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 49 ASN : amide:sc= -0.0651 K(o=-1.9,f=-4.1!) USER MOD Set 1.2: A 51 HIS : no HE2:sc= -1.79! C(o=-1.9!,f=-11!) USER MOD Set 2.1: A 48 THR OG1 : rot 180:sc= 0.224 USER MOD Set 2.2: A 50 THR OG1 : rot 46:sc= 0.0714 USER MOD Set 3.1: A 31 GLN : amide:sc= -0.591 K(o=-3.8,f=-8.6!) USER MOD Set 3.2: A 33 TYR OH : rot 82:sc= -3.24! USER MOD Single : A 4 MET CE :methyl -121:sc= -0.0624 (180deg=-0.522) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 62:sc= -7.19! USER MOD Single : A 16 TYR OH : rot -160:sc= 0.268 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 180:sc= -0.0234 USER MOD Single : A 34 ASN : amide:sc= -8.23! C(o=-8.2!,f=-14!) USER MOD Single : A 35 ASN : amide:sc= -6.82! C(o=-6.8!,f=-21!) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -2.58! C(o=-2.6!,f=-7.2!) USER MOD Single : A 43 ASN : amide:sc= -8.92! C(o=-8.9!,f=-9.2!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.4!) 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 4.254 -30.057 1.739 1.00 0.00 N ATOM 42 CA MET A 4 4.552 -30.572 0.374 1.00 0.00 C ATOM 43 C MET A 4 6.033 -30.340 0.078 1.00 0.00 C ATOM 44 O MET A 4 6.653 -31.074 -0.665 1.00 0.00 O ATOM 45 CB MET A 4 3.699 -29.829 -0.658 1.00 0.00 C ATOM 46 CG MET A 4 2.216 -30.083 -0.373 1.00 0.00 C ATOM 47 SD MET A 4 1.212 -29.338 -1.683 1.00 0.00 S ATOM 48 CE MET A 4 1.506 -30.600 -2.947 1.00 0.00 C ATOM 0 HA MET A 4 4.322 -31.636 0.321 1.00 0.00 H new ATOM 0 HB2 MET A 4 3.910 -28.760 -0.618 1.00 0.00 H new ATOM 0 HB3 MET A 4 3.950 -30.166 -1.664 1.00 0.00 H new ATOM 0 HG2 MET A 4 2.024 -31.155 -0.318 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.943 -29.660 0.594 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.961 -30.138 -3.823 1.00 0.00 H new ATOM 0 HE2 MET A 4 2.175 -31.363 -2.550 1.00 0.00 H new ATOM 0 HE3 MET A 4 0.559 -31.059 -3.230 1.00 0.00 H new ATOM 58 N CYS A 5 6.605 -29.326 0.669 1.00 0.00 N ATOM 59 CA CYS A 5 8.050 -29.045 0.441 1.00 0.00 C ATOM 60 C CYS A 5 8.886 -29.987 1.311 1.00 0.00 C ATOM 61 O CYS A 5 10.095 -30.032 1.211 1.00 0.00 O ATOM 62 CB CYS A 5 8.353 -27.594 0.822 1.00 0.00 C ATOM 63 SG CYS A 5 7.004 -26.528 0.271 1.00 0.00 S ATOM 0 H CYS A 5 6.132 -28.680 1.301 1.00 0.00 H new ATOM 0 HA CYS A 5 8.295 -29.201 -0.610 1.00 0.00 H new ATOM 0 HB2 CYS A 5 8.479 -27.510 1.901 1.00 0.00 H new ATOM 0 HB3 CYS A 5 9.291 -27.276 0.366 1.00 0.00 H new ATOM 68 N LYS A 6 8.248 -30.740 2.170 1.00 0.00 N ATOM 69 CA LYS A 6 9.004 -31.676 3.049 1.00 0.00 C ATOM 70 C LYS A 6 9.848 -32.620 2.192 1.00 0.00 C ATOM 71 O LYS A 6 10.916 -33.044 2.588 1.00 0.00 O ATOM 72 CB LYS A 6 8.020 -32.497 3.886 1.00 0.00 C ATOM 73 CG LYS A 6 7.616 -31.699 5.126 1.00 0.00 C ATOM 74 CD LYS A 6 7.008 -32.643 6.165 1.00 0.00 C ATOM 75 CE LYS A 6 6.192 -31.833 7.174 1.00 0.00 C ATOM 76 NZ LYS A 6 6.968 -31.685 8.438 1.00 0.00 N ATOM 0 H LYS A 6 7.236 -30.746 2.299 1.00 0.00 H new ATOM 0 HA LYS A 6 9.657 -31.103 3.707 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.138 -32.741 3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.477 -33.442 4.181 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.486 -31.192 5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.896 -30.926 4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.372 -33.380 5.674 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.797 -33.194 6.677 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.956 -30.851 6.763 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.243 -32.331 7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.413 -31.134 9.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.171 -32.625 8.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.862 -31.192 8.241 1.00 0.00 H new ATOM 90 N ASP A 7 9.379 -32.958 1.022 1.00 0.00 N ATOM 91 CA ASP A 7 10.160 -33.880 0.149 1.00 0.00 C ATOM 92 C ASP A 7 9.947 -33.510 -1.320 1.00 0.00 C ATOM 93 O ASP A 7 9.362 -34.257 -2.079 1.00 0.00 O ATOM 94 CB ASP A 7 9.697 -35.318 0.384 1.00 0.00 C ATOM 95 CG ASP A 7 10.185 -35.796 1.753 1.00 0.00 C ATOM 96 OD1 ASP A 7 11.246 -35.358 2.167 1.00 0.00 O ATOM 97 OD2 ASP A 7 9.490 -36.592 2.364 1.00 0.00 O ATOM 0 H ASP A 7 8.492 -32.637 0.634 1.00 0.00 H new ATOM 0 HA ASP A 7 11.219 -33.792 0.391 1.00 0.00 H new ATOM 0 HB2 ASP A 7 8.610 -35.373 0.334 1.00 0.00 H new ATOM 0 HB3 ASP A 7 10.085 -35.969 -0.400 1.00 0.00 H new ATOM 102 N TYR A 8 10.424 -32.367 -1.731 1.00 0.00 N ATOM 103 CA TYR A 8 10.255 -31.958 -3.154 1.00 0.00 C ATOM 104 C TYR A 8 11.627 -31.605 -3.740 1.00 0.00 C ATOM 105 O TYR A 8 12.606 -31.505 -3.029 1.00 0.00 O ATOM 106 CB TYR A 8 9.314 -30.747 -3.238 1.00 0.00 C ATOM 107 CG TYR A 8 10.065 -29.475 -2.908 1.00 0.00 C ATOM 108 CD1 TYR A 8 10.562 -29.271 -1.616 1.00 0.00 C ATOM 109 CD2 TYR A 8 10.265 -28.506 -3.898 1.00 0.00 C ATOM 110 CE1 TYR A 8 11.258 -28.095 -1.313 1.00 0.00 C ATOM 111 CE2 TYR A 8 10.962 -27.330 -3.594 1.00 0.00 C ATOM 112 CZ TYR A 8 11.459 -27.125 -2.302 1.00 0.00 C ATOM 113 OH TYR A 8 12.146 -25.966 -2.003 1.00 0.00 O ATOM 0 H TYR A 8 10.923 -31.699 -1.143 1.00 0.00 H new ATOM 0 HA TYR A 8 9.819 -32.778 -3.725 1.00 0.00 H new ATOM 0 HB2 TYR A 8 8.889 -30.677 -4.239 1.00 0.00 H new ATOM 0 HB3 TYR A 8 8.482 -30.876 -2.546 1.00 0.00 H new ATOM 0 HD1 TYR A 8 10.409 -30.020 -0.853 1.00 0.00 H new ATOM 0 HD2 TYR A 8 9.882 -28.665 -4.895 1.00 0.00 H new ATOM 0 HE1 TYR A 8 11.640 -27.936 -0.315 1.00 0.00 H new ATOM 0 HE2 TYR A 8 11.116 -26.581 -4.357 1.00 0.00 H new ATOM 0 HH TYR A 8 13.062 -26.189 -1.734 1.00 0.00 H new ATOM 123 N ARG A 9 11.708 -31.420 -5.030 1.00 0.00 N ATOM 124 CA ARG A 9 13.021 -31.080 -5.645 1.00 0.00 C ATOM 125 C ARG A 9 12.823 -30.042 -6.752 1.00 0.00 C ATOM 126 O ARG A 9 11.798 -30.000 -7.402 1.00 0.00 O ATOM 127 CB ARG A 9 13.647 -32.343 -6.239 1.00 0.00 C ATOM 128 CG ARG A 9 14.219 -33.206 -5.113 1.00 0.00 C ATOM 129 CD ARG A 9 15.073 -34.324 -5.711 1.00 0.00 C ATOM 130 NE ARG A 9 14.279 -35.064 -6.732 1.00 0.00 N ATOM 131 CZ ARG A 9 14.886 -35.757 -7.654 1.00 0.00 C ATOM 132 NH1 ARG A 9 15.864 -36.558 -7.330 1.00 0.00 N ATOM 133 NH2 ARG A 9 14.516 -35.650 -8.901 1.00 0.00 N ATOM 0 H ARG A 9 10.926 -31.489 -5.681 1.00 0.00 H new ATOM 0 HA ARG A 9 13.680 -30.669 -4.880 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.898 -32.905 -6.798 1.00 0.00 H new ATOM 0 HB3 ARG A 9 14.435 -32.075 -6.943 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.821 -32.594 -4.441 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.410 -33.630 -4.519 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.971 -33.906 -6.166 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.401 -35.005 -4.926 1.00 0.00 H new ATOM 0 HE ARG A 9 13.260 -35.028 -6.709 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.153 -36.642 -6.355 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.339 -37.100 -8.051 1.00 0.00 H new ATOM 0 HH21 ARG A 9 13.752 -35.024 -9.154 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.991 -36.192 -9.622 1.00 0.00 H new ATOM 147 N VAL A 10 13.800 -29.204 -6.969 1.00 0.00 N ATOM 148 CA VAL A 10 13.677 -28.167 -8.033 1.00 0.00 C ATOM 149 C VAL A 10 15.044 -27.939 -8.679 1.00 0.00 C ATOM 150 O VAL A 10 16.039 -27.760 -8.003 1.00 0.00 O ATOM 151 CB VAL A 10 13.181 -26.859 -7.414 1.00 0.00 C ATOM 152 CG1 VAL A 10 13.190 -25.758 -8.476 1.00 0.00 C ATOM 153 CG2 VAL A 10 11.757 -27.049 -6.887 1.00 0.00 C ATOM 0 H VAL A 10 14.680 -29.193 -6.454 1.00 0.00 H new ATOM 0 HA VAL A 10 12.968 -28.503 -8.790 1.00 0.00 H new ATOM 0 HB VAL A 10 13.836 -26.576 -6.590 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.837 -24.825 -8.036 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.205 -25.621 -8.850 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.535 -26.042 -9.300 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.405 -26.116 -6.446 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.100 -27.333 -7.709 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.751 -27.833 -6.130 1.00 0.00 H new ATOM 163 N LEU A 11 15.105 -27.944 -9.984 1.00 0.00 N ATOM 164 CA LEU A 11 16.410 -27.728 -10.671 1.00 0.00 C ATOM 165 C LEU A 11 16.303 -26.521 -11.606 1.00 0.00 C ATOM 166 O LEU A 11 15.244 -25.950 -11.775 1.00 0.00 O ATOM 167 CB LEU A 11 16.764 -28.975 -11.484 1.00 0.00 C ATOM 168 CG LEU A 11 17.945 -29.693 -10.829 1.00 0.00 C ATOM 169 CD1 LEU A 11 17.479 -30.371 -9.539 1.00 0.00 C ATOM 170 CD2 LEU A 11 18.495 -30.747 -11.792 1.00 0.00 C ATOM 0 H LEU A 11 14.307 -28.088 -10.603 1.00 0.00 H new ATOM 0 HA LEU A 11 17.187 -27.542 -9.930 1.00 0.00 H new ATOM 0 HB2 LEU A 11 15.904 -29.642 -11.539 1.00 0.00 H new ATOM 0 HB3 LEU A 11 17.017 -28.696 -12.507 1.00 0.00 H new ATOM 0 HG LEU A 11 18.727 -28.971 -10.595 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.321 -30.883 -9.072 1.00 0.00 H new ATOM 0 HD12 LEU A 11 17.086 -29.619 -8.854 1.00 0.00 H new ATOM 0 HD13 LEU A 11 16.697 -31.095 -9.770 1.00 0.00 H new ATOM 0 HD21 LEU A 11 19.337 -31.260 -11.327 1.00 0.00 H new ATOM 0 HD22 LEU A 11 17.713 -31.470 -12.025 1.00 0.00 H new ATOM 0 HD23 LEU A 11 18.827 -30.263 -12.710 1.00 0.00 H new ATOM 182 N PRO A 12 17.427 -26.130 -12.226 1.00 0.00 N ATOM 183 CA PRO A 12 17.467 -24.989 -13.153 1.00 0.00 C ATOM 184 C PRO A 12 16.686 -25.274 -14.438 1.00 0.00 C ATOM 185 O PRO A 12 16.248 -24.372 -15.124 1.00 0.00 O ATOM 186 CB PRO A 12 18.957 -24.839 -13.468 1.00 0.00 C ATOM 187 CG PRO A 12 19.525 -26.196 -13.227 1.00 0.00 C ATOM 188 CD PRO A 12 18.748 -26.767 -12.077 1.00 0.00 C ATOM 0 HA PRO A 12 17.016 -24.095 -12.723 1.00 0.00 H new ATOM 0 HB2 PRO A 12 19.115 -24.519 -14.498 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.426 -24.092 -12.827 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.429 -26.823 -14.113 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.588 -26.139 -12.991 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.682 -27.854 -12.134 1.00 0.00 H new ATOM 0 HD3 PRO A 12 19.208 -26.525 -11.119 1.00 0.00 H new ATOM 196 N ARG A 13 16.504 -26.525 -14.765 1.00 0.00 N ATOM 197 CA ARG A 13 15.748 -26.871 -16.000 1.00 0.00 C ATOM 198 C ARG A 13 14.373 -27.419 -15.610 1.00 0.00 C ATOM 199 O ARG A 13 13.403 -27.255 -16.323 1.00 0.00 O ATOM 200 CB ARG A 13 16.519 -27.931 -16.794 1.00 0.00 C ATOM 201 CG ARG A 13 15.596 -28.568 -17.837 1.00 0.00 C ATOM 202 CD ARG A 13 16.358 -29.648 -18.606 1.00 0.00 C ATOM 203 NE ARG A 13 16.144 -30.969 -17.952 1.00 0.00 N ATOM 204 CZ ARG A 13 17.004 -31.933 -18.133 1.00 0.00 C ATOM 205 NH1 ARG A 13 17.800 -32.289 -17.162 1.00 0.00 N ATOM 206 NH2 ARG A 13 17.068 -32.542 -19.286 1.00 0.00 N ATOM 0 H ARG A 13 16.847 -27.322 -14.229 1.00 0.00 H new ATOM 0 HA ARG A 13 15.625 -25.981 -16.617 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.380 -27.477 -17.285 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.904 -28.696 -16.119 1.00 0.00 H new ATOM 0 HG2 ARG A 13 14.724 -29.002 -17.348 1.00 0.00 H new ATOM 0 HG3 ARG A 13 15.229 -27.807 -18.526 1.00 0.00 H new ATOM 0 HD2 ARG A 13 16.016 -29.683 -19.640 1.00 0.00 H new ATOM 0 HD3 ARG A 13 17.421 -29.410 -18.630 1.00 0.00 H new ATOM 0 HE ARG A 13 15.325 -31.120 -17.363 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.750 -31.813 -16.261 1.00 0.00 H new ATOM 0 HH12 ARG A 13 18.472 -33.043 -17.304 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.446 -32.264 -20.045 1.00 0.00 H new ATOM 0 HH22 ARG A 13 17.740 -33.296 -19.428 1.00 0.00 H new ATOM 220 N ILE A 14 14.284 -28.070 -14.485 1.00 0.00 N ATOM 221 CA ILE A 14 12.974 -28.630 -14.050 1.00 0.00 C ATOM 222 C ILE A 14 12.157 -27.539 -13.356 1.00 0.00 C ATOM 223 O ILE A 14 10.960 -27.436 -13.539 1.00 0.00 O ATOM 224 CB ILE A 14 13.215 -29.788 -13.079 1.00 0.00 C ATOM 225 CG1 ILE A 14 14.039 -30.873 -13.775 1.00 0.00 C ATOM 226 CG2 ILE A 14 11.871 -30.373 -12.641 1.00 0.00 C ATOM 227 CD1 ILE A 14 13.279 -31.380 -15.001 1.00 0.00 C ATOM 0 H ILE A 14 15.062 -28.239 -13.847 1.00 0.00 H new ATOM 0 HA ILE A 14 12.425 -28.993 -14.919 1.00 0.00 H new ATOM 0 HB ILE A 14 13.756 -29.424 -12.206 1.00 0.00 H new ATOM 0 HG12 ILE A 14 15.008 -30.474 -14.074 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.232 -31.696 -13.087 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.041 -31.198 -11.949 1.00 0.00 H new ATOM 0 HG22 ILE A 14 11.282 -29.601 -12.147 1.00 0.00 H new ATOM 0 HG23 ILE A 14 11.331 -30.738 -13.515 1.00 0.00 H new ATOM 0 HD11 ILE A 14 13.865 -32.153 -15.498 1.00 0.00 H new ATOM 0 HD12 ILE A 14 12.321 -31.795 -14.689 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.109 -30.554 -15.691 1.00 0.00 H new ATOM 239 N GLY A 15 12.794 -26.723 -12.562 1.00 0.00 N ATOM 240 CA GLY A 15 12.053 -25.636 -11.858 1.00 0.00 C ATOM 241 C GLY A 15 11.144 -26.245 -10.789 1.00 0.00 C ATOM 242 O GLY A 15 11.476 -27.236 -10.167 1.00 0.00 O ATOM 0 H GLY A 15 13.795 -26.761 -12.370 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.756 -24.941 -11.399 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.460 -25.065 -12.572 1.00 0.00 H new ATOM 246 N TYR A 16 10.000 -25.657 -10.567 1.00 0.00 N ATOM 247 CA TYR A 16 9.070 -26.200 -9.536 1.00 0.00 C ATOM 248 C TYR A 16 7.878 -26.869 -10.226 1.00 0.00 C ATOM 249 O TYR A 16 7.545 -26.557 -11.353 1.00 0.00 O ATOM 250 CB TYR A 16 8.569 -25.055 -8.652 1.00 0.00 C ATOM 251 CG TYR A 16 8.279 -25.577 -7.264 1.00 0.00 C ATOM 252 CD1 TYR A 16 7.132 -26.346 -7.031 1.00 0.00 C ATOM 253 CD2 TYR A 16 9.155 -25.289 -6.210 1.00 0.00 C ATOM 254 CE1 TYR A 16 6.862 -26.827 -5.744 1.00 0.00 C ATOM 255 CE2 TYR A 16 8.883 -25.769 -4.924 1.00 0.00 C ATOM 256 CZ TYR A 16 7.737 -26.537 -4.690 1.00 0.00 C ATOM 257 OH TYR A 16 7.470 -27.011 -3.422 1.00 0.00 O ATOM 0 H TYR A 16 9.669 -24.824 -11.055 1.00 0.00 H new ATOM 0 HA TYR A 16 9.593 -26.933 -8.923 1.00 0.00 H new ATOM 0 HB2 TYR A 16 9.317 -24.264 -8.605 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.669 -24.617 -9.082 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.456 -26.568 -7.844 1.00 0.00 H new ATOM 0 HD2 TYR A 16 10.040 -24.697 -6.390 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.979 -27.422 -5.564 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.558 -25.546 -4.111 1.00 0.00 H new ATOM 0 HH TYR A 16 7.966 -26.482 -2.764 1.00 0.00 H new ATOM 267 N LEU A 17 7.233 -27.785 -9.557 1.00 0.00 N ATOM 268 CA LEU A 17 6.064 -28.474 -10.172 1.00 0.00 C ATOM 269 C LEU A 17 4.805 -28.171 -9.355 1.00 0.00 C ATOM 270 O LEU A 17 4.735 -28.458 -8.177 1.00 0.00 O ATOM 271 CB LEU A 17 6.312 -29.983 -10.187 1.00 0.00 C ATOM 272 CG LEU A 17 5.159 -30.684 -10.909 1.00 0.00 C ATOM 273 CD1 LEU A 17 5.250 -30.403 -12.411 1.00 0.00 C ATOM 274 CD2 LEU A 17 5.247 -32.192 -10.667 1.00 0.00 C ATOM 0 H LEU A 17 7.465 -28.086 -8.611 1.00 0.00 H new ATOM 0 HA LEU A 17 5.928 -28.118 -11.193 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.255 -30.202 -10.688 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.398 -30.358 -9.167 1.00 0.00 H new ATOM 0 HG LEU A 17 4.210 -30.309 -10.526 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.429 -30.902 -12.925 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.187 -29.329 -12.585 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.199 -30.777 -12.794 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.426 -32.692 -11.181 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.196 -32.567 -11.049 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.182 -32.393 -9.598 1.00 0.00 H new ATOM 286 N CYS A 18 3.812 -27.591 -9.971 1.00 0.00 N ATOM 287 CA CYS A 18 2.559 -27.267 -9.232 1.00 0.00 C ATOM 288 C CYS A 18 1.354 -27.737 -10.047 1.00 0.00 C ATOM 289 O CYS A 18 1.428 -27.894 -11.250 1.00 0.00 O ATOM 290 CB CYS A 18 2.474 -25.756 -9.015 1.00 0.00 C ATOM 291 SG CYS A 18 3.905 -25.214 -8.048 1.00 0.00 S ATOM 0 H CYS A 18 3.814 -27.327 -10.956 1.00 0.00 H new ATOM 0 HA CYS A 18 2.562 -27.772 -8.266 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.451 -25.239 -9.974 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.551 -25.502 -8.494 1.00 0.00 H new ATOM 296 N PRO A 19 0.218 -27.965 -9.372 1.00 0.00 N ATOM 297 CA PRO A 19 -1.013 -28.418 -10.025 1.00 0.00 C ATOM 298 C PRO A 19 -1.641 -27.310 -10.872 1.00 0.00 C ATOM 299 O PRO A 19 -1.291 -26.153 -10.756 1.00 0.00 O ATOM 300 CB PRO A 19 -1.934 -28.765 -8.857 1.00 0.00 C ATOM 301 CG PRO A 19 -1.433 -27.935 -7.722 1.00 0.00 C ATOM 302 CD PRO A 19 0.051 -27.794 -7.920 1.00 0.00 C ATOM 0 HA PRO A 19 -0.834 -29.252 -10.704 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.973 -28.533 -9.089 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.890 -29.828 -8.620 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.918 -26.959 -7.712 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.654 -28.411 -6.766 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.410 -26.821 -7.586 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.605 -28.548 -7.360 1.00 0.00 H new ATOM 310 N LYS A 20 -2.566 -27.655 -11.722 1.00 0.00 N ATOM 311 CA LYS A 20 -3.213 -26.618 -12.572 1.00 0.00 C ATOM 312 C LYS A 20 -4.420 -26.040 -11.834 1.00 0.00 C ATOM 313 O LYS A 20 -4.960 -25.018 -12.210 1.00 0.00 O ATOM 314 CB LYS A 20 -3.668 -27.248 -13.890 1.00 0.00 C ATOM 315 CG LYS A 20 -2.448 -27.763 -14.657 1.00 0.00 C ATOM 316 CD LYS A 20 -2.894 -28.312 -16.014 1.00 0.00 C ATOM 317 CE LYS A 20 -1.701 -28.955 -16.722 1.00 0.00 C ATOM 318 NZ LYS A 20 -1.854 -28.796 -18.196 1.00 0.00 N ATOM 0 H LYS A 20 -2.902 -28.608 -11.865 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.500 -25.821 -12.782 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.360 -28.067 -13.694 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.205 -26.514 -14.490 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.727 -26.958 -14.798 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.947 -28.543 -14.084 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.688 -29.046 -15.878 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.304 -27.509 -16.626 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.773 -28.490 -16.390 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.638 -30.012 -16.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.043 -29.233 -18.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.732 -29.259 -18.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.894 -27.784 -18.434 1.00 0.00 H new ATOM 332 N ASP A 21 -4.847 -26.683 -10.783 1.00 0.00 N ATOM 333 CA ASP A 21 -6.015 -26.166 -10.018 1.00 0.00 C ATOM 334 C ASP A 21 -5.618 -24.866 -9.316 1.00 0.00 C ATOM 335 O ASP A 21 -4.598 -24.792 -8.659 1.00 0.00 O ATOM 336 CB ASP A 21 -6.442 -27.203 -8.978 1.00 0.00 C ATOM 337 CG ASP A 21 -6.849 -28.495 -9.686 1.00 0.00 C ATOM 338 OD1 ASP A 21 -7.029 -28.456 -10.892 1.00 0.00 O ATOM 339 OD2 ASP A 21 -6.975 -29.503 -9.009 1.00 0.00 O ATOM 0 H ASP A 21 -4.437 -27.544 -10.421 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.846 -25.975 -10.697 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.623 -27.398 -8.285 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.275 -26.821 -8.388 1.00 0.00 H new ATOM 344 N LEU A 22 -6.412 -23.841 -9.452 1.00 0.00 N ATOM 345 CA LEU A 22 -6.073 -22.547 -8.797 1.00 0.00 C ATOM 346 C LEU A 22 -6.665 -22.515 -7.386 1.00 0.00 C ATOM 347 O LEU A 22 -7.858 -22.654 -7.201 1.00 0.00 O ATOM 348 CB LEU A 22 -6.652 -21.395 -9.622 1.00 0.00 C ATOM 349 CG LEU A 22 -6.115 -20.060 -9.101 1.00 0.00 C ATOM 350 CD1 LEU A 22 -6.765 -19.736 -7.755 1.00 0.00 C ATOM 351 CD2 LEU A 22 -4.599 -20.152 -8.924 1.00 0.00 C ATOM 0 H LEU A 22 -7.280 -23.843 -9.988 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.990 -22.443 -8.735 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.387 -21.519 -10.672 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.740 -21.406 -9.565 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.351 -19.273 -9.817 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.382 -18.785 -7.385 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.846 -19.668 -7.880 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.532 -20.524 -7.039 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.218 -19.201 -8.553 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.363 -20.941 -8.210 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.134 -20.380 -9.883 1.00 0.00 H new ATOM 363 N LYS A 23 -5.841 -22.327 -6.391 1.00 0.00 N ATOM 364 CA LYS A 23 -6.363 -22.279 -4.994 1.00 0.00 C ATOM 365 C LYS A 23 -5.602 -21.211 -4.207 1.00 0.00 C ATOM 366 O LYS A 23 -4.463 -21.400 -3.829 1.00 0.00 O ATOM 367 CB LYS A 23 -6.182 -23.641 -4.311 1.00 0.00 C ATOM 368 CG LYS A 23 -6.087 -24.749 -5.364 1.00 0.00 C ATOM 369 CD LYS A 23 -5.738 -26.073 -4.679 1.00 0.00 C ATOM 370 CE LYS A 23 -6.840 -27.098 -4.957 1.00 0.00 C ATOM 371 NZ LYS A 23 -7.998 -26.835 -4.057 1.00 0.00 N ATOM 0 H LYS A 23 -4.833 -22.205 -6.484 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.425 -22.035 -5.020 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.280 -23.632 -3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.020 -23.835 -3.642 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.033 -24.841 -5.897 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.327 -24.498 -6.104 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.781 -26.444 -5.046 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.630 -25.922 -3.605 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.154 -27.037 -5.999 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.462 -28.108 -4.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.748 -27.531 -4.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.692 -26.914 -3.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.363 -25.877 -4.232 1.00 0.00 H new ATOM 385 N PRO A 24 -6.255 -20.068 -3.953 1.00 0.00 N ATOM 386 CA PRO A 24 -5.654 -18.952 -3.206 1.00 0.00 C ATOM 387 C PRO A 24 -5.381 -19.323 -1.748 1.00 0.00 C ATOM 388 O PRO A 24 -6.276 -19.689 -1.016 1.00 0.00 O ATOM 389 CB PRO A 24 -6.721 -17.859 -3.281 1.00 0.00 C ATOM 390 CG PRO A 24 -7.994 -18.599 -3.502 1.00 0.00 C ATOM 391 CD PRO A 24 -7.634 -19.770 -4.370 1.00 0.00 C ATOM 0 HA PRO A 24 -4.690 -18.654 -3.618 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.756 -17.274 -2.362 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.520 -17.162 -4.095 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.425 -18.929 -2.557 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.737 -17.965 -3.987 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.300 -20.617 -4.204 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.692 -19.522 -5.430 1.00 0.00 H new ATOM 399 N VAL A 25 -4.152 -19.237 -1.322 1.00 0.00 N ATOM 400 CA VAL A 25 -3.833 -19.589 0.092 1.00 0.00 C ATOM 401 C VAL A 25 -3.296 -18.362 0.826 1.00 0.00 C ATOM 402 O VAL A 25 -2.735 -17.463 0.231 1.00 0.00 O ATOM 403 CB VAL A 25 -2.758 -20.677 0.127 1.00 0.00 C ATOM 404 CG1 VAL A 25 -3.210 -21.890 -0.685 1.00 0.00 C ATOM 405 CG2 VAL A 25 -1.461 -20.123 -0.466 1.00 0.00 C ATOM 0 H VAL A 25 -3.357 -18.940 -1.888 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.744 -19.945 0.574 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.593 -20.983 1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.437 -22.658 -0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.133 -22.287 -0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.383 -21.592 -1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.692 -20.895 -0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.635 -19.814 -1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.131 -19.265 0.119 1.00 0.00 H new ATOM 415 N CYS A 26 -3.439 -18.334 2.122 1.00 0.00 N ATOM 416 CA CYS A 26 -2.910 -17.185 2.904 1.00 0.00 C ATOM 417 C CYS A 26 -1.546 -17.583 3.470 1.00 0.00 C ATOM 418 O CYS A 26 -1.396 -18.638 4.045 1.00 0.00 O ATOM 419 CB CYS A 26 -3.865 -16.853 4.056 1.00 0.00 C ATOM 420 SG CYS A 26 -3.083 -15.647 5.157 1.00 0.00 S ATOM 0 H CYS A 26 -3.900 -19.058 2.673 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.817 -16.308 2.264 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.800 -16.452 3.664 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.114 -17.759 4.609 1.00 0.00 H new ATOM 425 N GLY A 27 -0.547 -16.762 3.300 1.00 0.00 N ATOM 426 CA GLY A 27 0.802 -17.121 3.826 1.00 0.00 C ATOM 427 C GLY A 27 0.942 -16.629 5.268 1.00 0.00 C ATOM 428 O GLY A 27 0.511 -15.546 5.610 1.00 0.00 O ATOM 0 H GLY A 27 -0.604 -15.863 2.822 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.943 -18.201 3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.577 -16.674 3.203 1.00 0.00 H new ATOM 432 N ASP A 28 1.543 -17.418 6.116 1.00 0.00 N ATOM 433 CA ASP A 28 1.713 -16.998 7.537 1.00 0.00 C ATOM 434 C ASP A 28 2.660 -15.798 7.608 1.00 0.00 C ATOM 435 O ASP A 28 2.808 -15.172 8.639 1.00 0.00 O ATOM 436 CB ASP A 28 2.299 -18.156 8.347 1.00 0.00 C ATOM 437 CG ASP A 28 3.649 -18.560 7.755 1.00 0.00 C ATOM 438 OD1 ASP A 28 4.146 -17.832 6.911 1.00 0.00 O ATOM 439 OD2 ASP A 28 4.161 -19.592 8.153 1.00 0.00 O ATOM 0 H ASP A 28 1.924 -18.336 5.887 1.00 0.00 H new ATOM 0 HA ASP A 28 0.743 -16.720 7.949 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.421 -17.860 9.389 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.616 -19.005 8.335 1.00 0.00 H new ATOM 444 N ASP A 29 3.300 -15.471 6.519 1.00 0.00 N ATOM 445 CA ASP A 29 4.233 -14.309 6.524 1.00 0.00 C ATOM 446 C ASP A 29 3.444 -13.025 6.263 1.00 0.00 C ATOM 447 O ASP A 29 4.007 -11.983 5.993 1.00 0.00 O ATOM 448 CB ASP A 29 5.283 -14.497 5.427 1.00 0.00 C ATOM 449 CG ASP A 29 4.599 -14.482 4.059 1.00 0.00 C ATOM 450 OD1 ASP A 29 3.390 -14.322 4.025 1.00 0.00 O ATOM 451 OD2 ASP A 29 5.296 -14.631 3.069 1.00 0.00 O ATOM 0 H ASP A 29 3.217 -15.958 5.627 1.00 0.00 H new ATOM 0 HA ASP A 29 4.728 -14.240 7.492 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.028 -13.703 5.482 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.811 -15.440 5.571 1.00 0.00 H new ATOM 456 N GLY A 30 2.142 -13.091 6.343 1.00 0.00 N ATOM 457 CA GLY A 30 1.317 -11.877 6.099 1.00 0.00 C ATOM 458 C GLY A 30 1.166 -11.656 4.593 1.00 0.00 C ATOM 459 O GLY A 30 0.884 -10.563 4.141 1.00 0.00 O ATOM 0 H GLY A 30 1.615 -13.935 6.567 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.336 -11.992 6.560 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.786 -11.007 6.560 1.00 0.00 H new ATOM 463 N GLN A 31 1.351 -12.685 3.811 1.00 0.00 N ATOM 464 CA GLN A 31 1.219 -12.533 2.335 1.00 0.00 C ATOM 465 C GLN A 31 0.245 -13.584 1.802 1.00 0.00 C ATOM 466 O GLN A 31 -0.136 -14.500 2.502 1.00 0.00 O ATOM 467 CB GLN A 31 2.587 -12.729 1.679 1.00 0.00 C ATOM 468 CG GLN A 31 3.480 -11.527 1.993 1.00 0.00 C ATOM 469 CD GLN A 31 4.912 -11.827 1.548 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.218 -12.934 1.153 1.00 0.00 O ATOM 471 NE2 GLN A 31 5.809 -10.881 1.597 1.00 0.00 N ATOM 0 H GLN A 31 1.588 -13.624 4.131 1.00 0.00 H new ATOM 0 HA GLN A 31 0.843 -11.536 2.103 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.050 -13.645 2.045 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.473 -12.839 0.601 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.107 -10.640 1.482 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.457 -11.312 3.061 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.552 -9.951 1.929 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.767 -11.071 1.304 1.00 0.00 H new ATOM 480 N THR A 32 -0.160 -13.461 0.568 1.00 0.00 N ATOM 481 CA THR A 32 -1.109 -14.458 -0.006 1.00 0.00 C ATOM 482 C THR A 32 -0.544 -15.005 -1.316 1.00 0.00 C ATOM 483 O THR A 32 0.017 -14.279 -2.113 1.00 0.00 O ATOM 484 CB THR A 32 -2.457 -13.787 -0.273 1.00 0.00 C ATOM 485 OG1 THR A 32 -2.884 -13.102 0.896 1.00 0.00 O ATOM 486 CG2 THR A 32 -3.488 -14.851 -0.650 1.00 0.00 C ATOM 0 H THR A 32 0.124 -12.715 -0.067 1.00 0.00 H new ATOM 0 HA THR A 32 -1.245 -15.276 0.701 1.00 0.00 H new ATOM 0 HB THR A 32 -2.355 -13.075 -1.092 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.747 -12.670 0.725 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.450 -14.374 -0.841 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.159 -15.375 -1.547 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.592 -15.563 0.169 1.00 0.00 H new ATOM 494 N TYR A 33 -0.690 -16.279 -1.546 1.00 0.00 N ATOM 495 CA TYR A 33 -0.164 -16.874 -2.805 1.00 0.00 C ATOM 496 C TYR A 33 -1.330 -17.426 -3.626 1.00 0.00 C ATOM 497 O TYR A 33 -2.152 -18.173 -3.132 1.00 0.00 O ATOM 498 CB TYR A 33 0.812 -18.001 -2.462 1.00 0.00 C ATOM 499 CG TYR A 33 1.812 -17.502 -1.444 1.00 0.00 C ATOM 500 CD1 TYR A 33 2.885 -16.698 -1.848 1.00 0.00 C ATOM 501 CD2 TYR A 33 1.662 -17.839 -0.093 1.00 0.00 C ATOM 502 CE1 TYR A 33 3.807 -16.233 -0.903 1.00 0.00 C ATOM 503 CE2 TYR A 33 2.585 -17.374 0.852 1.00 0.00 C ATOM 504 CZ TYR A 33 3.658 -16.571 0.447 1.00 0.00 C ATOM 505 OH TYR A 33 4.566 -16.113 1.379 1.00 0.00 O ATOM 0 H TYR A 33 -1.151 -16.935 -0.916 1.00 0.00 H new ATOM 0 HA TYR A 33 0.357 -16.113 -3.386 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.270 -18.859 -2.066 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.328 -18.337 -3.361 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.001 -16.437 -2.889 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.834 -18.458 0.220 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.634 -15.613 -1.216 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.469 -17.635 1.894 1.00 0.00 H new ATOM 0 HH TYR A 33 4.332 -15.199 1.642 1.00 0.00 H new ATOM 515 N ASN A 34 -1.415 -17.055 -4.873 1.00 0.00 N ATOM 516 CA ASN A 34 -2.534 -17.546 -5.723 1.00 0.00 C ATOM 517 C ASN A 34 -2.639 -19.071 -5.626 1.00 0.00 C ATOM 518 O ASN A 34 -3.483 -19.599 -4.934 1.00 0.00 O ATOM 519 CB ASN A 34 -2.289 -17.128 -7.176 1.00 0.00 C ATOM 520 CG ASN A 34 -3.570 -17.327 -7.987 1.00 0.00 C ATOM 521 OD1 ASN A 34 -4.560 -17.809 -7.473 1.00 0.00 O ATOM 522 ND2 ASN A 34 -3.594 -16.971 -9.242 1.00 0.00 N ATOM 0 H ASN A 34 -0.757 -16.432 -5.340 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.470 -17.110 -5.374 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.978 -16.084 -7.218 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -1.479 -17.719 -7.604 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.444 -17.097 -9.792 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.763 -16.566 -9.673 1.00 0.00 H new ATOM 529 N ASN A 35 -1.797 -19.786 -6.312 1.00 0.00 N ATOM 530 CA ASN A 35 -1.866 -21.273 -6.250 1.00 0.00 C ATOM 531 C ASN A 35 -1.164 -21.764 -4.982 1.00 0.00 C ATOM 532 O ASN A 35 -0.224 -21.154 -4.510 1.00 0.00 O ATOM 533 CB ASN A 35 -1.190 -21.854 -7.496 1.00 0.00 C ATOM 534 CG ASN A 35 -0.882 -23.339 -7.293 1.00 0.00 C ATOM 535 OD1 ASN A 35 -0.077 -23.696 -6.458 1.00 0.00 O ATOM 536 ND2 ASN A 35 -1.494 -24.223 -8.036 1.00 0.00 N ATOM 0 H ASN A 35 -1.064 -19.408 -6.913 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.905 -21.600 -6.221 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.839 -21.726 -8.362 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.269 -21.310 -7.704 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.296 -25.216 -7.915 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.170 -23.920 -8.737 1.00 0.00 H new ATOM 543 N PRO A 36 -1.638 -22.886 -4.414 1.00 0.00 N ATOM 544 CA PRO A 36 -1.062 -23.459 -3.188 1.00 0.00 C ATOM 545 C PRO A 36 0.387 -23.900 -3.395 1.00 0.00 C ATOM 546 O PRO A 36 1.275 -23.492 -2.672 1.00 0.00 O ATOM 547 CB PRO A 36 -1.961 -24.664 -2.902 1.00 0.00 C ATOM 548 CG PRO A 36 -2.542 -25.009 -4.230 1.00 0.00 C ATOM 549 CD PRO A 36 -2.762 -23.693 -4.918 1.00 0.00 C ATOM 0 HA PRO A 36 -1.029 -22.740 -2.369 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.392 -25.496 -2.488 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.739 -24.418 -2.179 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.866 -25.644 -4.802 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.478 -25.557 -4.120 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.738 -23.792 -6.003 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.726 -23.255 -4.659 1.00 0.00 H new ATOM 557 N CYS A 37 0.645 -24.712 -4.383 1.00 0.00 N ATOM 558 CA CYS A 37 2.047 -25.143 -4.626 1.00 0.00 C ATOM 559 C CYS A 37 2.880 -23.900 -4.936 1.00 0.00 C ATOM 560 O CYS A 37 4.065 -23.849 -4.673 1.00 0.00 O ATOM 561 CB CYS A 37 2.089 -26.109 -5.811 1.00 0.00 C ATOM 562 SG CYS A 37 3.800 -26.324 -6.365 1.00 0.00 S ATOM 0 H CYS A 37 -0.049 -25.092 -5.027 1.00 0.00 H new ATOM 0 HA CYS A 37 2.446 -25.651 -3.748 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.667 -27.072 -5.523 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.478 -25.724 -6.628 1.00 0.00 H new ATOM 567 N MET A 38 2.260 -22.892 -5.488 1.00 0.00 N ATOM 568 CA MET A 38 3.003 -21.645 -5.811 1.00 0.00 C ATOM 569 C MET A 38 3.520 -21.026 -4.512 1.00 0.00 C ATOM 570 O MET A 38 4.430 -20.221 -4.513 1.00 0.00 O ATOM 571 CB MET A 38 2.069 -20.658 -6.518 1.00 0.00 C ATOM 572 CG MET A 38 2.252 -20.778 -8.032 1.00 0.00 C ATOM 573 SD MET A 38 1.216 -19.550 -8.866 1.00 0.00 S ATOM 574 CE MET A 38 2.442 -18.220 -8.924 1.00 0.00 C ATOM 0 H MET A 38 1.269 -22.881 -5.729 1.00 0.00 H new ATOM 0 HA MET A 38 3.841 -21.874 -6.469 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.033 -20.864 -6.249 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.286 -19.640 -6.194 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.299 -20.625 -8.296 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.983 -21.781 -8.363 1.00 0.00 H new ATOM 0 HE1 MET A 38 2.008 -17.346 -9.409 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.745 -17.960 -7.910 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.313 -18.552 -9.489 1.00 0.00 H new ATOM 584 N LEU A 39 2.947 -21.402 -3.399 1.00 0.00 N ATOM 585 CA LEU A 39 3.412 -20.844 -2.100 1.00 0.00 C ATOM 586 C LEU A 39 4.829 -21.349 -1.826 1.00 0.00 C ATOM 587 O LEU A 39 5.727 -20.582 -1.546 1.00 0.00 O ATOM 588 CB LEU A 39 2.475 -21.298 -0.977 1.00 0.00 C ATOM 589 CG LEU A 39 2.952 -20.714 0.355 1.00 0.00 C ATOM 590 CD1 LEU A 39 1.742 -20.369 1.228 1.00 0.00 C ATOM 591 CD2 LEU A 39 3.814 -21.742 1.080 1.00 0.00 C ATOM 0 H LEU A 39 2.179 -22.070 -3.336 1.00 0.00 H new ATOM 0 HA LEU A 39 3.409 -19.755 -2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.456 -20.971 -1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.456 -22.386 -0.923 1.00 0.00 H new ATOM 0 HG LEU A 39 3.534 -19.813 0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.084 -19.953 2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.120 -19.637 0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.160 -21.271 1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.154 -21.327 2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.228 -22.642 1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.677 -21.993 0.463 1.00 0.00 H new ATOM 603 N CYS A 40 5.040 -22.635 -1.922 1.00 0.00 N ATOM 604 CA CYS A 40 6.405 -23.181 -1.683 1.00 0.00 C ATOM 605 C CYS A 40 7.393 -22.423 -2.567 1.00 0.00 C ATOM 606 O CYS A 40 8.427 -21.974 -2.118 1.00 0.00 O ATOM 607 CB CYS A 40 6.437 -24.667 -2.034 1.00 0.00 C ATOM 608 SG CYS A 40 7.843 -25.441 -1.204 1.00 0.00 S ATOM 0 H CYS A 40 4.328 -23.328 -2.155 1.00 0.00 H new ATOM 0 HA CYS A 40 6.674 -23.062 -0.633 1.00 0.00 H new ATOM 0 HB2 CYS A 40 5.508 -25.146 -1.725 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.519 -24.797 -3.113 1.00 0.00 H new ATOM 613 N HIS A 41 7.079 -22.258 -3.821 1.00 0.00 N ATOM 614 CA HIS A 41 8.000 -21.508 -4.716 1.00 0.00 C ATOM 615 C HIS A 41 8.388 -20.208 -4.019 1.00 0.00 C ATOM 616 O HIS A 41 9.548 -19.859 -3.926 1.00 0.00 O ATOM 617 CB HIS A 41 7.287 -21.184 -6.026 1.00 0.00 C ATOM 618 CG HIS A 41 8.286 -21.161 -7.150 1.00 0.00 C ATOM 619 ND1 HIS A 41 9.008 -22.283 -7.519 1.00 0.00 N ATOM 620 CD2 HIS A 41 8.698 -20.157 -7.992 1.00 0.00 C ATOM 621 CE1 HIS A 41 9.811 -21.932 -8.539 1.00 0.00 C ATOM 622 NE2 HIS A 41 9.662 -20.647 -8.867 1.00 0.00 N ATOM 0 H HIS A 41 6.229 -22.608 -4.262 1.00 0.00 H new ATOM 0 HA HIS A 41 8.887 -22.105 -4.930 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.516 -21.928 -6.226 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.787 -20.219 -5.951 1.00 0.00 H new ATOM 0 HD1 HIS A 41 8.943 -23.208 -7.094 1.00 0.00 H new ATOM 0 HD2 HIS A 41 8.330 -19.142 -7.977 1.00 0.00 H new ATOM 0 HE1 HIS A 41 10.494 -22.608 -9.033 1.00 0.00 H new ATOM 630 N GLU A 42 7.418 -19.493 -3.522 1.00 0.00 N ATOM 631 CA GLU A 42 7.716 -18.220 -2.821 1.00 0.00 C ATOM 632 C GLU A 42 8.673 -18.504 -1.663 1.00 0.00 C ATOM 633 O GLU A 42 9.346 -17.621 -1.170 1.00 0.00 O ATOM 634 CB GLU A 42 6.415 -17.620 -2.290 1.00 0.00 C ATOM 635 CG GLU A 42 5.835 -16.669 -3.340 1.00 0.00 C ATOM 636 CD GLU A 42 6.865 -15.587 -3.670 1.00 0.00 C ATOM 637 OE1 GLU A 42 7.420 -15.022 -2.743 1.00 0.00 O ATOM 638 OE2 GLU A 42 7.081 -15.343 -4.847 1.00 0.00 O ATOM 0 H GLU A 42 6.429 -19.739 -3.573 1.00 0.00 H new ATOM 0 HA GLU A 42 8.179 -17.512 -3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.701 -18.412 -2.065 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.601 -17.084 -1.359 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.571 -17.222 -4.241 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.919 -16.212 -2.966 1.00 0.00 H new ATOM 645 N ASN A 43 8.751 -19.737 -1.236 1.00 0.00 N ATOM 646 CA ASN A 43 9.683 -20.075 -0.121 1.00 0.00 C ATOM 647 C ASN A 43 11.100 -20.178 -0.689 1.00 0.00 C ATOM 648 O ASN A 43 12.071 -19.859 -0.031 1.00 0.00 O ATOM 649 CB ASN A 43 9.298 -21.418 0.513 1.00 0.00 C ATOM 650 CG ASN A 43 7.946 -21.306 1.228 1.00 0.00 C ATOM 651 OD1 ASN A 43 7.864 -21.515 2.420 1.00 0.00 O ATOM 652 ND2 ASN A 43 6.877 -20.993 0.550 1.00 0.00 N ATOM 0 H ASN A 43 8.213 -20.520 -1.608 1.00 0.00 H new ATOM 0 HA ASN A 43 9.628 -19.299 0.643 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.247 -22.189 -0.256 1.00 0.00 H new ATOM 0 HB3 ASN A 43 10.067 -21.726 1.222 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.975 -20.925 1.022 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.942 -20.817 -0.452 1.00 0.00 H new ATOM 659 N LEU A 44 11.222 -20.623 -1.911 1.00 0.00 N ATOM 660 CA LEU A 44 12.571 -20.749 -2.533 1.00 0.00 C ATOM 661 C LEU A 44 13.135 -19.355 -2.820 1.00 0.00 C ATOM 662 O LEU A 44 14.316 -19.113 -2.676 1.00 0.00 O ATOM 663 CB LEU A 44 12.454 -21.536 -3.841 1.00 0.00 C ATOM 664 CG LEU A 44 12.016 -22.970 -3.535 1.00 0.00 C ATOM 665 CD1 LEU A 44 11.904 -23.760 -4.841 1.00 0.00 C ATOM 666 CD2 LEU A 44 13.052 -23.635 -2.626 1.00 0.00 C ATOM 0 H LEU A 44 10.443 -20.905 -2.506 1.00 0.00 H new ATOM 0 HA LEU A 44 13.240 -21.274 -1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.732 -21.057 -4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 44 13.411 -21.540 -4.363 1.00 0.00 H new ATOM 0 HG LEU A 44 11.047 -22.955 -3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.592 -24.781 -4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.168 -23.287 -5.491 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.872 -23.775 -5.341 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.742 -24.657 -2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 44 14.020 -23.649 -3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.134 -23.073 -1.695 1.00 0.00 H new ATOM 678 N ILE A 45 12.300 -18.436 -3.221 1.00 0.00 N ATOM 679 CA ILE A 45 12.793 -17.060 -3.511 1.00 0.00 C ATOM 680 C ILE A 45 13.018 -16.317 -2.193 1.00 0.00 C ATOM 681 O ILE A 45 14.060 -15.733 -1.968 1.00 0.00 O ATOM 682 CB ILE A 45 11.758 -16.307 -4.350 1.00 0.00 C ATOM 683 CG1 ILE A 45 11.089 -17.276 -5.327 1.00 0.00 C ATOM 684 CG2 ILE A 45 12.451 -15.189 -5.134 1.00 0.00 C ATOM 685 CD1 ILE A 45 10.286 -16.486 -6.362 1.00 0.00 C ATOM 0 H ILE A 45 11.300 -18.578 -3.360 1.00 0.00 H new ATOM 0 HA ILE A 45 13.730 -17.119 -4.065 1.00 0.00 H new ATOM 0 HB ILE A 45 11.003 -15.876 -3.693 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.843 -17.885 -5.825 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.433 -17.959 -4.787 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.714 -14.653 -5.732 1.00 0.00 H new ATOM 0 HG22 ILE A 45 12.927 -14.498 -4.438 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.207 -15.620 -5.791 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.810 -17.177 -7.058 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.522 -15.896 -5.856 1.00 0.00 H new ATOM 0 HD13 ILE A 45 10.954 -15.822 -6.911 1.00 0.00 H new ATOM 697 N ARG A 46 12.050 -16.339 -1.318 1.00 0.00 N ATOM 698 CA ARG A 46 12.208 -15.639 -0.013 1.00 0.00 C ATOM 699 C ARG A 46 13.096 -16.476 0.907 1.00 0.00 C ATOM 700 O ARG A 46 13.815 -15.956 1.738 1.00 0.00 O ATOM 701 CB ARG A 46 10.836 -15.450 0.636 1.00 0.00 C ATOM 702 CG ARG A 46 9.945 -14.619 -0.290 1.00 0.00 C ATOM 703 CD ARG A 46 8.592 -14.380 0.385 1.00 0.00 C ATOM 704 NE ARG A 46 7.660 -13.739 -0.584 1.00 0.00 N ATOM 705 CZ ARG A 46 8.080 -12.770 -1.351 1.00 0.00 C ATOM 706 NH1 ARG A 46 9.017 -11.965 -0.932 1.00 0.00 N ATOM 707 NH2 ARG A 46 7.565 -12.609 -2.539 1.00 0.00 N ATOM 0 H ARG A 46 11.156 -16.812 -1.451 1.00 0.00 H new ATOM 0 HA ARG A 46 12.668 -14.664 -0.177 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.376 -16.419 0.828 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.943 -14.952 1.599 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.424 -13.666 -0.515 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.804 -15.137 -1.238 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.176 -15.325 0.735 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.718 -13.743 1.261 1.00 0.00 H new ATOM 0 HE ARG A 46 6.693 -14.057 -0.648 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.422 -12.093 -0.005 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.345 -11.208 -1.532 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.834 -13.240 -2.868 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.893 -11.852 -3.139 1.00 0.00 H new ATOM 721 N GLN A 47 13.054 -17.772 0.766 1.00 0.00 N ATOM 722 CA GLN A 47 13.895 -18.645 1.631 1.00 0.00 C ATOM 723 C GLN A 47 13.558 -18.383 3.099 1.00 0.00 C ATOM 724 O GLN A 47 14.404 -18.470 3.967 1.00 0.00 O ATOM 725 CB GLN A 47 15.373 -18.337 1.378 1.00 0.00 C ATOM 726 CG GLN A 47 15.712 -18.645 -0.082 1.00 0.00 C ATOM 727 CD GLN A 47 17.182 -18.314 -0.348 1.00 0.00 C ATOM 728 OE1 GLN A 47 17.808 -17.613 0.423 1.00 0.00 O ATOM 729 NE2 GLN A 47 17.763 -18.792 -1.414 1.00 0.00 N ATOM 0 H GLN A 47 12.473 -18.265 0.088 1.00 0.00 H new ATOM 0 HA GLN A 47 13.698 -19.691 1.397 1.00 0.00 H new ATOM 0 HB2 GLN A 47 15.581 -17.290 1.598 1.00 0.00 H new ATOM 0 HB3 GLN A 47 15.999 -18.933 2.042 1.00 0.00 H new ATOM 0 HG2 GLN A 47 15.521 -19.697 -0.296 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.072 -18.063 -0.745 1.00 0.00 H new ATOM 0 HE21 GLN A 47 17.238 -19.380 -2.061 1.00 0.00 H new ATOM 0 HE22 GLN A 47 18.743 -18.578 -1.600 1.00 0.00 H new ATOM 738 N THR A 48 12.325 -18.064 3.384 1.00 0.00 N ATOM 739 CA THR A 48 11.929 -17.800 4.796 1.00 0.00 C ATOM 740 C THR A 48 11.064 -18.953 5.307 1.00 0.00 C ATOM 741 O THR A 48 10.509 -18.893 6.387 1.00 0.00 O ATOM 742 CB THR A 48 11.129 -16.496 4.868 1.00 0.00 C ATOM 743 OG1 THR A 48 9.933 -16.635 4.115 1.00 0.00 O ATOM 744 CG2 THR A 48 11.963 -15.349 4.295 1.00 0.00 C ATOM 0 H THR A 48 11.574 -17.975 2.699 1.00 0.00 H new ATOM 0 HA THR A 48 12.824 -17.713 5.412 1.00 0.00 H new ATOM 0 HB THR A 48 10.883 -16.278 5.907 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.419 -15.802 4.161 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.392 -14.422 4.347 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.881 -15.242 4.873 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.212 -15.564 3.256 1.00 0.00 H new ATOM 752 N ASN A 49 10.942 -20.002 4.542 1.00 0.00 N ATOM 753 CA ASN A 49 10.111 -21.155 4.986 1.00 0.00 C ATOM 754 C ASN A 49 8.687 -20.674 5.276 1.00 0.00 C ATOM 755 O ASN A 49 8.160 -20.875 6.352 1.00 0.00 O ATOM 756 CB ASN A 49 10.714 -21.763 6.253 1.00 0.00 C ATOM 757 CG ASN A 49 10.117 -23.153 6.483 1.00 0.00 C ATOM 758 OD1 ASN A 49 9.350 -23.638 5.677 1.00 0.00 O ATOM 759 ND2 ASN A 49 10.440 -23.819 7.559 1.00 0.00 N ATOM 0 H ASN A 49 11.382 -20.110 3.628 1.00 0.00 H new ATOM 0 HA ASN A 49 10.087 -21.910 4.200 1.00 0.00 H new ATOM 0 HB2 ASN A 49 11.798 -21.832 6.157 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.510 -21.121 7.110 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.048 -24.746 7.722 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.085 -23.412 8.237 1.00 0.00 H new ATOM 766 N THR A 50 8.061 -20.039 4.323 1.00 0.00 N ATOM 767 CA THR A 50 6.672 -19.546 4.543 1.00 0.00 C ATOM 768 C THR A 50 5.689 -20.708 4.404 1.00 0.00 C ATOM 769 O THR A 50 5.790 -21.516 3.502 1.00 0.00 O ATOM 770 CB THR A 50 6.336 -18.477 3.499 1.00 0.00 C ATOM 771 OG1 THR A 50 7.264 -17.405 3.603 1.00 0.00 O ATOM 772 CG2 THR A 50 4.919 -17.954 3.743 1.00 0.00 C ATOM 0 H THR A 50 8.451 -19.840 3.402 1.00 0.00 H new ATOM 0 HA THR A 50 6.596 -19.119 5.543 1.00 0.00 H new ATOM 0 HB THR A 50 6.395 -18.911 2.501 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.173 -17.765 3.671 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.679 -17.193 3.000 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.209 -18.777 3.662 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.858 -17.519 4.741 1.00 0.00 H new ATOM 780 N HIS A 51 4.734 -20.796 5.287 1.00 0.00 N ATOM 781 CA HIS A 51 3.741 -21.902 5.199 1.00 0.00 C ATOM 782 C HIS A 51 2.360 -21.316 4.912 1.00 0.00 C ATOM 783 O HIS A 51 2.208 -20.126 4.720 1.00 0.00 O ATOM 784 CB HIS A 51 3.701 -22.663 6.523 1.00 0.00 C ATOM 785 CG HIS A 51 5.078 -22.693 7.130 1.00 0.00 C ATOM 786 ND1 HIS A 51 5.563 -21.658 7.914 1.00 0.00 N ATOM 787 CD2 HIS A 51 6.085 -23.625 7.076 1.00 0.00 C ATOM 788 CE1 HIS A 51 6.810 -21.989 8.296 1.00 0.00 C ATOM 789 NE2 HIS A 51 7.178 -23.178 7.813 1.00 0.00 N ATOM 0 H HIS A 51 4.598 -20.151 6.065 1.00 0.00 H new ATOM 0 HA HIS A 51 4.027 -22.584 4.398 1.00 0.00 H new ATOM 0 HB2 HIS A 51 3.001 -22.185 7.208 1.00 0.00 H new ATOM 0 HB3 HIS A 51 3.343 -23.679 6.359 1.00 0.00 H new ATOM 0 HD1 HIS A 51 5.065 -20.801 8.157 1.00 0.00 H new ATOM 0 HD2 HIS A 51 6.036 -24.563 6.543 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.437 -21.368 8.918 1.00 0.00 H new ATOM 797 N ILE A 52 1.350 -22.140 4.883 1.00 0.00 N ATOM 798 CA ILE A 52 -0.016 -21.620 4.610 1.00 0.00 C ATOM 799 C ILE A 52 -0.689 -21.229 5.926 1.00 0.00 C ATOM 800 O ILE A 52 -0.824 -22.027 6.832 1.00 0.00 O ATOM 801 CB ILE A 52 -0.850 -22.694 3.915 1.00 0.00 C ATOM 802 CG1 ILE A 52 -0.242 -23.008 2.545 1.00 0.00 C ATOM 803 CG2 ILE A 52 -2.278 -22.174 3.739 1.00 0.00 C ATOM 804 CD1 ILE A 52 -1.162 -23.964 1.782 1.00 0.00 C ATOM 0 H ILE A 52 1.412 -23.147 5.036 1.00 0.00 H new ATOM 0 HA ILE A 52 0.058 -20.745 3.964 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.861 -23.603 4.516 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.105 -22.088 1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.744 -23.456 2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.883 -22.933 3.243 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.706 -21.949 4.716 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.263 -21.269 3.132 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.728 -24.186 0.807 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.276 -24.889 2.348 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.138 -23.499 1.647 1.00 0.00 H new ATOM 816 N ARG A 53 -1.114 -20.003 6.030 1.00 0.00 N ATOM 817 CA ARG A 53 -1.785 -19.538 7.276 1.00 0.00 C ATOM 818 C ARG A 53 -3.248 -19.968 7.252 1.00 0.00 C ATOM 819 O ARG A 53 -3.774 -20.484 8.219 1.00 0.00 O ATOM 820 CB ARG A 53 -1.720 -18.013 7.342 1.00 0.00 C ATOM 821 CG ARG A 53 -2.423 -17.521 8.607 1.00 0.00 C ATOM 822 CD ARG A 53 -2.209 -16.012 8.751 1.00 0.00 C ATOM 823 NE ARG A 53 -2.831 -15.540 10.020 1.00 0.00 N ATOM 824 CZ ARG A 53 -4.104 -15.734 10.237 1.00 0.00 C ATOM 825 NH1 ARG A 53 -4.951 -14.755 10.070 1.00 0.00 N ATOM 826 NH2 ARG A 53 -4.529 -16.905 10.623 1.00 0.00 N ATOM 0 H ARG A 53 -1.025 -19.296 5.300 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.285 -19.971 8.143 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.681 -17.683 7.340 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.193 -17.581 6.460 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.488 -17.745 8.555 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.030 -18.041 9.481 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.143 -15.783 8.749 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.649 -15.489 7.902 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.262 -15.065 10.720 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.619 -13.839 9.770 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.945 -14.906 10.239 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.867 -17.670 10.755 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.523 -17.056 10.792 1.00 0.00 H new ATOM 840 N SER A 54 -3.907 -19.747 6.154 1.00 0.00 N ATOM 841 CA SER A 54 -5.341 -20.126 6.054 1.00 0.00 C ATOM 842 C SER A 54 -5.695 -20.399 4.593 1.00 0.00 C ATOM 843 O SER A 54 -5.109 -19.840 3.687 1.00 0.00 O ATOM 844 CB SER A 54 -6.200 -18.975 6.581 1.00 0.00 C ATOM 845 OG SER A 54 -6.508 -18.088 5.516 1.00 0.00 O ATOM 0 H SER A 54 -3.513 -19.318 5.317 1.00 0.00 H new ATOM 0 HA SER A 54 -5.527 -21.024 6.644 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.118 -19.364 7.021 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.669 -18.442 7.370 1.00 0.00 H new ATOM 0 HG SER A 54 -7.060 -17.351 5.853 1.00 0.00 H new ATOM 851 N THR A 55 -6.652 -21.251 4.353 1.00 0.00 N ATOM 852 CA THR A 55 -7.040 -21.551 2.947 1.00 0.00 C ATOM 853 C THR A 55 -7.754 -20.337 2.352 1.00 0.00 C ATOM 854 O THR A 55 -8.479 -19.636 3.031 1.00 0.00 O ATOM 855 CB THR A 55 -7.978 -22.761 2.919 1.00 0.00 C ATOM 856 OG1 THR A 55 -9.253 -22.383 3.418 1.00 0.00 O ATOM 857 CG2 THR A 55 -7.398 -23.880 3.787 1.00 0.00 C ATOM 0 H THR A 55 -7.181 -21.751 5.067 1.00 0.00 H new ATOM 0 HA THR A 55 -6.148 -21.775 2.362 1.00 0.00 H new ATOM 0 HB THR A 55 -8.081 -23.117 1.894 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.854 -23.157 3.399 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.067 -24.740 3.766 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.421 -24.170 3.401 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.293 -23.527 4.813 1.00 0.00 H new ATOM 865 N GLY A 56 -7.550 -20.079 1.091 1.00 0.00 N ATOM 866 CA GLY A 56 -8.211 -18.906 0.454 1.00 0.00 C ATOM 867 C GLY A 56 -7.311 -17.680 0.599 1.00 0.00 C ATOM 868 O GLY A 56 -6.379 -17.668 1.378 1.00 0.00 O ATOM 0 H GLY A 56 -6.954 -20.630 0.473 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.401 -19.109 -0.600 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.177 -18.720 0.922 1.00 0.00 H new ATOM 872 N LYS A 57 -7.587 -16.649 -0.145 1.00 0.00 N ATOM 873 CA LYS A 57 -6.753 -15.418 -0.054 1.00 0.00 C ATOM 874 C LYS A 57 -6.924 -14.788 1.328 1.00 0.00 C ATOM 875 O LYS A 57 -7.996 -14.810 1.902 1.00 0.00 O ATOM 876 CB LYS A 57 -7.192 -14.417 -1.125 1.00 0.00 C ATOM 877 CG LYS A 57 -6.909 -14.995 -2.513 1.00 0.00 C ATOM 878 CD LYS A 57 -6.883 -13.863 -3.543 1.00 0.00 C ATOM 879 CE LYS A 57 -6.718 -14.457 -4.944 1.00 0.00 C ATOM 880 NZ LYS A 57 -5.273 -14.480 -5.306 1.00 0.00 N ATOM 0 H LYS A 57 -8.355 -16.604 -0.814 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.707 -15.680 -0.210 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.255 -14.199 -1.020 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.660 -13.475 -0.997 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.955 -15.521 -2.512 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.675 -15.724 -2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.805 -13.284 -3.487 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.063 -13.178 -3.327 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.127 -15.467 -4.973 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.276 -13.866 -5.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.160 -14.883 -6.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.897 -13.511 -5.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.752 -15.062 -4.619 1.00 0.00 H new ATOM 894 N CYS A 58 -5.879 -14.225 1.868 1.00 0.00 N ATOM 895 CA CYS A 58 -5.986 -13.593 3.211 1.00 0.00 C ATOM 896 C CYS A 58 -6.678 -12.236 3.078 1.00 0.00 C ATOM 897 O CYS A 58 -6.626 -11.601 2.044 1.00 0.00 O ATOM 898 CB CYS A 58 -4.586 -13.399 3.798 1.00 0.00 C ATOM 899 SG CYS A 58 -4.489 -14.218 5.409 1.00 0.00 S ATOM 0 H CYS A 58 -4.956 -14.176 1.437 1.00 0.00 H new ATOM 0 HA CYS A 58 -6.568 -14.236 3.871 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.836 -13.811 3.123 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.369 -12.336 3.905 1.00 0.00 H new ATOM 904 N GLU A 59 -7.328 -11.788 4.115 1.00 0.00 N ATOM 905 CA GLU A 59 -8.026 -10.473 4.044 1.00 0.00 C ATOM 906 C GLU A 59 -9.106 -10.529 2.962 1.00 0.00 C ATOM 907 O GLU A 59 -8.751 -10.493 1.796 1.00 0.00 O ATOM 908 CB GLU A 59 -7.016 -9.377 3.699 1.00 0.00 C ATOM 909 CG GLU A 59 -6.000 -9.241 4.835 1.00 0.00 C ATOM 910 CD GLU A 59 -5.058 -8.072 4.540 1.00 0.00 C ATOM 911 OE1 GLU A 59 -5.132 -7.539 3.446 1.00 0.00 O ATOM 912 OE2 GLU A 59 -4.278 -7.731 5.415 1.00 0.00 O ATOM 913 OXT GLU A 59 -10.270 -10.607 3.319 1.00 0.00 O ATOM 0 H GLU A 59 -7.407 -12.274 5.008 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.486 -10.253 5.007 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.505 -9.619 2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.531 -8.429 3.543 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.516 -9.076 5.781 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.430 -10.164 4.940 1.00 0.00 H new