USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=10 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 Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= -0.388 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 162:sc= 0.168 (180deg=-0.548) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 78:sc= -0.141 USER MOD Single : A 40 THR OG1 : rot -48:sc= 0.679 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= -0.163 X(o=-0.16,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -8.25! C(o=-8.3!,f=-5.7!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -10.868 -2.301 14.158 1.00 0.00 N ATOM 2 CA THR A 14 -9.808 -2.697 13.187 1.00 0.00 C ATOM 3 C THR A 14 -9.255 -1.448 12.496 1.00 0.00 C ATOM 4 O THR A 14 -9.496 -1.216 11.328 1.00 0.00 O ATOM 5 CB THR A 14 -10.402 -3.639 12.137 1.00 0.00 C ATOM 6 OG1 THR A 14 -9.378 -4.055 11.245 1.00 0.00 O ATOM 7 CG2 THR A 14 -11.497 -2.912 11.356 1.00 0.00 C ATOM 0 HA THR A 14 -9.003 -3.206 13.718 1.00 0.00 H new ATOM 0 HB THR A 14 -10.831 -4.511 12.632 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.756 -4.660 10.573 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.919 -3.584 10.609 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.282 -2.593 12.041 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.072 -2.039 10.860 1.00 0.00 H new ATOM 17 N LEU A 15 -8.516 -0.643 13.208 1.00 0.00 N ATOM 18 CA LEU A 15 -7.947 0.589 12.591 1.00 0.00 C ATOM 19 C LEU A 15 -9.087 1.491 12.103 1.00 0.00 C ATOM 20 O LEU A 15 -10.111 1.009 11.662 1.00 0.00 O ATOM 21 CB LEU A 15 -7.061 0.201 11.405 1.00 0.00 C ATOM 22 CG LEU A 15 -5.845 -0.579 11.909 1.00 0.00 C ATOM 23 CD1 LEU A 15 -5.163 0.206 13.031 1.00 0.00 C ATOM 24 CD2 LEU A 15 -6.298 -1.940 12.441 1.00 0.00 C ATOM 0 H LEU A 15 -8.281 -0.785 14.190 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.352 1.125 13.331 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.627 -0.405 10.698 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.737 1.095 10.872 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.142 -0.724 11.089 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.297 -0.350 13.390 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.840 1.176 12.652 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.865 0.352 13.852 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.432 -2.497 12.800 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.002 -1.794 13.261 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.783 -2.500 11.642 1.00 0.00 H new ATOM 36 N PRO A 16 -8.873 2.780 12.200 1.00 0.00 N ATOM 37 CA PRO A 16 -9.864 3.784 11.776 1.00 0.00 C ATOM 38 C PRO A 16 -9.845 3.951 10.253 1.00 0.00 C ATOM 39 O PRO A 16 -8.822 3.805 9.614 1.00 0.00 O ATOM 40 CB PRO A 16 -9.395 5.066 12.469 1.00 0.00 C ATOM 41 CG PRO A 16 -7.890 4.872 12.773 1.00 0.00 C ATOM 42 CD PRO A 16 -7.624 3.355 12.740 1.00 0.00 C ATOM 0 HA PRO A 16 -10.886 3.511 12.037 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.553 5.934 11.829 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.957 5.240 13.386 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.276 5.389 12.035 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.635 5.289 13.747 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.769 3.114 12.108 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.405 2.967 13.735 1.00 0.00 H new ATOM 50 N ARG A 17 -10.972 4.260 9.667 1.00 0.00 N ATOM 51 CA ARG A 17 -11.022 4.440 8.192 1.00 0.00 C ATOM 52 C ARG A 17 -11.461 5.871 7.870 1.00 0.00 C ATOM 53 O ARG A 17 -12.470 6.092 7.232 1.00 0.00 O ATOM 54 CB ARG A 17 -12.025 3.451 7.591 1.00 0.00 C ATOM 55 CG ARG A 17 -11.381 2.718 6.412 1.00 0.00 C ATOM 56 CD ARG A 17 -10.303 1.766 6.931 1.00 0.00 C ATOM 57 NE ARG A 17 -8.959 2.296 6.571 1.00 0.00 N ATOM 58 CZ ARG A 17 -8.427 1.999 5.418 1.00 0.00 C ATOM 59 NH1 ARG A 17 -9.168 1.983 4.343 1.00 0.00 N ATOM 60 NH2 ARG A 17 -7.156 1.715 5.339 1.00 0.00 N ATOM 0 H ARG A 17 -11.860 4.395 10.150 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.034 4.258 7.769 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.342 2.734 8.348 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.918 3.980 7.259 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.138 2.161 5.859 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.944 3.436 5.718 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.386 1.660 8.013 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.442 0.774 6.502 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.454 2.892 7.227 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.162 2.203 4.406 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.753 1.751 3.441 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.578 1.725 6.179 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.740 1.483 4.437 1.00 0.00 H new ATOM 74 N GLY A 18 -10.712 6.845 8.312 1.00 0.00 N ATOM 75 CA GLY A 18 -11.089 8.260 8.036 1.00 0.00 C ATOM 76 C GLY A 18 -10.451 8.718 6.723 1.00 0.00 C ATOM 77 O GLY A 18 -11.130 8.972 5.748 1.00 0.00 O ATOM 0 H GLY A 18 -9.856 6.721 8.852 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.173 8.352 7.976 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.759 8.900 8.854 1.00 0.00 H new ATOM 81 N SER A 19 -9.151 8.833 6.690 1.00 0.00 N ATOM 82 CA SER A 19 -8.478 9.279 5.439 1.00 0.00 C ATOM 83 C SER A 19 -7.050 8.727 5.395 1.00 0.00 C ATOM 84 O SER A 19 -6.186 9.274 4.739 1.00 0.00 O ATOM 85 CB SER A 19 -8.437 10.807 5.400 1.00 0.00 C ATOM 86 OG SER A 19 -9.504 11.326 6.182 1.00 0.00 O ATOM 0 H SER A 19 -8.528 8.638 7.474 1.00 0.00 H new ATOM 0 HA SER A 19 -9.034 8.907 4.578 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.482 11.166 5.783 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.520 11.158 4.372 1.00 0.00 H new ATOM 0 HG SER A 19 -9.479 12.305 6.160 1.00 0.00 H new ATOM 92 N ILE A 20 -6.794 7.648 6.084 1.00 0.00 N ATOM 93 CA ILE A 20 -5.421 7.067 6.074 1.00 0.00 C ATOM 94 C ILE A 20 -5.009 6.779 4.633 1.00 0.00 C ATOM 95 O ILE A 20 -3.999 7.255 4.153 1.00 0.00 O ATOM 96 CB ILE A 20 -5.406 5.760 6.873 1.00 0.00 C ATOM 97 CG1 ILE A 20 -6.246 5.919 8.143 1.00 0.00 C ATOM 98 CG2 ILE A 20 -3.965 5.417 7.259 1.00 0.00 C ATOM 99 CD1 ILE A 20 -5.910 7.250 8.815 1.00 0.00 C ATOM 0 H ILE A 20 -7.475 7.144 6.652 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.725 7.775 6.525 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.824 4.960 6.262 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.307 5.882 7.897 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.049 5.094 8.828 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.952 4.487 7.828 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.365 5.299 6.357 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.550 6.220 7.868 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.508 7.362 9.719 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.852 7.269 9.076 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.130 8.069 8.130 1.00 0.00 H new ATOM 111 N ASP A 21 -5.788 6.001 3.945 1.00 0.00 N ATOM 112 CA ASP A 21 -5.457 5.670 2.530 1.00 0.00 C ATOM 113 C ASP A 21 -5.629 6.917 1.664 1.00 0.00 C ATOM 114 O ASP A 21 -5.209 6.956 0.525 1.00 0.00 O ATOM 115 CB ASP A 21 -6.394 4.568 2.031 1.00 0.00 C ATOM 116 CG ASP A 21 -5.642 3.236 1.990 1.00 0.00 C ATOM 117 OD1 ASP A 21 -4.500 3.236 1.565 1.00 0.00 O ATOM 118 OD2 ASP A 21 -6.224 2.239 2.384 1.00 0.00 O ATOM 0 H ASP A 21 -6.645 5.576 4.300 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.425 5.324 2.468 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.260 4.488 2.688 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.768 4.817 1.038 1.00 0.00 H new ATOM 123 N LYS A 22 -6.244 7.937 2.193 1.00 0.00 N ATOM 124 CA LYS A 22 -6.443 9.181 1.400 1.00 0.00 C ATOM 125 C LYS A 22 -5.172 10.032 1.456 1.00 0.00 C ATOM 126 O LYS A 22 -5.054 11.032 0.777 1.00 0.00 O ATOM 127 CB LYS A 22 -7.613 9.976 1.982 1.00 0.00 C ATOM 128 CG LYS A 22 -7.675 11.350 1.313 1.00 0.00 C ATOM 129 CD LYS A 22 -9.078 11.936 1.476 1.00 0.00 C ATOM 130 CE LYS A 22 -9.727 12.096 0.100 1.00 0.00 C ATOM 131 NZ LYS A 22 -11.210 12.076 0.245 1.00 0.00 N ATOM 0 H LYS A 22 -6.618 7.963 3.142 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.660 8.919 0.364 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.548 9.439 1.822 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.491 10.089 3.059 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.937 12.017 1.759 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.427 11.262 0.255 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.686 11.283 2.103 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.024 12.901 1.979 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.408 13.033 -0.358 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.405 11.292 -0.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.652 12.185 -0.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.506 11.171 0.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.509 12.858 0.862 1.00 0.00 H new ATOM 145 N TYR A 23 -4.220 9.644 2.262 1.00 0.00 N ATOM 146 CA TYR A 23 -2.962 10.437 2.358 1.00 0.00 C ATOM 147 C TYR A 23 -1.770 9.491 2.506 1.00 0.00 C ATOM 148 O TYR A 23 -0.858 9.741 3.270 1.00 0.00 O ATOM 149 CB TYR A 23 -3.032 11.364 3.572 1.00 0.00 C ATOM 150 CG TYR A 23 -3.952 12.521 3.269 1.00 0.00 C ATOM 151 CD1 TYR A 23 -3.647 13.402 2.225 1.00 0.00 C ATOM 152 CD2 TYR A 23 -5.109 12.715 4.033 1.00 0.00 C ATOM 153 CE1 TYR A 23 -4.501 14.476 1.943 1.00 0.00 C ATOM 154 CE2 TYR A 23 -5.962 13.788 3.752 1.00 0.00 C ATOM 155 CZ TYR A 23 -5.658 14.668 2.708 1.00 0.00 C ATOM 156 OH TYR A 23 -6.499 15.727 2.431 1.00 0.00 O ATOM 0 H TYR A 23 -4.259 8.815 2.856 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.841 11.033 1.453 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.394 10.815 4.441 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -2.036 11.732 3.820 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -2.753 13.254 1.637 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.343 12.036 4.840 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.267 15.155 1.136 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.855 13.937 4.341 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.256 15.715 3.054 1.00 0.00 H new ATOM 166 N VAL A 24 -1.769 8.407 1.782 1.00 0.00 N ATOM 167 CA VAL A 24 -0.633 7.447 1.881 1.00 0.00 C ATOM 168 C VAL A 24 -0.029 7.233 0.493 1.00 0.00 C ATOM 169 O VAL A 24 -0.683 6.753 -0.411 1.00 0.00 O ATOM 170 CB VAL A 24 -1.141 6.112 2.429 1.00 0.00 C ATOM 171 CG1 VAL A 24 -0.023 5.071 2.356 1.00 0.00 C ATOM 172 CG2 VAL A 24 -1.574 6.291 3.886 1.00 0.00 C ATOM 0 H VAL A 24 -2.505 8.144 1.126 1.00 0.00 H new ATOM 0 HA VAL A 24 0.127 7.848 2.551 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.990 5.776 1.834 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.385 4.120 2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.288 4.943 1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.827 5.407 2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.936 5.340 4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.724 6.628 4.479 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.371 7.033 3.940 1.00 0.00 H new ATOM 182 N LYS A 25 1.214 7.589 0.314 1.00 0.00 N ATOM 183 CA LYS A 25 1.854 7.407 -1.018 1.00 0.00 C ATOM 184 C LYS A 25 2.788 6.196 -0.979 1.00 0.00 C ATOM 185 O LYS A 25 3.980 6.323 -0.778 1.00 0.00 O ATOM 186 CB LYS A 25 2.656 8.662 -1.371 1.00 0.00 C ATOM 187 CG LYS A 25 2.889 8.711 -2.883 1.00 0.00 C ATOM 188 CD LYS A 25 1.563 8.986 -3.595 1.00 0.00 C ATOM 189 CE LYS A 25 1.806 9.101 -5.101 1.00 0.00 C ATOM 190 NZ LYS A 25 2.516 7.882 -5.584 1.00 0.00 N ATOM 0 H LYS A 25 1.812 7.997 1.032 1.00 0.00 H new ATOM 0 HA LYS A 25 1.084 7.242 -1.772 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.119 9.553 -1.046 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.611 8.656 -0.845 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.612 9.490 -3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.310 7.766 -3.228 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.855 8.183 -3.391 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.119 9.907 -3.216 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.857 9.214 -5.626 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.398 9.990 -5.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.415 7.808 -6.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.524 7.947 -5.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.104 7.039 -5.134 1.00 0.00 H new ATOM 204 N GLU A 26 2.255 5.021 -1.171 1.00 0.00 N ATOM 205 CA GLU A 26 3.111 3.802 -1.148 1.00 0.00 C ATOM 206 C GLU A 26 3.858 3.683 -2.477 1.00 0.00 C ATOM 207 O GLU A 26 3.331 3.190 -3.455 1.00 0.00 O ATOM 208 CB GLU A 26 2.231 2.567 -0.946 1.00 0.00 C ATOM 209 CG GLU A 26 1.140 2.878 0.080 1.00 0.00 C ATOM 210 CD GLU A 26 0.682 1.581 0.746 1.00 0.00 C ATOM 211 OE1 GLU A 26 0.231 0.699 0.033 1.00 0.00 O ATOM 212 OE2 GLU A 26 0.790 1.490 1.958 1.00 0.00 O ATOM 0 H GLU A 26 1.264 4.852 -1.343 1.00 0.00 H new ATOM 0 HA GLU A 26 3.829 3.875 -0.331 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.780 2.270 -1.893 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.837 1.728 -0.605 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.519 3.571 0.831 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.296 3.367 -0.407 1.00 0.00 H new ATOM 219 N MET A 27 5.081 4.134 -2.523 1.00 0.00 N ATOM 220 CA MET A 27 5.859 4.050 -3.790 1.00 0.00 C ATOM 221 C MET A 27 6.276 2.595 -4.040 1.00 0.00 C ATOM 222 O MET A 27 6.856 1.963 -3.176 1.00 0.00 O ATOM 223 CB MET A 27 7.111 4.923 -3.675 1.00 0.00 C ATOM 224 CG MET A 27 7.257 5.773 -4.939 1.00 0.00 C ATOM 225 SD MET A 27 5.793 6.818 -5.136 1.00 0.00 S ATOM 226 CE MET A 27 6.660 8.400 -5.268 1.00 0.00 C ATOM 0 H MET A 27 5.575 4.557 -1.737 1.00 0.00 H new ATOM 0 HA MET A 27 5.243 4.399 -4.619 1.00 0.00 H new ATOM 0 HB2 MET A 27 7.040 5.566 -2.798 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.993 4.297 -3.541 1.00 0.00 H new ATOM 0 HG2 MET A 27 8.152 6.391 -4.873 1.00 0.00 H new ATOM 0 HG3 MET A 27 7.378 5.130 -5.811 1.00 0.00 H new ATOM 0 HE1 MET A 27 5.934 9.203 -5.398 1.00 0.00 H new ATOM 0 HE2 MET A 27 7.237 8.576 -4.360 1.00 0.00 H new ATOM 0 HE3 MET A 27 7.332 8.376 -6.126 1.00 0.00 H new ATOM 236 N PRO A 28 5.979 2.104 -5.220 1.00 0.00 N ATOM 237 CA PRO A 28 6.318 0.724 -5.605 1.00 0.00 C ATOM 238 C PRO A 28 7.822 0.615 -5.850 1.00 0.00 C ATOM 239 O PRO A 28 8.367 -0.464 -5.965 1.00 0.00 O ATOM 240 CB PRO A 28 5.515 0.494 -6.889 1.00 0.00 C ATOM 241 CG PRO A 28 5.205 1.895 -7.463 1.00 0.00 C ATOM 242 CD PRO A 28 5.299 2.878 -6.280 1.00 0.00 C ATOM 0 HA PRO A 28 6.080 -0.017 -4.842 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.085 -0.101 -7.603 1.00 0.00 H new ATOM 0 HB3 PRO A 28 4.596 -0.053 -6.680 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.915 2.160 -8.246 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.212 1.920 -7.912 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.865 3.770 -6.547 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.312 3.211 -5.959 1.00 0.00 H new ATOM 250 N ASP A 29 8.495 1.730 -5.913 1.00 0.00 N ATOM 251 CA ASP A 29 9.964 1.700 -6.127 1.00 0.00 C ATOM 252 C ASP A 29 10.655 1.586 -4.766 1.00 0.00 C ATOM 253 O ASP A 29 11.843 1.802 -4.650 1.00 0.00 O ATOM 254 CB ASP A 29 10.407 2.988 -6.824 1.00 0.00 C ATOM 255 CG ASP A 29 10.154 4.181 -5.902 1.00 0.00 C ATOM 256 OD1 ASP A 29 9.668 3.963 -4.805 1.00 0.00 O ATOM 257 OD2 ASP A 29 10.450 5.293 -6.309 1.00 0.00 O ATOM 0 H ASP A 29 8.088 2.661 -5.825 1.00 0.00 H new ATOM 0 HA ASP A 29 10.233 0.848 -6.752 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.465 2.930 -7.079 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.860 3.115 -7.758 1.00 0.00 H new ATOM 262 N LYS A 30 9.905 1.253 -3.742 1.00 0.00 N ATOM 263 CA LYS A 30 10.472 1.115 -2.374 1.00 0.00 C ATOM 264 C LYS A 30 10.544 2.491 -1.713 1.00 0.00 C ATOM 265 O LYS A 30 11.607 2.985 -1.395 1.00 0.00 O ATOM 266 CB LYS A 30 11.865 0.504 -2.454 1.00 0.00 C ATOM 267 CG LYS A 30 11.845 -0.706 -3.389 1.00 0.00 C ATOM 268 CD LYS A 30 11.949 -1.991 -2.565 1.00 0.00 C ATOM 269 CE LYS A 30 13.339 -2.081 -1.930 1.00 0.00 C ATOM 270 NZ LYS A 30 14.260 -2.806 -2.850 1.00 0.00 N ATOM 0 H LYS A 30 8.904 1.069 -3.805 1.00 0.00 H new ATOM 0 HA LYS A 30 9.833 0.463 -1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.577 1.245 -2.818 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.198 0.203 -1.461 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.926 -0.711 -3.975 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.673 -0.647 -4.095 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.182 -2.001 -1.790 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.771 -2.858 -3.201 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.723 -1.081 -1.727 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.280 -2.600 -0.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.204 -2.867 -2.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.895 -3.765 -3.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.324 -2.293 -3.752 1.00 0.00 H new ATOM 284 N THR A 31 9.415 3.114 -1.506 1.00 0.00 N ATOM 285 CA THR A 31 9.412 4.459 -0.865 1.00 0.00 C ATOM 286 C THR A 31 8.022 4.753 -0.294 1.00 0.00 C ATOM 287 O THR A 31 7.098 3.981 -0.458 1.00 0.00 O ATOM 288 CB THR A 31 9.768 5.518 -1.905 1.00 0.00 C ATOM 289 OG1 THR A 31 10.597 4.942 -2.905 1.00 0.00 O ATOM 290 CG2 THR A 31 10.508 6.671 -1.229 1.00 0.00 C ATOM 0 H THR A 31 8.495 2.749 -1.753 1.00 0.00 H new ATOM 0 HA THR A 31 10.146 4.477 -0.059 1.00 0.00 H new ATOM 0 HB THR A 31 8.854 5.895 -2.365 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.047 4.416 -3.522 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.762 7.426 -1.973 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.870 7.114 -0.464 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.421 6.296 -0.767 1.00 0.00 H new ATOM 298 N PHE A 32 7.868 5.865 0.371 1.00 0.00 N ATOM 299 CA PHE A 32 6.540 6.216 0.952 1.00 0.00 C ATOM 300 C PHE A 32 6.451 7.734 1.116 1.00 0.00 C ATOM 301 O PHE A 32 7.448 8.405 1.303 1.00 0.00 O ATOM 302 CB PHE A 32 6.382 5.543 2.317 1.00 0.00 C ATOM 303 CG PHE A 32 5.679 4.217 2.147 1.00 0.00 C ATOM 304 CD1 PHE A 32 6.417 3.066 1.847 1.00 0.00 C ATOM 305 CD2 PHE A 32 4.288 4.137 2.292 1.00 0.00 C ATOM 306 CE1 PHE A 32 5.766 1.837 1.690 1.00 0.00 C ATOM 307 CE2 PHE A 32 3.636 2.908 2.136 1.00 0.00 C ATOM 308 CZ PHE A 32 4.375 1.758 1.835 1.00 0.00 C ATOM 0 H PHE A 32 8.607 6.548 0.538 1.00 0.00 H new ATOM 0 HA PHE A 32 5.747 5.871 0.289 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.359 5.392 2.775 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.811 6.186 2.987 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.490 3.126 1.737 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.718 5.024 2.524 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.336 0.950 1.457 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.564 2.847 2.248 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.873 0.810 1.715 1.00 0.00 H new ATOM 318 N GLU A 33 5.270 8.285 1.048 1.00 0.00 N ATOM 319 CA GLU A 33 5.134 9.760 1.196 1.00 0.00 C ATOM 320 C GLU A 33 3.749 10.105 1.747 1.00 0.00 C ATOM 321 O GLU A 33 2.757 10.046 1.046 1.00 0.00 O ATOM 322 CB GLU A 33 5.317 10.424 -0.170 1.00 0.00 C ATOM 323 CG GLU A 33 6.400 11.498 -0.074 1.00 0.00 C ATOM 324 CD GLU A 33 7.109 11.630 -1.423 1.00 0.00 C ATOM 325 OE1 GLU A 33 7.818 10.706 -1.790 1.00 0.00 O ATOM 326 OE2 GLU A 33 6.932 12.650 -2.067 1.00 0.00 O ATOM 0 H GLU A 33 4.397 7.779 0.897 1.00 0.00 H new ATOM 0 HA GLU A 33 5.894 10.123 1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.595 9.678 -0.915 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.378 10.868 -0.499 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.957 12.452 0.211 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.119 11.236 0.703 1.00 0.00 H new ATOM 333 N CYS A 34 3.678 10.479 2.995 1.00 0.00 N ATOM 334 CA CYS A 34 2.364 10.847 3.594 1.00 0.00 C ATOM 335 C CYS A 34 1.828 12.087 2.874 1.00 0.00 C ATOM 336 O CYS A 34 2.374 13.167 2.989 1.00 0.00 O ATOM 337 CB CYS A 34 2.570 11.149 5.079 1.00 0.00 C ATOM 338 SG CYS A 34 0.975 11.328 5.917 1.00 0.00 S ATOM 0 H CYS A 34 4.476 10.546 3.627 1.00 0.00 H new ATOM 0 HA CYS A 34 1.649 10.031 3.488 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.143 10.347 5.543 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.152 12.064 5.193 1.00 0.00 H new ATOM 343 N LEU A 35 0.776 11.939 2.114 1.00 0.00 N ATOM 344 CA LEU A 35 0.220 13.106 1.366 1.00 0.00 C ATOM 345 C LEU A 35 -0.589 14.010 2.301 1.00 0.00 C ATOM 346 O LEU A 35 -1.239 14.939 1.862 1.00 0.00 O ATOM 347 CB LEU A 35 -0.685 12.603 0.241 1.00 0.00 C ATOM 348 CG LEU A 35 0.083 11.605 -0.626 1.00 0.00 C ATOM 349 CD1 LEU A 35 -0.713 10.303 -0.734 1.00 0.00 C ATOM 350 CD2 LEU A 35 0.285 12.195 -2.023 1.00 0.00 C ATOM 0 H LEU A 35 0.277 11.060 1.978 1.00 0.00 H new ATOM 0 HA LEU A 35 1.047 13.681 0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.573 12.129 0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.027 13.441 -0.367 1.00 0.00 H new ATOM 0 HG LEU A 35 1.053 11.401 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.165 9.592 -1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.859 9.882 0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.683 10.506 -1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.832 11.485 -2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.685 12.399 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.852 13.123 -1.948 1.00 0.00 H new ATOM 362 N PHE A 36 -0.559 13.761 3.581 1.00 0.00 N ATOM 363 CA PHE A 36 -1.331 14.626 4.515 1.00 0.00 C ATOM 364 C PHE A 36 -0.749 16.043 4.479 1.00 0.00 C ATOM 365 O PHE A 36 0.454 16.213 4.436 1.00 0.00 O ATOM 366 CB PHE A 36 -1.228 14.067 5.935 1.00 0.00 C ATOM 367 CG PHE A 36 -2.142 14.845 6.851 1.00 0.00 C ATOM 368 CD1 PHE A 36 -1.819 16.159 7.215 1.00 0.00 C ATOM 369 CD2 PHE A 36 -3.313 14.252 7.338 1.00 0.00 C ATOM 370 CE1 PHE A 36 -2.668 16.879 8.064 1.00 0.00 C ATOM 371 CE2 PHE A 36 -4.162 14.973 8.187 1.00 0.00 C ATOM 372 CZ PHE A 36 -3.839 16.285 8.551 1.00 0.00 C ATOM 0 H PHE A 36 -0.037 13.001 4.018 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.378 14.650 4.214 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.501 13.012 5.942 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.199 14.133 6.289 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.915 16.616 6.841 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.562 13.239 7.059 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.420 17.892 8.343 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.066 14.516 8.561 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.493 16.840 9.208 1.00 0.00 H new ATOM 382 N PRO A 37 -1.618 17.022 4.499 1.00 0.00 N ATOM 383 CA PRO A 37 -1.209 18.436 4.467 1.00 0.00 C ATOM 384 C PRO A 37 -0.634 18.850 5.823 1.00 0.00 C ATOM 385 O PRO A 37 -1.314 18.839 6.831 1.00 0.00 O ATOM 386 CB PRO A 37 -2.507 19.183 4.152 1.00 0.00 C ATOM 387 CG PRO A 37 -3.662 18.241 4.563 1.00 0.00 C ATOM 388 CD PRO A 37 -3.079 16.814 4.562 1.00 0.00 C ATOM 0 HA PRO A 37 -0.428 18.646 3.736 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.558 20.123 4.702 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.566 19.430 3.092 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.045 18.503 5.549 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.496 18.321 3.865 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.365 16.266 5.460 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.437 16.238 3.709 1.00 0.00 H new ATOM 396 N GLY A 38 0.620 19.200 5.852 1.00 0.00 N ATOM 397 CA GLY A 38 1.257 19.600 7.136 1.00 0.00 C ATOM 398 C GLY A 38 2.242 18.509 7.553 1.00 0.00 C ATOM 399 O GLY A 38 3.102 18.718 8.386 1.00 0.00 O ATOM 0 H GLY A 38 1.234 19.226 5.038 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.774 20.553 7.021 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.499 19.740 7.907 1.00 0.00 H new ATOM 403 N CYS A 39 2.121 17.342 6.976 1.00 0.00 N ATOM 404 CA CYS A 39 3.048 16.233 7.334 1.00 0.00 C ATOM 405 C CYS A 39 4.469 16.585 6.891 1.00 0.00 C ATOM 406 O CYS A 39 4.682 17.498 6.119 1.00 0.00 O ATOM 407 CB CYS A 39 2.604 14.953 6.625 1.00 0.00 C ATOM 408 SG CYS A 39 3.409 13.526 7.391 1.00 0.00 S ATOM 0 H CYS A 39 1.420 17.111 6.272 1.00 0.00 H new ATOM 0 HA CYS A 39 3.030 16.083 8.414 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.521 14.848 6.686 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.860 15.004 5.567 1.00 0.00 H new ATOM 413 N THR A 40 5.442 15.861 7.371 1.00 0.00 N ATOM 414 CA THR A 40 6.849 16.145 6.979 1.00 0.00 C ATOM 415 C THR A 40 7.705 14.905 7.249 1.00 0.00 C ATOM 416 O THR A 40 8.881 15.000 7.537 1.00 0.00 O ATOM 417 CB THR A 40 7.382 17.324 7.798 1.00 0.00 C ATOM 418 OG1 THR A 40 8.670 17.685 7.320 1.00 0.00 O ATOM 419 CG2 THR A 40 7.473 16.926 9.271 1.00 0.00 C ATOM 0 H THR A 40 5.322 15.083 8.020 1.00 0.00 H new ATOM 0 HA THR A 40 6.891 16.396 5.919 1.00 0.00 H new ATOM 0 HB THR A 40 6.706 18.173 7.697 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.225 16.882 7.236 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.853 17.766 9.852 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.483 16.650 9.635 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.148 16.077 9.377 1.00 0.00 H new ATOM 427 N LYS A 41 7.120 13.740 7.158 1.00 0.00 N ATOM 428 CA LYS A 41 7.895 12.493 7.409 1.00 0.00 C ATOM 429 C LYS A 41 7.633 11.493 6.281 1.00 0.00 C ATOM 430 O LYS A 41 6.505 11.155 5.987 1.00 0.00 O ATOM 431 CB LYS A 41 7.457 11.880 8.742 1.00 0.00 C ATOM 432 CG LYS A 41 8.043 12.693 9.899 1.00 0.00 C ATOM 433 CD LYS A 41 7.229 12.433 11.169 1.00 0.00 C ATOM 434 CE LYS A 41 7.034 10.927 11.352 1.00 0.00 C ATOM 435 NZ LYS A 41 6.854 10.622 12.800 1.00 0.00 N ATOM 0 H LYS A 41 6.138 13.600 6.920 1.00 0.00 H new ATOM 0 HA LYS A 41 8.959 12.729 7.447 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.369 11.867 8.808 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.792 10.845 8.805 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.085 12.418 10.060 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.028 13.755 9.655 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.742 12.852 12.035 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.261 12.930 11.101 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.164 10.591 10.788 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.896 10.387 10.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.721 9.598 12.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.697 10.929 13.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.018 11.126 13.160 1.00 0.00 H new ATOM 449 N THR A 42 8.670 11.015 5.649 1.00 0.00 N ATOM 450 CA THR A 42 8.484 10.033 4.542 1.00 0.00 C ATOM 451 C THR A 42 9.015 8.669 4.985 1.00 0.00 C ATOM 452 O THR A 42 9.633 8.541 6.022 1.00 0.00 O ATOM 453 CB THR A 42 9.252 10.505 3.308 1.00 0.00 C ATOM 454 OG1 THR A 42 10.615 10.120 3.423 1.00 0.00 O ATOM 455 CG2 THR A 42 9.154 12.026 3.197 1.00 0.00 C ATOM 0 H THR A 42 9.639 11.262 5.851 1.00 0.00 H new ATOM 0 HA THR A 42 7.425 9.951 4.298 1.00 0.00 H new ATOM 0 HB THR A 42 8.822 10.050 2.415 1.00 0.00 H new ATOM 0 HG1 THR A 42 11.108 10.421 2.631 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.702 12.363 2.317 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.108 12.318 3.107 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.583 12.484 4.088 1.00 0.00 H new ATOM 463 N PHE A 43 8.780 7.650 4.207 1.00 0.00 N ATOM 464 CA PHE A 43 9.275 6.297 4.589 1.00 0.00 C ATOM 465 C PHE A 43 9.619 5.503 3.329 1.00 0.00 C ATOM 466 O PHE A 43 9.742 6.051 2.252 1.00 0.00 O ATOM 467 CB PHE A 43 8.189 5.561 5.377 1.00 0.00 C ATOM 468 CG PHE A 43 7.441 6.544 6.246 1.00 0.00 C ATOM 469 CD1 PHE A 43 6.551 7.456 5.666 1.00 0.00 C ATOM 470 CD2 PHE A 43 7.638 6.542 7.632 1.00 0.00 C ATOM 471 CE1 PHE A 43 5.857 8.366 6.473 1.00 0.00 C ATOM 472 CE2 PHE A 43 6.944 7.453 8.439 1.00 0.00 C ATOM 473 CZ PHE A 43 6.054 8.364 7.859 1.00 0.00 C ATOM 0 H PHE A 43 8.268 7.694 3.326 1.00 0.00 H new ATOM 0 HA PHE A 43 10.167 6.398 5.207 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.500 5.067 4.692 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.637 4.782 5.994 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.400 7.458 4.597 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.325 5.838 8.079 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.170 9.069 6.026 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.096 7.452 9.508 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.519 9.066 8.481 1.00 0.00 H new ATOM 483 N LYS A 44 9.773 4.213 3.455 1.00 0.00 N ATOM 484 CA LYS A 44 10.108 3.384 2.263 1.00 0.00 C ATOM 485 C LYS A 44 9.906 1.905 2.595 1.00 0.00 C ATOM 486 O LYS A 44 10.404 1.407 3.585 1.00 0.00 O ATOM 487 CB LYS A 44 11.567 3.624 1.868 1.00 0.00 C ATOM 488 CG LYS A 44 12.485 3.219 3.023 1.00 0.00 C ATOM 489 CD LYS A 44 13.441 4.370 3.345 1.00 0.00 C ATOM 490 CE LYS A 44 14.216 4.048 4.624 1.00 0.00 C ATOM 491 NZ LYS A 44 14.532 5.313 5.344 1.00 0.00 N ATOM 0 H LYS A 44 9.681 3.698 4.331 1.00 0.00 H new ATOM 0 HA LYS A 44 9.457 3.661 1.434 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.812 3.048 0.976 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.719 4.675 1.620 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.891 2.969 3.902 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.051 2.327 2.756 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.133 4.524 2.517 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.882 5.297 3.470 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.627 3.390 5.263 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.136 3.516 4.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.059 5.095 6.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.110 5.925 4.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.648 5.803 5.588 1.00 0.00 H new ATOM 505 N ARG A 45 9.177 1.199 1.774 1.00 0.00 N ATOM 506 CA ARG A 45 8.942 -0.247 2.041 1.00 0.00 C ATOM 507 C ARG A 45 8.578 -0.445 3.513 1.00 0.00 C ATOM 508 O ARG A 45 8.961 -1.417 4.132 1.00 0.00 O ATOM 509 CB ARG A 45 10.214 -1.038 1.721 1.00 0.00 C ATOM 510 CG ARG A 45 9.933 -2.024 0.586 1.00 0.00 C ATOM 511 CD ARG A 45 9.407 -3.337 1.170 1.00 0.00 C ATOM 512 NE ARG A 45 10.491 -4.358 1.151 1.00 0.00 N ATOM 513 CZ ARG A 45 10.218 -5.594 0.830 1.00 0.00 C ATOM 514 NH1 ARG A 45 9.695 -5.865 -0.335 1.00 0.00 N ATOM 515 NH2 ARG A 45 10.468 -6.557 1.673 1.00 0.00 N ATOM 0 H ARG A 45 8.734 1.562 0.930 1.00 0.00 H new ATOM 0 HA ARG A 45 8.124 -0.602 1.414 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.015 -0.357 1.435 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.553 -1.575 2.607 1.00 0.00 H new ATOM 0 HG2 ARG A 45 9.202 -1.602 -0.104 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.843 -2.206 0.015 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.059 -3.180 2.191 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.552 -3.688 0.592 1.00 0.00 H new ATOM 0 HE ARG A 45 11.447 -4.092 1.389 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.500 -5.111 -0.994 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.482 -6.830 -0.586 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.877 -6.345 2.583 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.255 -7.522 1.422 1.00 0.00 H new ATOM 529 N ARG A 46 7.842 0.472 4.082 1.00 0.00 N ATOM 530 CA ARG A 46 7.459 0.332 5.514 1.00 0.00 C ATOM 531 C ARG A 46 6.010 0.788 5.709 1.00 0.00 C ATOM 532 O ARG A 46 5.473 1.538 4.919 1.00 0.00 O ATOM 533 CB ARG A 46 8.386 1.193 6.374 1.00 0.00 C ATOM 534 CG ARG A 46 9.226 0.292 7.282 1.00 0.00 C ATOM 535 CD ARG A 46 10.687 0.332 6.829 1.00 0.00 C ATOM 536 NE ARG A 46 11.155 -1.052 6.538 1.00 0.00 N ATOM 537 CZ ARG A 46 12.399 -1.264 6.204 1.00 0.00 C ATOM 538 NH1 ARG A 46 13.308 -1.409 7.130 1.00 0.00 N ATOM 539 NH2 ARG A 46 12.734 -1.333 4.944 1.00 0.00 N ATOM 0 H ARG A 46 7.491 1.309 3.617 1.00 0.00 H new ATOM 0 HA ARG A 46 7.550 -0.713 5.812 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.036 1.793 5.737 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.800 1.888 6.976 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.146 0.624 8.317 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.851 -0.731 7.246 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.786 0.955 5.940 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.307 0.781 7.605 1.00 0.00 H new ATOM 0 HE ARG A 46 10.503 -1.834 6.600 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.046 -1.357 8.114 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.280 -1.575 6.869 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.024 -1.221 4.221 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.706 -1.499 4.683 1.00 0.00 H new ATOM 553 N TYR A 47 5.377 0.338 6.759 1.00 0.00 N ATOM 554 CA TYR A 47 3.963 0.738 7.012 1.00 0.00 C ATOM 555 C TYR A 47 3.914 1.556 8.298 1.00 0.00 C ATOM 556 O TYR A 47 2.887 1.663 8.938 1.00 0.00 O ATOM 557 CB TYR A 47 3.075 -0.503 7.188 1.00 0.00 C ATOM 558 CG TYR A 47 3.910 -1.759 7.102 1.00 0.00 C ATOM 559 CD1 TYR A 47 4.498 -2.285 8.258 1.00 0.00 C ATOM 560 CD2 TYR A 47 4.100 -2.390 5.869 1.00 0.00 C ATOM 561 CE1 TYR A 47 5.275 -3.447 8.181 1.00 0.00 C ATOM 562 CE2 TYR A 47 4.877 -3.552 5.791 1.00 0.00 C ATOM 563 CZ TYR A 47 5.464 -4.081 6.947 1.00 0.00 C ATOM 564 OH TYR A 47 6.230 -5.226 6.870 1.00 0.00 O ATOM 0 H TYR A 47 5.779 -0.291 7.454 1.00 0.00 H new ATOM 0 HA TYR A 47 3.599 1.319 6.164 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.566 -0.461 8.151 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.302 -0.518 6.419 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.352 -1.795 9.209 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.648 -1.981 4.977 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.728 -3.854 9.073 1.00 0.00 H new ATOM 0 HE2 TYR A 47 5.024 -4.040 4.839 1.00 0.00 H new ATOM 0 HH TYR A 47 6.259 -5.539 5.942 1.00 0.00 H new ATOM 574 N ASN A 48 5.018 2.122 8.690 1.00 0.00 N ATOM 575 CA ASN A 48 5.032 2.919 9.945 1.00 0.00 C ATOM 576 C ASN A 48 4.158 4.161 9.779 1.00 0.00 C ATOM 577 O ASN A 48 3.909 4.881 10.725 1.00 0.00 O ATOM 578 CB ASN A 48 6.464 3.339 10.274 1.00 0.00 C ATOM 579 CG ASN A 48 7.163 2.211 11.035 1.00 0.00 C ATOM 580 OD1 ASN A 48 7.611 2.401 12.149 1.00 0.00 O ATOM 581 ND2 ASN A 48 7.275 1.037 10.478 1.00 0.00 N ATOM 0 H ASN A 48 5.909 2.068 8.197 1.00 0.00 H new ATOM 0 HA ASN A 48 4.639 2.310 10.759 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.008 3.565 9.357 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.459 4.249 10.874 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.739 0.278 10.977 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.899 0.878 9.543 1.00 0.00 H new ATOM 588 N ILE A 49 3.678 4.416 8.593 1.00 0.00 N ATOM 589 CA ILE A 49 2.810 5.607 8.397 1.00 0.00 C ATOM 590 C ILE A 49 1.397 5.251 8.812 1.00 0.00 C ATOM 591 O ILE A 49 0.787 5.930 9.588 1.00 0.00 O ATOM 592 CB ILE A 49 2.798 6.050 6.937 1.00 0.00 C ATOM 593 CG1 ILE A 49 4.151 5.758 6.310 1.00 0.00 C ATOM 594 CG2 ILE A 49 2.516 7.551 6.860 1.00 0.00 C ATOM 595 CD1 ILE A 49 4.092 4.385 5.653 1.00 0.00 C ATOM 0 H ILE A 49 3.848 3.855 7.758 1.00 0.00 H new ATOM 0 HA ILE A 49 3.201 6.425 9.002 1.00 0.00 H new ATOM 0 HB ILE A 49 2.021 5.507 6.399 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.399 6.521 5.572 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.933 5.782 7.069 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.508 7.867 5.817 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.546 7.763 7.311 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.293 8.095 7.397 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.056 4.158 5.197 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.860 3.631 6.405 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.318 4.382 4.886 1.00 0.00 H new ATOM 607 N ARG A 50 0.857 4.186 8.320 1.00 0.00 N ATOM 608 CA ARG A 50 -0.526 3.853 8.741 1.00 0.00 C ATOM 609 C ARG A 50 -0.602 3.930 10.262 1.00 0.00 C ATOM 610 O ARG A 50 -1.648 4.151 10.829 1.00 0.00 O ATOM 611 CB ARG A 50 -0.911 2.452 8.259 1.00 0.00 C ATOM 612 CG ARG A 50 -0.855 2.402 6.731 1.00 0.00 C ATOM 613 CD ARG A 50 0.007 1.217 6.291 1.00 0.00 C ATOM 614 NE ARG A 50 -0.373 0.814 4.908 1.00 0.00 N ATOM 615 CZ ARG A 50 -0.835 -0.386 4.682 1.00 0.00 C ATOM 616 NH1 ARG A 50 -2.035 -0.708 5.082 1.00 0.00 N ATOM 617 NH2 ARG A 50 -0.097 -1.263 4.058 1.00 0.00 N ATOM 0 H ARG A 50 1.295 3.543 7.661 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.225 4.563 8.299 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.232 1.711 8.682 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.914 2.200 8.605 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.861 2.305 6.323 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.441 3.332 6.341 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.062 1.488 6.325 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.129 0.380 6.976 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.272 1.475 4.138 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.611 -0.022 5.571 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.397 -1.645 4.906 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.841 -1.011 3.747 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.458 -2.200 3.882 1.00 0.00 H new ATOM 631 N SER A 51 0.507 3.793 10.926 1.00 0.00 N ATOM 632 CA SER A 51 0.493 3.909 12.403 1.00 0.00 C ATOM 633 C SER A 51 0.797 5.362 12.759 1.00 0.00 C ATOM 634 O SER A 51 0.303 5.897 13.732 1.00 0.00 O ATOM 635 CB SER A 51 1.560 2.990 12.998 1.00 0.00 C ATOM 636 OG SER A 51 1.262 2.748 14.367 1.00 0.00 O ATOM 0 H SER A 51 1.419 3.606 10.510 1.00 0.00 H new ATOM 0 HA SER A 51 -0.478 3.617 12.804 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.593 2.049 12.449 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.545 3.448 12.904 1.00 0.00 H new ATOM 0 HG SER A 51 1.944 2.158 14.751 1.00 0.00 H new ATOM 642 N HIS A 52 1.605 6.004 11.961 1.00 0.00 N ATOM 643 CA HIS A 52 1.947 7.428 12.220 1.00 0.00 C ATOM 644 C HIS A 52 0.752 8.315 11.845 1.00 0.00 C ATOM 645 O HIS A 52 0.298 9.113 12.638 1.00 0.00 O ATOM 646 CB HIS A 52 3.215 7.793 11.411 1.00 0.00 C ATOM 647 CG HIS A 52 3.033 9.092 10.666 1.00 0.00 C ATOM 648 ND1 HIS A 52 3.568 10.282 11.130 1.00 0.00 N ATOM 649 CD2 HIS A 52 2.333 9.411 9.524 1.00 0.00 C ATOM 650 CE1 HIS A 52 3.178 11.255 10.292 1.00 0.00 C ATOM 651 NE2 HIS A 52 2.421 10.781 9.299 1.00 0.00 N ATOM 0 H HIS A 52 2.045 5.599 11.135 1.00 0.00 H new ATOM 0 HA HIS A 52 2.160 7.589 13.277 1.00 0.00 H new ATOM 0 HB2 HIS A 52 4.068 7.874 12.084 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.441 6.994 10.704 1.00 0.00 H new ATOM 0 HD1 HIS A 52 4.152 10.398 11.958 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.800 8.708 8.901 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.444 12.295 10.407 1.00 0.00 H new ATOM 659 N ILE A 53 0.234 8.189 10.653 1.00 0.00 N ATOM 660 CA ILE A 53 -0.929 9.039 10.281 1.00 0.00 C ATOM 661 C ILE A 53 -2.115 8.666 11.156 1.00 0.00 C ATOM 662 O ILE A 53 -3.108 9.353 11.201 1.00 0.00 O ATOM 663 CB ILE A 53 -1.307 8.840 8.815 1.00 0.00 C ATOM 664 CG1 ILE A 53 -0.954 7.428 8.354 1.00 0.00 C ATOM 665 CG2 ILE A 53 -0.541 9.844 7.972 1.00 0.00 C ATOM 666 CD1 ILE A 53 -1.637 7.159 7.017 1.00 0.00 C ATOM 0 H ILE A 53 0.560 7.545 9.932 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.658 10.084 10.429 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.381 8.986 8.703 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.126 7.324 8.253 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.277 6.698 9.096 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.802 9.712 6.922 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.800 10.855 8.286 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.530 9.686 8.102 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.391 6.152 6.679 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.717 7.248 7.136 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.292 7.884 6.280 1.00 0.00 H new ATOM 678 N GLN A 54 -2.035 7.582 11.857 1.00 0.00 N ATOM 679 CA GLN A 54 -3.186 7.212 12.716 1.00 0.00 C ATOM 680 C GLN A 54 -3.269 8.185 13.883 1.00 0.00 C ATOM 681 O GLN A 54 -4.329 8.427 14.421 1.00 0.00 O ATOM 682 CB GLN A 54 -3.030 5.780 13.229 1.00 0.00 C ATOM 683 CG GLN A 54 -4.266 4.964 12.842 1.00 0.00 C ATOM 684 CD GLN A 54 -4.111 4.443 11.410 1.00 0.00 C ATOM 685 OE1 GLN A 54 -4.311 3.272 11.154 1.00 0.00 O ATOM 686 NE2 GLN A 54 -3.756 5.266 10.462 1.00 0.00 N ATOM 0 H GLN A 54 -1.240 6.944 11.876 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.105 7.265 12.132 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.134 5.326 12.806 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.906 5.781 14.312 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.394 4.129 13.531 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.161 5.582 12.920 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.588 6.249 10.676 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.646 4.926 9.506 1.00 0.00 H new ATOM 695 N THR A 55 -2.174 8.764 14.279 1.00 0.00 N ATOM 696 CA THR A 55 -2.243 9.728 15.403 1.00 0.00 C ATOM 697 C THR A 55 -2.390 11.140 14.846 1.00 0.00 C ATOM 698 O THR A 55 -3.153 11.940 15.350 1.00 0.00 O ATOM 699 CB THR A 55 -0.975 9.628 16.253 1.00 0.00 C ATOM 700 OG1 THR A 55 -0.995 8.411 16.987 1.00 0.00 O ATOM 701 CG2 THR A 55 -0.914 10.809 17.222 1.00 0.00 C ATOM 0 H THR A 55 -1.248 8.614 13.879 1.00 0.00 H new ATOM 0 HA THR A 55 -3.104 9.496 16.030 1.00 0.00 H new ATOM 0 HB THR A 55 -0.099 9.648 15.604 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.183 8.344 17.531 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.010 10.737 17.827 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.900 11.742 16.658 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.788 10.792 17.872 1.00 0.00 H new ATOM 709 N HIS A 56 -1.673 11.455 13.807 1.00 0.00 N ATOM 710 CA HIS A 56 -1.783 12.809 13.219 1.00 0.00 C ATOM 711 C HIS A 56 -2.728 12.757 12.021 1.00 0.00 C ATOM 712 O HIS A 56 -2.824 13.692 11.251 1.00 0.00 O ATOM 713 CB HIS A 56 -0.378 13.297 12.829 1.00 0.00 C ATOM 714 CG HIS A 56 -0.175 13.385 11.331 1.00 0.00 C ATOM 715 ND1 HIS A 56 -0.589 14.481 10.588 1.00 0.00 N ATOM 716 CD2 HIS A 56 0.520 12.588 10.459 1.00 0.00 C ATOM 717 CE1 HIS A 56 -0.114 14.324 9.335 1.00 0.00 C ATOM 718 NE2 HIS A 56 0.575 13.185 9.204 1.00 0.00 N ATOM 0 H HIS A 56 -1.015 10.830 13.341 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.197 13.517 13.937 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.205 14.278 13.271 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.365 12.621 13.251 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -1.150 15.263 10.927 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.961 11.635 10.710 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.271 15.032 8.535 1.00 0.00 H new ATOM 726 N LEU A 57 -3.433 11.670 11.861 1.00 0.00 N ATOM 727 CA LEU A 57 -4.370 11.571 10.715 1.00 0.00 C ATOM 728 C LEU A 57 -5.395 10.453 10.983 1.00 0.00 C ATOM 729 O LEU A 57 -6.075 10.002 10.084 1.00 0.00 O ATOM 730 CB LEU A 57 -3.554 11.305 9.437 1.00 0.00 C ATOM 731 CG LEU A 57 -4.465 10.872 8.290 1.00 0.00 C ATOM 732 CD1 LEU A 57 -5.649 11.829 8.189 1.00 0.00 C ATOM 733 CD2 LEU A 57 -3.669 10.906 6.982 1.00 0.00 C ATOM 0 H LEU A 57 -3.399 10.854 12.472 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.924 12.500 10.585 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.009 12.206 9.154 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.811 10.531 9.629 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.833 9.863 8.473 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.298 11.519 7.370 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.210 11.813 9.123 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.285 12.839 8.001 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.311 10.598 6.157 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.308 11.918 6.802 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.821 10.225 7.055 1.00 0.00 H new ATOM 745 N GLU A 58 -5.521 10.008 12.222 1.00 0.00 N ATOM 746 CA GLU A 58 -6.513 8.928 12.534 1.00 0.00 C ATOM 747 C GLU A 58 -7.793 9.155 11.727 1.00 0.00 C ATOM 748 O GLU A 58 -8.347 8.239 11.152 1.00 0.00 O ATOM 749 CB GLU A 58 -6.870 8.927 14.031 1.00 0.00 C ATOM 750 CG GLU A 58 -6.453 10.247 14.687 1.00 0.00 C ATOM 751 CD GLU A 58 -7.305 10.488 15.935 1.00 0.00 C ATOM 752 OE1 GLU A 58 -7.381 9.591 16.759 1.00 0.00 O ATOM 753 OE2 GLU A 58 -7.869 11.565 16.046 1.00 0.00 O ATOM 0 H GLU A 58 -4.982 10.346 13.019 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.064 7.970 12.272 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.943 8.777 14.154 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.372 8.095 14.528 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.397 10.214 14.955 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.578 11.070 13.984 1.00 0.00 H new ATOM 760 N ASP A 59 -8.266 10.370 11.679 1.00 0.00 N ATOM 761 CA ASP A 59 -9.508 10.656 10.907 1.00 0.00 C ATOM 762 C ASP A 59 -9.830 12.148 10.999 1.00 0.00 C ATOM 763 O ASP A 59 -10.801 12.548 11.610 1.00 0.00 O ATOM 764 CB ASP A 59 -10.671 9.846 11.487 1.00 0.00 C ATOM 765 CG ASP A 59 -11.988 10.327 10.870 1.00 0.00 C ATOM 766 OD1 ASP A 59 -12.045 10.440 9.657 1.00 0.00 O ATOM 767 OD2 ASP A 59 -12.915 10.575 11.623 1.00 0.00 O ATOM 0 H ASP A 59 -7.846 11.177 12.141 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.359 10.378 9.864 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.527 8.785 11.282 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.702 9.959 12.571 1.00 0.00 H new ATOM 772 N ARG A 60 -9.022 12.978 10.394 1.00 0.00 N ATOM 773 CA ARG A 60 -9.282 14.444 10.446 1.00 0.00 C ATOM 774 C ARG A 60 -10.598 14.750 9.730 1.00 0.00 C ATOM 775 O ARG A 60 -11.533 13.984 9.896 1.00 0.00 O ATOM 776 CB ARG A 60 -8.139 15.192 9.756 1.00 0.00 C ATOM 777 CG ARG A 60 -7.753 16.418 10.588 1.00 0.00 C ATOM 778 CD ARG A 60 -8.244 17.688 9.889 1.00 0.00 C ATOM 779 NE ARG A 60 -7.965 18.869 10.754 1.00 0.00 N ATOM 780 CZ ARG A 60 -6.748 19.107 11.161 1.00 0.00 C ATOM 781 NH1 ARG A 60 -5.732 18.708 10.447 1.00 0.00 N ATOM 782 NH2 ARG A 60 -6.548 19.743 12.284 1.00 0.00 N ATOM 783 OXT ARG A 60 -10.649 15.746 9.025 1.00 0.00 O ATOM 0 H ARG A 60 -8.194 12.703 9.866 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.348 14.766 11.485 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.278 14.534 9.639 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.444 15.500 8.756 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.190 16.347 11.584 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -6.671 16.457 10.717 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.745 17.802 8.927 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.313 17.615 9.688 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.725 19.491 11.028 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.889 18.210 9.571 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.781 18.894 10.765 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -7.343 20.054 12.843 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.597 19.929 12.602 1.00 0.00 H new TER 797 ARG A 60 HETATM 798 ZN ZN A 61 1.707 12.095 7.961 1.00 0.00 ZN