 1.408 -7.652 1.00 1.00 C ATOM 154 CG MET A 10 -1.722 0.368 -8.750 1.00 1.00 C ATOM 155 SD MET A 10 -2.546 1.020 -10.215 1.00 1.00 S ATOM 156 CE MET A 10 -1.191 1.036 -11.386 1.00 1.00 C ATOM 0 H MET A 10 -1.899 1.940 -4.629 1.00 1.00 H new ATOM 0 HA MET A 10 -1.327 -0.279 -6.342 1.00 1.00 H new ATOM 0 HB2 MET A 10 -2.488 1.993 -7.589 1.00 1.00 H new ATOM 0 HB3 MET A 10 -0.771 2.097 -7.923 1.00 1.00 H new ATOM 0 HG2 MET A 10 -0.737 -0.007 -9.028 1.00 1.00 H new ATOM 0 HG3 MET A 10 -2.289 -0.480 -8.366 1.00 1.00 H new ATOM 0 HE1 MET A 10 -1.383 1.785 -12.155 1.00 1.00 H new ATOM 0 HE2 MET A 10 -0.264 1.279 -10.867 1.00 1.00 H new ATOM 0 HE3 MET A 10 -1.100 0.054 -11.851 1.00 1.00 H new ATOM 166 N CYS A 11 1.009 0.181 -5.715 1.00 1.00 N ATOM 167 CA CYS A 11 2.391 0.412 -5.312 1.00 1.00 C ATOM 168 C CYS A 11 3.250 0.768 -6.522 1.00 1.00 C ATOM 169 O CYS A 11 3.882 -0.099 -7.124 1.00 1.00 O ATOM 170 CB CYS A 11 2.958 -0.825 -4.609 1.00 1.00 C ATOM 171 SG CYS A 11 4.071 -0.441 -3.217 1.00 1.00 S ATOM 0 H CYS A 11 0.777 -0.798 -5.885 1.00 1.00 H new ATOM 0 HA CYS A 11 2.408 1.249 -4.615 1.00 1.00 H new ATOM 0 HB2 CYS A 11 2.131 -1.433 -4.243 1.00 1.00 H new ATOM 0 HB3 CYS A 11 3.499 -1.429 -5.338 1.00 1.00 H new ATOM 0 HG CYS A 11 5.147 -1.164 -3.310 1.00 1.00 H new ATOM 176 N LEU A 12 3.264 2.053 -6.875 1.00 1.00 N ATOM 177 CA LEU A 12 4.041 2.527 -8.020 1.00 1.00 C ATOM 178 C LEU A 12 5.495 2.065 -7.929 1.00 1.00 C ATOM 179 O LEU A 12 6.042 1.530 -8.892 1.00 1.00 O ATOM 180 CB LEU A 12 3.986 4.056 -8.124 1.00 1.00 C ATOM 181 CG LEU A 12 2.658 4.696 -7.710 1.00 1.00 C ATOM 182 CD1 LEU A 12 2.736 5.215 -6.282 1.00 1.00 C ATOM 183 CD2 LEU A 12 2.286 5.821 -8.666 1.00 1.00 C ATOM 0 H LEU A 12 2.747 2.783 -6.385 1.00 1.00 H new ATOM 0 HA LEU A 12 3.596 2.097 -8.917 1.00 1.00 H new ATOM 0 HB2 LEU A 12 4.780 4.474 -7.505 1.00 1.00 H new ATOM 0 HB3 LEU A 12 4.202 4.341 -9.154 1.00 1.00 H new ATOM 0 HG LEU A 12 1.881 3.933 -7.756 1.00 1.00 H new ATOM 0 HD11 LEU A 12 1.783 5.666 -6.006 1.00 1.00 H new ATOM 0 HD12 LEU A 12 2.955 4.389 -5.606 1.00 1.00 H new ATOM 0 HD13 LEU A 12 3.526 5.963 -6.209 1.00 1.00 H new ATOM 0 HD21 LEU A 12 1.340 6.264 -8.356 1.00 1.00 H new ATOM 0 HD22 LEU A 12 3.065 6.583 -8.652 1.00 1.00 H new ATOM 0 HD23 LEU A 12 2.187 5.423 -9.676 1.00 1.00 H new ATOM 195 N PRO A 13 6.144 2.267 -6.767 1.00 1.00 N ATOM 196 CA PRO A 13 7.537 1.872 -6.557 1.00 1.00 C ATOM 197 C PRO A 13 7.671 0.384 -6.240 1.00 1.00 C ATOM 198 O PRO A 13 8.310 0.003 -5.259 1.00 1.00 O ATOM 199 CB PRO A 13 7.979 2.722 -5.351 1.00 1.00 C ATOM 200 CG PRO A 13 6.797 3.568 -4.979 1.00 1.00 C ATOM 201 CD PRO A 13 5.592 2.893 -5.566 1.00 1.00 C ATOM 0 HA PRO A 13 8.144 2.032 -7.448 1.00 1.00 H new ATOM 0 HB2 PRO A 13 8.281 2.088 -4.518 1.00 1.00 H new ATOM 0 HB3 PRO A 13 8.837 3.343 -5.606 1.00 1.00 H new ATOM 0 HG2 PRO A 13 6.706 3.653 -3.896 1.00 1.00 H new ATOM 0 HG3 PRO A 13 6.905 4.580 -5.370 1.00 1.00 H new ATOM 0 HD2 PRO A 13 5.164 2.158 -4.884 1.00 1.00 H new ATOM 0 HD3 PRO A 13 4.802 3.605 -5.804 1.00 1.00 H new ATOM 209 N CYS A 14 7.059 -0.453 -7.072 1.00 1.00 N ATOM 210 CA CYS A 14 7.104 -1.894 -6.874 1.00 1.00 C ATOM 211 C CYS A 14 6.828 -2.634 -8.179 1.00 1.00 C ATOM 212 O CYS A 14 7.500 -3.613 -8.505 1.00 1.00 O ATOM 213 CB CYS A 14 6.079 -2.303 -5.817 1.00 1.00 C ATOM 214 SG CYS A 14 6.807 -2.877 -4.250 1.00 1.00 S ATOM 0 H CYS A 14 6.526 -0.156 -7.890 1.00 1.00 H new ATOM 0 HA CYS A 14 8.104 -2.163 -6.534 1.00 1.00 H new ATOM 0 HB2 CYS A 14 5.427 -1.454 -5.612 1.00 1.00 H new ATOM 0 HB3 CYS A 14 5.451 -3.095 -6.224 1.00 1.00 H new ATOM 0 HG CYS A 14 7.739 -2.052 -3.877 1.00 1.00 H new ATOM 219 N GLY A 15 5.831 -2.161 -8.918 1.00 1.00 N ATOM 220 CA GLY A 15 5.474 -2.781 -10.170 1.00 1.00 C ATOM 221 C GLY A 15 4.253 -3.671 -10.046 1.00 1.00 C ATOM 222 O GLY A 15 4.111 -4.649 -10.779 1.00 1.00 O ATOM 0 H GLY A 15 5.263 -1.353 -8.665 1.00 1.00 H new ATOM 0 HA2 GLY A 15 5.283 -2.008 -10.914 1.00 1.00 H new ATOM 0 HA3 GLY A 15 6.315 -3.371 -10.533 1.00 1.00 H new ATOM 226 N ILE A 16 3.371 -3.328 -9.111 1.00 1.00 N ATOM 227 CA ILE A 16 2.154 -4.100 -8.886 1.00 1.00 C ATOM 228 C ILE A 16 0.968 -3.180 -8.618 1.00 1.00 C ATOM 229 O ILE A 16 1.143 -2.021 -8.241 1.00 1.00 O ATOM 230 CB ILE A 16 2.311 -5.076 -7.699 1.00 1.00 C ATOM 231 CG1 ILE A 16 3.738 -5.628 -7.639 1.00 1.00 C ATOM 232 CG2 ILE A 16 1.302 -6.210 -7.810 1.00 1.00 C ATOM 233 CD1 ILE A 16 4.010 -6.467 -6.410 1.00 1.00 C ATOM 0 H ILE A 16 3.477 -2.520 -8.497 1.00 1.00 H new ATOM 0 HA ILE A 16 1.972 -4.675 -9.794 1.00 1.00 H new ATOM 0 HB ILE A 16 2.118 -4.530 -6.775 1.00 1.00 H new ATOM 0 HG12 ILE A 16 3.924 -6.230 -8.528 1.00 1.00 H new ATOM 0 HG13 ILE A 16 4.442 -4.796 -7.664 1.00 1.00 H new ATOM 0 HG21 ILE A 16 1.424 -6.890 -6.967 1.00 1.00 H new ATOM 0 HG22 ILE A 16 0.292 -5.800 -7.802 1.00 1.00 H new ATOM 0 HG23 ILE A 16 1.466 -6.753 -8.741 1.00 1.00 H new ATOM 0 HD11 ILE A 16 5.039 -6.825 -6.434 1.00 1.00 H new ATOM 0 HD12 ILE A 16 3.857 -5.863 -5.516 1.00 1.00 H new ATOM 0 HD13 ILE A 16 3.330 -7.319 -6.393 1.00 1.00 H new ATOM 245 N ALA A 17 -0.238 -3.702 -8.813 1.00 1.00 N ATOM 246 CA ALA A 17 -1.452 -2.925 -8.592 1.00 1.00 C ATOM 247 C ALA A 17 -2.516 -3.762 -7.890 1.00 1.00 C ATOM 248 O ALA A 17 -3.027 -4.732 -8.452 1.00 1.00 O ATOM 249 CB ALA A 17 -1.985 -2.390 -9.912 1.00 1.00 C ATOM 0 H ALA A 17 -0.401 -4.660 -9.124 1.00 1.00 H new ATOM 0 HA ALA A 17 -1.203 -2.083 -7.947 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -2.891 -1.812 -9.731 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -1.234 -1.751 -10.376 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -2.213 -3.223 -10.577 1.00 1.00 H new ATOM 255 N PHE A 18 -2.843 -3.384 -6.659 1.00 1.00 N ATOM 256 CA PHE A 18 -3.834 -4.091 -5.878 1.00 1.00 C ATOM 257 C PHE A 18 -5.239 -3.599 -6.206 1.00 1.00 C ATOM 258 O PHE A 18 -5.434 -2.830 -7.147 1.00 1.00 O ATOM 259 CB PHE A 18 -3.536 -3.883 -4.398 1.00 1.00 C ATOM 260 CG PHE A 18 -2.403 -4.728 -3.891 1.00 1.00 C ATOM 261 CD1 PHE A 18 -1.149 -4.651 -4.476 1.00 1.00 C ATOM 262 CD2 PHE A 18 -2.592 -5.601 -2.832 1.00 1.00 C ATOM 263 CE1 PHE A 18 -0.104 -5.428 -4.013 1.00 1.00 C ATOM 264 CE2 PHE A 18 -1.550 -6.380 -2.365 1.00 1.00 C ATOM 265 CZ PHE A 18 -0.305 -6.293 -2.956 1.00 1.00 C ATOM 0 H PHE A 18 -2.428 -2.583 -6.183 1.00 1.00 H new ATOM 0 HA PHE A 18 -3.788 -5.153 -6.120 1.00 1.00 H new ATOM 0 HB2 PHE A 18 -3.300 -2.833 -4.227 1.00 1.00 H new ATOM 0 HB3 PHE A 18 -4.433 -4.107 -3.820 1.00 1.00 H new ATOM 0 HD1 PHE A 18 -0.986 -3.976 -5.303 1.00 1.00 H new ATOM 0 HD2 PHE A 18 -3.564 -5.674 -2.366 1.00 1.00 H new ATOM 0 HE1 PHE A 18 0.869 -5.359 -4.477 1.00 1.00 H new ATOM 0 HE2 PHE A 18 -1.710 -7.056 -1.538 1.00 1.00 H new ATOM 0 HZ PHE A 18 0.510 -6.901 -2.592 1.00 1.00 H new ATOM 275 N SER A 19 -6.215 -4.045 -5.424 1.00 1.00 N ATOM 276 CA SER A 19 -7.602 -3.647 -5.632 1.00 1.00 C ATOM 277 C SER A 19 -8.394 -3.751 -4.334 1.00 1.00 C ATOM 278 O SER A 19 -9.597 -4.016 -4.350 1.00 1.00 O ATOM 279 CB SER A 19 -8.249 -4.516 -6.710 1.00 1.00 C ATOM 280 OG SER A 19 -8.063 -3.954 -7.998 1.00 1.00 O ATOM 0 H SER A 19 -6.072 -4.682 -4.640 1.00 1.00 H new ATOM 0 HA SER A 19 -7.612 -2.608 -5.962 1.00 1.00 H new ATOM 0 HB2 SER A 19 -7.819 -5.517 -6.681 1.00 1.00 H new ATOM 0 HB3 SER A 19 -9.315 -4.621 -6.506 1.00 1.00 H new ATOM 0 HG SER A 19 -7.215 -3.463 -8.022 1.00 1.00 H new ATOM 286 N SER A 20 -7.714 -3.538 -3.211 1.00 1.00 N ATOM 287 CA SER A 20 -8.357 -3.605 -1.906 1.00 1.00 C ATOM 288 C SER A 20 -7.477 -2.975 -0.828 1.00 1.00 C ATOM 289 O SER A 20 -6.301 -3.317 -0.703 1.00 1.00 O ATOM 290 CB SER A 20 -8.674 -5.057 -1.543 1.00 1.00 C ATOM 291 OG SER A 20 -10.021 -5.376 -1.840 1.00 1.00 O ATOM 0 H SER A 20 -6.719 -3.318 -3.180 1.00 1.00 H new ATOM 0 HA SER A 20 -9.288 -3.041 -1.960 1.00 1.00 H new ATOM 0 HB2 SER A 20 -8.010 -5.725 -2.091 1.00 1.00 H new ATOM 0 HB3 SER A 20 -8.484 -5.219 -0.482 1.00 1.00 H new ATOM 0 HG SER A 20 -10.253 -5.025 -2.725 1.00 1.00 H new ATOM 297 N PRO A 21 -8.033 -2.042 -0.030 1.00 1.00 N ATOM 298 CA PRO A 21 -7.287 -1.367 1.039 1.00 1.00 C ATOM 299 C PRO A 21 -6.608 -2.349 1.988 1.00 1.00 C ATOM 300 O PRO A 21 -5.395 -2.292 2.190 1.00 1.00 O ATOM 301 CB PRO A 21 -8.365 -0.569 1.778 1.00 1.00 C ATOM 302 CG PRO A 21 -9.435 -0.351 0.767 1.00 1.00 C ATOM 303 CD PRO A 21 -9.430 -1.572 -0.108 1.00 1.00 C ATOM 0 HA PRO A 21 -6.479 -0.753 0.642 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -8.742 -1.118 2.641 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -7.972 0.378 2.149 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -10.405 -0.218 1.247 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -9.243 0.549 0.183 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -10.129 -2.327 0.252 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -9.717 -1.334 -1.132 1.00 1.00 H new ATOM 311 N SER A 22 -7.396 -3.246 2.571 1.00 1.00 N ATOM 312 CA SER A 22 -6.868 -4.238 3.503 1.00 1.00 C ATOM 313 C SER A 22 -5.741 -5.040 2.863 1.00 1.00 C ATOM 314 O SER A 22 -4.759 -5.382 3.523 1.00 1.00 O ATOM 315 CB SER A 22 -7.980 -5.181 3.965 1.00 1.00 C ATOM 316 OG SER A 22 -8.764 -4.583 4.983 1.00 1.00 O ATOM 0 H SER A 22 -8.402 -3.307 2.415 1.00 1.00 H new ATOM 0 HA SER A 22 -6.469 -3.708 4.368 1.00 1.00 H new ATOM 0 HB2 SER A 22 -8.615 -5.442 3.118 1.00 1.00 H new ATOM 0 HB3 SER A 22 -7.544 -6.109 4.335 1.00 1.00 H new ATOM 0 HG SER A 22 -9.469 -5.204 5.260 1.00 1.00 H new ATOM 322 N THR A 23 -5.881 -5.335 1.575 1.00 1.00 N ATOM 323 CA THR A 23 -4.865 -6.093 0.859 1.00 1.00 C ATOM 324 C THR A 23 -3.552 -5.325 0.832 1.00 1.00 C ATOM 325 O THR A 23 -2.478 -5.907 0.984 1.00 1.00 O ATOM 326 CB THR A 23 -5.327 -6.405 -0.564 1.00 1.00 C ATOM 327 OG1 THR A 23 -6.713 -6.695 -0.589 1.00 1.00 O ATOM 328 CG2 THR A 23 -4.603 -7.581 -1.184 1.00 1.00 C ATOM 0 H THR A 23 -6.684 -5.062 1.009 1.00 1.00 H new ATOM 0 HA THR A 23 -4.708 -7.035 1.383 1.00 1.00 H new ATOM 0 HB THR A 23 -5.099 -5.511 -1.144 1.00 1.00 H new ATOM 0 HG1 THR A 23 -6.901 -7.333 -1.309 1.00 1.00 H new ATOM 0 HG21 THR A 23 -4.979 -7.748 -2.193 1.00 1.00 H new ATOM 0 HG22 THR A 23 -3.534 -7.370 -1.225 1.00 1.00 H new ATOM 0 HG23 THR A 23 -4.774 -8.473 -0.581 1.00 1.00 H new ATOM 336 N LEU A 24 -3.645 -4.012 0.659 1.00 1.00 N ATOM 337 CA LEU A 24 -2.466 -3.163 0.637 1.00 1.00 C ATOM 338 C LEU A 24 -1.696 -3.317 1.936 1.00 1.00 C ATOM 339 O LEU A 24 -0.472 -3.446 1.942 1.00 1.00 O ATOM 340 CB LEU A 24 -2.857 -1.698 0.443 1.00 1.00 C ATOM 341 CG LEU A 24 -4.080 -1.446 -0.440 1.00 1.00 C ATOM 342 CD1 LEU A 24 -4.228 0.040 -0.727 1.00 1.00 C ATOM 343 CD2 LEU A 24 -3.977 -2.234 -1.738 1.00 1.00 C ATOM 0 H LEU A 24 -4.526 -3.514 0.532 1.00 1.00 H new ATOM 0 HA LEU A 24 -1.837 -3.469 -0.199 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -3.043 -1.259 1.423 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -2.007 -1.169 0.013 1.00 1.00 H new ATOM 0 HG LEU A 24 -4.967 -1.785 0.095 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -5.103 0.204 -1.356 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -4.350 0.581 0.211 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -3.338 0.402 -1.242 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -4.857 -2.041 -2.352 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -3.082 -1.927 -2.280 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -3.918 -3.299 -1.513 1.00 1.00 H new ATOM 355 N GLU A 25 -2.434 -3.309 3.038 1.00 1.00 N ATOM 356 CA GLU A 25 -1.839 -3.455 4.358 1.00 1.00 C ATOM 357 C GLU A 25 -1.051 -4.753 4.446 1.00 1.00 C ATOM 358 O GLU A 25 -0.046 -4.839 5.152 1.00 1.00 O ATOM 359 CB GLU A 25 -2.922 -3.415 5.440 1.00 1.00 C ATOM 360 CG GLU A 25 -2.472 -2.745 6.727 1.00 1.00 C ATOM 361 CD GLU A 25 -3.335 -3.128 7.914 1.00 1.00 C ATOM 362 OE1 GLU A 25 -3.300 -4.310 8.317 1.00 1.00 O ATOM 363 OE2 GLU A 25 -4.046 -2.246 8.441 1.00 1.00 O ATOM 0 H GLU A 25 -3.448 -3.203 3.043 1.00 1.00 H new ATOM 0 HA GLU A 25 -1.154 -2.623 4.521 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -3.793 -2.888 5.051 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -3.239 -4.434 5.662 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -1.437 -3.017 6.932 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -2.497 -1.663 6.598 1.00 1.00 H new ATOM 370 N ALA A 26 -1.509 -5.757 3.713 1.00 1.00 N ATOM 371 CA ALA A 26 -0.851 -7.043 3.691 1.00 1.00 C ATOM 372 C ALA A 26 0.484 -6.938 2.974 1.00 1.00 C ATOM 373 O ALA A 26 1.467 -7.563 3.370 1.00 1.00 O ATOM 374 CB ALA A 26 -1.739 -8.089 3.033 1.00 1.00 C ATOM 0 H ALA A 26 -2.340 -5.699 3.124 1.00 1.00 H new ATOM 0 HA ALA A 26 -0.666 -7.357 4.718 1.00 1.00 H new ATOM 0 HB1 ALA A 26 -1.225 -9.050 3.026 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -2.670 -8.179 3.592 1.00 1.00 H new ATOM 0 HB3 ALA A 26 -1.958 -7.788 2.009 1.00 1.00 H new ATOM 380 N HIS A 27 0.511 -6.122 1.927 1.00 1.00 N ATOM 381 CA HIS A 27 1.728 -5.907 1.159 1.00 1.00 C ATOM 382 C HIS A 27 2.682 -5.044 1.965 1.00 1.00 C ATOM 383 O HIS A 27 3.847 -5.392 2.164 1.00 1.00 O ATOM 384 CB HIS A 27 1.398 -5.232 -0.174 1.00 1.00 C ATOM 385 CG HIS A 27 2.602 -4.860 -0.982 1.00 1.00 C ATOM 386 ND1 HIS A 27 3.370 -5.765 -1.681 1.00 1.00 N ATOM 387 CD2 HIS A 27 3.168 -3.644 -1.196 1.00 1.00 C ATOM 388 CE1 HIS A 27 4.357 -5.087 -2.283 1.00 1.00 C ATOM 389 NE2 HIS A 27 4.278 -3.796 -2.021 1.00 1.00 N ATOM 0 H HIS A 27 -0.298 -5.599 1.591 1.00 1.00 H new ATOM 0 HA HIS A 27 2.200 -6.867 0.950 1.00 1.00 H new ATOM 0 HB2 HIS A 27 0.770 -5.901 -0.763 1.00 1.00 H new ATOM 0 HB3 HIS A 27 0.812 -4.334 0.020 1.00 1.00 H new ATOM 0 HD2 HIS A 27 2.813 -2.708 -0.790 1.00 1.00 H new ATOM 0 HE1 HIS A 27 5.118 -5.539 -2.902 1.00 1.00 H new ATOM 0 HE2 HIS A 27 4.902 -3.061 -2.354 1.00 1.00 H new ATOM 397 N GLN A 28 2.164 -3.927 2.451 1.00 1.00 N ATOM 398 CA GLN A 28 2.947 -3.016 3.267 1.00 1.00 C ATOM 399 C GLN A 28 3.399 -3.714 4.548 1.00 1.00 C ATOM 400 O GLN A 28 4.325 -3.262 5.222 1.00 1.00 O ATOM 401 CB GLN A 28 2.119 -1.773 3.608 1.00 1.00 C ATOM 402 CG GLN A 28 2.546 -0.531 2.844 1.00 1.00 C ATOM 403 CD GLN A 28 2.059 0.749 3.495 1.00 1.00 C ATOM 404 OE1 GLN A 28 1.114 1.380 3.020 1.00 1.00 O ATOM 405 NE2 GLN A 28 2.704 1.140 4.588 1.00 1.00 N ATOM 0 H GLN A 28 1.201 -3.630 2.293 1.00 1.00 H new ATOM 0 HA GLN A 28 3.829 -2.709 2.705 1.00 1.00 H new ATOM 0 HB2 GLN A 28 1.069 -1.977 3.397 1.00 1.00 H new ATOM 0 HB3 GLN A 28 2.197 -1.577 4.677 1.00 1.00 H new ATOM 0 HG2 GLN A 28 3.633 -0.508 2.774 1.00 1.00 H new ATOM 0 HG3 GLN A 28 2.162 -0.585 1.825 1.00 1.00 H new ATOM 0 HE21 GLN A 28 3.482 0.586 4.947 1.00 1.00 H new ATOM 0 HE22 GLN A 28 2.422 1.994 5.069 1.00 1.00 H new ATOM 414 N ALA A 29 2.732 -4.821 4.880 1.00 1.00 N ATOM 415 CA ALA A 29 3.056 -5.582 6.077 1.00 1.00 C ATOM 416 C ALA A 29 4.441 -6.217 5.990 1.00 1.00 C ATOM 417 O ALA A 29 5.310 -5.931 6.813 1.00 1.00 O ATOM 418 CB ALA A 29 1.998 -6.649 6.322 1.00 1.00 C ATOM 0 H ALA A 29 1.963 -5.207 4.332 1.00 1.00 H new ATOM 0 HA ALA A 29 3.068 -4.888 6.917 1.00 1.00 H new ATOM 0 HB1 ALA A 29 2.251 -7.212 7.220 1.00 1.00 H new ATOM 0 HB2 ALA A 29 1.026 -6.174 6.453 1.00 1.00 H new ATOM 0 HB3 ALA A 29 1.959 -7.326 5.468 1.00 1.00 H new ATOM 424 N TYR A 30 4.642 -7.097 5.010 1.00 1.00 N ATOM 425 CA TYR A 30 5.923 -7.773 4.867 1.00 1.00 C ATOM 426 C TYR A 30 6.299 -8.035 3.406 1.00 1.00 C ATOM 427 O TYR A 30 7.234 -8.790 3.136 1.00 1.00 O ATOM 428 CB TYR A 30 5.883 -9.095 5.627 1.00 1.00 C ATOM 429 CG TYR A 30 6.113 -8.949 7.115 1.00 1.00 C ATOM 430 CD1 TYR A 30 5.090 -8.525 7.955 1.00 1.00 C ATOM 431 CD2 TYR A 30 7.350 -9.233 7.679 1.00 1.00 C ATOM 432 CE1 TYR A 30 5.294 -8.391 9.315 1.00 1.00 C ATOM 433 CE2 TYR A 30 7.561 -9.101 9.038 1.00 1.00 C ATOM 434 CZ TYR A 30 6.531 -8.679 9.851 1.00 1.00 C ATOM 435 OH TYR A 30 6.737 -8.545 11.206 1.00 1.00 O ATOM 0 H TYR A 30 3.942 -7.354 4.314 1.00 1.00 H new ATOM 0 HA TYR A 30 6.685 -7.112 5.280 1.00 1.00 H new ATOM 0 HB2 TYR A 30 4.915 -9.569 5.463 1.00 1.00 H new ATOM 0 HB3 TYR A 30 6.639 -9.763 5.215 1.00 1.00 H new ATOM 0 HD1 TYR A 30 4.120 -8.297 7.538 1.00 1.00 H new ATOM 0 HD2 TYR A 30 8.160 -9.562 7.045 1.00 1.00 H new ATOM 0 HE1 TYR A 30 4.488 -8.062 9.955 1.00 1.00 H new ATOM 0 HE2 TYR A 30 8.528 -9.327 9.461 1.00 1.00 H new ATOM 0 HH TYR A 30 7.661 -8.788 11.422 1.00 1.00 H new ATOM 445 N TYR A 31 5.588 -7.423 2.463 1.00 1.00 N ATOM 446 CA TYR A 31 5.893 -7.625 1.048 1.00 1.00 C ATOM 447 C TYR A 31 6.816 -6.531 0.522 1.00 1.00 C ATOM 448 O TYR A 31 7.886 -6.813 -0.016 1.00 1.00 O ATOM 449 CB TYR A 31 4.613 -7.662 0.215 1.00 1.00 C ATOM 450 CG TYR A 31 3.950 -9.021 0.179 1.00 1.00 C ATOM 451 CD1 TYR A 31 4.328 -9.973 -0.759 1.00 1.00 C ATOM 452 CD2 TYR A 31 2.947 -9.351 1.081 1.00 1.00 C ATOM 453 CE1 TYR A 31 3.723 -11.216 -0.798 1.00 1.00 C ATOM 454 CE2 TYR A 31 2.338 -10.591 1.049 1.00 1.00 C ATOM 455 CZ TYR A 31 2.730 -11.520 0.108 1.00 1.00 C ATOM 456 OH TYR A 31 2.126 -12.755 0.073 1.00 1.00 O ATOM 0 H TYR A 31 4.808 -6.792 2.647 1.00 1.00 H new ATOM 0 HA TYR A 31 6.402 -8.584 0.958 1.00 1.00 H new ATOM 0 HB2 TYR A 31 3.908 -6.934 0.616 1.00 1.00 H new ATOM 0 HB3 TYR A 31 4.844 -7.353 -0.804 1.00 1.00 H new ATOM 0 HD1 TYR A 31 5.107 -9.739 -1.469 1.00 1.00 H new ATOM 0 HD2 TYR A 31 2.638 -8.626 1.820 1.00 1.00 H new ATOM 0 HE1 TYR A 31 4.027 -11.945 -1.535 1.00 1.00 H new ATOM 0 HE2 TYR A 31 1.559 -10.831 1.757 1.00 1.00 H new ATOM 0 HH TYR A 31 1.448 -12.808 0.779 1.00 1.00 H new ATOM 466 N CYS A 32 6.394 -5.281 0.678 1.00 1.00 N ATOM 467 CA CYS A 32 7.185 -4.146 0.215 1.00 1.00 C ATOM 468 C CYS A 32 8.579 -4.162 0.834 1.00 1.00 C ATOM 469 O CYS A 32 8.755 -3.820 2.004 1.00 1.00 O ATOM 470 CB CYS A 32 6.479 -2.831 0.553 1.00 1.00 C ATOM 471 SG CYS A 32 6.625 -1.558 -0.743 1.00 1.00 S ATOM 0 H CYS A 32 5.511 -5.028 1.121 1.00 1.00 H new ATOM 0 HA CYS A 32 7.288 -4.227 -0.867 1.00 1.00 H new ATOM 0 HB2 CYS A 32 5.423 -3.033 0.732 1.00 1.00 H new ATOM 0 HB3 CYS A 32 6.891 -2.438 1.482 1.00 1.00 H new ATOM 0 HG CYS A 32 6.660 -2.129 -1.910 1.00 1.00 H new ATOM 476 N SER A 33 9.568 -4.565 0.039 1.00 1.00 N ATOM 477 CA SER A 33 10.953 -4.633 0.499 1.00 1.00 C ATOM 478 C SER A 33 11.050 -5.287 1.876 1.00 1.00 C ATOM 479 O SER A 33 10.087 -5.880 2.362 1.00 1.00 O ATOM 480 CB SER A 33 11.563 -3.231 0.544 1.00 1.00 C ATOM 481 OG SER A 33 12.954 -3.270 0.273 1.00 1.00 O ATOM 0 H SER A 33 9.435 -4.851 -0.931 1.00 1.00 H new ATOM 0 HA SER A 33 11.511 -5.247 -0.208 1.00 1.00 H new ATOM 0 HB2 SER A 33 11.065 -2.591 -0.185 1.00 1.00 H new ATOM 0 HB3 SER A 33 11.393 -2.789 1.526 1.00 1.00 H new ATOM 0 HG SER A 33 13.319 -2.361 0.306 1.00 1.00 H new ATOM 487 N HIS A 34 12.219 -5.176 2.498 1.00 1.00 N ATOM 488 CA HIS A 34 12.441 -5.756 3.818 1.00 1.00 C ATOM 489 C HIS A 34 12.279 -4.704 4.910 1.00 1.00 C ATOM 490 O HIS A 34 13.262 -4.168 5.422 1.00 1.00 O ATOM 491 CB HIS A 34 13.837 -6.377 3.895 1.00 1.00 C ATOM 492 CG HIS A 34 14.089 -7.419 2.850 1.00 1.00 C ATOM 493 ND1 HIS A 34 14.428 -7.113 1.548 1.00 1.00 N ATOM 494 CD2 HIS A 34 14.050 -8.771 2.917 1.00 1.00 C ATOM 495 CE1 HIS A 34 14.586 -8.230 0.861 1.00 1.00 C ATOM 496 NE2 HIS A 34 14.363 -9.250 1.669 1.00 1.00 N ATOM 0 H HIS A 34 13.027 -4.690 2.110 1.00 1.00 H new ATOM 0 HA HIS A 34 11.694 -6.534 3.976 1.00 1.00 H new ATOM 0 HB2 HIS A 34 14.582 -5.588 3.796 1.00 1.00 H new ATOM 0 HB3 HIS A 34 13.973 -6.823 4.880 1.00 1.00 H new ATOM 0 HD2 HIS A 34 13.816 -9.362 3.790 1.00 1.00 H new ATOM 0 HE1 HIS A 34 14.852 -8.297 -0.184 1.00 1.00 H new ATOM 0 HE2 HIS A 34 14.415 -10.235 1.408 1.00 1.00 H new ATOM 505 N ARG A 35 11.031 -4.411 5.260 1.00 1.00 N ATOM 506 CA ARG A 35 10.737 -3.422 6.292 1.00 1.00 C ATOM 507 C ARG A 35 11.225 -3.899 7.657 1.00 1.00 C ATOM 508 O ARG A 35 11.456 -5.090 7.864 1.00 1.00 O ATOM 509 CB ARG A 35 9.234 -3.139 6.343 1.00 1.00 C ATOM 510 CG ARG A 35 8.817 -1.926 5.527 1.00 1.00 C ATOM 511 CD ARG A 35 8.972 -0.640 6.322 1.00 1.00 C ATOM 512 NE ARG A 35 8.080 0.413 5.841 1.00 1.00 N ATOM 513 CZ ARG A 35 6.771 0.440 6.077 1.00 1.00 C ATOM 514 NH1 ARG A 35 6.197 -0.523 6.788 1.00 1.00 N ATOM 515 NH2 ARG A 35 6.033 1.434 5.604 1.00 1.00 N ATOM 0 H ARG A 35 10.206 -4.844 4.844 1.00 1.00 H new ATOM 0 HA ARG A 35 11.264 -2.502 6.040 1.00 1.00 H new ATOM 0 HB2 ARG A 35 8.695 -4.014 5.980 1.00 1.00 H new ATOM 0 HB3 ARG A 35 8.936 -2.989 7.381 1.00 1.00 H new ATOM 0 HG2 ARG A 35 9.421 -1.870 4.621 1.00 1.00 H new ATOM 0 HG3 ARG A 35 7.780 -2.037 5.212 1.00 1.00 H new ATOM 0 HD2 ARG A 35 8.766 -0.837 7.374 1.00 1.00 H new ATOM 0 HD3 ARG A 35 10.005 -0.297 6.259 1.00 1.00 H new ATOM 0 HE ARG A 35 8.485 1.172 5.292 1.00 1.00 H new ATOM 0 HH11 ARG A 35 6.760 -1.289 7.157 1.00 1.00 H new ATOM 0 HH12 ARG A 35 5.193 -0.497 6.965 1.00 1.00 H new ATOM 0 HH21 ARG A 35 6.469 2.178 5.059 1.00 1.00 H new ATOM 0 HH22 ARG A 35 5.029 1.455 5.785 1.00 1.00 H new ATOM 529 N ILE A 36 11.379 -2.959 8.584 1.00 1.00 N ATOM 530 CA ILE A 36 11.838 -3.282 9.930 1.00 1.00 C ATOM 531 C ILE A 36 11.480 -2.170 10.913 1.00 1.00 C ATOM 532 O ILE A 36 10.785 -2.463 11.908 1.00 1.00 O ATOM 533 CB ILE A 36 13.362 -3.516 9.961 1.00 1.00 C ATOM 534 CG1 ILE A 36 13.806 -3.953 11.359 1.00 1.00 C ATOM 535 CG2 ILE A 36 14.103 -2.259 9.531 1.00 1.00 C ATOM 536 CD1 ILE A 36 14.936 -4.959 11.348 1.00 1.00 C ATOM 537 OXT ILE A 36 11.898 -1.016 10.678 1.00 1.00 O ATOM 0 H ILE A 36 11.193 -1.968 8.428 1.00 1.00 H new ATOM 0 HA ILE A 36 11.333 -4.201 10.228 1.00 1.00 H new ATOM 0 HB ILE A 36 13.605 -4.313 9.258 1.00 1.00 H new ATOM 0 HG12 ILE A 36 14.118 -3.074 11.923 1.00 1.00 H new ATOM 0 HG13 ILE A 36 12.953 -4.383 11.884 1.00 1.00 H new ATOM 0 HG21 ILE A 36 15.177 -2.442 9.559 1.00 1.00 H new ATOM 0 HG22 ILE A 36 13.807 -1.991 8.517 1.00 1.00 H new ATOM 0 HG23 ILE A 36 13.857 -1.442 10.209 1.00 1.00 H new ATOM 0 HD11 ILE A 36 15.198 -5.223 12.373 1.00 1.00 H new ATOM 0 HD12 ILE A 36 14.621 -5.854 10.812 1.00 1.00 H new ATOM 0 HD13 ILE A 36 15.804 -4.526 10.852 1.00 1.00 H new