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+ -178:sc= 0 (180deg=0) USER MOD Set 1.2: A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 38:sc= 0.442 USER MOD Single : A 19 SER OG : rot 180:sc= 0.0044 USER MOD Single : A 22 LYS NZ :NH3+ -151:sc= -0.0456 (180deg=-0.422) 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 129:sc= 0.506 USER MOD Single : A 40 THR OG1 : rot -45:sc= 0.441 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= -1.43 K(o=-1.4,f=-8.1!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.61 K(o=-1.6,f=-0.84) USER MOD Single : A 55 THR OG1 : rot -70:sc= 0.694 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -14.295 10.844 6.896 1.00 0.00 N ATOM 2 CA THR A 14 -15.496 10.497 7.706 1.00 0.00 C ATOM 3 C THR A 14 -15.763 8.994 7.607 1.00 0.00 C ATOM 4 O THR A 14 -15.848 8.302 8.602 1.00 0.00 O ATOM 5 CB THR A 14 -16.709 11.267 7.177 1.00 0.00 C ATOM 6 OG1 THR A 14 -16.325 12.601 6.871 1.00 0.00 O ATOM 7 CG2 THR A 14 -17.809 11.280 8.238 1.00 0.00 C ATOM 0 HA THR A 14 -15.321 10.766 8.748 1.00 0.00 H new ATOM 0 HB THR A 14 -17.084 10.782 6.276 1.00 0.00 H new ATOM 0 HG1 THR A 14 -15.428 12.601 6.477 1.00 0.00 H new ATOM 0 HG21 THR A 14 -18.672 11.828 7.861 1.00 0.00 H new ATOM 0 HG22 THR A 14 -18.103 10.256 8.470 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.438 11.765 9.141 1.00 0.00 H new ATOM 17 N LEU A 15 -15.896 8.484 6.413 1.00 0.00 N ATOM 18 CA LEU A 15 -16.157 7.025 6.253 1.00 0.00 C ATOM 19 C LEU A 15 -15.023 6.229 6.908 1.00 0.00 C ATOM 20 O LEU A 15 -13.950 6.753 7.131 1.00 0.00 O ATOM 21 CB LEU A 15 -16.229 6.680 4.764 1.00 0.00 C ATOM 22 CG LEU A 15 -17.643 6.947 4.245 1.00 0.00 C ATOM 23 CD1 LEU A 15 -17.663 8.264 3.467 1.00 0.00 C ATOM 24 CD2 LEU A 15 -18.070 5.804 3.321 1.00 0.00 C ATOM 0 H LEU A 15 -15.835 9.013 5.543 1.00 0.00 H new ATOM 0 HA LEU A 15 -17.103 6.770 6.731 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -15.507 7.277 4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -15.965 5.634 4.609 1.00 0.00 H new ATOM 0 HG LEU A 15 -18.332 7.013 5.087 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -18.671 8.453 3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -17.358 9.079 4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -16.974 8.200 2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -19.078 5.993 2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -17.380 5.739 2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -18.057 4.865 3.874 1.00 0.00 H new ATOM 36 N PRO A 16 -15.300 4.984 7.198 1.00 0.00 N ATOM 37 CA PRO A 16 -14.323 4.080 7.830 1.00 0.00 C ATOM 38 C PRO A 16 -13.312 3.576 6.796 1.00 0.00 C ATOM 39 O PRO A 16 -13.633 3.392 5.639 1.00 0.00 O ATOM 40 CB PRO A 16 -15.188 2.929 8.354 1.00 0.00 C ATOM 41 CG PRO A 16 -16.490 2.947 7.518 1.00 0.00 C ATOM 42 CD PRO A 16 -16.611 4.361 6.921 1.00 0.00 C ATOM 0 HA PRO A 16 -13.739 4.561 8.615 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -14.671 1.975 8.248 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.405 3.058 9.414 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -16.454 2.195 6.729 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.354 2.714 8.141 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -16.817 4.325 5.851 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -17.424 4.921 7.384 1.00 0.00 H new ATOM 50 N ARG A 17 -12.092 3.352 7.204 1.00 0.00 N ATOM 51 CA ARG A 17 -11.063 2.861 6.244 1.00 0.00 C ATOM 52 C ARG A 17 -11.081 3.734 4.988 1.00 0.00 C ATOM 53 O ARG A 17 -11.047 3.241 3.877 1.00 0.00 O ATOM 54 CB ARG A 17 -11.371 1.411 5.866 1.00 0.00 C ATOM 55 CG ARG A 17 -10.679 0.468 6.852 1.00 0.00 C ATOM 56 CD ARG A 17 -9.165 0.676 6.780 1.00 0.00 C ATOM 57 NE ARG A 17 -8.774 0.993 5.377 1.00 0.00 N ATOM 58 CZ ARG A 17 -8.368 0.041 4.582 1.00 0.00 C ATOM 59 NH1 ARG A 17 -7.149 -0.414 4.679 1.00 0.00 N ATOM 60 NH2 ARG A 17 -9.182 -0.456 3.691 1.00 0.00 N ATOM 0 H ARG A 17 -11.764 3.488 8.160 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.077 2.913 6.707 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.448 1.242 5.879 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.029 1.208 4.851 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.035 0.658 7.864 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.926 -0.567 6.616 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.866 1.487 7.444 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.647 -0.221 7.119 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.824 1.954 5.038 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.514 -0.026 5.376 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.831 -1.158 4.058 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.135 -0.100 3.616 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.865 -1.200 3.069 1.00 0.00 H new ATOM 74 N GLY A 18 -11.135 5.028 5.153 1.00 0.00 N ATOM 75 CA GLY A 18 -11.155 5.931 3.968 1.00 0.00 C ATOM 76 C GLY A 18 -10.402 7.223 4.297 1.00 0.00 C ATOM 77 O GLY A 18 -10.516 8.212 3.600 1.00 0.00 O ATOM 0 H GLY A 18 -11.166 5.498 6.058 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.694 5.437 3.113 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.184 6.158 3.688 1.00 0.00 H new ATOM 81 N SER A 19 -9.634 7.223 5.352 1.00 0.00 N ATOM 82 CA SER A 19 -8.879 8.449 5.724 1.00 0.00 C ATOM 83 C SER A 19 -7.381 8.203 5.537 1.00 0.00 C ATOM 84 O SER A 19 -6.654 9.055 5.063 1.00 0.00 O ATOM 85 CB SER A 19 -9.160 8.798 7.185 1.00 0.00 C ATOM 86 OG SER A 19 -9.888 7.737 7.789 1.00 0.00 O ATOM 0 H SER A 19 -9.498 6.425 5.972 1.00 0.00 H new ATOM 0 HA SER A 19 -9.193 9.276 5.087 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.224 8.962 7.718 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.729 9.726 7.247 1.00 0.00 H new ATOM 0 HG SER A 19 -10.069 7.957 8.727 1.00 0.00 H new ATOM 92 N ILE A 20 -6.915 7.044 5.904 1.00 0.00 N ATOM 93 CA ILE A 20 -5.465 6.737 5.749 1.00 0.00 C ATOM 94 C ILE A 20 -5.125 6.651 4.265 1.00 0.00 C ATOM 95 O ILE A 20 -4.151 7.210 3.802 1.00 0.00 O ATOM 96 CB ILE A 20 -5.154 5.398 6.422 1.00 0.00 C ATOM 97 CG1 ILE A 20 -5.922 5.297 7.741 1.00 0.00 C ATOM 98 CG2 ILE A 20 -3.652 5.302 6.701 1.00 0.00 C ATOM 99 CD1 ILE A 20 -5.784 6.610 8.513 1.00 0.00 C ATOM 0 H ILE A 20 -7.476 6.293 6.306 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.872 7.524 6.215 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.455 4.584 5.762 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -6.974 5.086 7.547 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.536 4.470 8.337 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.431 4.348 7.180 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.102 5.372 5.762 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.351 6.117 7.359 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.331 6.539 9.453 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.731 6.802 8.720 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.191 7.427 7.917 1.00 0.00 H new ATOM 111 N ASP A 21 -5.928 5.954 3.518 1.00 0.00 N ATOM 112 CA ASP A 21 -5.665 5.824 2.057 1.00 0.00 C ATOM 113 C ASP A 21 -5.973 7.152 1.363 1.00 0.00 C ATOM 114 O ASP A 21 -5.758 7.308 0.176 1.00 0.00 O ATOM 115 CB ASP A 21 -6.554 4.724 1.475 1.00 0.00 C ATOM 116 CG ASP A 21 -6.250 3.399 2.175 1.00 0.00 C ATOM 117 OD1 ASP A 21 -5.412 3.399 3.062 1.00 0.00 O ATOM 118 OD2 ASP A 21 -6.859 2.406 1.813 1.00 0.00 O ATOM 0 H ASP A 21 -6.758 5.466 3.854 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.618 5.566 1.897 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.605 4.984 1.605 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.380 4.630 0.403 1.00 0.00 H new ATOM 123 N LYS A 22 -6.474 8.114 2.091 1.00 0.00 N ATOM 124 CA LYS A 22 -6.791 9.429 1.469 1.00 0.00 C ATOM 125 C LYS A 22 -5.599 10.374 1.635 1.00 0.00 C ATOM 126 O LYS A 22 -5.628 11.506 1.194 1.00 0.00 O ATOM 127 CB LYS A 22 -8.019 10.034 2.152 1.00 0.00 C ATOM 128 CG LYS A 22 -8.453 11.293 1.400 1.00 0.00 C ATOM 129 CD LYS A 22 -8.511 12.476 2.369 1.00 0.00 C ATOM 130 CE LYS A 22 -9.964 12.918 2.550 1.00 0.00 C ATOM 131 NZ LYS A 22 -10.476 13.473 1.266 1.00 0.00 N ATOM 0 H LYS A 22 -6.677 8.045 3.088 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.997 9.287 0.408 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.833 9.309 2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.788 10.278 3.189 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.753 11.506 0.592 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.430 11.137 0.942 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.084 12.193 3.331 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.913 13.303 1.986 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.576 12.073 2.863 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.032 13.670 3.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.207 14.186 1.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.694 13.915 0.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.885 12.706 0.695 1.00 0.00 H new ATOM 145 N TYR A 23 -4.550 9.922 2.267 1.00 0.00 N ATOM 146 CA TYR A 23 -3.363 10.801 2.457 1.00 0.00 C ATOM 147 C TYR A 23 -2.100 9.943 2.556 1.00 0.00 C ATOM 148 O TYR A 23 -1.161 10.281 3.249 1.00 0.00 O ATOM 149 CB TYR A 23 -3.529 11.616 3.740 1.00 0.00 C ATOM 150 CG TYR A 23 -4.169 12.943 3.412 1.00 0.00 C ATOM 151 CD1 TYR A 23 -3.617 13.759 2.418 1.00 0.00 C ATOM 152 CD2 TYR A 23 -5.314 13.357 4.102 1.00 0.00 C ATOM 153 CE1 TYR A 23 -4.210 14.989 2.113 1.00 0.00 C ATOM 154 CE2 TYR A 23 -5.907 14.588 3.797 1.00 0.00 C ATOM 155 CZ TYR A 23 -5.355 15.404 2.802 1.00 0.00 C ATOM 156 OH TYR A 23 -5.940 16.616 2.502 1.00 0.00 O ATOM 0 H TYR A 23 -4.464 8.984 2.659 1.00 0.00 H new ATOM 0 HA TYR A 23 -3.275 11.478 1.607 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.145 11.069 4.454 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -2.559 11.774 4.211 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -2.733 13.439 1.886 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.740 12.727 4.869 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.784 15.618 1.346 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.790 14.908 4.329 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.726 16.750 3.072 1.00 0.00 H new ATOM 166 N VAL A 24 -2.069 8.834 1.871 1.00 0.00 N ATOM 167 CA VAL A 24 -0.867 7.957 1.926 1.00 0.00 C ATOM 168 C VAL A 24 -0.334 7.735 0.508 1.00 0.00 C ATOM 169 O VAL A 24 -1.036 7.258 -0.361 1.00 0.00 O ATOM 170 CB VAL A 24 -1.247 6.614 2.554 1.00 0.00 C ATOM 171 CG1 VAL A 24 -2.033 5.773 1.544 1.00 0.00 C ATOM 172 CG2 VAL A 24 0.023 5.865 2.961 1.00 0.00 C ATOM 0 H VAL A 24 -2.825 8.497 1.275 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.094 8.431 2.530 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.866 6.791 3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.301 4.818 1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.940 6.305 1.255 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.419 5.597 0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.246 4.908 3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.642 5.692 2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.580 6.460 3.685 1.00 0.00 H new ATOM 182 N LYS A 25 0.902 8.079 0.267 1.00 0.00 N ATOM 183 CA LYS A 25 1.473 7.888 -1.096 1.00 0.00 C ATOM 184 C LYS A 25 2.504 6.757 -1.067 1.00 0.00 C ATOM 185 O LYS A 25 3.690 6.989 -0.935 1.00 0.00 O ATOM 186 CB LYS A 25 2.149 9.183 -1.552 1.00 0.00 C ATOM 187 CG LYS A 25 2.483 9.089 -3.042 1.00 0.00 C ATOM 188 CD LYS A 25 1.190 8.941 -3.848 1.00 0.00 C ATOM 189 CE LYS A 25 1.489 9.137 -5.335 1.00 0.00 C ATOM 190 NZ LYS A 25 1.609 7.807 -5.997 1.00 0.00 N ATOM 0 H LYS A 25 1.539 8.483 0.953 1.00 0.00 H new ATOM 0 HA LYS A 25 0.673 7.631 -1.790 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.491 10.033 -1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.058 9.354 -0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.023 9.981 -3.361 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.138 8.237 -3.226 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.756 7.955 -3.681 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.455 9.674 -3.514 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.694 9.718 -5.803 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.413 9.702 -5.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.846 7.939 -7.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.359 7.255 -5.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.706 7.297 -5.919 1.00 0.00 H new ATOM 204 N GLU A 26 2.062 5.537 -1.194 1.00 0.00 N ATOM 205 CA GLU A 26 3.017 4.392 -1.176 1.00 0.00 C ATOM 206 C GLU A 26 3.668 4.256 -2.554 1.00 0.00 C ATOM 207 O GLU A 26 3.073 4.571 -3.565 1.00 0.00 O ATOM 208 CB GLU A 26 2.263 3.103 -0.839 1.00 0.00 C ATOM 209 CG GLU A 26 1.179 2.858 -1.889 1.00 0.00 C ATOM 210 CD GLU A 26 0.579 1.466 -1.689 1.00 0.00 C ATOM 211 OE1 GLU A 26 1.344 0.521 -1.595 1.00 0.00 O ATOM 212 OE2 GLU A 26 -0.636 1.368 -1.632 1.00 0.00 O ATOM 0 H GLU A 26 1.081 5.282 -1.310 1.00 0.00 H new ATOM 0 HA GLU A 26 3.786 4.569 -0.424 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.955 2.261 -0.811 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.814 3.180 0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.400 3.616 -1.807 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.602 2.943 -2.890 1.00 0.00 H new ATOM 219 N MET A 27 4.886 3.790 -2.605 1.00 0.00 N ATOM 220 CA MET A 27 5.567 3.639 -3.922 1.00 0.00 C ATOM 221 C MET A 27 6.082 2.200 -4.073 1.00 0.00 C ATOM 222 O MET A 27 6.635 1.640 -3.141 1.00 0.00 O ATOM 223 CB MET A 27 6.740 4.616 -3.997 1.00 0.00 C ATOM 224 CG MET A 27 6.687 5.378 -5.322 1.00 0.00 C ATOM 225 SD MET A 27 6.827 7.154 -5.002 1.00 0.00 S ATOM 226 CE MET A 27 5.153 7.612 -5.514 1.00 0.00 C ATOM 0 H MET A 27 5.437 3.508 -1.795 1.00 0.00 H new ATOM 0 HA MET A 27 4.862 3.853 -4.725 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.699 5.315 -3.162 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.683 4.075 -3.914 1.00 0.00 H new ATOM 0 HG2 MET A 27 7.496 5.050 -5.975 1.00 0.00 H new ATOM 0 HG3 MET A 27 5.752 5.163 -5.840 1.00 0.00 H new ATOM 0 HE1 MET A 27 5.018 8.687 -5.397 1.00 0.00 H new ATOM 0 HE2 MET A 27 5.005 7.340 -6.559 1.00 0.00 H new ATOM 0 HE3 MET A 27 4.426 7.085 -4.895 1.00 0.00 H new ATOM 236 N PRO A 28 5.888 1.644 -5.248 1.00 0.00 N ATOM 237 CA PRO A 28 6.313 0.267 -5.554 1.00 0.00 C ATOM 238 C PRO A 28 7.834 0.192 -5.651 1.00 0.00 C ATOM 239 O PRO A 28 8.412 -0.877 -5.688 1.00 0.00 O ATOM 240 CB PRO A 28 5.641 -0.036 -6.896 1.00 0.00 C ATOM 241 CG PRO A 28 5.327 1.332 -7.541 1.00 0.00 C ATOM 242 CD PRO A 28 5.253 2.346 -6.384 1.00 0.00 C ATOM 0 HA PRO A 28 6.031 -0.454 -4.787 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.298 -0.626 -7.535 1.00 0.00 H new ATOM 0 HB3 PRO A 28 4.730 -0.617 -6.752 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.101 1.612 -8.255 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.385 1.297 -8.089 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.780 3.268 -6.628 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.222 2.619 -6.158 1.00 0.00 H new ATOM 250 N ASP A 29 8.490 1.317 -5.661 1.00 0.00 N ATOM 251 CA ASP A 29 9.973 1.305 -5.719 1.00 0.00 C ATOM 252 C ASP A 29 10.507 1.320 -4.286 1.00 0.00 C ATOM 253 O ASP A 29 11.637 1.681 -4.040 1.00 0.00 O ATOM 254 CB ASP A 29 10.487 2.531 -6.482 1.00 0.00 C ATOM 255 CG ASP A 29 9.617 3.747 -6.164 1.00 0.00 C ATOM 256 OD1 ASP A 29 9.472 4.056 -4.995 1.00 0.00 O ATOM 257 OD2 ASP A 29 9.113 4.350 -7.097 1.00 0.00 O ATOM 0 H ASP A 29 8.062 2.243 -5.632 1.00 0.00 H new ATOM 0 HA ASP A 29 10.317 0.412 -6.241 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.522 2.733 -6.208 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.474 2.334 -7.554 1.00 0.00 H new ATOM 262 N LYS A 30 9.678 0.934 -3.343 1.00 0.00 N ATOM 263 CA LYS A 30 10.088 0.912 -1.912 1.00 0.00 C ATOM 264 C LYS A 30 10.167 2.340 -1.385 1.00 0.00 C ATOM 265 O LYS A 30 11.220 2.821 -1.016 1.00 0.00 O ATOM 266 CB LYS A 30 11.446 0.225 -1.764 1.00 0.00 C ATOM 267 CG LYS A 30 11.349 -1.218 -2.266 1.00 0.00 C ATOM 268 CD LYS A 30 12.669 -1.942 -1.994 1.00 0.00 C ATOM 269 CE LYS A 30 13.011 -1.841 -0.507 1.00 0.00 C ATOM 270 NZ LYS A 30 13.789 -3.042 -0.090 1.00 0.00 N ATOM 0 H LYS A 30 8.720 0.629 -3.514 1.00 0.00 H new ATOM 0 HA LYS A 30 9.350 0.354 -1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.203 0.768 -2.330 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.759 0.237 -0.720 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.529 -1.734 -1.766 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.129 -1.229 -3.334 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.589 -2.988 -2.289 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.467 -1.502 -2.592 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.589 -0.937 -0.317 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.097 -1.765 0.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.021 -2.972 0.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.222 -3.898 -0.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.668 -3.096 -0.643 1.00 0.00 H new ATOM 284 N THR A 31 9.056 3.024 -1.345 1.00 0.00 N ATOM 285 CA THR A 31 9.069 4.423 -0.839 1.00 0.00 C ATOM 286 C THR A 31 7.729 4.746 -0.174 1.00 0.00 C ATOM 287 O THR A 31 6.840 3.919 -0.106 1.00 0.00 O ATOM 288 CB THR A 31 9.309 5.380 -2.002 1.00 0.00 C ATOM 289 OG1 THR A 31 10.220 4.790 -2.918 1.00 0.00 O ATOM 290 CG2 THR A 31 9.889 6.694 -1.476 1.00 0.00 C ATOM 0 H THR A 31 8.144 2.675 -1.640 1.00 0.00 H new ATOM 0 HA THR A 31 9.867 4.535 -0.105 1.00 0.00 H new ATOM 0 HB THR A 31 8.364 5.581 -2.507 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.846 4.830 -3.823 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.059 7.376 -2.309 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.188 7.146 -0.775 1.00 0.00 H new ATOM 0 HG23 THR A 31 10.834 6.498 -0.969 1.00 0.00 H new ATOM 298 N PHE A 32 7.579 5.945 0.319 1.00 0.00 N ATOM 299 CA PHE A 32 6.303 6.333 0.984 1.00 0.00 C ATOM 300 C PHE A 32 6.253 7.857 1.114 1.00 0.00 C ATOM 301 O PHE A 32 7.268 8.504 1.281 1.00 0.00 O ATOM 302 CB PHE A 32 6.241 5.704 2.377 1.00 0.00 C ATOM 303 CG PHE A 32 5.476 4.404 2.314 1.00 0.00 C ATOM 304 CD1 PHE A 32 4.078 4.416 2.270 1.00 0.00 C ATOM 305 CD2 PHE A 32 6.167 3.186 2.305 1.00 0.00 C ATOM 306 CE1 PHE A 32 3.368 3.211 2.215 1.00 0.00 C ATOM 307 CE2 PHE A 32 5.457 1.980 2.250 1.00 0.00 C ATOM 308 CZ PHE A 32 4.058 1.992 2.205 1.00 0.00 C ATOM 0 H PHE A 32 8.289 6.676 0.289 1.00 0.00 H new ATOM 0 HA PHE A 32 5.458 5.983 0.391 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.249 5.526 2.752 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.758 6.388 3.074 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.546 5.356 2.278 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.246 3.177 2.340 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.289 3.221 2.180 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.989 1.040 2.242 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.511 1.062 2.163 1.00 0.00 H new ATOM 318 N GLU A 33 5.088 8.440 1.036 1.00 0.00 N ATOM 319 CA GLU A 33 4.998 9.923 1.152 1.00 0.00 C ATOM 320 C GLU A 33 3.658 10.327 1.769 1.00 0.00 C ATOM 321 O GLU A 33 2.654 10.424 1.090 1.00 0.00 O ATOM 322 CB GLU A 33 5.125 10.551 -0.237 1.00 0.00 C ATOM 323 CG GLU A 33 6.359 11.454 -0.279 1.00 0.00 C ATOM 324 CD GLU A 33 7.000 11.377 -1.666 1.00 0.00 C ATOM 325 OE1 GLU A 33 6.769 10.394 -2.350 1.00 0.00 O ATOM 326 OE2 GLU A 33 7.710 12.304 -2.020 1.00 0.00 O ATOM 0 H GLU A 33 4.200 7.957 0.898 1.00 0.00 H new ATOM 0 HA GLU A 33 5.805 10.276 1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.206 9.771 -0.994 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.231 11.129 -0.469 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.078 12.483 -0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.075 11.145 0.482 1.00 0.00 H new ATOM 333 N CYS A 34 3.636 10.580 3.049 1.00 0.00 N ATOM 334 CA CYS A 34 2.366 11.000 3.708 1.00 0.00 C ATOM 335 C CYS A 34 1.839 12.247 2.992 1.00 0.00 C ATOM 336 O CYS A 34 2.398 13.320 3.100 1.00 0.00 O ATOM 337 CB CYS A 34 2.655 11.318 5.178 1.00 0.00 C ATOM 338 SG CYS A 34 1.109 11.542 6.095 1.00 0.00 S ATOM 0 H CYS A 34 4.444 10.514 3.668 1.00 0.00 H new ATOM 0 HA CYS A 34 1.620 10.207 3.654 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.235 10.510 5.624 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.261 12.222 5.248 1.00 0.00 H new ATOM 343 N LEU A 35 0.777 12.111 2.241 1.00 0.00 N ATOM 344 CA LEU A 35 0.230 13.283 1.496 1.00 0.00 C ATOM 345 C LEU A 35 -0.568 14.198 2.432 1.00 0.00 C ATOM 346 O LEU A 35 -1.246 15.102 1.989 1.00 0.00 O ATOM 347 CB LEU A 35 -0.686 12.785 0.375 1.00 0.00 C ATOM 348 CG LEU A 35 0.032 11.704 -0.432 1.00 0.00 C ATOM 349 CD1 LEU A 35 -0.961 10.604 -0.812 1.00 0.00 C ATOM 350 CD2 LEU A 35 0.617 12.320 -1.704 1.00 0.00 C ATOM 0 H LEU A 35 0.265 11.238 2.112 1.00 0.00 H new ATOM 0 HA LEU A 35 1.062 13.851 1.079 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.609 12.386 0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.965 13.614 -0.276 1.00 0.00 H new ATOM 0 HG LEU A 35 0.835 11.278 0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.448 9.834 -1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.379 10.163 0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.764 11.031 -1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.129 11.549 -2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.186 12.747 -2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.326 13.104 -1.436 1.00 0.00 H new ATOM 362 N PHE A 36 -0.498 13.982 3.717 1.00 0.00 N ATOM 363 CA PHE A 36 -1.259 14.856 4.650 1.00 0.00 C ATOM 364 C PHE A 36 -0.651 16.264 4.643 1.00 0.00 C ATOM 365 O PHE A 36 0.556 16.414 4.614 1.00 0.00 O ATOM 366 CB PHE A 36 -1.180 14.277 6.061 1.00 0.00 C ATOM 367 CG PHE A 36 -2.085 15.056 6.982 1.00 0.00 C ATOM 368 CD1 PHE A 36 -3.425 14.686 7.119 1.00 0.00 C ATOM 369 CD2 PHE A 36 -1.580 16.141 7.705 1.00 0.00 C ATOM 370 CE1 PHE A 36 -4.263 15.400 7.983 1.00 0.00 C ATOM 371 CE2 PHE A 36 -2.415 16.855 8.571 1.00 0.00 C ATOM 372 CZ PHE A 36 -3.757 16.484 8.711 1.00 0.00 C ATOM 0 H PHE A 36 0.050 13.243 4.158 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.301 14.909 4.333 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.473 13.227 6.050 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.153 14.318 6.424 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.814 13.849 6.558 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.545 16.428 7.595 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.299 15.115 8.088 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.024 17.692 9.131 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.402 17.034 9.380 1.00 0.00 H new ATOM 382 N PRO A 37 -1.503 17.259 4.677 1.00 0.00 N ATOM 383 CA PRO A 37 -1.070 18.666 4.679 1.00 0.00 C ATOM 384 C PRO A 37 -0.502 19.035 6.048 1.00 0.00 C ATOM 385 O PRO A 37 -1.176 18.960 7.056 1.00 0.00 O ATOM 386 CB PRO A 37 -2.351 19.443 4.367 1.00 0.00 C ATOM 387 CG PRO A 37 -3.525 18.514 4.751 1.00 0.00 C ATOM 388 CD PRO A 37 -2.969 17.077 4.731 1.00 0.00 C ATOM 0 HA PRO A 37 -0.280 18.881 3.960 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.390 20.373 4.934 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.396 19.711 3.311 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.913 18.766 5.738 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.351 18.621 4.047 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.269 16.521 5.619 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.334 16.520 3.868 1.00 0.00 H new ATOM 396 N GLY A 38 0.742 19.414 6.087 1.00 0.00 N ATOM 397 CA GLY A 38 1.375 19.768 7.385 1.00 0.00 C ATOM 398 C GLY A 38 2.416 18.702 7.718 1.00 0.00 C ATOM 399 O GLY A 38 3.341 18.934 8.471 1.00 0.00 O ATOM 0 H GLY A 38 1.351 19.494 5.272 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.844 20.750 7.323 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.623 19.823 8.172 1.00 0.00 H new ATOM 403 N CYS A 39 2.271 17.531 7.154 1.00 0.00 N ATOM 404 CA CYS A 39 3.252 16.447 7.431 1.00 0.00 C ATOM 405 C CYS A 39 4.616 16.831 6.855 1.00 0.00 C ATOM 406 O CYS A 39 4.738 17.768 6.092 1.00 0.00 O ATOM 407 CB CYS A 39 2.775 15.152 6.774 1.00 0.00 C ATOM 408 SG CYS A 39 3.621 13.744 7.531 1.00 0.00 S ATOM 0 H CYS A 39 1.516 17.281 6.515 1.00 0.00 H new ATOM 0 HA CYS A 39 3.338 16.303 8.508 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.696 15.048 6.892 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.978 15.179 5.703 1.00 0.00 H new ATOM 413 N THR A 40 5.642 16.112 7.214 1.00 0.00 N ATOM 414 CA THR A 40 6.998 16.430 6.688 1.00 0.00 C ATOM 415 C THR A 40 7.899 15.206 6.849 1.00 0.00 C ATOM 416 O THR A 40 9.103 15.320 6.966 1.00 0.00 O ATOM 417 CB THR A 40 7.588 17.605 7.471 1.00 0.00 C ATOM 418 OG1 THR A 40 8.762 18.065 6.817 1.00 0.00 O ATOM 419 CG2 THR A 40 7.937 17.151 8.890 1.00 0.00 C ATOM 0 H THR A 40 5.600 15.316 7.850 1.00 0.00 H new ATOM 0 HA THR A 40 6.928 16.698 5.634 1.00 0.00 H new ATOM 0 HB THR A 40 6.858 18.413 7.520 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.312 17.298 6.555 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.357 17.988 9.447 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.036 16.798 9.391 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.667 16.343 8.844 1.00 0.00 H new ATOM 427 N LYS A 41 7.326 14.032 6.866 1.00 0.00 N ATOM 428 CA LYS A 41 8.157 12.805 7.028 1.00 0.00 C ATOM 429 C LYS A 41 7.785 11.776 5.958 1.00 0.00 C ATOM 430 O LYS A 41 6.627 11.488 5.732 1.00 0.00 O ATOM 431 CB LYS A 41 7.910 12.207 8.414 1.00 0.00 C ATOM 432 CG LYS A 41 8.671 13.019 9.464 1.00 0.00 C ATOM 433 CD LYS A 41 8.736 12.229 10.773 1.00 0.00 C ATOM 434 CE LYS A 41 7.339 11.718 11.133 1.00 0.00 C ATOM 435 NZ LYS A 41 7.042 12.046 12.557 1.00 0.00 N ATOM 0 H LYS A 41 6.323 13.870 6.775 1.00 0.00 H new ATOM 0 HA LYS A 41 9.209 13.068 6.920 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.843 12.211 8.639 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.236 11.167 8.436 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.678 13.239 9.109 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.175 13.976 9.629 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.426 11.391 10.670 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.120 12.862 11.573 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.594 12.174 10.481 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.283 10.641 10.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.093 11.699 12.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.747 11.591 13.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.079 13.077 12.691 1.00 0.00 H new ATOM 449 N THR A 42 8.765 11.209 5.306 1.00 0.00 N ATOM 450 CA THR A 42 8.479 10.188 4.259 1.00 0.00 C ATOM 451 C THR A 42 9.147 8.870 4.658 1.00 0.00 C ATOM 452 O THR A 42 9.995 8.836 5.527 1.00 0.00 O ATOM 453 CB THR A 42 9.037 10.659 2.914 1.00 0.00 C ATOM 454 OG1 THR A 42 10.394 10.254 2.798 1.00 0.00 O ATOM 455 CG2 THR A 42 8.946 12.182 2.826 1.00 0.00 C ATOM 0 H THR A 42 9.754 11.410 5.455 1.00 0.00 H new ATOM 0 HA THR A 42 7.402 10.045 4.167 1.00 0.00 H new ATOM 0 HB THR A 42 8.456 10.217 2.105 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.752 10.554 1.936 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.344 12.515 1.868 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.904 12.490 2.913 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.525 12.628 3.634 1.00 0.00 H new ATOM 463 N PHE A 43 8.774 7.784 4.038 1.00 0.00 N ATOM 464 CA PHE A 43 9.397 6.478 4.401 1.00 0.00 C ATOM 465 C PHE A 43 9.538 5.607 3.153 1.00 0.00 C ATOM 466 O PHE A 43 9.432 6.076 2.038 1.00 0.00 O ATOM 467 CB PHE A 43 8.517 5.759 5.426 1.00 0.00 C ATOM 468 CG PHE A 43 7.828 6.774 6.306 1.00 0.00 C ATOM 469 CD1 PHE A 43 6.727 7.490 5.819 1.00 0.00 C ATOM 470 CD2 PHE A 43 8.289 7.000 7.608 1.00 0.00 C ATOM 471 CE1 PHE A 43 6.088 8.431 6.634 1.00 0.00 C ATOM 472 CE2 PHE A 43 7.650 7.942 8.423 1.00 0.00 C ATOM 473 CZ PHE A 43 6.549 8.658 7.937 1.00 0.00 C ATOM 0 H PHE A 43 8.070 7.743 3.301 1.00 0.00 H new ATOM 0 HA PHE A 43 10.383 6.658 4.828 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.776 5.143 4.916 1.00 0.00 H new ATOM 0 HB3 PHE A 43 9.124 5.089 6.034 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.371 7.316 4.814 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.138 6.448 7.984 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.239 8.983 6.258 1.00 0.00 H new ATOM 0 HE2 PHE A 43 8.006 8.117 9.427 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.056 9.384 8.566 1.00 0.00 H new ATOM 483 N LYS A 44 9.779 4.336 3.335 1.00 0.00 N ATOM 484 CA LYS A 44 9.929 3.429 2.164 1.00 0.00 C ATOM 485 C LYS A 44 9.686 1.984 2.605 1.00 0.00 C ATOM 486 O LYS A 44 10.326 1.487 3.510 1.00 0.00 O ATOM 487 CB LYS A 44 11.346 3.558 1.597 1.00 0.00 C ATOM 488 CG LYS A 44 12.340 3.746 2.746 1.00 0.00 C ATOM 489 CD LYS A 44 13.662 3.058 2.397 1.00 0.00 C ATOM 490 CE LYS A 44 14.829 3.978 2.765 1.00 0.00 C ATOM 491 NZ LYS A 44 15.866 3.918 1.696 1.00 0.00 N ATOM 0 H LYS A 44 9.878 3.888 4.246 1.00 0.00 H new ATOM 0 HA LYS A 44 9.204 3.702 1.397 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.602 2.668 1.023 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.400 4.405 0.913 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.507 4.808 2.926 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.932 3.327 3.666 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.746 2.114 2.935 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.692 2.823 1.333 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.475 5.002 2.886 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.258 3.675 3.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.659 4.543 1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.211 2.942 1.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.452 4.228 0.793 1.00 0.00 H new ATOM 505 N ARG A 45 8.767 1.305 1.974 1.00 0.00 N ATOM 506 CA ARG A 45 8.486 -0.106 2.360 1.00 0.00 C ATOM 507 C ARG A 45 8.410 -0.207 3.885 1.00 0.00 C ATOM 508 O ARG A 45 9.087 -1.008 4.499 1.00 0.00 O ATOM 509 CB ARG A 45 9.609 -1.008 1.842 1.00 0.00 C ATOM 510 CG ARG A 45 9.036 -2.377 1.467 1.00 0.00 C ATOM 511 CD ARG A 45 8.518 -2.338 0.028 1.00 0.00 C ATOM 512 NE ARG A 45 7.046 -2.113 0.036 1.00 0.00 N ATOM 513 CZ ARG A 45 6.247 -3.000 -0.489 1.00 0.00 C ATOM 514 NH1 ARG A 45 5.803 -3.989 0.236 1.00 0.00 N ATOM 515 NH2 ARG A 45 5.891 -2.899 -1.742 1.00 0.00 N ATOM 0 H ARG A 45 8.199 1.667 1.208 1.00 0.00 H new ATOM 0 HA ARG A 45 7.538 -0.423 1.926 1.00 0.00 H new ATOM 0 HB2 ARG A 45 10.085 -0.551 0.974 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.379 -1.121 2.605 1.00 0.00 H new ATOM 0 HG2 ARG A 45 9.804 -3.144 1.567 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.228 -2.644 2.148 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.015 -1.543 -0.527 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.751 -3.274 -0.479 1.00 0.00 H new ATOM 0 HE ARG A 45 6.662 -1.265 0.452 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.081 -4.069 1.214 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.178 -4.682 -0.175 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.238 -2.126 -2.310 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.266 -3.593 -2.152 1.00 0.00 H new ATOM 529 N ARG A 46 7.591 0.602 4.501 1.00 0.00 N ATOM 530 CA ARG A 46 7.474 0.554 5.985 1.00 0.00 C ATOM 531 C ARG A 46 6.001 0.430 6.380 1.00 0.00 C ATOM 532 O ARG A 46 5.143 1.086 5.826 1.00 0.00 O ATOM 533 CB ARG A 46 8.054 1.837 6.584 1.00 0.00 C ATOM 534 CG ARG A 46 9.550 1.651 6.838 1.00 0.00 C ATOM 535 CD ARG A 46 10.118 2.908 7.499 1.00 0.00 C ATOM 536 NE ARG A 46 11.034 2.515 8.605 1.00 0.00 N ATOM 537 CZ ARG A 46 12.165 1.922 8.337 1.00 0.00 C ATOM 538 NH1 ARG A 46 12.846 2.265 7.278 1.00 0.00 N ATOM 539 NH2 ARG A 46 12.613 0.983 9.125 1.00 0.00 N ATOM 0 H ARG A 46 6.999 1.293 4.041 1.00 0.00 H new ATOM 0 HA ARG A 46 8.025 -0.307 6.363 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.891 2.674 5.905 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.543 2.079 7.516 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.716 0.785 7.478 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.067 1.456 5.899 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.654 3.508 6.764 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.308 3.527 7.885 1.00 0.00 H new ATOM 0 HE ARG A 46 10.777 2.709 9.573 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.494 2.996 6.660 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.730 1.802 7.068 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.079 0.712 9.951 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.497 0.520 8.915 1.00 0.00 H new ATOM 553 N TYR A 47 5.703 -0.407 7.336 1.00 0.00 N ATOM 554 CA TYR A 47 4.287 -0.570 7.770 1.00 0.00 C ATOM 555 C TYR A 47 4.096 0.169 9.084 1.00 0.00 C ATOM 556 O TYR A 47 3.128 -0.034 9.790 1.00 0.00 O ATOM 557 CB TYR A 47 3.951 -2.050 7.999 1.00 0.00 C ATOM 558 CG TYR A 47 5.174 -2.903 7.774 1.00 0.00 C ATOM 559 CD1 TYR A 47 5.506 -3.313 6.482 1.00 0.00 C ATOM 560 CD2 TYR A 47 5.972 -3.277 8.861 1.00 0.00 C ATOM 561 CE1 TYR A 47 6.643 -4.102 6.271 1.00 0.00 C ATOM 562 CE2 TYR A 47 7.110 -4.066 8.652 1.00 0.00 C ATOM 563 CZ TYR A 47 7.445 -4.480 7.355 1.00 0.00 C ATOM 564 OH TYR A 47 8.566 -5.258 7.147 1.00 0.00 O ATOM 0 H TYR A 47 6.379 -0.985 7.835 1.00 0.00 H new ATOM 0 HA TYR A 47 3.635 -0.173 6.992 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.580 -2.193 9.014 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.154 -2.358 7.322 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.887 -3.022 5.646 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.711 -2.958 9.859 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.902 -4.419 5.272 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.729 -4.355 9.489 1.00 0.00 H new ATOM 0 HH TYR A 47 9.010 -5.428 8.004 1.00 0.00 H new ATOM 574 N ASN A 48 5.005 1.034 9.418 1.00 0.00 N ATOM 575 CA ASN A 48 4.864 1.785 10.680 1.00 0.00 C ATOM 576 C ASN A 48 4.417 3.191 10.316 1.00 0.00 C ATOM 577 O ASN A 48 3.639 3.820 11.004 1.00 0.00 O ATOM 578 CB ASN A 48 6.205 1.834 11.416 1.00 0.00 C ATOM 579 CG ASN A 48 7.332 2.070 10.410 1.00 0.00 C ATOM 580 OD1 ASN A 48 7.373 3.092 9.754 1.00 0.00 O ATOM 581 ND2 ASN A 48 8.258 1.163 10.261 1.00 0.00 N ATOM 0 H ASN A 48 5.837 1.251 8.870 1.00 0.00 H new ATOM 0 HA ASN A 48 4.139 1.305 11.337 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.195 2.631 12.160 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.372 0.900 11.952 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.015 1.312 9.594 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.224 0.305 10.811 1.00 0.00 H new ATOM 588 N ILE A 49 4.901 3.668 9.207 1.00 0.00 N ATOM 589 CA ILE A 49 4.511 5.026 8.739 1.00 0.00 C ATOM 590 C ILE A 49 2.981 5.075 8.648 1.00 0.00 C ATOM 591 O ILE A 49 2.364 6.084 8.924 1.00 0.00 O ATOM 592 CB ILE A 49 5.168 5.343 7.363 1.00 0.00 C ATOM 593 CG1 ILE A 49 4.135 5.912 6.383 1.00 0.00 C ATOM 594 CG2 ILE A 49 5.787 4.086 6.743 1.00 0.00 C ATOM 595 CD1 ILE A 49 3.234 4.787 5.867 1.00 0.00 C ATOM 0 H ILE A 49 5.554 3.173 8.600 1.00 0.00 H new ATOM 0 HA ILE A 49 4.862 5.782 9.441 1.00 0.00 H new ATOM 0 HB ILE A 49 5.950 6.081 7.544 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.533 6.675 6.877 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.641 6.397 5.548 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.238 4.338 5.783 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.552 3.690 7.411 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.012 3.335 6.593 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.502 5.197 5.171 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.841 4.040 5.356 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.716 4.322 6.706 1.00 0.00 H new ATOM 607 N ARG A 50 2.365 3.987 8.270 1.00 0.00 N ATOM 608 CA ARG A 50 0.879 3.977 8.174 1.00 0.00 C ATOM 609 C ARG A 50 0.296 4.310 9.547 1.00 0.00 C ATOM 610 O ARG A 50 -0.609 5.109 9.672 1.00 0.00 O ATOM 611 CB ARG A 50 0.400 2.594 7.730 1.00 0.00 C ATOM 612 CG ARG A 50 -0.524 2.736 6.518 1.00 0.00 C ATOM 613 CD ARG A 50 0.162 2.157 5.279 1.00 0.00 C ATOM 614 NE ARG A 50 -0.269 0.745 5.085 1.00 0.00 N ATOM 615 CZ ARG A 50 -1.307 0.474 4.340 1.00 0.00 C ATOM 616 NH1 ARG A 50 -2.196 1.397 4.100 1.00 0.00 N ATOM 617 NH2 ARG A 50 -1.453 -0.721 3.836 1.00 0.00 N ATOM 0 H ARG A 50 2.825 3.110 8.025 1.00 0.00 H new ATOM 0 HA ARG A 50 0.549 4.716 7.443 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.254 1.966 7.477 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.128 2.101 8.547 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.464 2.216 6.702 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.767 3.786 6.354 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.092 2.750 4.400 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.245 2.205 5.394 1.00 0.00 H new ATOM 0 HE ARG A 50 0.247 -0.011 5.534 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.081 2.331 4.494 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.007 1.185 3.518 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.757 -1.442 4.024 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.263 -0.934 3.254 1.00 0.00 H new ATOM 631 N SER A 51 0.822 3.713 10.581 1.00 0.00 N ATOM 632 CA SER A 51 0.310 4.009 11.946 1.00 0.00 C ATOM 633 C SER A 51 0.672 5.451 12.300 1.00 0.00 C ATOM 634 O SER A 51 0.034 6.081 13.120 1.00 0.00 O ATOM 635 CB SER A 51 0.957 3.055 12.952 1.00 0.00 C ATOM 636 OG SER A 51 0.311 3.192 14.210 1.00 0.00 O ATOM 0 H SER A 51 1.583 3.035 10.539 1.00 0.00 H new ATOM 0 HA SER A 51 -0.772 3.879 11.977 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.877 2.027 12.599 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.020 3.277 13.050 1.00 0.00 H new ATOM 0 HG SER A 51 0.722 2.581 14.857 1.00 0.00 H new ATOM 642 N HIS A 52 1.692 5.978 11.677 1.00 0.00 N ATOM 643 CA HIS A 52 2.100 7.381 11.962 1.00 0.00 C ATOM 644 C HIS A 52 0.962 8.314 11.553 1.00 0.00 C ATOM 645 O HIS A 52 0.622 9.243 12.259 1.00 0.00 O ATOM 646 CB HIS A 52 3.400 7.698 11.181 1.00 0.00 C ATOM 647 CG HIS A 52 3.331 9.061 10.530 1.00 0.00 C ATOM 648 ND1 HIS A 52 4.169 10.101 10.900 1.00 0.00 N ATOM 649 CD2 HIS A 52 2.503 9.575 9.560 1.00 0.00 C ATOM 650 CE1 HIS A 52 3.822 11.180 10.172 1.00 0.00 C ATOM 651 NE2 HIS A 52 2.810 10.914 9.342 1.00 0.00 N ATOM 0 H HIS A 52 2.261 5.495 10.982 1.00 0.00 H new ATOM 0 HA HIS A 52 2.299 7.521 13.025 1.00 0.00 H new ATOM 0 HB2 HIS A 52 4.253 7.659 11.859 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.564 6.936 10.419 1.00 0.00 H new ATOM 0 HD1 HIS A 52 4.913 10.057 11.597 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.731 9.023 9.045 1.00 0.00 H new ATOM 0 HE1 HIS A 52 4.304 12.143 10.250 1.00 0.00 H new ATOM 659 N ILE A 53 0.369 8.074 10.423 1.00 0.00 N ATOM 660 CA ILE A 53 -0.746 8.948 9.986 1.00 0.00 C ATOM 661 C ILE A 53 -1.927 8.735 10.925 1.00 0.00 C ATOM 662 O ILE A 53 -2.449 9.662 11.500 1.00 0.00 O ATOM 663 CB ILE A 53 -1.159 8.583 8.556 1.00 0.00 C ATOM 664 CG1 ILE A 53 -0.031 8.939 7.586 1.00 0.00 C ATOM 665 CG2 ILE A 53 -2.421 9.355 8.180 1.00 0.00 C ATOM 666 CD1 ILE A 53 -0.558 8.935 6.148 1.00 0.00 C ATOM 0 H ILE A 53 0.607 7.314 9.786 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.431 9.991 10.010 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.356 7.513 8.498 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.375 9.921 7.831 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.785 8.223 7.685 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.716 9.097 7.163 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.225 9.095 8.868 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.224 10.425 8.240 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.251 9.189 5.463 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.942 7.944 5.904 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.359 9.668 6.052 1.00 0.00 H new ATOM 678 N GLN A 54 -2.348 7.518 11.084 1.00 0.00 N ATOM 679 CA GLN A 54 -3.501 7.248 11.985 1.00 0.00 C ATOM 680 C GLN A 54 -3.326 8.006 13.296 1.00 0.00 C ATOM 681 O GLN A 54 -4.291 8.343 13.952 1.00 0.00 O ATOM 682 CB GLN A 54 -3.601 5.747 12.264 1.00 0.00 C ATOM 683 CG GLN A 54 -4.926 5.212 11.719 1.00 0.00 C ATOM 684 CD GLN A 54 -4.656 4.031 10.786 1.00 0.00 C ATOM 685 OE1 GLN A 54 -5.267 2.989 10.912 1.00 0.00 O ATOM 686 NE2 GLN A 54 -3.756 4.150 9.847 1.00 0.00 N ATOM 0 H GLN A 54 -1.946 6.697 10.631 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.417 7.584 11.499 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.766 5.224 11.798 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.535 5.561 13.336 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.570 4.899 12.541 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.455 6.000 11.182 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.243 5.025 9.741 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.567 3.368 9.220 1.00 0.00 H new ATOM 695 N THR A 55 -2.118 8.290 13.696 1.00 0.00 N ATOM 696 CA THR A 55 -1.951 9.038 14.967 1.00 0.00 C ATOM 697 C THR A 55 -2.144 10.523 14.691 1.00 0.00 C ATOM 698 O THR A 55 -2.892 11.200 15.367 1.00 0.00 O ATOM 699 CB THR A 55 -0.555 8.793 15.546 1.00 0.00 C ATOM 700 OG1 THR A 55 0.269 8.190 14.557 1.00 0.00 O ATOM 701 CG2 THR A 55 -0.660 7.873 16.766 1.00 0.00 C ATOM 0 H THR A 55 -1.257 8.042 13.208 1.00 0.00 H new ATOM 0 HA THR A 55 -2.690 8.696 15.692 1.00 0.00 H new ATOM 0 HB THR A 55 -0.115 9.743 15.851 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.031 7.271 14.398 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.334 7.699 17.177 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.289 8.342 17.523 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.100 6.922 16.467 1.00 0.00 H new ATOM 709 N HIS A 56 -1.484 11.033 13.696 1.00 0.00 N ATOM 710 CA HIS A 56 -1.636 12.466 13.369 1.00 0.00 C ATOM 711 C HIS A 56 -2.677 12.608 12.262 1.00 0.00 C ATOM 712 O HIS A 56 -2.695 13.561 11.509 1.00 0.00 O ATOM 713 CB HIS A 56 -0.262 13.029 12.994 1.00 0.00 C ATOM 714 CG HIS A 56 -0.054 13.229 11.516 1.00 0.00 C ATOM 715 ND1 HIS A 56 -0.414 14.399 10.865 1.00 0.00 N ATOM 716 CD2 HIS A 56 0.667 12.508 10.609 1.00 0.00 C ATOM 717 CE1 HIS A 56 0.127 14.352 9.629 1.00 0.00 C ATOM 718 NE2 HIS A 56 0.800 13.217 9.424 1.00 0.00 N ATOM 0 H HIS A 56 -0.844 10.515 13.094 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.997 13.044 14.220 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.124 13.984 13.501 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.508 12.355 13.369 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -0.982 15.155 11.249 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.076 11.525 10.788 1.00 0.00 H new ATOM 0 HE1 HIS A 56 0.027 15.138 8.895 1.00 0.00 H new ATOM 726 N LEU A 57 -3.562 11.645 12.191 1.00 0.00 N ATOM 727 CA LEU A 57 -4.644 11.668 11.178 1.00 0.00 C ATOM 728 C LEU A 57 -5.964 11.258 11.842 1.00 0.00 C ATOM 729 O LEU A 57 -7.029 11.653 11.412 1.00 0.00 O ATOM 730 CB LEU A 57 -4.313 10.684 10.059 1.00 0.00 C ATOM 731 CG LEU A 57 -5.064 11.081 8.791 1.00 0.00 C ATOM 732 CD1 LEU A 57 -4.286 12.182 8.073 1.00 0.00 C ATOM 733 CD2 LEU A 57 -5.193 9.866 7.871 1.00 0.00 C ATOM 0 H LEU A 57 -3.574 10.832 12.807 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.737 12.672 10.763 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.239 10.678 9.871 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.590 9.673 10.356 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.058 11.443 9.052 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.817 12.470 7.166 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.191 13.047 8.729 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.294 11.815 7.811 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.729 10.150 6.966 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.200 9.504 7.606 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.742 9.077 8.385 1.00 0.00 H new ATOM 745 N GLU A 58 -5.909 10.466 12.887 1.00 0.00 N ATOM 746 CA GLU A 58 -7.166 10.042 13.559 1.00 0.00 C ATOM 747 C GLU A 58 -7.343 10.827 14.861 1.00 0.00 C ATOM 748 O GLU A 58 -7.351 10.267 15.939 1.00 0.00 O ATOM 749 CB GLU A 58 -7.098 8.546 13.872 1.00 0.00 C ATOM 750 CG GLU A 58 -8.477 8.054 14.311 1.00 0.00 C ATOM 751 CD GLU A 58 -8.839 6.788 13.534 1.00 0.00 C ATOM 752 OE1 GLU A 58 -8.806 6.835 12.315 1.00 0.00 O ATOM 753 OE2 GLU A 58 -9.143 5.792 14.170 1.00 0.00 O ATOM 0 H GLU A 58 -5.050 10.100 13.297 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.012 10.238 12.900 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.766 7.994 12.992 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.367 8.361 14.659 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.478 7.849 15.382 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.224 8.828 14.134 1.00 0.00 H new ATOM 760 N ASP A 59 -7.485 12.120 14.768 1.00 0.00 N ATOM 761 CA ASP A 59 -7.662 12.940 15.998 1.00 0.00 C ATOM 762 C ASP A 59 -9.034 13.617 15.966 1.00 0.00 C ATOM 763 O ASP A 59 -9.626 13.892 16.990 1.00 0.00 O ATOM 764 CB ASP A 59 -6.568 14.008 16.062 1.00 0.00 C ATOM 765 CG ASP A 59 -6.308 14.558 14.659 1.00 0.00 C ATOM 766 OD1 ASP A 59 -5.506 13.970 13.952 1.00 0.00 O ATOM 767 OD2 ASP A 59 -6.915 15.559 14.314 1.00 0.00 O ATOM 0 H ASP A 59 -7.486 12.644 13.893 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.594 12.297 16.876 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.871 14.814 16.730 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.653 13.582 16.472 1.00 0.00 H new ATOM 772 N ARG A 60 -9.543 13.889 14.795 1.00 0.00 N ATOM 773 CA ARG A 60 -10.876 14.547 14.697 1.00 0.00 C ATOM 774 C ARG A 60 -11.304 14.614 13.229 1.00 0.00 C ATOM 775 O ARG A 60 -12.157 13.830 12.846 1.00 0.00 O ATOM 776 CB ARG A 60 -10.790 15.964 15.268 1.00 0.00 C ATOM 777 CG ARG A 60 -12.062 16.273 16.059 1.00 0.00 C ATOM 778 CD ARG A 60 -12.128 17.774 16.354 1.00 0.00 C ATOM 779 NE ARG A 60 -12.035 17.995 17.824 1.00 0.00 N ATOM 780 CZ ARG A 60 -13.101 18.319 18.504 1.00 0.00 C ATOM 781 NH1 ARG A 60 -13.488 19.564 18.558 1.00 0.00 N ATOM 782 NH2 ARG A 60 -13.780 17.397 19.129 1.00 0.00 N ATOM 783 OXT ARG A 60 -10.772 15.447 12.516 1.00 0.00 O ATOM 0 H ARG A 60 -9.093 13.684 13.903 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.608 13.971 15.264 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.916 16.055 15.914 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -10.667 16.686 14.461 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.940 15.964 15.492 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.070 15.708 16.991 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -11.315 18.292 15.845 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.060 18.190 15.971 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.138 17.893 18.299 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.957 20.285 18.069 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.321 19.816 19.090 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.478 16.424 19.086 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.613 17.649 19.661 1.00 0.00 H new TER 797 ARG A 60 HETATM 798 ZN ZN A 61 1.966 12.259 8.109 1.00 0.00 ZN