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 -23:sc= 0.228 USER MOD Single : A 19 SER OG : rot 180:sc= 0 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 -123:sc= -7.85! (180deg=-20!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 123:sc= -2.5! USER MOD Single : A 40 THR OG1 : rot -32:sc= 0.055! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -6.33! K(o=-6.3!,f=-1.2) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -15.533 10.006 12.595 1.00 0.00 N ATOM 2 CA THR A 14 -16.187 9.796 11.272 1.00 0.00 C ATOM 3 C THR A 14 -16.139 8.309 10.911 1.00 0.00 C ATOM 4 O THR A 14 -15.772 7.476 11.715 1.00 0.00 O ATOM 5 CB THR A 14 -15.448 10.606 10.205 1.00 0.00 C ATOM 6 OG1 THR A 14 -14.059 10.317 10.271 1.00 0.00 O ATOM 7 CG2 THR A 14 -15.673 12.100 10.448 1.00 0.00 C ATOM 0 HA THR A 14 -17.225 10.124 11.322 1.00 0.00 H new ATOM 0 HB THR A 14 -15.828 10.340 9.219 1.00 0.00 H new ATOM 0 HG1 THR A 14 -13.838 9.977 11.163 1.00 0.00 H new ATOM 0 HG21 THR A 14 -15.146 12.676 9.687 1.00 0.00 H new ATOM 0 HG22 THR A 14 -16.739 12.321 10.396 1.00 0.00 H new ATOM 0 HG23 THR A 14 -15.294 12.369 11.434 1.00 0.00 H new ATOM 17 N LEU A 15 -16.510 7.969 9.706 1.00 0.00 N ATOM 18 CA LEU A 15 -16.485 6.537 9.296 1.00 0.00 C ATOM 19 C LEU A 15 -15.036 6.040 9.256 1.00 0.00 C ATOM 20 O LEU A 15 -14.134 6.795 8.955 1.00 0.00 O ATOM 21 CB LEU A 15 -17.110 6.393 7.906 1.00 0.00 C ATOM 22 CG LEU A 15 -16.477 7.409 6.953 1.00 0.00 C ATOM 23 CD1 LEU A 15 -15.587 6.678 5.946 1.00 0.00 C ATOM 24 CD2 LEU A 15 -17.581 8.161 6.206 1.00 0.00 C ATOM 0 H LEU A 15 -16.829 8.621 8.989 1.00 0.00 H new ATOM 0 HA LEU A 15 -17.052 5.945 10.014 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -16.957 5.381 7.530 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -18.187 6.553 7.962 1.00 0.00 H new ATOM 0 HG LEU A 15 -15.875 8.117 7.523 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -15.136 7.401 5.267 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -14.802 6.140 6.477 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -16.188 5.971 5.375 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -17.132 8.885 5.526 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -18.182 7.453 5.636 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -18.216 8.681 6.923 1.00 0.00 H new ATOM 36 N PRO A 16 -14.862 4.780 9.566 1.00 0.00 N ATOM 37 CA PRO A 16 -13.533 4.144 9.577 1.00 0.00 C ATOM 38 C PRO A 16 -13.084 3.815 8.150 1.00 0.00 C ATOM 39 O PRO A 16 -13.892 3.554 7.280 1.00 0.00 O ATOM 40 CB PRO A 16 -13.757 2.862 10.386 1.00 0.00 C ATOM 41 CG PRO A 16 -15.271 2.554 10.304 1.00 0.00 C ATOM 42 CD PRO A 16 -15.971 3.874 9.930 1.00 0.00 C ATOM 0 HA PRO A 16 -12.756 4.781 10.000 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -13.170 2.038 9.979 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -13.443 2.996 11.421 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -15.470 1.785 9.557 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -15.641 2.176 11.257 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -16.663 3.737 9.099 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -16.550 4.268 10.765 1.00 0.00 H new ATOM 50 N ARG A 17 -11.804 3.827 7.905 1.00 0.00 N ATOM 51 CA ARG A 17 -11.306 3.517 6.536 1.00 0.00 C ATOM 52 C ARG A 17 -11.704 4.645 5.581 1.00 0.00 C ATOM 53 O ARG A 17 -12.418 4.437 4.622 1.00 0.00 O ATOM 54 CB ARG A 17 -11.923 2.201 6.057 1.00 0.00 C ATOM 55 CG ARG A 17 -10.883 1.407 5.265 1.00 0.00 C ATOM 56 CD ARG A 17 -10.415 2.233 4.064 1.00 0.00 C ATOM 57 NE ARG A 17 -11.476 2.235 3.019 1.00 0.00 N ATOM 58 CZ ARG A 17 -11.860 1.112 2.476 1.00 0.00 C ATOM 59 NH1 ARG A 17 -10.976 0.290 1.979 1.00 0.00 N ATOM 60 NH2 ARG A 17 -13.129 0.809 2.429 1.00 0.00 N ATOM 0 H ARG A 17 -11.081 4.038 8.593 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.220 3.424 6.555 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.269 1.618 6.910 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.795 2.401 5.434 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.034 1.161 5.903 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.311 0.464 4.926 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.194 3.254 4.375 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.492 1.816 3.660 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.903 3.114 2.727 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.984 0.525 2.015 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.277 -0.587 1.555 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.821 1.450 2.817 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.428 -0.069 2.004 1.00 0.00 H new ATOM 74 N GLY A 18 -11.247 5.840 5.839 1.00 0.00 N ATOM 75 CA GLY A 18 -11.598 6.982 4.950 1.00 0.00 C ATOM 76 C GLY A 18 -10.734 8.191 5.310 1.00 0.00 C ATOM 77 O GLY A 18 -11.215 9.300 5.422 1.00 0.00 O ATOM 0 H GLY A 18 -10.645 6.074 6.628 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.441 6.707 3.907 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.654 7.230 5.059 1.00 0.00 H new ATOM 81 N SER A 19 -9.459 7.983 5.495 1.00 0.00 N ATOM 82 CA SER A 19 -8.563 9.120 5.850 1.00 0.00 C ATOM 83 C SER A 19 -7.104 8.702 5.656 1.00 0.00 C ATOM 84 O SER A 19 -6.274 9.486 5.241 1.00 0.00 O ATOM 85 CB SER A 19 -8.791 9.510 7.311 1.00 0.00 C ATOM 86 OG SER A 19 -8.350 10.846 7.515 1.00 0.00 O ATOM 0 H SER A 19 -8.999 7.076 5.416 1.00 0.00 H new ATOM 0 HA SER A 19 -8.785 9.971 5.206 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.848 9.421 7.562 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.249 8.831 7.969 1.00 0.00 H new ATOM 0 HG SER A 19 -8.496 11.100 8.450 1.00 0.00 H new ATOM 92 N ILE A 20 -6.786 7.473 5.953 1.00 0.00 N ATOM 93 CA ILE A 20 -5.380 7.006 5.785 1.00 0.00 C ATOM 94 C ILE A 20 -5.078 6.820 4.300 1.00 0.00 C ATOM 95 O ILE A 20 -4.048 7.236 3.808 1.00 0.00 O ATOM 96 CB ILE A 20 -5.193 5.672 6.512 1.00 0.00 C ATOM 97 CG1 ILE A 20 -6.039 5.656 7.789 1.00 0.00 C ATOM 98 CG2 ILE A 20 -3.718 5.496 6.878 1.00 0.00 C ATOM 99 CD1 ILE A 20 -5.869 6.980 8.537 1.00 0.00 C ATOM 0 H ILE A 20 -7.438 6.772 6.305 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.701 7.748 6.205 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.509 4.858 5.860 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.089 5.500 7.539 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.736 4.825 8.427 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.582 4.547 7.396 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.114 5.504 5.970 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.405 6.312 7.529 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.472 6.965 9.445 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.820 7.117 8.800 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.193 7.802 7.899 1.00 0.00 H new ATOM 111 N ASP A 21 -5.971 6.201 3.584 1.00 0.00 N ATOM 112 CA ASP A 21 -5.742 5.988 2.128 1.00 0.00 C ATOM 113 C ASP A 21 -5.829 7.331 1.400 1.00 0.00 C ATOM 114 O ASP A 21 -5.544 7.431 0.222 1.00 0.00 O ATOM 115 CB ASP A 21 -6.810 5.041 1.580 1.00 0.00 C ATOM 116 CG ASP A 21 -7.091 3.942 2.605 1.00 0.00 C ATOM 117 OD1 ASP A 21 -6.161 3.543 3.286 1.00 0.00 O ATOM 118 OD2 ASP A 21 -8.232 3.518 2.693 1.00 0.00 O ATOM 0 H ASP A 21 -6.851 5.832 3.943 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.755 5.552 1.972 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.724 5.593 1.363 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.474 4.600 0.641 1.00 0.00 H new ATOM 123 N LYS A 22 -6.219 8.366 2.093 1.00 0.00 N ATOM 124 CA LYS A 22 -6.325 9.702 1.446 1.00 0.00 C ATOM 125 C LYS A 22 -5.001 10.453 1.602 1.00 0.00 C ATOM 126 O LYS A 22 -4.853 11.570 1.149 1.00 0.00 O ATOM 127 CB LYS A 22 -7.445 10.500 2.117 1.00 0.00 C ATOM 128 CG LYS A 22 -7.764 11.741 1.281 1.00 0.00 C ATOM 129 CD LYS A 22 -8.667 11.349 0.110 1.00 0.00 C ATOM 130 CE LYS A 22 -9.778 12.388 -0.047 1.00 0.00 C ATOM 131 NZ LYS A 22 -10.420 12.229 -1.383 1.00 0.00 N ATOM 0 H LYS A 22 -6.469 8.343 3.082 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.547 9.577 0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.336 9.880 2.220 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.143 10.794 3.122 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.257 12.492 1.899 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.842 12.189 0.909 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.083 11.284 -0.808 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.098 10.363 0.284 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.520 12.265 0.742 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.368 13.393 0.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.176 12.935 -1.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.708 12.367 -2.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.824 11.274 -1.462 1.00 0.00 H new ATOM 145 N TYR A 23 -4.035 9.851 2.243 1.00 0.00 N ATOM 146 CA TYR A 23 -2.727 10.538 2.425 1.00 0.00 C ATOM 147 C TYR A 23 -1.622 9.499 2.627 1.00 0.00 C ATOM 148 O TYR A 23 -0.736 9.671 3.440 1.00 0.00 O ATOM 149 CB TYR A 23 -2.801 11.450 3.651 1.00 0.00 C ATOM 150 CG TYR A 23 -3.744 12.594 3.366 1.00 0.00 C ATOM 151 CD1 TYR A 23 -3.459 13.492 2.332 1.00 0.00 C ATOM 152 CD2 TYR A 23 -4.903 12.754 4.134 1.00 0.00 C ATOM 153 CE1 TYR A 23 -4.332 14.553 2.065 1.00 0.00 C ATOM 154 CE2 TYR A 23 -5.778 13.815 3.867 1.00 0.00 C ATOM 155 CZ TYR A 23 -5.492 14.714 2.833 1.00 0.00 C ATOM 156 OH TYR A 23 -6.354 15.760 2.569 1.00 0.00 O ATOM 0 H TYR A 23 -4.096 8.916 2.647 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.503 11.132 1.539 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.146 10.886 4.518 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.810 11.833 3.894 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -2.565 13.367 1.739 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.123 12.060 4.932 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.111 15.247 1.267 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.673 13.939 4.459 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.110 15.726 3.192 1.00 0.00 H new ATOM 166 N VAL A 24 -1.663 8.424 1.889 1.00 0.00 N ATOM 167 CA VAL A 24 -0.610 7.379 2.037 1.00 0.00 C ATOM 168 C VAL A 24 0.001 7.078 0.667 1.00 0.00 C ATOM 169 O VAL A 24 -0.514 6.281 -0.091 1.00 0.00 O ATOM 170 CB VAL A 24 -1.232 6.104 2.612 1.00 0.00 C ATOM 171 CG1 VAL A 24 -0.252 4.937 2.455 1.00 0.00 C ATOM 172 CG2 VAL A 24 -1.538 6.310 4.098 1.00 0.00 C ATOM 0 H VAL A 24 -2.379 8.224 1.191 1.00 0.00 H new ATOM 0 HA VAL A 24 0.167 7.737 2.712 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.154 5.880 2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.697 4.030 2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.031 4.787 1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.671 5.162 2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.981 5.402 4.508 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.615 6.536 4.632 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.236 7.139 4.214 1.00 0.00 H new ATOM 182 N LYS A 25 1.098 7.707 0.344 1.00 0.00 N ATOM 183 CA LYS A 25 1.740 7.451 -0.975 1.00 0.00 C ATOM 184 C LYS A 25 2.657 6.233 -0.858 1.00 0.00 C ATOM 185 O LYS A 25 3.668 6.270 -0.190 1.00 0.00 O ATOM 186 CB LYS A 25 2.564 8.673 -1.393 1.00 0.00 C ATOM 187 CG LYS A 25 2.800 8.637 -2.905 1.00 0.00 C ATOM 188 CD LYS A 25 2.163 9.869 -3.552 1.00 0.00 C ATOM 189 CE LYS A 25 2.505 9.898 -5.044 1.00 0.00 C ATOM 190 NZ LYS A 25 2.547 11.311 -5.517 1.00 0.00 N ATOM 0 H LYS A 25 1.576 8.386 0.936 1.00 0.00 H new ATOM 0 HA LYS A 25 0.972 7.263 -1.725 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.041 9.589 -1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.518 8.679 -0.865 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.869 8.614 -3.116 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.372 7.729 -3.329 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.082 9.846 -3.417 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.526 10.776 -3.067 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.468 9.417 -5.217 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.762 9.336 -5.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.779 11.331 -6.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.619 11.755 -5.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.272 11.834 -4.985 1.00 0.00 H new ATOM 204 N GLU A 26 2.306 5.149 -1.495 1.00 0.00 N ATOM 205 CA GLU A 26 3.156 3.928 -1.411 1.00 0.00 C ATOM 206 C GLU A 26 3.757 3.627 -2.784 1.00 0.00 C ATOM 207 O GLU A 26 3.053 3.318 -3.726 1.00 0.00 O ATOM 208 CB GLU A 26 2.302 2.739 -0.959 1.00 0.00 C ATOM 209 CG GLU A 26 1.172 3.231 -0.051 1.00 0.00 C ATOM 210 CD GLU A 26 0.321 2.041 0.397 1.00 0.00 C ATOM 211 OE1 GLU A 26 0.883 0.978 0.600 1.00 0.00 O ATOM 212 OE2 GLU A 26 -0.879 2.214 0.530 1.00 0.00 O ATOM 0 H GLU A 26 1.468 5.056 -2.069 1.00 0.00 H new ATOM 0 HA GLU A 26 3.957 4.096 -0.692 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.887 2.226 -1.827 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.920 2.016 -0.427 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.586 3.743 0.818 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.553 3.954 -0.582 1.00 0.00 H new ATOM 219 N MET A 27 5.054 3.709 -2.908 1.00 0.00 N ATOM 220 CA MET A 27 5.692 3.422 -4.223 1.00 0.00 C ATOM 221 C MET A 27 6.271 2.002 -4.206 1.00 0.00 C ATOM 222 O MET A 27 6.822 1.572 -3.206 1.00 0.00 O ATOM 223 CB MET A 27 6.814 4.430 -4.479 1.00 0.00 C ATOM 224 CG MET A 27 6.333 5.485 -5.477 1.00 0.00 C ATOM 225 SD MET A 27 5.664 6.906 -4.577 1.00 0.00 S ATOM 226 CE MET A 27 3.989 6.258 -4.344 1.00 0.00 C ATOM 0 H MET A 27 5.697 3.962 -2.158 1.00 0.00 H new ATOM 0 HA MET A 27 4.948 3.503 -5.015 1.00 0.00 H new ATOM 0 HB2 MET A 27 7.110 4.906 -3.544 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.694 3.919 -4.869 1.00 0.00 H new ATOM 0 HG2 MET A 27 7.159 5.801 -6.115 1.00 0.00 H new ATOM 0 HG3 MET A 27 5.569 5.062 -6.130 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.267 6.954 -4.771 1.00 0.00 H new ATOM 0 HE2 MET A 27 3.900 5.292 -4.841 1.00 0.00 H new ATOM 0 HE3 MET A 27 3.790 6.138 -3.279 1.00 0.00 H new ATOM 236 N PRO A 28 6.131 1.317 -5.317 1.00 0.00 N ATOM 237 CA PRO A 28 6.622 -0.065 -5.463 1.00 0.00 C ATOM 238 C PRO A 28 8.146 -0.081 -5.553 1.00 0.00 C ATOM 239 O PRO A 28 8.772 -1.118 -5.468 1.00 0.00 O ATOM 240 CB PRO A 28 5.975 -0.547 -6.763 1.00 0.00 C ATOM 241 CG PRO A 28 5.608 0.724 -7.562 1.00 0.00 C ATOM 242 CD PRO A 28 5.490 1.862 -6.532 1.00 0.00 C ATOM 0 HA PRO A 28 6.369 -0.704 -4.617 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.661 -1.177 -7.329 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.088 -1.146 -6.557 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.372 0.950 -8.306 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.670 0.588 -8.100 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.993 2.765 -6.877 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.449 2.127 -6.349 1.00 0.00 H new ATOM 250 N ASP A 29 8.750 1.065 -5.699 1.00 0.00 N ATOM 251 CA ASP A 29 10.232 1.110 -5.765 1.00 0.00 C ATOM 252 C ASP A 29 10.787 1.133 -4.336 1.00 0.00 C ATOM 253 O ASP A 29 11.962 1.348 -4.127 1.00 0.00 O ATOM 254 CB ASP A 29 10.680 2.364 -6.527 1.00 0.00 C ATOM 255 CG ASP A 29 10.550 3.596 -5.627 1.00 0.00 C ATOM 256 OD1 ASP A 29 11.451 3.826 -4.838 1.00 0.00 O ATOM 257 OD2 ASP A 29 9.553 4.289 -5.745 1.00 0.00 O ATOM 0 H ASP A 29 8.281 1.968 -5.775 1.00 0.00 H new ATOM 0 HA ASP A 29 10.609 0.232 -6.290 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.713 2.251 -6.856 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.073 2.492 -7.423 1.00 0.00 H new ATOM 262 N LYS A 30 9.932 0.918 -3.360 1.00 0.00 N ATOM 263 CA LYS A 30 10.356 0.918 -1.936 1.00 0.00 C ATOM 264 C LYS A 30 10.372 2.353 -1.418 1.00 0.00 C ATOM 265 O LYS A 30 11.393 2.863 -1.003 1.00 0.00 O ATOM 266 CB LYS A 30 11.746 0.307 -1.807 1.00 0.00 C ATOM 267 CG LYS A 30 11.805 -1.009 -2.584 1.00 0.00 C ATOM 268 CD LYS A 30 12.185 -2.147 -1.634 1.00 0.00 C ATOM 269 CE LYS A 30 10.918 -2.844 -1.139 1.00 0.00 C ATOM 270 NZ LYS A 30 11.035 -4.312 -1.371 1.00 0.00 N ATOM 0 H LYS A 30 8.938 0.739 -3.503 1.00 0.00 H new ATOM 0 HA LYS A 30 9.655 0.325 -1.349 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.495 1.000 -2.189 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.981 0.131 -0.757 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.839 -1.214 -3.046 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.535 -0.935 -3.390 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.830 -2.862 -2.146 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.751 -1.755 -0.789 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.771 -2.643 -0.078 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.046 -2.451 -1.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.173 -4.786 -1.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.156 -4.494 -2.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.858 -4.681 -0.853 1.00 0.00 H new ATOM 284 N THR A 31 9.245 3.011 -1.439 1.00 0.00 N ATOM 285 CA THR A 31 9.204 4.414 -0.949 1.00 0.00 C ATOM 286 C THR A 31 7.864 4.692 -0.263 1.00 0.00 C ATOM 287 O THR A 31 6.965 3.874 -0.274 1.00 0.00 O ATOM 288 CB THR A 31 9.377 5.366 -2.129 1.00 0.00 C ATOM 289 OG1 THR A 31 10.090 4.708 -3.167 1.00 0.00 O ATOM 290 CG2 THR A 31 10.151 6.605 -1.677 1.00 0.00 C ATOM 0 H THR A 31 8.356 2.638 -1.773 1.00 0.00 H new ATOM 0 HA THR A 31 10.010 4.566 -0.231 1.00 0.00 H new ATOM 0 HB THR A 31 8.398 5.669 -2.499 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.559 4.725 -3.990 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.274 7.285 -2.520 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.600 7.108 -0.883 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.131 6.306 -1.305 1.00 0.00 H new ATOM 298 N PHE A 32 7.726 5.846 0.332 1.00 0.00 N ATOM 299 CA PHE A 32 6.451 6.193 1.019 1.00 0.00 C ATOM 300 C PHE A 32 6.393 7.707 1.220 1.00 0.00 C ATOM 301 O PHE A 32 7.408 8.357 1.369 1.00 0.00 O ATOM 302 CB PHE A 32 6.396 5.495 2.380 1.00 0.00 C ATOM 303 CG PHE A 32 5.610 4.211 2.262 1.00 0.00 C ATOM 304 CD1 PHE A 32 4.214 4.233 2.363 1.00 0.00 C ATOM 305 CD2 PHE A 32 6.277 2.999 2.053 1.00 0.00 C ATOM 306 CE1 PHE A 32 3.485 3.042 2.256 1.00 0.00 C ATOM 307 CE2 PHE A 32 5.549 1.808 1.945 1.00 0.00 C ATOM 308 CZ PHE A 32 4.153 1.830 2.048 1.00 0.00 C ATOM 0 H PHE A 32 8.447 6.567 0.371 1.00 0.00 H new ATOM 0 HA PHE A 32 5.605 5.867 0.414 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.406 5.284 2.732 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.932 6.150 3.117 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.699 5.169 2.523 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.354 2.982 1.975 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.408 3.059 2.334 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.064 0.873 1.782 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.591 0.911 1.967 1.00 0.00 H new ATOM 318 N GLU A 33 5.221 8.283 1.224 1.00 0.00 N ATOM 319 CA GLU A 33 5.132 9.759 1.412 1.00 0.00 C ATOM 320 C GLU A 33 3.767 10.140 1.993 1.00 0.00 C ATOM 321 O GLU A 33 2.769 10.159 1.302 1.00 0.00 O ATOM 322 CB GLU A 33 5.321 10.455 0.063 1.00 0.00 C ATOM 323 CG GLU A 33 5.814 11.886 0.294 1.00 0.00 C ATOM 324 CD GLU A 33 5.273 12.797 -0.810 1.00 0.00 C ATOM 325 OE1 GLU A 33 4.079 12.755 -1.054 1.00 0.00 O ATOM 326 OE2 GLU A 33 6.063 13.523 -1.391 1.00 0.00 O ATOM 0 H GLU A 33 4.330 7.801 1.106 1.00 0.00 H new ATOM 0 HA GLU A 33 5.912 10.075 2.105 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.039 9.905 -0.545 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.380 10.467 -0.487 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.483 12.243 1.269 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.904 11.910 0.299 1.00 0.00 H new ATOM 333 N CYS A 34 3.725 10.461 3.258 1.00 0.00 N ATOM 334 CA CYS A 34 2.436 10.865 3.889 1.00 0.00 C ATOM 335 C CYS A 34 1.931 12.133 3.194 1.00 0.00 C ATOM 336 O CYS A 34 2.454 13.211 3.397 1.00 0.00 O ATOM 337 CB CYS A 34 2.683 11.145 5.372 1.00 0.00 C ATOM 338 SG CYS A 34 1.114 11.369 6.249 1.00 0.00 S ATOM 0 H CYS A 34 4.531 10.461 3.883 1.00 0.00 H new ATOM 0 HA CYS A 34 1.692 10.074 3.790 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.239 10.319 5.816 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.298 12.038 5.481 1.00 0.00 H new ATOM 343 N LEU A 35 0.935 12.011 2.359 1.00 0.00 N ATOM 344 CA LEU A 35 0.421 13.208 1.634 1.00 0.00 C ATOM 345 C LEU A 35 -0.450 14.067 2.556 1.00 0.00 C ATOM 346 O LEU A 35 -1.065 15.020 2.120 1.00 0.00 O ATOM 347 CB LEU A 35 -0.404 12.756 0.428 1.00 0.00 C ATOM 348 CG LEU A 35 0.375 11.698 -0.355 1.00 0.00 C ATOM 349 CD1 LEU A 35 -0.294 10.334 -0.175 1.00 0.00 C ATOM 350 CD2 LEU A 35 0.387 12.069 -1.839 1.00 0.00 C ATOM 0 H LEU A 35 0.456 11.136 2.148 1.00 0.00 H new ATOM 0 HA LEU A 35 1.269 13.806 1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.359 12.349 0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.627 13.608 -0.214 1.00 0.00 H new ATOM 0 HG LEU A 35 1.399 11.651 0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.261 9.580 -0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.303 10.070 0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.318 10.379 -0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.942 11.316 -2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.637 12.116 -2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.864 13.041 -1.967 1.00 0.00 H new ATOM 362 N PHE A 36 -0.510 13.757 3.823 1.00 0.00 N ATOM 363 CA PHE A 36 -1.345 14.586 4.739 1.00 0.00 C ATOM 364 C PHE A 36 -0.903 16.049 4.626 1.00 0.00 C ATOM 365 O PHE A 36 0.273 16.326 4.501 1.00 0.00 O ATOM 366 CB PHE A 36 -1.152 14.106 6.179 1.00 0.00 C ATOM 367 CG PHE A 36 -1.948 14.982 7.117 1.00 0.00 C ATOM 368 CD1 PHE A 36 -1.455 16.236 7.500 1.00 0.00 C ATOM 369 CD2 PHE A 36 -3.180 14.537 7.607 1.00 0.00 C ATOM 370 CE1 PHE A 36 -2.195 17.042 8.373 1.00 0.00 C ATOM 371 CE2 PHE A 36 -3.920 15.343 8.480 1.00 0.00 C ATOM 372 CZ PHE A 36 -3.428 16.595 8.863 1.00 0.00 C ATOM 0 H PHE A 36 -0.023 12.975 4.260 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.396 14.494 4.466 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.474 13.069 6.273 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.095 14.137 6.445 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.504 16.581 7.122 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.561 13.571 7.312 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.815 18.009 8.669 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.871 14.998 8.858 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.999 17.217 9.537 1.00 0.00 H new ATOM 382 N PRO A 37 -1.857 16.944 4.672 1.00 0.00 N ATOM 383 CA PRO A 37 -1.584 18.388 4.574 1.00 0.00 C ATOM 384 C PRO A 37 -1.019 18.911 5.892 1.00 0.00 C ATOM 385 O PRO A 37 -1.722 19.066 6.869 1.00 0.00 O ATOM 386 CB PRO A 37 -2.956 18.995 4.268 1.00 0.00 C ATOM 387 CG PRO A 37 -4.004 17.968 4.759 1.00 0.00 C ATOM 388 CD PRO A 37 -3.286 16.606 4.829 1.00 0.00 C ATOM 0 HA PRO A 37 -0.844 18.639 3.814 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.080 19.951 4.777 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.068 19.185 3.201 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.395 18.251 5.736 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.853 17.924 4.077 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.475 16.104 5.778 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.626 15.935 4.040 1.00 0.00 H new ATOM 396 N GLY A 38 0.255 19.165 5.921 1.00 0.00 N ATOM 397 CA GLY A 38 0.898 19.656 7.168 1.00 0.00 C ATOM 398 C GLY A 38 1.984 18.659 7.563 1.00 0.00 C ATOM 399 O GLY A 38 2.878 18.962 8.328 1.00 0.00 O ATOM 0 H GLY A 38 0.885 19.053 5.127 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.328 20.645 7.011 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.160 19.752 7.965 1.00 0.00 H new ATOM 403 N CYS A 39 1.910 17.467 7.033 1.00 0.00 N ATOM 404 CA CYS A 39 2.935 16.437 7.359 1.00 0.00 C ATOM 405 C CYS A 39 4.244 16.778 6.645 1.00 0.00 C ATOM 406 O CYS A 39 4.277 17.600 5.750 1.00 0.00 O ATOM 407 CB CYS A 39 2.444 15.071 6.881 1.00 0.00 C ATOM 408 SG CYS A 39 3.468 13.767 7.605 1.00 0.00 S ATOM 0 H CYS A 39 1.182 17.163 6.387 1.00 0.00 H new ATOM 0 HA CYS A 39 3.101 16.415 8.436 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.402 14.928 7.166 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.487 15.019 5.793 1.00 0.00 H new ATOM 413 N THR A 40 5.322 16.150 7.026 1.00 0.00 N ATOM 414 CA THR A 40 6.622 16.437 6.361 1.00 0.00 C ATOM 415 C THR A 40 7.600 15.296 6.640 1.00 0.00 C ATOM 416 O THR A 40 8.794 15.501 6.745 1.00 0.00 O ATOM 417 CB THR A 40 7.195 17.747 6.905 1.00 0.00 C ATOM 418 OG1 THR A 40 6.172 18.732 6.937 1.00 0.00 O ATOM 419 CG2 THR A 40 8.334 18.220 6.001 1.00 0.00 C ATOM 0 H THR A 40 5.358 15.451 7.768 1.00 0.00 H new ATOM 0 HA THR A 40 6.468 16.528 5.286 1.00 0.00 H new ATOM 0 HB THR A 40 7.577 17.587 7.913 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.543 18.574 6.202 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.742 19.153 6.388 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.118 17.463 5.977 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.955 18.381 4.992 1.00 0.00 H new ATOM 427 N LYS A 41 7.108 14.093 6.762 1.00 0.00 N ATOM 428 CA LYS A 41 8.018 12.945 7.037 1.00 0.00 C ATOM 429 C LYS A 41 7.681 11.780 6.101 1.00 0.00 C ATOM 430 O LYS A 41 6.735 11.052 6.318 1.00 0.00 O ATOM 431 CB LYS A 41 7.848 12.494 8.489 1.00 0.00 C ATOM 432 CG LYS A 41 9.171 12.673 9.238 1.00 0.00 C ATOM 433 CD LYS A 41 8.956 12.393 10.727 1.00 0.00 C ATOM 434 CE LYS A 41 8.322 11.013 10.901 1.00 0.00 C ATOM 435 NZ LYS A 41 7.993 10.795 12.338 1.00 0.00 N ATOM 0 H LYS A 41 6.119 13.856 6.683 1.00 0.00 H new ATOM 0 HA LYS A 41 9.049 13.257 6.869 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.063 13.076 8.972 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.537 11.450 8.523 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.924 11.996 8.835 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.546 13.687 9.098 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.907 12.437 11.257 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.313 13.158 11.162 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.419 10.937 10.295 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.007 10.240 10.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.562 9.856 12.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.863 10.851 12.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.325 11.526 12.656 1.00 0.00 H new ATOM 449 N THR A 42 8.457 11.595 5.067 1.00 0.00 N ATOM 450 CA THR A 42 8.187 10.471 4.125 1.00 0.00 C ATOM 451 C THR A 42 8.997 9.248 4.560 1.00 0.00 C ATOM 452 O THR A 42 9.934 9.359 5.326 1.00 0.00 O ATOM 453 CB THR A 42 8.594 10.879 2.710 1.00 0.00 C ATOM 454 OG1 THR A 42 10.003 10.768 2.571 1.00 0.00 O ATOM 455 CG2 THR A 42 8.163 12.322 2.446 1.00 0.00 C ATOM 0 H THR A 42 9.265 12.173 4.834 1.00 0.00 H new ATOM 0 HA THR A 42 7.124 10.230 4.136 1.00 0.00 H new ATOM 0 HB THR A 42 8.107 10.222 1.990 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.264 11.028 1.663 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.455 12.610 1.436 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.081 12.403 2.548 1.00 0.00 H new ATOM 0 HG23 THR A 42 8.646 12.983 3.165 1.00 0.00 H new ATOM 463 N PHE A 43 8.649 8.084 4.085 1.00 0.00 N ATOM 464 CA PHE A 43 9.410 6.866 4.488 1.00 0.00 C ATOM 465 C PHE A 43 9.669 5.996 3.257 1.00 0.00 C ATOM 466 O PHE A 43 9.533 6.438 2.134 1.00 0.00 O ATOM 467 CB PHE A 43 8.601 6.069 5.516 1.00 0.00 C ATOM 468 CG PHE A 43 7.714 7.007 6.304 1.00 0.00 C ATOM 469 CD1 PHE A 43 6.567 7.545 5.709 1.00 0.00 C ATOM 470 CD2 PHE A 43 8.037 7.336 7.626 1.00 0.00 C ATOM 471 CE1 PHE A 43 5.743 8.412 6.435 1.00 0.00 C ATOM 472 CE2 PHE A 43 7.213 8.204 8.352 1.00 0.00 C ATOM 473 CZ PHE A 43 6.065 8.742 7.756 1.00 0.00 C ATOM 0 H PHE A 43 7.876 7.923 3.439 1.00 0.00 H new ATOM 0 HA PHE A 43 10.361 7.164 4.930 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.994 5.317 5.012 1.00 0.00 H new ATOM 0 HB3 PHE A 43 9.273 5.537 6.189 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.318 7.291 4.689 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.922 6.920 8.085 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.858 8.827 5.975 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.462 8.459 9.371 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.429 9.411 8.316 1.00 0.00 H new ATOM 483 N LYS A 44 10.045 4.764 3.459 1.00 0.00 N ATOM 484 CA LYS A 44 10.312 3.870 2.298 1.00 0.00 C ATOM 485 C LYS A 44 10.132 2.412 2.724 1.00 0.00 C ATOM 486 O LYS A 44 10.564 2.009 3.786 1.00 0.00 O ATOM 487 CB LYS A 44 11.745 4.086 1.808 1.00 0.00 C ATOM 488 CG LYS A 44 12.722 3.809 2.953 1.00 0.00 C ATOM 489 CD LYS A 44 14.152 4.084 2.485 1.00 0.00 C ATOM 490 CE LYS A 44 14.470 3.211 1.270 1.00 0.00 C ATOM 491 NZ LYS A 44 15.755 2.492 1.498 1.00 0.00 N ATOM 0 H LYS A 44 10.179 4.338 4.376 1.00 0.00 H new ATOM 0 HA LYS A 44 9.614 4.101 1.493 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.957 3.426 0.967 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.868 5.108 1.450 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.482 4.438 3.810 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.629 2.774 3.282 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.265 5.137 2.229 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.856 3.874 3.290 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.665 2.495 1.102 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.540 3.828 0.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.972 1.898 0.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.519 3.183 1.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.672 1.892 2.343 1.00 0.00 H new ATOM 505 N ARG A 45 9.495 1.621 1.901 1.00 0.00 N ATOM 506 CA ARG A 45 9.277 0.186 2.246 1.00 0.00 C ATOM 507 C ARG A 45 8.925 0.059 3.728 1.00 0.00 C ATOM 508 O ARG A 45 9.758 -0.273 4.549 1.00 0.00 O ATOM 509 CB ARG A 45 10.546 -0.619 1.946 1.00 0.00 C ATOM 510 CG ARG A 45 11.759 0.066 2.576 1.00 0.00 C ATOM 511 CD ARG A 45 13.004 -0.796 2.353 1.00 0.00 C ATOM 512 NE ARG A 45 13.839 -0.794 3.587 1.00 0.00 N ATOM 513 CZ ARG A 45 14.838 -1.625 3.699 1.00 0.00 C ATOM 514 NH1 ARG A 45 15.851 -1.542 2.880 1.00 0.00 N ATOM 515 NH2 ARG A 45 14.826 -2.540 4.631 1.00 0.00 N ATOM 0 H ARG A 45 9.114 1.910 1.000 1.00 0.00 H new ATOM 0 HA ARG A 45 8.455 -0.205 1.646 1.00 0.00 H new ATOM 0 HB2 ARG A 45 10.446 -1.631 2.337 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.686 -0.706 0.868 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.903 1.052 2.135 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.593 0.215 3.643 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.713 -1.815 2.100 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.580 -0.411 1.511 1.00 0.00 H new ATOM 0 HE ARG A 45 13.629 -0.143 4.344 1.00 0.00 H new ATOM 0 HH11 ARG A 45 15.861 -0.827 2.152 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.632 -2.192 2.968 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.035 -2.605 5.272 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.608 -3.190 4.718 1.00 0.00 H new ATOM 529 N ARG A 46 7.696 0.321 4.080 1.00 0.00 N ATOM 530 CA ARG A 46 7.292 0.216 5.509 1.00 0.00 C ATOM 531 C ARG A 46 5.800 0.526 5.644 1.00 0.00 C ATOM 532 O ARG A 46 5.325 1.551 5.197 1.00 0.00 O ATOM 533 CB ARG A 46 8.097 1.216 6.342 1.00 0.00 C ATOM 534 CG ARG A 46 8.142 0.746 7.798 1.00 0.00 C ATOM 535 CD ARG A 46 9.598 0.590 8.240 1.00 0.00 C ATOM 536 NE ARG A 46 9.942 1.669 9.209 1.00 0.00 N ATOM 537 CZ ARG A 46 11.191 1.969 9.436 1.00 0.00 C ATOM 538 NH1 ARG A 46 12.133 1.116 9.136 1.00 0.00 N ATOM 539 NH2 ARG A 46 11.501 3.122 9.965 1.00 0.00 N ATOM 0 H ARG A 46 6.955 0.603 3.439 1.00 0.00 H new ATOM 0 HA ARG A 46 7.486 -0.795 5.866 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.109 1.305 5.946 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.643 2.205 6.282 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.631 1.465 8.439 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.616 -0.203 7.901 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.747 -0.387 8.700 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.259 0.639 7.375 1.00 0.00 H new ATOM 0 HE ARG A 46 9.200 2.173 9.695 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.892 0.215 8.724 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.109 1.351 9.314 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.766 3.789 10.201 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.478 3.356 10.142 1.00 0.00 H new ATOM 553 N TYR A 47 5.057 -0.352 6.262 1.00 0.00 N ATOM 554 CA TYR A 47 3.596 -0.107 6.433 1.00 0.00 C ATOM 555 C TYR A 47 3.356 0.405 7.846 1.00 0.00 C ATOM 556 O TYR A 47 2.246 0.395 8.342 1.00 0.00 O ATOM 557 CB TYR A 47 2.796 -1.406 6.246 1.00 0.00 C ATOM 558 CG TYR A 47 3.725 -2.566 5.985 1.00 0.00 C ATOM 559 CD1 TYR A 47 4.475 -2.608 4.808 1.00 0.00 C ATOM 560 CD2 TYR A 47 3.833 -3.597 6.925 1.00 0.00 C ATOM 561 CE1 TYR A 47 5.337 -3.685 4.565 1.00 0.00 C ATOM 562 CE2 TYR A 47 4.694 -4.674 6.686 1.00 0.00 C ATOM 563 CZ TYR A 47 5.446 -4.718 5.505 1.00 0.00 C ATOM 564 OH TYR A 47 6.295 -5.781 5.266 1.00 0.00 O ATOM 0 H TYR A 47 5.399 -1.229 6.656 1.00 0.00 H new ATOM 0 HA TYR A 47 3.271 0.618 5.687 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.199 -1.604 7.136 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.101 -1.295 5.414 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.390 -1.810 4.085 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.252 -3.562 7.835 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.917 -3.719 3.654 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.779 -5.470 7.411 1.00 0.00 H new ATOM 0 HH TYR A 47 6.253 -6.409 6.017 1.00 0.00 H new ATOM 574 N ASN A 48 4.386 0.848 8.503 1.00 0.00 N ATOM 575 CA ASN A 48 4.211 1.353 9.883 1.00 0.00 C ATOM 576 C ASN A 48 3.892 2.844 9.824 1.00 0.00 C ATOM 577 O ASN A 48 3.299 3.405 10.725 1.00 0.00 O ATOM 578 CB ASN A 48 5.496 1.129 10.683 1.00 0.00 C ATOM 579 CG ASN A 48 5.395 -0.189 11.453 1.00 0.00 C ATOM 580 OD1 ASN A 48 4.586 -0.322 12.349 1.00 0.00 O ATOM 581 ND2 ASN A 48 6.187 -1.177 11.138 1.00 0.00 N ATOM 0 H ASN A 48 5.340 0.881 8.143 1.00 0.00 H new ATOM 0 HA ASN A 48 3.395 0.820 10.371 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.355 1.106 10.012 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.655 1.956 11.375 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.126 -2.060 11.644 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.867 -1.066 10.386 1.00 0.00 H new ATOM 588 N ILE A 49 4.270 3.490 8.755 1.00 0.00 N ATOM 589 CA ILE A 49 3.970 4.942 8.637 1.00 0.00 C ATOM 590 C ILE A 49 2.449 5.101 8.630 1.00 0.00 C ATOM 591 O ILE A 49 1.914 6.090 9.089 1.00 0.00 O ATOM 592 CB ILE A 49 4.611 5.545 7.358 1.00 0.00 C ATOM 593 CG1 ILE A 49 3.582 5.686 6.226 1.00 0.00 C ATOM 594 CG2 ILE A 49 5.758 4.656 6.871 1.00 0.00 C ATOM 595 CD1 ILE A 49 3.231 4.310 5.669 1.00 0.00 C ATOM 0 H ILE A 49 4.769 3.079 7.966 1.00 0.00 H new ATOM 0 HA ILE A 49 4.397 5.486 9.479 1.00 0.00 H new ATOM 0 HB ILE A 49 4.987 6.534 7.619 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.683 6.177 6.599 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.984 6.317 5.433 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.199 5.090 5.974 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.517 4.583 7.649 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.376 3.661 6.643 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.501 4.418 4.867 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.131 3.835 5.279 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.810 3.693 6.463 1.00 0.00 H new ATOM 607 N ARG A 50 1.748 4.118 8.127 1.00 0.00 N ATOM 608 CA ARG A 50 0.263 4.201 8.115 1.00 0.00 C ATOM 609 C ARG A 50 -0.211 4.462 9.542 1.00 0.00 C ATOM 610 O ARG A 50 -1.149 5.197 9.775 1.00 0.00 O ATOM 611 CB ARG A 50 -0.325 2.882 7.609 1.00 0.00 C ATOM 612 CG ARG A 50 -0.356 2.889 6.079 1.00 0.00 C ATOM 613 CD ARG A 50 0.349 1.640 5.548 1.00 0.00 C ATOM 614 NE ARG A 50 -0.644 0.540 5.383 1.00 0.00 N ATOM 615 CZ ARG A 50 -0.429 -0.620 5.940 1.00 0.00 C ATOM 616 NH1 ARG A 50 0.024 -0.684 7.161 1.00 0.00 N ATOM 617 NH2 ARG A 50 -0.669 -1.718 5.274 1.00 0.00 N ATOM 0 H ARG A 50 2.140 3.266 7.726 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.064 5.005 7.456 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.273 2.044 7.967 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.332 2.746 8.003 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.387 2.915 5.726 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.134 3.785 5.699 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.828 1.858 4.593 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.136 1.333 6.237 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.490 0.694 4.835 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.211 0.173 7.681 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.192 -1.591 7.596 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.024 -1.668 4.319 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.501 -2.625 5.709 1.00 0.00 H new ATOM 631 N SER A 51 0.452 3.880 10.504 1.00 0.00 N ATOM 632 CA SER A 51 0.062 4.115 11.918 1.00 0.00 C ATOM 633 C SER A 51 0.504 5.524 12.298 1.00 0.00 C ATOM 634 O SER A 51 -0.142 6.209 13.066 1.00 0.00 O ATOM 635 CB SER A 51 0.758 3.097 12.824 1.00 0.00 C ATOM 636 OG SER A 51 0.110 3.077 14.090 1.00 0.00 O ATOM 0 H SER A 51 1.245 3.253 10.370 1.00 0.00 H new ATOM 0 HA SER A 51 -1.016 4.007 12.036 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.726 2.107 12.370 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.809 3.358 12.944 1.00 0.00 H new ATOM 0 HG SER A 51 0.552 2.425 14.673 1.00 0.00 H new ATOM 642 N HIS A 52 1.602 5.964 11.746 1.00 0.00 N ATOM 643 CA HIS A 52 2.095 7.334 12.050 1.00 0.00 C ATOM 644 C HIS A 52 0.995 8.335 11.703 1.00 0.00 C ATOM 645 O HIS A 52 0.734 9.266 12.438 1.00 0.00 O ATOM 646 CB HIS A 52 3.380 7.606 11.228 1.00 0.00 C ATOM 647 CG HIS A 52 3.343 8.979 10.597 1.00 0.00 C ATOM 648 ND1 HIS A 52 4.233 9.982 10.949 1.00 0.00 N ATOM 649 CD2 HIS A 52 2.500 9.540 9.667 1.00 0.00 C ATOM 650 CE1 HIS A 52 3.902 11.082 10.248 1.00 0.00 C ATOM 651 NE2 HIS A 52 2.850 10.867 9.453 1.00 0.00 N ATOM 0 H HIS A 52 2.179 5.431 11.096 1.00 0.00 H new ATOM 0 HA HIS A 52 2.339 7.433 13.108 1.00 0.00 H new ATOM 0 HB2 HIS A 52 4.253 7.523 11.875 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.486 6.848 10.451 1.00 0.00 H new ATOM 0 HD1 HIS A 52 4.999 9.901 11.618 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.687 9.026 9.176 1.00 0.00 H new ATOM 0 HE1 HIS A 52 4.424 12.025 10.319 1.00 0.00 H new ATOM 659 N ILE A 53 0.342 8.149 10.597 1.00 0.00 N ATOM 660 CA ILE A 53 -0.742 9.100 10.237 1.00 0.00 C ATOM 661 C ILE A 53 -1.904 8.859 11.184 1.00 0.00 C ATOM 662 O ILE A 53 -2.465 9.773 11.732 1.00 0.00 O ATOM 663 CB ILE A 53 -1.220 8.915 8.783 1.00 0.00 C ATOM 664 CG1 ILE A 53 -0.461 7.780 8.086 1.00 0.00 C ATOM 665 CG2 ILE A 53 -0.991 10.212 8.010 1.00 0.00 C ATOM 666 CD1 ILE A 53 -0.915 7.683 6.629 1.00 0.00 C ATOM 0 H ILE A 53 0.506 7.392 9.933 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.359 10.117 10.322 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.280 8.661 8.803 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.612 7.964 8.132 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.645 6.836 8.599 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.327 10.086 6.981 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.553 11.019 8.480 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.071 10.457 8.017 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.376 6.876 6.133 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.985 7.479 6.594 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.708 8.624 6.120 1.00 0.00 H new ATOM 678 N GLN A 54 -2.264 7.631 11.390 1.00 0.00 N ATOM 679 CA GLN A 54 -3.394 7.341 12.309 1.00 0.00 C ATOM 680 C GLN A 54 -3.234 8.136 13.601 1.00 0.00 C ATOM 681 O GLN A 54 -4.206 8.462 14.252 1.00 0.00 O ATOM 682 CB GLN A 54 -3.434 5.844 12.626 1.00 0.00 C ATOM 683 CG GLN A 54 -4.744 5.247 12.109 1.00 0.00 C ATOM 684 CD GLN A 54 -4.492 4.550 10.771 1.00 0.00 C ATOM 685 OE1 GLN A 54 -5.038 3.497 10.510 1.00 0.00 O ATOM 686 NE2 GLN A 54 -3.680 5.096 9.909 1.00 0.00 N ATOM 0 H GLN A 54 -1.827 6.814 10.964 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.327 7.632 11.825 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.585 5.341 12.163 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.350 5.687 13.701 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.143 4.536 12.832 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.491 6.031 11.988 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.222 5.980 10.129 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.503 4.639 9.015 1.00 0.00 H new ATOM 695 N THR A 55 -2.033 8.464 13.990 1.00 0.00 N ATOM 696 CA THR A 55 -1.889 9.246 15.244 1.00 0.00 C ATOM 697 C THR A 55 -2.099 10.727 14.929 1.00 0.00 C ATOM 698 O THR A 55 -2.826 11.419 15.613 1.00 0.00 O ATOM 699 CB THR A 55 -0.503 8.995 15.871 1.00 0.00 C ATOM 700 OG1 THR A 55 -0.620 9.027 17.286 1.00 0.00 O ATOM 701 CG2 THR A 55 0.504 10.061 15.422 1.00 0.00 C ATOM 0 H THR A 55 -1.166 8.230 13.506 1.00 0.00 H new ATOM 0 HA THR A 55 -2.638 8.931 15.970 1.00 0.00 H new ATOM 0 HB THR A 55 -0.143 8.020 15.542 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.258 8.866 17.691 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.473 9.861 15.878 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.602 10.035 14.337 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.154 11.046 15.731 1.00 0.00 H new ATOM 709 N HIS A 56 -1.484 11.212 13.890 1.00 0.00 N ATOM 710 CA HIS A 56 -1.666 12.632 13.525 1.00 0.00 C ATOM 711 C HIS A 56 -2.695 12.716 12.402 1.00 0.00 C ATOM 712 O HIS A 56 -2.706 13.630 11.602 1.00 0.00 O ATOM 713 CB HIS A 56 -0.306 13.221 13.132 1.00 0.00 C ATOM 714 CG HIS A 56 -0.084 13.300 11.641 1.00 0.00 C ATOM 715 ND1 HIS A 56 -0.507 14.383 10.881 1.00 0.00 N ATOM 716 CD2 HIS A 56 0.673 12.530 10.800 1.00 0.00 C ATOM 717 CE1 HIS A 56 0.027 14.243 9.649 1.00 0.00 C ATOM 718 NE2 HIS A 56 0.759 13.130 9.548 1.00 0.00 N ATOM 0 H HIS A 56 -0.863 10.681 13.279 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.043 13.219 14.363 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.217 14.221 13.557 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.484 12.615 13.576 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -1.110 15.143 11.196 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.136 11.592 11.069 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.120 14.946 8.842 1.00 0.00 H new ATOM 726 N LEU A 57 -3.568 11.742 12.358 1.00 0.00 N ATOM 727 CA LEU A 57 -4.624 11.709 11.316 1.00 0.00 C ATOM 728 C LEU A 57 -5.912 11.114 11.906 1.00 0.00 C ATOM 729 O LEU A 57 -6.988 11.310 11.377 1.00 0.00 O ATOM 730 CB LEU A 57 -4.146 10.842 10.147 1.00 0.00 C ATOM 731 CG LEU A 57 -4.992 11.112 8.903 1.00 0.00 C ATOM 732 CD1 LEU A 57 -5.153 12.619 8.708 1.00 0.00 C ATOM 733 CD2 LEU A 57 -4.288 10.514 7.683 1.00 0.00 C ATOM 0 H LEU A 57 -3.589 10.960 13.012 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.826 12.721 10.965 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.098 11.053 9.935 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.211 9.788 10.417 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.976 10.658 9.023 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.757 12.809 7.820 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.646 13.048 9.580 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.172 13.077 8.584 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.885 10.702 6.790 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.307 10.974 7.567 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.170 9.439 7.821 1.00 0.00 H new ATOM 745 N GLU A 58 -5.822 10.387 12.998 1.00 0.00 N ATOM 746 CA GLU A 58 -7.047 9.794 13.597 1.00 0.00 C ATOM 747 C GLU A 58 -7.176 10.245 15.053 1.00 0.00 C ATOM 748 O GLU A 58 -6.996 9.469 15.970 1.00 0.00 O ATOM 749 CB GLU A 58 -6.950 8.268 13.547 1.00 0.00 C ATOM 750 CG GLU A 58 -8.341 7.677 13.301 1.00 0.00 C ATOM 751 CD GLU A 58 -8.309 6.168 13.553 1.00 0.00 C ATOM 752 OE1 GLU A 58 -7.279 5.683 13.991 1.00 0.00 O ATOM 753 OE2 GLU A 58 -9.315 5.525 13.304 1.00 0.00 O ATOM 0 H GLU A 58 -4.954 10.184 13.493 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.921 10.125 13.035 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.267 7.962 12.754 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.542 7.888 14.483 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.070 8.150 13.959 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.657 7.878 12.277 1.00 0.00 H new ATOM 760 N ASP A 59 -7.490 11.492 15.274 1.00 0.00 N ATOM 761 CA ASP A 59 -7.631 11.984 16.674 1.00 0.00 C ATOM 762 C ASP A 59 -8.645 11.112 17.419 1.00 0.00 C ATOM 763 O ASP A 59 -8.374 10.604 18.488 1.00 0.00 O ATOM 764 CB ASP A 59 -8.118 13.435 16.658 1.00 0.00 C ATOM 765 CG ASP A 59 -7.235 14.282 17.575 1.00 0.00 C ATOM 766 OD1 ASP A 59 -6.636 13.716 18.475 1.00 0.00 O ATOM 767 OD2 ASP A 59 -7.172 15.482 17.363 1.00 0.00 O ATOM 0 H ASP A 59 -7.655 12.190 14.548 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.666 11.931 17.178 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.087 13.828 15.642 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.156 13.485 16.988 1.00 0.00 H new ATOM 772 N ARG A 60 -9.811 10.935 16.861 1.00 0.00 N ATOM 773 CA ARG A 60 -10.841 10.094 17.534 1.00 0.00 C ATOM 774 C ARG A 60 -11.360 10.820 18.777 1.00 0.00 C ATOM 775 O ARG A 60 -11.880 10.150 19.656 1.00 0.00 O ATOM 776 CB ARG A 60 -10.220 8.758 17.946 1.00 0.00 C ATOM 777 CG ARG A 60 -11.332 7.747 18.234 1.00 0.00 C ATOM 778 CD ARG A 60 -10.860 6.344 17.850 1.00 0.00 C ATOM 779 NE ARG A 60 -11.864 5.342 18.304 1.00 0.00 N ATOM 780 CZ ARG A 60 -12.869 5.028 17.532 1.00 0.00 C ATOM 781 NH1 ARG A 60 -12.651 4.552 16.336 1.00 0.00 N ATOM 782 NH2 ARG A 60 -14.092 5.190 17.956 1.00 0.00 N ATOM 783 OXT ARG A 60 -11.230 12.032 18.830 1.00 0.00 O ATOM 0 H ARG A 60 -10.095 11.337 15.968 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.668 9.914 16.847 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.572 8.386 17.153 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.597 8.891 18.830 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.599 7.776 19.290 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.229 8.007 17.671 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.725 6.277 16.770 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.892 6.137 18.306 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.766 4.901 19.218 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.695 4.425 16.004 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.437 4.307 15.734 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -14.263 5.562 18.890 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.877 4.945 17.353 1.00 0.00 H new TER 797 ARG A 60 HETATM 798 ZN ZN A 61 1.939 12.179 8.242 1.00 0.00 ZN