USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 434 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 43 ASN : amide:sc= -3.61! C(o=-2.8!,f=-4.8!) USER MOD Set 1.2: A 48 THR OG1 : rot 98:sc= 0.0171 USER MOD Set 1.3: A 50 THR OG1 : rot -102:sc= 0.812 USER MOD Set 2.1: A 31 GLN : amide:sc= -0.339 K(o=0.29,f=-3.1!) USER MOD Set 2.2: A 33 TYR OH : rot -83:sc= 0.63 USER MOD Single : A 4 MET CE :methyl -129:sc=-0.00727 (180deg=-0.25) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 172:sc= -0.487 USER MOD Single : A 16 TYR OH : rot 166:sc= -1.58! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 170:sc= -0.483 USER MOD Single : A 34 ASN : amide:sc= -0.362 X(o=-0.36,f=-0.53) USER MOD Single : A 35 ASN : amide:sc= -6.93! C(o=-6.9!,f=-20!) USER MOD Single : A 38 MET CE :methyl -132:sc= -0.264 (180deg=-1.36!) USER MOD Single : A 41 HIS : no HE2:sc= -0.0909 K(o=-0.091,f=-4.6!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 49 ASN : amide:sc=-0.00406 K(o=-0.0041,f=-1.5) USER MOD Single : A 51 HIS : no HD1:sc= -4.69! C(o=-4.7!,f=-4.3!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 4.933 -30.149 2.358 1.00 0.00 N ATOM 42 CA MET A 4 4.816 -30.556 0.931 1.00 0.00 C ATOM 43 C MET A 4 6.159 -30.321 0.239 1.00 0.00 C ATOM 44 O MET A 4 6.496 -30.974 -0.728 1.00 0.00 O ATOM 45 CB MET A 4 3.730 -29.724 0.246 1.00 0.00 C ATOM 46 CG MET A 4 2.366 -30.072 0.844 1.00 0.00 C ATOM 47 SD MET A 4 1.060 -29.280 -0.128 1.00 0.00 S ATOM 48 CE MET A 4 1.010 -30.491 -1.471 1.00 0.00 C ATOM 0 HA MET A 4 4.548 -31.611 0.868 1.00 0.00 H new ATOM 0 HB2 MET A 4 3.935 -28.661 0.376 1.00 0.00 H new ATOM 0 HB3 MET A 4 3.729 -29.920 -0.826 1.00 0.00 H new ATOM 0 HG2 MET A 4 2.225 -31.153 0.850 1.00 0.00 H new ATOM 0 HG3 MET A 4 2.316 -29.738 1.880 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.083 -29.976 -2.429 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.845 -31.184 -1.367 1.00 0.00 H new ATOM 0 HE3 MET A 4 0.072 -31.044 -1.427 1.00 0.00 H new ATOM 58 N CYS A 5 6.931 -29.393 0.737 1.00 0.00 N ATOM 59 CA CYS A 5 8.257 -29.116 0.118 1.00 0.00 C ATOM 60 C CYS A 5 9.295 -30.080 0.695 1.00 0.00 C ATOM 61 O CYS A 5 10.390 -30.210 0.185 1.00 0.00 O ATOM 62 CB CYS A 5 8.676 -27.678 0.429 1.00 0.00 C ATOM 63 SG CYS A 5 7.312 -26.558 0.058 1.00 0.00 S ATOM 0 H CYS A 5 6.700 -28.815 1.545 1.00 0.00 H new ATOM 0 HA CYS A 5 8.190 -29.250 -0.962 1.00 0.00 H new ATOM 0 HB2 CYS A 5 8.958 -27.589 1.478 1.00 0.00 H new ATOM 0 HB3 CYS A 5 9.552 -27.408 -0.160 1.00 0.00 H new ATOM 68 N LYS A 6 8.959 -30.759 1.758 1.00 0.00 N ATOM 69 CA LYS A 6 9.926 -31.715 2.367 1.00 0.00 C ATOM 70 C LYS A 6 9.908 -33.039 1.595 1.00 0.00 C ATOM 71 O LYS A 6 10.466 -34.026 2.032 1.00 0.00 O ATOM 72 CB LYS A 6 9.545 -31.967 3.827 1.00 0.00 C ATOM 73 CG LYS A 6 9.412 -30.628 4.558 1.00 0.00 C ATOM 74 CD LYS A 6 9.598 -30.845 6.061 1.00 0.00 C ATOM 75 CE LYS A 6 9.611 -29.490 6.772 1.00 0.00 C ATOM 76 NZ LYS A 6 10.997 -29.177 7.222 1.00 0.00 N ATOM 0 H LYS A 6 8.057 -30.693 2.230 1.00 0.00 H new ATOM 0 HA LYS A 6 10.928 -31.289 2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.605 -32.517 3.879 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.303 -32.584 4.310 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.157 -29.924 4.187 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.433 -30.190 4.362 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.792 -31.466 6.453 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.531 -31.376 6.250 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.251 -28.711 6.100 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.936 -29.510 7.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.005 -28.256 7.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.324 -29.915 7.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.630 -29.141 6.398 1.00 0.00 H new ATOM 90 N ASP A 7 9.270 -33.075 0.455 1.00 0.00 N ATOM 91 CA ASP A 7 9.223 -34.342 -0.329 1.00 0.00 C ATOM 92 C ASP A 7 9.256 -34.023 -1.827 1.00 0.00 C ATOM 93 O ASP A 7 8.885 -34.834 -2.652 1.00 0.00 O ATOM 94 CB ASP A 7 7.934 -35.095 0.000 1.00 0.00 C ATOM 95 CG ASP A 7 6.732 -34.212 -0.337 1.00 0.00 C ATOM 96 OD1 ASP A 7 6.913 -33.255 -1.071 1.00 0.00 O ATOM 97 OD2 ASP A 7 5.651 -34.506 0.146 1.00 0.00 O ATOM 0 H ASP A 7 8.781 -32.284 0.035 1.00 0.00 H new ATOM 0 HA ASP A 7 10.084 -34.958 -0.071 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.887 -36.024 -0.568 1.00 0.00 H new ATOM 0 HB3 ASP A 7 7.917 -35.365 1.056 1.00 0.00 H new ATOM 102 N TYR A 8 9.697 -32.846 -2.187 1.00 0.00 N ATOM 103 CA TYR A 8 9.751 -32.485 -3.632 1.00 0.00 C ATOM 104 C TYR A 8 11.153 -31.972 -3.979 1.00 0.00 C ATOM 105 O TYR A 8 11.861 -31.455 -3.138 1.00 0.00 O ATOM 106 CB TYR A 8 8.690 -31.406 -3.934 1.00 0.00 C ATOM 107 CG TYR A 8 9.297 -30.017 -3.882 1.00 0.00 C ATOM 108 CD1 TYR A 8 9.751 -29.499 -2.665 1.00 0.00 C ATOM 109 CD2 TYR A 8 9.407 -29.253 -5.052 1.00 0.00 C ATOM 110 CE1 TYR A 8 10.315 -28.219 -2.614 1.00 0.00 C ATOM 111 CE2 TYR A 8 9.970 -27.972 -5.001 1.00 0.00 C ATOM 112 CZ TYR A 8 10.424 -27.454 -3.782 1.00 0.00 C ATOM 113 OH TYR A 8 10.979 -26.192 -3.732 1.00 0.00 O ATOM 0 H TYR A 8 10.021 -32.123 -1.545 1.00 0.00 H new ATOM 0 HA TYR A 8 9.539 -33.364 -4.240 1.00 0.00 H new ATOM 0 HB2 TYR A 8 8.258 -31.581 -4.919 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.877 -31.479 -3.212 1.00 0.00 H new ATOM 0 HD1 TYR A 8 9.666 -30.087 -1.763 1.00 0.00 H new ATOM 0 HD2 TYR A 8 9.058 -29.652 -5.993 1.00 0.00 H new ATOM 0 HE1 TYR A 8 10.666 -27.821 -1.673 1.00 0.00 H new ATOM 0 HE2 TYR A 8 10.054 -27.383 -5.902 1.00 0.00 H new ATOM 0 HH TYR A 8 11.097 -25.850 -4.643 1.00 0.00 H new ATOM 123 N ARG A 9 11.550 -32.098 -5.214 1.00 0.00 N ATOM 124 CA ARG A 9 12.894 -31.603 -5.617 1.00 0.00 C ATOM 125 C ARG A 9 12.770 -30.850 -6.940 1.00 0.00 C ATOM 126 O ARG A 9 11.951 -31.175 -7.777 1.00 0.00 O ATOM 127 CB ARG A 9 13.856 -32.782 -5.781 1.00 0.00 C ATOM 128 CG ARG A 9 15.290 -32.259 -5.897 1.00 0.00 C ATOM 129 CD ARG A 9 15.724 -31.637 -4.566 1.00 0.00 C ATOM 130 NE ARG A 9 17.084 -31.046 -4.716 1.00 0.00 N ATOM 131 CZ ARG A 9 17.239 -29.926 -5.368 1.00 0.00 C ATOM 132 NH1 ARG A 9 17.293 -28.795 -4.719 1.00 0.00 N ATOM 133 NH2 ARG A 9 17.342 -29.937 -6.668 1.00 0.00 N ATOM 0 H ARG A 9 11.001 -32.523 -5.962 1.00 0.00 H new ATOM 0 HA ARG A 9 13.283 -30.936 -4.848 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.771 -33.456 -4.928 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.595 -33.358 -6.669 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.963 -33.073 -6.165 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.353 -31.517 -6.693 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.013 -30.869 -4.262 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.729 -32.395 -3.782 1.00 0.00 H new ATOM 0 HE ARG A 9 17.893 -31.516 -4.310 1.00 0.00 H new ATOM 0 HH11 ARG A 9 17.214 -28.786 -3.702 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.414 -27.920 -5.229 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.301 -30.821 -7.175 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.463 -29.062 -7.177 1.00 0.00 H new ATOM 147 N VAL A 10 13.568 -29.839 -7.135 1.00 0.00 N ATOM 148 CA VAL A 10 13.483 -29.064 -8.403 1.00 0.00 C ATOM 149 C VAL A 10 14.892 -28.756 -8.913 1.00 0.00 C ATOM 150 O VAL A 10 15.775 -28.402 -8.158 1.00 0.00 O ATOM 151 CB VAL A 10 12.730 -27.758 -8.147 1.00 0.00 C ATOM 152 CG1 VAL A 10 12.806 -26.870 -9.389 1.00 0.00 C ATOM 153 CG2 VAL A 10 11.263 -28.068 -7.833 1.00 0.00 C ATOM 0 H VAL A 10 14.274 -29.516 -6.473 1.00 0.00 H new ATOM 0 HA VAL A 10 12.952 -29.649 -9.154 1.00 0.00 H new ATOM 0 HB VAL A 10 13.183 -27.239 -7.302 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.269 -25.940 -9.205 1.00 0.00 H new ATOM 0 HG12 VAL A 10 13.849 -26.648 -9.614 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.354 -27.388 -10.235 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.726 -27.137 -7.650 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.812 -28.588 -8.678 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.206 -28.700 -6.947 1.00 0.00 H new ATOM 163 N LEU A 11 15.105 -28.893 -10.192 1.00 0.00 N ATOM 164 CA LEU A 11 16.453 -28.613 -10.763 1.00 0.00 C ATOM 165 C LEU A 11 16.357 -27.425 -11.723 1.00 0.00 C ATOM 166 O LEU A 11 15.286 -26.914 -11.983 1.00 0.00 O ATOM 167 CB LEU A 11 16.945 -29.847 -11.524 1.00 0.00 C ATOM 168 CG LEU A 11 18.141 -30.455 -10.790 1.00 0.00 C ATOM 169 CD1 LEU A 11 17.651 -31.217 -9.558 1.00 0.00 C ATOM 170 CD2 LEU A 11 18.880 -31.416 -11.724 1.00 0.00 C ATOM 0 H LEU A 11 14.401 -29.188 -10.869 1.00 0.00 H new ATOM 0 HA LEU A 11 17.152 -28.377 -9.961 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.143 -30.581 -11.605 1.00 0.00 H new ATOM 0 HB3 LEU A 11 17.230 -29.572 -12.540 1.00 0.00 H new ATOM 0 HG LEU A 11 18.818 -29.659 -10.479 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.504 -31.650 -9.035 1.00 0.00 H new ATOM 0 HD12 LEU A 11 17.126 -30.532 -8.892 1.00 0.00 H new ATOM 0 HD13 LEU A 11 16.973 -32.012 -9.868 1.00 0.00 H new ATOM 0 HD21 LEU A 11 19.732 -31.849 -11.200 1.00 0.00 H new ATOM 0 HD22 LEU A 11 18.204 -32.212 -12.037 1.00 0.00 H new ATOM 0 HD23 LEU A 11 19.231 -30.873 -12.601 1.00 0.00 H new ATOM 182 N PRO A 12 17.503 -26.979 -12.261 1.00 0.00 N ATOM 183 CA PRO A 12 17.550 -25.850 -13.198 1.00 0.00 C ATOM 184 C PRO A 12 16.857 -26.182 -14.522 1.00 0.00 C ATOM 185 O PRO A 12 16.448 -25.305 -15.258 1.00 0.00 O ATOM 186 CB PRO A 12 19.047 -25.638 -13.427 1.00 0.00 C ATOM 187 CG PRO A 12 19.657 -26.963 -13.128 1.00 0.00 C ATOM 188 CD PRO A 12 18.843 -27.538 -12.006 1.00 0.00 C ATOM 0 HA PRO A 12 17.037 -24.971 -12.808 1.00 0.00 H new ATOM 0 HB2 PRO A 12 19.253 -25.328 -14.451 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.443 -24.861 -12.773 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.632 -27.612 -14.003 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.703 -26.857 -12.839 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.838 -28.628 -12.026 1.00 0.00 H new ATOM 0 HD3 PRO A 12 19.228 -27.239 -11.031 1.00 0.00 H new ATOM 196 N ARG A 13 16.726 -27.441 -14.830 1.00 0.00 N ATOM 197 CA ARG A 13 16.061 -27.832 -16.106 1.00 0.00 C ATOM 198 C ARG A 13 14.629 -28.286 -15.819 1.00 0.00 C ATOM 199 O ARG A 13 13.752 -28.167 -16.652 1.00 0.00 O ATOM 200 CB ARG A 13 16.840 -28.977 -16.753 1.00 0.00 C ATOM 201 CG ARG A 13 18.182 -28.451 -17.267 1.00 0.00 C ATOM 202 CD ARG A 13 18.923 -29.569 -18.001 1.00 0.00 C ATOM 203 NE ARG A 13 20.326 -29.141 -18.262 1.00 0.00 N ATOM 204 CZ ARG A 13 21.256 -30.033 -18.457 1.00 0.00 C ATOM 205 NH1 ARG A 13 21.773 -30.187 -19.646 1.00 0.00 N ATOM 206 NH2 ARG A 13 21.672 -30.770 -17.465 1.00 0.00 N ATOM 0 H ARG A 13 17.050 -28.218 -14.254 1.00 0.00 H new ATOM 0 HA ARG A 13 16.040 -26.977 -16.782 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.003 -29.776 -16.029 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.265 -29.404 -17.575 1.00 0.00 H new ATOM 0 HG2 ARG A 13 18.021 -27.607 -17.937 1.00 0.00 H new ATOM 0 HG3 ARG A 13 18.784 -28.087 -16.435 1.00 0.00 H new ATOM 0 HD2 ARG A 13 18.914 -30.480 -17.403 1.00 0.00 H new ATOM 0 HD3 ARG A 13 18.420 -29.799 -18.940 1.00 0.00 H new ATOM 0 HE ARG A 13 20.559 -28.148 -18.288 1.00 0.00 H new ATOM 0 HH11 ARG A 13 21.449 -29.609 -20.422 1.00 0.00 H new ATOM 0 HH12 ARG A 13 22.501 -30.885 -19.799 1.00 0.00 H new ATOM 0 HH21 ARG A 13 21.270 -30.649 -16.536 1.00 0.00 H new ATOM 0 HH22 ARG A 13 22.400 -31.468 -17.618 1.00 0.00 H new ATOM 220 N ILE A 14 14.384 -28.811 -14.650 1.00 0.00 N ATOM 221 CA ILE A 14 13.008 -29.274 -14.316 1.00 0.00 C ATOM 222 C ILE A 14 12.152 -28.078 -13.893 1.00 0.00 C ATOM 223 O ILE A 14 11.071 -27.864 -14.404 1.00 0.00 O ATOM 224 CB ILE A 14 13.078 -30.288 -13.172 1.00 0.00 C ATOM 225 CG1 ILE A 14 13.929 -31.486 -13.602 1.00 0.00 C ATOM 226 CG2 ILE A 14 11.666 -30.764 -12.826 1.00 0.00 C ATOM 227 CD1 ILE A 14 14.252 -32.349 -12.381 1.00 0.00 C ATOM 0 H ILE A 14 15.077 -28.939 -13.912 1.00 0.00 H new ATOM 0 HA ILE A 14 12.559 -29.744 -15.191 1.00 0.00 H new ATOM 0 HB ILE A 14 13.528 -29.818 -12.298 1.00 0.00 H new ATOM 0 HG12 ILE A 14 13.395 -32.076 -14.346 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.851 -31.141 -14.071 1.00 0.00 H new ATOM 0 HG21 ILE A 14 11.715 -31.486 -12.011 1.00 0.00 H new ATOM 0 HG22 ILE A 14 11.060 -29.912 -12.519 1.00 0.00 H new ATOM 0 HG23 ILE A 14 11.216 -31.234 -13.701 1.00 0.00 H new ATOM 0 HD11 ILE A 14 14.858 -33.202 -12.688 1.00 0.00 H new ATOM 0 HD12 ILE A 14 14.804 -31.756 -11.652 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.325 -32.706 -11.932 1.00 0.00 H new ATOM 239 N GLY A 15 12.628 -27.293 -12.964 1.00 0.00 N ATOM 240 CA GLY A 15 11.841 -26.109 -12.512 1.00 0.00 C ATOM 241 C GLY A 15 10.782 -26.550 -11.500 1.00 0.00 C ATOM 242 O GLY A 15 10.832 -27.643 -10.972 1.00 0.00 O ATOM 0 H GLY A 15 13.527 -27.420 -12.499 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.504 -25.370 -12.061 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.364 -25.629 -13.367 1.00 0.00 H new ATOM 246 N TYR A 16 9.824 -25.706 -11.224 1.00 0.00 N ATOM 247 CA TYR A 16 8.763 -26.077 -10.246 1.00 0.00 C ATOM 248 C TYR A 16 7.501 -26.506 -10.994 1.00 0.00 C ATOM 249 O TYR A 16 7.202 -26.011 -12.062 1.00 0.00 O ATOM 250 CB TYR A 16 8.440 -24.874 -9.357 1.00 0.00 C ATOM 251 CG TYR A 16 8.161 -25.352 -7.953 1.00 0.00 C ATOM 252 CD1 TYR A 16 7.040 -26.150 -7.695 1.00 0.00 C ATOM 253 CD2 TYR A 16 9.025 -24.998 -6.909 1.00 0.00 C ATOM 254 CE1 TYR A 16 6.783 -26.595 -6.393 1.00 0.00 C ATOM 255 CE2 TYR A 16 8.767 -25.443 -5.607 1.00 0.00 C ATOM 256 CZ TYR A 16 7.646 -26.242 -5.348 1.00 0.00 C ATOM 257 OH TYR A 16 7.392 -26.682 -4.065 1.00 0.00 O ATOM 0 H TYR A 16 9.731 -24.777 -11.634 1.00 0.00 H new ATOM 0 HA TYR A 16 9.118 -26.902 -9.628 1.00 0.00 H new ATOM 0 HB2 TYR A 16 9.275 -24.174 -9.356 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.576 -24.339 -9.750 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.374 -26.422 -8.500 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.890 -24.382 -7.108 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.919 -27.211 -6.194 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.433 -25.170 -4.802 1.00 0.00 H new ATOM 0 HH TYR A 16 8.187 -26.544 -3.509 1.00 0.00 H new ATOM 267 N LEU A 17 6.758 -27.424 -10.440 1.00 0.00 N ATOM 268 CA LEU A 17 5.514 -27.885 -11.117 1.00 0.00 C ATOM 269 C LEU A 17 4.311 -27.612 -10.214 1.00 0.00 C ATOM 270 O LEU A 17 4.287 -27.993 -9.060 1.00 0.00 O ATOM 271 CB LEU A 17 5.611 -29.386 -11.394 1.00 0.00 C ATOM 272 CG LEU A 17 7.036 -29.731 -11.829 1.00 0.00 C ATOM 273 CD1 LEU A 17 7.938 -29.815 -10.597 1.00 0.00 C ATOM 274 CD2 LEU A 17 7.032 -31.077 -12.555 1.00 0.00 C ATOM 0 H LEU A 17 6.959 -27.875 -9.547 1.00 0.00 H new ATOM 0 HA LEU A 17 5.392 -27.348 -12.058 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.345 -29.950 -10.500 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.903 -29.670 -12.172 1.00 0.00 H new ATOM 0 HG LEU A 17 7.411 -28.958 -12.499 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.954 -30.061 -10.906 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.938 -28.855 -10.080 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.566 -30.589 -9.926 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.047 -31.326 -12.866 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.658 -31.851 -11.885 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.388 -31.015 -13.432 1.00 0.00 H new ATOM 286 N CYS A 18 3.310 -26.954 -10.730 1.00 0.00 N ATOM 287 CA CYS A 18 2.108 -26.657 -9.902 1.00 0.00 C ATOM 288 C CYS A 18 0.848 -26.994 -10.701 1.00 0.00 C ATOM 289 O CYS A 18 0.864 -27.028 -11.916 1.00 0.00 O ATOM 290 CB CYS A 18 2.098 -25.173 -9.529 1.00 0.00 C ATOM 291 SG CYS A 18 3.613 -24.775 -8.626 1.00 0.00 S ATOM 0 H CYS A 18 3.273 -26.609 -11.689 1.00 0.00 H new ATOM 0 HA CYS A 18 2.133 -27.257 -8.992 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.025 -24.561 -10.428 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.225 -24.946 -8.917 1.00 0.00 H new ATOM 296 N PRO A 19 -0.264 -27.251 -10.001 1.00 0.00 N ATOM 297 CA PRO A 19 -1.540 -27.589 -10.640 1.00 0.00 C ATOM 298 C PRO A 19 -2.151 -26.385 -11.363 1.00 0.00 C ATOM 299 O PRO A 19 -1.730 -25.261 -11.179 1.00 0.00 O ATOM 300 CB PRO A 19 -2.430 -28.006 -9.469 1.00 0.00 C ATOM 301 CG PRO A 19 -1.845 -27.311 -8.285 1.00 0.00 C ATOM 302 CD PRO A 19 -0.364 -27.229 -8.532 1.00 0.00 C ATOM 0 HA PRO A 19 -1.425 -28.363 -11.399 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.466 -27.707 -9.632 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.428 -29.088 -9.335 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.275 -26.316 -8.167 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.056 -27.861 -7.368 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.064 -26.318 -8.113 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.166 -28.067 -8.080 1.00 0.00 H new ATOM 310 N LYS A 20 -3.136 -26.615 -12.185 1.00 0.00 N ATOM 311 CA LYS A 20 -3.770 -25.486 -12.922 1.00 0.00 C ATOM 312 C LYS A 20 -4.889 -24.883 -12.070 1.00 0.00 C ATOM 313 O LYS A 20 -5.372 -23.801 -12.338 1.00 0.00 O ATOM 314 CB LYS A 20 -4.350 -26.002 -14.240 1.00 0.00 C ATOM 315 CG LYS A 20 -4.625 -24.824 -15.176 1.00 0.00 C ATOM 316 CD LYS A 20 -5.093 -25.353 -16.534 1.00 0.00 C ATOM 317 CE LYS A 20 -5.392 -24.176 -17.466 1.00 0.00 C ATOM 318 NZ LYS A 20 -5.183 -24.598 -18.880 1.00 0.00 N ATOM 0 H LYS A 20 -3.530 -27.536 -12.379 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.022 -24.721 -13.129 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.653 -26.697 -14.709 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.271 -26.553 -14.052 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.385 -24.173 -14.745 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.723 -24.224 -15.298 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.325 -25.991 -16.972 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.985 -25.967 -16.409 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.418 -23.837 -17.324 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.742 -23.334 -17.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.386 -23.799 -19.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.197 -24.901 -19.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.820 -25.389 -19.104 1.00 0.00 H new ATOM 332 N ASP A 21 -5.304 -25.573 -11.042 1.00 0.00 N ATOM 333 CA ASP A 21 -6.390 -25.036 -10.175 1.00 0.00 C ATOM 334 C ASP A 21 -5.839 -23.889 -9.326 1.00 0.00 C ATOM 335 O ASP A 21 -5.105 -24.101 -8.382 1.00 0.00 O ATOM 336 CB ASP A 21 -6.906 -26.147 -9.260 1.00 0.00 C ATOM 337 CG ASP A 21 -8.254 -25.731 -8.666 1.00 0.00 C ATOM 338 OD1 ASP A 21 -8.709 -24.645 -8.983 1.00 0.00 O ATOM 339 OD2 ASP A 21 -8.807 -26.508 -7.904 1.00 0.00 O ATOM 0 H ASP A 21 -4.938 -26.484 -10.766 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.207 -24.669 -10.796 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.014 -27.075 -9.822 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.188 -26.339 -8.462 1.00 0.00 H new ATOM 344 N LEU A 22 -6.188 -22.675 -9.652 1.00 0.00 N ATOM 345 CA LEU A 22 -5.684 -21.518 -8.861 1.00 0.00 C ATOM 346 C LEU A 22 -6.393 -21.479 -7.508 1.00 0.00 C ATOM 347 O LEU A 22 -7.584 -21.251 -7.425 1.00 0.00 O ATOM 348 CB LEU A 22 -5.963 -20.218 -9.620 1.00 0.00 C ATOM 349 CG LEU A 22 -5.468 -19.030 -8.794 1.00 0.00 C ATOM 350 CD1 LEU A 22 -3.983 -19.211 -8.477 1.00 0.00 C ATOM 351 CD2 LEU A 22 -5.666 -17.737 -9.589 1.00 0.00 C ATOM 0 H LEU A 22 -6.800 -22.435 -10.432 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.610 -21.625 -8.707 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.463 -20.235 -10.588 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.031 -20.120 -9.815 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.033 -18.975 -7.864 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.631 -18.364 -7.888 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.842 -20.131 -7.910 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.417 -19.267 -9.407 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.313 -16.890 -9.000 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.101 -17.792 -10.520 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.725 -17.607 -9.814 1.00 0.00 H new ATOM 363 N LYS A 23 -5.672 -21.699 -6.443 1.00 0.00 N ATOM 364 CA LYS A 23 -6.308 -21.672 -5.096 1.00 0.00 C ATOM 365 C LYS A 23 -5.580 -20.658 -4.213 1.00 0.00 C ATOM 366 O LYS A 23 -4.502 -20.919 -3.716 1.00 0.00 O ATOM 367 CB LYS A 23 -6.221 -23.062 -4.461 1.00 0.00 C ATOM 368 CG LYS A 23 -7.406 -23.908 -4.924 1.00 0.00 C ATOM 369 CD LYS A 23 -7.850 -24.830 -3.785 1.00 0.00 C ATOM 370 CE LYS A 23 -7.867 -26.277 -4.278 1.00 0.00 C ATOM 371 NZ LYS A 23 -9.275 -26.760 -4.352 1.00 0.00 N ATOM 0 H LYS A 23 -4.671 -21.896 -6.447 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.355 -21.385 -5.192 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.285 -23.544 -4.742 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.223 -22.978 -3.374 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.231 -23.263 -5.227 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.126 -24.499 -5.796 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.172 -24.731 -2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.841 -24.542 -3.435 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.396 -26.344 -5.259 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.289 -26.909 -3.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.287 -27.744 -4.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.709 -26.710 -3.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.813 -26.163 -5.012 1.00 0.00 H new ATOM 385 N PRO A 24 -6.186 -19.477 -4.022 1.00 0.00 N ATOM 386 CA PRO A 24 -5.603 -18.404 -3.203 1.00 0.00 C ATOM 387 C PRO A 24 -5.492 -18.799 -1.730 1.00 0.00 C ATOM 388 O PRO A 24 -6.479 -19.043 -1.069 1.00 0.00 O ATOM 389 CB PRO A 24 -6.597 -17.252 -3.367 1.00 0.00 C ATOM 390 CG PRO A 24 -7.880 -17.921 -3.723 1.00 0.00 C ATOM 391 CD PRO A 24 -7.494 -19.094 -4.577 1.00 0.00 C ATOM 0 HA PRO A 24 -4.588 -18.159 -3.515 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.691 -16.674 -2.448 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.279 -16.560 -4.147 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.416 -18.244 -2.830 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.540 -17.242 -4.263 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.219 -19.905 -4.504 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.424 -18.823 -5.630 1.00 0.00 H new ATOM 399 N VAL A 25 -4.297 -18.866 -1.213 1.00 0.00 N ATOM 400 CA VAL A 25 -4.130 -19.247 0.218 1.00 0.00 C ATOM 401 C VAL A 25 -3.514 -18.083 0.998 1.00 0.00 C ATOM 402 O VAL A 25 -2.862 -17.223 0.439 1.00 0.00 O ATOM 403 CB VAL A 25 -3.211 -20.466 0.319 1.00 0.00 C ATOM 404 CG1 VAL A 25 -3.704 -21.560 -0.630 1.00 0.00 C ATOM 405 CG2 VAL A 25 -1.786 -20.060 -0.066 1.00 0.00 C ATOM 0 H VAL A 25 -3.431 -18.674 -1.717 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.106 -19.487 0.639 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.220 -20.844 1.341 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.048 -22.428 -0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.719 -21.848 -0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.696 -21.185 -1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.129 -20.927 0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.779 -19.682 -1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.434 -19.281 0.611 1.00 0.00 H new ATOM 415 N CYS A 26 -3.716 -18.050 2.289 1.00 0.00 N ATOM 416 CA CYS A 26 -3.141 -16.943 3.109 1.00 0.00 C ATOM 417 C CYS A 26 -1.842 -17.414 3.767 1.00 0.00 C ATOM 418 O CYS A 26 -1.852 -18.259 4.635 1.00 0.00 O ATOM 419 CB CYS A 26 -4.142 -16.537 4.195 1.00 0.00 C ATOM 420 SG CYS A 26 -3.347 -15.398 5.357 1.00 0.00 S ATOM 0 H CYS A 26 -4.254 -18.742 2.811 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.934 -16.088 2.466 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -5.013 -16.062 3.742 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.500 -17.421 4.723 1.00 0.00 H new ATOM 425 N GLY A 27 -0.726 -16.873 3.364 1.00 0.00 N ATOM 426 CA GLY A 27 0.571 -17.293 3.971 1.00 0.00 C ATOM 427 C GLY A 27 0.614 -16.876 5.443 1.00 0.00 C ATOM 428 O GLY A 27 0.191 -15.797 5.807 1.00 0.00 O ATOM 0 H GLY A 27 -0.655 -16.158 2.640 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.690 -18.373 3.886 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.401 -16.837 3.430 1.00 0.00 H new ATOM 432 N ASP A 28 1.125 -17.726 6.292 1.00 0.00 N ATOM 433 CA ASP A 28 1.200 -17.387 7.743 1.00 0.00 C ATOM 434 C ASP A 28 2.237 -16.285 7.961 1.00 0.00 C ATOM 435 O ASP A 28 2.345 -15.724 9.034 1.00 0.00 O ATOM 436 CB ASP A 28 1.606 -18.631 8.536 1.00 0.00 C ATOM 437 CG ASP A 28 2.966 -19.127 8.044 1.00 0.00 C ATOM 438 OD1 ASP A 28 3.565 -18.445 7.227 1.00 0.00 O ATOM 439 OD2 ASP A 28 3.386 -20.180 8.492 1.00 0.00 O ATOM 0 H ASP A 28 1.495 -18.643 6.043 1.00 0.00 H new ATOM 0 HA ASP A 28 0.225 -17.038 8.083 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.655 -18.398 9.600 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.856 -19.413 8.416 1.00 0.00 H new ATOM 444 N ASP A 29 3.000 -15.967 6.954 1.00 0.00 N ATOM 445 CA ASP A 29 4.025 -14.898 7.110 1.00 0.00 C ATOM 446 C ASP A 29 3.361 -13.529 6.953 1.00 0.00 C ATOM 447 O ASP A 29 4.011 -12.504 7.002 1.00 0.00 O ATOM 448 CB ASP A 29 5.106 -15.068 6.041 1.00 0.00 C ATOM 449 CG ASP A 29 5.939 -16.312 6.356 1.00 0.00 C ATOM 450 OD1 ASP A 29 5.766 -16.861 7.432 1.00 0.00 O ATOM 451 OD2 ASP A 29 6.736 -16.692 5.516 1.00 0.00 O ATOM 0 H ASP A 29 2.959 -16.400 6.031 1.00 0.00 H new ATOM 0 HA ASP A 29 4.479 -14.970 8.099 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.648 -15.163 5.056 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.746 -14.186 6.011 1.00 0.00 H new ATOM 456 N GLY A 30 2.070 -13.502 6.760 1.00 0.00 N ATOM 457 CA GLY A 30 1.369 -12.200 6.597 1.00 0.00 C ATOM 458 C GLY A 30 1.224 -11.892 5.107 1.00 0.00 C ATOM 459 O GLY A 30 0.938 -10.777 4.717 1.00 0.00 O ATOM 0 H GLY A 30 1.472 -14.327 6.708 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.388 -12.240 7.070 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.929 -11.407 7.092 1.00 0.00 H new ATOM 463 N GLN A 31 1.421 -12.873 4.271 1.00 0.00 N ATOM 464 CA GLN A 31 1.297 -12.640 2.806 1.00 0.00 C ATOM 465 C GLN A 31 0.293 -13.629 2.215 1.00 0.00 C ATOM 466 O GLN A 31 -0.115 -14.575 2.859 1.00 0.00 O ATOM 467 CB GLN A 31 2.658 -12.842 2.140 1.00 0.00 C ATOM 468 CG GLN A 31 3.622 -11.749 2.603 1.00 0.00 C ATOM 469 CD GLN A 31 5.040 -12.093 2.140 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.285 -13.179 1.653 1.00 0.00 O ATOM 471 NE2 GLN A 31 5.989 -11.209 2.274 1.00 0.00 N ATOM 0 H GLN A 31 1.663 -13.827 4.540 1.00 0.00 H new ATOM 0 HA GLN A 31 0.952 -11.621 2.630 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.057 -13.824 2.394 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.552 -12.812 1.056 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.318 -10.785 2.196 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.594 -11.660 3.689 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.783 -10.298 2.683 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.937 -11.429 1.970 1.00 0.00 H new ATOM 480 N THR A 32 -0.106 -13.421 0.992 1.00 0.00 N ATOM 481 CA THR A 32 -1.080 -14.350 0.358 1.00 0.00 C ATOM 482 C THR A 32 -0.483 -14.905 -0.934 1.00 0.00 C ATOM 483 O THR A 32 0.072 -14.179 -1.735 1.00 0.00 O ATOM 484 CB THR A 32 -2.373 -13.598 0.037 1.00 0.00 C ATOM 485 OG1 THR A 32 -2.854 -12.966 1.214 1.00 0.00 O ATOM 486 CG2 THR A 32 -3.420 -14.581 -0.483 1.00 0.00 C ATOM 0 H THR A 32 0.201 -12.646 0.404 1.00 0.00 H new ATOM 0 HA THR A 32 -1.298 -15.169 1.043 1.00 0.00 H new ATOM 0 HB THR A 32 -2.177 -12.844 -0.726 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.585 -12.356 0.982 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.341 -14.045 -0.711 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.048 -15.065 -1.386 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.619 -15.336 0.277 1.00 0.00 H new ATOM 494 N TYR A 33 -0.589 -16.187 -1.145 1.00 0.00 N ATOM 495 CA TYR A 33 -0.026 -16.783 -2.387 1.00 0.00 C ATOM 496 C TYR A 33 -1.171 -17.251 -3.284 1.00 0.00 C ATOM 497 O TYR A 33 -1.985 -18.065 -2.895 1.00 0.00 O ATOM 498 CB TYR A 33 0.869 -17.966 -2.020 1.00 0.00 C ATOM 499 CG TYR A 33 2.012 -17.468 -1.167 1.00 0.00 C ATOM 500 CD1 TYR A 33 1.814 -17.237 0.200 1.00 0.00 C ATOM 501 CD2 TYR A 33 3.265 -17.233 -1.743 1.00 0.00 C ATOM 502 CE1 TYR A 33 2.871 -16.769 0.990 1.00 0.00 C ATOM 503 CE2 TYR A 33 4.321 -16.765 -0.953 1.00 0.00 C ATOM 504 CZ TYR A 33 4.124 -16.533 0.414 1.00 0.00 C ATOM 505 OH TYR A 33 5.167 -16.073 1.191 1.00 0.00 O ATOM 0 H TYR A 33 -1.041 -16.847 -0.512 1.00 0.00 H new ATOM 0 HA TYR A 33 0.567 -16.040 -2.920 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.296 -18.719 -1.480 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.252 -18.443 -2.922 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.847 -17.420 0.644 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.417 -17.413 -2.797 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.719 -16.590 2.044 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.288 -16.583 -1.398 1.00 0.00 H new ATOM 0 HH TYR A 33 5.097 -15.100 1.290 1.00 0.00 H new ATOM 515 N ASN A 34 -1.245 -16.734 -4.478 1.00 0.00 N ATOM 516 CA ASN A 34 -2.344 -17.137 -5.397 1.00 0.00 C ATOM 517 C ASN A 34 -2.482 -18.662 -5.400 1.00 0.00 C ATOM 518 O ASN A 34 -3.320 -19.215 -4.721 1.00 0.00 O ATOM 519 CB ASN A 34 -2.050 -16.628 -6.813 1.00 0.00 C ATOM 520 CG ASN A 34 -1.490 -15.208 -6.736 1.00 0.00 C ATOM 521 OD1 ASN A 34 -1.999 -14.380 -6.007 1.00 0.00 O ATOM 522 ND2 ASN A 34 -0.455 -14.890 -7.462 1.00 0.00 N ATOM 0 H ASN A 34 -0.591 -16.049 -4.857 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.281 -16.699 -5.053 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.335 -17.286 -7.307 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.961 -16.640 -7.412 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.072 -13.946 -7.418 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.028 -15.586 -8.074 1.00 0.00 H new ATOM 529 N ASN A 35 -1.675 -19.348 -6.157 1.00 0.00 N ATOM 530 CA ASN A 35 -1.776 -20.834 -6.194 1.00 0.00 C ATOM 531 C ASN A 35 -1.032 -21.429 -4.996 1.00 0.00 C ATOM 532 O ASN A 35 -0.028 -20.905 -4.556 1.00 0.00 O ATOM 533 CB ASN A 35 -1.162 -21.343 -7.502 1.00 0.00 C ATOM 534 CG ASN A 35 -1.049 -22.868 -7.471 1.00 0.00 C ATOM 535 OD1 ASN A 35 -0.306 -23.417 -6.685 1.00 0.00 O ATOM 536 ND2 ASN A 35 -1.762 -23.578 -8.304 1.00 0.00 N ATOM 0 H ASN A 35 -0.950 -18.946 -6.752 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.822 -21.137 -6.143 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.778 -21.033 -8.347 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.176 -20.900 -7.647 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.694 -24.596 -8.294 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.386 -23.115 -8.964 1.00 0.00 H new ATOM 543 N PRO A 36 -1.534 -22.554 -4.462 1.00 0.00 N ATOM 544 CA PRO A 36 -0.917 -23.234 -3.315 1.00 0.00 C ATOM 545 C PRO A 36 0.490 -23.734 -3.647 1.00 0.00 C ATOM 546 O PRO A 36 1.439 -23.443 -2.945 1.00 0.00 O ATOM 547 CB PRO A 36 -1.866 -24.405 -3.042 1.00 0.00 C ATOM 548 CG PRO A 36 -2.550 -24.631 -4.346 1.00 0.00 C ATOM 549 CD PRO A 36 -2.738 -23.261 -4.931 1.00 0.00 C ATOM 0 HA PRO A 36 -0.792 -22.575 -2.456 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.321 -25.292 -2.719 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.580 -24.164 -2.254 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.950 -25.261 -5.002 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.506 -25.135 -4.207 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.797 -23.288 -6.019 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.653 -22.788 -4.574 1.00 0.00 H new ATOM 557 N CYS A 37 0.646 -24.463 -4.719 1.00 0.00 N ATOM 558 CA CYS A 37 2.006 -24.942 -5.084 1.00 0.00 C ATOM 559 C CYS A 37 2.886 -23.719 -5.345 1.00 0.00 C ATOM 560 O CYS A 37 4.089 -23.756 -5.181 1.00 0.00 O ATOM 561 CB CYS A 37 1.924 -25.808 -6.346 1.00 0.00 C ATOM 562 SG CYS A 37 3.580 -26.032 -7.046 1.00 0.00 S ATOM 0 H CYS A 37 -0.103 -24.745 -5.351 1.00 0.00 H new ATOM 0 HA CYS A 37 2.429 -25.542 -4.278 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.487 -26.777 -6.105 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.270 -25.337 -7.080 1.00 0.00 H new ATOM 567 N MET A 38 2.284 -22.628 -5.742 1.00 0.00 N ATOM 568 CA MET A 38 3.071 -21.393 -6.004 1.00 0.00 C ATOM 569 C MET A 38 3.638 -20.875 -4.680 1.00 0.00 C ATOM 570 O MET A 38 4.554 -20.077 -4.655 1.00 0.00 O ATOM 571 CB MET A 38 2.157 -20.331 -6.623 1.00 0.00 C ATOM 572 CG MET A 38 2.246 -20.412 -8.148 1.00 0.00 C ATOM 573 SD MET A 38 3.910 -19.942 -8.683 1.00 0.00 S ATOM 574 CE MET A 38 3.805 -18.192 -8.237 1.00 0.00 C ATOM 0 H MET A 38 1.279 -22.542 -5.895 1.00 0.00 H new ATOM 0 HA MET A 38 3.887 -21.611 -6.693 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.128 -20.487 -6.299 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.452 -19.338 -6.283 1.00 0.00 H new ATOM 0 HG2 MET A 38 2.017 -21.424 -8.483 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.507 -19.752 -8.601 1.00 0.00 H new ATOM 0 HE1 MET A 38 4.157 -17.583 -9.070 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.770 -17.936 -8.011 1.00 0.00 H new ATOM 0 HE3 MET A 38 4.425 -18.002 -7.361 1.00 0.00 H new ATOM 584 N LEU A 39 3.106 -21.335 -3.580 1.00 0.00 N ATOM 585 CA LEU A 39 3.619 -20.883 -2.258 1.00 0.00 C ATOM 586 C LEU A 39 5.030 -21.432 -2.074 1.00 0.00 C ATOM 587 O LEU A 39 5.978 -20.694 -1.885 1.00 0.00 O ATOM 588 CB LEU A 39 2.706 -21.415 -1.149 1.00 0.00 C ATOM 589 CG LEU A 39 3.343 -21.144 0.215 1.00 0.00 C ATOM 590 CD1 LEU A 39 3.169 -19.669 0.576 1.00 0.00 C ATOM 591 CD2 LEU A 39 2.666 -22.011 1.279 1.00 0.00 C ATOM 0 H LEU A 39 2.338 -22.005 -3.541 1.00 0.00 H new ATOM 0 HA LEU A 39 3.636 -19.794 -2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.729 -20.935 -1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.544 -22.485 -1.280 1.00 0.00 H new ATOM 0 HG LEU A 39 4.405 -21.386 0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.623 -19.476 1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.653 -19.050 -0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.107 -19.427 0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.121 -21.817 2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.604 -21.771 1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.791 -23.063 1.024 1.00 0.00 H new ATOM 603 N CYS A 40 5.179 -22.723 -2.146 1.00 0.00 N ATOM 604 CA CYS A 40 6.531 -23.321 -1.997 1.00 0.00 C ATOM 605 C CYS A 40 7.460 -22.681 -3.027 1.00 0.00 C ATOM 606 O CYS A 40 8.660 -22.618 -2.849 1.00 0.00 O ATOM 607 CB CYS A 40 6.447 -24.823 -2.241 1.00 0.00 C ATOM 608 SG CYS A 40 7.940 -25.610 -1.603 1.00 0.00 S ATOM 0 H CYS A 40 4.423 -23.390 -2.302 1.00 0.00 H new ATOM 0 HA CYS A 40 6.915 -23.145 -0.992 1.00 0.00 H new ATOM 0 HB2 CYS A 40 5.566 -25.235 -1.750 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.341 -25.025 -3.307 1.00 0.00 H new ATOM 613 N HIS A 41 6.903 -22.195 -4.104 1.00 0.00 N ATOM 614 CA HIS A 41 7.734 -21.543 -5.151 1.00 0.00 C ATOM 615 C HIS A 41 8.269 -20.222 -4.605 1.00 0.00 C ATOM 616 O HIS A 41 9.461 -20.028 -4.474 1.00 0.00 O ATOM 617 CB HIS A 41 6.872 -21.271 -6.383 1.00 0.00 C ATOM 618 CG HIS A 41 7.757 -20.993 -7.567 1.00 0.00 C ATOM 619 ND1 HIS A 41 8.511 -21.984 -8.176 1.00 0.00 N ATOM 620 CD2 HIS A 41 8.019 -19.840 -8.266 1.00 0.00 C ATOM 621 CE1 HIS A 41 9.183 -21.415 -9.192 1.00 0.00 C ATOM 622 NE2 HIS A 41 8.920 -20.109 -9.293 1.00 0.00 N ATOM 0 H HIS A 41 5.903 -22.223 -4.302 1.00 0.00 H new ATOM 0 HA HIS A 41 8.564 -22.194 -5.426 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.232 -22.129 -6.588 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.215 -20.421 -6.199 1.00 0.00 H new ATOM 0 HD1 HIS A 41 8.549 -22.966 -7.903 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.591 -18.872 -8.052 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.855 -21.949 -9.848 1.00 0.00 H new ATOM 630 N GLU A 42 7.393 -19.315 -4.271 1.00 0.00 N ATOM 631 CA GLU A 42 7.848 -18.013 -3.717 1.00 0.00 C ATOM 632 C GLU A 42 8.686 -18.285 -2.469 1.00 0.00 C ATOM 633 O GLU A 42 9.462 -17.460 -2.031 1.00 0.00 O ATOM 634 CB GLU A 42 6.632 -17.166 -3.341 1.00 0.00 C ATOM 635 CG GLU A 42 5.826 -16.839 -4.597 1.00 0.00 C ATOM 636 CD GLU A 42 4.741 -15.816 -4.252 1.00 0.00 C ATOM 637 OE1 GLU A 42 4.690 -15.402 -3.105 1.00 0.00 O ATOM 638 OE2 GLU A 42 3.980 -15.466 -5.138 1.00 0.00 O ATOM 0 H GLU A 42 6.382 -19.421 -4.358 1.00 0.00 H new ATOM 0 HA GLU A 42 8.441 -17.476 -4.457 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.009 -17.704 -2.627 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.954 -16.246 -2.854 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.483 -16.442 -5.371 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.373 -17.746 -4.998 1.00 0.00 H new ATOM 645 N ASN A 43 8.535 -19.450 -1.900 1.00 0.00 N ATOM 646 CA ASN A 43 9.320 -19.799 -0.684 1.00 0.00 C ATOM 647 C ASN A 43 10.757 -20.113 -1.098 1.00 0.00 C ATOM 648 O ASN A 43 11.697 -19.838 -0.377 1.00 0.00 O ATOM 649 CB ASN A 43 8.705 -21.030 -0.015 1.00 0.00 C ATOM 650 CG ASN A 43 7.422 -20.630 0.716 1.00 0.00 C ATOM 651 OD1 ASN A 43 7.222 -19.476 1.034 1.00 0.00 O ATOM 652 ND2 ASN A 43 6.534 -21.547 0.996 1.00 0.00 N ATOM 0 H ASN A 43 7.899 -20.177 -2.227 1.00 0.00 H new ATOM 0 HA ASN A 43 9.308 -18.964 0.016 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.487 -21.792 -0.763 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.415 -21.467 0.688 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.674 -21.293 1.481 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.701 -22.517 0.729 1.00 0.00 H new ATOM 659 N LEU A 44 10.934 -20.681 -2.259 1.00 0.00 N ATOM 660 CA LEU A 44 12.309 -21.006 -2.725 1.00 0.00 C ATOM 661 C LEU A 44 13.137 -19.724 -2.753 1.00 0.00 C ATOM 662 O LEU A 44 14.303 -19.716 -2.414 1.00 0.00 O ATOM 663 CB LEU A 44 12.242 -21.606 -4.132 1.00 0.00 C ATOM 664 CG LEU A 44 13.580 -22.268 -4.471 1.00 0.00 C ATOM 665 CD1 LEU A 44 14.669 -21.199 -4.580 1.00 0.00 C ATOM 666 CD2 LEU A 44 13.949 -23.264 -3.371 1.00 0.00 C ATOM 0 H LEU A 44 10.185 -20.934 -2.904 1.00 0.00 H new ATOM 0 HA LEU A 44 12.769 -21.727 -2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.437 -22.339 -4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.015 -20.827 -4.860 1.00 0.00 H new ATOM 0 HG LEU A 44 13.493 -22.793 -5.422 1.00 0.00 H new ATOM 0 HD11 LEU A 44 15.621 -21.672 -4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.406 -20.491 -5.366 1.00 0.00 H new ATOM 0 HD13 LEU A 44 14.757 -20.671 -3.630 1.00 0.00 H new ATOM 0 HD21 LEU A 44 14.902 -23.736 -3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 44 14.034 -22.740 -2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.175 -24.028 -3.297 1.00 0.00 H new ATOM 678 N ILE A 45 12.537 -18.634 -3.147 1.00 0.00 N ATOM 679 CA ILE A 45 13.285 -17.347 -3.187 1.00 0.00 C ATOM 680 C ILE A 45 13.407 -16.799 -1.766 1.00 0.00 C ATOM 681 O ILE A 45 14.469 -16.393 -1.335 1.00 0.00 O ATOM 682 CB ILE A 45 12.534 -16.343 -4.063 1.00 0.00 C ATOM 683 CG1 ILE A 45 11.846 -17.082 -5.215 1.00 0.00 C ATOM 684 CG2 ILE A 45 13.526 -15.322 -4.627 1.00 0.00 C ATOM 685 CD1 ILE A 45 11.403 -16.075 -6.278 1.00 0.00 C ATOM 0 H ILE A 45 11.562 -18.580 -3.442 1.00 0.00 H new ATOM 0 HA ILE A 45 14.278 -17.511 -3.605 1.00 0.00 H new ATOM 0 HB ILE A 45 11.782 -15.828 -3.466 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.528 -17.811 -5.652 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.984 -17.636 -4.842 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.994 -14.605 -5.252 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.013 -14.796 -3.806 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.278 -15.837 -5.225 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.914 -16.602 -7.097 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.706 -15.363 -5.837 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.274 -15.541 -6.659 1.00 0.00 H new ATOM 697 N ARG A 46 12.329 -16.791 -1.030 1.00 0.00 N ATOM 698 CA ARG A 46 12.385 -16.280 0.367 1.00 0.00 C ATOM 699 C ARG A 46 13.289 -17.194 1.196 1.00 0.00 C ATOM 700 O ARG A 46 13.874 -16.783 2.178 1.00 0.00 O ATOM 701 CB ARG A 46 10.977 -16.273 0.965 1.00 0.00 C ATOM 702 CG ARG A 46 10.094 -15.302 0.180 1.00 0.00 C ATOM 703 CD ARG A 46 8.655 -15.393 0.692 1.00 0.00 C ATOM 704 NE ARG A 46 7.748 -14.675 -0.246 1.00 0.00 N ATOM 705 CZ ARG A 46 7.905 -13.397 -0.453 1.00 0.00 C ATOM 706 NH1 ARG A 46 8.186 -12.605 0.546 1.00 0.00 N ATOM 707 NH2 ARG A 46 7.784 -12.911 -1.658 1.00 0.00 N ATOM 0 H ARG A 46 11.412 -17.117 -1.337 1.00 0.00 H new ATOM 0 HA ARG A 46 12.783 -15.265 0.373 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.551 -17.276 0.932 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.017 -15.978 2.014 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.467 -14.284 0.291 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.129 -15.540 -0.883 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.354 -16.437 0.778 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.584 -14.957 1.689 1.00 0.00 H new ATOM 0 HE ARG A 46 7.005 -15.182 -0.726 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.283 -12.986 1.487 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.309 -11.605 0.385 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.567 -13.531 -2.438 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.907 -11.911 -1.819 1.00 0.00 H new ATOM 721 N GLN A 47 13.408 -18.434 0.803 1.00 0.00 N ATOM 722 CA GLN A 47 14.274 -19.380 1.561 1.00 0.00 C ATOM 723 C GLN A 47 13.749 -19.525 2.990 1.00 0.00 C ATOM 724 O GLN A 47 14.507 -19.623 3.935 1.00 0.00 O ATOM 725 CB GLN A 47 15.706 -18.842 1.596 1.00 0.00 C ATOM 726 CG GLN A 47 16.272 -18.810 0.176 1.00 0.00 C ATOM 727 CD GLN A 47 17.719 -18.317 0.216 1.00 0.00 C ATOM 728 OE1 GLN A 47 18.161 -17.775 1.210 1.00 0.00 O ATOM 729 NE2 GLN A 47 18.481 -18.483 -0.831 1.00 0.00 N ATOM 0 H GLN A 47 12.942 -18.832 -0.012 1.00 0.00 H new ATOM 0 HA GLN A 47 14.262 -20.354 1.071 1.00 0.00 H new ATOM 0 HB2 GLN A 47 15.720 -17.841 2.027 1.00 0.00 H new ATOM 0 HB3 GLN A 47 16.327 -19.472 2.233 1.00 0.00 H new ATOM 0 HG2 GLN A 47 16.227 -19.805 -0.267 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.670 -18.154 -0.452 1.00 0.00 H new ATOM 0 HE21 GLN A 47 18.110 -18.938 -1.665 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.448 -18.158 -0.815 1.00 0.00 H new ATOM 738 N THR A 48 12.455 -19.541 3.157 1.00 0.00 N ATOM 739 CA THR A 48 11.884 -19.682 4.526 1.00 0.00 C ATOM 740 C THR A 48 10.861 -20.819 4.533 1.00 0.00 C ATOM 741 O THR A 48 10.481 -21.332 3.499 1.00 0.00 O ATOM 742 CB THR A 48 11.201 -18.375 4.933 1.00 0.00 C ATOM 743 OG1 THR A 48 9.936 -18.284 4.291 1.00 0.00 O ATOM 744 CG2 THR A 48 12.072 -17.188 4.518 1.00 0.00 C ATOM 0 H THR A 48 11.769 -19.463 2.406 1.00 0.00 H new ATOM 0 HA THR A 48 12.683 -19.906 5.233 1.00 0.00 H new ATOM 0 HB THR A 48 11.063 -18.359 6.014 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.234 -18.583 4.907 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.583 -16.258 4.809 1.00 0.00 H new ATOM 0 HG22 THR A 48 13.041 -17.258 5.011 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.213 -17.201 3.437 1.00 0.00 H new ATOM 752 N ASN A 49 10.412 -21.217 5.691 1.00 0.00 N ATOM 753 CA ASN A 49 9.415 -22.320 5.763 1.00 0.00 C ATOM 754 C ASN A 49 8.014 -21.726 5.927 1.00 0.00 C ATOM 755 O ASN A 49 7.352 -21.939 6.923 1.00 0.00 O ATOM 756 CB ASN A 49 9.731 -23.219 6.961 1.00 0.00 C ATOM 757 CG ASN A 49 11.109 -23.857 6.770 1.00 0.00 C ATOM 758 OD1 ASN A 49 11.623 -23.905 5.670 1.00 0.00 O ATOM 759 ND2 ASN A 49 11.732 -24.354 7.804 1.00 0.00 N ATOM 0 H ASN A 49 10.693 -20.826 6.590 1.00 0.00 H new ATOM 0 HA ASN A 49 9.458 -22.910 4.847 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.713 -22.636 7.882 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.970 -23.993 7.059 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.650 -24.783 7.689 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.300 -24.314 8.727 1.00 0.00 H new ATOM 766 N THR A 50 7.561 -20.981 4.957 1.00 0.00 N ATOM 767 CA THR A 50 6.204 -20.373 5.059 1.00 0.00 C ATOM 768 C THR A 50 5.140 -21.461 4.909 1.00 0.00 C ATOM 769 O THR A 50 5.242 -22.333 4.069 1.00 0.00 O ATOM 770 CB THR A 50 6.023 -19.336 3.947 1.00 0.00 C ATOM 771 OG1 THR A 50 7.097 -18.408 3.988 1.00 0.00 O ATOM 772 CG2 THR A 50 4.694 -18.599 4.146 1.00 0.00 C ATOM 0 H THR A 50 8.070 -20.767 4.100 1.00 0.00 H new ATOM 0 HA THR A 50 6.099 -19.891 6.031 1.00 0.00 H new ATOM 0 HB THR A 50 6.015 -19.836 2.979 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.794 -17.576 4.407 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.565 -17.861 3.354 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.872 -19.315 4.112 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.698 -18.097 5.113 1.00 0.00 H new ATOM 780 N HIS A 51 4.115 -21.412 5.715 1.00 0.00 N ATOM 781 CA HIS A 51 3.039 -22.437 5.617 1.00 0.00 C ATOM 782 C HIS A 51 1.724 -21.746 5.256 1.00 0.00 C ATOM 783 O HIS A 51 1.664 -20.540 5.119 1.00 0.00 O ATOM 784 CB HIS A 51 2.888 -23.149 6.962 1.00 0.00 C ATOM 785 CG HIS A 51 4.248 -23.415 7.550 1.00 0.00 C ATOM 786 ND1 HIS A 51 4.873 -24.648 7.439 1.00 0.00 N ATOM 787 CD2 HIS A 51 5.115 -22.619 8.256 1.00 0.00 C ATOM 788 CE1 HIS A 51 6.060 -24.558 8.065 1.00 0.00 C ATOM 789 NE2 HIS A 51 6.259 -23.342 8.580 1.00 0.00 N ATOM 0 H HIS A 51 3.977 -20.706 6.438 1.00 0.00 H new ATOM 0 HA HIS A 51 3.295 -23.167 4.849 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.299 -22.536 7.645 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.349 -24.087 6.830 1.00 0.00 H new ATOM 0 HD2 HIS A 51 4.936 -21.587 8.520 1.00 0.00 H new ATOM 0 HE1 HIS A 51 6.767 -25.371 8.142 1.00 0.00 H new ATOM 0 HE2 HIS A 51 7.074 -23.014 9.099 1.00 0.00 H new ATOM 797 N ILE A 52 0.669 -22.496 5.098 1.00 0.00 N ATOM 798 CA ILE A 52 -0.636 -21.870 4.746 1.00 0.00 C ATOM 799 C ILE A 52 -1.352 -21.425 6.021 1.00 0.00 C ATOM 800 O ILE A 52 -1.582 -22.204 6.925 1.00 0.00 O ATOM 801 CB ILE A 52 -1.513 -22.878 4.003 1.00 0.00 C ATOM 802 CG1 ILE A 52 -0.844 -23.265 2.682 1.00 0.00 C ATOM 803 CG2 ILE A 52 -2.875 -22.242 3.721 1.00 0.00 C ATOM 804 CD1 ILE A 52 -1.816 -24.094 1.840 1.00 0.00 C ATOM 0 H ILE A 52 0.654 -23.511 5.197 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.454 -21.007 4.106 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.644 -23.772 4.613 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.547 -22.369 2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.064 -23.836 2.876 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.507 -22.955 3.191 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.350 -21.966 4.663 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.740 -21.351 3.108 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.339 -24.369 0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.091 -24.997 2.385 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.711 -23.507 1.635 1.00 0.00 H new ATOM 816 N ARG A 53 -1.711 -20.175 6.094 1.00 0.00 N ATOM 817 CA ARG A 53 -2.420 -19.663 7.298 1.00 0.00 C ATOM 818 C ARG A 53 -3.901 -20.021 7.197 1.00 0.00 C ATOM 819 O ARG A 53 -4.460 -20.670 8.059 1.00 0.00 O ATOM 820 CB ARG A 53 -2.273 -18.143 7.362 1.00 0.00 C ATOM 821 CG ARG A 53 -2.954 -17.616 8.625 1.00 0.00 C ATOM 822 CD ARG A 53 -2.695 -16.114 8.760 1.00 0.00 C ATOM 823 NE ARG A 53 -3.318 -15.615 10.018 1.00 0.00 N ATOM 824 CZ ARG A 53 -3.626 -14.353 10.140 1.00 0.00 C ATOM 825 NH1 ARG A 53 -4.197 -13.722 9.151 1.00 0.00 N ATOM 826 NH2 ARG A 53 -3.363 -13.722 11.252 1.00 0.00 N ATOM 0 H ARG A 53 -1.542 -19.481 5.366 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.992 -20.111 8.195 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.218 -17.869 7.364 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.719 -17.687 6.478 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.026 -17.808 8.579 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.574 -18.141 9.501 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.623 -15.918 8.770 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.108 -15.584 7.902 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.504 -16.261 10.785 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.403 -14.215 8.282 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.438 -12.735 9.247 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.917 -14.216 12.025 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.604 -12.735 11.348 1.00 0.00 H new ATOM 840 N SER A 54 -4.535 -19.604 6.141 1.00 0.00 N ATOM 841 CA SER A 54 -5.979 -19.911 5.959 1.00 0.00 C ATOM 842 C SER A 54 -6.269 -20.078 4.468 1.00 0.00 C ATOM 843 O SER A 54 -5.552 -19.574 3.627 1.00 0.00 O ATOM 844 CB SER A 54 -6.823 -18.765 6.521 1.00 0.00 C ATOM 845 OG SER A 54 -8.124 -19.242 6.830 1.00 0.00 O ATOM 0 H SER A 54 -4.112 -19.059 5.389 1.00 0.00 H new ATOM 0 HA SER A 54 -6.229 -20.831 6.488 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.352 -18.357 7.415 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.884 -17.954 5.795 1.00 0.00 H new ATOM 0 HG SER A 54 -8.664 -18.508 7.192 1.00 0.00 H new ATOM 851 N THR A 55 -7.312 -20.785 4.130 1.00 0.00 N ATOM 852 CA THR A 55 -7.635 -20.982 2.690 1.00 0.00 C ATOM 853 C THR A 55 -8.235 -19.698 2.118 1.00 0.00 C ATOM 854 O THR A 55 -8.984 -19.002 2.774 1.00 0.00 O ATOM 855 CB THR A 55 -8.640 -22.125 2.544 1.00 0.00 C ATOM 856 OG1 THR A 55 -9.910 -21.700 3.017 1.00 0.00 O ATOM 857 CG2 THR A 55 -8.168 -23.330 3.358 1.00 0.00 C ATOM 0 H THR A 55 -7.952 -21.233 4.786 1.00 0.00 H new ATOM 0 HA THR A 55 -6.723 -21.228 2.146 1.00 0.00 H new ATOM 0 HB THR A 55 -8.718 -22.408 1.494 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.556 -22.431 2.922 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.886 -24.144 3.253 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.194 -23.656 2.994 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.088 -23.051 4.409 1.00 0.00 H new ATOM 865 N GLY A 56 -7.910 -19.380 0.896 1.00 0.00 N ATOM 866 CA GLY A 56 -8.459 -18.143 0.273 1.00 0.00 C ATOM 867 C GLY A 56 -7.473 -16.992 0.467 1.00 0.00 C ATOM 868 O GLY A 56 -6.591 -17.044 1.300 1.00 0.00 O ATOM 0 H GLY A 56 -7.286 -19.925 0.300 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.638 -18.307 -0.790 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.420 -17.892 0.723 1.00 0.00 H new ATOM 872 N LYS A 57 -7.624 -15.955 -0.300 1.00 0.00 N ATOM 873 CA LYS A 57 -6.709 -14.787 -0.174 1.00 0.00 C ATOM 874 C LYS A 57 -6.894 -14.140 1.199 1.00 0.00 C ATOM 875 O LYS A 57 -8.001 -13.965 1.668 1.00 0.00 O ATOM 876 CB LYS A 57 -7.032 -13.762 -1.265 1.00 0.00 C ATOM 877 CG LYS A 57 -6.793 -14.383 -2.643 1.00 0.00 C ATOM 878 CD LYS A 57 -6.688 -13.274 -3.691 1.00 0.00 C ATOM 879 CE LYS A 57 -6.521 -13.898 -5.078 1.00 0.00 C ATOM 880 NZ LYS A 57 -7.308 -13.114 -6.072 1.00 0.00 N ATOM 0 H LYS A 57 -8.346 -15.863 -1.015 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.678 -15.123 -0.284 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.069 -13.437 -1.177 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.409 -12.876 -1.141 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.878 -14.976 -2.633 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.609 -15.060 -2.895 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.581 -12.650 -3.666 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.840 -12.626 -3.467 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.468 -13.910 -5.359 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.859 -14.934 -5.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.195 -13.537 -7.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.313 -13.125 -5.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.965 -12.132 -6.090 1.00 0.00 H new ATOM 894 N CYS A 58 -5.820 -13.782 1.848 1.00 0.00 N ATOM 895 CA CYS A 58 -5.939 -13.146 3.189 1.00 0.00 C ATOM 896 C CYS A 58 -6.500 -11.730 3.032 1.00 0.00 C ATOM 897 O CYS A 58 -6.274 -11.070 2.037 1.00 0.00 O ATOM 898 CB CYS A 58 -4.558 -13.077 3.845 1.00 0.00 C ATOM 899 SG CYS A 58 -4.629 -13.843 5.483 1.00 0.00 S ATOM 0 H CYS A 58 -4.866 -13.903 1.507 1.00 0.00 H new ATOM 0 HA CYS A 58 -6.609 -13.736 3.814 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.823 -13.589 3.224 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.236 -12.039 3.931 1.00 0.00 H new ATOM 904 N GLU A 59 -7.229 -11.258 4.007 1.00 0.00 N ATOM 905 CA GLU A 59 -7.802 -9.886 3.912 1.00 0.00 C ATOM 906 C GLU A 59 -6.740 -8.925 3.373 1.00 0.00 C ATOM 907 O GLU A 59 -5.874 -8.540 4.140 1.00 0.00 O ATOM 908 CB GLU A 59 -8.250 -9.424 5.301 1.00 0.00 C ATOM 909 CG GLU A 59 -8.984 -8.088 5.183 1.00 0.00 C ATOM 910 CD GLU A 59 -9.346 -7.581 6.582 1.00 0.00 C ATOM 911 OE1 GLU A 59 -9.005 -8.254 7.540 1.00 0.00 O ATOM 912 OE2 GLU A 59 -9.961 -6.531 6.669 1.00 0.00 O ATOM 913 OXT GLU A 59 -6.813 -8.589 2.202 1.00 0.00 O ATOM 0 H GLU A 59 -7.452 -11.763 4.864 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.658 -9.896 3.238 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.903 -10.171 5.751 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.386 -9.319 5.957 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.355 -7.359 4.671 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.886 -8.208 4.583 1.00 0.00 H new