USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=13 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 40 THR OG1 : rot 180:sc= -0.332 USER MOD Set 1.2: A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 25 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.000149) USER MOD Set 2.2: A 27 MET CE :methyl -118:sc= -0.0624 (180deg=-0.431) USER MOD Set 3.1: A 22 LYS NZ :NH3+ 139:sc= 0.614 (180deg=-0.15) USER MOD Set 3.2: A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -27:sc= 0.51 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.169) USER MOD Single : A 31 THR OG1 : rot -173:sc= -2.21! 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= -1.31 K(o=-1.3,f=-0.27) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -8! K(o=-8!,f=-2.1) USER MOD Single : A 55 THR OG1 : rot 75:sc= 1.31 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -18.074 5.538 13.282 1.00 0.00 N ATOM 2 CA THR A 14 -18.484 4.182 12.817 1.00 0.00 C ATOM 3 C THR A 14 -17.364 3.580 11.965 1.00 0.00 C ATOM 4 O THR A 14 -17.563 3.231 10.819 1.00 0.00 O ATOM 5 CB THR A 14 -19.758 4.293 11.976 1.00 0.00 C ATOM 6 OG1 THR A 14 -19.675 5.441 11.142 1.00 0.00 O ATOM 7 CG2 THR A 14 -20.973 4.418 12.898 1.00 0.00 C ATOM 0 HA THR A 14 -18.673 3.543 13.679 1.00 0.00 H new ATOM 0 HB THR A 14 -19.864 3.401 11.359 1.00 0.00 H new ATOM 0 HG1 THR A 14 -19.089 6.107 11.559 1.00 0.00 H new ATOM 0 HG21 THR A 14 -21.879 4.497 12.297 1.00 0.00 H new ATOM 0 HG22 THR A 14 -21.037 3.537 13.537 1.00 0.00 H new ATOM 0 HG23 THR A 14 -20.870 5.309 13.517 1.00 0.00 H new ATOM 17 N LEU A 15 -16.188 3.456 12.516 1.00 0.00 N ATOM 18 CA LEU A 15 -15.059 2.878 11.735 1.00 0.00 C ATOM 19 C LEU A 15 -14.777 3.766 10.519 1.00 0.00 C ATOM 20 O LEU A 15 -14.923 3.335 9.392 1.00 0.00 O ATOM 21 CB LEU A 15 -15.433 1.470 11.263 1.00 0.00 C ATOM 22 CG LEU A 15 -14.234 0.536 11.438 1.00 0.00 C ATOM 23 CD1 LEU A 15 -13.070 1.029 10.578 1.00 0.00 C ATOM 24 CD2 LEU A 15 -13.811 0.522 12.908 1.00 0.00 C ATOM 0 H LEU A 15 -15.960 3.730 13.472 1.00 0.00 H new ATOM 0 HA LEU A 15 -14.170 2.826 12.363 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -16.283 1.098 11.834 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -15.738 1.495 10.217 1.00 0.00 H new ATOM 0 HG LEU A 15 -14.511 -0.472 11.128 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.217 0.362 10.704 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -13.371 1.040 9.530 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -12.792 2.037 10.886 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.957 -0.143 13.034 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -13.535 1.530 13.217 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -14.640 0.169 13.522 1.00 0.00 H new ATOM 36 N PRO A 16 -14.380 4.985 10.788 1.00 0.00 N ATOM 37 CA PRO A 16 -14.067 5.967 9.737 1.00 0.00 C ATOM 38 C PRO A 16 -12.684 5.686 9.143 1.00 0.00 C ATOM 39 O PRO A 16 -11.722 5.485 9.857 1.00 0.00 O ATOM 40 CB PRO A 16 -14.079 7.305 10.481 1.00 0.00 C ATOM 41 CG PRO A 16 -13.831 6.976 11.973 1.00 0.00 C ATOM 42 CD PRO A 16 -14.205 5.495 12.164 1.00 0.00 C ATOM 0 HA PRO A 16 -14.768 5.943 8.903 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -13.306 7.971 10.096 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.033 7.815 10.349 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.789 7.150 12.240 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -14.436 7.615 12.617 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -13.422 4.952 12.694 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.119 5.387 12.748 1.00 0.00 H new ATOM 50 N ARG A 17 -12.579 5.668 7.844 1.00 0.00 N ATOM 51 CA ARG A 17 -11.260 5.398 7.212 1.00 0.00 C ATOM 52 C ARG A 17 -11.198 6.083 5.845 1.00 0.00 C ATOM 53 O ARG A 17 -11.258 5.443 4.816 1.00 0.00 O ATOM 54 CB ARG A 17 -11.077 3.889 7.037 1.00 0.00 C ATOM 55 CG ARG A 17 -9.774 3.453 7.709 1.00 0.00 C ATOM 56 CD ARG A 17 -9.957 3.449 9.227 1.00 0.00 C ATOM 57 NE ARG A 17 -9.258 4.629 9.815 1.00 0.00 N ATOM 58 CZ ARG A 17 -8.487 4.478 10.856 1.00 0.00 C ATOM 59 NH1 ARG A 17 -7.369 3.813 10.750 1.00 0.00 N ATOM 60 NH2 ARG A 17 -8.833 4.993 12.005 1.00 0.00 N ATOM 0 H ARG A 17 -13.349 5.828 7.194 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.466 5.788 7.849 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.921 3.356 7.475 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.055 3.635 5.977 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.490 2.459 7.364 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.966 4.130 7.432 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.018 3.480 9.476 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.557 2.528 9.650 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.383 5.554 9.403 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.098 3.411 9.853 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.766 3.695 11.565 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.706 5.513 12.088 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.230 4.875 12.819 1.00 0.00 H new ATOM 74 N GLY A 18 -11.074 7.382 5.831 1.00 0.00 N ATOM 75 CA GLY A 18 -11.004 8.110 4.534 1.00 0.00 C ATOM 76 C GLY A 18 -9.862 9.125 4.585 1.00 0.00 C ATOM 77 O GLY A 18 -9.794 10.040 3.789 1.00 0.00 O ATOM 0 H GLY A 18 -11.018 7.970 6.662 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.844 7.406 3.717 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.948 8.618 4.337 1.00 0.00 H new ATOM 81 N SER A 19 -8.964 8.969 5.518 1.00 0.00 N ATOM 82 CA SER A 19 -7.826 9.918 5.626 1.00 0.00 C ATOM 83 C SER A 19 -6.511 9.140 5.594 1.00 0.00 C ATOM 84 O SER A 19 -5.559 9.534 4.949 1.00 0.00 O ATOM 85 CB SER A 19 -7.930 10.690 6.941 1.00 0.00 C ATOM 86 OG SER A 19 -8.373 9.812 7.966 1.00 0.00 O ATOM 0 H SER A 19 -8.971 8.221 6.212 1.00 0.00 H new ATOM 0 HA SER A 19 -7.855 10.618 4.791 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.962 11.115 7.204 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.625 11.522 6.833 1.00 0.00 H new ATOM 0 HG SER A 19 -8.439 10.303 8.811 1.00 0.00 H new ATOM 92 N ILE A 20 -6.453 8.039 6.285 1.00 0.00 N ATOM 93 CA ILE A 20 -5.201 7.230 6.296 1.00 0.00 C ATOM 94 C ILE A 20 -4.883 6.770 4.877 1.00 0.00 C ATOM 95 O ILE A 20 -3.835 7.059 4.334 1.00 0.00 O ATOM 96 CB ILE A 20 -5.384 6.001 7.189 1.00 0.00 C ATOM 97 CG1 ILE A 20 -6.164 6.386 8.449 1.00 0.00 C ATOM 98 CG2 ILE A 20 -4.011 5.458 7.587 1.00 0.00 C ATOM 99 CD1 ILE A 20 -5.599 7.683 9.025 1.00 0.00 C ATOM 0 H ILE A 20 -7.218 7.662 6.844 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.385 7.841 6.681 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.939 5.237 6.644 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.220 6.512 8.211 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.097 5.588 9.189 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.137 4.582 8.223 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.456 5.179 6.691 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.460 6.225 8.131 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.155 7.956 9.922 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.548 7.541 9.279 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.689 8.479 8.286 1.00 0.00 H new ATOM 111 N ASP A 21 -5.783 6.051 4.277 1.00 0.00 N ATOM 112 CA ASP A 21 -5.547 5.557 2.891 1.00 0.00 C ATOM 113 C ASP A 21 -5.617 6.730 1.916 1.00 0.00 C ATOM 114 O ASP A 21 -5.222 6.623 0.772 1.00 0.00 O ATOM 115 CB ASP A 21 -6.612 4.523 2.526 1.00 0.00 C ATOM 116 CG ASP A 21 -6.598 3.390 3.554 1.00 0.00 C ATOM 117 OD1 ASP A 21 -6.229 3.651 4.687 1.00 0.00 O ATOM 118 OD2 ASP A 21 -6.955 2.282 3.190 1.00 0.00 O ATOM 0 H ASP A 21 -6.678 5.781 4.686 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.562 5.094 2.833 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.595 4.992 2.500 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.422 4.126 1.529 1.00 0.00 H new ATOM 123 N LYS A 22 -6.113 7.850 2.361 1.00 0.00 N ATOM 124 CA LYS A 22 -6.203 9.029 1.459 1.00 0.00 C ATOM 125 C LYS A 22 -4.964 9.906 1.648 1.00 0.00 C ATOM 126 O LYS A 22 -4.853 10.971 1.071 1.00 0.00 O ATOM 127 CB LYS A 22 -7.457 9.838 1.795 1.00 0.00 C ATOM 128 CG LYS A 22 -7.911 10.610 0.555 1.00 0.00 C ATOM 129 CD LYS A 22 -8.259 12.046 0.950 1.00 0.00 C ATOM 130 CE LYS A 22 -9.655 12.077 1.575 1.00 0.00 C ATOM 131 NZ LYS A 22 -9.584 12.710 2.922 1.00 0.00 N ATOM 0 H LYS A 22 -6.459 7.999 3.309 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.258 8.692 0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.252 9.174 2.134 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.249 10.529 2.612 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.122 10.609 -0.197 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.778 10.124 0.108 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.523 12.429 1.657 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.226 12.694 0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.339 12.635 0.935 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.050 11.065 1.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.402 13.338 3.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.593 11.971 3.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.707 13.263 3.000 1.00 0.00 H new ATOM 145 N TYR A 23 -4.028 9.471 2.448 1.00 0.00 N ATOM 146 CA TYR A 23 -2.802 10.288 2.662 1.00 0.00 C ATOM 147 C TYR A 23 -1.583 9.369 2.750 1.00 0.00 C ATOM 148 O TYR A 23 -0.705 9.560 3.567 1.00 0.00 O ATOM 149 CB TYR A 23 -2.940 11.087 3.959 1.00 0.00 C ATOM 150 CG TYR A 23 -3.928 12.209 3.750 1.00 0.00 C ATOM 151 CD1 TYR A 23 -3.864 12.990 2.590 1.00 0.00 C ATOM 152 CD2 TYR A 23 -4.910 12.467 4.714 1.00 0.00 C ATOM 153 CE1 TYR A 23 -4.780 14.029 2.393 1.00 0.00 C ATOM 154 CE2 TYR A 23 -5.828 13.506 4.517 1.00 0.00 C ATOM 155 CZ TYR A 23 -5.763 14.287 3.357 1.00 0.00 C ATOM 156 OH TYR A 23 -6.668 15.311 3.163 1.00 0.00 O ATOM 0 H TYR A 23 -4.060 8.589 2.960 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.674 10.976 1.826 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.276 10.437 4.766 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.972 11.490 4.256 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -3.107 12.790 1.846 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -4.960 11.865 5.609 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.729 14.632 1.498 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.586 13.705 5.260 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.282 15.354 3.926 1.00 0.00 H new ATOM 166 N VAL A 24 -1.521 8.373 1.909 1.00 0.00 N ATOM 167 CA VAL A 24 -0.358 7.444 1.941 1.00 0.00 C ATOM 168 C VAL A 24 0.074 7.120 0.510 1.00 0.00 C ATOM 169 O VAL A 24 -0.632 6.461 -0.227 1.00 0.00 O ATOM 170 CB VAL A 24 -0.755 6.154 2.659 1.00 0.00 C ATOM 171 CG1 VAL A 24 0.341 5.107 2.463 1.00 0.00 C ATOM 172 CG2 VAL A 24 -0.931 6.436 4.152 1.00 0.00 C ATOM 0 H VAL A 24 -2.225 8.163 1.202 1.00 0.00 H new ATOM 0 HA VAL A 24 0.469 7.915 2.473 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.693 5.781 2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.060 4.186 2.974 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.467 4.907 1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.278 5.480 2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.214 5.517 4.665 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.007 6.808 4.565 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.711 7.184 4.291 1.00 0.00 H new ATOM 182 N LYS A 25 1.227 7.581 0.111 1.00 0.00 N ATOM 183 CA LYS A 25 1.702 7.302 -1.275 1.00 0.00 C ATOM 184 C LYS A 25 2.831 6.272 -1.234 1.00 0.00 C ATOM 185 O LYS A 25 3.978 6.602 -1.003 1.00 0.00 O ATOM 186 CB LYS A 25 2.217 8.599 -1.904 1.00 0.00 C ATOM 187 CG LYS A 25 1.873 8.615 -3.395 1.00 0.00 C ATOM 188 CD LYS A 25 2.439 7.362 -4.064 1.00 0.00 C ATOM 189 CE LYS A 25 2.416 7.541 -5.583 1.00 0.00 C ATOM 190 NZ LYS A 25 3.617 8.316 -6.009 1.00 0.00 N ATOM 0 H LYS A 25 1.861 8.138 0.684 1.00 0.00 H new ATOM 0 HA LYS A 25 0.877 6.909 -1.869 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.769 9.460 -1.407 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.296 8.678 -1.768 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.792 8.655 -3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.285 9.508 -3.864 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.459 7.184 -3.723 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.851 6.489 -3.781 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.404 6.568 -6.075 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.507 8.062 -5.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.430 8.770 -6.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.829 9.045 -5.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.430 7.674 -6.100 1.00 0.00 H new ATOM 204 N GLU A 26 2.517 5.025 -1.460 1.00 0.00 N ATOM 205 CA GLU A 26 3.574 3.975 -1.437 1.00 0.00 C ATOM 206 C GLU A 26 4.220 3.874 -2.822 1.00 0.00 C ATOM 207 O GLU A 26 3.561 3.608 -3.806 1.00 0.00 O ATOM 208 CB GLU A 26 2.948 2.630 -1.064 1.00 0.00 C ATOM 209 CG GLU A 26 2.102 2.119 -2.232 1.00 0.00 C ATOM 210 CD GLU A 26 2.942 1.175 -3.096 1.00 0.00 C ATOM 211 OE1 GLU A 26 4.064 0.893 -2.710 1.00 0.00 O ATOM 212 OE2 GLU A 26 2.447 0.751 -4.127 1.00 0.00 O ATOM 0 H GLU A 26 1.575 4.689 -1.659 1.00 0.00 H new ATOM 0 HA GLU A 26 4.333 4.237 -0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.728 1.908 -0.823 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.329 2.739 -0.173 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.221 1.598 -1.856 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.746 2.957 -2.831 1.00 0.00 H new ATOM 219 N MET A 27 5.505 4.088 -2.904 1.00 0.00 N ATOM 220 CA MET A 27 6.195 4.008 -4.223 1.00 0.00 C ATOM 221 C MET A 27 6.665 2.569 -4.472 1.00 0.00 C ATOM 222 O MET A 27 7.081 1.885 -3.551 1.00 0.00 O ATOM 223 CB MET A 27 7.402 4.947 -4.219 1.00 0.00 C ATOM 224 CG MET A 27 7.524 5.632 -5.581 1.00 0.00 C ATOM 225 SD MET A 27 8.376 7.218 -5.385 1.00 0.00 S ATOM 226 CE MET A 27 6.980 8.149 -4.706 1.00 0.00 C ATOM 0 H MET A 27 6.108 4.315 -2.113 1.00 0.00 H new ATOM 0 HA MET A 27 5.505 4.303 -5.014 1.00 0.00 H new ATOM 0 HB2 MET A 27 7.291 5.694 -3.433 1.00 0.00 H new ATOM 0 HB3 MET A 27 8.311 4.386 -4.000 1.00 0.00 H new ATOM 0 HG2 MET A 27 8.075 4.994 -6.273 1.00 0.00 H new ATOM 0 HG3 MET A 27 6.535 5.789 -6.011 1.00 0.00 H new ATOM 0 HE1 MET A 27 6.727 8.968 -5.379 1.00 0.00 H new ATOM 0 HE2 MET A 27 6.120 7.488 -4.598 1.00 0.00 H new ATOM 0 HE3 MET A 27 7.252 8.552 -3.731 1.00 0.00 H new ATOM 236 N PRO A 28 6.591 2.152 -5.713 1.00 0.00 N ATOM 237 CA PRO A 28 6.999 0.796 -6.118 1.00 0.00 C ATOM 238 C PRO A 28 8.517 0.661 -6.045 1.00 0.00 C ATOM 239 O PRO A 28 9.060 -0.424 -6.126 1.00 0.00 O ATOM 240 CB PRO A 28 6.482 0.670 -7.554 1.00 0.00 C ATOM 241 CG PRO A 28 6.295 2.112 -8.075 1.00 0.00 C ATOM 242 CD PRO A 28 6.119 3.000 -6.829 1.00 0.00 C ATOM 0 HA PRO A 28 6.601 0.011 -5.475 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.189 0.121 -8.175 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.541 0.121 -7.582 1.00 0.00 H new ATOM 0 HG2 PRO A 28 7.158 2.429 -8.660 1.00 0.00 H new ATOM 0 HG3 PRO A 28 5.425 2.180 -8.728 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.703 3.917 -6.907 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.078 3.295 -6.693 1.00 0.00 H new ATOM 250 N ASP A 29 9.205 1.753 -5.867 1.00 0.00 N ATOM 251 CA ASP A 29 10.682 1.686 -5.756 1.00 0.00 C ATOM 252 C ASP A 29 11.049 1.544 -4.280 1.00 0.00 C ATOM 253 O ASP A 29 12.151 1.847 -3.873 1.00 0.00 O ATOM 254 CB ASP A 29 11.307 2.962 -6.329 1.00 0.00 C ATOM 255 CG ASP A 29 11.064 4.131 -5.373 1.00 0.00 C ATOM 256 OD1 ASP A 29 9.940 4.599 -5.315 1.00 0.00 O ATOM 257 OD2 ASP A 29 12.008 4.539 -4.717 1.00 0.00 O ATOM 0 H ASP A 29 8.805 2.689 -5.794 1.00 0.00 H new ATOM 0 HA ASP A 29 11.060 0.832 -6.318 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.377 2.819 -6.478 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.876 3.183 -7.305 1.00 0.00 H new ATOM 262 N LYS A 30 10.112 1.092 -3.478 1.00 0.00 N ATOM 263 CA LYS A 30 10.360 0.920 -2.021 1.00 0.00 C ATOM 264 C LYS A 30 10.428 2.293 -1.358 1.00 0.00 C ATOM 265 O LYS A 30 11.417 2.657 -0.754 1.00 0.00 O ATOM 266 CB LYS A 30 11.671 0.166 -1.796 1.00 0.00 C ATOM 267 CG LYS A 30 11.577 -1.223 -2.431 1.00 0.00 C ATOM 268 CD LYS A 30 12.330 -1.228 -3.762 1.00 0.00 C ATOM 269 CE LYS A 30 12.683 -2.666 -4.143 1.00 0.00 C ATOM 270 NZ LYS A 30 11.435 -3.471 -4.256 1.00 0.00 N ATOM 0 H LYS A 30 9.174 0.833 -3.782 1.00 0.00 H new ATOM 0 HA LYS A 30 9.547 0.343 -1.581 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.502 0.721 -2.232 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.873 0.077 -0.729 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.999 -1.971 -1.760 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.533 -1.491 -2.591 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.717 -0.774 -4.541 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.237 -0.629 -3.681 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.224 -2.680 -5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.342 -3.101 -3.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.643 -4.369 -4.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.061 -3.667 -3.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.728 -2.940 -4.804 1.00 0.00 H new ATOM 284 N THR A 31 9.378 3.058 -1.471 1.00 0.00 N ATOM 285 CA THR A 31 9.375 4.409 -0.851 1.00 0.00 C ATOM 286 C THR A 31 7.987 4.710 -0.281 1.00 0.00 C ATOM 287 O THR A 31 7.091 3.893 -0.343 1.00 0.00 O ATOM 288 CB THR A 31 9.731 5.449 -1.909 1.00 0.00 C ATOM 289 OG1 THR A 31 10.703 4.910 -2.794 1.00 0.00 O ATOM 290 CG2 THR A 31 10.289 6.700 -1.231 1.00 0.00 C ATOM 0 H THR A 31 8.523 2.805 -1.966 1.00 0.00 H new ATOM 0 HA THR A 31 10.108 4.442 -0.045 1.00 0.00 H new ATOM 0 HB THR A 31 8.837 5.715 -2.473 1.00 0.00 H new ATOM 0 HG1 THR A 31 11.008 5.609 -3.410 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.543 7.442 -1.988 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.540 7.113 -0.556 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.183 6.439 -0.665 1.00 0.00 H new ATOM 298 N PHE A 32 7.805 5.876 0.276 1.00 0.00 N ATOM 299 CA PHE A 32 6.476 6.229 0.852 1.00 0.00 C ATOM 300 C PHE A 32 6.398 7.745 1.044 1.00 0.00 C ATOM 301 O PHE A 32 7.388 8.396 1.314 1.00 0.00 O ATOM 302 CB PHE A 32 6.302 5.529 2.201 1.00 0.00 C ATOM 303 CG PHE A 32 5.371 4.349 2.039 1.00 0.00 C ATOM 304 CD1 PHE A 32 3.987 4.530 2.148 1.00 0.00 C ATOM 305 CD2 PHE A 32 5.893 3.077 1.777 1.00 0.00 C ATOM 306 CE1 PHE A 32 3.125 3.437 1.997 1.00 0.00 C ATOM 307 CE2 PHE A 32 5.030 1.984 1.626 1.00 0.00 C ATOM 308 CZ PHE A 32 3.647 2.164 1.736 1.00 0.00 C ATOM 0 H PHE A 32 8.519 6.600 0.357 1.00 0.00 H new ATOM 0 HA PHE A 32 5.685 5.906 0.176 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.269 5.194 2.577 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.899 6.226 2.935 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.585 5.512 2.348 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.961 2.938 1.691 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.057 3.576 2.082 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.432 1.002 1.425 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.982 1.321 1.620 1.00 0.00 H new ATOM 318 N GLU A 33 5.231 8.315 0.904 1.00 0.00 N ATOM 319 CA GLU A 33 5.101 9.790 1.075 1.00 0.00 C ATOM 320 C GLU A 33 3.724 10.130 1.650 1.00 0.00 C ATOM 321 O GLU A 33 2.739 10.190 0.941 1.00 0.00 O ATOM 322 CB GLU A 33 5.267 10.475 -0.284 1.00 0.00 C ATOM 323 CG GLU A 33 6.439 11.456 -0.222 1.00 0.00 C ATOM 324 CD GLU A 33 6.383 12.397 -1.427 1.00 0.00 C ATOM 325 OE1 GLU A 33 5.287 12.664 -1.892 1.00 0.00 O ATOM 326 OE2 GLU A 33 7.435 12.835 -1.862 1.00 0.00 O ATOM 0 H GLU A 33 4.365 7.825 0.679 1.00 0.00 H new ATOM 0 HA GLU A 33 5.872 10.140 1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.444 9.730 -1.060 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.351 11.002 -0.551 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.397 12.030 0.703 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.383 10.911 -0.217 1.00 0.00 H new ATOM 333 N CYS A 34 3.652 10.364 2.932 1.00 0.00 N ATOM 334 CA CYS A 34 2.348 10.716 3.563 1.00 0.00 C ATOM 335 C CYS A 34 1.765 11.940 2.850 1.00 0.00 C ATOM 336 O CYS A 34 2.321 13.019 2.898 1.00 0.00 O ATOM 337 CB CYS A 34 2.593 11.037 5.037 1.00 0.00 C ATOM 338 SG CYS A 34 1.026 11.088 5.942 1.00 0.00 S ATOM 0 H CYS A 34 4.445 10.326 3.573 1.00 0.00 H new ATOM 0 HA CYS A 34 1.646 9.886 3.482 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.249 10.285 5.475 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.103 11.996 5.127 1.00 0.00 H new ATOM 343 N LEU A 35 0.658 11.779 2.173 1.00 0.00 N ATOM 344 CA LEU A 35 0.058 12.933 1.443 1.00 0.00 C ATOM 345 C LEU A 35 -0.827 13.757 2.382 1.00 0.00 C ATOM 346 O LEU A 35 -1.508 14.669 1.956 1.00 0.00 O ATOM 347 CB LEU A 35 -0.787 12.418 0.276 1.00 0.00 C ATOM 348 CG LEU A 35 -0.010 11.344 -0.487 1.00 0.00 C ATOM 349 CD1 LEU A 35 -0.574 9.964 -0.147 1.00 0.00 C ATOM 350 CD2 LEU A 35 -0.148 11.594 -1.990 1.00 0.00 C ATOM 0 H LEU A 35 0.145 10.901 2.095 1.00 0.00 H new ATOM 0 HA LEU A 35 0.863 13.565 1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.726 12.007 0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.042 13.241 -0.392 1.00 0.00 H new ATOM 0 HG LEU A 35 1.042 11.384 -0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.019 9.200 -0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.480 9.786 0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.625 9.921 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.404 10.831 -2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.200 11.552 -2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.254 12.578 -2.234 1.00 0.00 H new ATOM 362 N PHE A 36 -0.828 13.458 3.651 1.00 0.00 N ATOM 363 CA PHE A 36 -1.675 14.248 4.587 1.00 0.00 C ATOM 364 C PHE A 36 -1.213 15.709 4.559 1.00 0.00 C ATOM 365 O PHE A 36 -0.029 15.976 4.498 1.00 0.00 O ATOM 366 CB PHE A 36 -1.527 13.693 6.004 1.00 0.00 C ATOM 367 CG PHE A 36 -2.488 14.402 6.926 1.00 0.00 C ATOM 368 CD1 PHE A 36 -2.226 15.716 7.334 1.00 0.00 C ATOM 369 CD2 PHE A 36 -3.639 13.747 7.374 1.00 0.00 C ATOM 370 CE1 PHE A 36 -3.117 16.373 8.192 1.00 0.00 C ATOM 371 CE2 PHE A 36 -4.530 14.404 8.232 1.00 0.00 C ATOM 372 CZ PHE A 36 -4.269 15.716 8.641 1.00 0.00 C ATOM 0 H PHE A 36 -0.284 12.708 4.078 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.720 14.183 4.284 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.726 12.621 6.009 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.504 13.829 6.354 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.337 16.222 6.987 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.841 12.734 7.058 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.915 17.386 8.507 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.419 13.897 8.578 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.956 16.222 9.303 1.00 0.00 H new ATOM 382 N PRO A 37 -2.158 16.615 4.606 1.00 0.00 N ATOM 383 CA PRO A 37 -1.862 18.057 4.588 1.00 0.00 C ATOM 384 C PRO A 37 -1.303 18.494 5.941 1.00 0.00 C ATOM 385 O PRO A 37 -1.984 18.471 6.947 1.00 0.00 O ATOM 386 CB PRO A 37 -3.218 18.704 4.300 1.00 0.00 C ATOM 387 CG PRO A 37 -4.289 17.669 4.715 1.00 0.00 C ATOM 388 CD PRO A 37 -3.598 16.292 4.689 1.00 0.00 C ATOM 0 HA PRO A 37 -1.111 18.338 3.850 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.334 19.631 4.862 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.311 18.958 3.244 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.677 17.890 5.709 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.136 17.691 4.030 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.826 15.714 5.585 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.924 15.698 3.835 1.00 0.00 H new ATOM 396 N GLY A 38 -0.057 18.875 5.970 1.00 0.00 N ATOM 397 CA GLY A 38 0.570 19.295 7.252 1.00 0.00 C ATOM 398 C GLY A 38 1.678 18.301 7.605 1.00 0.00 C ATOM 399 O GLY A 38 2.490 18.540 8.475 1.00 0.00 O ATOM 0 H GLY A 38 0.557 18.913 5.156 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.980 20.301 7.160 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.177 19.326 8.045 1.00 0.00 H new ATOM 403 N CYS A 39 1.714 17.183 6.927 1.00 0.00 N ATOM 404 CA CYS A 39 2.766 16.167 7.213 1.00 0.00 C ATOM 405 C CYS A 39 4.110 16.659 6.672 1.00 0.00 C ATOM 406 O CYS A 39 4.178 17.617 5.929 1.00 0.00 O ATOM 407 CB CYS A 39 2.400 14.852 6.525 1.00 0.00 C ATOM 408 SG CYS A 39 3.350 13.499 7.262 1.00 0.00 S ATOM 0 H CYS A 39 1.059 16.931 6.187 1.00 0.00 H new ATOM 0 HA CYS A 39 2.838 16.012 8.290 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.332 14.660 6.630 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.609 14.918 5.457 1.00 0.00 H new ATOM 413 N THR A 40 5.180 16.007 7.035 1.00 0.00 N ATOM 414 CA THR A 40 6.518 16.430 6.538 1.00 0.00 C ATOM 415 C THR A 40 7.507 15.274 6.697 1.00 0.00 C ATOM 416 O THR A 40 8.700 15.477 6.817 1.00 0.00 O ATOM 417 CB THR A 40 7.006 17.634 7.347 1.00 0.00 C ATOM 418 OG1 THR A 40 5.962 18.086 8.198 1.00 0.00 O ATOM 419 CG2 THR A 40 7.413 18.759 6.394 1.00 0.00 C ATOM 0 H THR A 40 5.185 15.198 7.656 1.00 0.00 H new ATOM 0 HA THR A 40 6.445 16.706 5.486 1.00 0.00 H new ATOM 0 HB THR A 40 7.866 17.343 7.950 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.274 18.856 8.718 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.760 19.616 6.970 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.214 18.411 5.742 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.555 19.052 5.789 1.00 0.00 H new ATOM 427 N LYS A 41 7.024 14.061 6.706 1.00 0.00 N ATOM 428 CA LYS A 41 7.940 12.896 6.864 1.00 0.00 C ATOM 429 C LYS A 41 7.638 11.844 5.793 1.00 0.00 C ATOM 430 O LYS A 41 6.522 11.716 5.329 1.00 0.00 O ATOM 431 CB LYS A 41 7.743 12.281 8.252 1.00 0.00 C ATOM 432 CG LYS A 41 8.559 13.070 9.277 1.00 0.00 C ATOM 433 CD LYS A 41 7.671 13.434 10.467 1.00 0.00 C ATOM 434 CE LYS A 41 6.430 14.177 9.971 1.00 0.00 C ATOM 435 NZ LYS A 41 6.235 15.411 10.780 1.00 0.00 N ATOM 0 H LYS A 41 6.036 13.827 6.611 1.00 0.00 H new ATOM 0 HA LYS A 41 8.971 13.233 6.753 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.687 12.296 8.522 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.056 11.237 8.247 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.410 12.478 9.613 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.960 13.974 8.819 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.377 12.532 11.004 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.224 14.057 11.170 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.543 14.434 8.918 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.553 13.535 10.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.391 15.917 10.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.109 15.154 11.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.069 16.025 10.683 1.00 0.00 H new ATOM 449 N THR A 42 8.628 11.087 5.402 1.00 0.00 N ATOM 450 CA THR A 42 8.408 10.037 4.366 1.00 0.00 C ATOM 451 C THR A 42 8.953 8.704 4.877 1.00 0.00 C ATOM 452 O THR A 42 9.636 8.646 5.880 1.00 0.00 O ATOM 453 CB THR A 42 9.137 10.424 3.079 1.00 0.00 C ATOM 454 OG1 THR A 42 10.502 10.043 3.174 1.00 0.00 O ATOM 455 CG2 THR A 42 9.039 11.936 2.867 1.00 0.00 C ATOM 0 H THR A 42 9.582 11.151 5.757 1.00 0.00 H new ATOM 0 HA THR A 42 7.341 9.945 4.162 1.00 0.00 H new ATOM 0 HB THR A 42 8.676 9.912 2.234 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.969 10.290 2.348 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.559 12.209 1.949 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.991 12.225 2.790 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.497 12.452 3.711 1.00 0.00 H new ATOM 463 N PHE A 43 8.654 7.629 4.200 1.00 0.00 N ATOM 464 CA PHE A 43 9.154 6.301 4.657 1.00 0.00 C ATOM 465 C PHE A 43 9.428 5.410 3.445 1.00 0.00 C ATOM 466 O PHE A 43 9.487 5.871 2.321 1.00 0.00 O ATOM 467 CB PHE A 43 8.099 5.642 5.547 1.00 0.00 C ATOM 468 CG PHE A 43 7.440 6.693 6.410 1.00 0.00 C ATOM 469 CD1 PHE A 43 6.554 7.614 5.837 1.00 0.00 C ATOM 470 CD2 PHE A 43 7.718 6.749 7.782 1.00 0.00 C ATOM 471 CE1 PHE A 43 5.945 8.588 6.636 1.00 0.00 C ATOM 472 CE2 PHE A 43 7.108 7.724 8.580 1.00 0.00 C ATOM 473 CZ PHE A 43 6.222 8.644 8.007 1.00 0.00 C ATOM 0 H PHE A 43 8.087 7.612 3.352 1.00 0.00 H new ATOM 0 HA PHE A 43 10.077 6.435 5.221 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.352 5.140 4.933 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.561 4.879 6.174 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.341 7.572 4.779 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.403 6.040 8.224 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.261 9.297 6.194 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.321 7.766 9.638 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.752 9.397 8.623 1.00 0.00 H new ATOM 483 N LYS A 44 9.596 4.133 3.663 1.00 0.00 N ATOM 484 CA LYS A 44 9.867 3.211 2.525 1.00 0.00 C ATOM 485 C LYS A 44 8.906 2.025 2.586 1.00 0.00 C ATOM 486 O LYS A 44 7.979 2.004 3.373 1.00 0.00 O ATOM 487 CB LYS A 44 11.307 2.701 2.613 1.00 0.00 C ATOM 488 CG LYS A 44 11.474 1.867 3.885 1.00 0.00 C ATOM 489 CD LYS A 44 12.910 1.349 3.972 1.00 0.00 C ATOM 490 CE LYS A 44 13.372 1.366 5.431 1.00 0.00 C ATOM 491 NZ LYS A 44 14.182 2.591 5.681 1.00 0.00 N ATOM 0 H LYS A 44 9.557 3.690 4.581 1.00 0.00 H new ATOM 0 HA LYS A 44 9.725 3.746 1.586 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.545 2.099 1.736 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.002 3.541 2.622 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.241 2.471 4.762 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.775 1.031 3.879 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.967 0.336 3.573 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.569 1.969 3.364 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.509 1.345 6.097 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.963 0.476 5.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.496 2.603 6.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.012 2.592 5.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.604 3.434 5.491 1.00 0.00 H new ATOM 505 N ARG A 45 9.116 1.036 1.760 1.00 0.00 N ATOM 506 CA ARG A 45 8.214 -0.149 1.772 1.00 0.00 C ATOM 507 C ARG A 45 7.937 -0.562 3.219 1.00 0.00 C ATOM 508 O ARG A 45 8.809 -1.046 3.914 1.00 0.00 O ATOM 509 CB ARG A 45 8.884 -1.308 1.032 1.00 0.00 C ATOM 510 CG ARG A 45 10.318 -1.475 1.538 1.00 0.00 C ATOM 511 CD ARG A 45 10.396 -2.701 2.451 1.00 0.00 C ATOM 512 NE ARG A 45 11.557 -3.545 2.049 1.00 0.00 N ATOM 513 CZ ARG A 45 11.595 -4.079 0.860 1.00 0.00 C ATOM 514 NH1 ARG A 45 10.607 -4.825 0.448 1.00 0.00 N ATOM 515 NH2 ARG A 45 12.621 -3.868 0.082 1.00 0.00 N ATOM 0 H ARG A 45 9.873 0.998 1.078 1.00 0.00 H new ATOM 0 HA ARG A 45 7.276 0.103 1.278 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.322 -2.228 1.190 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.886 -1.116 -0.041 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.001 -1.591 0.696 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.630 -0.583 2.081 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.502 -2.388 3.490 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.473 -3.277 2.384 1.00 0.00 H new ATOM 0 HE ARG A 45 12.322 -3.705 2.704 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.805 -4.990 1.056 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.637 -5.243 -0.482 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.394 -3.285 0.404 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.650 -4.286 -0.848 1.00 0.00 H new ATOM 529 N ARG A 46 6.730 -0.374 3.680 1.00 0.00 N ATOM 530 CA ARG A 46 6.400 -0.754 5.081 1.00 0.00 C ATOM 531 C ARG A 46 5.053 -0.140 5.470 1.00 0.00 C ATOM 532 O ARG A 46 4.256 0.218 4.626 1.00 0.00 O ATOM 533 CB ARG A 46 7.494 -0.235 6.020 1.00 0.00 C ATOM 534 CG ARG A 46 8.204 -1.420 6.679 1.00 0.00 C ATOM 535 CD ARG A 46 9.079 -0.918 7.828 1.00 0.00 C ATOM 536 NE ARG A 46 10.412 -1.582 7.766 1.00 0.00 N ATOM 537 CZ ARG A 46 10.512 -2.868 7.973 1.00 0.00 C ATOM 538 NH1 ARG A 46 10.680 -3.322 9.186 1.00 0.00 N ATOM 539 NH2 ARG A 46 10.447 -3.697 6.968 1.00 0.00 N ATOM 0 H ARG A 46 5.959 0.027 3.146 1.00 0.00 H new ATOM 0 HA ARG A 46 6.339 -1.839 5.162 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.211 0.368 5.463 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.058 0.411 6.782 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.471 -2.135 7.052 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.816 -1.945 5.945 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.197 0.164 7.764 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.600 -1.130 8.784 1.00 0.00 H new ATOM 0 HE ARG A 46 11.246 -1.032 7.562 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.733 -2.673 9.971 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.758 -4.326 9.349 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.318 -3.341 6.021 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.525 -4.701 7.129 1.00 0.00 H new ATOM 553 N TYR A 47 4.790 -0.018 6.742 1.00 0.00 N ATOM 554 CA TYR A 47 3.493 0.569 7.184 1.00 0.00 C ATOM 555 C TYR A 47 3.745 1.479 8.382 1.00 0.00 C ATOM 556 O TYR A 47 2.845 1.797 9.133 1.00 0.00 O ATOM 557 CB TYR A 47 2.517 -0.537 7.610 1.00 0.00 C ATOM 558 CG TYR A 47 3.172 -1.893 7.487 1.00 0.00 C ATOM 559 CD1 TYR A 47 3.362 -2.462 6.225 1.00 0.00 C ATOM 560 CD2 TYR A 47 3.588 -2.575 8.636 1.00 0.00 C ATOM 561 CE1 TYR A 47 3.970 -3.718 6.108 1.00 0.00 C ATOM 562 CE2 TYR A 47 4.196 -3.832 8.520 1.00 0.00 C ATOM 563 CZ TYR A 47 4.386 -4.403 7.257 1.00 0.00 C ATOM 564 OH TYR A 47 4.985 -5.641 7.143 1.00 0.00 O ATOM 0 H TYR A 47 5.418 -0.300 7.495 1.00 0.00 H new ATOM 0 HA TYR A 47 3.061 1.129 6.355 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.197 -0.372 8.639 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.622 -0.500 6.989 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.040 -1.933 5.340 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.441 -2.133 9.610 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.118 -4.158 5.133 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.518 -4.360 9.405 1.00 0.00 H new ATOM 0 HH TYR A 47 5.213 -5.977 8.035 1.00 0.00 H new ATOM 574 N ASN A 48 4.965 1.888 8.580 1.00 0.00 N ATOM 575 CA ASN A 48 5.268 2.759 9.744 1.00 0.00 C ATOM 576 C ASN A 48 4.457 4.050 9.655 1.00 0.00 C ATOM 577 O ASN A 48 4.255 4.727 10.641 1.00 0.00 O ATOM 578 CB ASN A 48 6.762 3.089 9.770 1.00 0.00 C ATOM 579 CG ASN A 48 7.520 1.965 10.479 1.00 0.00 C ATOM 580 OD1 ASN A 48 7.966 2.128 11.597 1.00 0.00 O ATOM 581 ND2 ASN A 48 7.685 0.822 9.872 1.00 0.00 N ATOM 0 H ASN A 48 5.763 1.657 7.988 1.00 0.00 H new ATOM 0 HA ASN A 48 5.000 2.232 10.660 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.136 3.210 8.753 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.927 4.035 10.285 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.188 0.066 10.336 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.311 0.684 8.933 1.00 0.00 H new ATOM 588 N ILE A 49 3.973 4.394 8.494 1.00 0.00 N ATOM 589 CA ILE A 49 3.160 5.634 8.390 1.00 0.00 C ATOM 590 C ILE A 49 1.759 5.328 8.872 1.00 0.00 C ATOM 591 O ILE A 49 1.253 5.965 9.750 1.00 0.00 O ATOM 592 CB ILE A 49 3.085 6.143 6.952 1.00 0.00 C ATOM 593 CG1 ILE A 49 4.320 5.703 6.191 1.00 0.00 C ATOM 594 CG2 ILE A 49 3.014 7.670 6.954 1.00 0.00 C ATOM 595 CD1 ILE A 49 4.023 4.376 5.501 1.00 0.00 C ATOM 0 H ILE A 49 4.103 3.877 7.624 1.00 0.00 H new ATOM 0 HA ILE A 49 3.631 6.407 8.998 1.00 0.00 H new ATOM 0 HB ILE A 49 2.196 5.735 6.472 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.599 6.457 5.455 1.00 0.00 H new ATOM 0 HG13 ILE A 49 5.164 5.594 6.872 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.961 8.033 5.928 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.127 7.992 7.500 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.904 8.075 7.436 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.904 4.048 4.949 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.763 3.627 6.249 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.189 4.503 4.811 1.00 0.00 H new ATOM 607 N ARG A 50 1.119 4.350 8.315 1.00 0.00 N ATOM 608 CA ARG A 50 -0.257 4.039 8.780 1.00 0.00 C ATOM 609 C ARG A 50 -0.288 4.083 10.306 1.00 0.00 C ATOM 610 O ARG A 50 -1.300 4.378 10.907 1.00 0.00 O ATOM 611 CB ARG A 50 -0.688 2.660 8.272 1.00 0.00 C ATOM 612 CG ARG A 50 -0.864 2.712 6.753 1.00 0.00 C ATOM 613 CD ARG A 50 -1.521 1.418 6.267 1.00 0.00 C ATOM 614 NE ARG A 50 -2.445 1.723 5.139 1.00 0.00 N ATOM 615 CZ ARG A 50 -3.021 0.751 4.484 1.00 0.00 C ATOM 616 NH1 ARG A 50 -3.797 -0.089 5.113 1.00 0.00 N ATOM 617 NH2 ARG A 50 -2.822 0.619 3.201 1.00 0.00 N ATOM 0 H ARG A 50 1.479 3.757 7.567 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.954 4.778 8.384 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.059 1.912 8.537 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.622 2.360 8.748 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.478 3.569 6.477 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.104 2.844 6.269 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.758 0.709 5.945 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.069 0.947 7.083 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.628 2.692 4.878 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.953 0.014 6.116 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.247 -0.848 4.602 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.216 1.275 2.709 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.272 -0.141 2.691 1.00 0.00 H new ATOM 631 N SER A 51 0.825 3.842 10.942 1.00 0.00 N ATOM 632 CA SER A 51 0.848 3.932 12.422 1.00 0.00 C ATOM 633 C SER A 51 1.149 5.384 12.783 1.00 0.00 C ATOM 634 O SER A 51 0.584 5.943 13.702 1.00 0.00 O ATOM 635 CB SER A 51 1.935 3.012 12.975 1.00 0.00 C ATOM 636 OG SER A 51 1.719 2.810 14.366 1.00 0.00 O ATOM 0 H SER A 51 1.710 3.589 10.503 1.00 0.00 H new ATOM 0 HA SER A 51 -0.106 3.624 12.849 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.920 2.057 12.451 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.918 3.451 12.808 1.00 0.00 H new ATOM 0 HG SER A 51 2.414 2.219 14.723 1.00 0.00 H new ATOM 642 N HIS A 52 2.028 5.998 12.042 1.00 0.00 N ATOM 643 CA HIS A 52 2.373 7.420 12.299 1.00 0.00 C ATOM 644 C HIS A 52 1.154 8.295 11.986 1.00 0.00 C ATOM 645 O HIS A 52 0.713 9.065 12.817 1.00 0.00 O ATOM 646 CB HIS A 52 3.596 7.805 11.429 1.00 0.00 C ATOM 647 CG HIS A 52 3.347 9.088 10.672 1.00 0.00 C ATOM 648 ND1 HIS A 52 3.824 10.308 11.125 1.00 0.00 N ATOM 649 CD2 HIS A 52 2.621 9.365 9.535 1.00 0.00 C ATOM 650 CE1 HIS A 52 3.373 11.255 10.284 1.00 0.00 C ATOM 651 NE2 HIS A 52 2.634 10.735 9.302 1.00 0.00 N ATOM 0 H HIS A 52 2.526 5.569 11.262 1.00 0.00 H new ATOM 0 HA HIS A 52 2.638 7.574 13.345 1.00 0.00 H new ATOM 0 HB2 HIS A 52 4.475 7.919 12.063 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.812 7.001 10.726 1.00 0.00 H new ATOM 0 HD1 HIS A 52 4.410 10.460 11.946 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.120 8.632 8.920 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.583 12.309 10.390 1.00 0.00 H new ATOM 659 N ILE A 53 0.602 8.199 10.807 1.00 0.00 N ATOM 660 CA ILE A 53 -0.577 9.042 10.507 1.00 0.00 C ATOM 661 C ILE A 53 -1.666 8.743 11.523 1.00 0.00 C ATOM 662 O ILE A 53 -2.282 9.635 12.043 1.00 0.00 O ATOM 663 CB ILE A 53 -1.116 8.782 9.094 1.00 0.00 C ATOM 664 CG1 ILE A 53 -0.791 7.359 8.637 1.00 0.00 C ATOM 665 CG2 ILE A 53 -0.484 9.772 8.123 1.00 0.00 C ATOM 666 CD1 ILE A 53 -1.553 7.068 7.342 1.00 0.00 C ATOM 0 H ILE A 53 0.913 7.584 10.055 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.274 10.087 10.562 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.199 8.905 9.111 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.282 7.251 8.476 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.071 6.642 9.409 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.865 9.590 7.118 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.733 10.789 8.427 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.599 9.647 8.129 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.328 6.055 7.007 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.624 7.162 7.521 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.250 7.780 6.574 1.00 0.00 H new ATOM 678 N GLN A 54 -1.908 7.497 11.820 1.00 0.00 N ATOM 679 CA GLN A 54 -2.978 7.177 12.805 1.00 0.00 C ATOM 680 C GLN A 54 -2.914 8.144 13.976 1.00 0.00 C ATOM 681 O GLN A 54 -3.923 8.483 14.562 1.00 0.00 O ATOM 682 CB GLN A 54 -2.818 5.743 13.305 1.00 0.00 C ATOM 683 CG GLN A 54 -4.103 4.962 13.025 1.00 0.00 C ATOM 684 CD GLN A 54 -4.038 4.369 11.618 1.00 0.00 C ATOM 685 OE1 GLN A 54 -4.403 3.229 11.410 1.00 0.00 O ATOM 686 NE2 GLN A 54 -3.587 5.100 10.635 1.00 0.00 N ATOM 0 H GLN A 54 -1.417 6.694 11.428 1.00 0.00 H new ATOM 0 HA GLN A 54 -3.947 7.276 12.316 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -1.973 5.265 12.809 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.603 5.740 14.374 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.227 4.168 13.761 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.968 5.619 13.116 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.281 6.057 10.810 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.541 4.714 9.692 1.00 0.00 H new ATOM 695 N THR A 55 -1.754 8.609 14.322 1.00 0.00 N ATOM 696 CA THR A 55 -1.690 9.567 15.450 1.00 0.00 C ATOM 697 C THR A 55 -1.982 10.971 14.929 1.00 0.00 C ATOM 698 O THR A 55 -2.697 11.734 15.546 1.00 0.00 O ATOM 699 CB THR A 55 -0.305 9.525 16.101 1.00 0.00 C ATOM 700 OG1 THR A 55 0.508 8.579 15.421 1.00 0.00 O ATOM 701 CG2 THR A 55 -0.442 9.122 17.570 1.00 0.00 C ATOM 0 H THR A 55 -0.864 8.374 13.883 1.00 0.00 H new ATOM 0 HA THR A 55 -2.432 9.295 16.201 1.00 0.00 H new ATOM 0 HB THR A 55 0.156 10.511 16.039 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.796 8.953 14.562 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.544 9.092 18.033 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.065 9.849 18.090 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.903 8.137 17.635 1.00 0.00 H new ATOM 709 N HIS A 56 -1.445 11.319 13.796 1.00 0.00 N ATOM 710 CA HIS A 56 -1.707 12.667 13.247 1.00 0.00 C ATOM 711 C HIS A 56 -2.771 12.570 12.149 1.00 0.00 C ATOM 712 O HIS A 56 -2.852 13.393 11.260 1.00 0.00 O ATOM 713 CB HIS A 56 -0.381 13.270 12.761 1.00 0.00 C ATOM 714 CG HIS A 56 -0.206 13.234 11.260 1.00 0.00 C ATOM 715 ND1 HIS A 56 -0.738 14.211 10.430 1.00 0.00 N ATOM 716 CD2 HIS A 56 0.586 12.455 10.456 1.00 0.00 C ATOM 717 CE1 HIS A 56 -0.235 14.009 9.194 1.00 0.00 C ATOM 718 NE2 HIS A 56 0.580 12.951 9.156 1.00 0.00 N ATOM 0 H HIS A 56 -0.837 10.727 13.230 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.105 13.337 14.009 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.318 14.304 13.100 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.444 12.731 13.226 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -1.389 14.947 10.704 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.134 11.584 10.784 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.464 14.628 8.339 1.00 0.00 H new ATOM 726 N LEU A 57 -3.612 11.568 12.242 1.00 0.00 N ATOM 727 CA LEU A 57 -4.708 11.394 11.249 1.00 0.00 C ATOM 728 C LEU A 57 -5.936 10.788 11.944 1.00 0.00 C ATOM 729 O LEU A 57 -7.050 10.948 11.484 1.00 0.00 O ATOM 730 CB LEU A 57 -4.262 10.471 10.109 1.00 0.00 C ATOM 731 CG LEU A 57 -3.877 11.311 8.893 1.00 0.00 C ATOM 732 CD1 LEU A 57 -2.453 11.844 9.068 1.00 0.00 C ATOM 733 CD2 LEU A 57 -3.942 10.443 7.635 1.00 0.00 C ATOM 0 H LEU A 57 -3.582 10.858 12.973 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.960 12.369 10.832 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.414 9.865 10.428 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.066 9.783 9.849 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.569 12.148 8.797 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.180 12.443 8.200 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.403 12.461 9.965 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.761 11.008 9.164 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.668 11.041 6.766 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.250 9.607 7.734 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.955 10.062 7.508 1.00 0.00 H new ATOM 745 N GLU A 58 -5.758 10.092 13.046 1.00 0.00 N ATOM 746 CA GLU A 58 -6.935 9.495 13.734 1.00 0.00 C ATOM 747 C GLU A 58 -7.570 10.533 14.662 1.00 0.00 C ATOM 748 O GLU A 58 -8.766 10.746 14.643 1.00 0.00 O ATOM 749 CB GLU A 58 -6.489 8.284 14.558 1.00 0.00 C ATOM 750 CG GLU A 58 -7.722 7.550 15.088 1.00 0.00 C ATOM 751 CD GLU A 58 -7.382 6.075 15.314 1.00 0.00 C ATOM 752 OE1 GLU A 58 -6.205 5.760 15.359 1.00 0.00 O ATOM 753 OE2 GLU A 58 -8.305 5.287 15.436 1.00 0.00 O ATOM 0 H GLU A 58 -4.856 9.917 13.489 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.664 9.180 12.988 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.889 7.613 13.944 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.859 8.606 15.387 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.055 8.004 16.021 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.544 7.640 14.378 1.00 0.00 H new ATOM 760 N ASP A 59 -6.781 11.181 15.475 1.00 0.00 N ATOM 761 CA ASP A 59 -7.343 12.202 16.404 1.00 0.00 C ATOM 762 C ASP A 59 -7.502 13.534 15.669 1.00 0.00 C ATOM 763 O ASP A 59 -8.589 14.069 15.562 1.00 0.00 O ATOM 764 CB ASP A 59 -6.397 12.385 17.593 1.00 0.00 C ATOM 765 CG ASP A 59 -7.019 11.760 18.842 1.00 0.00 C ATOM 766 OD1 ASP A 59 -8.215 11.921 19.028 1.00 0.00 O ATOM 767 OD2 ASP A 59 -6.291 11.131 19.592 1.00 0.00 O ATOM 0 H ASP A 59 -5.772 11.048 15.536 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.317 11.868 16.761 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.435 11.919 17.381 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.207 13.445 17.760 1.00 0.00 H new ATOM 772 N ARG A 60 -6.428 14.079 15.163 1.00 0.00 N ATOM 773 CA ARG A 60 -6.523 15.378 14.439 1.00 0.00 C ATOM 774 C ARG A 60 -7.649 15.305 13.405 1.00 0.00 C ATOM 775 O ARG A 60 -7.671 14.350 12.648 1.00 0.00 O ATOM 776 CB ARG A 60 -5.197 15.665 13.731 1.00 0.00 C ATOM 777 CG ARG A 60 -4.380 16.661 14.558 1.00 0.00 C ATOM 778 CD ARG A 60 -4.103 17.914 13.726 1.00 0.00 C ATOM 779 NE ARG A 60 -5.288 18.816 13.777 1.00 0.00 N ATOM 780 CZ ARG A 60 -5.142 20.098 13.578 1.00 0.00 C ATOM 781 NH1 ARG A 60 -4.663 20.533 12.445 1.00 0.00 N ATOM 782 NH2 ARG A 60 -5.477 20.944 14.513 1.00 0.00 N ATOM 783 OXT ARG A 60 -8.470 16.208 13.389 1.00 0.00 O ATOM 0 H ARG A 60 -5.491 13.681 15.220 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.735 16.176 15.150 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.636 14.740 13.599 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -5.384 16.070 12.736 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.923 16.927 15.465 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.441 16.205 14.871 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.223 18.430 14.109 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.887 17.638 12.694 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.213 18.432 13.967 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.402 19.871 11.714 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.549 21.535 12.290 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.852 20.604 15.398 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.363 21.946 14.359 1.00 0.00 H new TER 797 ARG A 60 HETATM 798 ZN ZN A 61 1.801 11.945 7.933 1.00 0.00 ZN