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 27 MET CE :methyl -139:sc= -3.63! (180deg=-8.19!) USER MOD Set 1.2: A 31 THR OG1 : rot 82:sc= 0.529 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0195) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.539 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= -0.911 K(o=-0.91,f=-0.047) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -2.91! K(o=-2.9!,f=-1.4) USER MOD Single : A 55 THR OG1 : rot -55:sc= 0.398 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -16.593 4.081 13.033 1.00 0.00 N ATOM 2 CA THR A 14 -16.512 2.601 12.882 1.00 0.00 C ATOM 3 C THR A 14 -15.890 2.260 11.526 1.00 0.00 C ATOM 4 O THR A 14 -16.180 2.885 10.525 1.00 0.00 O ATOM 5 CB THR A 14 -17.917 2.001 12.963 1.00 0.00 C ATOM 6 OG1 THR A 14 -17.927 0.736 12.318 1.00 0.00 O ATOM 7 CG2 THR A 14 -18.913 2.936 12.275 1.00 0.00 C ATOM 0 HA THR A 14 -15.895 2.188 13.680 1.00 0.00 H new ATOM 0 HB THR A 14 -18.201 1.878 14.008 1.00 0.00 H new ATOM 0 HG1 THR A 14 -18.826 0.349 12.370 1.00 0.00 H new ATOM 0 HG21 THR A 14 -19.914 2.508 12.333 1.00 0.00 H new ATOM 0 HG22 THR A 14 -18.904 3.906 12.772 1.00 0.00 H new ATOM 0 HG23 THR A 14 -18.632 3.061 11.229 1.00 0.00 H new ATOM 17 N LEU A 15 -15.038 1.272 11.486 1.00 0.00 N ATOM 18 CA LEU A 15 -14.400 0.891 10.195 1.00 0.00 C ATOM 19 C LEU A 15 -13.707 2.112 9.585 1.00 0.00 C ATOM 20 O LEU A 15 -14.248 2.756 8.709 1.00 0.00 O ATOM 21 CB LEU A 15 -15.471 0.380 9.229 1.00 0.00 C ATOM 22 CG LEU A 15 -16.104 -0.891 9.795 1.00 0.00 C ATOM 23 CD1 LEU A 15 -17.404 -1.192 9.047 1.00 0.00 C ATOM 24 CD2 LEU A 15 -15.135 -2.062 9.621 1.00 0.00 C ATOM 0 H LEU A 15 -14.757 0.713 12.291 1.00 0.00 H new ATOM 0 HA LEU A 15 -13.664 0.107 10.373 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -16.234 1.143 9.079 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -15.029 0.176 8.254 1.00 0.00 H new ATOM 0 HG LEU A 15 -16.319 -0.749 10.854 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -17.855 -2.098 9.451 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -18.095 -0.358 9.168 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -17.190 -1.335 7.988 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -15.585 -2.969 10.024 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -14.921 -2.203 8.562 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -14.208 -1.849 10.153 1.00 0.00 H new ATOM 36 N PRO A 16 -12.525 2.395 10.070 1.00 0.00 N ATOM 37 CA PRO A 16 -11.723 3.534 9.594 1.00 0.00 C ATOM 38 C PRO A 16 -11.044 3.191 8.264 1.00 0.00 C ATOM 39 O PRO A 16 -10.378 2.183 8.138 1.00 0.00 O ATOM 40 CB PRO A 16 -10.684 3.728 10.701 1.00 0.00 C ATOM 41 CG PRO A 16 -10.582 2.375 11.446 1.00 0.00 C ATOM 42 CD PRO A 16 -11.880 1.604 11.138 1.00 0.00 C ATOM 0 HA PRO A 16 -12.317 4.430 9.410 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.719 4.015 10.282 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.985 4.524 11.381 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.709 1.814 11.112 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.469 2.531 12.519 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.670 0.586 10.809 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -12.518 1.529 12.019 1.00 0.00 H new ATOM 50 N ARG A 17 -11.207 4.023 7.272 1.00 0.00 N ATOM 51 CA ARG A 17 -10.571 3.742 5.953 1.00 0.00 C ATOM 52 C ARG A 17 -10.761 4.945 5.026 1.00 0.00 C ATOM 53 O ARG A 17 -10.946 4.799 3.834 1.00 0.00 O ATOM 54 CB ARG A 17 -11.219 2.506 5.326 1.00 0.00 C ATOM 55 CG ARG A 17 -12.689 2.798 5.017 1.00 0.00 C ATOM 56 CD ARG A 17 -13.548 2.441 6.230 1.00 0.00 C ATOM 57 NE ARG A 17 -14.600 3.478 6.417 1.00 0.00 N ATOM 58 CZ ARG A 17 -15.668 3.468 5.669 1.00 0.00 C ATOM 59 NH1 ARG A 17 -15.665 4.088 4.521 1.00 0.00 N ATOM 60 NH2 ARG A 17 -16.738 2.837 6.067 1.00 0.00 N ATOM 0 H ARG A 17 -11.752 4.884 7.317 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.506 3.560 6.096 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.692 2.231 4.412 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.141 1.658 6.006 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.816 3.851 4.766 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.010 2.222 4.149 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -14.008 1.463 6.088 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.926 2.374 7.122 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.485 4.197 7.131 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.828 4.580 4.209 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.500 4.081 3.935 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.740 2.351 6.964 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.573 2.830 5.481 1.00 0.00 H new ATOM 74 N GLY A 18 -10.716 6.134 5.562 1.00 0.00 N ATOM 75 CA GLY A 18 -10.894 7.342 4.709 1.00 0.00 C ATOM 76 C GLY A 18 -10.109 8.510 5.305 1.00 0.00 C ATOM 77 O GLY A 18 -10.329 9.656 4.966 1.00 0.00 O ATOM 0 H GLY A 18 -10.564 6.321 6.553 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.549 7.138 3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.951 7.599 4.640 1.00 0.00 H new ATOM 81 N SER A 19 -9.192 8.231 6.190 1.00 0.00 N ATOM 82 CA SER A 19 -8.394 9.324 6.804 1.00 0.00 C ATOM 83 C SER A 19 -6.910 9.086 6.532 1.00 0.00 C ATOM 84 O SER A 19 -6.174 9.996 6.208 1.00 0.00 O ATOM 85 CB SER A 19 -8.640 9.355 8.313 1.00 0.00 C ATOM 86 OG SER A 19 -10.018 9.604 8.559 1.00 0.00 O ATOM 0 H SER A 19 -8.962 7.291 6.513 1.00 0.00 H new ATOM 0 HA SER A 19 -8.694 10.278 6.371 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.344 8.406 8.761 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.030 10.130 8.777 1.00 0.00 H new ATOM 0 HG SER A 19 -10.180 9.623 9.525 1.00 0.00 H new ATOM 92 N ILE A 20 -6.465 7.868 6.664 1.00 0.00 N ATOM 93 CA ILE A 20 -5.030 7.567 6.416 1.00 0.00 C ATOM 94 C ILE A 20 -4.865 6.994 5.008 1.00 0.00 C ATOM 95 O ILE A 20 -3.876 7.229 4.343 1.00 0.00 O ATOM 96 CB ILE A 20 -4.536 6.553 7.450 1.00 0.00 C ATOM 97 CG1 ILE A 20 -4.394 7.247 8.805 1.00 0.00 C ATOM 98 CG2 ILE A 20 -3.178 5.995 7.018 1.00 0.00 C ATOM 99 CD1 ILE A 20 -5.743 7.827 9.222 1.00 0.00 C ATOM 0 H ILE A 20 -7.036 7.067 6.934 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.444 8.482 6.502 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.252 5.734 7.528 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.044 6.537 9.554 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.648 8.040 8.744 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.829 5.273 7.757 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.278 5.504 6.050 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.458 6.810 6.939 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.643 8.322 10.188 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.075 8.550 8.476 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.476 7.024 9.300 1.00 0.00 H new ATOM 111 N ASP A 21 -5.828 6.247 4.548 1.00 0.00 N ATOM 112 CA ASP A 21 -5.729 5.665 3.182 1.00 0.00 C ATOM 113 C ASP A 21 -5.869 6.785 2.149 1.00 0.00 C ATOM 114 O ASP A 21 -5.575 6.610 0.984 1.00 0.00 O ATOM 115 CB ASP A 21 -6.846 4.640 2.979 1.00 0.00 C ATOM 116 CG ASP A 21 -6.725 3.536 4.031 1.00 0.00 C ATOM 117 OD1 ASP A 21 -7.282 3.704 5.104 1.00 0.00 O ATOM 118 OD2 ASP A 21 -6.077 2.543 3.748 1.00 0.00 O ATOM 0 H ASP A 21 -6.680 6.014 5.059 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.764 5.173 3.062 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.818 5.126 3.057 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.783 4.212 1.979 1.00 0.00 H new ATOM 123 N LYS A 22 -6.315 7.936 2.573 1.00 0.00 N ATOM 124 CA LYS A 22 -6.474 9.070 1.621 1.00 0.00 C ATOM 125 C LYS A 22 -5.178 9.884 1.577 1.00 0.00 C ATOM 126 O LYS A 22 -5.089 10.886 0.896 1.00 0.00 O ATOM 127 CB LYS A 22 -7.624 9.966 2.085 1.00 0.00 C ATOM 128 CG LYS A 22 -8.698 10.029 0.998 1.00 0.00 C ATOM 129 CD LYS A 22 -9.344 11.417 0.995 1.00 0.00 C ATOM 130 CE LYS A 22 -10.022 11.670 2.343 1.00 0.00 C ATOM 131 NZ LYS A 22 -9.339 12.796 3.041 1.00 0.00 N ATOM 0 H LYS A 22 -6.576 8.139 3.538 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.693 8.683 0.626 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.051 9.577 3.010 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.253 10.968 2.302 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.256 9.820 0.024 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.455 9.265 1.175 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.589 12.180 0.807 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.075 11.487 0.190 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.075 11.907 2.193 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.982 10.770 2.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.455 12.689 4.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.326 12.788 2.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.759 13.698 2.738 1.00 0.00 H new ATOM 145 N TYR A 23 -4.174 9.465 2.298 1.00 0.00 N ATOM 146 CA TYR A 23 -2.890 10.221 2.293 1.00 0.00 C ATOM 147 C TYR A 23 -1.719 9.244 2.415 1.00 0.00 C ATOM 148 O TYR A 23 -0.884 9.368 3.288 1.00 0.00 O ATOM 149 CB TYR A 23 -2.867 11.195 3.472 1.00 0.00 C ATOM 150 CG TYR A 23 -3.836 12.325 3.213 1.00 0.00 C ATOM 151 CD1 TYR A 23 -3.854 12.960 1.965 1.00 0.00 C ATOM 152 CD2 TYR A 23 -4.717 12.736 4.220 1.00 0.00 C ATOM 153 CE1 TYR A 23 -4.752 14.008 1.725 1.00 0.00 C ATOM 154 CE2 TYR A 23 -5.615 13.783 3.981 1.00 0.00 C ATOM 155 CZ TYR A 23 -5.632 14.418 2.733 1.00 0.00 C ATOM 156 OH TYR A 23 -6.518 15.451 2.497 1.00 0.00 O ATOM 0 H TYR A 23 -4.187 8.634 2.889 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.801 10.777 1.360 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.136 10.675 4.392 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.861 11.590 3.611 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -3.175 12.642 1.187 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -4.704 12.245 5.182 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.765 14.499 0.763 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.294 14.101 4.758 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.057 15.609 3.300 1.00 0.00 H new ATOM 166 N VAL A 24 -1.650 8.273 1.545 1.00 0.00 N ATOM 167 CA VAL A 24 -0.532 7.290 1.612 1.00 0.00 C ATOM 168 C VAL A 24 0.090 7.128 0.223 1.00 0.00 C ATOM 169 O VAL A 24 -0.485 6.518 -0.657 1.00 0.00 O ATOM 170 CB VAL A 24 -1.069 5.941 2.092 1.00 0.00 C ATOM 171 CG1 VAL A 24 0.077 4.929 2.156 1.00 0.00 C ATOM 172 CG2 VAL A 24 -1.684 6.100 3.483 1.00 0.00 C ATOM 0 H VAL A 24 -2.319 8.118 0.791 1.00 0.00 H new ATOM 0 HA VAL A 24 0.226 7.648 2.309 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.830 5.587 1.397 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.305 3.967 2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.516 4.813 1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.838 5.285 2.851 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.066 5.138 3.824 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.924 6.455 4.179 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.501 6.820 3.439 1.00 0.00 H new ATOM 182 N LYS A 25 1.261 7.668 0.018 1.00 0.00 N ATOM 183 CA LYS A 25 1.916 7.544 -1.315 1.00 0.00 C ATOM 184 C LYS A 25 2.940 6.408 -1.279 1.00 0.00 C ATOM 185 O LYS A 25 4.100 6.615 -0.984 1.00 0.00 O ATOM 186 CB LYS A 25 2.622 8.856 -1.662 1.00 0.00 C ATOM 187 CG LYS A 25 3.208 8.764 -3.072 1.00 0.00 C ATOM 188 CD LYS A 25 2.971 10.082 -3.812 1.00 0.00 C ATOM 189 CE LYS A 25 3.347 9.916 -5.285 1.00 0.00 C ATOM 190 NZ LYS A 25 4.658 10.578 -5.540 1.00 0.00 N ATOM 0 H LYS A 25 1.792 8.189 0.716 1.00 0.00 H new ATOM 0 HA LYS A 25 1.160 7.327 -2.070 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.918 9.686 -1.603 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.414 9.057 -0.940 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.276 8.551 -3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.745 7.941 -3.616 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.926 10.378 -3.724 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.566 10.876 -3.361 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.406 8.858 -5.539 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.577 10.354 -5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.915 10.466 -6.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.586 11.590 -5.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.390 10.141 -4.944 1.00 0.00 H new ATOM 204 N GLU A 26 2.522 5.208 -1.581 1.00 0.00 N ATOM 205 CA GLU A 26 3.474 4.061 -1.567 1.00 0.00 C ATOM 206 C GLU A 26 4.106 3.908 -2.951 1.00 0.00 C ATOM 207 O GLU A 26 3.423 3.716 -3.938 1.00 0.00 O ATOM 208 CB GLU A 26 2.724 2.777 -1.206 1.00 0.00 C ATOM 209 CG GLU A 26 3.625 1.568 -1.466 1.00 0.00 C ATOM 210 CD GLU A 26 2.949 0.302 -0.937 1.00 0.00 C ATOM 211 OE1 GLU A 26 2.135 0.422 -0.035 1.00 0.00 O ATOM 212 OE2 GLU A 26 3.254 -0.765 -1.443 1.00 0.00 O ATOM 0 H GLU A 26 1.563 4.973 -1.837 1.00 0.00 H new ATOM 0 HA GLU A 26 4.253 4.246 -0.828 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.424 2.801 -0.158 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.812 2.698 -1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.820 1.470 -2.534 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.589 1.709 -0.978 1.00 0.00 H new ATOM 219 N MET A 27 5.405 3.992 -3.034 1.00 0.00 N ATOM 220 CA MET A 27 6.077 3.852 -4.356 1.00 0.00 C ATOM 221 C MET A 27 6.627 2.428 -4.499 1.00 0.00 C ATOM 222 O MET A 27 7.096 1.847 -3.535 1.00 0.00 O ATOM 223 CB MET A 27 7.227 4.855 -4.450 1.00 0.00 C ATOM 224 CG MET A 27 6.719 6.252 -4.090 1.00 0.00 C ATOM 225 SD MET A 27 7.556 7.482 -5.121 1.00 0.00 S ATOM 226 CE MET A 27 8.577 8.215 -3.819 1.00 0.00 C ATOM 0 H MET A 27 6.030 4.151 -2.244 1.00 0.00 H new ATOM 0 HA MET A 27 5.359 4.046 -5.153 1.00 0.00 H new ATOM 0 HB2 MET A 27 8.032 4.565 -3.775 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.641 4.856 -5.458 1.00 0.00 H new ATOM 0 HG2 MET A 27 5.641 6.309 -4.240 1.00 0.00 H new ATOM 0 HG3 MET A 27 6.905 6.458 -3.036 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.599 9.298 -3.940 1.00 0.00 H new ATOM 0 HE2 MET A 27 8.157 7.967 -2.844 1.00 0.00 H new ATOM 0 HE3 MET A 27 9.591 7.822 -3.887 1.00 0.00 H new ATOM 236 N PRO A 28 6.563 1.913 -5.703 1.00 0.00 N ATOM 237 CA PRO A 28 7.047 0.556 -6.010 1.00 0.00 C ATOM 238 C PRO A 28 8.572 0.528 -5.972 1.00 0.00 C ATOM 239 O PRO A 28 9.188 -0.520 -5.990 1.00 0.00 O ATOM 240 CB PRO A 28 6.506 0.283 -7.417 1.00 0.00 C ATOM 241 CG PRO A 28 6.224 1.666 -8.046 1.00 0.00 C ATOM 242 CD PRO A 28 6.026 2.643 -6.871 1.00 0.00 C ATOM 0 HA PRO A 28 6.716 -0.199 -5.297 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.230 -0.275 -8.011 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.598 -0.318 -7.375 1.00 0.00 H new ATOM 0 HG2 PRO A 28 7.053 1.982 -8.679 1.00 0.00 H new ATOM 0 HG3 PRO A 28 5.336 1.632 -8.678 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.560 3.579 -7.036 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.974 2.895 -6.735 1.00 0.00 H new ATOM 250 N ASP A 29 9.186 1.675 -5.889 1.00 0.00 N ATOM 251 CA ASP A 29 10.668 1.720 -5.815 1.00 0.00 C ATOM 252 C ASP A 29 11.081 1.624 -4.344 1.00 0.00 C ATOM 253 O ASP A 29 12.200 1.923 -3.985 1.00 0.00 O ATOM 254 CB ASP A 29 11.181 3.035 -6.411 1.00 0.00 C ATOM 255 CG ASP A 29 10.286 4.189 -5.953 1.00 0.00 C ATOM 256 OD1 ASP A 29 9.693 4.067 -4.896 1.00 0.00 O ATOM 257 OD2 ASP A 29 10.211 5.175 -6.669 1.00 0.00 O ATOM 0 H ASP A 29 8.722 2.583 -5.869 1.00 0.00 H new ATOM 0 HA ASP A 29 11.094 0.891 -6.380 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.209 3.212 -6.096 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.186 2.975 -7.499 1.00 0.00 H new ATOM 262 N LYS A 30 10.167 1.212 -3.496 1.00 0.00 N ATOM 263 CA LYS A 30 10.463 1.087 -2.046 1.00 0.00 C ATOM 264 C LYS A 30 10.471 2.474 -1.410 1.00 0.00 C ATOM 265 O LYS A 30 11.446 2.892 -0.817 1.00 0.00 O ATOM 266 CB LYS A 30 11.819 0.415 -1.854 1.00 0.00 C ATOM 267 CG LYS A 30 11.869 -0.878 -2.669 1.00 0.00 C ATOM 268 CD LYS A 30 12.085 -2.067 -1.730 1.00 0.00 C ATOM 269 CE LYS A 30 13.583 -2.348 -1.598 1.00 0.00 C ATOM 270 NZ LYS A 30 13.793 -3.803 -1.352 1.00 0.00 N ATOM 0 H LYS A 30 9.216 0.955 -3.759 1.00 0.00 H new ATOM 0 HA LYS A 30 9.696 0.477 -1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.617 1.087 -2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.983 0.198 -0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.941 -1.005 -3.226 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.675 -0.828 -3.401 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.657 -1.853 -0.751 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.572 -2.947 -2.117 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.103 -2.042 -2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.003 -1.765 -0.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.811 -3.996 -1.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.309 -4.080 -0.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.406 -4.349 -2.148 1.00 0.00 H new ATOM 284 N THR A 31 9.388 3.193 -1.528 1.00 0.00 N ATOM 285 CA THR A 31 9.335 4.553 -0.929 1.00 0.00 C ATOM 286 C THR A 31 7.972 4.781 -0.273 1.00 0.00 C ATOM 287 O THR A 31 7.106 3.928 -0.296 1.00 0.00 O ATOM 288 CB THR A 31 9.553 5.600 -2.018 1.00 0.00 C ATOM 289 OG1 THR A 31 10.488 5.107 -2.968 1.00 0.00 O ATOM 290 CG2 THR A 31 10.087 6.889 -1.392 1.00 0.00 C ATOM 0 H THR A 31 8.541 2.897 -2.012 1.00 0.00 H new ATOM 0 HA THR A 31 10.117 4.640 -0.175 1.00 0.00 H new ATOM 0 HB THR A 31 8.606 5.808 -2.516 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.028 4.523 -3.606 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.242 7.635 -2.171 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.367 7.267 -0.666 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.034 6.685 -0.891 1.00 0.00 H new ATOM 298 N PHE A 32 7.779 5.931 0.310 1.00 0.00 N ATOM 299 CA PHE A 32 6.479 6.234 0.971 1.00 0.00 C ATOM 300 C PHE A 32 6.380 7.742 1.201 1.00 0.00 C ATOM 301 O PHE A 32 7.364 8.399 1.478 1.00 0.00 O ATOM 302 CB PHE A 32 6.408 5.508 2.315 1.00 0.00 C ATOM 303 CG PHE A 32 5.500 4.309 2.196 1.00 0.00 C ATOM 304 CD1 PHE A 32 4.123 4.449 2.406 1.00 0.00 C ATOM 305 CD2 PHE A 32 6.036 3.056 1.877 1.00 0.00 C ATOM 306 CE1 PHE A 32 3.282 3.336 2.298 1.00 0.00 C ATOM 307 CE2 PHE A 32 5.195 1.942 1.770 1.00 0.00 C ATOM 308 CZ PHE A 32 3.818 2.082 1.980 1.00 0.00 C ATOM 0 H PHE A 32 8.471 6.679 0.357 1.00 0.00 H new ATOM 0 HA PHE A 32 5.656 5.901 0.338 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.405 5.192 2.622 1.00 0.00 H new ATOM 0 HB3 PHE A 32 6.036 6.183 3.085 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.710 5.416 2.651 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.098 2.949 1.713 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.220 3.444 2.460 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.608 0.975 1.525 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.169 1.223 1.897 1.00 0.00 H new ATOM 318 N GLU A 33 5.208 8.302 1.084 1.00 0.00 N ATOM 319 CA GLU A 33 5.076 9.770 1.293 1.00 0.00 C ATOM 320 C GLU A 33 3.708 10.101 1.894 1.00 0.00 C ATOM 321 O GLU A 33 2.714 10.179 1.200 1.00 0.00 O ATOM 322 CB GLU A 33 5.225 10.489 -0.049 1.00 0.00 C ATOM 323 CG GLU A 33 6.404 11.460 0.023 1.00 0.00 C ATOM 324 CD GLU A 33 5.896 12.851 0.403 1.00 0.00 C ATOM 325 OE1 GLU A 33 4.895 12.926 1.097 1.00 0.00 O ATOM 326 OE2 GLU A 33 6.516 13.819 -0.005 1.00 0.00 O ATOM 0 H GLU A 33 4.343 7.812 0.855 1.00 0.00 H new ATOM 0 HA GLU A 33 5.855 10.100 1.981 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.385 9.764 -0.847 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.309 11.029 -0.288 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.130 11.113 0.758 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.917 11.498 -0.938 1.00 0.00 H new ATOM 333 N CYS A 34 3.657 10.321 3.179 1.00 0.00 N ATOM 334 CA CYS A 34 2.362 10.675 3.825 1.00 0.00 C ATOM 335 C CYS A 34 1.805 11.917 3.124 1.00 0.00 C ATOM 336 O CYS A 34 2.286 13.016 3.314 1.00 0.00 O ATOM 337 CB CYS A 34 2.621 10.972 5.303 1.00 0.00 C ATOM 338 SG CYS A 34 1.061 11.183 6.198 1.00 0.00 S ATOM 0 H CYS A 34 4.457 10.271 3.810 1.00 0.00 H new ATOM 0 HA CYS A 34 1.644 9.858 3.745 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.193 10.158 5.747 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.225 11.875 5.397 1.00 0.00 H new ATOM 343 N LEU A 35 0.816 11.747 2.288 1.00 0.00 N ATOM 344 CA LEU A 35 0.255 12.913 1.545 1.00 0.00 C ATOM 345 C LEU A 35 -0.625 13.775 2.456 1.00 0.00 C ATOM 346 O LEU A 35 -1.270 14.699 2.001 1.00 0.00 O ATOM 347 CB LEU A 35 -0.582 12.407 0.367 1.00 0.00 C ATOM 348 CG LEU A 35 0.256 11.447 -0.478 1.00 0.00 C ATOM 349 CD1 LEU A 35 -0.386 10.059 -0.461 1.00 0.00 C ATOM 350 CD2 LEU A 35 0.320 11.962 -1.917 1.00 0.00 C ATOM 0 H LEU A 35 0.372 10.851 2.087 1.00 0.00 H new ATOM 0 HA LEU A 35 1.083 13.524 1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.476 11.901 0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.917 13.247 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 35 1.264 11.385 -0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.211 9.374 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.434 9.693 0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.394 10.119 -0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.917 11.279 -2.522 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.688 12.023 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.777 12.952 -1.929 1.00 0.00 H new ATOM 362 N PHE A 36 -0.662 13.502 3.731 1.00 0.00 N ATOM 363 CA PHE A 36 -1.508 14.338 4.628 1.00 0.00 C ATOM 364 C PHE A 36 -1.023 15.789 4.563 1.00 0.00 C ATOM 365 O PHE A 36 0.165 16.038 4.501 1.00 0.00 O ATOM 366 CB PHE A 36 -1.388 13.829 6.062 1.00 0.00 C ATOM 367 CG PHE A 36 -2.227 14.689 6.975 1.00 0.00 C ATOM 368 CD1 PHE A 36 -1.704 15.877 7.498 1.00 0.00 C ATOM 369 CD2 PHE A 36 -3.524 14.292 7.312 1.00 0.00 C ATOM 370 CE1 PHE A 36 -2.475 16.664 8.358 1.00 0.00 C ATOM 371 CE2 PHE A 36 -4.299 15.079 8.170 1.00 0.00 C ATOM 372 CZ PHE A 36 -3.773 16.266 8.696 1.00 0.00 C ATOM 0 H PHE A 36 -0.150 12.746 4.186 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.549 14.281 4.309 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.717 12.791 6.119 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.346 13.851 6.381 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.703 16.186 7.237 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.929 13.375 6.909 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.069 17.580 8.762 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.302 14.772 8.427 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.369 16.873 9.362 1.00 0.00 H new ATOM 382 N PRO A 37 -1.954 16.710 4.583 1.00 0.00 N ATOM 383 CA PRO A 37 -1.638 18.146 4.530 1.00 0.00 C ATOM 384 C PRO A 37 -1.092 18.613 5.878 1.00 0.00 C ATOM 385 O PRO A 37 -1.789 18.642 6.872 1.00 0.00 O ATOM 386 CB PRO A 37 -2.983 18.803 4.206 1.00 0.00 C ATOM 387 CG PRO A 37 -4.074 17.794 4.635 1.00 0.00 C ATOM 388 CD PRO A 37 -3.400 16.409 4.666 1.00 0.00 C ATOM 0 HA PRO A 37 -0.873 18.397 3.795 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.094 19.746 4.741 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.059 19.029 3.142 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.477 18.051 5.614 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.909 17.804 3.934 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.643 15.868 5.581 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.727 15.788 3.832 1.00 0.00 H new ATOM 396 N GLY A 38 0.162 18.965 5.916 1.00 0.00 N ATOM 397 CA GLY A 38 0.778 19.412 7.192 1.00 0.00 C ATOM 398 C GLY A 38 1.891 18.432 7.561 1.00 0.00 C ATOM 399 O GLY A 38 2.758 18.728 8.359 1.00 0.00 O ATOM 0 H GLY A 38 0.789 18.962 5.112 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.180 20.420 7.086 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.028 19.449 7.982 1.00 0.00 H new ATOM 403 N CYS A 39 1.869 17.264 6.976 1.00 0.00 N ATOM 404 CA CYS A 39 2.924 16.254 7.281 1.00 0.00 C ATOM 405 C CYS A 39 4.261 16.717 6.699 1.00 0.00 C ATOM 406 O CYS A 39 4.324 17.654 5.929 1.00 0.00 O ATOM 407 CB CYS A 39 2.539 14.913 6.654 1.00 0.00 C ATOM 408 SG CYS A 39 3.472 13.582 7.449 1.00 0.00 S ATOM 0 H CYS A 39 1.166 16.966 6.300 1.00 0.00 H new ATOM 0 HA CYS A 39 3.016 16.142 8.361 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.469 14.740 6.769 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.746 14.927 5.584 1.00 0.00 H new ATOM 413 N THR A 40 5.332 16.064 7.062 1.00 0.00 N ATOM 414 CA THR A 40 6.666 16.459 6.530 1.00 0.00 C ATOM 415 C THR A 40 7.644 15.293 6.695 1.00 0.00 C ATOM 416 O THR A 40 8.841 15.484 6.780 1.00 0.00 O ATOM 417 CB THR A 40 7.184 17.675 7.305 1.00 0.00 C ATOM 418 OG1 THR A 40 6.104 18.289 7.995 1.00 0.00 O ATOM 419 CG2 THR A 40 7.807 18.676 6.332 1.00 0.00 C ATOM 0 H THR A 40 5.340 15.273 7.705 1.00 0.00 H new ATOM 0 HA THR A 40 6.577 16.713 5.474 1.00 0.00 H new ATOM 0 HB THR A 40 7.939 17.354 8.023 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.433 19.066 8.493 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.175 19.540 6.885 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.635 18.203 5.804 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.055 18.999 5.612 1.00 0.00 H new ATOM 427 N LYS A 41 7.145 14.086 6.747 1.00 0.00 N ATOM 428 CA LYS A 41 8.054 12.914 6.914 1.00 0.00 C ATOM 429 C LYS A 41 7.731 11.849 5.863 1.00 0.00 C ATOM 430 O LYS A 41 6.585 11.567 5.577 1.00 0.00 O ATOM 431 CB LYS A 41 7.865 12.322 8.312 1.00 0.00 C ATOM 432 CG LYS A 41 9.230 11.969 8.907 1.00 0.00 C ATOM 433 CD LYS A 41 9.330 12.533 10.326 1.00 0.00 C ATOM 434 CE LYS A 41 8.393 11.757 11.252 1.00 0.00 C ATOM 435 NZ LYS A 41 8.198 12.521 12.517 1.00 0.00 N ATOM 0 H LYS A 41 6.152 13.862 6.681 1.00 0.00 H new ATOM 0 HA LYS A 41 9.087 13.240 6.788 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.351 13.037 8.954 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.238 11.432 8.260 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.362 10.887 8.924 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.026 12.378 8.285 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.356 12.460 10.686 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.066 13.591 10.328 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.433 11.594 10.762 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.811 10.774 11.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.561 11.993 13.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.116 12.655 12.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.781 13.449 12.301 1.00 0.00 H new ATOM 449 N THR A 42 8.741 11.246 5.292 1.00 0.00 N ATOM 450 CA THR A 42 8.505 10.189 4.267 1.00 0.00 C ATOM 451 C THR A 42 9.205 8.903 4.710 1.00 0.00 C ATOM 452 O THR A 42 10.134 8.934 5.494 1.00 0.00 O ATOM 453 CB THR A 42 9.072 10.644 2.921 1.00 0.00 C ATOM 454 OG1 THR A 42 10.453 10.313 2.855 1.00 0.00 O ATOM 455 CG2 THR A 42 8.899 12.157 2.777 1.00 0.00 C ATOM 0 H THR A 42 9.722 11.441 5.493 1.00 0.00 H new ATOM 0 HA THR A 42 7.435 10.009 4.162 1.00 0.00 H new ATOM 0 HB THR A 42 8.539 10.143 2.113 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.818 10.602 1.993 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.303 12.480 1.818 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.840 12.409 2.827 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.431 12.662 3.583 1.00 0.00 H new ATOM 463 N PHE A 43 8.771 7.772 4.225 1.00 0.00 N ATOM 464 CA PHE A 43 9.421 6.495 4.637 1.00 0.00 C ATOM 465 C PHE A 43 9.636 5.606 3.410 1.00 0.00 C ATOM 466 O PHE A 43 9.473 6.033 2.284 1.00 0.00 O ATOM 467 CB PHE A 43 8.525 5.767 5.643 1.00 0.00 C ATOM 468 CG PHE A 43 7.774 6.774 6.483 1.00 0.00 C ATOM 469 CD1 PHE A 43 6.739 7.529 5.914 1.00 0.00 C ATOM 470 CD2 PHE A 43 8.108 6.950 7.831 1.00 0.00 C ATOM 471 CE1 PHE A 43 6.040 8.457 6.693 1.00 0.00 C ATOM 472 CE2 PHE A 43 7.407 7.881 8.609 1.00 0.00 C ATOM 473 CZ PHE A 43 6.374 8.634 8.039 1.00 0.00 C ATOM 0 H PHE A 43 7.999 7.676 3.565 1.00 0.00 H new ATOM 0 HA PHE A 43 10.384 6.714 5.098 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.821 5.122 5.117 1.00 0.00 H new ATOM 0 HB3 PHE A 43 9.129 5.124 6.283 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.481 7.394 4.874 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.905 6.369 8.271 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.242 9.037 6.254 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.664 8.018 9.649 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.835 9.352 8.639 1.00 0.00 H new ATOM 483 N LYS A 44 10.000 4.370 3.621 1.00 0.00 N ATOM 484 CA LYS A 44 10.227 3.452 2.470 1.00 0.00 C ATOM 485 C LYS A 44 9.233 2.291 2.539 1.00 0.00 C ATOM 486 O LYS A 44 8.347 2.267 3.370 1.00 0.00 O ATOM 487 CB LYS A 44 11.655 2.904 2.525 1.00 0.00 C ATOM 488 CG LYS A 44 12.651 4.065 2.509 1.00 0.00 C ATOM 489 CD LYS A 44 13.823 3.720 1.589 1.00 0.00 C ATOM 490 CE LYS A 44 14.968 3.134 2.417 1.00 0.00 C ATOM 491 NZ LYS A 44 16.160 2.932 1.544 1.00 0.00 N ATOM 0 H LYS A 44 10.150 3.957 4.541 1.00 0.00 H new ATOM 0 HA LYS A 44 10.084 3.999 1.538 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.792 2.307 3.427 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.835 2.245 1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.160 4.975 2.164 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.013 4.261 3.518 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.505 3.004 0.831 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.161 4.613 1.063 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.216 3.804 3.240 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.663 2.186 2.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.939 2.534 2.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.919 2.277 0.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.455 3.845 1.142 1.00 0.00 H new ATOM 505 N ARG A 45 9.374 1.326 1.672 1.00 0.00 N ATOM 506 CA ARG A 45 8.438 0.166 1.687 1.00 0.00 C ATOM 507 C ARG A 45 8.253 -0.322 3.125 1.00 0.00 C ATOM 508 O ARG A 45 9.091 -1.016 3.668 1.00 0.00 O ATOM 509 CB ARG A 45 9.016 -0.967 0.835 1.00 0.00 C ATOM 510 CG ARG A 45 8.038 -2.143 0.816 1.00 0.00 C ATOM 511 CD ARG A 45 8.821 -3.456 0.742 1.00 0.00 C ATOM 512 NE ARG A 45 8.233 -4.328 -0.313 1.00 0.00 N ATOM 513 CZ ARG A 45 7.966 -5.579 -0.054 1.00 0.00 C ATOM 514 NH1 ARG A 45 7.356 -5.900 1.054 1.00 0.00 N ATOM 515 NH2 ARG A 45 8.312 -6.509 -0.902 1.00 0.00 N ATOM 0 H ARG A 45 10.097 1.291 0.954 1.00 0.00 H new ATOM 0 HA ARG A 45 7.474 0.472 1.280 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.198 -0.616 -0.181 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.977 -1.286 1.239 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.417 -2.128 1.711 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.367 -2.058 -0.039 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.869 -3.255 0.520 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.792 -3.964 1.706 1.00 0.00 H new ATOM 0 HE ARG A 45 8.039 -3.947 -1.239 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.088 -5.173 1.718 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.147 -6.878 1.256 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.791 -6.258 -1.767 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.103 -7.487 -0.700 1.00 0.00 H new ATOM 529 N ARG A 46 7.163 0.034 3.747 1.00 0.00 N ATOM 530 CA ARG A 46 6.928 -0.411 5.149 1.00 0.00 C ATOM 531 C ARG A 46 5.437 -0.303 5.477 1.00 0.00 C ATOM 532 O ARG A 46 4.611 -0.124 4.604 1.00 0.00 O ATOM 533 CB ARG A 46 7.726 0.476 6.106 1.00 0.00 C ATOM 534 CG ARG A 46 8.380 -0.392 7.183 1.00 0.00 C ATOM 535 CD ARG A 46 9.796 0.118 7.460 1.00 0.00 C ATOM 536 NE ARG A 46 9.742 1.566 7.809 1.00 0.00 N ATOM 537 CZ ARG A 46 10.541 2.048 8.722 1.00 0.00 C ATOM 538 NH1 ARG A 46 11.821 1.797 8.666 1.00 0.00 N ATOM 539 NH2 ARG A 46 10.061 2.781 9.689 1.00 0.00 N ATOM 0 H ARG A 46 6.426 0.613 3.345 1.00 0.00 H new ATOM 0 HA ARG A 46 7.250 -1.447 5.259 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.489 1.028 5.556 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.069 1.213 6.568 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.787 -0.364 8.097 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.414 -1.431 6.856 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.245 -0.448 8.277 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.426 -0.033 6.584 1.00 0.00 H new ATOM 0 HE ARG A 46 9.081 2.181 7.334 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.196 1.225 7.909 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.446 2.173 9.379 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.061 2.978 9.732 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.686 3.157 10.402 1.00 0.00 H new ATOM 553 N TYR A 47 5.088 -0.412 6.730 1.00 0.00 N ATOM 554 CA TYR A 47 3.651 -0.317 7.116 1.00 0.00 C ATOM 555 C TYR A 47 3.560 0.300 8.504 1.00 0.00 C ATOM 556 O TYR A 47 2.574 0.150 9.197 1.00 0.00 O ATOM 557 CB TYR A 47 3.009 -1.709 7.168 1.00 0.00 C ATOM 558 CG TYR A 47 4.037 -2.771 6.862 1.00 0.00 C ATOM 559 CD1 TYR A 47 5.004 -3.103 7.819 1.00 0.00 C ATOM 560 CD2 TYR A 47 4.020 -3.419 5.626 1.00 0.00 C ATOM 561 CE1 TYR A 47 5.957 -4.088 7.535 1.00 0.00 C ATOM 562 CE2 TYR A 47 4.971 -4.404 5.340 1.00 0.00 C ATOM 563 CZ TYR A 47 5.940 -4.739 6.295 1.00 0.00 C ATOM 564 OH TYR A 47 6.879 -5.711 6.014 1.00 0.00 O ATOM 0 H TYR A 47 5.736 -0.563 7.503 1.00 0.00 H new ATOM 0 HA TYR A 47 3.129 0.291 6.377 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.580 -1.882 8.155 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.191 -1.767 6.450 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.014 -2.600 8.775 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.273 -3.160 4.891 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.704 -4.346 8.271 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.958 -4.906 4.384 1.00 0.00 H new ATOM 0 HH TYR A 47 6.726 -6.063 5.112 1.00 0.00 H new ATOM 574 N ASN A 48 4.583 0.984 8.925 1.00 0.00 N ATOM 575 CA ASN A 48 4.544 1.594 10.274 1.00 0.00 C ATOM 576 C ASN A 48 4.184 3.070 10.140 1.00 0.00 C ATOM 577 O ASN A 48 3.725 3.702 11.073 1.00 0.00 O ATOM 578 CB ASN A 48 5.913 1.453 10.943 1.00 0.00 C ATOM 579 CG ASN A 48 6.388 0.002 10.837 1.00 0.00 C ATOM 580 OD1 ASN A 48 7.574 -0.262 10.821 1.00 0.00 O ATOM 581 ND2 ASN A 48 5.505 -0.958 10.765 1.00 0.00 N ATOM 0 H ASN A 48 5.439 1.145 8.395 1.00 0.00 H new ATOM 0 HA ASN A 48 3.797 1.088 10.886 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.633 2.118 10.466 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.850 1.750 11.990 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.811 -1.928 10.695 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.509 -0.737 10.778 1.00 0.00 H new ATOM 588 N ILE A 49 4.377 3.621 8.976 1.00 0.00 N ATOM 589 CA ILE A 49 4.032 5.055 8.775 1.00 0.00 C ATOM 590 C ILE A 49 2.507 5.170 8.731 1.00 0.00 C ATOM 591 O ILE A 49 1.934 6.143 9.177 1.00 0.00 O ATOM 592 CB ILE A 49 4.684 5.612 7.477 1.00 0.00 C ATOM 593 CG1 ILE A 49 3.631 5.876 6.394 1.00 0.00 C ATOM 594 CG2 ILE A 49 5.718 4.627 6.926 1.00 0.00 C ATOM 595 CD1 ILE A 49 3.083 4.549 5.875 1.00 0.00 C ATOM 0 H ILE A 49 4.757 3.144 8.158 1.00 0.00 H new ATOM 0 HA ILE A 49 4.423 5.654 9.598 1.00 0.00 H new ATOM 0 HB ILE A 49 5.171 6.551 7.740 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.821 6.481 6.801 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.072 6.444 5.575 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.162 5.036 6.018 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.498 4.464 7.670 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.231 3.679 6.697 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.335 4.740 5.106 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.897 3.960 5.452 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.626 3.998 6.697 1.00 0.00 H new ATOM 607 N ARG A 50 1.846 4.171 8.212 1.00 0.00 N ATOM 608 CA ARG A 50 0.360 4.216 8.160 1.00 0.00 C ATOM 609 C ARG A 50 -0.156 4.557 9.554 1.00 0.00 C ATOM 610 O ARG A 50 -0.975 5.438 9.727 1.00 0.00 O ATOM 611 CB ARG A 50 -0.184 2.852 7.731 1.00 0.00 C ATOM 612 CG ARG A 50 0.202 2.579 6.275 1.00 0.00 C ATOM 613 CD ARG A 50 -0.265 1.177 5.877 1.00 0.00 C ATOM 614 NE ARG A 50 -1.537 0.857 6.584 1.00 0.00 N ATOM 615 CZ ARG A 50 -1.617 -0.208 7.335 1.00 0.00 C ATOM 616 NH1 ARG A 50 -0.568 -0.625 7.992 1.00 0.00 N ATOM 617 NH2 ARG A 50 -2.745 -0.856 7.430 1.00 0.00 N ATOM 0 H ARG A 50 2.271 3.329 7.823 1.00 0.00 H new ATOM 0 HA ARG A 50 0.032 4.967 7.441 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.217 2.070 8.376 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.268 2.831 7.840 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.252 3.324 5.622 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.282 2.663 6.152 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.413 1.124 4.798 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.499 0.442 6.130 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.346 1.470 6.481 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.314 -0.119 7.919 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.631 -1.457 8.579 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.565 -0.531 6.918 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.807 -1.688 8.017 1.00 0.00 H new ATOM 631 N SER A 51 0.332 3.876 10.555 1.00 0.00 N ATOM 632 CA SER A 51 -0.116 4.178 11.940 1.00 0.00 C ATOM 633 C SER A 51 0.310 5.603 12.278 1.00 0.00 C ATOM 634 O SER A 51 -0.427 6.359 12.879 1.00 0.00 O ATOM 635 CB SER A 51 0.533 3.198 12.919 1.00 0.00 C ATOM 636 OG SER A 51 0.139 3.528 14.244 1.00 0.00 O ATOM 0 H SER A 51 1.019 3.127 10.472 1.00 0.00 H new ATOM 0 HA SER A 51 -1.199 4.080 12.015 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.234 2.177 12.682 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.618 3.241 12.829 1.00 0.00 H new ATOM 0 HG SER A 51 0.552 2.901 14.874 1.00 0.00 H new ATOM 642 N HIS A 52 1.494 5.980 11.881 1.00 0.00 N ATOM 643 CA HIS A 52 1.968 7.364 12.160 1.00 0.00 C ATOM 644 C HIS A 52 0.886 8.344 11.717 1.00 0.00 C ATOM 645 O HIS A 52 0.648 9.353 12.350 1.00 0.00 O ATOM 646 CB HIS A 52 3.297 7.610 11.398 1.00 0.00 C ATOM 647 CG HIS A 52 3.293 8.951 10.688 1.00 0.00 C ATOM 648 ND1 HIS A 52 4.221 9.942 10.967 1.00 0.00 N ATOM 649 CD2 HIS A 52 2.455 9.484 9.736 1.00 0.00 C ATOM 650 CE1 HIS A 52 3.914 11.010 10.204 1.00 0.00 C ATOM 651 NE2 HIS A 52 2.843 10.783 9.438 1.00 0.00 N ATOM 0 H HIS A 52 2.154 5.389 11.375 1.00 0.00 H new ATOM 0 HA HIS A 52 2.156 7.505 13.224 1.00 0.00 H new ATOM 0 HB2 HIS A 52 4.131 7.571 12.098 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.453 6.813 10.671 1.00 0.00 H new ATOM 0 HD1 HIS A 52 4.995 9.875 11.629 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.619 8.968 9.287 1.00 0.00 H new ATOM 0 HE1 HIS A 52 4.467 11.938 10.211 1.00 0.00 H new ATOM 659 N ILE A 53 0.226 8.051 10.637 1.00 0.00 N ATOM 660 CA ILE A 53 -0.839 8.961 10.161 1.00 0.00 C ATOM 661 C ILE A 53 -2.017 8.840 11.118 1.00 0.00 C ATOM 662 O ILE A 53 -2.415 9.791 11.758 1.00 0.00 O ATOM 663 CB ILE A 53 -1.272 8.545 8.745 1.00 0.00 C ATOM 664 CG1 ILE A 53 -0.044 8.273 7.873 1.00 0.00 C ATOM 665 CG2 ILE A 53 -2.091 9.662 8.106 1.00 0.00 C ATOM 666 CD1 ILE A 53 -0.498 7.829 6.479 1.00 0.00 C ATOM 0 H ILE A 53 0.379 7.221 10.065 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.481 9.990 10.129 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.873 7.639 8.820 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.569 9.171 7.799 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.576 7.501 8.329 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.395 9.362 7.103 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.977 9.856 8.711 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.487 10.568 8.046 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.375 7.635 5.857 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.093 6.920 6.563 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.100 8.616 6.024 1.00 0.00 H new ATOM 678 N GLN A 54 -2.562 7.664 11.232 1.00 0.00 N ATOM 679 CA GLN A 54 -3.712 7.456 12.152 1.00 0.00 C ATOM 680 C GLN A 54 -3.469 8.198 13.460 1.00 0.00 C ATOM 681 O GLN A 54 -4.400 8.574 14.144 1.00 0.00 O ATOM 682 CB GLN A 54 -3.886 5.962 12.436 1.00 0.00 C ATOM 683 CG GLN A 54 -5.159 5.462 11.753 1.00 0.00 C ATOM 684 CD GLN A 54 -4.814 4.338 10.772 1.00 0.00 C ATOM 685 OE1 GLN A 54 -5.575 3.404 10.611 1.00 0.00 O ATOM 686 NE2 GLN A 54 -3.693 4.385 10.106 1.00 0.00 N ATOM 0 H GLN A 54 -2.259 6.833 10.725 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.617 7.842 11.682 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.022 5.408 12.070 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.944 5.789 13.511 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.866 5.101 12.500 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.645 6.282 11.224 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.053 5.168 10.240 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.457 3.639 9.452 1.00 0.00 H new ATOM 695 N THR A 55 -2.238 8.426 13.824 1.00 0.00 N ATOM 696 CA THR A 55 -1.999 9.158 15.089 1.00 0.00 C ATOM 697 C THR A 55 -2.125 10.653 14.823 1.00 0.00 C ATOM 698 O THR A 55 -2.753 11.375 15.571 1.00 0.00 O ATOM 699 CB THR A 55 -0.604 8.835 15.629 1.00 0.00 C ATOM 700 OG1 THR A 55 0.107 8.064 14.670 1.00 0.00 O ATOM 701 CG2 THR A 55 -0.730 8.041 16.930 1.00 0.00 C ATOM 0 H THR A 55 -1.405 8.142 13.309 1.00 0.00 H new ATOM 0 HA THR A 55 -2.735 8.854 15.834 1.00 0.00 H new ATOM 0 HB THR A 55 -0.066 9.763 15.822 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.415 7.267 14.439 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.264 7.811 17.314 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.275 8.632 17.666 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.269 7.113 16.739 1.00 0.00 H new ATOM 709 N HIS A 56 -1.544 11.123 13.761 1.00 0.00 N ATOM 710 CA HIS A 56 -1.643 12.562 13.449 1.00 0.00 C ATOM 711 C HIS A 56 -2.723 12.771 12.389 1.00 0.00 C ATOM 712 O HIS A 56 -2.749 13.759 11.683 1.00 0.00 O ATOM 713 CB HIS A 56 -0.264 13.068 13.024 1.00 0.00 C ATOM 714 CG HIS A 56 -0.078 13.160 11.532 1.00 0.00 C ATOM 715 ND1 HIS A 56 -0.539 14.230 10.783 1.00 0.00 N ATOM 716 CD2 HIS A 56 0.683 12.412 10.682 1.00 0.00 C ATOM 717 CE1 HIS A 56 -0.021 14.103 9.543 1.00 0.00 C ATOM 718 NE2 HIS A 56 0.736 13.009 9.430 1.00 0.00 N ATOM 0 H HIS A 56 -1.004 10.568 13.096 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.943 13.144 14.321 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.099 14.052 13.462 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.497 12.405 13.435 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -1.155 14.975 11.108 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.174 11.487 10.946 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.198 14.802 8.739 1.00 0.00 H new ATOM 726 N LEU A 57 -3.642 11.840 12.314 1.00 0.00 N ATOM 727 CA LEU A 57 -4.769 11.953 11.350 1.00 0.00 C ATOM 728 C LEU A 57 -6.066 11.483 12.024 1.00 0.00 C ATOM 729 O LEU A 57 -7.149 11.844 11.607 1.00 0.00 O ATOM 730 CB LEU A 57 -4.508 11.085 10.119 1.00 0.00 C ATOM 731 CG LEU A 57 -4.115 11.973 8.943 1.00 0.00 C ATOM 732 CD1 LEU A 57 -2.615 12.266 9.006 1.00 0.00 C ATOM 733 CD2 LEU A 57 -4.444 11.251 7.634 1.00 0.00 C ATOM 0 H LEU A 57 -3.655 10.998 12.889 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.861 12.994 11.041 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.714 10.368 10.328 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.400 10.509 9.871 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.668 12.911 8.990 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.333 12.901 8.166 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.383 12.777 9.941 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.059 11.330 8.956 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.165 11.882 6.790 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.889 10.314 7.586 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.513 11.042 7.593 1.00 0.00 H new ATOM 745 N GLU A 58 -5.977 10.678 13.057 1.00 0.00 N ATOM 746 CA GLU A 58 -7.217 10.201 13.726 1.00 0.00 C ATOM 747 C GLU A 58 -7.304 10.793 15.134 1.00 0.00 C ATOM 748 O GLU A 58 -8.196 11.558 15.440 1.00 0.00 O ATOM 749 CB GLU A 58 -7.194 8.674 13.814 1.00 0.00 C ATOM 750 CG GLU A 58 -8.630 8.143 13.846 1.00 0.00 C ATOM 751 CD GLU A 58 -8.821 7.119 12.725 1.00 0.00 C ATOM 752 OE1 GLU A 58 -9.092 7.534 11.610 1.00 0.00 O ATOM 753 OE2 GLU A 58 -8.692 5.938 13.001 1.00 0.00 O ATOM 0 H GLU A 58 -5.104 10.336 13.459 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.084 10.519 13.148 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.660 8.258 12.960 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.658 8.359 14.709 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.837 7.683 14.812 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.336 8.965 13.726 1.00 0.00 H new ATOM 760 N ASP A 59 -6.388 10.441 15.993 1.00 0.00 N ATOM 761 CA ASP A 59 -6.425 10.983 17.380 1.00 0.00 C ATOM 762 C ASP A 59 -7.856 10.902 17.915 1.00 0.00 C ATOM 763 O ASP A 59 -8.256 11.668 18.768 1.00 0.00 O ATOM 764 CB ASP A 59 -5.964 12.443 17.373 1.00 0.00 C ATOM 765 CG ASP A 59 -4.654 12.568 18.151 1.00 0.00 C ATOM 766 OD1 ASP A 59 -4.717 12.744 19.357 1.00 0.00 O ATOM 767 OD2 ASP A 59 -3.607 12.487 17.529 1.00 0.00 O ATOM 0 H ASP A 59 -5.617 9.803 15.795 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.762 10.399 18.018 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.825 12.787 16.348 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.728 13.079 17.821 1.00 0.00 H new ATOM 772 N ARG A 60 -8.630 9.976 17.418 1.00 0.00 N ATOM 773 CA ARG A 60 -10.035 9.844 17.896 1.00 0.00 C ATOM 774 C ARG A 60 -10.039 9.590 19.404 1.00 0.00 C ATOM 775 O ARG A 60 -10.353 10.512 20.140 1.00 0.00 O ATOM 776 CB ARG A 60 -10.708 8.670 17.180 1.00 0.00 C ATOM 777 CG ARG A 60 -11.698 9.204 16.141 1.00 0.00 C ATOM 778 CD ARG A 60 -12.356 8.030 15.414 1.00 0.00 C ATOM 779 NE ARG A 60 -12.904 8.498 14.110 1.00 0.00 N ATOM 780 CZ ARG A 60 -14.078 9.065 14.063 1.00 0.00 C ATOM 781 NH1 ARG A 60 -14.242 10.266 14.548 1.00 0.00 N ATOM 782 NH2 ARG A 60 -15.087 8.433 13.529 1.00 0.00 N ATOM 783 OXT ARG A 60 -9.726 8.479 19.799 1.00 0.00 O ATOM 0 H ARG A 60 -8.350 9.306 16.702 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.580 10.763 17.681 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.956 8.047 16.695 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.227 8.039 17.902 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.457 9.816 16.627 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -11.182 9.845 15.426 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -11.628 7.235 15.251 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.154 7.610 16.026 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.362 8.375 13.255 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.452 10.760 14.963 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.160 10.710 14.512 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -14.958 7.496 13.148 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -16.005 8.876 13.492 1.00 0.00 H new TER 797 ARG A 60 HETATM 798 ZN ZN A 61 1.929 12.036 8.154 1.00 0.00 ZN