USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=11 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+ 179:sc= -0.359 (180deg=0) USER MOD Set 1.2: A 27 MET CE :methyl -119:sc= -1.44 (180deg=-2.41!) USER MOD Single : A 14 THR OG1 : rot 35:sc= 0.292 USER MOD Single : A 19 SER OG : rot 39:sc= 0.323 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 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 157:sc= -2.16! USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.91 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 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -9.02! C(o=-9!,f=-4.4!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -13.614 -1.547 12.833 1.00 0.00 N ATOM 2 CA THR A 14 -13.409 -2.600 11.799 1.00 0.00 C ATOM 3 C THR A 14 -12.241 -2.202 10.893 1.00 0.00 C ATOM 4 O THR A 14 -11.287 -2.938 10.734 1.00 0.00 O ATOM 5 CB THR A 14 -14.679 -2.745 10.959 1.00 0.00 C ATOM 6 OG1 THR A 14 -15.802 -2.868 11.820 1.00 0.00 O ATOM 7 CG2 THR A 14 -14.572 -3.990 10.076 1.00 0.00 C ATOM 0 HA THR A 14 -13.186 -3.549 12.286 1.00 0.00 H new ATOM 0 HB THR A 14 -14.799 -1.865 10.327 1.00 0.00 H new ATOM 0 HG1 THR A 14 -15.661 -2.322 12.621 1.00 0.00 H new ATOM 0 HG21 THR A 14 -15.478 -4.091 9.478 1.00 0.00 H new ATOM 0 HG22 THR A 14 -13.710 -3.895 9.415 1.00 0.00 H new ATOM 0 HG23 THR A 14 -14.451 -4.872 10.704 1.00 0.00 H new ATOM 17 N LEU A 15 -12.309 -1.044 10.297 1.00 0.00 N ATOM 18 CA LEU A 15 -11.203 -0.602 9.402 1.00 0.00 C ATOM 19 C LEU A 15 -11.558 0.752 8.780 1.00 0.00 C ATOM 20 O LEU A 15 -12.201 0.809 7.750 1.00 0.00 O ATOM 21 CB LEU A 15 -11.002 -1.635 8.291 1.00 0.00 C ATOM 22 CG LEU A 15 -9.979 -1.107 7.285 1.00 0.00 C ATOM 23 CD1 LEU A 15 -8.597 -1.060 7.939 1.00 0.00 C ATOM 24 CD2 LEU A 15 -9.936 -2.035 6.069 1.00 0.00 C ATOM 0 H LEU A 15 -13.082 -0.385 10.391 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.285 -0.506 9.981 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.658 -2.579 8.715 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.949 -1.837 7.791 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.265 -0.104 6.968 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.868 -0.684 7.222 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.627 -0.400 8.806 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.310 -2.063 8.256 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.207 -1.660 5.351 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.650 -3.038 6.386 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.921 -2.069 5.602 1.00 0.00 H new ATOM 36 N PRO A 16 -11.125 1.805 9.426 1.00 0.00 N ATOM 37 CA PRO A 16 -11.378 3.181 8.964 1.00 0.00 C ATOM 38 C PRO A 16 -10.421 3.542 7.824 1.00 0.00 C ATOM 39 O PRO A 16 -9.248 3.233 7.865 1.00 0.00 O ATOM 40 CB PRO A 16 -11.094 4.033 10.204 1.00 0.00 C ATOM 41 CG PRO A 16 -10.167 3.189 11.111 1.00 0.00 C ATOM 42 CD PRO A 16 -10.345 1.721 10.678 1.00 0.00 C ATOM 0 HA PRO A 16 -12.386 3.326 8.575 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.616 4.973 9.928 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -12.019 4.285 10.722 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.129 3.502 11.002 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.430 3.318 12.161 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.383 1.234 10.516 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.871 1.143 11.437 1.00 0.00 H new ATOM 50 N ARG A 17 -10.912 4.199 6.808 1.00 0.00 N ATOM 51 CA ARG A 17 -10.028 4.581 5.675 1.00 0.00 C ATOM 52 C ARG A 17 -10.571 5.843 5.005 1.00 0.00 C ATOM 53 O ARG A 17 -10.453 6.026 3.810 1.00 0.00 O ATOM 54 CB ARG A 17 -9.979 3.441 4.654 1.00 0.00 C ATOM 55 CG ARG A 17 -11.354 3.275 4.007 1.00 0.00 C ATOM 56 CD ARG A 17 -12.012 1.996 4.527 1.00 0.00 C ATOM 57 NE ARG A 17 -13.493 2.160 4.519 1.00 0.00 N ATOM 58 CZ ARG A 17 -14.198 1.685 3.530 1.00 0.00 C ATOM 59 NH1 ARG A 17 -14.229 2.316 2.388 1.00 0.00 N ATOM 60 NH2 ARG A 17 -14.870 0.576 3.681 1.00 0.00 N ATOM 0 H ARG A 17 -11.886 4.486 6.716 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.023 4.773 6.051 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.230 3.654 3.891 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.681 2.513 5.143 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.981 4.137 4.234 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.254 3.230 2.922 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.726 1.148 3.904 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.665 1.781 5.538 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.956 2.644 5.288 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -13.702 3.181 2.269 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -14.780 1.944 1.615 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.844 0.081 4.572 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.421 0.204 2.908 1.00 0.00 H new ATOM 74 N GLY A 18 -11.164 6.719 5.770 1.00 0.00 N ATOM 75 CA GLY A 18 -11.712 7.973 5.181 1.00 0.00 C ATOM 76 C GLY A 18 -10.642 9.065 5.224 1.00 0.00 C ATOM 77 O GLY A 18 -10.899 10.213 4.919 1.00 0.00 O ATOM 0 H GLY A 18 -11.292 6.620 6.777 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.027 7.797 4.152 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.595 8.292 5.734 1.00 0.00 H new ATOM 81 N SER A 19 -9.441 8.716 5.599 1.00 0.00 N ATOM 82 CA SER A 19 -8.353 9.730 5.662 1.00 0.00 C ATOM 83 C SER A 19 -6.999 9.026 5.576 1.00 0.00 C ATOM 84 O SER A 19 -6.080 9.501 4.940 1.00 0.00 O ATOM 85 CB SER A 19 -8.446 10.498 6.979 1.00 0.00 C ATOM 86 OG SER A 19 -9.145 11.718 6.764 1.00 0.00 O ATOM 0 H SER A 19 -9.167 7.770 5.865 1.00 0.00 H new ATOM 0 HA SER A 19 -8.456 10.426 4.830 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.962 9.897 7.728 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.447 10.701 7.366 1.00 0.00 H new ATOM 0 HG SER A 19 -9.886 11.565 6.141 1.00 0.00 H new ATOM 92 N ILE A 20 -6.871 7.897 6.213 1.00 0.00 N ATOM 93 CA ILE A 20 -5.578 7.159 6.170 1.00 0.00 C ATOM 94 C ILE A 20 -5.265 6.768 4.731 1.00 0.00 C ATOM 95 O ILE A 20 -4.251 7.146 4.177 1.00 0.00 O ATOM 96 CB ILE A 20 -5.680 5.895 7.024 1.00 0.00 C ATOM 97 CG1 ILE A 20 -6.434 6.207 8.321 1.00 0.00 C ATOM 98 CG2 ILE A 20 -4.275 5.398 7.360 1.00 0.00 C ATOM 99 CD1 ILE A 20 -5.924 7.524 8.908 1.00 0.00 C ATOM 0 H ILE A 20 -7.606 7.452 6.762 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.785 7.798 6.558 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.219 5.126 6.470 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.504 6.275 8.124 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.293 5.399 9.039 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.344 4.497 7.969 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.739 5.173 6.438 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.739 6.169 7.913 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.462 7.744 9.830 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.858 7.439 9.121 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.088 8.329 8.192 1.00 0.00 H new ATOM 111 N ASP A 21 -6.129 6.012 4.123 1.00 0.00 N ATOM 112 CA ASP A 21 -5.891 5.592 2.715 1.00 0.00 C ATOM 113 C ASP A 21 -6.025 6.807 1.799 1.00 0.00 C ATOM 114 O ASP A 21 -5.585 6.796 0.666 1.00 0.00 O ATOM 115 CB ASP A 21 -6.921 4.533 2.315 1.00 0.00 C ATOM 116 CG ASP A 21 -6.580 3.207 2.996 1.00 0.00 C ATOM 117 OD1 ASP A 21 -6.783 3.111 4.196 1.00 0.00 O ATOM 118 OD2 ASP A 21 -6.122 2.310 2.307 1.00 0.00 O ATOM 0 H ASP A 21 -6.993 5.665 4.539 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.889 5.172 2.623 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.921 4.856 2.604 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.927 4.407 1.232 1.00 0.00 H new ATOM 123 N LYS A 22 -6.624 7.859 2.284 1.00 0.00 N ATOM 124 CA LYS A 22 -6.782 9.080 1.446 1.00 0.00 C ATOM 125 C LYS A 22 -5.603 10.022 1.695 1.00 0.00 C ATOM 126 O LYS A 22 -5.578 11.139 1.219 1.00 0.00 O ATOM 127 CB LYS A 22 -8.088 9.786 1.814 1.00 0.00 C ATOM 128 CG LYS A 22 -8.361 10.910 0.813 1.00 0.00 C ATOM 129 CD LYS A 22 -8.031 12.258 1.455 1.00 0.00 C ATOM 130 CE LYS A 22 -9.324 12.936 1.913 1.00 0.00 C ATOM 131 NZ LYS A 22 -9.414 14.294 1.306 1.00 0.00 N ATOM 0 H LYS A 22 -7.011 7.926 3.225 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.807 8.799 0.393 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.913 9.073 1.810 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.022 10.192 2.823 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.759 10.766 -0.084 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.406 10.889 0.503 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.363 12.114 2.304 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.507 12.894 0.741 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.186 12.337 1.619 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.343 13.010 3.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.293 14.756 1.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.598 14.864 1.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.414 14.212 0.269 1.00 0.00 H new ATOM 145 N TYR A 23 -4.623 9.580 2.439 1.00 0.00 N ATOM 146 CA TYR A 23 -3.447 10.451 2.716 1.00 0.00 C ATOM 147 C TYR A 23 -2.199 9.579 2.870 1.00 0.00 C ATOM 148 O TYR A 23 -1.219 9.983 3.464 1.00 0.00 O ATOM 149 CB TYR A 23 -3.685 11.236 4.006 1.00 0.00 C ATOM 150 CG TYR A 23 -4.284 12.582 3.675 1.00 0.00 C ATOM 151 CD1 TYR A 23 -3.698 13.387 2.692 1.00 0.00 C ATOM 152 CD2 TYR A 23 -5.427 13.023 4.352 1.00 0.00 C ATOM 153 CE1 TYR A 23 -4.254 14.635 2.386 1.00 0.00 C ATOM 154 CE2 TYR A 23 -5.984 14.270 4.046 1.00 0.00 C ATOM 155 CZ TYR A 23 -5.398 15.077 3.063 1.00 0.00 C ATOM 156 OH TYR A 23 -5.946 16.307 2.762 1.00 0.00 O ATOM 0 H TYR A 23 -4.588 8.654 2.866 1.00 0.00 H new ATOM 0 HA TYR A 23 -3.306 11.149 1.891 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.354 10.681 4.664 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -2.746 11.367 4.543 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -2.817 13.046 2.169 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.879 12.401 5.110 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.801 15.257 1.628 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.866 14.610 4.568 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.736 16.459 3.322 1.00 0.00 H new ATOM 166 N VAL A 24 -2.228 8.386 2.344 1.00 0.00 N ATOM 167 CA VAL A 24 -1.045 7.488 2.462 1.00 0.00 C ATOM 168 C VAL A 24 -0.535 7.126 1.065 1.00 0.00 C ATOM 169 O VAL A 24 -1.238 6.536 0.271 1.00 0.00 O ATOM 170 CB VAL A 24 -1.449 6.214 3.204 1.00 0.00 C ATOM 171 CG1 VAL A 24 -2.323 5.345 2.297 1.00 0.00 C ATOM 172 CG2 VAL A 24 -0.192 5.435 3.599 1.00 0.00 C ATOM 0 H VAL A 24 -3.021 7.994 1.837 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.255 7.997 3.014 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.011 6.480 4.100 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.609 4.438 2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.219 5.899 2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.764 5.079 1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.478 4.526 4.128 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.369 5.171 2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.430 6.052 4.248 1.00 0.00 H new ATOM 182 N LYS A 25 0.686 7.476 0.760 1.00 0.00 N ATOM 183 CA LYS A 25 1.239 7.151 -0.585 1.00 0.00 C ATOM 184 C LYS A 25 2.234 5.992 -0.466 1.00 0.00 C ATOM 185 O LYS A 25 3.052 5.953 0.431 1.00 0.00 O ATOM 186 CB LYS A 25 1.955 8.380 -1.152 1.00 0.00 C ATOM 187 CG LYS A 25 1.455 8.649 -2.574 1.00 0.00 C ATOM 188 CD LYS A 25 2.458 9.539 -3.309 1.00 0.00 C ATOM 189 CE LYS A 25 3.069 8.762 -4.477 1.00 0.00 C ATOM 190 NZ LYS A 25 3.625 9.719 -5.474 1.00 0.00 N ATOM 0 H LYS A 25 1.323 7.972 1.384 1.00 0.00 H new ATOM 0 HA LYS A 25 0.425 6.863 -1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.768 9.247 -0.519 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.033 8.216 -1.159 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.327 7.708 -3.110 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.479 9.133 -2.542 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.962 10.438 -3.676 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.242 9.864 -2.625 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.855 8.100 -4.115 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.312 8.132 -4.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.055 9.191 -6.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.861 10.322 -5.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.348 10.313 -5.019 1.00 0.00 H new ATOM 204 N GLU A 26 2.168 5.050 -1.367 1.00 0.00 N ATOM 205 CA GLU A 26 3.108 3.895 -1.309 1.00 0.00 C ATOM 206 C GLU A 26 3.854 3.781 -2.641 1.00 0.00 C ATOM 207 O GLU A 26 3.291 3.392 -3.645 1.00 0.00 O ATOM 208 CB GLU A 26 2.321 2.607 -1.057 1.00 0.00 C ATOM 209 CG GLU A 26 0.959 2.698 -1.750 1.00 0.00 C ATOM 210 CD GLU A 26 -0.051 3.347 -0.802 1.00 0.00 C ATOM 211 OE1 GLU A 26 -0.357 2.740 0.212 1.00 0.00 O ATOM 212 OE2 GLU A 26 -0.501 4.439 -1.104 1.00 0.00 O ATOM 0 H GLU A 26 1.504 5.030 -2.141 1.00 0.00 H new ATOM 0 HA GLU A 26 3.823 4.048 -0.500 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.877 1.749 -1.435 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.187 2.454 0.014 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.043 3.283 -2.666 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.618 1.704 -2.037 1.00 0.00 H new ATOM 219 N MET A 27 5.113 4.120 -2.658 1.00 0.00 N ATOM 220 CA MET A 27 5.888 4.031 -3.927 1.00 0.00 C ATOM 221 C MET A 27 6.341 2.583 -4.148 1.00 0.00 C ATOM 222 O MET A 27 6.872 1.957 -3.249 1.00 0.00 O ATOM 223 CB MET A 27 7.114 4.941 -3.835 1.00 0.00 C ATOM 224 CG MET A 27 6.689 6.325 -3.340 1.00 0.00 C ATOM 225 SD MET A 27 7.612 7.596 -4.237 1.00 0.00 S ATOM 226 CE MET A 27 6.315 8.023 -5.424 1.00 0.00 C ATOM 0 H MET A 27 5.638 4.454 -1.850 1.00 0.00 H new ATOM 0 HA MET A 27 5.261 4.346 -4.761 1.00 0.00 H new ATOM 0 HB2 MET A 27 7.849 4.510 -3.155 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.592 5.024 -4.811 1.00 0.00 H new ATOM 0 HG2 MET A 27 5.618 6.464 -3.490 1.00 0.00 H new ATOM 0 HG3 MET A 27 6.875 6.413 -2.270 1.00 0.00 H new ATOM 0 HE1 MET A 27 6.667 7.821 -6.436 1.00 0.00 H new ATOM 0 HE2 MET A 27 5.426 7.425 -5.223 1.00 0.00 H new ATOM 0 HE3 MET A 27 6.069 9.081 -5.329 1.00 0.00 H new ATOM 236 N PRO A 28 6.129 2.090 -5.344 1.00 0.00 N ATOM 237 CA PRO A 28 6.509 0.714 -5.706 1.00 0.00 C ATOM 238 C PRO A 28 8.027 0.608 -5.852 1.00 0.00 C ATOM 239 O PRO A 28 8.578 -0.469 -5.959 1.00 0.00 O ATOM 240 CB PRO A 28 5.793 0.476 -7.040 1.00 0.00 C ATOM 241 CG PRO A 28 5.505 1.873 -7.633 1.00 0.00 C ATOM 242 CD PRO A 28 5.511 2.856 -6.447 1.00 0.00 C ATOM 0 HA PRO A 28 6.230 -0.026 -4.956 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.414 -0.112 -7.715 1.00 0.00 H new ATOM 0 HB3 PRO A 28 4.868 -0.081 -6.891 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.261 2.147 -8.369 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.543 1.887 -8.145 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.083 3.755 -6.677 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.501 3.178 -6.192 1.00 0.00 H new ATOM 250 N ASP A 29 8.710 1.720 -5.837 1.00 0.00 N ATOM 251 CA ASP A 29 10.190 1.680 -5.952 1.00 0.00 C ATOM 252 C ASP A 29 10.790 1.531 -4.552 1.00 0.00 C ATOM 253 O ASP A 29 11.974 1.710 -4.358 1.00 0.00 O ATOM 254 CB ASP A 29 10.698 2.973 -6.600 1.00 0.00 C ATOM 255 CG ASP A 29 10.624 4.122 -5.591 1.00 0.00 C ATOM 256 OD1 ASP A 29 9.536 4.633 -5.385 1.00 0.00 O ATOM 257 OD2 ASP A 29 11.657 4.471 -5.044 1.00 0.00 O ATOM 0 H ASP A 29 8.305 2.652 -5.750 1.00 0.00 H new ATOM 0 HA ASP A 29 10.488 0.836 -6.574 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.725 2.841 -6.940 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.099 3.210 -7.479 1.00 0.00 H new ATOM 262 N LYS A 30 9.965 1.214 -3.580 1.00 0.00 N ATOM 263 CA LYS A 30 10.441 1.049 -2.181 1.00 0.00 C ATOM 264 C LYS A 30 10.507 2.420 -1.510 1.00 0.00 C ATOM 265 O LYS A 30 11.530 2.826 -0.996 1.00 0.00 O ATOM 266 CB LYS A 30 11.819 0.401 -2.171 1.00 0.00 C ATOM 267 CG LYS A 30 11.819 -0.824 -3.089 1.00 0.00 C ATOM 268 CD LYS A 30 12.336 -2.040 -2.318 1.00 0.00 C ATOM 269 CE LYS A 30 12.208 -3.291 -3.190 1.00 0.00 C ATOM 270 NZ LYS A 30 13.467 -4.086 -3.105 1.00 0.00 N ATOM 0 H LYS A 30 8.965 1.061 -3.707 1.00 0.00 H new ATOM 0 HA LYS A 30 9.749 0.407 -1.636 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.571 1.117 -2.504 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.086 0.107 -1.156 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.811 -1.015 -3.457 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.447 -0.639 -3.960 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.377 -1.887 -2.033 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.769 -2.167 -1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.362 -3.893 -2.859 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.013 -3.008 -4.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.381 -4.937 -3.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.265 -3.510 -3.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.634 -4.367 -2.118 1.00 0.00 H new ATOM 284 N THR A 31 9.417 3.135 -1.514 1.00 0.00 N ATOM 285 CA THR A 31 9.402 4.480 -0.882 1.00 0.00 C ATOM 286 C THR A 31 8.025 4.736 -0.265 1.00 0.00 C ATOM 287 O THR A 31 7.112 3.948 -0.413 1.00 0.00 O ATOM 288 CB THR A 31 9.689 5.541 -1.943 1.00 0.00 C ATOM 289 OG1 THR A 31 10.450 4.964 -2.996 1.00 0.00 O ATOM 290 CG2 THR A 31 10.472 6.696 -1.317 1.00 0.00 C ATOM 0 H THR A 31 8.533 2.843 -1.930 1.00 0.00 H new ATOM 0 HA THR A 31 10.164 4.527 -0.104 1.00 0.00 H new ATOM 0 HB THR A 31 8.747 5.919 -2.341 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.330 5.492 -3.813 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.675 7.451 -2.076 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.886 7.139 -0.512 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.414 6.322 -0.916 1.00 0.00 H new ATOM 298 N PHE A 32 7.868 5.832 0.425 1.00 0.00 N ATOM 299 CA PHE A 32 6.550 6.138 1.048 1.00 0.00 C ATOM 300 C PHE A 32 6.419 7.650 1.227 1.00 0.00 C ATOM 301 O PHE A 32 7.398 8.352 1.384 1.00 0.00 O ATOM 302 CB PHE A 32 6.455 5.447 2.411 1.00 0.00 C ATOM 303 CG PHE A 32 5.579 4.225 2.292 1.00 0.00 C ATOM 304 CD1 PHE A 32 4.187 4.349 2.383 1.00 0.00 C ATOM 305 CD2 PHE A 32 6.156 2.966 2.086 1.00 0.00 C ATOM 306 CE1 PHE A 32 3.374 3.216 2.271 1.00 0.00 C ATOM 307 CE2 PHE A 32 5.342 1.832 1.974 1.00 0.00 C ATOM 308 CZ PHE A 32 3.951 1.958 2.066 1.00 0.00 C ATOM 0 H PHE A 32 8.596 6.529 0.584 1.00 0.00 H new ATOM 0 HA PHE A 32 5.747 5.776 0.406 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.449 5.163 2.758 1.00 0.00 H new ATOM 0 HB3 PHE A 32 6.043 6.133 3.151 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.741 5.320 2.540 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.229 2.869 2.013 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.301 3.312 2.343 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.787 0.861 1.817 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.323 1.084 1.979 1.00 0.00 H new ATOM 318 N GLU A 33 5.219 8.162 1.200 1.00 0.00 N ATOM 319 CA GLU A 33 5.043 9.632 1.363 1.00 0.00 C ATOM 320 C GLU A 33 3.680 9.932 1.990 1.00 0.00 C ATOM 321 O GLU A 33 2.647 9.720 1.389 1.00 0.00 O ATOM 322 CB GLU A 33 5.129 10.307 -0.007 1.00 0.00 C ATOM 323 CG GLU A 33 5.562 11.764 0.170 1.00 0.00 C ATOM 324 CD GLU A 33 6.337 12.220 -1.068 1.00 0.00 C ATOM 325 OE1 GLU A 33 5.698 12.571 -2.047 1.00 0.00 O ATOM 326 OE2 GLU A 33 7.556 12.213 -1.016 1.00 0.00 O ATOM 0 H GLU A 33 4.358 7.630 1.073 1.00 0.00 H new ATOM 0 HA GLU A 33 5.828 10.015 2.015 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.841 9.779 -0.641 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.162 10.262 -0.508 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.688 12.399 0.319 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.184 11.864 1.059 1.00 0.00 H new ATOM 333 N CYS A 34 3.677 10.441 3.190 1.00 0.00 N ATOM 334 CA CYS A 34 2.388 10.777 3.859 1.00 0.00 C ATOM 335 C CYS A 34 1.772 11.984 3.148 1.00 0.00 C ATOM 336 O CYS A 34 2.273 13.089 3.232 1.00 0.00 O ATOM 337 CB CYS A 34 2.669 11.116 5.324 1.00 0.00 C ATOM 338 SG CYS A 34 1.121 11.222 6.257 1.00 0.00 S ATOM 0 H CYS A 34 4.514 10.640 3.738 1.00 0.00 H new ATOM 0 HA CYS A 34 1.696 9.936 3.812 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.314 10.354 5.763 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.205 12.063 5.388 1.00 0.00 H new ATOM 343 N LEU A 35 0.702 11.778 2.430 1.00 0.00 N ATOM 344 CA LEU A 35 0.066 12.906 1.688 1.00 0.00 C ATOM 345 C LEU A 35 -0.669 13.845 2.649 1.00 0.00 C ATOM 346 O LEU A 35 -1.301 14.794 2.229 1.00 0.00 O ATOM 347 CB LEU A 35 -0.929 12.342 0.674 1.00 0.00 C ATOM 348 CG LEU A 35 -0.204 11.383 -0.271 1.00 0.00 C ATOM 349 CD1 LEU A 35 -1.106 10.186 -0.575 1.00 0.00 C ATOM 350 CD2 LEU A 35 0.133 12.112 -1.575 1.00 0.00 C ATOM 0 H LEU A 35 0.239 10.875 2.324 1.00 0.00 H new ATOM 0 HA LEU A 35 0.845 13.472 1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.735 11.821 1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.386 13.153 0.107 1.00 0.00 H new ATOM 0 HG LEU A 35 0.715 11.034 0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.589 9.503 -1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.347 9.667 0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.025 10.534 -1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.650 11.430 -2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.787 12.460 -2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.776 12.965 -1.359 1.00 0.00 H new ATOM 362 N PHE A 36 -0.598 13.606 3.930 1.00 0.00 N ATOM 363 CA PHE A 36 -1.305 14.510 4.881 1.00 0.00 C ATOM 364 C PHE A 36 -0.779 15.938 4.706 1.00 0.00 C ATOM 365 O PHE A 36 0.406 16.140 4.527 1.00 0.00 O ATOM 366 CB PHE A 36 -1.047 14.051 6.315 1.00 0.00 C ATOM 367 CG PHE A 36 -1.803 14.945 7.267 1.00 0.00 C ATOM 368 CD1 PHE A 36 -1.285 16.198 7.621 1.00 0.00 C ATOM 369 CD2 PHE A 36 -3.026 14.522 7.794 1.00 0.00 C ATOM 370 CE1 PHE A 36 -1.991 17.023 8.505 1.00 0.00 C ATOM 371 CE2 PHE A 36 -3.734 15.346 8.677 1.00 0.00 C ATOM 372 CZ PHE A 36 -3.215 16.597 9.033 1.00 0.00 C ATOM 0 H PHE A 36 -0.087 12.833 4.356 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.376 14.483 4.679 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.364 13.016 6.441 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.020 14.086 6.534 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.341 16.527 7.212 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.426 13.557 7.520 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.591 17.988 8.779 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.679 15.017 9.083 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.759 17.233 9.715 1.00 0.00 H new ATOM 382 N PRO A 37 -1.675 16.892 4.768 1.00 0.00 N ATOM 383 CA PRO A 37 -1.322 18.313 4.620 1.00 0.00 C ATOM 384 C PRO A 37 -0.655 18.822 5.896 1.00 0.00 C ATOM 385 O PRO A 37 -1.271 18.925 6.936 1.00 0.00 O ATOM 386 CB PRO A 37 -2.668 19.000 4.378 1.00 0.00 C ATOM 387 CG PRO A 37 -3.748 18.049 4.945 1.00 0.00 C ATOM 388 CD PRO A 37 -3.115 16.646 4.995 1.00 0.00 C ATOM 0 HA PRO A 37 -0.614 18.503 3.813 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.704 19.970 4.874 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.827 19.180 3.315 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.062 18.368 5.939 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.637 18.051 4.314 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.290 16.164 5.957 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.533 15.992 4.230 1.00 0.00 H new ATOM 396 N GLY A 38 0.609 19.123 5.820 1.00 0.00 N ATOM 397 CA GLY A 38 1.338 19.602 7.022 1.00 0.00 C ATOM 398 C GLY A 38 2.378 18.551 7.396 1.00 0.00 C ATOM 399 O GLY A 38 3.346 18.829 8.074 1.00 0.00 O ATOM 0 H GLY A 38 1.171 19.057 4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.820 20.559 6.819 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.645 19.763 7.848 1.00 0.00 H new ATOM 403 N CYS A 39 2.184 17.341 6.945 1.00 0.00 N ATOM 404 CA CYS A 39 3.161 16.263 7.259 1.00 0.00 C ATOM 405 C CYS A 39 4.446 16.505 6.468 1.00 0.00 C ATOM 406 O CYS A 39 4.477 17.295 5.544 1.00 0.00 O ATOM 407 CB CYS A 39 2.568 14.914 6.859 1.00 0.00 C ATOM 408 SG CYS A 39 3.568 13.574 7.551 1.00 0.00 S ATOM 0 H CYS A 39 1.390 17.054 6.372 1.00 0.00 H new ATOM 0 HA CYS A 39 3.381 16.264 8.327 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.542 14.837 7.218 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.533 14.830 5.773 1.00 0.00 H new ATOM 413 N THR A 40 5.508 15.835 6.816 1.00 0.00 N ATOM 414 CA THR A 40 6.784 16.031 6.077 1.00 0.00 C ATOM 415 C THR A 40 7.763 14.921 6.459 1.00 0.00 C ATOM 416 O THR A 40 8.962 15.115 6.470 1.00 0.00 O ATOM 417 CB THR A 40 7.378 17.389 6.446 1.00 0.00 C ATOM 418 OG1 THR A 40 6.441 18.116 7.229 1.00 0.00 O ATOM 419 CG2 THR A 40 7.697 18.171 5.171 1.00 0.00 C ATOM 0 H THR A 40 5.547 15.160 7.580 1.00 0.00 H new ATOM 0 HA THR A 40 6.598 15.997 5.004 1.00 0.00 H new ATOM 0 HB THR A 40 8.294 17.243 7.018 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.821 18.987 7.468 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.121 19.140 5.435 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.415 17.612 4.571 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.783 18.319 4.597 1.00 0.00 H new ATOM 427 N LYS A 41 7.262 13.758 6.774 1.00 0.00 N ATOM 428 CA LYS A 41 8.168 12.638 7.158 1.00 0.00 C ATOM 429 C LYS A 41 7.956 11.455 6.211 1.00 0.00 C ATOM 430 O LYS A 41 7.418 10.434 6.589 1.00 0.00 O ATOM 431 CB LYS A 41 7.861 12.205 8.593 1.00 0.00 C ATOM 432 CG LYS A 41 8.199 13.347 9.552 1.00 0.00 C ATOM 433 CD LYS A 41 6.990 13.640 10.443 1.00 0.00 C ATOM 434 CE LYS A 41 6.180 14.792 9.845 1.00 0.00 C ATOM 435 NZ LYS A 41 5.692 15.677 10.940 1.00 0.00 N ATOM 0 H LYS A 41 6.267 13.535 6.782 1.00 0.00 H new ATOM 0 HA LYS A 41 9.204 12.971 7.091 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.809 11.937 8.686 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.440 11.318 8.848 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.059 13.079 10.165 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.474 14.239 8.989 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.366 12.751 10.531 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.321 13.898 11.449 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.797 15.362 9.150 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.337 14.401 9.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.141 16.460 10.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.090 15.129 11.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.504 16.060 11.465 1.00 0.00 H new ATOM 449 N THR A 42 8.380 11.581 4.982 1.00 0.00 N ATOM 450 CA THR A 42 8.207 10.459 4.018 1.00 0.00 C ATOM 451 C THR A 42 9.043 9.266 4.482 1.00 0.00 C ATOM 452 O THR A 42 10.047 9.423 5.148 1.00 0.00 O ATOM 453 CB THR A 42 8.671 10.897 2.629 1.00 0.00 C ATOM 454 OG1 THR A 42 10.085 10.792 2.549 1.00 0.00 O ATOM 455 CG2 THR A 42 8.247 12.345 2.381 1.00 0.00 C ATOM 0 H THR A 42 8.838 12.411 4.606 1.00 0.00 H new ATOM 0 HA THR A 42 7.155 10.177 3.972 1.00 0.00 H new ATOM 0 HB THR A 42 8.217 10.255 1.874 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.384 11.071 1.658 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.578 12.657 1.390 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.161 12.422 2.441 1.00 0.00 H new ATOM 0 HG23 THR A 42 8.699 12.990 3.134 1.00 0.00 H new ATOM 463 N PHE A 43 8.637 8.074 4.144 1.00 0.00 N ATOM 464 CA PHE A 43 9.411 6.878 4.575 1.00 0.00 C ATOM 465 C PHE A 43 9.763 6.034 3.349 1.00 0.00 C ATOM 466 O PHE A 43 9.862 6.538 2.247 1.00 0.00 O ATOM 467 CB PHE A 43 8.568 6.049 5.548 1.00 0.00 C ATOM 468 CG PHE A 43 7.671 6.964 6.354 1.00 0.00 C ATOM 469 CD1 PHE A 43 6.577 7.588 5.741 1.00 0.00 C ATOM 470 CD2 PHE A 43 7.931 7.184 7.712 1.00 0.00 C ATOM 471 CE1 PHE A 43 5.744 8.433 6.484 1.00 0.00 C ATOM 472 CE2 PHE A 43 7.098 8.029 8.456 1.00 0.00 C ATOM 473 CZ PHE A 43 6.005 8.653 7.842 1.00 0.00 C ATOM 0 H PHE A 43 7.804 7.877 3.589 1.00 0.00 H new ATOM 0 HA PHE A 43 10.328 7.194 5.072 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.966 5.326 4.998 1.00 0.00 H new ATOM 0 HB3 PHE A 43 9.217 5.481 6.214 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.376 7.417 4.694 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.774 6.702 8.186 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.901 8.915 6.010 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.299 8.199 9.503 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.363 9.304 8.416 1.00 0.00 H new ATOM 483 N LYS A 44 9.953 4.755 3.524 1.00 0.00 N ATOM 484 CA LYS A 44 10.297 3.892 2.360 1.00 0.00 C ATOM 485 C LYS A 44 10.286 2.422 2.783 1.00 0.00 C ATOM 486 O LYS A 44 10.768 2.066 3.839 1.00 0.00 O ATOM 487 CB LYS A 44 11.690 4.262 1.846 1.00 0.00 C ATOM 488 CG LYS A 44 12.746 3.792 2.848 1.00 0.00 C ATOM 489 CD LYS A 44 13.776 4.903 3.065 1.00 0.00 C ATOM 490 CE LYS A 44 14.821 4.439 4.080 1.00 0.00 C ATOM 491 NZ LYS A 44 15.398 5.624 4.775 1.00 0.00 N ATOM 0 H LYS A 44 9.885 4.272 4.420 1.00 0.00 H new ATOM 0 HA LYS A 44 9.562 4.045 1.570 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.865 3.801 0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.762 5.340 1.704 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.273 3.530 3.795 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.238 2.893 2.478 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.258 5.156 2.121 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.282 5.806 3.423 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.365 3.765 4.805 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.609 3.880 3.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.109 5.309 5.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.847 6.251 4.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.641 6.140 5.268 1.00 0.00 H new ATOM 505 N ARG A 45 9.741 1.567 1.960 1.00 0.00 N ATOM 506 CA ARG A 45 9.698 0.119 2.306 1.00 0.00 C ATOM 507 C ARG A 45 9.311 -0.047 3.776 1.00 0.00 C ATOM 508 O ARG A 45 10.086 -0.526 4.580 1.00 0.00 O ATOM 509 CB ARG A 45 11.076 -0.500 2.067 1.00 0.00 C ATOM 510 CG ARG A 45 10.974 -2.023 2.155 1.00 0.00 C ATOM 511 CD ARG A 45 12.370 -2.617 2.351 1.00 0.00 C ATOM 512 NE ARG A 45 13.176 -2.406 1.117 1.00 0.00 N ATOM 513 CZ ARG A 45 13.989 -3.339 0.701 1.00 0.00 C ATOM 514 NH1 ARG A 45 13.600 -4.585 0.692 1.00 0.00 N ATOM 515 NH2 ARG A 45 15.189 -3.027 0.295 1.00 0.00 N ATOM 0 H ARG A 45 9.323 1.810 1.062 1.00 0.00 H new ATOM 0 HA ARG A 45 8.959 -0.382 1.681 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.453 -0.206 1.087 1.00 0.00 H new ATOM 0 HB3 ARG A 45 11.786 -0.129 2.806 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.326 -2.307 2.984 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.522 -2.421 1.246 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.861 -2.147 3.204 1.00 0.00 H new ATOM 0 HD3 ARG A 45 12.296 -3.682 2.573 1.00 0.00 H new ATOM 0 HE ARG A 45 13.093 -1.533 0.597 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.662 -4.829 1.010 1.00 0.00 H new ATOM 0 HH12 ARG A 45 14.234 -5.315 0.367 1.00 0.00 H new ATOM 0 HH21 ARG A 45 15.493 -2.053 0.302 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.823 -3.757 -0.030 1.00 0.00 H new ATOM 529 N ARG A 46 8.118 0.343 4.135 1.00 0.00 N ATOM 530 CA ARG A 46 7.688 0.207 5.554 1.00 0.00 C ATOM 531 C ARG A 46 6.168 0.363 5.647 1.00 0.00 C ATOM 532 O ARG A 46 5.564 1.105 4.900 1.00 0.00 O ATOM 533 CB ARG A 46 8.363 1.290 6.398 1.00 0.00 C ATOM 534 CG ARG A 46 9.487 0.664 7.228 1.00 0.00 C ATOM 535 CD ARG A 46 10.257 1.766 7.956 1.00 0.00 C ATOM 536 NE ARG A 46 11.285 1.150 8.841 1.00 0.00 N ATOM 537 CZ ARG A 46 12.093 0.241 8.368 1.00 0.00 C ATOM 538 NH1 ARG A 46 12.375 0.219 7.094 1.00 0.00 N ATOM 539 NH2 ARG A 46 12.615 -0.648 9.168 1.00 0.00 N ATOM 0 H ARG A 46 7.424 0.749 3.507 1.00 0.00 H new ATOM 0 HA ARG A 46 7.975 -0.777 5.926 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.765 2.071 5.753 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.632 1.763 7.054 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.072 -0.041 7.948 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.160 0.101 6.582 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.733 2.430 7.234 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.572 2.375 8.545 1.00 0.00 H new ATOM 0 HE ARG A 46 11.357 1.439 9.817 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.964 0.912 6.469 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.007 -0.491 6.724 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.391 -0.632 10.163 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.247 -1.359 8.798 1.00 0.00 H new ATOM 553 N TYR A 47 5.549 -0.331 6.561 1.00 0.00 N ATOM 554 CA TYR A 47 4.069 -0.226 6.709 1.00 0.00 C ATOM 555 C TYR A 47 3.759 0.329 8.092 1.00 0.00 C ATOM 556 O TYR A 47 2.640 0.262 8.562 1.00 0.00 O ATOM 557 CB TYR A 47 3.411 -1.608 6.585 1.00 0.00 C ATOM 558 CG TYR A 47 4.465 -2.673 6.407 1.00 0.00 C ATOM 559 CD1 TYR A 47 5.030 -3.288 7.530 1.00 0.00 C ATOM 560 CD2 TYR A 47 4.874 -3.043 5.123 1.00 0.00 C ATOM 561 CE1 TYR A 47 6.009 -4.276 7.367 1.00 0.00 C ATOM 562 CE2 TYR A 47 5.853 -4.031 4.958 1.00 0.00 C ATOM 563 CZ TYR A 47 6.420 -4.648 6.081 1.00 0.00 C ATOM 564 OH TYR A 47 7.384 -5.621 5.919 1.00 0.00 O ATOM 0 H TYR A 47 6.005 -0.968 7.214 1.00 0.00 H new ATOM 0 HA TYR A 47 3.681 0.425 5.926 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.818 -1.818 7.475 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.726 -1.618 5.737 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.711 -3.001 8.521 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.435 -2.567 4.258 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.447 -4.751 8.233 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.171 -4.317 3.966 1.00 0.00 H new ATOM 0 HH TYR A 47 7.552 -5.759 4.963 1.00 0.00 H new ATOM 574 N ASN A 48 4.738 0.873 8.752 1.00 0.00 N ATOM 575 CA ASN A 48 4.492 1.423 10.103 1.00 0.00 C ATOM 576 C ASN A 48 4.129 2.898 9.966 1.00 0.00 C ATOM 577 O ASN A 48 3.553 3.499 10.854 1.00 0.00 O ATOM 578 CB ASN A 48 5.750 1.276 10.959 1.00 0.00 C ATOM 579 CG ASN A 48 5.846 -0.159 11.479 1.00 0.00 C ATOM 580 OD1 ASN A 48 5.440 -0.445 12.587 1.00 0.00 O ATOM 581 ND2 ASN A 48 6.370 -1.081 10.717 1.00 0.00 N ATOM 0 H ASN A 48 5.696 0.959 8.412 1.00 0.00 H new ATOM 0 HA ASN A 48 3.677 0.882 10.584 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.634 1.521 10.371 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.719 1.976 11.794 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.438 -2.042 11.053 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.711 -0.840 9.786 1.00 0.00 H new ATOM 588 N ILE A 49 4.452 3.480 8.847 1.00 0.00 N ATOM 589 CA ILE A 49 4.114 4.913 8.643 1.00 0.00 C ATOM 590 C ILE A 49 2.587 5.028 8.588 1.00 0.00 C ATOM 591 O ILE A 49 2.011 6.012 9.007 1.00 0.00 O ATOM 592 CB ILE A 49 4.769 5.460 7.345 1.00 0.00 C ATOM 593 CG1 ILE A 49 3.740 5.580 6.215 1.00 0.00 C ATOM 594 CG2 ILE A 49 5.902 4.538 6.884 1.00 0.00 C ATOM 595 CD1 ILE A 49 3.281 4.188 5.787 1.00 0.00 C ATOM 0 H ILE A 49 4.933 3.028 8.069 1.00 0.00 H new ATOM 0 HA ILE A 49 4.503 5.514 9.465 1.00 0.00 H new ATOM 0 HB ILE A 49 5.168 6.448 7.574 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.886 6.168 6.549 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.177 6.106 5.366 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.349 4.938 5.974 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.661 4.476 7.664 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.504 3.543 6.686 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.550 4.277 4.984 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.138 3.614 5.435 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.827 3.678 6.636 1.00 0.00 H new ATOM 607 N ARG A 50 1.932 4.014 8.087 1.00 0.00 N ATOM 608 CA ARG A 50 0.445 4.051 8.024 1.00 0.00 C ATOM 609 C ARG A 50 -0.087 4.298 9.434 1.00 0.00 C ATOM 610 O ARG A 50 -0.999 5.072 9.640 1.00 0.00 O ATOM 611 CB ARG A 50 -0.082 2.714 7.497 1.00 0.00 C ATOM 612 CG ARG A 50 -1.562 2.854 7.131 1.00 0.00 C ATOM 613 CD ARG A 50 -1.791 2.318 5.716 1.00 0.00 C ATOM 614 NE ARG A 50 -3.006 1.454 5.702 1.00 0.00 N ATOM 615 CZ ARG A 50 -2.927 0.209 6.090 1.00 0.00 C ATOM 616 NH1 ARG A 50 -1.865 -0.213 6.718 1.00 0.00 N ATOM 617 NH2 ARG A 50 -3.911 -0.613 5.848 1.00 0.00 N ATOM 0 H ARG A 50 2.362 3.165 7.720 1.00 0.00 H new ATOM 0 HA ARG A 50 0.115 4.845 7.354 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.491 2.404 6.623 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.044 1.938 8.252 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.177 2.304 7.843 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.864 3.900 7.189 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.912 3.146 5.017 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.922 1.748 5.387 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.899 1.835 5.389 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.095 0.429 6.907 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.804 -1.185 7.021 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.742 -0.283 5.356 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.850 -1.585 6.151 1.00 0.00 H new ATOM 631 N SER A 51 0.493 3.660 10.411 1.00 0.00 N ATOM 632 CA SER A 51 0.038 3.878 11.809 1.00 0.00 C ATOM 633 C SER A 51 0.469 5.280 12.236 1.00 0.00 C ATOM 634 O SER A 51 -0.148 5.906 13.076 1.00 0.00 O ATOM 635 CB SER A 51 0.680 2.837 12.726 1.00 0.00 C ATOM 636 OG SER A 51 0.262 3.069 14.064 1.00 0.00 O ATOM 0 H SER A 51 1.261 2.998 10.301 1.00 0.00 H new ATOM 0 HA SER A 51 -1.046 3.781 11.875 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.394 1.833 12.412 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.766 2.895 12.657 1.00 0.00 H new ATOM 0 HG SER A 51 0.671 2.402 14.655 1.00 0.00 H new ATOM 642 N HIS A 52 1.525 5.777 11.651 1.00 0.00 N ATOM 643 CA HIS A 52 2.007 7.142 12.002 1.00 0.00 C ATOM 644 C HIS A 52 0.926 8.159 11.638 1.00 0.00 C ATOM 645 O HIS A 52 0.665 9.092 12.372 1.00 0.00 O ATOM 646 CB HIS A 52 3.322 7.424 11.236 1.00 0.00 C ATOM 647 CG HIS A 52 3.307 8.796 10.602 1.00 0.00 C ATOM 648 ND1 HIS A 52 4.186 9.796 10.983 1.00 0.00 N ATOM 649 CD2 HIS A 52 2.495 9.357 9.643 1.00 0.00 C ATOM 650 CE1 HIS A 52 3.879 10.898 10.274 1.00 0.00 C ATOM 651 NE2 HIS A 52 2.853 10.685 9.445 1.00 0.00 N ATOM 0 H HIS A 52 2.076 5.294 10.942 1.00 0.00 H new ATOM 0 HA HIS A 52 2.207 7.218 13.071 1.00 0.00 H new ATOM 0 HB2 HIS A 52 4.167 7.347 11.920 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.466 6.667 10.465 1.00 0.00 H new ATOM 0 HD1 HIS A 52 4.931 9.713 11.675 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.700 8.843 9.123 1.00 0.00 H new ATOM 0 HE1 HIS A 52 4.399 11.840 10.364 1.00 0.00 H new ATOM 659 N ILE A 53 0.289 7.989 10.521 1.00 0.00 N ATOM 660 CA ILE A 53 -0.774 8.961 10.152 1.00 0.00 C ATOM 661 C ILE A 53 -1.952 8.753 11.089 1.00 0.00 C ATOM 662 O ILE A 53 -2.514 9.684 11.606 1.00 0.00 O ATOM 663 CB ILE A 53 -1.251 8.783 8.698 1.00 0.00 C ATOM 664 CG1 ILE A 53 -0.460 7.689 7.976 1.00 0.00 C ATOM 665 CG2 ILE A 53 -1.063 10.098 7.947 1.00 0.00 C ATOM 666 CD1 ILE A 53 -0.999 7.535 6.552 1.00 0.00 C ATOM 0 H ILE A 53 0.452 7.234 9.855 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.363 9.967 10.240 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.301 8.492 8.720 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.599 7.946 7.951 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.547 6.745 8.515 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.399 9.980 6.917 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.647 10.880 8.431 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.009 10.374 7.956 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.439 6.757 6.033 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.053 7.260 6.590 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.889 8.479 6.017 1.00 0.00 H new ATOM 678 N GLN A 54 -2.331 7.535 11.315 1.00 0.00 N ATOM 679 CA GLN A 54 -3.484 7.277 12.217 1.00 0.00 C ATOM 680 C GLN A 54 -3.348 8.088 13.501 1.00 0.00 C ATOM 681 O GLN A 54 -4.334 8.478 14.091 1.00 0.00 O ATOM 682 CB GLN A 54 -3.556 5.787 12.553 1.00 0.00 C ATOM 683 CG GLN A 54 -4.755 5.160 11.837 1.00 0.00 C ATOM 684 CD GLN A 54 -4.258 4.305 10.672 1.00 0.00 C ATOM 685 OE1 GLN A 54 -4.662 3.169 10.520 1.00 0.00 O ATOM 686 NE2 GLN A 54 -3.394 4.809 9.836 1.00 0.00 N ATOM 0 H GLN A 54 -1.895 6.704 10.916 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.399 7.578 11.708 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.636 5.289 12.248 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.650 5.650 13.630 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.329 4.548 12.533 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.423 5.940 11.472 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.056 5.763 9.965 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.056 4.250 9.053 1.00 0.00 H new ATOM 695 N THR A 55 -2.156 8.357 13.953 1.00 0.00 N ATOM 696 CA THR A 55 -2.045 9.153 15.204 1.00 0.00 C ATOM 697 C THR A 55 -2.162 10.636 14.869 1.00 0.00 C ATOM 698 O THR A 55 -2.850 11.377 15.542 1.00 0.00 O ATOM 699 CB THR A 55 -0.717 8.868 15.913 1.00 0.00 C ATOM 700 OG1 THR A 55 -0.511 9.840 16.930 1.00 0.00 O ATOM 701 CG2 THR A 55 0.437 8.928 14.912 1.00 0.00 C ATOM 0 H THR A 55 -1.276 8.069 13.524 1.00 0.00 H new ATOM 0 HA THR A 55 -2.852 8.870 15.879 1.00 0.00 H new ATOM 0 HB THR A 55 -0.753 7.872 16.354 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.337 9.660 17.387 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.376 8.724 15.427 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.281 8.183 14.132 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.478 9.920 14.463 1.00 0.00 H new ATOM 709 N HIS A 56 -1.515 11.077 13.832 1.00 0.00 N ATOM 710 CA HIS A 56 -1.615 12.505 13.463 1.00 0.00 C ATOM 711 C HIS A 56 -2.611 12.641 12.316 1.00 0.00 C ATOM 712 O HIS A 56 -2.560 13.563 11.526 1.00 0.00 O ATOM 713 CB HIS A 56 -0.217 13.025 13.109 1.00 0.00 C ATOM 714 CG HIS A 56 0.024 13.156 11.625 1.00 0.00 C ATOM 715 ND1 HIS A 56 -0.313 14.300 10.913 1.00 0.00 N ATOM 716 CD2 HIS A 56 0.732 12.374 10.756 1.00 0.00 C ATOM 717 CE1 HIS A 56 0.223 14.179 9.680 1.00 0.00 C ATOM 718 NE2 HIS A 56 0.875 13.022 9.534 1.00 0.00 N ATOM 0 H HIS A 56 -0.923 10.509 13.226 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.983 13.112 14.290 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.071 13.998 13.579 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.529 12.352 13.531 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -0.864 15.086 11.258 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.124 11.394 10.985 1.00 0.00 H new ATOM 0 HE1 HIS A 56 0.135 14.927 8.906 1.00 0.00 H new ATOM 726 N LEU A 57 -3.526 11.709 12.235 1.00 0.00 N ATOM 727 CA LEU A 57 -4.549 11.744 11.162 1.00 0.00 C ATOM 728 C LEU A 57 -5.895 11.243 11.707 1.00 0.00 C ATOM 729 O LEU A 57 -6.936 11.539 11.154 1.00 0.00 O ATOM 730 CB LEU A 57 -4.091 10.850 10.005 1.00 0.00 C ATOM 731 CG LEU A 57 -4.961 11.079 8.768 1.00 0.00 C ATOM 732 CD1 LEU A 57 -5.235 12.573 8.590 1.00 0.00 C ATOM 733 CD2 LEU A 57 -4.219 10.550 7.539 1.00 0.00 C ATOM 0 H LEU A 57 -3.604 10.919 12.876 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.672 12.767 10.808 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.048 11.061 9.767 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.144 9.803 10.304 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.910 10.557 8.888 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.855 12.726 7.707 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.754 12.955 9.469 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.291 13.104 8.467 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.829 10.708 6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.273 11.081 7.429 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.025 9.484 7.662 1.00 0.00 H new ATOM 745 N GLU A 58 -5.898 10.490 12.783 1.00 0.00 N ATOM 746 CA GLU A 58 -7.193 9.996 13.329 1.00 0.00 C ATOM 747 C GLU A 58 -8.015 11.181 13.844 1.00 0.00 C ATOM 748 O GLU A 58 -9.212 11.085 14.028 1.00 0.00 O ATOM 749 CB GLU A 58 -6.927 9.023 14.479 1.00 0.00 C ATOM 750 CG GLU A 58 -6.063 9.708 15.540 1.00 0.00 C ATOM 751 CD GLU A 58 -6.955 10.216 16.674 1.00 0.00 C ATOM 752 OE1 GLU A 58 -8.110 10.504 16.409 1.00 0.00 O ATOM 753 OE2 GLU A 58 -6.468 10.308 17.789 1.00 0.00 O ATOM 0 H GLU A 58 -5.067 10.201 13.298 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.746 9.484 12.541 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.870 8.697 14.918 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.424 8.131 14.105 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.324 9.008 15.930 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.513 10.538 15.096 1.00 0.00 H new ATOM 760 N ASP A 59 -7.382 12.299 14.075 1.00 0.00 N ATOM 761 CA ASP A 59 -8.128 13.489 14.575 1.00 0.00 C ATOM 762 C ASP A 59 -7.437 14.765 14.091 1.00 0.00 C ATOM 763 O ASP A 59 -7.088 15.628 14.873 1.00 0.00 O ATOM 764 CB ASP A 59 -8.152 13.469 16.106 1.00 0.00 C ATOM 765 CG ASP A 59 -6.720 13.419 16.640 1.00 0.00 C ATOM 766 OD1 ASP A 59 -5.807 13.566 15.845 1.00 0.00 O ATOM 767 OD2 ASP A 59 -6.561 13.234 17.836 1.00 0.00 O ATOM 0 H ASP A 59 -6.381 12.440 13.939 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.149 13.464 14.195 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.661 14.356 16.484 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.713 12.604 16.460 1.00 0.00 H new ATOM 772 N ARG A 60 -7.238 14.893 12.807 1.00 0.00 N ATOM 773 CA ARG A 60 -6.571 16.113 12.273 1.00 0.00 C ATOM 774 C ARG A 60 -5.118 16.153 12.752 1.00 0.00 C ATOM 775 O ARG A 60 -4.593 15.100 13.074 1.00 0.00 O ATOM 776 CB ARG A 60 -7.308 17.358 12.773 1.00 0.00 C ATOM 777 CG ARG A 60 -7.857 18.142 11.578 1.00 0.00 C ATOM 778 CD ARG A 60 -7.540 19.628 11.753 1.00 0.00 C ATOM 779 NE ARG A 60 -7.605 20.309 10.430 1.00 0.00 N ATOM 780 CZ ARG A 60 -7.884 21.582 10.364 1.00 0.00 C ATOM 781 NH1 ARG A 60 -7.491 22.384 11.316 1.00 0.00 N ATOM 782 NH2 ARG A 60 -8.553 22.053 9.347 1.00 0.00 N ATOM 783 OXT ARG A 60 -4.555 17.234 12.786 1.00 0.00 O ATOM 0 H ARG A 60 -7.509 14.204 12.105 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.593 16.091 11.183 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.123 17.069 13.437 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -6.631 17.986 13.353 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -7.415 17.772 10.653 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.934 17.996 11.498 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.250 20.083 12.444 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.548 19.750 12.189 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.431 19.780 9.575 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.967 22.015 12.110 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.708 23.379 11.266 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.858 21.426 8.603 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.771 23.048 9.296 1.00 0.00 H new TER 797 ARG A 60 HETATM 798 ZN ZN A 61 2.006 12.029 8.220 1.00 0.00 ZN