USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 399 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 NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 61 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HE2 : A 56 HIS NE2 : A 61 ZNZN :(H bumps) USER MOD Set 1.1: A 25 LYS NZ :NH3+ 148:sc= -0.112 (180deg=0) USER MOD Set 1.2: A 27 MET CE :methyl 134:sc= -4.29 (180deg=-11.2!) USER MOD Single : A 14 THR OG1 : rot 27:sc= 0.815 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -141:sc= -0.56 (180deg=-1.83!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0243) USER MOD Single : A 31 THR OG1 : rot 82:sc= 0.443 USER MOD Single : A 40 THR OG1 : rot -21:sc= 0.583 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -2.54! C(o=-2.5!,f=-4.7!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0.0262 X(o=0.026,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.391 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -13.217 1.539 16.279 1.00 0.00 N ATOM 2 CA THR A 14 -12.083 1.533 15.312 1.00 0.00 C ATOM 3 C THR A 14 -12.535 2.157 13.991 1.00 0.00 C ATOM 4 O THR A 14 -13.412 1.649 13.322 1.00 0.00 O ATOM 5 CB THR A 14 -11.630 0.091 15.066 1.00 0.00 C ATOM 6 OG1 THR A 14 -11.968 -0.708 16.192 1.00 0.00 O ATOM 7 CG2 THR A 14 -10.116 0.059 14.852 1.00 0.00 C ATOM 0 HA THR A 14 -11.254 2.110 15.721 1.00 0.00 H new ATOM 0 HB THR A 14 -12.128 -0.300 14.179 1.00 0.00 H new ATOM 0 HG1 THR A 14 -12.739 -0.315 16.652 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.795 -0.968 14.677 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.858 0.672 13.989 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.615 0.450 15.738 1.00 0.00 H new ATOM 17 N LEU A 15 -11.942 3.255 13.610 1.00 0.00 N ATOM 18 CA LEU A 15 -12.337 3.912 12.333 1.00 0.00 C ATOM 19 C LEU A 15 -11.907 3.030 11.152 1.00 0.00 C ATOM 20 O LEU A 15 -10.730 2.807 10.952 1.00 0.00 O ATOM 21 CB LEU A 15 -11.646 5.274 12.227 1.00 0.00 C ATOM 22 CG LEU A 15 -12.685 6.387 12.374 1.00 0.00 C ATOM 23 CD1 LEU A 15 -12.789 6.800 13.843 1.00 0.00 C ATOM 24 CD2 LEU A 15 -12.259 7.594 11.536 1.00 0.00 C ATOM 0 H LEU A 15 -11.200 3.726 14.129 1.00 0.00 H new ATOM 0 HA LEU A 15 -13.418 4.049 12.312 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.885 5.368 13.001 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.137 5.362 11.267 1.00 0.00 H new ATOM 0 HG LEU A 15 -13.654 6.026 12.029 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -13.530 7.593 13.946 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -13.091 5.941 14.442 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.820 7.161 14.189 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.998 8.388 11.640 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.290 7.953 11.882 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -12.185 7.302 10.489 1.00 0.00 H new ATOM 36 N PRO A 16 -12.872 2.554 10.403 1.00 0.00 N ATOM 37 CA PRO A 16 -12.614 1.693 9.235 1.00 0.00 C ATOM 38 C PRO A 16 -12.150 2.538 8.044 1.00 0.00 C ATOM 39 O PRO A 16 -12.923 3.254 7.440 1.00 0.00 O ATOM 40 CB PRO A 16 -13.974 1.051 8.951 1.00 0.00 C ATOM 41 CG PRO A 16 -15.035 1.982 9.585 1.00 0.00 C ATOM 42 CD PRO A 16 -14.304 2.825 10.645 1.00 0.00 C ATOM 0 HA PRO A 16 -11.831 0.956 9.410 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -14.139 0.948 7.878 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -14.029 0.050 9.380 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -15.491 2.621 8.829 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -15.838 1.401 10.038 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -14.532 3.885 10.537 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -14.598 2.537 11.654 1.00 0.00 H new ATOM 50 N ARG A 17 -10.892 2.459 7.703 1.00 0.00 N ATOM 51 CA ARG A 17 -10.382 3.258 6.553 1.00 0.00 C ATOM 52 C ARG A 17 -10.846 4.709 6.694 1.00 0.00 C ATOM 53 O ARG A 17 -11.506 5.247 5.827 1.00 0.00 O ATOM 54 CB ARG A 17 -10.921 2.673 5.246 1.00 0.00 C ATOM 55 CG ARG A 17 -9.750 2.281 4.342 1.00 0.00 C ATOM 56 CD ARG A 17 -8.974 3.536 3.938 1.00 0.00 C ATOM 57 NE ARG A 17 -9.924 4.563 3.424 1.00 0.00 N ATOM 58 CZ ARG A 17 -10.587 4.346 2.321 1.00 0.00 C ATOM 59 NH1 ARG A 17 -10.228 3.376 1.524 1.00 0.00 N ATOM 60 NH2 ARG A 17 -11.608 5.098 2.014 1.00 0.00 N ATOM 0 H ARG A 17 -10.197 1.877 8.170 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.293 3.225 6.543 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.542 1.801 5.454 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.555 3.403 4.742 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.092 1.586 4.863 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.118 1.767 3.454 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.425 3.929 4.794 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.238 3.291 3.173 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.056 5.436 3.935 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.430 2.788 1.764 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.746 3.206 0.662 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.888 5.856 2.636 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.126 4.928 1.152 1.00 0.00 H new ATOM 74 N GLY A 18 -10.506 5.347 7.781 1.00 0.00 N ATOM 75 CA GLY A 18 -10.929 6.762 7.976 1.00 0.00 C ATOM 76 C GLY A 18 -10.431 7.613 6.807 1.00 0.00 C ATOM 77 O GLY A 18 -11.190 8.316 6.170 1.00 0.00 O ATOM 0 H GLY A 18 -9.954 4.950 8.541 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.015 6.821 8.045 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.529 7.146 8.914 1.00 0.00 H new ATOM 81 N SER A 19 -9.159 7.556 6.520 1.00 0.00 N ATOM 82 CA SER A 19 -8.613 8.363 5.392 1.00 0.00 C ATOM 83 C SER A 19 -7.108 8.114 5.268 1.00 0.00 C ATOM 84 O SER A 19 -6.354 8.991 4.899 1.00 0.00 O ATOM 85 CB SER A 19 -8.862 9.848 5.661 1.00 0.00 C ATOM 86 OG SER A 19 -8.990 10.534 4.423 1.00 0.00 O ATOM 0 H SER A 19 -8.475 6.986 7.017 1.00 0.00 H new ATOM 0 HA SER A 19 -9.107 8.073 4.465 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.767 9.975 6.256 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.039 10.268 6.239 1.00 0.00 H new ATOM 0 HG SER A 19 -9.151 11.486 4.592 1.00 0.00 H new ATOM 92 N ILE A 20 -6.666 6.924 5.572 1.00 0.00 N ATOM 93 CA ILE A 20 -5.211 6.623 5.470 1.00 0.00 C ATOM 94 C ILE A 20 -4.851 6.339 4.012 1.00 0.00 C ATOM 95 O ILE A 20 -3.774 6.663 3.552 1.00 0.00 O ATOM 96 CB ILE A 20 -4.879 5.396 6.324 1.00 0.00 C ATOM 97 CG1 ILE A 20 -5.782 5.373 7.561 1.00 0.00 C ATOM 98 CG2 ILE A 20 -3.417 5.462 6.764 1.00 0.00 C ATOM 99 CD1 ILE A 20 -5.792 6.757 8.212 1.00 0.00 C ATOM 0 H ILE A 20 -7.249 6.149 5.886 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.639 7.479 5.827 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.043 4.492 5.738 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -6.795 5.085 7.280 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.424 4.628 8.272 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.180 4.589 7.372 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.773 5.478 5.885 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.254 6.367 7.349 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.435 6.740 9.092 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.778 7.027 8.508 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.170 7.491 7.500 1.00 0.00 H new ATOM 111 N ASP A 21 -5.745 5.734 3.283 1.00 0.00 N ATOM 112 CA ASP A 21 -5.457 5.427 1.853 1.00 0.00 C ATOM 113 C ASP A 21 -5.452 6.725 1.044 1.00 0.00 C ATOM 114 O ASP A 21 -4.889 6.796 -0.030 1.00 0.00 O ATOM 115 CB ASP A 21 -6.533 4.488 1.307 1.00 0.00 C ATOM 116 CG ASP A 21 -6.044 3.041 1.399 1.00 0.00 C ATOM 117 OD1 ASP A 21 -4.841 2.846 1.448 1.00 0.00 O ATOM 118 OD2 ASP A 21 -6.880 2.153 1.421 1.00 0.00 O ATOM 0 H ASP A 21 -6.663 5.438 3.614 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.482 4.946 1.773 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.456 4.607 1.874 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.760 4.741 0.271 1.00 0.00 H new ATOM 123 N LYS A 22 -6.076 7.753 1.550 1.00 0.00 N ATOM 124 CA LYS A 22 -6.106 9.045 0.809 1.00 0.00 C ATOM 125 C LYS A 22 -4.941 9.924 1.269 1.00 0.00 C ATOM 126 O LYS A 22 -4.895 11.106 0.989 1.00 0.00 O ATOM 127 CB LYS A 22 -7.429 9.762 1.088 1.00 0.00 C ATOM 128 CG LYS A 22 -7.406 11.151 0.447 1.00 0.00 C ATOM 129 CD LYS A 22 -8.773 11.451 -0.173 1.00 0.00 C ATOM 130 CE LYS A 22 -9.859 11.314 0.896 1.00 0.00 C ATOM 131 NZ LYS A 22 -10.602 10.039 0.686 1.00 0.00 N ATOM 0 H LYS A 22 -6.566 7.754 2.444 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.016 8.853 -0.260 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.260 9.180 0.690 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.587 9.849 2.163 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.161 11.904 1.196 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.630 11.197 -0.317 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.782 12.458 -0.589 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.969 10.764 -0.996 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.411 11.327 1.889 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.544 12.160 0.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.614 10.192 0.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.474 9.720 -0.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.237 9.314 1.336 1.00 0.00 H new ATOM 145 N TYR A 23 -3.998 9.359 1.972 1.00 0.00 N ATOM 146 CA TYR A 23 -2.841 10.169 2.445 1.00 0.00 C ATOM 147 C TYR A 23 -1.614 9.270 2.609 1.00 0.00 C ATOM 148 O TYR A 23 -0.734 9.542 3.402 1.00 0.00 O ATOM 149 CB TYR A 23 -3.185 10.812 3.790 1.00 0.00 C ATOM 150 CG TYR A 23 -4.000 12.061 3.556 1.00 0.00 C ATOM 151 CD1 TYR A 23 -3.610 12.979 2.573 1.00 0.00 C ATOM 152 CD2 TYR A 23 -5.146 12.302 4.322 1.00 0.00 C ATOM 153 CE1 TYR A 23 -4.365 14.137 2.357 1.00 0.00 C ATOM 154 CE2 TYR A 23 -5.902 13.460 4.105 1.00 0.00 C ATOM 155 CZ TYR A 23 -5.512 14.377 3.123 1.00 0.00 C ATOM 156 OH TYR A 23 -6.256 15.520 2.910 1.00 0.00 O ATOM 0 H TYR A 23 -3.979 8.375 2.238 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.623 10.947 1.713 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.745 10.110 4.408 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -2.272 11.057 4.332 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -2.726 12.793 1.981 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.447 11.595 5.081 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.063 14.845 1.600 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.787 13.646 4.696 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.020 15.532 3.524 1.00 0.00 H new ATOM 166 N VAL A 24 -1.544 8.200 1.864 1.00 0.00 N ATOM 167 CA VAL A 24 -0.371 7.288 1.981 1.00 0.00 C ATOM 168 C VAL A 24 0.202 7.010 0.590 1.00 0.00 C ATOM 169 O VAL A 24 -0.251 6.130 -0.114 1.00 0.00 O ATOM 170 CB VAL A 24 -0.812 5.972 2.622 1.00 0.00 C ATOM 171 CG1 VAL A 24 0.364 4.996 2.650 1.00 0.00 C ATOM 172 CG2 VAL A 24 -1.286 6.237 4.053 1.00 0.00 C ATOM 0 H VAL A 24 -2.247 7.919 1.181 1.00 0.00 H new ATOM 0 HA VAL A 24 0.393 7.757 2.601 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.627 5.541 2.040 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.048 4.058 3.107 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.704 4.807 1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.180 5.426 3.231 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.601 5.300 4.511 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.470 6.668 4.633 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.125 6.932 4.035 1.00 0.00 H new ATOM 182 N LYS A 25 1.197 7.753 0.188 1.00 0.00 N ATOM 183 CA LYS A 25 1.797 7.529 -1.157 1.00 0.00 C ATOM 184 C LYS A 25 2.729 6.317 -1.103 1.00 0.00 C ATOM 185 O LYS A 25 3.711 6.307 -0.388 1.00 0.00 O ATOM 186 CB LYS A 25 2.595 8.767 -1.572 1.00 0.00 C ATOM 187 CG LYS A 25 2.930 8.682 -3.063 1.00 0.00 C ATOM 188 CD LYS A 25 1.708 9.098 -3.885 1.00 0.00 C ATOM 189 CE LYS A 25 2.103 10.211 -4.857 1.00 0.00 C ATOM 190 NZ LYS A 25 2.535 9.611 -6.151 1.00 0.00 N ATOM 0 H LYS A 25 1.620 8.505 0.733 1.00 0.00 H new ATOM 0 HA LYS A 25 1.005 7.347 -1.883 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.018 9.669 -1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.511 8.835 -0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.775 9.330 -3.294 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.227 7.666 -3.322 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.318 8.242 -4.435 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.912 9.443 -3.225 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.260 10.883 -5.019 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.910 10.809 -4.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.289 10.254 -6.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.564 9.461 -6.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.054 8.699 -6.289 1.00 0.00 H new ATOM 204 N GLU A 26 2.429 5.292 -1.854 1.00 0.00 N ATOM 205 CA GLU A 26 3.300 4.083 -1.842 1.00 0.00 C ATOM 206 C GLU A 26 4.087 4.008 -3.152 1.00 0.00 C ATOM 207 O GLU A 26 3.527 3.835 -4.215 1.00 0.00 O ATOM 208 CB GLU A 26 2.430 2.832 -1.698 1.00 0.00 C ATOM 209 CG GLU A 26 1.510 2.986 -0.485 1.00 0.00 C ATOM 210 CD GLU A 26 1.072 1.606 0.004 1.00 0.00 C ATOM 211 OE1 GLU A 26 1.403 0.632 -0.654 1.00 0.00 O ATOM 212 OE2 GLU A 26 0.412 1.543 1.029 1.00 0.00 O ATOM 0 H GLU A 26 1.620 5.240 -2.474 1.00 0.00 H new ATOM 0 HA GLU A 26 3.995 4.143 -1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.837 2.683 -2.600 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.060 1.950 -1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.029 3.518 0.313 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.637 3.583 -0.751 1.00 0.00 H new ATOM 219 N MET A 27 5.385 4.138 -3.084 1.00 0.00 N ATOM 220 CA MET A 27 6.204 4.073 -4.325 1.00 0.00 C ATOM 221 C MET A 27 6.816 2.671 -4.461 1.00 0.00 C ATOM 222 O MET A 27 7.329 2.128 -3.498 1.00 0.00 O ATOM 223 CB MET A 27 7.324 5.113 -4.252 1.00 0.00 C ATOM 224 CG MET A 27 6.723 6.495 -3.989 1.00 0.00 C ATOM 225 SD MET A 27 6.045 7.163 -5.530 1.00 0.00 S ATOM 226 CE MET A 27 4.363 6.527 -5.332 1.00 0.00 C ATOM 0 H MET A 27 5.911 4.286 -2.223 1.00 0.00 H new ATOM 0 HA MET A 27 5.572 4.279 -5.189 1.00 0.00 H new ATOM 0 HB2 MET A 27 8.025 4.853 -3.459 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.888 5.122 -5.185 1.00 0.00 H new ATOM 0 HG2 MET A 27 5.939 6.425 -3.235 1.00 0.00 H new ATOM 0 HG3 MET A 27 7.486 7.166 -3.594 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.646 7.316 -5.561 1.00 0.00 H new ATOM 0 HE2 MET A 27 4.209 5.689 -6.011 1.00 0.00 H new ATOM 0 HE3 MET A 27 4.219 6.193 -4.305 1.00 0.00 H new ATOM 236 N PRO A 28 6.748 2.129 -5.655 1.00 0.00 N ATOM 237 CA PRO A 28 7.285 0.788 -5.943 1.00 0.00 C ATOM 238 C PRO A 28 8.811 0.827 -5.952 1.00 0.00 C ATOM 239 O PRO A 28 9.470 -0.193 -5.998 1.00 0.00 O ATOM 240 CB PRO A 28 6.716 0.456 -7.326 1.00 0.00 C ATOM 241 CG PRO A 28 6.352 1.807 -7.981 1.00 0.00 C ATOM 242 CD PRO A 28 6.154 2.808 -6.827 1.00 0.00 C ATOM 0 HA PRO A 28 7.010 0.039 -5.200 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.447 -0.083 -7.928 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.838 -0.184 -7.242 1.00 0.00 H new ATOM 0 HG2 PRO A 28 7.144 2.139 -8.652 1.00 0.00 H new ATOM 0 HG3 PRO A 28 5.444 1.718 -8.578 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.651 3.756 -7.032 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.099 3.029 -6.667 1.00 0.00 H new ATOM 250 N ASP A 29 9.376 1.999 -5.883 1.00 0.00 N ATOM 251 CA ASP A 29 10.855 2.107 -5.857 1.00 0.00 C ATOM 252 C ASP A 29 11.326 1.986 -4.406 1.00 0.00 C ATOM 253 O ASP A 29 12.461 2.272 -4.090 1.00 0.00 O ATOM 254 CB ASP A 29 11.283 3.461 -6.425 1.00 0.00 C ATOM 255 CG ASP A 29 10.547 4.582 -5.689 1.00 0.00 C ATOM 256 OD1 ASP A 29 9.866 4.281 -4.723 1.00 0.00 O ATOM 257 OD2 ASP A 29 10.676 5.722 -6.104 1.00 0.00 O ATOM 0 H ASP A 29 8.874 2.886 -5.844 1.00 0.00 H new ATOM 0 HA ASP A 29 11.297 1.315 -6.461 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.360 3.588 -6.317 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.062 3.506 -7.491 1.00 0.00 H new ATOM 262 N LYS A 30 10.444 1.568 -3.527 1.00 0.00 N ATOM 263 CA LYS A 30 10.796 1.421 -2.094 1.00 0.00 C ATOM 264 C LYS A 30 10.724 2.787 -1.421 1.00 0.00 C ATOM 265 O LYS A 30 11.706 3.293 -0.916 1.00 0.00 O ATOM 266 CB LYS A 30 12.207 0.860 -1.965 1.00 0.00 C ATOM 267 CG LYS A 30 12.384 -0.320 -2.922 1.00 0.00 C ATOM 268 CD LYS A 30 13.775 -0.253 -3.558 1.00 0.00 C ATOM 269 CE LYS A 30 13.880 -1.293 -4.675 1.00 0.00 C ATOM 270 NZ LYS A 30 13.600 -0.644 -5.986 1.00 0.00 N ATOM 0 H LYS A 30 9.481 1.321 -3.755 1.00 0.00 H new ATOM 0 HA LYS A 30 10.096 0.737 -1.614 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.939 1.636 -2.190 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.388 0.539 -0.939 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.263 -1.260 -2.384 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.616 -0.294 -3.695 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.955 0.745 -3.958 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.540 -0.437 -2.804 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.876 -1.736 -4.682 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.172 -2.103 -4.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.786 -1.319 -6.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.604 -0.347 -6.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.214 0.188 -6.100 1.00 0.00 H new ATOM 284 N THR A 31 9.570 3.397 -1.413 1.00 0.00 N ATOM 285 CA THR A 31 9.458 4.734 -0.774 1.00 0.00 C ATOM 286 C THR A 31 8.050 4.941 -0.211 1.00 0.00 C ATOM 287 O THR A 31 7.170 4.119 -0.379 1.00 0.00 O ATOM 288 CB THR A 31 9.756 5.818 -1.806 1.00 0.00 C ATOM 289 OG1 THR A 31 10.665 5.312 -2.773 1.00 0.00 O ATOM 290 CG2 THR A 31 10.370 7.032 -1.108 1.00 0.00 C ATOM 0 H THR A 31 8.709 3.030 -1.818 1.00 0.00 H new ATOM 0 HA THR A 31 10.177 4.794 0.043 1.00 0.00 H new ATOM 0 HB THR A 31 8.831 6.116 -2.300 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.174 4.792 -3.443 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.583 7.806 -1.845 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.670 7.419 -0.367 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.296 6.738 -0.613 1.00 0.00 H new ATOM 298 N PHE A 32 7.840 6.043 0.453 1.00 0.00 N ATOM 299 CA PHE A 32 6.503 6.340 1.037 1.00 0.00 C ATOM 300 C PHE A 32 6.400 7.848 1.275 1.00 0.00 C ATOM 301 O PHE A 32 7.357 8.486 1.666 1.00 0.00 O ATOM 302 CB PHE A 32 6.347 5.600 2.368 1.00 0.00 C ATOM 303 CG PHE A 32 5.450 4.399 2.180 1.00 0.00 C ATOM 304 CD1 PHE A 32 5.984 3.195 1.709 1.00 0.00 C ATOM 305 CD2 PHE A 32 4.086 4.492 2.478 1.00 0.00 C ATOM 306 CE1 PHE A 32 5.152 2.082 1.535 1.00 0.00 C ATOM 307 CE2 PHE A 32 3.255 3.379 2.304 1.00 0.00 C ATOM 308 CZ PHE A 32 3.787 2.173 1.834 1.00 0.00 C ATOM 0 H PHE A 32 8.547 6.759 0.618 1.00 0.00 H new ATOM 0 HA PHE A 32 5.718 6.014 0.355 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.323 5.283 2.736 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.925 6.268 3.119 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.037 3.124 1.480 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.675 5.422 2.842 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.564 1.153 1.170 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.202 3.451 2.533 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.146 1.314 1.702 1.00 0.00 H new ATOM 318 N GLU A 33 5.258 8.430 1.036 1.00 0.00 N ATOM 319 CA GLU A 33 5.125 9.898 1.245 1.00 0.00 C ATOM 320 C GLU A 33 3.748 10.229 1.822 1.00 0.00 C ATOM 321 O GLU A 33 2.780 10.372 1.103 1.00 0.00 O ATOM 322 CB GLU A 33 5.300 10.620 -0.093 1.00 0.00 C ATOM 323 CG GLU A 33 5.679 12.081 0.159 1.00 0.00 C ATOM 324 CD GLU A 33 5.031 12.968 -0.906 1.00 0.00 C ATOM 325 OE1 GLU A 33 3.960 12.614 -1.371 1.00 0.00 O ATOM 326 OE2 GLU A 33 5.614 13.987 -1.236 1.00 0.00 O ATOM 0 H GLU A 33 4.417 7.956 0.707 1.00 0.00 H new ATOM 0 HA GLU A 33 5.892 10.226 1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.074 10.130 -0.684 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.377 10.567 -0.670 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.349 12.387 1.152 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.763 12.196 0.133 1.00 0.00 H new ATOM 333 N CYS A 34 3.659 10.371 3.116 1.00 0.00 N ATOM 334 CA CYS A 34 2.351 10.714 3.742 1.00 0.00 C ATOM 335 C CYS A 34 1.802 11.966 3.051 1.00 0.00 C ATOM 336 O CYS A 34 2.266 13.065 3.277 1.00 0.00 O ATOM 337 CB CYS A 34 2.578 10.988 5.229 1.00 0.00 C ATOM 338 SG CYS A 34 0.997 11.158 6.094 1.00 0.00 S ATOM 0 H CYS A 34 4.437 10.264 3.767 1.00 0.00 H new ATOM 0 HA CYS A 34 1.638 9.896 3.634 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.155 10.175 5.670 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.165 11.898 5.351 1.00 0.00 H new ATOM 343 N LEU A 35 0.836 11.803 2.189 1.00 0.00 N ATOM 344 CA LEU A 35 0.279 12.977 1.457 1.00 0.00 C ATOM 345 C LEU A 35 -0.548 13.865 2.392 1.00 0.00 C ATOM 346 O LEU A 35 -1.104 14.861 1.971 1.00 0.00 O ATOM 347 CB LEU A 35 -0.606 12.487 0.311 1.00 0.00 C ATOM 348 CG LEU A 35 0.207 11.578 -0.611 1.00 0.00 C ATOM 349 CD1 LEU A 35 -0.673 10.427 -1.101 1.00 0.00 C ATOM 350 CD2 LEU A 35 0.705 12.387 -1.811 1.00 0.00 C ATOM 0 H LEU A 35 0.407 10.906 1.959 1.00 0.00 H new ATOM 0 HA LEU A 35 1.109 13.565 1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.465 11.946 0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.996 13.336 -0.250 1.00 0.00 H new ATOM 0 HG LEU A 35 1.059 11.174 -0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.093 9.780 -1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.029 9.852 -0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.526 10.829 -1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.285 11.741 -2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.148 12.790 -2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.333 13.207 -1.462 1.00 0.00 H new ATOM 362 N PHE A 36 -0.642 13.535 3.651 1.00 0.00 N ATOM 363 CA PHE A 36 -1.442 14.398 4.567 1.00 0.00 C ATOM 364 C PHE A 36 -0.939 15.840 4.455 1.00 0.00 C ATOM 365 O PHE A 36 0.251 16.072 4.365 1.00 0.00 O ATOM 366 CB PHE A 36 -1.278 13.912 6.006 1.00 0.00 C ATOM 367 CG PHE A 36 -2.019 14.837 6.942 1.00 0.00 C ATOM 368 CD1 PHE A 36 -1.479 16.088 7.267 1.00 0.00 C ATOM 369 CD2 PHE A 36 -3.238 14.437 7.496 1.00 0.00 C ATOM 370 CE1 PHE A 36 -2.161 16.936 8.148 1.00 0.00 C ATOM 371 CE2 PHE A 36 -3.921 15.285 8.375 1.00 0.00 C ATOM 372 CZ PHE A 36 -3.382 16.534 8.702 1.00 0.00 C ATOM 0 H PHE A 36 -0.207 12.718 4.081 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.495 14.349 4.291 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.662 12.896 6.103 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.221 13.880 6.271 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.537 16.398 6.838 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.654 13.472 7.245 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.745 17.900 8.400 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.864 14.975 8.801 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.908 17.188 9.382 1.00 0.00 H new ATOM 382 N PRO A 37 -1.858 16.772 4.459 1.00 0.00 N ATOM 383 CA PRO A 37 -1.528 18.202 4.353 1.00 0.00 C ATOM 384 C PRO A 37 -1.006 18.722 5.688 1.00 0.00 C ATOM 385 O PRO A 37 -1.753 18.957 6.616 1.00 0.00 O ATOM 386 CB PRO A 37 -2.862 18.855 3.981 1.00 0.00 C ATOM 387 CG PRO A 37 -3.968 17.877 4.445 1.00 0.00 C ATOM 388 CD PRO A 37 -3.304 16.491 4.574 1.00 0.00 C ATOM 0 HA PRO A 37 -0.747 18.414 3.623 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.970 19.824 4.469 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.923 19.030 2.907 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.391 18.194 5.398 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.787 17.849 3.726 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.544 16.021 5.528 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.642 15.813 3.791 1.00 0.00 H new ATOM 396 N GLY A 38 0.279 18.887 5.787 1.00 0.00 N ATOM 397 CA GLY A 38 0.880 19.368 7.056 1.00 0.00 C ATOM 398 C GLY A 38 1.935 18.357 7.491 1.00 0.00 C ATOM 399 O GLY A 38 2.805 18.647 8.290 1.00 0.00 O ATOM 0 H GLY A 38 0.945 18.707 5.036 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.329 20.351 6.916 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.114 19.474 7.824 1.00 0.00 H new ATOM 403 N CYS A 39 1.867 17.165 6.958 1.00 0.00 N ATOM 404 CA CYS A 39 2.865 16.123 7.325 1.00 0.00 C ATOM 405 C CYS A 39 4.249 16.548 6.832 1.00 0.00 C ATOM 406 O CYS A 39 4.383 17.447 6.027 1.00 0.00 O ATOM 407 CB CYS A 39 2.484 14.798 6.666 1.00 0.00 C ATOM 408 SG CYS A 39 3.424 13.451 7.424 1.00 0.00 S ATOM 0 H CYS A 39 1.161 16.870 6.283 1.00 0.00 H new ATOM 0 HA CYS A 39 2.881 16.003 8.408 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.415 14.618 6.780 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.688 14.840 5.596 1.00 0.00 H new ATOM 413 N THR A 40 5.281 15.903 7.305 1.00 0.00 N ATOM 414 CA THR A 40 6.654 16.264 6.858 1.00 0.00 C ATOM 415 C THR A 40 7.587 15.070 7.070 1.00 0.00 C ATOM 416 O THR A 40 8.754 15.228 7.368 1.00 0.00 O ATOM 417 CB THR A 40 7.158 17.459 7.673 1.00 0.00 C ATOM 418 OG1 THR A 40 6.237 18.533 7.556 1.00 0.00 O ATOM 419 CG2 THR A 40 8.526 17.897 7.147 1.00 0.00 C ATOM 0 H THR A 40 5.231 15.142 7.982 1.00 0.00 H new ATOM 0 HA THR A 40 6.636 16.528 5.801 1.00 0.00 H new ATOM 0 HB THR A 40 7.249 17.172 8.721 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.688 18.407 6.754 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.884 18.747 7.728 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.232 17.072 7.239 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.438 18.184 6.099 1.00 0.00 H new ATOM 427 N LYS A 41 7.082 13.874 6.924 1.00 0.00 N ATOM 428 CA LYS A 41 7.944 12.674 7.123 1.00 0.00 C ATOM 429 C LYS A 41 7.673 11.648 6.019 1.00 0.00 C ATOM 430 O LYS A 41 6.540 11.373 5.676 1.00 0.00 O ATOM 431 CB LYS A 41 7.636 12.047 8.485 1.00 0.00 C ATOM 432 CG LYS A 41 8.835 12.235 9.417 1.00 0.00 C ATOM 433 CD LYS A 41 8.341 12.442 10.851 1.00 0.00 C ATOM 434 CE LYS A 41 7.702 11.151 11.365 1.00 0.00 C ATOM 435 NZ LYS A 41 8.576 10.546 12.410 1.00 0.00 N ATOM 0 H LYS A 41 6.112 13.677 6.676 1.00 0.00 H new ATOM 0 HA LYS A 41 8.991 12.975 7.084 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.749 12.510 8.918 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.416 10.986 8.367 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.487 11.363 9.368 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.426 13.093 9.097 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.172 12.730 11.495 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.617 13.256 10.883 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.715 11.360 11.778 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.561 10.450 10.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.142 9.668 12.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.508 10.332 12.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.688 11.215 13.198 1.00 0.00 H new ATOM 449 N THR A 42 8.708 11.077 5.465 1.00 0.00 N ATOM 450 CA THR A 42 8.519 10.061 4.388 1.00 0.00 C ATOM 451 C THR A 42 9.178 8.748 4.817 1.00 0.00 C ATOM 452 O THR A 42 10.124 8.741 5.580 1.00 0.00 O ATOM 453 CB THR A 42 9.166 10.560 3.096 1.00 0.00 C ATOM 454 OG1 THR A 42 10.554 10.258 3.117 1.00 0.00 O ATOM 455 CG2 THR A 42 8.969 12.071 2.975 1.00 0.00 C ATOM 0 H THR A 42 9.679 11.270 5.712 1.00 0.00 H new ATOM 0 HA THR A 42 7.455 9.899 4.218 1.00 0.00 H new ATOM 0 HB THR A 42 8.701 10.068 2.242 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.970 10.576 2.289 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.431 12.425 2.053 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.903 12.299 2.958 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.432 12.568 3.827 1.00 0.00 H new ATOM 463 N PHE A 43 8.682 7.636 4.347 1.00 0.00 N ATOM 464 CA PHE A 43 9.284 6.331 4.748 1.00 0.00 C ATOM 465 C PHE A 43 9.520 5.466 3.509 1.00 0.00 C ATOM 466 O PHE A 43 9.418 5.924 2.389 1.00 0.00 O ATOM 467 CB PHE A 43 8.332 5.604 5.702 1.00 0.00 C ATOM 468 CG PHE A 43 7.559 6.615 6.520 1.00 0.00 C ATOM 469 CD1 PHE A 43 6.567 7.398 5.914 1.00 0.00 C ATOM 470 CD2 PHE A 43 7.835 6.770 7.883 1.00 0.00 C ATOM 471 CE1 PHE A 43 5.855 8.337 6.670 1.00 0.00 C ATOM 472 CE2 PHE A 43 7.122 7.707 8.640 1.00 0.00 C ATOM 473 CZ PHE A 43 6.133 8.491 8.034 1.00 0.00 C ATOM 0 H PHE A 43 7.891 7.574 3.706 1.00 0.00 H new ATOM 0 HA PHE A 43 10.236 6.512 5.247 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.643 4.977 5.136 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.896 4.944 6.361 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.352 7.277 4.863 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.598 6.166 8.351 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.092 8.942 6.202 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.335 7.825 9.692 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.584 9.215 8.618 1.00 0.00 H new ATOM 483 N LYS A 44 9.838 4.214 3.704 1.00 0.00 N ATOM 484 CA LYS A 44 10.082 3.314 2.542 1.00 0.00 C ATOM 485 C LYS A 44 9.031 2.203 2.527 1.00 0.00 C ATOM 486 O LYS A 44 8.047 2.258 3.237 1.00 0.00 O ATOM 487 CB LYS A 44 11.478 2.695 2.662 1.00 0.00 C ATOM 488 CG LYS A 44 12.468 3.496 1.813 1.00 0.00 C ATOM 489 CD LYS A 44 13.764 3.704 2.598 1.00 0.00 C ATOM 490 CE LYS A 44 13.461 4.450 3.898 1.00 0.00 C ATOM 491 NZ LYS A 44 14.605 5.344 4.236 1.00 0.00 N ATOM 0 H LYS A 44 9.939 3.776 4.620 1.00 0.00 H new ATOM 0 HA LYS A 44 10.016 3.888 1.617 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.797 2.691 3.704 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.456 1.657 2.331 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.675 2.968 0.882 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.035 4.459 1.543 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.226 2.742 2.818 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.477 4.271 1.999 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.548 5.035 3.790 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.290 3.739 4.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.399 5.852 5.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.467 4.775 4.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.748 6.030 3.468 1.00 0.00 H new ATOM 505 N ARG A 45 9.232 1.193 1.725 1.00 0.00 N ATOM 506 CA ARG A 45 8.242 0.080 1.670 1.00 0.00 C ATOM 507 C ARG A 45 7.956 -0.414 3.090 1.00 0.00 C ATOM 508 O ARG A 45 8.778 -1.061 3.708 1.00 0.00 O ATOM 509 CB ARG A 45 8.811 -1.069 0.836 1.00 0.00 C ATOM 510 CG ARG A 45 8.002 -1.213 -0.455 1.00 0.00 C ATOM 511 CD ARG A 45 8.699 -2.208 -1.386 1.00 0.00 C ATOM 512 NE ARG A 45 8.055 -3.545 -1.256 1.00 0.00 N ATOM 513 CZ ARG A 45 6.780 -3.682 -1.502 1.00 0.00 C ATOM 514 NH1 ARG A 45 6.276 -3.214 -2.613 1.00 0.00 N ATOM 515 NH2 ARG A 45 6.010 -4.284 -0.638 1.00 0.00 N ATOM 0 H ARG A 45 10.037 1.090 1.107 1.00 0.00 H new ATOM 0 HA ARG A 45 7.318 0.436 1.214 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.858 -0.878 0.602 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.776 -1.998 1.405 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.993 -1.557 -0.228 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.906 -0.245 -0.946 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.637 -1.862 -2.418 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.758 -2.277 -1.136 1.00 0.00 H new ATOM 0 HE ARG A 45 8.610 -4.353 -0.975 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.878 -2.742 -3.287 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.280 -3.321 -2.806 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.404 -4.648 0.230 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.014 -4.391 -0.830 1.00 0.00 H new ATOM 529 N ARG A 46 6.801 -0.112 3.613 1.00 0.00 N ATOM 530 CA ARG A 46 6.470 -0.564 4.994 1.00 0.00 C ATOM 531 C ARG A 46 5.008 -0.237 5.305 1.00 0.00 C ATOM 532 O ARG A 46 4.323 0.396 4.526 1.00 0.00 O ATOM 533 CB ARG A 46 7.376 0.156 5.995 1.00 0.00 C ATOM 534 CG ARG A 46 8.334 -0.852 6.633 1.00 0.00 C ATOM 535 CD ARG A 46 8.447 -0.572 8.133 1.00 0.00 C ATOM 536 NE ARG A 46 9.489 0.466 8.368 1.00 0.00 N ATOM 537 CZ ARG A 46 10.588 0.155 9.002 1.00 0.00 C ATOM 538 NH1 ARG A 46 10.536 -0.601 10.065 1.00 0.00 N ATOM 539 NH2 ARG A 46 11.736 0.600 8.573 1.00 0.00 N ATOM 0 H ARG A 46 6.072 0.427 3.145 1.00 0.00 H new ATOM 0 HA ARG A 46 6.624 -1.640 5.069 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.940 0.941 5.492 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.774 0.639 6.765 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.973 -1.867 6.468 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.316 -0.783 6.165 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.487 -0.234 8.524 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.704 -1.487 8.666 1.00 0.00 H new ATOM 0 HE ARG A 46 9.345 1.419 8.034 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.638 -0.949 10.400 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.394 -0.844 10.560 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.776 1.191 7.743 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.594 0.357 9.068 1.00 0.00 H new ATOM 553 N TYR A 47 4.526 -0.663 6.440 1.00 0.00 N ATOM 554 CA TYR A 47 3.110 -0.378 6.807 1.00 0.00 C ATOM 555 C TYR A 47 3.084 0.199 8.216 1.00 0.00 C ATOM 556 O TYR A 47 2.113 0.065 8.933 1.00 0.00 O ATOM 557 CB TYR A 47 2.275 -1.664 6.805 1.00 0.00 C ATOM 558 CG TYR A 47 3.147 -2.853 6.485 1.00 0.00 C ATOM 559 CD1 TYR A 47 3.520 -3.107 5.165 1.00 0.00 C ATOM 560 CD2 TYR A 47 3.579 -3.696 7.514 1.00 0.00 C ATOM 561 CE1 TYR A 47 4.329 -4.210 4.866 1.00 0.00 C ATOM 562 CE2 TYR A 47 4.386 -4.802 7.219 1.00 0.00 C ATOM 563 CZ TYR A 47 4.761 -5.058 5.893 1.00 0.00 C ATOM 564 OH TYR A 47 5.557 -6.147 5.600 1.00 0.00 O ATOM 0 H TYR A 47 5.053 -1.197 7.131 1.00 0.00 H new ATOM 0 HA TYR A 47 2.694 0.320 6.081 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.804 -1.801 7.778 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.473 -1.584 6.071 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.185 -2.453 4.374 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.291 -3.494 8.535 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.619 -4.406 3.844 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.719 -5.456 8.011 1.00 0.00 H new ATOM 0 HH TYR A 47 5.768 -6.630 6.426 1.00 0.00 H new ATOM 574 N ASN A 48 4.143 0.831 8.625 1.00 0.00 N ATOM 575 CA ASN A 48 4.166 1.398 9.991 1.00 0.00 C ATOM 576 C ASN A 48 3.882 2.894 9.909 1.00 0.00 C ATOM 577 O ASN A 48 3.468 3.520 10.868 1.00 0.00 O ATOM 578 CB ASN A 48 5.541 1.168 10.625 1.00 0.00 C ATOM 579 CG ASN A 48 5.800 -0.335 10.753 1.00 0.00 C ATOM 580 OD1 ASN A 48 6.892 -0.799 10.493 1.00 0.00 O ATOM 581 ND2 ASN A 48 4.834 -1.120 11.146 1.00 0.00 N ATOM 0 H ASN A 48 4.989 0.978 8.074 1.00 0.00 H new ATOM 0 HA ASN A 48 3.408 0.911 10.604 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.317 1.631 10.015 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.584 1.640 11.607 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.996 -2.123 11.235 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.917 -0.730 11.364 1.00 0.00 H new ATOM 588 N ILE A 49 4.092 3.471 8.759 1.00 0.00 N ATOM 589 CA ILE A 49 3.824 4.927 8.608 1.00 0.00 C ATOM 590 C ILE A 49 2.307 5.134 8.586 1.00 0.00 C ATOM 591 O ILE A 49 1.805 6.149 9.020 1.00 0.00 O ATOM 592 CB ILE A 49 4.495 5.491 7.327 1.00 0.00 C ATOM 593 CG1 ILE A 49 3.449 5.902 6.282 1.00 0.00 C ATOM 594 CG2 ILE A 49 5.435 4.457 6.703 1.00 0.00 C ATOM 595 CD1 ILE A 49 2.734 4.663 5.747 1.00 0.00 C ATOM 0 H ILE A 49 4.436 3.000 7.922 1.00 0.00 H new ATOM 0 HA ILE A 49 4.254 5.473 9.448 1.00 0.00 H new ATOM 0 HB ILE A 49 5.065 6.370 7.627 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.726 6.586 6.727 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.931 6.437 5.463 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.893 4.876 5.807 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.213 4.194 7.419 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.869 3.564 6.438 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.993 4.962 5.006 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.461 3.995 5.285 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.237 4.146 6.568 1.00 0.00 H new ATOM 607 N ARG A 50 1.575 4.169 8.097 1.00 0.00 N ATOM 608 CA ARG A 50 0.095 4.310 8.072 1.00 0.00 C ATOM 609 C ARG A 50 -0.375 4.600 9.494 1.00 0.00 C ATOM 610 O ARG A 50 -1.195 5.467 9.725 1.00 0.00 O ATOM 611 CB ARG A 50 -0.541 3.011 7.572 1.00 0.00 C ATOM 612 CG ARG A 50 -0.878 3.145 6.086 1.00 0.00 C ATOM 613 CD ARG A 50 -0.174 2.037 5.300 1.00 0.00 C ATOM 614 NE ARG A 50 -1.086 0.867 5.167 1.00 0.00 N ATOM 615 CZ ARG A 50 -1.640 0.348 6.228 1.00 0.00 C ATOM 616 NH1 ARG A 50 -0.970 -0.485 6.975 1.00 0.00 N ATOM 617 NH2 ARG A 50 -2.868 0.664 6.542 1.00 0.00 N ATOM 0 H ARG A 50 1.937 3.295 7.716 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.197 5.120 7.403 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.143 2.176 7.727 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.444 2.793 8.142 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.956 3.080 5.940 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.564 4.122 5.718 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.113 2.402 4.314 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.743 1.741 5.810 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.277 0.472 4.246 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.011 -0.732 6.730 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.405 -0.890 7.804 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.392 1.316 5.958 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.303 0.259 7.371 1.00 0.00 H new ATOM 631 N SER A 51 0.161 3.895 10.453 1.00 0.00 N ATOM 632 CA SER A 51 -0.231 4.145 11.864 1.00 0.00 C ATOM 633 C SER A 51 0.239 5.545 12.247 1.00 0.00 C ATOM 634 O SER A 51 -0.459 6.293 12.902 1.00 0.00 O ATOM 635 CB SER A 51 0.433 3.111 12.774 1.00 0.00 C ATOM 636 OG SER A 51 -0.490 2.706 13.776 1.00 0.00 O ATOM 0 H SER A 51 0.853 3.158 10.318 1.00 0.00 H new ATOM 0 HA SER A 51 -1.312 4.066 11.975 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.755 2.249 12.190 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.325 3.535 13.235 1.00 0.00 H new ATOM 0 HG SER A 51 -0.068 2.042 14.360 1.00 0.00 H new ATOM 642 N HIS A 52 1.421 5.909 11.827 1.00 0.00 N ATOM 643 CA HIS A 52 1.939 7.268 12.147 1.00 0.00 C ATOM 644 C HIS A 52 0.870 8.295 11.771 1.00 0.00 C ATOM 645 O HIS A 52 0.610 9.233 12.498 1.00 0.00 O ATOM 646 CB HIS A 52 3.256 7.511 11.363 1.00 0.00 C ATOM 647 CG HIS A 52 3.224 8.844 10.647 1.00 0.00 C ATOM 648 ND1 HIS A 52 4.064 9.891 10.988 1.00 0.00 N ATOM 649 CD2 HIS A 52 2.411 9.326 9.652 1.00 0.00 C ATOM 650 CE1 HIS A 52 3.729 10.946 10.219 1.00 0.00 C ATOM 651 NE2 HIS A 52 2.722 10.654 9.389 1.00 0.00 N ATOM 0 H HIS A 52 2.049 5.323 11.276 1.00 0.00 H new ATOM 0 HA HIS A 52 2.157 7.361 13.211 1.00 0.00 H new ATOM 0 HB2 HIS A 52 4.102 7.483 12.049 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.406 6.709 10.640 1.00 0.00 H new ATOM 0 HD1 HIS A 52 4.801 9.868 11.692 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.643 8.757 9.148 1.00 0.00 H new ATOM 0 HE1 HIS A 52 4.215 11.909 10.267 1.00 0.00 H new ATOM 659 N ILE A 53 0.250 8.121 10.642 1.00 0.00 N ATOM 660 CA ILE A 53 -0.800 9.081 10.219 1.00 0.00 C ATOM 661 C ILE A 53 -1.944 9.016 11.220 1.00 0.00 C ATOM 662 O ILE A 53 -2.260 9.985 11.879 1.00 0.00 O ATOM 663 CB ILE A 53 -1.325 8.689 8.833 1.00 0.00 C ATOM 664 CG1 ILE A 53 -0.181 8.702 7.816 1.00 0.00 C ATOM 665 CG2 ILE A 53 -2.400 9.680 8.400 1.00 0.00 C ATOM 666 CD1 ILE A 53 -0.747 8.661 6.394 1.00 0.00 C ATOM 0 H ILE A 53 0.425 7.354 9.993 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.387 10.089 10.178 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.748 7.685 8.882 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.426 9.598 7.950 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.474 7.846 7.981 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.775 9.403 7.415 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.220 9.664 9.118 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.975 10.683 8.358 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.073 8.671 5.676 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.334 7.752 6.262 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.383 9.531 6.230 1.00 0.00 H new ATOM 678 N GLN A 54 -2.559 7.873 11.335 1.00 0.00 N ATOM 679 CA GLN A 54 -3.689 7.716 12.288 1.00 0.00 C ATOM 680 C GLN A 54 -3.374 8.462 13.579 1.00 0.00 C ATOM 681 O GLN A 54 -4.259 8.940 14.258 1.00 0.00 O ATOM 682 CB GLN A 54 -3.901 6.234 12.593 1.00 0.00 C ATOM 683 CG GLN A 54 -5.007 5.679 11.693 1.00 0.00 C ATOM 684 CD GLN A 54 -4.580 4.316 11.144 1.00 0.00 C ATOM 685 OE1 GLN A 54 -5.053 3.292 11.593 1.00 0.00 O ATOM 686 NE2 GLN A 54 -3.699 4.261 10.182 1.00 0.00 N ATOM 0 H GLN A 54 -2.324 7.034 10.804 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.596 8.126 11.844 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.975 5.683 12.431 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.171 6.103 13.641 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.935 5.582 12.257 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.203 6.369 10.872 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.302 5.121 9.805 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.408 3.358 9.808 1.00 0.00 H new ATOM 695 N THR A 55 -2.122 8.579 13.924 1.00 0.00 N ATOM 696 CA THR A 55 -1.786 9.313 15.169 1.00 0.00 C ATOM 697 C THR A 55 -1.907 10.807 14.908 1.00 0.00 C ATOM 698 O THR A 55 -2.550 11.524 15.650 1.00 0.00 O ATOM 699 CB THR A 55 -0.360 8.972 15.608 1.00 0.00 C ATOM 700 OG1 THR A 55 0.065 7.784 14.952 1.00 0.00 O ATOM 701 CG2 THR A 55 -0.324 8.762 17.122 1.00 0.00 C ATOM 0 H THR A 55 -1.329 8.203 13.404 1.00 0.00 H new ATOM 0 HA THR A 55 -2.473 9.023 15.964 1.00 0.00 H new ATOM 0 HB THR A 55 0.307 9.793 15.343 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.979 7.565 15.231 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.693 8.519 17.432 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.648 9.674 17.624 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.991 7.943 17.392 1.00 0.00 H new ATOM 709 N HIS A 56 -1.309 11.287 13.859 1.00 0.00 N ATOM 710 CA HIS A 56 -1.413 12.729 13.562 1.00 0.00 C ATOM 711 C HIS A 56 -2.597 12.963 12.628 1.00 0.00 C ATOM 712 O HIS A 56 -2.723 13.990 11.994 1.00 0.00 O ATOM 713 CB HIS A 56 -0.080 13.229 12.996 1.00 0.00 C ATOM 714 CG HIS A 56 -0.002 13.214 11.491 1.00 0.00 C ATOM 715 ND1 HIS A 56 -0.566 14.202 10.697 1.00 0.00 N ATOM 716 CD2 HIS A 56 0.742 12.442 10.647 1.00 0.00 C ATOM 717 CE1 HIS A 56 -0.122 14.005 9.437 1.00 0.00 C ATOM 718 NE2 HIS A 56 0.682 12.943 9.355 1.00 0.00 N ATOM 0 H HIS A 56 -0.755 10.742 13.198 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.604 13.306 14.467 1.00 0.00 H new ATOM 0 HB2 HIS A 56 0.092 14.246 13.347 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.725 12.613 13.396 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -1.198 14.940 11.007 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.299 11.565 10.943 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.386 14.631 8.597 1.00 0.00 H new ATOM 726 N LEU A 57 -3.500 12.015 12.590 1.00 0.00 N ATOM 727 CA LEU A 57 -4.720 12.162 11.761 1.00 0.00 C ATOM 728 C LEU A 57 -5.943 12.041 12.674 1.00 0.00 C ATOM 729 O LEU A 57 -6.994 12.583 12.392 1.00 0.00 O ATOM 730 CB LEU A 57 -4.778 11.069 10.690 1.00 0.00 C ATOM 731 CG LEU A 57 -4.472 11.679 9.323 1.00 0.00 C ATOM 732 CD1 LEU A 57 -5.553 12.702 8.962 1.00 0.00 C ATOM 733 CD2 LEU A 57 -3.108 12.370 9.374 1.00 0.00 C ATOM 0 H LEU A 57 -3.437 11.138 13.107 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.705 13.132 11.265 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.059 10.283 10.918 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.765 10.606 10.681 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.456 10.893 8.568 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.332 13.136 7.987 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.524 12.208 8.928 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.573 13.491 9.714 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.885 12.807 8.401 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.126 13.156 10.129 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.340 11.640 9.629 1.00 0.00 H new ATOM 745 N GLU A 58 -5.816 11.337 13.774 1.00 0.00 N ATOM 746 CA GLU A 58 -6.973 11.191 14.698 1.00 0.00 C ATOM 747 C GLU A 58 -6.938 12.316 15.737 1.00 0.00 C ATOM 748 O GLU A 58 -7.520 13.367 15.549 1.00 0.00 O ATOM 749 CB GLU A 58 -6.894 9.839 15.410 1.00 0.00 C ATOM 750 CG GLU A 58 -7.680 8.796 14.613 1.00 0.00 C ATOM 751 CD GLU A 58 -9.077 8.641 15.219 1.00 0.00 C ATOM 752 OE1 GLU A 58 -9.880 9.542 15.043 1.00 0.00 O ATOM 753 OE2 GLU A 58 -9.318 7.624 15.847 1.00 0.00 O ATOM 0 H GLU A 58 -4.963 10.861 14.066 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.901 11.247 14.129 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.854 9.528 15.509 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.299 9.923 16.418 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.756 9.101 13.569 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.157 7.840 14.628 1.00 0.00 H new ATOM 760 N ASP A 59 -6.259 12.105 16.831 1.00 0.00 N ATOM 761 CA ASP A 59 -6.184 13.161 17.879 1.00 0.00 C ATOM 762 C ASP A 59 -7.580 13.415 18.451 1.00 0.00 C ATOM 763 O ASP A 59 -8.305 14.272 17.988 1.00 0.00 O ATOM 764 CB ASP A 59 -5.643 14.454 17.264 1.00 0.00 C ATOM 765 CG ASP A 59 -4.960 15.288 18.349 1.00 0.00 C ATOM 766 OD1 ASP A 59 -4.411 14.698 19.264 1.00 0.00 O ATOM 767 OD2 ASP A 59 -4.996 16.503 18.244 1.00 0.00 O ATOM 0 H ASP A 59 -5.752 11.246 17.044 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.519 12.832 18.677 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.935 14.222 16.469 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.456 15.022 16.812 1.00 0.00 H new ATOM 772 N ARG A 60 -7.962 12.677 19.457 1.00 0.00 N ATOM 773 CA ARG A 60 -9.311 12.878 20.058 1.00 0.00 C ATOM 774 C ARG A 60 -10.384 12.664 18.989 1.00 0.00 C ATOM 775 O ARG A 60 -10.041 12.695 17.818 1.00 0.00 O ATOM 776 CB ARG A 60 -9.416 14.301 20.608 1.00 0.00 C ATOM 777 CG ARG A 60 -10.578 14.381 21.601 1.00 0.00 C ATOM 778 CD ARG A 60 -10.026 14.542 23.018 1.00 0.00 C ATOM 779 NE ARG A 60 -9.116 13.404 23.330 1.00 0.00 N ATOM 780 CZ ARG A 60 -9.513 12.452 24.130 1.00 0.00 C ATOM 781 NH1 ARG A 60 -10.679 11.894 23.954 1.00 0.00 N ATOM 782 NH2 ARG A 60 -8.741 12.059 25.107 1.00 0.00 N ATOM 783 OXT ARG A 60 -11.531 12.473 19.359 1.00 0.00 O ATOM 0 H ARG A 60 -7.399 11.944 19.889 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.458 12.163 20.867 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.484 14.582 21.099 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.572 15.007 19.792 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.225 15.222 21.353 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -11.188 13.480 21.537 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.488 15.486 23.105 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.845 14.574 23.737 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.183 13.369 22.919 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.282 12.202 23.191 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -10.988 11.150 24.580 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -7.829 12.496 25.244 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.049 11.315 25.733 1.00 0.00 H new TER 797 ARG A 60 HETATM 798 ZN ZN A 61 1.850 11.922 8.094 1.00 0.00 ZN