USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 399 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 61 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HE2 : A 56 HIS NE2 : A 61 ZNZN :(H bumps) USER MOD Single : A 14 THR OG1 : rot -36:sc= 0.233 USER MOD Single : A 19 SER OG : rot 180:sc= -0.423 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 165:sc=-0.000681 (180deg=-0.0357) USER MOD Single : A 31 THR OG1 : rot 120:sc= -0.0972 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.751 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= -0.893 USER MOD Single : A 48 ASN : amide:sc= -2 K(o=-2,f=-0.79) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -2.96! K(o=-3!,f=-3.5) USER MOD Single : A 55 THR OG1 : rot -55:sc= 0.401 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -11.640 -4.679 15.984 1.00 0.00 N ATOM 2 CA THR A 14 -11.790 -3.232 15.658 1.00 0.00 C ATOM 3 C THR A 14 -10.460 -2.687 15.135 1.00 0.00 C ATOM 4 O THR A 14 -9.401 -3.053 15.604 1.00 0.00 O ATOM 5 CB THR A 14 -12.198 -2.466 16.918 1.00 0.00 C ATOM 6 OG1 THR A 14 -11.297 -2.777 17.972 1.00 0.00 O ATOM 7 CG2 THR A 14 -13.617 -2.865 17.323 1.00 0.00 C ATOM 0 HA THR A 14 -12.557 -3.108 14.894 1.00 0.00 H new ATOM 0 HB THR A 14 -12.168 -1.395 16.718 1.00 0.00 H new ATOM 0 HG1 THR A 14 -11.026 -3.716 17.904 1.00 0.00 H new ATOM 0 HG21 THR A 14 -13.906 -2.319 18.221 1.00 0.00 H new ATOM 0 HG22 THR A 14 -14.307 -2.625 16.514 1.00 0.00 H new ATOM 0 HG23 THR A 14 -13.651 -3.936 17.523 1.00 0.00 H new ATOM 17 N LEU A 15 -10.506 -1.813 14.166 1.00 0.00 N ATOM 18 CA LEU A 15 -9.244 -1.246 13.614 1.00 0.00 C ATOM 19 C LEU A 15 -9.576 -0.115 12.634 1.00 0.00 C ATOM 20 O LEU A 15 -10.595 -0.150 11.973 1.00 0.00 O ATOM 21 CB LEU A 15 -8.471 -2.344 12.882 1.00 0.00 C ATOM 22 CG LEU A 15 -9.206 -2.715 11.594 1.00 0.00 C ATOM 23 CD1 LEU A 15 -8.504 -2.066 10.399 1.00 0.00 C ATOM 24 CD2 LEU A 15 -9.201 -4.235 11.425 1.00 0.00 C ATOM 0 H LEU A 15 -11.363 -1.468 13.734 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.636 -0.853 14.428 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.462 -2.001 12.651 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.371 -3.221 13.522 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.235 -2.358 11.647 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.029 -2.331 9.481 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.508 -0.983 10.519 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.475 -2.422 10.344 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.725 -4.501 10.507 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.172 -4.592 11.372 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.702 -4.697 12.275 1.00 0.00 H new ATOM 36 N PRO A 16 -8.700 0.855 12.571 1.00 0.00 N ATOM 37 CA PRO A 16 -8.864 2.017 11.681 1.00 0.00 C ATOM 38 C PRO A 16 -8.490 1.645 10.242 1.00 0.00 C ATOM 39 O PRO A 16 -7.513 0.964 10.000 1.00 0.00 O ATOM 40 CB PRO A 16 -7.884 3.046 12.251 1.00 0.00 C ATOM 41 CG PRO A 16 -6.829 2.246 13.053 1.00 0.00 C ATOM 42 CD PRO A 16 -7.466 0.882 13.382 1.00 0.00 C ATOM 0 HA PRO A 16 -9.889 2.387 11.642 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.413 3.618 11.452 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.400 3.760 12.893 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.916 2.117 12.471 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.553 2.775 13.965 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.801 0.059 13.123 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.686 0.791 14.446 1.00 0.00 H new ATOM 50 N ARG A 17 -9.262 2.085 9.287 1.00 0.00 N ATOM 51 CA ARG A 17 -8.952 1.757 7.867 1.00 0.00 C ATOM 52 C ARG A 17 -9.962 2.453 6.954 1.00 0.00 C ATOM 53 O ARG A 17 -10.812 1.822 6.355 1.00 0.00 O ATOM 54 CB ARG A 17 -9.035 0.243 7.661 1.00 0.00 C ATOM 55 CG ARG A 17 -7.682 -0.280 7.175 1.00 0.00 C ATOM 56 CD ARG A 17 -7.803 -0.732 5.720 1.00 0.00 C ATOM 57 NE ARG A 17 -8.545 0.297 4.937 1.00 0.00 N ATOM 58 CZ ARG A 17 -9.131 -0.031 3.818 1.00 0.00 C ATOM 59 NH1 ARG A 17 -10.284 -0.643 3.840 1.00 0.00 N ATOM 60 NH2 ARG A 17 -8.565 0.252 2.677 1.00 0.00 N ATOM 0 H ARG A 17 -10.094 2.658 9.429 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.946 2.099 7.626 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.313 -0.247 8.594 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.811 0.006 6.933 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.926 0.500 7.263 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.356 -1.112 7.799 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.812 -0.884 5.292 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.323 -1.688 5.668 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.595 1.258 5.276 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.727 -0.865 4.732 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.742 -0.899 2.965 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.664 0.730 2.659 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.023 -0.005 1.803 1.00 0.00 H new ATOM 74 N GLY A 18 -9.876 3.749 6.846 1.00 0.00 N ATOM 75 CA GLY A 18 -10.830 4.491 5.973 1.00 0.00 C ATOM 76 C GLY A 18 -10.493 5.984 6.001 1.00 0.00 C ATOM 77 O GLY A 18 -11.358 6.827 5.871 1.00 0.00 O ATOM 0 H GLY A 18 -9.186 4.328 7.325 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.774 4.114 4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.852 4.332 6.316 1.00 0.00 H new ATOM 81 N SER A 19 -9.242 6.317 6.169 1.00 0.00 N ATOM 82 CA SER A 19 -8.852 7.755 6.205 1.00 0.00 C ATOM 83 C SER A 19 -7.329 7.877 6.102 1.00 0.00 C ATOM 84 O SER A 19 -6.744 8.846 6.543 1.00 0.00 O ATOM 85 CB SER A 19 -9.325 8.377 7.519 1.00 0.00 C ATOM 86 OG SER A 19 -9.939 7.376 8.319 1.00 0.00 O ATOM 0 H SER A 19 -8.474 5.656 6.283 1.00 0.00 H new ATOM 0 HA SER A 19 -9.314 8.277 5.367 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.481 8.817 8.051 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.031 9.183 7.320 1.00 0.00 H new ATOM 0 HG SER A 19 -10.242 7.772 9.163 1.00 0.00 H new ATOM 92 N ILE A 20 -6.682 6.904 5.521 1.00 0.00 N ATOM 93 CA ILE A 20 -5.202 6.968 5.388 1.00 0.00 C ATOM 94 C ILE A 20 -4.832 7.045 3.909 1.00 0.00 C ATOM 95 O ILE A 20 -3.847 7.649 3.533 1.00 0.00 O ATOM 96 CB ILE A 20 -4.578 5.716 6.007 1.00 0.00 C ATOM 97 CG1 ILE A 20 -5.418 5.267 7.203 1.00 0.00 C ATOM 98 CG2 ILE A 20 -3.159 6.036 6.478 1.00 0.00 C ATOM 99 CD1 ILE A 20 -5.663 6.461 8.124 1.00 0.00 C ATOM 0 H ILE A 20 -7.117 6.067 5.133 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.827 7.851 5.905 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.546 4.920 5.263 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -6.368 4.856 6.861 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.904 4.474 7.746 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.713 5.145 6.919 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.558 6.360 5.628 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.193 6.831 7.222 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.262 6.145 8.978 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.708 6.852 8.475 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.194 7.240 7.577 1.00 0.00 H new ATOM 111 N ASP A 21 -5.618 6.437 3.066 1.00 0.00 N ATOM 112 CA ASP A 21 -5.320 6.473 1.607 1.00 0.00 C ATOM 113 C ASP A 21 -5.579 7.883 1.068 1.00 0.00 C ATOM 114 O ASP A 21 -5.277 8.188 -0.068 1.00 0.00 O ATOM 115 CB ASP A 21 -6.220 5.475 0.876 1.00 0.00 C ATOM 116 CG ASP A 21 -5.947 4.063 1.396 1.00 0.00 C ATOM 117 OD1 ASP A 21 -5.396 3.947 2.479 1.00 0.00 O ATOM 118 OD2 ASP A 21 -6.295 3.121 0.703 1.00 0.00 O ATOM 0 H ASP A 21 -6.456 5.916 3.325 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.276 6.207 1.444 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.268 5.734 1.030 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.035 5.521 -0.197 1.00 0.00 H new ATOM 123 N LYS A 22 -6.140 8.745 1.874 1.00 0.00 N ATOM 124 CA LYS A 22 -6.419 10.131 1.406 1.00 0.00 C ATOM 125 C LYS A 22 -5.154 10.981 1.539 1.00 0.00 C ATOM 126 O LYS A 22 -5.104 12.110 1.093 1.00 0.00 O ATOM 127 CB LYS A 22 -7.536 10.742 2.257 1.00 0.00 C ATOM 128 CG LYS A 22 -7.704 12.219 1.895 1.00 0.00 C ATOM 129 CD LYS A 22 -9.192 12.538 1.732 1.00 0.00 C ATOM 130 CE LYS A 22 -9.652 13.434 2.883 1.00 0.00 C ATOM 131 NZ LYS A 22 -11.002 13.984 2.575 1.00 0.00 N ATOM 0 H LYS A 22 -6.416 8.548 2.836 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.730 10.105 0.362 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.470 10.207 2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.298 10.641 3.316 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.270 12.847 2.673 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.170 12.441 0.971 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.365 13.036 0.778 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.773 11.616 1.721 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.683 12.864 3.812 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.941 14.247 3.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.315 14.593 3.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.958 14.541 1.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.676 13.202 2.454 1.00 0.00 H new ATOM 145 N TYR A 23 -4.130 10.450 2.151 1.00 0.00 N ATOM 146 CA TYR A 23 -2.872 11.233 2.311 1.00 0.00 C ATOM 147 C TYR A 23 -1.692 10.276 2.476 1.00 0.00 C ATOM 148 O TYR A 23 -0.760 10.545 3.207 1.00 0.00 O ATOM 149 CB TYR A 23 -2.981 12.123 3.552 1.00 0.00 C ATOM 150 CG TYR A 23 -3.896 13.286 3.257 1.00 0.00 C ATOM 151 CD1 TYR A 23 -3.643 14.115 2.158 1.00 0.00 C ATOM 152 CD2 TYR A 23 -4.997 13.536 4.085 1.00 0.00 C ATOM 153 CE1 TYR A 23 -4.491 15.193 1.885 1.00 0.00 C ATOM 154 CE2 TYR A 23 -5.846 14.615 3.811 1.00 0.00 C ATOM 155 CZ TYR A 23 -5.593 15.444 2.712 1.00 0.00 C ATOM 156 OH TYR A 23 -6.430 16.508 2.442 1.00 0.00 O ATOM 0 H TYR A 23 -4.110 9.510 2.546 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.716 11.853 1.428 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.367 11.547 4.393 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.995 12.486 3.840 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -2.793 13.922 1.521 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.191 12.897 4.934 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.296 15.832 1.036 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.697 14.808 4.448 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.145 16.540 3.111 1.00 0.00 H new ATOM 166 N VAL A 24 -1.724 9.155 1.809 1.00 0.00 N ATOM 167 CA VAL A 24 -0.604 8.184 1.937 1.00 0.00 C ATOM 168 C VAL A 24 -0.107 7.776 0.547 1.00 0.00 C ATOM 169 O VAL A 24 -0.826 7.186 -0.235 1.00 0.00 O ATOM 170 CB VAL A 24 -1.098 6.951 2.696 1.00 0.00 C ATOM 171 CG1 VAL A 24 -1.960 6.083 1.776 1.00 0.00 C ATOM 172 CG2 VAL A 24 0.104 6.139 3.184 1.00 0.00 C ATOM 0 H VAL A 24 -2.477 8.871 1.182 1.00 0.00 H new ATOM 0 HA VAL A 24 0.220 8.644 2.483 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.696 7.271 3.549 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.308 5.207 2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.818 6.660 1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.369 5.763 0.918 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.246 5.260 3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.702 5.824 2.329 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.714 6.754 3.846 1.00 0.00 H new ATOM 182 N LYS A 25 1.124 8.077 0.236 1.00 0.00 N ATOM 183 CA LYS A 25 1.670 7.696 -1.096 1.00 0.00 C ATOM 184 C LYS A 25 2.543 6.452 -0.933 1.00 0.00 C ATOM 185 O LYS A 25 3.718 6.541 -0.636 1.00 0.00 O ATOM 186 CB LYS A 25 2.514 8.842 -1.656 1.00 0.00 C ATOM 187 CG LYS A 25 2.524 8.763 -3.183 1.00 0.00 C ATOM 188 CD LYS A 25 3.477 9.822 -3.743 1.00 0.00 C ATOM 189 CE LYS A 25 2.668 10.917 -4.440 1.00 0.00 C ATOM 190 NZ LYS A 25 2.727 10.716 -5.916 1.00 0.00 N ATOM 0 H LYS A 25 1.775 8.570 0.847 1.00 0.00 H new ATOM 0 HA LYS A 25 0.850 7.489 -1.784 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.107 9.800 -1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.532 8.781 -1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.838 7.770 -3.504 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.518 8.921 -3.573 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.074 10.252 -2.938 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.173 9.365 -4.447 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.633 10.891 -4.100 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.065 11.898 -4.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.177 11.461 -6.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.716 10.761 -6.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.329 9.786 -6.156 1.00 0.00 H new ATOM 204 N GLU A 26 1.976 5.292 -1.111 1.00 0.00 N ATOM 205 CA GLU A 26 2.773 4.044 -0.950 1.00 0.00 C ATOM 206 C GLU A 26 3.677 3.836 -2.161 1.00 0.00 C ATOM 207 O GLU A 26 3.303 4.101 -3.287 1.00 0.00 O ATOM 208 CB GLU A 26 1.827 2.848 -0.814 1.00 0.00 C ATOM 209 CG GLU A 26 0.576 3.267 -0.040 1.00 0.00 C ATOM 210 CD GLU A 26 -0.143 2.019 0.477 1.00 0.00 C ATOM 211 OE1 GLU A 26 0.508 0.995 0.604 1.00 0.00 O ATOM 212 OE2 GLU A 26 -1.332 2.109 0.737 1.00 0.00 O ATOM 0 H GLU A 26 0.997 5.154 -1.361 1.00 0.00 H new ATOM 0 HA GLU A 26 3.390 4.132 -0.055 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.549 2.478 -1.801 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.330 2.031 -0.297 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.850 3.914 0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.088 3.842 -0.685 1.00 0.00 H new ATOM 219 N MET A 27 4.868 3.352 -1.935 1.00 0.00 N ATOM 220 CA MET A 27 5.805 3.110 -3.063 1.00 0.00 C ATOM 221 C MET A 27 6.380 1.694 -2.934 1.00 0.00 C ATOM 222 O MET A 27 7.046 1.388 -1.962 1.00 0.00 O ATOM 223 CB MET A 27 6.946 4.128 -3.002 1.00 0.00 C ATOM 224 CG MET A 27 6.958 4.962 -4.284 1.00 0.00 C ATOM 225 SD MET A 27 5.939 6.440 -4.051 1.00 0.00 S ATOM 226 CE MET A 27 5.247 6.504 -5.722 1.00 0.00 C ATOM 0 H MET A 27 5.232 3.113 -1.012 1.00 0.00 H new ATOM 0 HA MET A 27 5.278 3.212 -4.012 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.822 4.777 -2.135 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.900 3.614 -2.882 1.00 0.00 H new ATOM 0 HG2 MET A 27 7.979 5.247 -4.536 1.00 0.00 H new ATOM 0 HG3 MET A 27 6.577 4.372 -5.118 1.00 0.00 H new ATOM 0 HE1 MET A 27 4.575 7.358 -5.805 1.00 0.00 H new ATOM 0 HE2 MET A 27 6.055 6.607 -6.447 1.00 0.00 H new ATOM 0 HE3 MET A 27 4.694 5.586 -5.922 1.00 0.00 H new ATOM 236 N PRO A 28 6.112 0.865 -3.915 1.00 0.00 N ATOM 237 CA PRO A 28 6.598 -0.524 -3.920 1.00 0.00 C ATOM 238 C PRO A 28 8.100 -0.552 -4.196 1.00 0.00 C ATOM 239 O PRO A 28 8.730 -1.591 -4.177 1.00 0.00 O ATOM 240 CB PRO A 28 5.800 -1.187 -5.048 1.00 0.00 C ATOM 241 CG PRO A 28 5.323 -0.042 -5.970 1.00 0.00 C ATOM 242 CD PRO A 28 5.326 1.237 -5.110 1.00 0.00 C ATOM 0 HA PRO A 28 6.460 -1.038 -2.969 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.419 -1.897 -5.597 1.00 0.00 H new ATOM 0 HB3 PRO A 28 4.952 -1.745 -4.649 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.985 0.066 -6.830 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.326 -0.246 -6.359 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.780 2.074 -5.641 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.314 1.540 -4.843 1.00 0.00 H new ATOM 250 N ASP A 29 8.682 0.592 -4.431 1.00 0.00 N ATOM 251 CA ASP A 29 10.144 0.647 -4.683 1.00 0.00 C ATOM 252 C ASP A 29 10.859 0.954 -3.367 1.00 0.00 C ATOM 253 O ASP A 29 12.023 1.295 -3.354 1.00 0.00 O ATOM 254 CB ASP A 29 10.455 1.746 -5.705 1.00 0.00 C ATOM 255 CG ASP A 29 9.562 2.960 -5.446 1.00 0.00 C ATOM 256 OD1 ASP A 29 9.892 3.738 -4.567 1.00 0.00 O ATOM 257 OD2 ASP A 29 8.561 3.090 -6.132 1.00 0.00 O ATOM 0 H ASP A 29 8.204 1.492 -4.459 1.00 0.00 H new ATOM 0 HA ASP A 29 10.485 -0.310 -5.078 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.504 2.033 -5.636 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.292 1.372 -6.716 1.00 0.00 H new ATOM 262 N LYS A 30 10.152 0.842 -2.263 1.00 0.00 N ATOM 263 CA LYS A 30 10.738 1.121 -0.927 1.00 0.00 C ATOM 264 C LYS A 30 10.642 2.617 -0.644 1.00 0.00 C ATOM 265 O LYS A 30 11.636 3.290 -0.456 1.00 0.00 O ATOM 266 CB LYS A 30 12.198 0.683 -0.890 1.00 0.00 C ATOM 267 CG LYS A 30 12.328 -0.734 -1.450 1.00 0.00 C ATOM 268 CD LYS A 30 13.414 -1.490 -0.682 1.00 0.00 C ATOM 269 CE LYS A 30 14.363 -2.168 -1.672 1.00 0.00 C ATOM 270 NZ LYS A 30 15.237 -1.141 -2.304 1.00 0.00 N ATOM 0 H LYS A 30 9.171 0.562 -2.242 1.00 0.00 H new ATOM 0 HA LYS A 30 10.188 0.565 -0.168 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.809 1.372 -1.473 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.571 0.715 0.134 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.376 -1.258 -1.365 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.578 -0.696 -2.510 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.968 -0.802 -0.044 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.960 -2.235 -0.029 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.971 -2.912 -1.158 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.792 -2.696 -2.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.038 -1.609 -2.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.689 -0.603 -3.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.595 -0.493 -1.574 1.00 0.00 H new ATOM 284 N THR A 31 9.450 3.147 -0.620 1.00 0.00 N ATOM 285 CA THR A 31 9.296 4.602 -0.355 1.00 0.00 C ATOM 286 C THR A 31 7.867 4.907 0.100 1.00 0.00 C ATOM 287 O THR A 31 6.988 4.067 0.047 1.00 0.00 O ATOM 288 CB THR A 31 9.601 5.386 -1.627 1.00 0.00 C ATOM 289 OG1 THR A 31 10.440 4.612 -2.473 1.00 0.00 O ATOM 290 CG2 THR A 31 10.304 6.695 -1.263 1.00 0.00 C ATOM 0 H THR A 31 8.580 2.636 -0.772 1.00 0.00 H new ATOM 0 HA THR A 31 9.990 4.894 0.433 1.00 0.00 H new ATOM 0 HB THR A 31 8.670 5.608 -2.149 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.989 4.459 -3.329 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.522 7.256 -2.172 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.657 7.288 -0.617 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.235 6.475 -0.740 1.00 0.00 H new ATOM 298 N PHE A 32 7.637 6.111 0.543 1.00 0.00 N ATOM 299 CA PHE A 32 6.277 6.506 1.010 1.00 0.00 C ATOM 300 C PHE A 32 6.189 8.033 1.032 1.00 0.00 C ATOM 301 O PHE A 32 7.185 8.715 1.170 1.00 0.00 O ATOM 302 CB PHE A 32 6.045 5.963 2.422 1.00 0.00 C ATOM 303 CG PHE A 32 5.476 4.570 2.332 1.00 0.00 C ATOM 304 CD1 PHE A 32 4.104 4.388 2.125 1.00 0.00 C ATOM 305 CD2 PHE A 32 6.321 3.459 2.442 1.00 0.00 C ATOM 306 CE1 PHE A 32 3.576 3.096 2.031 1.00 0.00 C ATOM 307 CE2 PHE A 32 5.793 2.168 2.347 1.00 0.00 C ATOM 308 CZ PHE A 32 4.421 1.986 2.140 1.00 0.00 C ATOM 0 H PHE A 32 8.341 6.847 0.602 1.00 0.00 H new ATOM 0 HA PHE A 32 5.521 6.099 0.339 1.00 0.00 H new ATOM 0 HB2 PHE A 32 6.983 5.950 2.978 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.361 6.614 2.966 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.453 5.245 2.038 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.380 3.599 2.600 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.517 2.955 1.874 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.444 1.311 2.433 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.014 0.988 2.064 1.00 0.00 H new ATOM 318 N GLU A 33 5.012 8.581 0.899 1.00 0.00 N ATOM 319 CA GLU A 33 4.886 10.065 0.910 1.00 0.00 C ATOM 320 C GLU A 33 3.561 10.476 1.556 1.00 0.00 C ATOM 321 O GLU A 33 2.525 10.485 0.921 1.00 0.00 O ATOM 322 CB GLU A 33 4.931 10.591 -0.527 1.00 0.00 C ATOM 323 CG GLU A 33 5.985 11.695 -0.635 1.00 0.00 C ATOM 324 CD GLU A 33 7.097 11.246 -1.585 1.00 0.00 C ATOM 325 OE1 GLU A 33 6.930 11.414 -2.781 1.00 0.00 O ATOM 326 OE2 GLU A 33 8.096 10.741 -1.099 1.00 0.00 O ATOM 0 H GLU A 33 4.138 8.069 0.784 1.00 0.00 H new ATOM 0 HA GLU A 33 5.711 10.486 1.485 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.168 9.779 -1.215 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.953 10.978 -0.814 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.528 12.614 -1.001 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.399 11.915 0.349 1.00 0.00 H new ATOM 333 N CYS A 34 3.589 10.832 2.811 1.00 0.00 N ATOM 334 CA CYS A 34 2.338 11.263 3.497 1.00 0.00 C ATOM 335 C CYS A 34 1.857 12.571 2.864 1.00 0.00 C ATOM 336 O CYS A 34 2.412 13.625 3.099 1.00 0.00 O ATOM 337 CB CYS A 34 2.636 11.483 4.982 1.00 0.00 C ATOM 338 SG CYS A 34 1.096 11.679 5.918 1.00 0.00 S ATOM 0 H CYS A 34 4.427 10.843 3.393 1.00 0.00 H new ATOM 0 HA CYS A 34 1.565 10.502 3.393 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.202 10.638 5.374 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.259 12.369 5.106 1.00 0.00 H new ATOM 343 N LEU A 35 0.838 12.511 2.051 1.00 0.00 N ATOM 344 CA LEU A 35 0.333 13.751 1.393 1.00 0.00 C ATOM 345 C LEU A 35 -0.536 14.552 2.366 1.00 0.00 C ATOM 346 O LEU A 35 -1.183 15.507 1.986 1.00 0.00 O ATOM 347 CB LEU A 35 -0.499 13.370 0.166 1.00 0.00 C ATOM 348 CG LEU A 35 0.221 12.275 -0.621 1.00 0.00 C ATOM 349 CD1 LEU A 35 -0.681 11.044 -0.724 1.00 0.00 C ATOM 350 CD2 LEU A 35 0.544 12.789 -2.027 1.00 0.00 C ATOM 0 H LEU A 35 0.333 11.657 1.813 1.00 0.00 H new ATOM 0 HA LEU A 35 1.183 14.363 1.091 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.484 13.021 0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.655 14.244 -0.466 1.00 0.00 H new ATOM 0 HG LEU A 35 1.145 12.006 -0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.168 10.263 -1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.914 10.679 0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.605 11.312 -1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.058 12.010 -2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.381 13.056 -2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.186 13.667 -1.955 1.00 0.00 H new ATOM 362 N PHE A 36 -0.558 14.180 3.617 1.00 0.00 N ATOM 363 CA PHE A 36 -1.388 14.934 4.596 1.00 0.00 C ATOM 364 C PHE A 36 -0.924 16.395 4.638 1.00 0.00 C ATOM 365 O PHE A 36 0.259 16.667 4.565 1.00 0.00 O ATOM 366 CB PHE A 36 -1.219 14.307 5.977 1.00 0.00 C ATOM 367 CG PHE A 36 -1.987 15.105 7.000 1.00 0.00 C ATOM 368 CD1 PHE A 36 -1.402 16.225 7.599 1.00 0.00 C ATOM 369 CD2 PHE A 36 -3.277 14.712 7.362 1.00 0.00 C ATOM 370 CE1 PHE A 36 -2.110 16.954 8.560 1.00 0.00 C ATOM 371 CE2 PHE A 36 -3.987 15.438 8.325 1.00 0.00 C ATOM 372 CZ PHE A 36 -3.402 16.560 8.925 1.00 0.00 C ATOM 0 H PHE A 36 -0.039 13.390 4.001 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.436 14.896 4.299 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.575 13.277 5.964 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.163 14.276 6.245 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.403 16.527 7.320 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.727 13.847 6.898 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.659 17.821 9.020 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.985 15.133 8.605 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.948 17.121 9.669 1.00 0.00 H new ATOM 382 N PRO A 37 -1.869 17.293 4.756 1.00 0.00 N ATOM 383 CA PRO A 37 -1.580 18.736 4.810 1.00 0.00 C ATOM 384 C PRO A 37 -1.025 19.108 6.181 1.00 0.00 C ATOM 385 O PRO A 37 -1.716 19.076 7.179 1.00 0.00 O ATOM 386 CB PRO A 37 -2.940 19.390 4.553 1.00 0.00 C ATOM 387 CG PRO A 37 -4.007 18.329 4.918 1.00 0.00 C ATOM 388 CD PRO A 37 -3.304 16.959 4.855 1.00 0.00 C ATOM 0 HA PRO A 37 -0.830 19.057 4.087 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.061 20.288 5.159 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.035 19.694 3.511 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.411 18.512 5.914 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.845 18.367 4.222 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.514 16.362 5.743 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.638 16.379 3.995 1.00 0.00 H new ATOM 396 N GLY A 38 0.231 19.440 6.231 1.00 0.00 N ATOM 397 CA GLY A 38 0.865 19.793 7.527 1.00 0.00 C ATOM 398 C GLY A 38 1.992 18.798 7.781 1.00 0.00 C ATOM 399 O GLY A 38 2.928 19.068 8.508 1.00 0.00 O ATOM 0 H GLY A 38 0.851 19.482 5.422 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.254 20.811 7.497 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.133 19.755 8.333 1.00 0.00 H new ATOM 403 N CYS A 39 1.908 17.645 7.171 1.00 0.00 N ATOM 404 CA CYS A 39 2.973 16.620 7.356 1.00 0.00 C ATOM 405 C CYS A 39 4.259 17.098 6.681 1.00 0.00 C ATOM 406 O CYS A 39 4.262 18.058 5.936 1.00 0.00 O ATOM 407 CB CYS A 39 2.530 15.308 6.708 1.00 0.00 C ATOM 408 SG CYS A 39 3.529 13.943 7.352 1.00 0.00 S ATOM 0 H CYS A 39 1.146 17.370 6.552 1.00 0.00 H new ATOM 0 HA CYS A 39 3.149 16.467 8.421 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.475 15.128 6.913 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.638 15.371 5.625 1.00 0.00 H new ATOM 413 N THR A 40 5.352 16.433 6.930 1.00 0.00 N ATOM 414 CA THR A 40 6.634 16.845 6.298 1.00 0.00 C ATOM 415 C THR A 40 7.656 15.717 6.443 1.00 0.00 C ATOM 416 O THR A 40 8.848 15.951 6.494 1.00 0.00 O ATOM 417 CB THR A 40 7.163 18.106 6.988 1.00 0.00 C ATOM 418 OG1 THR A 40 6.165 18.619 7.860 1.00 0.00 O ATOM 419 CG2 THR A 40 7.511 19.159 5.935 1.00 0.00 C ATOM 0 H THR A 40 5.412 15.621 7.545 1.00 0.00 H new ATOM 0 HA THR A 40 6.468 17.054 5.241 1.00 0.00 H new ATOM 0 HB THR A 40 8.057 17.859 7.561 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.502 19.425 8.304 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.887 20.056 6.428 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.275 18.765 5.265 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.619 19.408 5.361 1.00 0.00 H new ATOM 427 N LYS A 41 7.206 14.491 6.514 1.00 0.00 N ATOM 428 CA LYS A 41 8.172 13.364 6.659 1.00 0.00 C ATOM 429 C LYS A 41 7.759 12.188 5.768 1.00 0.00 C ATOM 430 O LYS A 41 6.662 11.673 5.865 1.00 0.00 O ATOM 431 CB LYS A 41 8.213 12.910 8.121 1.00 0.00 C ATOM 432 CG LYS A 41 6.791 12.835 8.682 1.00 0.00 C ATOM 433 CD LYS A 41 6.834 13.064 10.194 1.00 0.00 C ATOM 434 CE LYS A 41 7.496 11.862 10.871 1.00 0.00 C ATOM 435 NZ LYS A 41 6.878 11.643 12.209 1.00 0.00 N ATOM 0 H LYS A 41 6.222 14.224 6.478 1.00 0.00 H new ATOM 0 HA LYS A 41 9.161 13.706 6.353 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.695 11.935 8.195 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.810 13.606 8.711 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.160 13.585 8.206 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.351 11.862 8.462 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.390 13.974 10.419 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.824 13.203 10.581 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.377 10.972 10.253 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.567 12.035 10.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.328 10.826 12.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.014 12.490 12.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.861 11.460 12.096 1.00 0.00 H new ATOM 449 N THR A 42 8.644 11.753 4.910 1.00 0.00 N ATOM 450 CA THR A 42 8.328 10.601 4.016 1.00 0.00 C ATOM 451 C THR A 42 8.952 9.337 4.609 1.00 0.00 C ATOM 452 O THR A 42 9.629 9.388 5.617 1.00 0.00 O ATOM 453 CB THR A 42 8.918 10.855 2.628 1.00 0.00 C ATOM 454 OG1 THR A 42 10.278 10.446 2.611 1.00 0.00 O ATOM 455 CG2 THR A 42 8.828 12.345 2.296 1.00 0.00 C ATOM 0 H THR A 42 9.577 12.148 4.790 1.00 0.00 H new ATOM 0 HA THR A 42 7.248 10.481 3.931 1.00 0.00 H new ATOM 0 HB THR A 42 8.357 10.286 1.886 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.657 10.607 1.722 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.249 12.523 1.307 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.784 12.658 2.308 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.387 12.917 3.037 1.00 0.00 H new ATOM 463 N PHE A 43 8.733 8.198 4.007 1.00 0.00 N ATOM 464 CA PHE A 43 9.325 6.950 4.570 1.00 0.00 C ATOM 465 C PHE A 43 9.557 5.928 3.455 1.00 0.00 C ATOM 466 O PHE A 43 9.437 6.228 2.284 1.00 0.00 O ATOM 467 CB PHE A 43 8.377 6.348 5.614 1.00 0.00 C ATOM 468 CG PHE A 43 7.496 7.427 6.202 1.00 0.00 C ATOM 469 CD1 PHE A 43 6.504 8.028 5.416 1.00 0.00 C ATOM 470 CD2 PHE A 43 7.668 7.821 7.533 1.00 0.00 C ATOM 471 CE1 PHE A 43 5.686 9.024 5.963 1.00 0.00 C ATOM 472 CE2 PHE A 43 6.849 8.816 8.080 1.00 0.00 C ATOM 473 CZ PHE A 43 5.858 9.417 7.295 1.00 0.00 C ATOM 0 H PHE A 43 8.177 8.078 3.160 1.00 0.00 H new ATOM 0 HA PHE A 43 10.277 7.197 5.039 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.761 5.576 5.154 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.953 5.867 6.405 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.370 7.723 4.389 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.433 7.358 8.139 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.922 9.489 5.357 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.982 9.120 9.108 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.226 10.184 7.717 1.00 0.00 H new ATOM 483 N LYS A 44 9.889 4.718 3.819 1.00 0.00 N ATOM 484 CA LYS A 44 10.132 3.663 2.795 1.00 0.00 C ATOM 485 C LYS A 44 10.079 2.291 3.469 1.00 0.00 C ATOM 486 O LYS A 44 10.934 1.951 4.263 1.00 0.00 O ATOM 487 CB LYS A 44 11.514 3.864 2.169 1.00 0.00 C ATOM 488 CG LYS A 44 12.545 4.111 3.272 1.00 0.00 C ATOM 489 CD LYS A 44 12.965 5.582 3.260 1.00 0.00 C ATOM 490 CE LYS A 44 14.306 5.736 3.981 1.00 0.00 C ATOM 491 NZ LYS A 44 15.222 6.573 3.155 1.00 0.00 N ATOM 0 H LYS A 44 10.003 4.415 4.786 1.00 0.00 H new ATOM 0 HA LYS A 44 9.370 3.725 2.018 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.792 2.985 1.587 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.493 4.709 1.481 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.124 3.850 4.243 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.415 3.472 3.120 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.049 5.939 2.233 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.205 6.192 3.748 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.155 6.198 4.957 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.751 4.757 4.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.133 6.678 3.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.375 6.115 2.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.798 7.511 3.009 1.00 0.00 H new ATOM 505 N ARG A 45 9.089 1.496 3.162 1.00 0.00 N ATOM 506 CA ARG A 45 9.000 0.148 3.796 1.00 0.00 C ATOM 507 C ARG A 45 7.709 -0.553 3.354 1.00 0.00 C ATOM 508 O ARG A 45 7.650 -1.142 2.294 1.00 0.00 O ATOM 509 CB ARG A 45 9.012 0.298 5.320 1.00 0.00 C ATOM 510 CG ARG A 45 8.826 -1.074 5.971 1.00 0.00 C ATOM 511 CD ARG A 45 10.185 -1.765 6.105 1.00 0.00 C ATOM 512 NE ARG A 45 10.564 -1.842 7.544 1.00 0.00 N ATOM 513 CZ ARG A 45 9.932 -2.659 8.341 1.00 0.00 C ATOM 514 NH1 ARG A 45 9.647 -3.868 7.944 1.00 0.00 N ATOM 515 NH2 ARG A 45 9.584 -2.265 9.535 1.00 0.00 N ATOM 0 H ARG A 45 8.342 1.719 2.504 1.00 0.00 H new ATOM 0 HA ARG A 45 9.854 -0.453 3.484 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.953 0.741 5.645 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.216 0.973 5.636 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.364 -0.963 6.952 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.153 -1.685 5.370 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.140 -2.766 5.676 1.00 0.00 H new ATOM 0 HD3 ARG A 45 10.942 -1.213 5.548 1.00 0.00 H new ATOM 0 HE ARG A 45 11.317 -1.256 7.906 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.918 -4.175 7.010 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.153 -4.506 8.568 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.806 -1.319 9.845 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.090 -2.903 10.159 1.00 0.00 H new ATOM 529 N ARG A 46 6.677 -0.505 4.158 1.00 0.00 N ATOM 530 CA ARG A 46 5.406 -1.183 3.769 1.00 0.00 C ATOM 531 C ARG A 46 4.218 -0.533 4.492 1.00 0.00 C ATOM 532 O ARG A 46 3.706 0.484 4.073 1.00 0.00 O ATOM 533 CB ARG A 46 5.487 -2.662 4.151 1.00 0.00 C ATOM 534 CG ARG A 46 6.231 -3.434 3.061 1.00 0.00 C ATOM 535 CD ARG A 46 5.636 -4.837 2.931 1.00 0.00 C ATOM 536 NE ARG A 46 6.736 -5.835 2.828 1.00 0.00 N ATOM 537 CZ ARG A 46 6.513 -7.087 3.127 1.00 0.00 C ATOM 538 NH1 ARG A 46 5.904 -7.392 4.241 1.00 0.00 N ATOM 539 NH2 ARG A 46 6.897 -8.030 2.312 1.00 0.00 N ATOM 0 H ARG A 46 6.660 -0.029 5.060 1.00 0.00 H new ATOM 0 HA ARG A 46 5.263 -1.085 2.693 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.002 -2.774 5.105 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.484 -3.070 4.280 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.155 -2.906 2.110 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.291 -3.499 3.306 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.009 -5.059 3.794 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.997 -4.892 2.050 1.00 0.00 H new ATOM 0 HE ARG A 46 7.664 -5.541 2.524 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.603 -6.653 4.877 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.729 -8.369 4.476 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.371 -7.790 1.441 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.723 -9.008 2.545 1.00 0.00 H new ATOM 553 N TYR A 47 3.766 -1.115 5.571 1.00 0.00 N ATOM 554 CA TYR A 47 2.606 -0.528 6.302 1.00 0.00 C ATOM 555 C TYR A 47 3.109 0.089 7.598 1.00 0.00 C ATOM 556 O TYR A 47 2.581 -0.167 8.662 1.00 0.00 O ATOM 557 CB TYR A 47 1.587 -1.619 6.656 1.00 0.00 C ATOM 558 CG TYR A 47 2.093 -2.966 6.208 1.00 0.00 C ATOM 559 CD1 TYR A 47 2.953 -3.697 7.035 1.00 0.00 C ATOM 560 CD2 TYR A 47 1.705 -3.477 4.970 1.00 0.00 C ATOM 561 CE1 TYR A 47 3.424 -4.948 6.619 1.00 0.00 C ATOM 562 CE2 TYR A 47 2.174 -4.727 4.551 1.00 0.00 C ATOM 563 CZ TYR A 47 3.034 -5.463 5.376 1.00 0.00 C ATOM 564 OH TYR A 47 3.496 -6.697 4.964 1.00 0.00 O ATOM 0 H TYR A 47 4.149 -1.969 5.977 1.00 0.00 H new ATOM 0 HA TYR A 47 2.131 0.220 5.668 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.411 -1.628 7.732 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.631 -1.404 6.178 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.253 -3.297 7.992 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.043 -2.908 4.335 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.087 -5.515 7.255 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.873 -5.124 3.593 1.00 0.00 H new ATOM 0 HH TYR A 47 3.129 -6.905 4.079 1.00 0.00 H new ATOM 574 N ASN A 48 4.125 0.891 7.533 1.00 0.00 N ATOM 575 CA ASN A 48 4.636 1.492 8.782 1.00 0.00 C ATOM 576 C ASN A 48 4.225 2.959 8.836 1.00 0.00 C ATOM 577 O ASN A 48 3.613 3.415 9.785 1.00 0.00 O ATOM 578 CB ASN A 48 6.161 1.376 8.824 1.00 0.00 C ATOM 579 CG ASN A 48 6.554 0.021 9.418 1.00 0.00 C ATOM 580 OD1 ASN A 48 7.616 -0.119 9.990 1.00 0.00 O ATOM 581 ND2 ASN A 48 5.737 -0.989 9.304 1.00 0.00 N ATOM 0 H ASN A 48 4.618 1.154 6.680 1.00 0.00 H new ATOM 0 HA ASN A 48 4.218 0.966 9.640 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.572 1.478 7.820 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.581 2.183 9.423 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.990 -1.896 9.695 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.845 -0.872 8.824 1.00 0.00 H new ATOM 588 N ILE A 49 4.547 3.701 7.819 1.00 0.00 N ATOM 589 CA ILE A 49 4.159 5.140 7.816 1.00 0.00 C ATOM 590 C ILE A 49 2.634 5.217 7.905 1.00 0.00 C ATOM 591 O ILE A 49 2.080 6.131 8.481 1.00 0.00 O ATOM 592 CB ILE A 49 4.693 5.876 6.553 1.00 0.00 C ATOM 593 CG1 ILE A 49 3.540 6.381 5.674 1.00 0.00 C ATOM 594 CG2 ILE A 49 5.579 4.957 5.712 1.00 0.00 C ATOM 595 CD1 ILE A 49 2.877 5.198 4.971 1.00 0.00 C ATOM 0 H ILE A 49 5.057 3.381 6.996 1.00 0.00 H new ATOM 0 HA ILE A 49 4.607 5.644 8.672 1.00 0.00 H new ATOM 0 HB ILE A 49 5.279 6.724 6.907 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.809 6.911 6.284 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.915 7.092 4.937 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.937 5.498 4.837 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.430 4.627 6.308 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.002 4.089 5.391 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.059 5.558 4.347 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.611 4.687 4.348 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.488 4.504 5.716 1.00 0.00 H new ATOM 607 N ARG A 50 1.949 4.252 7.349 1.00 0.00 N ATOM 608 CA ARG A 50 0.465 4.268 7.423 1.00 0.00 C ATOM 609 C ARG A 50 0.064 4.474 8.879 1.00 0.00 C ATOM 610 O ARG A 50 -0.810 5.258 9.191 1.00 0.00 O ATOM 611 CB ARG A 50 -0.094 2.936 6.917 1.00 0.00 C ATOM 612 CG ARG A 50 -1.550 3.124 6.489 1.00 0.00 C ATOM 613 CD ARG A 50 -2.424 2.064 7.161 1.00 0.00 C ATOM 614 NE ARG A 50 -2.348 0.794 6.387 1.00 0.00 N ATOM 615 CZ ARG A 50 -3.094 -0.221 6.725 1.00 0.00 C ATOM 616 NH1 ARG A 50 -3.058 -0.681 7.945 1.00 0.00 N ATOM 617 NH2 ARG A 50 -3.878 -0.776 5.841 1.00 0.00 N ATOM 0 H ARG A 50 2.353 3.459 6.850 1.00 0.00 H new ATOM 0 HA ARG A 50 0.066 5.071 6.804 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.500 2.576 6.077 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.029 2.181 7.700 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.894 4.121 6.764 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.634 3.045 5.405 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.090 1.898 8.185 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.457 2.409 7.214 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.713 0.718 5.593 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.446 -0.247 8.636 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.642 -1.475 8.208 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.907 -0.416 4.887 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.462 -1.570 6.104 1.00 0.00 H new ATOM 631 N SER A 51 0.717 3.789 9.781 1.00 0.00 N ATOM 632 CA SER A 51 0.391 3.965 11.219 1.00 0.00 C ATOM 633 C SER A 51 0.817 5.370 11.634 1.00 0.00 C ATOM 634 O SER A 51 0.187 6.011 12.452 1.00 0.00 O ATOM 635 CB SER A 51 1.149 2.930 12.049 1.00 0.00 C ATOM 636 OG SER A 51 0.799 3.077 13.419 1.00 0.00 O ATOM 0 H SER A 51 1.459 3.118 9.581 1.00 0.00 H new ATOM 0 HA SER A 51 -0.678 3.831 11.384 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.907 1.924 11.706 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.224 3.060 11.920 1.00 0.00 H new ATOM 0 HG SER A 51 1.283 2.413 13.953 1.00 0.00 H new ATOM 642 N HIS A 52 1.883 5.857 11.059 1.00 0.00 N ATOM 643 CA HIS A 52 2.358 7.227 11.399 1.00 0.00 C ATOM 644 C HIS A 52 1.216 8.215 11.167 1.00 0.00 C ATOM 645 O HIS A 52 0.996 9.119 11.949 1.00 0.00 O ATOM 646 CB HIS A 52 3.588 7.566 10.523 1.00 0.00 C ATOM 647 CG HIS A 52 3.515 8.978 9.982 1.00 0.00 C ATOM 648 ND1 HIS A 52 4.464 9.939 10.290 1.00 0.00 N ATOM 649 CD2 HIS A 52 2.598 9.605 9.172 1.00 0.00 C ATOM 650 CE1 HIS A 52 4.096 11.081 9.681 1.00 0.00 C ATOM 651 NE2 HIS A 52 2.963 10.933 8.988 1.00 0.00 N ATOM 0 H HIS A 52 2.446 5.363 10.367 1.00 0.00 H new ATOM 0 HA HIS A 52 2.658 7.287 12.445 1.00 0.00 H new ATOM 0 HB2 HIS A 52 4.498 7.448 11.111 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.650 6.861 9.694 1.00 0.00 H new ATOM 0 HD1 HIS A 52 5.291 9.805 10.872 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.725 9.136 8.743 1.00 0.00 H new ATOM 0 HE1 HIS A 52 4.650 12.006 9.745 1.00 0.00 H new ATOM 659 N ILE A 53 0.483 8.048 10.107 1.00 0.00 N ATOM 660 CA ILE A 53 -0.644 8.977 9.846 1.00 0.00 C ATOM 661 C ILE A 53 -1.723 8.720 10.886 1.00 0.00 C ATOM 662 O ILE A 53 -2.098 9.593 11.635 1.00 0.00 O ATOM 663 CB ILE A 53 -1.217 8.724 8.448 1.00 0.00 C ATOM 664 CG1 ILE A 53 -0.114 8.858 7.398 1.00 0.00 C ATOM 665 CG2 ILE A 53 -2.316 9.744 8.156 1.00 0.00 C ATOM 666 CD1 ILE A 53 -0.710 8.649 6.004 1.00 0.00 C ATOM 0 H ILE A 53 0.614 7.312 9.413 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.296 10.008 9.903 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.629 7.716 8.410 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.348 9.843 7.464 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.671 8.125 7.584 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.724 9.564 7.161 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.109 9.646 8.897 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.900 10.750 8.201 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.076 8.744 5.254 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.152 7.654 5.942 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.479 9.399 5.821 1.00 0.00 H new ATOM 678 N GLN A 54 -2.217 7.520 10.939 1.00 0.00 N ATOM 679 CA GLN A 54 -3.274 7.194 11.933 1.00 0.00 C ATOM 680 C GLN A 54 -2.919 7.814 13.280 1.00 0.00 C ATOM 681 O GLN A 54 -3.787 8.104 14.079 1.00 0.00 O ATOM 682 CB GLN A 54 -3.399 5.676 12.075 1.00 0.00 C ATOM 683 CG GLN A 54 -4.712 5.210 11.440 1.00 0.00 C ATOM 684 CD GLN A 54 -4.413 4.203 10.328 1.00 0.00 C ATOM 685 OE1 GLN A 54 -5.049 3.171 10.239 1.00 0.00 O ATOM 686 NE2 GLN A 54 -3.462 4.458 9.472 1.00 0.00 N ATOM 0 H GLN A 54 -1.935 6.747 10.336 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.227 7.599 11.593 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.555 5.184 11.592 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.372 5.395 13.128 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.352 4.754 12.196 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.256 6.064 11.035 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.928 5.324 9.546 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.253 3.792 8.729 1.00 0.00 H new ATOM 695 N THR A 55 -1.661 8.038 13.548 1.00 0.00 N ATOM 696 CA THR A 55 -1.308 8.659 14.848 1.00 0.00 C ATOM 697 C THR A 55 -1.500 10.165 14.732 1.00 0.00 C ATOM 698 O THR A 55 -2.154 10.785 15.548 1.00 0.00 O ATOM 699 CB THR A 55 0.145 8.338 15.207 1.00 0.00 C ATOM 700 OG1 THR A 55 1.013 9.008 14.302 1.00 0.00 O ATOM 701 CG2 THR A 55 0.374 6.829 15.113 1.00 0.00 C ATOM 0 H THR A 55 -0.877 7.821 12.932 1.00 0.00 H new ATOM 0 HA THR A 55 -1.950 8.263 15.635 1.00 0.00 H new ATOM 0 HB THR A 55 0.351 8.672 16.224 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.776 8.766 13.382 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.409 6.601 15.369 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.292 6.316 15.806 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.169 6.492 14.097 1.00 0.00 H new ATOM 709 N HIS A 56 -0.950 10.760 13.715 1.00 0.00 N ATOM 710 CA HIS A 56 -1.117 12.216 13.535 1.00 0.00 C ATOM 711 C HIS A 56 -2.283 12.456 12.583 1.00 0.00 C ATOM 712 O HIS A 56 -2.379 13.469 11.919 1.00 0.00 O ATOM 713 CB HIS A 56 0.205 12.808 13.037 1.00 0.00 C ATOM 714 CG HIS A 56 0.247 13.071 11.551 1.00 0.00 C ATOM 715 ND1 HIS A 56 -0.249 14.235 10.984 1.00 0.00 N ATOM 716 CD2 HIS A 56 0.919 12.429 10.550 1.00 0.00 C ATOM 717 CE1 HIS A 56 0.168 14.266 9.699 1.00 0.00 C ATOM 718 NE2 HIS A 56 0.889 13.185 9.385 1.00 0.00 N ATOM 0 H HIS A 56 -0.391 10.295 13.000 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.356 12.717 14.473 1.00 0.00 H new ATOM 0 HB2 HIS A 56 0.393 13.743 13.565 1.00 0.00 H new ATOM 0 HB3 HIS A 56 1.015 12.127 13.297 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -0.822 14.938 11.450 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.405 11.470 10.650 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.054 15.067 9.009 1.00 0.00 H new ATOM 726 N LEU A 57 -3.189 11.511 12.548 1.00 0.00 N ATOM 727 CA LEU A 57 -4.387 11.627 11.686 1.00 0.00 C ATOM 728 C LEU A 57 -5.627 11.211 12.491 1.00 0.00 C ATOM 729 O LEU A 57 -6.724 11.663 12.229 1.00 0.00 O ATOM 730 CB LEU A 57 -4.239 10.711 10.473 1.00 0.00 C ATOM 731 CG LEU A 57 -5.012 11.305 9.301 1.00 0.00 C ATOM 732 CD1 LEU A 57 -4.141 12.349 8.608 1.00 0.00 C ATOM 733 CD2 LEU A 57 -5.370 10.198 8.311 1.00 0.00 C ATOM 0 H LEU A 57 -3.140 10.651 13.094 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.494 12.657 11.347 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.187 10.600 10.212 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.616 9.715 10.706 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.928 11.772 9.663 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.687 12.779 7.768 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.885 13.137 9.316 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.228 11.878 8.244 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.923 10.624 7.473 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.457 9.730 7.943 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.986 9.450 8.809 1.00 0.00 H new ATOM 745 N GLU A 58 -5.466 10.354 13.472 1.00 0.00 N ATOM 746 CA GLU A 58 -6.641 9.923 14.281 1.00 0.00 C ATOM 747 C GLU A 58 -7.165 11.112 15.091 1.00 0.00 C ATOM 748 O GLU A 58 -8.153 11.725 14.741 1.00 0.00 O ATOM 749 CB GLU A 58 -6.216 8.802 15.232 1.00 0.00 C ATOM 750 CG GLU A 58 -7.406 8.384 16.097 1.00 0.00 C ATOM 751 CD GLU A 58 -7.233 6.926 16.529 1.00 0.00 C ATOM 752 OE1 GLU A 58 -6.367 6.266 15.979 1.00 0.00 O ATOM 753 OE2 GLU A 58 -7.971 6.495 17.400 1.00 0.00 O ATOM 0 H GLU A 58 -4.575 9.939 13.743 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.428 9.561 13.620 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.850 7.948 14.663 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.395 9.140 15.864 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.477 9.028 16.973 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.335 8.502 15.539 1.00 0.00 H new ATOM 760 N ASP A 59 -6.510 11.442 16.171 1.00 0.00 N ATOM 761 CA ASP A 59 -6.971 12.592 17.000 1.00 0.00 C ATOM 762 C ASP A 59 -5.889 13.675 17.013 1.00 0.00 C ATOM 763 O ASP A 59 -5.611 14.275 18.033 1.00 0.00 O ATOM 764 CB ASP A 59 -7.238 12.118 18.430 1.00 0.00 C ATOM 765 CG ASP A 59 -8.745 11.972 18.647 1.00 0.00 C ATOM 766 OD1 ASP A 59 -9.375 12.964 18.977 1.00 0.00 O ATOM 767 OD2 ASP A 59 -9.244 10.871 18.482 1.00 0.00 O ATOM 0 H ASP A 59 -5.676 10.965 16.515 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.889 13.000 16.578 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.740 11.164 18.607 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.825 12.831 19.144 1.00 0.00 H new ATOM 772 N ARG A 60 -5.276 13.927 15.890 1.00 0.00 N ATOM 773 CA ARG A 60 -4.212 14.970 15.839 1.00 0.00 C ATOM 774 C ARG A 60 -4.319 15.740 14.521 1.00 0.00 C ATOM 775 O ARG A 60 -3.619 15.380 13.589 1.00 0.00 O ATOM 776 CB ARG A 60 -2.838 14.302 15.930 1.00 0.00 C ATOM 777 CG ARG A 60 -1.962 15.070 16.922 1.00 0.00 C ATOM 778 CD ARG A 60 -1.218 16.187 16.188 1.00 0.00 C ATOM 779 NE ARG A 60 -1.657 17.508 16.721 1.00 0.00 N ATOM 780 CZ ARG A 60 -1.528 17.775 17.992 1.00 0.00 C ATOM 781 NH1 ARG A 60 -0.527 17.276 18.664 1.00 0.00 N ATOM 782 NH2 ARG A 60 -2.400 18.540 18.592 1.00 0.00 N ATOM 783 OXT ARG A 60 -5.098 16.677 14.467 1.00 0.00 O ATOM 0 H ARG A 60 -5.465 13.456 15.005 1.00 0.00 H new ATOM 0 HA ARG A 60 -4.336 15.659 16.675 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.946 13.266 16.250 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.365 14.284 14.948 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.578 15.490 17.717 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.250 14.393 17.394 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.142 16.069 16.318 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.418 16.130 15.118 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.058 18.204 16.092 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.154 16.678 18.196 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.425 17.484 19.657 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.183 18.930 18.067 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.298 18.748 19.585 1.00 0.00 H new TER 797 ARG A 60 HETATM 798 ZN ZN A 61 1.988 12.341 7.938 1.00 0.00 ZN