USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=13 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 48 THR OG1 : rot 84:sc= 0.143 USER MOD Set 1.2: A 50 THR OG1 : rot -112:sc= 1.32 USER MOD Set 2.1: A 31 GLN : amide:sc= 0.36 K(o=0.79,f=-1.6!) USER MOD Set 2.2: A 33 TYR OH : rot 73:sc= 0.426 USER MOD Single : A 4 MET CE :methyl -151:sc= -0.146 (180deg=-1.36) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -151:sc= -0.206! USER MOD Single : A 16 TYR OH : rot 59:sc= -2.03! USER MOD Single : A 20 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0987) USER MOD Single : A 23 LYS NZ :NH3+ -130:sc= -0.0289 (180deg=-0.295) USER MOD Single : A 32 THR OG1 : rot -31:sc= 0.993 USER MOD Single : A 34 ASN : amide:sc= -0.295 X(o=-0.3,f=-0.43) USER MOD Single : A 35 ASN : amide:sc= -7.39! C(o=-7.4!,f=-21!) USER MOD Single : A 38 MET CE :methyl 170:sc=-0.00492 (180deg=-0.0733) USER MOD Single : A 41 HIS : no HE2:sc= -0.95 K(o=-0.95,f=-5.8!) USER MOD Single : A 43 ASN : amide:sc= -5.92! C(o=-5.9!,f=-6.4!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 49 ASN : amide:sc= -0.0611 K(o=-0.061,f=-1.7!) USER MOD Single : A 51 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.14) 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 3.908 -30.048 2.225 1.00 0.00 N ATOM 42 CA MET A 4 3.695 -30.572 0.848 1.00 0.00 C ATOM 43 C MET A 4 5.000 -30.458 0.059 1.00 0.00 C ATOM 44 O MET A 4 5.341 -31.321 -0.725 1.00 0.00 O ATOM 45 CB MET A 4 2.604 -29.755 0.154 1.00 0.00 C ATOM 46 CG MET A 4 1.239 -30.133 0.734 1.00 0.00 C ATOM 47 SD MET A 4 -0.072 -29.429 -0.297 1.00 0.00 S ATOM 48 CE MET A 4 0.434 -27.697 -0.162 1.00 0.00 C ATOM 0 HA MET A 4 3.387 -31.616 0.897 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.788 -28.690 0.293 1.00 0.00 H new ATOM 0 HB3 MET A 4 2.620 -29.944 -0.919 1.00 0.00 H new ATOM 0 HG2 MET A 4 1.139 -31.217 0.778 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.151 -29.763 1.755 1.00 0.00 H new ATOM 0 HE1 MET A 4 -0.441 -27.054 -0.257 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.904 -27.530 0.807 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.144 -27.463 -0.955 1.00 0.00 H new ATOM 58 N CYS A 5 5.738 -29.400 0.265 1.00 0.00 N ATOM 59 CA CYS A 5 7.022 -29.235 -0.468 1.00 0.00 C ATOM 60 C CYS A 5 8.190 -29.533 0.473 1.00 0.00 C ATOM 61 O CYS A 5 9.337 -29.518 0.074 1.00 0.00 O ATOM 62 CB CYS A 5 7.142 -27.801 -0.990 1.00 0.00 C ATOM 63 SG CYS A 5 7.425 -26.668 0.393 1.00 0.00 S ATOM 0 H CYS A 5 5.505 -28.644 0.909 1.00 0.00 H new ATOM 0 HA CYS A 5 7.045 -29.927 -1.310 1.00 0.00 H new ATOM 0 HB2 CYS A 5 7.963 -27.731 -1.703 1.00 0.00 H new ATOM 0 HB3 CYS A 5 6.233 -27.520 -1.522 1.00 0.00 H new ATOM 68 N LYS A 6 7.911 -29.803 1.719 1.00 0.00 N ATOM 69 CA LYS A 6 9.016 -30.100 2.671 1.00 0.00 C ATOM 70 C LYS A 6 9.938 -31.146 2.043 1.00 0.00 C ATOM 71 O LYS A 6 11.106 -31.236 2.363 1.00 0.00 O ATOM 72 CB LYS A 6 8.438 -30.638 3.981 1.00 0.00 C ATOM 73 CG LYS A 6 8.147 -29.470 4.927 1.00 0.00 C ATOM 74 CD LYS A 6 8.197 -29.961 6.376 1.00 0.00 C ATOM 75 CE LYS A 6 7.283 -29.092 7.244 1.00 0.00 C ATOM 76 NZ LYS A 6 8.093 -28.416 8.297 1.00 0.00 N ATOM 0 H LYS A 6 6.972 -29.831 2.116 1.00 0.00 H new ATOM 0 HA LYS A 6 9.579 -29.191 2.882 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.524 -31.198 3.785 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.142 -31.329 4.445 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.877 -28.675 4.776 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.166 -29.047 4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.882 -31.003 6.429 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.220 -29.918 6.750 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.776 -28.350 6.627 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.509 -29.706 7.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.472 -27.826 8.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.557 -29.132 8.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.816 -27.818 7.848 1.00 0.00 H new ATOM 90 N ASP A 7 9.419 -31.924 1.132 1.00 0.00 N ATOM 91 CA ASP A 7 10.256 -32.954 0.457 1.00 0.00 C ATOM 92 C ASP A 7 10.274 -32.639 -1.037 1.00 0.00 C ATOM 93 O ASP A 7 10.398 -33.512 -1.873 1.00 0.00 O ATOM 94 CB ASP A 7 9.653 -34.343 0.682 1.00 0.00 C ATOM 95 CG ASP A 7 9.770 -34.718 2.160 1.00 0.00 C ATOM 96 OD1 ASP A 7 10.563 -34.096 2.848 1.00 0.00 O ATOM 97 OD2 ASP A 7 9.066 -35.621 2.580 1.00 0.00 O ATOM 0 H ASP A 7 8.447 -31.889 0.826 1.00 0.00 H new ATOM 0 HA ASP A 7 11.268 -32.944 0.862 1.00 0.00 H new ATOM 0 HB2 ASP A 7 8.607 -34.351 0.376 1.00 0.00 H new ATOM 0 HB3 ASP A 7 10.170 -35.079 0.067 1.00 0.00 H new ATOM 102 N TYR A 8 10.129 -31.388 -1.368 1.00 0.00 N ATOM 103 CA TYR A 8 10.111 -30.980 -2.796 1.00 0.00 C ATOM 104 C TYR A 8 11.532 -30.892 -3.348 1.00 0.00 C ATOM 105 O TYR A 8 12.490 -30.729 -2.618 1.00 0.00 O ATOM 106 CB TYR A 8 9.450 -29.607 -2.907 1.00 0.00 C ATOM 107 CG TYR A 8 8.796 -29.475 -4.256 1.00 0.00 C ATOM 108 CD1 TYR A 8 9.569 -29.182 -5.385 1.00 0.00 C ATOM 109 CD2 TYR A 8 7.414 -29.645 -4.377 1.00 0.00 C ATOM 110 CE1 TYR A 8 8.961 -29.061 -6.637 1.00 0.00 C ATOM 111 CE2 TYR A 8 6.802 -29.522 -5.631 1.00 0.00 C ATOM 112 CZ TYR A 8 7.576 -29.230 -6.761 1.00 0.00 C ATOM 113 OH TYR A 8 6.973 -29.110 -7.996 1.00 0.00 O ATOM 0 H TYR A 8 10.021 -30.623 -0.702 1.00 0.00 H new ATOM 0 HA TYR A 8 9.556 -31.722 -3.370 1.00 0.00 H new ATOM 0 HB2 TYR A 8 8.709 -29.483 -2.118 1.00 0.00 H new ATOM 0 HB3 TYR A 8 10.193 -28.821 -2.772 1.00 0.00 H new ATOM 0 HD1 TYR A 8 10.636 -29.049 -5.288 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.819 -29.871 -3.505 1.00 0.00 H new ATOM 0 HE1 TYR A 8 9.558 -28.837 -7.509 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.734 -29.652 -5.726 1.00 0.00 H new ATOM 0 HH TYR A 8 6.051 -28.797 -7.881 1.00 0.00 H new ATOM 123 N ARG A 9 11.668 -30.984 -4.642 1.00 0.00 N ATOM 124 CA ARG A 9 13.014 -30.890 -5.267 1.00 0.00 C ATOM 125 C ARG A 9 12.893 -30.127 -6.586 1.00 0.00 C ATOM 126 O ARG A 9 12.018 -30.384 -7.387 1.00 0.00 O ATOM 127 CB ARG A 9 13.558 -32.289 -5.546 1.00 0.00 C ATOM 128 CG ARG A 9 15.075 -32.294 -5.353 1.00 0.00 C ATOM 129 CD ARG A 9 15.651 -33.606 -5.889 1.00 0.00 C ATOM 130 NE ARG A 9 17.032 -33.374 -6.395 1.00 0.00 N ATOM 131 CZ ARG A 9 18.022 -33.251 -5.555 1.00 0.00 C ATOM 132 NH1 ARG A 9 18.183 -34.128 -4.602 1.00 0.00 N ATOM 133 NH2 ARG A 9 18.852 -32.250 -5.666 1.00 0.00 N ATOM 0 H ARG A 9 10.898 -31.121 -5.297 1.00 0.00 H new ATOM 0 HA ARG A 9 13.693 -30.371 -4.591 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.093 -33.012 -4.876 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.309 -32.591 -6.563 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.522 -31.448 -5.875 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.319 -32.182 -4.297 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.663 -34.359 -5.101 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.020 -33.992 -6.689 1.00 0.00 H new ATOM 0 HE ARG A 9 17.204 -33.311 -7.398 1.00 0.00 H new ATOM 0 HH11 ARG A 9 17.534 -34.910 -4.514 1.00 0.00 H new ATOM 0 HH12 ARG A 9 18.958 -34.031 -3.945 1.00 0.00 H new ATOM 0 HH21 ARG A 9 18.727 -31.564 -6.410 1.00 0.00 H new ATOM 0 HH22 ARG A 9 19.626 -32.154 -5.009 1.00 0.00 H new ATOM 147 N VAL A 10 13.765 -29.190 -6.814 1.00 0.00 N ATOM 148 CA VAL A 10 13.705 -28.406 -8.078 1.00 0.00 C ATOM 149 C VAL A 10 15.105 -28.315 -8.685 1.00 0.00 C ATOM 150 O VAL A 10 16.077 -28.086 -7.995 1.00 0.00 O ATOM 151 CB VAL A 10 13.183 -27.000 -7.779 1.00 0.00 C ATOM 152 CG1 VAL A 10 13.143 -26.186 -9.074 1.00 0.00 C ATOM 153 CG2 VAL A 10 11.774 -27.094 -7.190 1.00 0.00 C ATOM 0 H VAL A 10 14.520 -28.931 -6.179 1.00 0.00 H new ATOM 0 HA VAL A 10 13.035 -28.898 -8.783 1.00 0.00 H new ATOM 0 HB VAL A 10 13.843 -26.511 -7.063 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.771 -25.184 -8.862 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.147 -26.120 -9.493 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.482 -26.674 -9.790 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.401 -26.092 -6.977 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.112 -27.583 -7.905 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.803 -27.674 -6.268 1.00 0.00 H new ATOM 163 N LEU A 11 15.216 -28.493 -9.973 1.00 0.00 N ATOM 164 CA LEU A 11 16.554 -28.418 -10.622 1.00 0.00 C ATOM 165 C LEU A 11 16.556 -27.295 -11.663 1.00 0.00 C ATOM 166 O LEU A 11 15.535 -26.701 -11.948 1.00 0.00 O ATOM 167 CB LEU A 11 16.861 -29.751 -11.306 1.00 0.00 C ATOM 168 CG LEU A 11 17.892 -30.524 -10.478 1.00 0.00 C ATOM 169 CD1 LEU A 11 17.404 -30.634 -9.032 1.00 0.00 C ATOM 170 CD2 LEU A 11 18.071 -31.925 -11.064 1.00 0.00 C ATOM 0 H LEU A 11 14.438 -28.687 -10.603 1.00 0.00 H new ATOM 0 HA LEU A 11 17.314 -28.212 -9.868 1.00 0.00 H new ATOM 0 HB2 LEU A 11 15.948 -30.338 -11.409 1.00 0.00 H new ATOM 0 HB3 LEU A 11 17.243 -29.576 -12.312 1.00 0.00 H new ATOM 0 HG LEU A 11 18.846 -29.997 -10.501 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.137 -31.184 -8.442 1.00 0.00 H new ATOM 0 HD12 LEU A 11 17.277 -29.635 -8.614 1.00 0.00 H new ATOM 0 HD13 LEU A 11 16.450 -31.161 -9.009 1.00 0.00 H new ATOM 0 HD21 LEU A 11 18.805 -32.475 -10.475 1.00 0.00 H new ATOM 0 HD22 LEU A 11 17.118 -32.453 -11.041 1.00 0.00 H new ATOM 0 HD23 LEU A 11 18.418 -31.847 -12.094 1.00 0.00 H new ATOM 182 N PRO A 12 17.732 -27.003 -12.239 1.00 0.00 N ATOM 183 CA PRO A 12 17.878 -25.951 -13.253 1.00 0.00 C ATOM 184 C PRO A 12 17.178 -26.324 -14.563 1.00 0.00 C ATOM 185 O PRO A 12 16.779 -25.472 -15.329 1.00 0.00 O ATOM 186 CB PRO A 12 19.390 -25.867 -13.468 1.00 0.00 C ATOM 187 CG PRO A 12 19.899 -27.211 -13.070 1.00 0.00 C ATOM 188 CD PRO A 12 19.010 -27.677 -11.951 1.00 0.00 C ATOM 0 HA PRO A 12 17.429 -25.010 -12.935 1.00 0.00 H new ATOM 0 HB2 PRO A 12 19.631 -25.643 -14.507 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.834 -25.078 -12.860 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.865 -27.905 -13.910 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.938 -27.154 -12.745 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.902 -28.762 -11.947 1.00 0.00 H new ATOM 0 HD3 PRO A 12 19.406 -27.392 -10.976 1.00 0.00 H new ATOM 196 N ARG A 13 17.025 -27.594 -14.820 1.00 0.00 N ATOM 197 CA ARG A 13 16.347 -28.023 -16.075 1.00 0.00 C ATOM 198 C ARG A 13 14.928 -28.491 -15.748 1.00 0.00 C ATOM 199 O ARG A 13 14.065 -28.535 -16.602 1.00 0.00 O ATOM 200 CB ARG A 13 17.128 -29.175 -16.711 1.00 0.00 C ATOM 201 CG ARG A 13 16.357 -29.706 -17.922 1.00 0.00 C ATOM 202 CD ARG A 13 16.969 -31.033 -18.376 1.00 0.00 C ATOM 203 NE ARG A 13 16.400 -31.415 -19.700 1.00 0.00 N ATOM 204 CZ ARG A 13 17.194 -31.641 -20.710 1.00 0.00 C ATOM 205 NH1 ARG A 13 17.536 -32.863 -21.012 1.00 0.00 N ATOM 206 NH2 ARG A 13 17.644 -30.644 -21.422 1.00 0.00 N ATOM 0 H ARG A 13 17.340 -28.353 -14.215 1.00 0.00 H new ATOM 0 HA ARG A 13 16.306 -27.185 -16.771 1.00 0.00 H new ATOM 0 HB2 ARG A 13 18.117 -28.833 -17.017 1.00 0.00 H new ATOM 0 HB3 ARG A 13 17.278 -29.973 -15.983 1.00 0.00 H new ATOM 0 HG2 ARG A 13 15.307 -29.847 -17.665 1.00 0.00 H new ATOM 0 HG3 ARG A 13 16.391 -28.981 -18.735 1.00 0.00 H new ATOM 0 HD2 ARG A 13 18.053 -30.941 -18.447 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.763 -31.811 -17.641 1.00 0.00 H new ATOM 0 HE ARG A 13 15.390 -31.500 -19.816 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.182 -33.643 -20.458 1.00 0.00 H new ATOM 0 HH12 ARG A 13 18.157 -33.038 -21.802 1.00 0.00 H new ATOM 0 HH21 ARG A 13 17.375 -29.688 -21.189 1.00 0.00 H new ATOM 0 HH22 ARG A 13 18.265 -30.821 -22.212 1.00 0.00 H new ATOM 220 N ILE A 14 14.679 -28.842 -14.516 1.00 0.00 N ATOM 221 CA ILE A 14 13.318 -29.308 -14.133 1.00 0.00 C ATOM 222 C ILE A 14 12.497 -28.124 -13.617 1.00 0.00 C ATOM 223 O ILE A 14 11.357 -27.936 -13.994 1.00 0.00 O ATOM 224 CB ILE A 14 13.434 -30.369 -13.037 1.00 0.00 C ATOM 225 CG1 ILE A 14 14.148 -31.601 -13.598 1.00 0.00 C ATOM 226 CG2 ILE A 14 12.036 -30.762 -12.557 1.00 0.00 C ATOM 227 CD1 ILE A 14 14.333 -32.636 -12.487 1.00 0.00 C ATOM 0 H ILE A 14 15.361 -28.826 -13.758 1.00 0.00 H new ATOM 0 HA ILE A 14 12.822 -29.738 -15.003 1.00 0.00 H new ATOM 0 HB ILE A 14 14.004 -29.968 -12.199 1.00 0.00 H new ATOM 0 HG12 ILE A 14 13.568 -32.029 -14.415 1.00 0.00 H new ATOM 0 HG13 ILE A 14 15.117 -31.317 -14.009 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.119 -31.518 -11.776 1.00 0.00 H new ATOM 0 HG22 ILE A 14 11.528 -29.884 -12.159 1.00 0.00 H new ATOM 0 HG23 ILE A 14 11.464 -31.165 -13.393 1.00 0.00 H new ATOM 0 HD11 ILE A 14 14.842 -33.513 -12.888 1.00 0.00 H new ATOM 0 HD12 ILE A 14 14.931 -32.205 -11.684 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.358 -32.929 -12.096 1.00 0.00 H new ATOM 239 N GLY A 15 13.066 -27.323 -12.757 1.00 0.00 N ATOM 240 CA GLY A 15 12.316 -26.151 -12.220 1.00 0.00 C ATOM 241 C GLY A 15 11.262 -26.633 -11.220 1.00 0.00 C ATOM 242 O GLY A 15 11.236 -27.786 -10.836 1.00 0.00 O ATOM 0 H GLY A 15 14.017 -27.429 -12.403 1.00 0.00 H new ATOM 0 HA2 GLY A 15 13.003 -25.458 -11.735 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.838 -25.608 -13.035 1.00 0.00 H new ATOM 246 N TYR A 16 10.392 -25.758 -10.793 1.00 0.00 N ATOM 247 CA TYR A 16 9.341 -26.165 -9.818 1.00 0.00 C ATOM 248 C TYR A 16 8.128 -26.710 -10.574 1.00 0.00 C ATOM 249 O TYR A 16 7.860 -26.326 -11.696 1.00 0.00 O ATOM 250 CB TYR A 16 8.921 -24.952 -8.983 1.00 0.00 C ATOM 251 CG TYR A 16 8.742 -25.369 -7.543 1.00 0.00 C ATOM 252 CD1 TYR A 16 7.586 -26.056 -7.153 1.00 0.00 C ATOM 253 CD2 TYR A 16 9.732 -25.071 -6.599 1.00 0.00 C ATOM 254 CE1 TYR A 16 7.420 -26.444 -5.818 1.00 0.00 C ATOM 255 CE2 TYR A 16 9.565 -25.460 -5.264 1.00 0.00 C ATOM 256 CZ TYR A 16 8.409 -26.147 -4.874 1.00 0.00 C ATOM 257 OH TYR A 16 8.244 -26.531 -3.560 1.00 0.00 O ATOM 0 H TYR A 16 10.364 -24.779 -11.078 1.00 0.00 H new ATOM 0 HA TYR A 16 9.736 -26.939 -9.160 1.00 0.00 H new ATOM 0 HB2 TYR A 16 9.676 -24.169 -9.055 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.991 -24.535 -9.370 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.823 -26.287 -7.882 1.00 0.00 H new ATOM 0 HD2 TYR A 16 10.624 -24.542 -6.900 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.528 -26.973 -5.517 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.328 -25.230 -4.535 1.00 0.00 H new ATOM 0 HH TYR A 16 8.137 -27.504 -3.515 1.00 0.00 H new ATOM 267 N LEU A 17 7.390 -27.601 -9.968 1.00 0.00 N ATOM 268 CA LEU A 17 6.193 -28.168 -10.653 1.00 0.00 C ATOM 269 C LEU A 17 4.953 -27.913 -9.799 1.00 0.00 C ATOM 270 O LEU A 17 4.949 -28.150 -8.608 1.00 0.00 O ATOM 271 CB LEU A 17 6.367 -29.676 -10.839 1.00 0.00 C ATOM 272 CG LEU A 17 7.725 -29.965 -11.477 1.00 0.00 C ATOM 273 CD1 LEU A 17 8.824 -29.800 -10.427 1.00 0.00 C ATOM 274 CD2 LEU A 17 7.738 -31.399 -12.007 1.00 0.00 C ATOM 0 H LEU A 17 7.564 -27.960 -9.029 1.00 0.00 H new ATOM 0 HA LEU A 17 6.080 -27.692 -11.627 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.292 -30.182 -9.876 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.568 -30.069 -11.468 1.00 0.00 H new ATOM 0 HG LEU A 17 7.900 -29.270 -12.298 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.794 -30.006 -10.880 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.811 -28.779 -10.044 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.651 -30.497 -9.607 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.705 -31.610 -12.463 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.566 -32.093 -11.184 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.952 -31.519 -12.752 1.00 0.00 H new ATOM 286 N CYS A 18 3.898 -27.439 -10.394 1.00 0.00 N ATOM 287 CA CYS A 18 2.662 -27.179 -9.608 1.00 0.00 C ATOM 288 C CYS A 18 1.443 -27.620 -10.421 1.00 0.00 C ATOM 289 O CYS A 18 1.495 -27.714 -11.632 1.00 0.00 O ATOM 290 CB CYS A 18 2.558 -25.686 -9.295 1.00 0.00 C ATOM 291 SG CYS A 18 4.019 -25.170 -8.361 1.00 0.00 S ATOM 0 H CYS A 18 3.837 -27.220 -11.388 1.00 0.00 H new ATOM 0 HA CYS A 18 2.699 -27.740 -8.674 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.482 -25.113 -10.219 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.654 -25.485 -8.720 1.00 0.00 H new ATOM 296 N PRO A 19 0.324 -27.901 -9.736 1.00 0.00 N ATOM 297 CA PRO A 19 -0.915 -28.336 -10.391 1.00 0.00 C ATOM 298 C PRO A 19 -1.564 -27.199 -11.185 1.00 0.00 C ATOM 299 O PRO A 19 -1.179 -26.051 -11.069 1.00 0.00 O ATOM 300 CB PRO A 19 -1.814 -28.741 -9.223 1.00 0.00 C ATOM 301 CG PRO A 19 -1.301 -27.955 -8.064 1.00 0.00 C ATOM 302 CD PRO A 19 0.181 -27.812 -8.273 1.00 0.00 C ATOM 0 HA PRO A 19 -0.741 -29.138 -11.108 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.859 -28.509 -9.428 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.757 -29.813 -9.032 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.782 -26.978 -8.013 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.514 -28.465 -7.124 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.552 -26.862 -7.889 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.737 -28.600 -7.765 1.00 0.00 H new ATOM 310 N LYS A 20 -2.541 -27.505 -11.991 1.00 0.00 N ATOM 311 CA LYS A 20 -3.207 -26.438 -12.790 1.00 0.00 C ATOM 312 C LYS A 20 -4.381 -25.864 -11.996 1.00 0.00 C ATOM 313 O LYS A 20 -4.928 -24.833 -12.338 1.00 0.00 O ATOM 314 CB LYS A 20 -3.714 -27.027 -14.107 1.00 0.00 C ATOM 315 CG LYS A 20 -2.526 -27.561 -14.911 1.00 0.00 C ATOM 316 CD LYS A 20 -3.003 -28.013 -16.292 1.00 0.00 C ATOM 317 CE LYS A 20 -1.856 -28.717 -17.020 1.00 0.00 C ATOM 318 NZ LYS A 20 -0.814 -27.717 -17.388 1.00 0.00 N ATOM 0 H LYS A 20 -2.907 -28.446 -12.132 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.492 -25.643 -13.003 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.425 -27.829 -13.910 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.243 -26.265 -14.680 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.766 -26.787 -15.013 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.063 -28.395 -14.384 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.854 -28.687 -16.192 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.343 -27.154 -16.871 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.425 -29.489 -16.382 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.230 -29.215 -17.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.120 -28.157 -18.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.261 -26.910 -17.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.332 -27.385 -16.528 1.00 0.00 H new ATOM 332 N ASP A 21 -4.772 -26.516 -10.936 1.00 0.00 N ATOM 333 CA ASP A 21 -5.905 -25.998 -10.121 1.00 0.00 C ATOM 334 C ASP A 21 -5.434 -24.785 -9.318 1.00 0.00 C ATOM 335 O ASP A 21 -4.523 -24.877 -8.519 1.00 0.00 O ATOM 336 CB ASP A 21 -6.386 -27.089 -9.162 1.00 0.00 C ATOM 337 CG ASP A 21 -6.694 -28.364 -9.949 1.00 0.00 C ATOM 338 OD1 ASP A 21 -6.813 -28.275 -11.161 1.00 0.00 O ATOM 339 OD2 ASP A 21 -6.805 -29.408 -9.327 1.00 0.00 O ATOM 0 H ASP A 21 -4.356 -27.384 -10.600 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.725 -25.707 -10.778 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.623 -27.289 -8.410 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.277 -26.753 -8.631 1.00 0.00 H new ATOM 344 N LEU A 22 -6.038 -23.648 -9.526 1.00 0.00 N ATOM 345 CA LEU A 22 -5.614 -22.435 -8.774 1.00 0.00 C ATOM 346 C LEU A 22 -6.259 -22.434 -7.388 1.00 0.00 C ATOM 347 O LEU A 22 -7.457 -22.286 -7.248 1.00 0.00 O ATOM 348 CB LEU A 22 -6.044 -21.180 -9.537 1.00 0.00 C ATOM 349 CG LEU A 22 -5.620 -19.938 -8.751 1.00 0.00 C ATOM 350 CD1 LEU A 22 -4.121 -20.008 -8.453 1.00 0.00 C ATOM 351 CD2 LEU A 22 -5.913 -18.685 -9.580 1.00 0.00 C ATOM 0 H LEU A 22 -6.805 -23.507 -10.183 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.529 -22.442 -8.667 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.590 -21.170 -10.528 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.124 -21.181 -9.682 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.176 -19.895 -7.815 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.820 -19.123 -7.893 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.908 -20.900 -7.864 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.565 -20.051 -9.390 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.611 -17.800 -9.020 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.357 -18.730 -10.516 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.980 -18.632 -9.795 1.00 0.00 H new ATOM 363 N LYS A 23 -5.472 -22.592 -6.360 1.00 0.00 N ATOM 364 CA LYS A 23 -6.038 -22.591 -4.979 1.00 0.00 C ATOM 365 C LYS A 23 -5.361 -21.485 -4.172 1.00 0.00 C ATOM 366 O LYS A 23 -4.216 -21.601 -3.782 1.00 0.00 O ATOM 367 CB LYS A 23 -5.791 -23.946 -4.300 1.00 0.00 C ATOM 368 CG LYS A 23 -5.514 -25.022 -5.355 1.00 0.00 C ATOM 369 CD LYS A 23 -5.361 -26.382 -4.671 1.00 0.00 C ATOM 370 CE LYS A 23 -6.711 -27.102 -4.656 1.00 0.00 C ATOM 371 NZ LYS A 23 -6.752 -28.104 -5.759 1.00 0.00 N ATOM 0 H LYS A 23 -4.462 -22.722 -6.415 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.113 -22.417 -5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.945 -23.870 -3.616 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.659 -24.226 -3.703 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.330 -25.056 -6.077 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.608 -24.778 -5.909 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.622 -26.985 -5.198 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.996 -26.249 -3.652 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.861 -27.596 -3.696 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.521 -26.382 -4.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.628 -27.982 -6.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.931 -27.967 -6.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.726 -29.063 -5.358 1.00 0.00 H new ATOM 385 N PRO A 24 -6.086 -20.384 -3.927 1.00 0.00 N ATOM 386 CA PRO A 24 -5.564 -19.234 -3.176 1.00 0.00 C ATOM 387 C PRO A 24 -5.297 -19.578 -1.709 1.00 0.00 C ATOM 388 O PRO A 24 -6.194 -19.935 -0.973 1.00 0.00 O ATOM 389 CB PRO A 24 -6.687 -18.202 -3.279 1.00 0.00 C ATOM 390 CG PRO A 24 -7.915 -19.013 -3.512 1.00 0.00 C ATOM 391 CD PRO A 24 -7.480 -20.176 -4.355 1.00 0.00 C ATOM 0 HA PRO A 24 -4.610 -18.887 -3.572 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.768 -17.611 -2.367 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.511 -17.503 -4.097 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.345 -19.352 -2.569 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.681 -18.427 -4.019 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.094 -21.058 -4.175 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.547 -19.952 -5.420 1.00 0.00 H new ATOM 399 N VAL A 25 -4.069 -19.476 -1.280 1.00 0.00 N ATOM 400 CA VAL A 25 -3.751 -19.798 0.141 1.00 0.00 C ATOM 401 C VAL A 25 -3.260 -18.546 0.864 1.00 0.00 C ATOM 402 O VAL A 25 -2.730 -17.632 0.262 1.00 0.00 O ATOM 403 CB VAL A 25 -2.649 -20.857 0.198 1.00 0.00 C ATOM 404 CG1 VAL A 25 -3.072 -22.089 -0.600 1.00 0.00 C ATOM 405 CG2 VAL A 25 -1.362 -20.280 -0.394 1.00 0.00 C ATOM 0 H VAL A 25 -3.274 -19.185 -1.849 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.654 -20.172 0.623 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.478 -21.145 1.235 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.283 -22.840 -0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.988 -22.500 -0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.247 -21.807 -1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.574 -21.032 -0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.536 -19.990 -1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.057 -19.405 0.181 1.00 0.00 H new ATOM 415 N CYS A 26 -3.416 -18.507 2.159 1.00 0.00 N ATOM 416 CA CYS A 26 -2.942 -17.328 2.934 1.00 0.00 C ATOM 417 C CYS A 26 -1.563 -17.649 3.518 1.00 0.00 C ATOM 418 O CYS A 26 -1.309 -18.752 3.955 1.00 0.00 O ATOM 419 CB CYS A 26 -3.926 -17.028 4.069 1.00 0.00 C ATOM 420 SG CYS A 26 -3.448 -15.491 4.897 1.00 0.00 S ATOM 0 H CYS A 26 -3.852 -19.243 2.714 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.877 -16.456 2.283 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.938 -16.940 3.673 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.934 -17.851 4.784 1.00 0.00 H new ATOM 425 N GLY A 27 -0.668 -16.702 3.516 1.00 0.00 N ATOM 426 CA GLY A 27 0.694 -16.968 4.060 1.00 0.00 C ATOM 427 C GLY A 27 0.778 -16.492 5.512 1.00 0.00 C ATOM 428 O GLY A 27 0.287 -15.436 5.861 1.00 0.00 O ATOM 0 H GLY A 27 -0.819 -15.757 3.162 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.915 -18.034 4.004 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.443 -16.455 3.456 1.00 0.00 H new ATOM 432 N ASP A 28 1.400 -17.264 6.361 1.00 0.00 N ATOM 433 CA ASP A 28 1.522 -16.859 7.790 1.00 0.00 C ATOM 434 C ASP A 28 2.391 -15.605 7.891 1.00 0.00 C ATOM 435 O ASP A 28 2.442 -14.955 8.917 1.00 0.00 O ATOM 436 CB ASP A 28 2.167 -17.996 8.586 1.00 0.00 C ATOM 437 CG ASP A 28 3.545 -18.309 8.001 1.00 0.00 C ATOM 438 OD1 ASP A 28 3.992 -17.554 7.153 1.00 0.00 O ATOM 439 OD2 ASP A 28 4.129 -19.300 8.408 1.00 0.00 O ATOM 0 H ASP A 28 1.829 -18.159 6.126 1.00 0.00 H new ATOM 0 HA ASP A 28 0.533 -16.647 8.196 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.261 -17.713 9.634 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.535 -18.883 8.551 1.00 0.00 H new ATOM 444 N ASP A 29 3.074 -15.256 6.834 1.00 0.00 N ATOM 445 CA ASP A 29 3.935 -14.042 6.875 1.00 0.00 C ATOM 446 C ASP A 29 3.098 -12.813 6.509 1.00 0.00 C ATOM 447 O ASP A 29 3.622 -11.746 6.256 1.00 0.00 O ATOM 448 CB ASP A 29 5.082 -14.193 5.872 1.00 0.00 C ATOM 449 CG ASP A 29 5.992 -15.342 6.308 1.00 0.00 C ATOM 450 OD1 ASP A 29 5.843 -15.798 7.429 1.00 0.00 O ATOM 451 OD2 ASP A 29 6.823 -15.748 5.510 1.00 0.00 O ATOM 0 H ASP A 29 3.072 -15.759 5.946 1.00 0.00 H new ATOM 0 HA ASP A 29 4.344 -13.921 7.878 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.685 -14.387 4.876 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.652 -13.266 5.813 1.00 0.00 H new ATOM 456 N GLY A 30 1.801 -12.955 6.476 1.00 0.00 N ATOM 457 CA GLY A 30 0.932 -11.796 6.123 1.00 0.00 C ATOM 458 C GLY A 30 0.914 -11.622 4.604 1.00 0.00 C ATOM 459 O GLY A 30 0.805 -10.524 4.096 1.00 0.00 O ATOM 0 H GLY A 30 1.305 -13.823 6.678 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.080 -11.959 6.494 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.304 -10.889 6.600 1.00 0.00 H new ATOM 463 N GLN A 31 1.022 -12.699 3.877 1.00 0.00 N ATOM 464 CA GLN A 31 1.014 -12.602 2.391 1.00 0.00 C ATOM 465 C GLN A 31 0.023 -13.621 1.823 1.00 0.00 C ATOM 466 O GLN A 31 -0.529 -14.429 2.541 1.00 0.00 O ATOM 467 CB GLN A 31 2.416 -12.901 1.855 1.00 0.00 C ATOM 468 CG GLN A 31 3.311 -11.676 2.057 1.00 0.00 C ATOM 469 CD GLN A 31 4.746 -12.018 1.649 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.015 -13.109 1.187 1.00 0.00 O ATOM 471 NE2 GLN A 31 5.685 -11.124 1.803 1.00 0.00 N ATOM 0 H GLN A 31 1.116 -13.644 4.249 1.00 0.00 H new ATOM 0 HA GLN A 31 0.717 -11.597 2.091 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.839 -13.763 2.372 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.365 -13.157 0.797 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.942 -10.841 1.462 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.284 -11.361 3.100 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.459 -10.208 2.191 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.645 -11.341 1.535 1.00 0.00 H new ATOM 480 N THR A 32 -0.206 -13.592 0.538 1.00 0.00 N ATOM 481 CA THR A 32 -1.160 -14.563 -0.068 1.00 0.00 C ATOM 482 C THR A 32 -0.555 -15.142 -1.346 1.00 0.00 C ATOM 483 O THR A 32 -0.037 -14.425 -2.180 1.00 0.00 O ATOM 484 CB THR A 32 -2.471 -13.853 -0.411 1.00 0.00 C ATOM 485 OG1 THR A 32 -3.069 -13.357 0.778 1.00 0.00 O ATOM 486 CG2 THR A 32 -3.419 -14.844 -1.090 1.00 0.00 C ATOM 0 H THR A 32 0.225 -12.939 -0.117 1.00 0.00 H new ATOM 0 HA THR A 32 -1.355 -15.365 0.644 1.00 0.00 H new ATOM 0 HB THR A 32 -2.271 -13.020 -1.085 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.842 -13.945 1.528 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.355 -14.342 -1.336 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.958 -15.221 -2.003 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.620 -15.676 -0.415 1.00 0.00 H new ATOM 494 N TYR A 33 -0.622 -16.433 -1.512 1.00 0.00 N ATOM 495 CA TYR A 33 -0.056 -17.055 -2.741 1.00 0.00 C ATOM 496 C TYR A 33 -1.199 -17.624 -3.581 1.00 0.00 C ATOM 497 O TYR A 33 -1.979 -18.433 -3.119 1.00 0.00 O ATOM 498 CB TYR A 33 0.910 -18.173 -2.350 1.00 0.00 C ATOM 499 CG TYR A 33 1.960 -17.623 -1.415 1.00 0.00 C ATOM 500 CD1 TYR A 33 3.149 -17.088 -1.931 1.00 0.00 C ATOM 501 CD2 TYR A 33 1.747 -17.644 -0.032 1.00 0.00 C ATOM 502 CE1 TYR A 33 4.122 -16.578 -1.065 1.00 0.00 C ATOM 503 CE2 TYR A 33 2.721 -17.134 0.835 1.00 0.00 C ATOM 504 CZ TYR A 33 3.908 -16.600 0.319 1.00 0.00 C ATOM 505 OH TYR A 33 4.868 -16.096 1.173 1.00 0.00 O ATOM 0 H TYR A 33 -1.044 -17.084 -0.850 1.00 0.00 H new ATOM 0 HA TYR A 33 0.485 -16.307 -3.321 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.367 -18.986 -1.867 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.382 -18.589 -3.240 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.314 -17.070 -2.998 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.831 -18.054 0.367 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.038 -16.167 -1.463 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.557 -17.153 1.902 1.00 0.00 H new ATOM 0 HH TYR A 33 4.875 -15.118 1.117 1.00 0.00 H new ATOM 515 N ASN A 34 -1.314 -17.197 -4.807 1.00 0.00 N ATOM 516 CA ASN A 34 -2.417 -17.704 -5.670 1.00 0.00 C ATOM 517 C ASN A 34 -2.487 -19.231 -5.591 1.00 0.00 C ATOM 518 O ASN A 34 -3.317 -19.786 -4.902 1.00 0.00 O ATOM 519 CB ASN A 34 -2.183 -17.264 -7.119 1.00 0.00 C ATOM 520 CG ASN A 34 -1.688 -15.818 -7.141 1.00 0.00 C ATOM 521 OD1 ASN A 34 -2.239 -14.964 -6.476 1.00 0.00 O ATOM 522 ND2 ASN A 34 -0.662 -15.506 -7.885 1.00 0.00 N ATOM 0 H ASN A 34 -0.693 -16.519 -5.249 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.363 -17.291 -5.319 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.451 -17.917 -7.595 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.107 -17.352 -7.690 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.322 -14.544 -7.908 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.200 -16.224 -8.443 1.00 0.00 H new ATOM 529 N ASN A 35 -1.631 -19.917 -6.295 1.00 0.00 N ATOM 530 CA ASN A 35 -1.662 -21.408 -6.263 1.00 0.00 C ATOM 531 C ASN A 35 -0.920 -21.918 -5.025 1.00 0.00 C ATOM 532 O ASN A 35 0.028 -21.312 -4.567 1.00 0.00 O ATOM 533 CB ASN A 35 -1.002 -21.939 -7.540 1.00 0.00 C ATOM 534 CG ASN A 35 -0.730 -23.439 -7.416 1.00 0.00 C ATOM 535 OD1 ASN A 35 0.034 -23.863 -6.575 1.00 0.00 O ATOM 536 ND2 ASN A 35 -1.330 -24.264 -8.232 1.00 0.00 N ATOM 0 H ASN A 35 -0.910 -19.511 -6.892 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.692 -21.760 -6.212 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.649 -21.750 -8.397 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.068 -21.407 -7.722 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.156 -25.267 -8.162 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.972 -23.905 -8.939 1.00 0.00 H new ATOM 543 N PRO A 36 -1.364 -23.061 -4.473 1.00 0.00 N ATOM 544 CA PRO A 36 -0.743 -23.663 -3.283 1.00 0.00 C ATOM 545 C PRO A 36 0.701 -24.089 -3.551 1.00 0.00 C ATOM 546 O PRO A 36 1.610 -23.700 -2.844 1.00 0.00 O ATOM 547 CB PRO A 36 -1.622 -24.885 -3.002 1.00 0.00 C ATOM 548 CG PRO A 36 -2.245 -25.197 -4.319 1.00 0.00 C ATOM 549 CD PRO A 36 -2.499 -23.864 -4.960 1.00 0.00 C ATOM 0 HA PRO A 36 -0.689 -22.966 -2.447 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.032 -25.723 -2.632 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.376 -24.668 -2.246 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.584 -25.809 -4.932 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.172 -25.757 -4.193 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.512 -23.932 -6.048 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.457 -23.442 -4.655 1.00 0.00 H new ATOM 557 N CYS A 37 0.930 -24.867 -4.574 1.00 0.00 N ATOM 558 CA CYS A 37 2.322 -25.285 -4.880 1.00 0.00 C ATOM 559 C CYS A 37 3.140 -24.028 -5.180 1.00 0.00 C ATOM 560 O CYS A 37 4.342 -23.994 -5.001 1.00 0.00 O ATOM 561 CB CYS A 37 2.322 -26.216 -6.097 1.00 0.00 C ATOM 562 SG CYS A 37 4.005 -26.378 -6.744 1.00 0.00 S ATOM 0 H CYS A 37 0.216 -25.228 -5.206 1.00 0.00 H new ATOM 0 HA CYS A 37 2.756 -25.819 -4.035 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.934 -27.195 -5.817 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.662 -25.820 -6.869 1.00 0.00 H new ATOM 567 N MET A 38 2.488 -22.990 -5.626 1.00 0.00 N ATOM 568 CA MET A 38 3.210 -21.724 -5.929 1.00 0.00 C ATOM 569 C MET A 38 3.667 -21.079 -4.617 1.00 0.00 C ATOM 570 O MET A 38 4.371 -20.089 -4.612 1.00 0.00 O ATOM 571 CB MET A 38 2.268 -20.769 -6.666 1.00 0.00 C ATOM 572 CG MET A 38 2.432 -20.957 -8.175 1.00 0.00 C ATOM 573 SD MET A 38 1.403 -19.750 -9.048 1.00 0.00 S ATOM 574 CE MET A 38 2.569 -18.368 -8.973 1.00 0.00 C ATOM 0 H MET A 38 1.482 -22.965 -5.794 1.00 0.00 H new ATOM 0 HA MET A 38 4.077 -21.934 -6.555 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.236 -20.962 -6.374 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.489 -19.738 -6.391 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.477 -20.831 -8.457 1.00 0.00 H new ATOM 0 HG3 MET A 38 2.145 -21.969 -8.460 1.00 0.00 H new ATOM 0 HE1 MET A 38 2.214 -17.558 -9.610 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.648 -18.014 -7.945 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.548 -18.699 -9.319 1.00 0.00 H new ATOM 584 N LEU A 39 3.272 -21.635 -3.502 1.00 0.00 N ATOM 585 CA LEU A 39 3.681 -21.060 -2.191 1.00 0.00 C ATOM 586 C LEU A 39 5.149 -21.386 -1.937 1.00 0.00 C ATOM 587 O LEU A 39 5.980 -20.507 -1.819 1.00 0.00 O ATOM 588 CB LEU A 39 2.818 -21.666 -1.082 1.00 0.00 C ATOM 589 CG LEU A 39 3.437 -21.349 0.280 1.00 0.00 C ATOM 590 CD1 LEU A 39 3.511 -19.832 0.466 1.00 0.00 C ATOM 591 CD2 LEU A 39 2.573 -21.958 1.388 1.00 0.00 C ATOM 0 H LEU A 39 2.682 -22.465 -3.445 1.00 0.00 H new ATOM 0 HA LEU A 39 3.546 -19.978 -2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.806 -21.265 -1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.741 -22.745 -1.216 1.00 0.00 H new ATOM 0 HG LEU A 39 4.441 -21.770 0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.952 -19.606 1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.126 -19.398 -0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.507 -19.410 0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.014 -21.732 2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.569 -21.537 1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.520 -23.039 1.256 1.00 0.00 H new ATOM 603 N CYS A 40 5.481 -22.642 -1.859 1.00 0.00 N ATOM 604 CA CYS A 40 6.900 -23.011 -1.620 1.00 0.00 C ATOM 605 C CYS A 40 7.763 -22.340 -2.686 1.00 0.00 C ATOM 606 O CYS A 40 8.916 -22.027 -2.465 1.00 0.00 O ATOM 607 CB CYS A 40 7.061 -24.528 -1.698 1.00 0.00 C ATOM 608 SG CYS A 40 8.282 -25.061 -0.473 1.00 0.00 S ATOM 0 H CYS A 40 4.834 -23.425 -1.950 1.00 0.00 H new ATOM 0 HA CYS A 40 7.210 -22.679 -0.629 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.105 -25.017 -1.512 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.380 -24.821 -2.698 1.00 0.00 H new ATOM 613 N HIS A 41 7.203 -22.101 -3.842 1.00 0.00 N ATOM 614 CA HIS A 41 7.978 -21.434 -4.923 1.00 0.00 C ATOM 615 C HIS A 41 8.421 -20.058 -4.432 1.00 0.00 C ATOM 616 O HIS A 41 9.595 -19.746 -4.401 1.00 0.00 O ATOM 617 CB HIS A 41 7.091 -21.274 -6.157 1.00 0.00 C ATOM 618 CG HIS A 41 7.954 -21.127 -7.381 1.00 0.00 C ATOM 619 ND1 HIS A 41 8.799 -22.135 -7.816 1.00 0.00 N ATOM 620 CD2 HIS A 41 8.113 -20.095 -8.271 1.00 0.00 C ATOM 621 CE1 HIS A 41 9.422 -21.693 -8.923 1.00 0.00 C ATOM 622 NE2 HIS A 41 9.040 -20.454 -9.245 1.00 0.00 N ATOM 0 H HIS A 41 6.241 -22.340 -4.082 1.00 0.00 H new ATOM 0 HA HIS A 41 8.850 -22.034 -5.182 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.437 -22.140 -6.262 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.449 -20.401 -6.045 1.00 0.00 H new ATOM 0 HD1 HIS A 41 8.926 -23.047 -7.377 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.597 -19.147 -8.223 1.00 0.00 H new ATOM 0 HE1 HIS A 41 10.143 -22.269 -9.483 1.00 0.00 H new ATOM 630 N GLU A 42 7.490 -19.233 -4.031 1.00 0.00 N ATOM 631 CA GLU A 42 7.864 -17.885 -3.527 1.00 0.00 C ATOM 632 C GLU A 42 8.693 -18.058 -2.257 1.00 0.00 C ATOM 633 O GLU A 42 9.413 -17.172 -1.840 1.00 0.00 O ATOM 634 CB GLU A 42 6.600 -17.083 -3.209 1.00 0.00 C ATOM 635 CG GLU A 42 6.972 -15.617 -2.980 1.00 0.00 C ATOM 636 CD GLU A 42 7.542 -15.029 -4.271 1.00 0.00 C ATOM 637 OE1 GLU A 42 7.172 -15.509 -5.331 1.00 0.00 O ATOM 638 OE2 GLU A 42 8.337 -14.109 -4.180 1.00 0.00 O ATOM 0 H GLU A 42 6.490 -19.436 -4.032 1.00 0.00 H new ATOM 0 HA GLU A 42 8.440 -17.351 -4.282 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.888 -17.165 -4.030 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.112 -17.489 -2.323 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.094 -15.052 -2.667 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.705 -15.538 -2.177 1.00 0.00 H new ATOM 645 N ASN A 43 8.597 -19.205 -1.642 1.00 0.00 N ATOM 646 CA ASN A 43 9.378 -19.454 -0.401 1.00 0.00 C ATOM 647 C ASN A 43 10.817 -19.801 -0.779 1.00 0.00 C ATOM 648 O ASN A 43 11.749 -19.507 -0.059 1.00 0.00 O ATOM 649 CB ASN A 43 8.753 -20.618 0.366 1.00 0.00 C ATOM 650 CG ASN A 43 7.355 -20.216 0.838 1.00 0.00 C ATOM 651 OD1 ASN A 43 7.044 -19.045 0.926 1.00 0.00 O ATOM 652 ND2 ASN A 43 6.491 -21.144 1.144 1.00 0.00 N ATOM 0 H ASN A 43 8.010 -19.981 -1.947 1.00 0.00 H new ATOM 0 HA ASN A 43 9.370 -18.563 0.227 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.695 -21.500 -0.272 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.376 -20.883 1.220 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.555 -20.886 1.457 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.751 -22.127 1.070 1.00 0.00 H new ATOM 659 N LEU A 44 11.003 -20.417 -1.913 1.00 0.00 N ATOM 660 CA LEU A 44 12.379 -20.777 -2.349 1.00 0.00 C ATOM 661 C LEU A 44 13.184 -19.492 -2.556 1.00 0.00 C ATOM 662 O LEU A 44 14.356 -19.423 -2.243 1.00 0.00 O ATOM 663 CB LEU A 44 12.305 -21.558 -3.663 1.00 0.00 C ATOM 664 CG LEU A 44 13.643 -22.250 -3.929 1.00 0.00 C ATOM 665 CD1 LEU A 44 14.718 -21.197 -4.203 1.00 0.00 C ATOM 666 CD2 LEU A 44 14.044 -23.079 -2.707 1.00 0.00 C ATOM 0 H LEU A 44 10.260 -20.687 -2.557 1.00 0.00 H new ATOM 0 HA LEU A 44 12.862 -21.394 -1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.506 -22.298 -3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.064 -20.884 -4.485 1.00 0.00 H new ATOM 0 HG LEU A 44 13.545 -22.904 -4.795 1.00 0.00 H new ATOM 0 HD11 LEU A 44 15.671 -21.691 -4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.435 -20.607 -5.075 1.00 0.00 H new ATOM 0 HD13 LEU A 44 14.815 -20.542 -3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 44 14.997 -23.571 -2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 44 14.140 -22.426 -1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.280 -23.831 -2.511 1.00 0.00 H new ATOM 678 N ILE A 45 12.559 -18.469 -3.075 1.00 0.00 N ATOM 679 CA ILE A 45 13.281 -17.185 -3.293 1.00 0.00 C ATOM 680 C ILE A 45 13.422 -16.456 -1.955 1.00 0.00 C ATOM 681 O ILE A 45 14.490 -16.007 -1.591 1.00 0.00 O ATOM 682 CB ILE A 45 12.488 -16.309 -4.266 1.00 0.00 C ATOM 683 CG1 ILE A 45 11.919 -17.179 -5.388 1.00 0.00 C ATOM 684 CG2 ILE A 45 13.411 -15.245 -4.862 1.00 0.00 C ATOM 685 CD1 ILE A 45 13.040 -18.022 -5.999 1.00 0.00 C ATOM 0 H ILE A 45 11.579 -18.469 -3.357 1.00 0.00 H new ATOM 0 HA ILE A 45 14.268 -17.387 -3.710 1.00 0.00 H new ATOM 0 HB ILE A 45 11.670 -15.823 -3.734 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.134 -17.827 -4.998 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.463 -16.551 -6.154 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.847 -14.621 -5.555 1.00 0.00 H new ATOM 0 HG22 ILE A 45 13.816 -14.625 -4.062 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.229 -15.730 -5.394 1.00 0.00 H new ATOM 0 HD11 ILE A 45 12.635 -18.642 -6.799 1.00 0.00 H new ATOM 0 HD12 ILE A 45 13.810 -17.365 -6.404 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.476 -18.660 -5.230 1.00 0.00 H new ATOM 697 N ARG A 46 12.350 -16.341 -1.221 1.00 0.00 N ATOM 698 CA ARG A 46 12.419 -15.647 0.095 1.00 0.00 C ATOM 699 C ARG A 46 13.252 -16.487 1.063 1.00 0.00 C ATOM 700 O ARG A 46 14.018 -15.969 1.852 1.00 0.00 O ATOM 701 CB ARG A 46 11.007 -15.475 0.656 1.00 0.00 C ATOM 702 CG ARG A 46 10.212 -14.529 -0.246 1.00 0.00 C ATOM 703 CD ARG A 46 8.880 -14.191 0.423 1.00 0.00 C ATOM 704 NE ARG A 46 8.034 -13.410 -0.523 1.00 0.00 N ATOM 705 CZ ARG A 46 8.542 -12.395 -1.166 1.00 0.00 C ATOM 706 NH1 ARG A 46 8.184 -11.180 -0.852 1.00 0.00 N ATOM 707 NH2 ARG A 46 9.410 -12.595 -2.119 1.00 0.00 N ATOM 0 H ARG A 46 11.429 -16.698 -1.476 1.00 0.00 H new ATOM 0 HA ARG A 46 12.880 -14.667 -0.031 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.508 -16.442 0.717 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.053 -15.076 1.669 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.782 -13.618 -0.428 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.037 -14.995 -1.216 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.366 -15.106 0.717 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.053 -13.616 1.333 1.00 0.00 H new ATOM 0 HE ARG A 46 7.058 -13.669 -0.668 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.508 -11.025 -0.104 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.581 -10.386 -1.354 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.691 -13.545 -2.361 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.807 -11.801 -2.622 1.00 0.00 H new ATOM 721 N GLN A 47 13.108 -17.780 1.004 1.00 0.00 N ATOM 722 CA GLN A 47 13.890 -18.661 1.916 1.00 0.00 C ATOM 723 C GLN A 47 13.512 -18.356 3.367 1.00 0.00 C ATOM 724 O GLN A 47 14.348 -18.350 4.248 1.00 0.00 O ATOM 725 CB GLN A 47 15.383 -18.405 1.711 1.00 0.00 C ATOM 726 CG GLN A 47 15.768 -18.764 0.274 1.00 0.00 C ATOM 727 CD GLN A 47 17.281 -18.620 0.100 1.00 0.00 C ATOM 728 OE1 GLN A 47 17.946 -18.032 0.928 1.00 0.00 O ATOM 729 NE2 GLN A 47 17.856 -19.137 -0.952 1.00 0.00 N ATOM 0 H GLN A 47 12.482 -18.267 0.363 1.00 0.00 H new ATOM 0 HA GLN A 47 13.667 -19.705 1.696 1.00 0.00 H new ATOM 0 HB2 GLN A 47 15.615 -17.359 1.911 1.00 0.00 H new ATOM 0 HB3 GLN A 47 15.965 -19.000 2.415 1.00 0.00 H new ATOM 0 HG2 GLN A 47 15.461 -19.785 0.048 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.247 -18.112 -0.427 1.00 0.00 H new ATOM 0 HE21 GLN A 47 17.297 -19.631 -1.648 1.00 0.00 H new ATOM 0 HE22 GLN A 47 18.864 -19.047 -1.078 1.00 0.00 H new ATOM 738 N THR A 48 12.257 -18.105 3.621 1.00 0.00 N ATOM 739 CA THR A 48 11.828 -17.803 5.015 1.00 0.00 C ATOM 740 C THR A 48 10.927 -18.929 5.524 1.00 0.00 C ATOM 741 O THR A 48 10.237 -18.787 6.514 1.00 0.00 O ATOM 742 CB THR A 48 11.055 -16.481 5.034 1.00 0.00 C ATOM 743 OG1 THR A 48 9.953 -16.565 4.141 1.00 0.00 O ATOM 744 CG2 THR A 48 11.979 -15.342 4.601 1.00 0.00 C ATOM 0 H THR A 48 11.512 -18.096 2.925 1.00 0.00 H new ATOM 0 HA THR A 48 12.705 -17.720 5.658 1.00 0.00 H new ATOM 0 HB THR A 48 10.691 -16.287 6.043 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.198 -16.997 4.593 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.428 -14.401 4.615 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.824 -15.278 5.287 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.345 -15.534 3.592 1.00 0.00 H new ATOM 752 N ASN A 49 10.930 -20.048 4.854 1.00 0.00 N ATOM 753 CA ASN A 49 10.077 -21.187 5.295 1.00 0.00 C ATOM 754 C ASN A 49 8.671 -20.677 5.615 1.00 0.00 C ATOM 755 O ASN A 49 8.194 -20.798 6.726 1.00 0.00 O ATOM 756 CB ASN A 49 10.688 -21.826 6.543 1.00 0.00 C ATOM 757 CG ASN A 49 12.102 -22.312 6.223 1.00 0.00 C ATOM 758 OD1 ASN A 49 12.479 -22.403 5.072 1.00 0.00 O ATOM 759 ND2 ASN A 49 12.908 -22.629 7.200 1.00 0.00 N ATOM 0 H ASN A 49 11.488 -20.223 4.018 1.00 0.00 H new ATOM 0 HA ASN A 49 10.019 -21.929 4.499 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.716 -21.104 7.359 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.071 -22.660 6.877 1.00 0.00 H new ATOM 0 HD21 ASN A 49 13.854 -22.953 6.996 1.00 0.00 H new ATOM 0 HD22 ASN A 49 12.592 -22.553 8.167 1.00 0.00 H new ATOM 766 N THR A 50 8.003 -20.108 4.649 1.00 0.00 N ATOM 767 CA THR A 50 6.628 -19.592 4.898 1.00 0.00 C ATOM 768 C THR A 50 5.633 -20.752 4.853 1.00 0.00 C ATOM 769 O THR A 50 5.762 -21.664 4.060 1.00 0.00 O ATOM 770 CB THR A 50 6.259 -18.574 3.818 1.00 0.00 C ATOM 771 OG1 THR A 50 7.223 -17.529 3.804 1.00 0.00 O ATOM 772 CG2 THR A 50 4.875 -17.991 4.115 1.00 0.00 C ATOM 0 H THR A 50 8.350 -19.978 3.699 1.00 0.00 H new ATOM 0 HA THR A 50 6.594 -19.115 5.878 1.00 0.00 H new ATOM 0 HB THR A 50 6.242 -19.066 2.845 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.808 -16.697 4.113 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.613 -17.266 3.345 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.137 -18.793 4.125 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.889 -17.499 5.087 1.00 0.00 H new ATOM 780 N HIS A 51 4.637 -20.720 5.692 1.00 0.00 N ATOM 781 CA HIS A 51 3.628 -21.816 5.692 1.00 0.00 C ATOM 782 C HIS A 51 2.257 -21.225 5.367 1.00 0.00 C ATOM 783 O HIS A 51 2.084 -20.023 5.327 1.00 0.00 O ATOM 784 CB HIS A 51 3.584 -22.476 7.071 1.00 0.00 C ATOM 785 CG HIS A 51 4.986 -22.651 7.591 1.00 0.00 C ATOM 786 ND1 HIS A 51 5.926 -23.432 6.937 1.00 0.00 N ATOM 787 CD2 HIS A 51 5.621 -22.153 8.703 1.00 0.00 C ATOM 788 CE1 HIS A 51 7.065 -23.381 7.653 1.00 0.00 C ATOM 789 NE2 HIS A 51 6.933 -22.614 8.738 1.00 0.00 N ATOM 0 H HIS A 51 4.477 -19.982 6.378 1.00 0.00 H new ATOM 0 HA HIS A 51 3.897 -22.564 4.946 1.00 0.00 H new ATOM 0 HB2 HIS A 51 3.003 -21.863 7.760 1.00 0.00 H new ATOM 0 HB3 HIS A 51 3.086 -23.443 7.007 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.170 -21.503 9.438 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.974 -23.897 7.383 1.00 0.00 H new ATOM 0 HE2 HIS A 51 7.642 -22.410 9.442 1.00 0.00 H new ATOM 797 N ILE A 52 1.277 -22.054 5.137 1.00 0.00 N ATOM 798 CA ILE A 52 -0.077 -21.522 4.821 1.00 0.00 C ATOM 799 C ILE A 52 -0.772 -21.109 6.118 1.00 0.00 C ATOM 800 O ILE A 52 -0.876 -21.880 7.052 1.00 0.00 O ATOM 801 CB ILE A 52 -0.908 -22.596 4.123 1.00 0.00 C ATOM 802 CG1 ILE A 52 -0.189 -23.054 2.852 1.00 0.00 C ATOM 803 CG2 ILE A 52 -2.272 -22.010 3.756 1.00 0.00 C ATOM 804 CD1 ILE A 52 -1.089 -24.014 2.075 1.00 0.00 C ATOM 0 H ILE A 52 1.354 -23.071 5.154 1.00 0.00 H new ATOM 0 HA ILE A 52 0.021 -20.659 4.162 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.040 -23.450 4.788 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.062 -22.193 2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.749 -23.546 3.109 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.872 -22.771 3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.782 -21.681 4.661 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.135 -21.160 3.088 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.577 -24.340 1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.318 -24.881 2.695 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.015 -23.507 1.805 1.00 0.00 H new ATOM 816 N ARG A 53 -1.249 -19.899 6.183 1.00 0.00 N ATOM 817 CA ARG A 53 -1.937 -19.435 7.420 1.00 0.00 C ATOM 818 C ARG A 53 -3.384 -19.923 7.409 1.00 0.00 C ATOM 819 O ARG A 53 -3.915 -20.359 8.411 1.00 0.00 O ATOM 820 CB ARG A 53 -1.922 -17.907 7.465 1.00 0.00 C ATOM 821 CG ARG A 53 -2.681 -17.424 8.702 1.00 0.00 C ATOM 822 CD ARG A 53 -2.671 -15.895 8.741 1.00 0.00 C ATOM 823 NE ARG A 53 -3.228 -15.427 10.042 1.00 0.00 N ATOM 824 CZ ARG A 53 -4.356 -15.913 10.481 1.00 0.00 C ATOM 825 NH1 ARG A 53 -4.352 -16.903 11.331 1.00 0.00 N ATOM 826 NH2 ARG A 53 -5.487 -15.409 10.070 1.00 0.00 N ATOM 0 H ARG A 53 -1.193 -19.210 5.433 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.422 -19.834 8.294 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.895 -17.544 7.491 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.381 -17.502 6.563 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.707 -17.791 8.679 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.219 -17.825 9.605 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.654 -15.524 8.614 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.261 -15.496 7.916 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.727 -14.727 10.589 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.467 -17.296 11.652 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.234 -17.284 11.675 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.489 -14.635 9.406 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.369 -15.789 10.413 1.00 0.00 H new ATOM 840 N SER A 54 -4.021 -19.852 6.277 1.00 0.00 N ATOM 841 CA SER A 54 -5.433 -20.306 6.181 1.00 0.00 C ATOM 842 C SER A 54 -5.768 -20.571 4.714 1.00 0.00 C ATOM 843 O SER A 54 -5.200 -19.973 3.822 1.00 0.00 O ATOM 844 CB SER A 54 -6.358 -19.217 6.728 1.00 0.00 C ATOM 845 OG SER A 54 -7.521 -19.816 7.280 1.00 0.00 O ATOM 0 H SER A 54 -3.622 -19.497 5.408 1.00 0.00 H new ATOM 0 HA SER A 54 -5.569 -21.218 6.762 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.840 -18.634 7.490 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.635 -18.526 5.931 1.00 0.00 H new ATOM 0 HG SER A 54 -8.113 -19.118 7.632 1.00 0.00 H new ATOM 851 N THR A 55 -6.682 -21.461 4.451 1.00 0.00 N ATOM 852 CA THR A 55 -7.038 -21.753 3.037 1.00 0.00 C ATOM 853 C THR A 55 -7.727 -20.533 2.423 1.00 0.00 C ATOM 854 O THR A 55 -8.489 -19.845 3.072 1.00 0.00 O ATOM 855 CB THR A 55 -7.983 -22.956 2.984 1.00 0.00 C ATOM 856 OG1 THR A 55 -9.266 -22.568 3.455 1.00 0.00 O ATOM 857 CG2 THR A 55 -7.430 -24.077 3.865 1.00 0.00 C ATOM 0 H THR A 55 -7.196 -21.997 5.151 1.00 0.00 H new ATOM 0 HA THR A 55 -6.133 -21.980 2.474 1.00 0.00 H new ATOM 0 HB THR A 55 -8.066 -23.311 1.957 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.873 -23.336 3.420 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.102 -24.934 3.828 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.445 -24.372 3.503 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.348 -23.725 4.893 1.00 0.00 H new ATOM 865 N GLY A 56 -7.458 -20.259 1.177 1.00 0.00 N ATOM 866 CA GLY A 56 -8.091 -19.084 0.517 1.00 0.00 C ATOM 867 C GLY A 56 -7.175 -17.867 0.657 1.00 0.00 C ATOM 868 O GLY A 56 -6.239 -17.864 1.433 1.00 0.00 O ATOM 0 H GLY A 56 -6.826 -20.799 0.586 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.271 -19.298 -0.537 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.060 -18.877 0.970 1.00 0.00 H new ATOM 872 N LYS A 57 -7.440 -16.836 -0.092 1.00 0.00 N ATOM 873 CA LYS A 57 -6.593 -15.613 -0.011 1.00 0.00 C ATOM 874 C LYS A 57 -6.746 -14.978 1.371 1.00 0.00 C ATOM 875 O LYS A 57 -7.787 -15.066 1.993 1.00 0.00 O ATOM 876 CB LYS A 57 -7.037 -14.615 -1.083 1.00 0.00 C ATOM 877 CG LYS A 57 -6.796 -15.212 -2.471 1.00 0.00 C ATOM 878 CD LYS A 57 -6.879 -14.104 -3.523 1.00 0.00 C ATOM 879 CE LYS A 57 -6.820 -14.722 -4.922 1.00 0.00 C ATOM 880 NZ LYS A 57 -5.396 -14.879 -5.334 1.00 0.00 N ATOM 0 H LYS A 57 -8.209 -16.786 -0.760 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.549 -15.882 -0.174 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.093 -14.376 -0.957 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.484 -13.682 -0.977 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.818 -15.691 -2.508 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.537 -15.984 -2.681 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.804 -13.541 -3.401 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.058 -13.400 -3.390 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.320 -15.691 -4.925 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.348 -14.088 -5.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.354 -15.299 -6.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.933 -13.948 -5.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.906 -15.500 -4.659 1.00 0.00 H new ATOM 894 N CYS A 58 -5.719 -14.337 1.858 1.00 0.00 N ATOM 895 CA CYS A 58 -5.810 -13.697 3.201 1.00 0.00 C ATOM 896 C CYS A 58 -6.940 -12.666 3.198 1.00 0.00 C ATOM 897 O CYS A 58 -7.294 -12.120 2.171 1.00 0.00 O ATOM 898 CB CYS A 58 -4.487 -13.002 3.526 1.00 0.00 C ATOM 899 SG CYS A 58 -3.129 -14.192 3.386 1.00 0.00 S ATOM 0 H CYS A 58 -4.822 -14.229 1.385 1.00 0.00 H new ATOM 0 HA CYS A 58 -6.014 -14.459 3.953 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.325 -12.168 2.844 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.519 -12.588 4.534 1.00 0.00 H new ATOM 904 N GLU A 59 -7.510 -12.395 4.340 1.00 0.00 N ATOM 905 CA GLU A 59 -8.618 -11.400 4.404 1.00 0.00 C ATOM 906 C GLU A 59 -9.632 -11.695 3.297 1.00 0.00 C ATOM 907 O GLU A 59 -9.844 -12.862 3.011 1.00 0.00 O ATOM 908 CB GLU A 59 -8.052 -9.992 4.213 1.00 0.00 C ATOM 909 CG GLU A 59 -7.067 -9.680 5.343 1.00 0.00 C ATOM 910 CD GLU A 59 -6.567 -8.242 5.199 1.00 0.00 C ATOM 911 OE1 GLU A 59 -6.842 -7.639 4.174 1.00 0.00 O ATOM 912 OE2 GLU A 59 -5.916 -7.767 6.116 1.00 0.00 O ATOM 913 OXT GLU A 59 -10.178 -10.749 2.754 1.00 0.00 O ATOM 0 H GLU A 59 -7.256 -12.820 5.232 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.109 -11.466 5.375 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.550 -9.918 3.248 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.861 -9.261 4.209 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.552 -9.813 6.310 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.227 -10.374 5.310 1.00 0.00 H new