USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 426 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 18 HIS HD1 : A 18 HIS ND1 : A 60 ZNZN :(H bumps) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -153:sc= 0.255 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0.048) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -176:sc= -4.71 (180deg=-4.81) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -61:sc= 0.552 USER MOD Single : A 56 SER OG : rot 180:sc= 0.00756 USER MOD Single : A 57 ASN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.149 -26.382 11.164 1.00 0.00 N ATOM 2 CA ALA A 2 -12.897 -25.678 10.783 1.00 0.00 C ATOM 3 C ALA A 2 -13.028 -25.034 9.406 1.00 0.00 C ATOM 4 O ALA A 2 -12.536 -25.567 8.412 1.00 0.00 O ATOM 5 CB ALA A 2 -11.723 -26.644 10.803 1.00 0.00 C ATOM 0 HA ALA A 2 -12.717 -24.887 11.511 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.812 -26.115 10.522 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.608 -27.057 11.805 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.906 -27.453 10.096 1.00 0.00 H new ATOM 13 N SER A 3 -13.693 -23.885 9.357 1.00 0.00 N ATOM 14 CA SER A 3 -13.888 -23.169 8.102 1.00 0.00 C ATOM 15 C SER A 3 -14.373 -21.745 8.357 1.00 0.00 C ATOM 16 O SER A 3 -14.697 -21.383 9.488 1.00 0.00 O ATOM 17 CB SER A 3 -14.891 -23.910 7.216 1.00 0.00 C ATOM 18 OG SER A 3 -14.520 -23.836 5.851 1.00 0.00 O ATOM 0 H SER A 3 -14.106 -23.430 10.171 1.00 0.00 H new ATOM 0 HA SER A 3 -12.928 -23.121 7.589 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.950 -24.954 7.524 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.884 -23.482 7.350 1.00 0.00 H new ATOM 0 HG SER A 3 -15.177 -24.319 5.307 1.00 0.00 H new ATOM 24 N THR A 4 -14.420 -20.942 7.300 1.00 0.00 N ATOM 25 CA THR A 4 -14.865 -19.558 7.409 1.00 0.00 C ATOM 26 C THR A 4 -16.241 -19.377 6.776 1.00 0.00 C ATOM 27 O THR A 4 -16.606 -20.094 5.844 1.00 0.00 O ATOM 28 CB THR A 4 -13.857 -18.622 6.742 1.00 0.00 C ATOM 29 OG1 THR A 4 -14.306 -17.280 6.795 1.00 0.00 O ATOM 30 CG2 THR A 4 -13.596 -18.961 5.290 1.00 0.00 C ATOM 0 H THR A 4 -14.155 -21.226 6.357 1.00 0.00 H new ATOM 0 HA THR A 4 -14.936 -19.308 8.468 1.00 0.00 H new ATOM 0 HB THR A 4 -12.930 -18.750 7.302 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.921 -16.776 6.048 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.872 -18.259 4.877 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.200 -19.974 5.218 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.527 -18.895 4.728 1.00 0.00 H new ATOM 38 N SER A 5 -17.000 -18.413 7.288 1.00 0.00 N ATOM 39 CA SER A 5 -18.336 -18.139 6.773 1.00 0.00 C ATOM 40 C SER A 5 -18.579 -16.636 6.664 1.00 0.00 C ATOM 41 O SER A 5 -19.687 -16.157 6.905 1.00 0.00 O ATOM 42 CB SER A 5 -19.394 -18.774 7.677 1.00 0.00 C ATOM 43 OG SER A 5 -18.963 -18.801 9.026 1.00 0.00 O ATOM 0 H SER A 5 -16.713 -17.809 8.058 1.00 0.00 H new ATOM 0 HA SER A 5 -18.411 -18.575 5.777 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.326 -18.213 7.601 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.604 -19.789 7.339 1.00 0.00 H new ATOM 0 HG SER A 5 -19.658 -19.210 9.583 1.00 0.00 H new ATOM 49 N ARG A 6 -17.536 -15.899 6.297 1.00 0.00 N ATOM 50 CA ARG A 6 -17.636 -14.450 6.156 1.00 0.00 C ATOM 51 C ARG A 6 -16.749 -13.953 5.020 1.00 0.00 C ATOM 52 O ARG A 6 -15.919 -14.695 4.495 1.00 0.00 O ATOM 53 CB ARG A 6 -17.242 -13.760 7.464 1.00 0.00 C ATOM 54 CG ARG A 6 -15.802 -14.017 7.877 1.00 0.00 C ATOM 55 CD ARG A 6 -15.664 -14.119 9.387 1.00 0.00 C ATOM 56 NE ARG A 6 -14.270 -14.038 9.817 1.00 0.00 N ATOM 57 CZ ARG A 6 -13.590 -12.898 9.917 1.00 0.00 C ATOM 58 NH1 ARG A 6 -14.169 -11.743 9.616 1.00 0.00 N ATOM 59 NH2 ARG A 6 -12.326 -12.915 10.316 1.00 0.00 N ATOM 0 H ARG A 6 -16.612 -16.280 6.092 1.00 0.00 H new ATOM 0 HA ARG A 6 -18.671 -14.204 5.921 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -17.395 -12.686 7.359 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -17.906 -14.100 8.259 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -15.449 -14.939 7.416 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -15.167 -13.212 7.506 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -16.235 -13.319 9.858 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -16.094 -15.061 9.727 1.00 0.00 H new ATOM 0 HE ARG A 6 -13.790 -14.906 10.055 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -15.141 -11.725 9.306 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -13.643 -10.873 9.695 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -11.876 -13.801 10.546 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.804 -12.042 10.393 1.00 0.00 H new ATOM 73 N LEU A 7 -16.928 -12.690 4.646 1.00 0.00 N ATOM 74 CA LEU A 7 -16.144 -12.091 3.573 1.00 0.00 C ATOM 75 C LEU A 7 -14.656 -12.118 3.906 1.00 0.00 C ATOM 76 O LEU A 7 -14.266 -11.968 5.064 1.00 0.00 O ATOM 77 CB LEU A 7 -16.595 -10.650 3.326 1.00 0.00 C ATOM 78 CG LEU A 7 -16.614 -9.756 4.567 1.00 0.00 C ATOM 79 CD1 LEU A 7 -15.290 -9.021 4.714 1.00 0.00 C ATOM 80 CD2 LEU A 7 -17.768 -8.767 4.493 1.00 0.00 C ATOM 0 H LEU A 7 -17.610 -12.062 5.071 1.00 0.00 H new ATOM 0 HA LEU A 7 -16.307 -12.677 2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -15.935 -10.201 2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -17.596 -10.668 2.894 1.00 0.00 H new ATOM 0 HG LEU A 7 -16.757 -10.387 5.444 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -15.321 -8.390 5.602 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -14.481 -9.745 4.812 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -15.118 -8.401 3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -17.767 -8.139 5.384 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -17.655 -8.141 3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -18.711 -9.311 4.434 1.00 0.00 H new ATOM 92 N ASP A 8 -13.828 -12.312 2.883 1.00 0.00 N ATOM 93 CA ASP A 8 -12.383 -12.360 3.070 1.00 0.00 C ATOM 94 C ASP A 8 -11.654 -12.007 1.777 1.00 0.00 C ATOM 95 O ASP A 8 -12.152 -12.266 0.681 1.00 0.00 O ATOM 96 CB ASP A 8 -11.953 -13.748 3.546 1.00 0.00 C ATOM 97 CG ASP A 8 -12.669 -14.173 4.813 1.00 0.00 C ATOM 98 OD1 ASP A 8 -12.464 -13.521 5.858 1.00 0.00 O ATOM 99 OD2 ASP A 8 -13.434 -15.159 4.761 1.00 0.00 O ATOM 0 H ASP A 8 -14.133 -12.438 1.918 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.118 -11.625 3.829 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.150 -14.476 2.759 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.877 -13.752 3.721 1.00 0.00 H new ATOM 104 N ALA A 9 -10.470 -11.418 1.913 1.00 0.00 N ATOM 105 CA ALA A 9 -9.669 -11.033 0.757 1.00 0.00 C ATOM 106 C ALA A 9 -10.397 -10.002 -0.100 1.00 0.00 C ATOM 107 O ALA A 9 -10.396 -10.088 -1.329 1.00 0.00 O ATOM 108 CB ALA A 9 -9.319 -12.260 -0.073 1.00 0.00 C ATOM 0 H ALA A 9 -10.044 -11.197 2.813 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.748 -10.577 1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -8.721 -11.959 -0.933 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.750 -12.962 0.537 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.235 -12.739 -0.418 1.00 0.00 H new ATOM 114 N LEU A 10 -11.017 -9.026 0.555 1.00 0.00 N ATOM 115 CA LEU A 10 -11.748 -7.978 -0.148 1.00 0.00 C ATOM 116 C LEU A 10 -10.819 -6.831 -0.543 1.00 0.00 C ATOM 117 O LEU A 10 -10.767 -6.437 -1.708 1.00 0.00 O ATOM 118 CB LEU A 10 -12.892 -7.452 0.723 1.00 0.00 C ATOM 119 CG LEU A 10 -14.251 -7.365 0.026 1.00 0.00 C ATOM 120 CD1 LEU A 10 -15.379 -7.538 1.031 1.00 0.00 C ATOM 121 CD2 LEU A 10 -14.387 -6.041 -0.711 1.00 0.00 C ATOM 0 H LEU A 10 -11.028 -8.939 1.571 1.00 0.00 H new ATOM 0 HA LEU A 10 -12.164 -8.410 -1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -12.989 -8.097 1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.624 -6.460 1.088 1.00 0.00 H new ATOM 0 HG LEU A 10 -14.317 -8.172 -0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -16.338 -7.473 0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -15.291 -8.512 1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -15.318 -6.753 1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -15.359 -5.996 -1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -14.300 -5.219 -0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -13.599 -5.959 -1.460 1.00 0.00 H new ATOM 133 N PRO A 11 -10.072 -6.276 0.428 1.00 0.00 N ATOM 134 CA PRO A 11 -9.149 -5.173 0.182 1.00 0.00 C ATOM 135 C PRO A 11 -7.774 -5.648 -0.278 1.00 0.00 C ATOM 136 O PRO A 11 -7.486 -6.845 -0.270 1.00 0.00 O ATOM 137 CB PRO A 11 -9.055 -4.511 1.552 1.00 0.00 C ATOM 138 CG PRO A 11 -9.213 -5.634 2.523 1.00 0.00 C ATOM 139 CD PRO A 11 -10.072 -6.679 1.848 1.00 0.00 C ATOM 0 HA PRO A 11 -9.493 -4.514 -0.615 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.099 -4.005 1.683 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.834 -3.760 1.684 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.242 -6.049 2.795 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.681 -5.286 3.444 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.661 -7.680 1.979 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -11.081 -6.693 2.259 1.00 0.00 H new ATOM 147 N ARG A 12 -6.929 -4.701 -0.674 1.00 0.00 N ATOM 148 CA ARG A 12 -5.582 -5.020 -1.133 1.00 0.00 C ATOM 149 C ARG A 12 -5.619 -5.960 -2.335 1.00 0.00 C ATOM 150 O ARG A 12 -6.684 -6.429 -2.737 1.00 0.00 O ATOM 151 CB ARG A 12 -4.773 -5.657 -0.001 1.00 0.00 C ATOM 152 CG ARG A 12 -4.197 -4.646 0.977 1.00 0.00 C ATOM 153 CD ARG A 12 -5.198 -4.290 2.063 1.00 0.00 C ATOM 154 NE ARG A 12 -5.530 -5.440 2.901 1.00 0.00 N ATOM 155 CZ ARG A 12 -6.091 -5.343 4.105 1.00 0.00 C ATOM 156 NH1 ARG A 12 -6.384 -4.154 4.615 1.00 0.00 N ATOM 157 NH2 ARG A 12 -6.359 -6.440 4.801 1.00 0.00 N ATOM 0 H ARG A 12 -7.154 -3.706 -0.686 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.103 -4.090 -1.438 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.411 -6.354 0.543 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.958 -6.240 -0.431 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.294 -5.052 1.432 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.905 -3.744 0.440 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.789 -3.494 2.686 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.107 -3.901 1.604 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.320 -6.372 2.543 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.180 -3.307 4.084 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.814 -4.087 5.538 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.135 -7.357 4.414 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.789 -6.367 5.723 1.00 0.00 H new ATOM 171 N VAL A 13 -4.448 -6.230 -2.902 1.00 0.00 N ATOM 172 CA VAL A 13 -4.342 -7.113 -4.056 1.00 0.00 C ATOM 173 C VAL A 13 -3.813 -8.484 -3.646 1.00 0.00 C ATOM 174 O VAL A 13 -3.191 -8.630 -2.594 1.00 0.00 O ATOM 175 CB VAL A 13 -3.418 -6.520 -5.136 1.00 0.00 C ATOM 176 CG1 VAL A 13 -3.494 -7.343 -6.414 1.00 0.00 C ATOM 177 CG2 VAL A 13 -3.773 -5.064 -5.406 1.00 0.00 C ATOM 0 H VAL A 13 -3.558 -5.849 -2.580 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.345 -7.219 -4.469 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.392 -6.555 -4.769 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.835 -6.909 -7.166 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.183 -8.367 -6.206 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.518 -7.343 -6.786 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.109 -4.664 -6.172 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.805 -4.999 -5.751 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.660 -4.486 -4.489 1.00 0.00 H new ATOM 187 N THR A 14 -4.063 -9.486 -4.482 1.00 0.00 N ATOM 188 CA THR A 14 -3.611 -10.843 -4.204 1.00 0.00 C ATOM 189 C THR A 14 -2.315 -11.151 -4.945 1.00 0.00 C ATOM 190 O THR A 14 -1.752 -10.288 -5.620 1.00 0.00 O ATOM 191 CB THR A 14 -4.690 -11.853 -4.601 1.00 0.00 C ATOM 192 OG1 THR A 14 -4.918 -11.820 -5.999 1.00 0.00 O ATOM 193 CG2 THR A 14 -6.016 -11.613 -3.914 1.00 0.00 C ATOM 0 H THR A 14 -4.576 -9.383 -5.357 1.00 0.00 H new ATOM 0 HA THR A 14 -3.422 -10.922 -3.133 1.00 0.00 H new ATOM 0 HB THR A 14 -4.307 -12.824 -4.286 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.610 -12.474 -6.233 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.736 -12.364 -4.240 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.884 -11.682 -2.834 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.385 -10.620 -4.172 1.00 0.00 H new ATOM 201 N CYS A 15 -1.845 -12.386 -4.810 1.00 0.00 N ATOM 202 CA CYS A 15 -0.614 -12.816 -5.463 1.00 0.00 C ATOM 203 C CYS A 15 -0.879 -13.211 -6.916 1.00 0.00 C ATOM 204 O CYS A 15 -1.855 -13.903 -7.209 1.00 0.00 O ATOM 205 CB CYS A 15 -0.008 -13.996 -4.702 1.00 0.00 C ATOM 206 SG CYS A 15 1.554 -14.603 -5.383 1.00 0.00 S ATOM 0 H CYS A 15 -2.299 -13.109 -4.252 1.00 0.00 H new ATOM 0 HA CYS A 15 0.090 -11.983 -5.457 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.153 -13.700 -3.665 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.728 -14.814 -4.692 1.00 0.00 H new ATOM 211 N PRO A 16 -0.012 -12.778 -7.850 1.00 0.00 N ATOM 212 CA PRO A 16 -0.167 -13.096 -9.275 1.00 0.00 C ATOM 213 C PRO A 16 -0.024 -14.587 -9.556 1.00 0.00 C ATOM 214 O PRO A 16 -0.617 -15.111 -10.499 1.00 0.00 O ATOM 215 CB PRO A 16 0.967 -12.313 -9.946 1.00 0.00 C ATOM 216 CG PRO A 16 1.968 -12.087 -8.867 1.00 0.00 C ATOM 217 CD PRO A 16 1.180 -11.949 -7.596 1.00 0.00 C ATOM 0 HA PRO A 16 -1.158 -12.831 -9.643 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.399 -12.875 -10.774 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.607 -11.369 -10.355 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.669 -12.920 -8.804 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.556 -11.190 -9.061 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.742 -12.305 -6.733 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.914 -10.911 -7.397 1.00 0.00 H new ATOM 225 N ASN A 17 0.770 -15.266 -8.735 1.00 0.00 N ATOM 226 CA ASN A 17 0.994 -16.699 -8.895 1.00 0.00 C ATOM 227 C ASN A 17 0.248 -17.506 -7.830 1.00 0.00 C ATOM 228 O ASN A 17 0.196 -18.733 -7.899 1.00 0.00 O ATOM 229 CB ASN A 17 2.490 -17.010 -8.832 1.00 0.00 C ATOM 230 CG ASN A 17 2.935 -17.938 -9.946 1.00 0.00 C ATOM 231 OD1 ASN A 17 2.498 -19.086 -10.024 1.00 0.00 O ATOM 232 ND2 ASN A 17 3.809 -17.444 -10.815 1.00 0.00 N ATOM 0 H ASN A 17 1.270 -14.847 -7.951 1.00 0.00 H new ATOM 0 HA ASN A 17 0.605 -16.989 -9.871 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.055 -16.079 -8.891 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.724 -17.464 -7.869 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.145 -18.022 -11.585 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.145 -16.486 -10.712 1.00 0.00 H new ATOM 239 N HIS A 18 -0.328 -16.814 -6.849 1.00 0.00 N ATOM 240 CA HIS A 18 -1.067 -17.477 -5.780 1.00 0.00 C ATOM 241 C HIS A 18 -2.427 -16.816 -5.570 1.00 0.00 C ATOM 242 O HIS A 18 -2.613 -16.048 -4.625 1.00 0.00 O ATOM 243 CB HIS A 18 -0.269 -17.448 -4.474 1.00 0.00 C ATOM 244 CG HIS A 18 0.955 -18.307 -4.494 1.00 0.00 C ATOM 245 ND1 HIS A 18 2.199 -17.792 -4.203 1.00 0.00 N ATOM 246 CD2 HIS A 18 1.069 -19.631 -4.756 1.00 0.00 C ATOM 247 CE1 HIS A 18 3.033 -18.816 -4.289 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.394 -19.947 -4.623 1.00 0.00 N ATOM 0 H HIS A 18 -0.297 -15.797 -6.773 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.224 -18.514 -6.075 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.024 -16.420 -4.261 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.915 -17.771 -3.658 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.269 -20.307 -5.019 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.096 -18.749 -4.112 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.815 -20.867 -4.753 1.00 0.00 H new ATOM 256 N PRO A 19 -3.399 -17.107 -6.450 1.00 0.00 N ATOM 257 CA PRO A 19 -4.747 -16.537 -6.351 1.00 0.00 C ATOM 258 C PRO A 19 -5.501 -17.050 -5.130 1.00 0.00 C ATOM 259 O PRO A 19 -6.316 -16.336 -4.546 1.00 0.00 O ATOM 260 CB PRO A 19 -5.430 -17.006 -7.639 1.00 0.00 C ATOM 261 CG PRO A 19 -4.686 -18.233 -8.040 1.00 0.00 C ATOM 262 CD PRO A 19 -3.265 -18.015 -7.603 1.00 0.00 C ATOM 0 HA PRO A 19 -4.724 -15.453 -6.238 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.485 -17.221 -7.471 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.379 -16.242 -8.414 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.109 -19.119 -7.566 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.744 -18.390 -9.117 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.782 -18.951 -7.323 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.664 -17.571 -8.397 1.00 0.00 H new ATOM 270 N ASP A 20 -5.223 -18.292 -4.750 1.00 0.00 N ATOM 271 CA ASP A 20 -5.874 -18.903 -3.596 1.00 0.00 C ATOM 272 C ASP A 20 -5.370 -18.284 -2.296 1.00 0.00 C ATOM 273 O ASP A 20 -6.102 -18.208 -1.309 1.00 0.00 O ATOM 274 CB ASP A 20 -5.628 -20.412 -3.585 1.00 0.00 C ATOM 275 CG ASP A 20 -6.254 -21.108 -4.778 1.00 0.00 C ATOM 276 OD1 ASP A 20 -7.425 -20.809 -5.092 1.00 0.00 O ATOM 277 OD2 ASP A 20 -5.573 -21.952 -5.398 1.00 0.00 O ATOM 0 H ASP A 20 -4.551 -18.896 -5.224 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.945 -18.717 -3.674 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.555 -20.602 -3.579 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.033 -20.837 -2.666 1.00 0.00 H new ATOM 282 N ALA A 21 -4.115 -17.843 -2.303 1.00 0.00 N ATOM 283 CA ALA A 21 -3.515 -17.230 -1.125 1.00 0.00 C ATOM 284 C ALA A 21 -3.747 -15.723 -1.113 1.00 0.00 C ATOM 285 O ALA A 21 -4.371 -15.175 -2.022 1.00 0.00 O ATOM 286 CB ALA A 21 -2.026 -17.539 -1.072 1.00 0.00 C ATOM 0 H ALA A 21 -3.495 -17.899 -3.111 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.994 -17.651 -0.241 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.589 -17.075 -0.187 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.880 -18.618 -1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.541 -17.145 -1.965 1.00 0.00 H new ATOM 292 N ILE A 22 -3.243 -15.059 -0.078 1.00 0.00 N ATOM 293 CA ILE A 22 -3.398 -13.616 0.049 1.00 0.00 C ATOM 294 C ILE A 22 -2.190 -12.992 0.742 1.00 0.00 C ATOM 295 O ILE A 22 -1.824 -13.385 1.850 1.00 0.00 O ATOM 296 CB ILE A 22 -4.675 -13.254 0.835 1.00 0.00 C ATOM 297 CG1 ILE A 22 -4.883 -11.740 0.851 1.00 0.00 C ATOM 298 CG2 ILE A 22 -4.600 -13.800 2.253 1.00 0.00 C ATOM 299 CD1 ILE A 22 -6.331 -11.327 0.699 1.00 0.00 C ATOM 0 H ILE A 22 -2.725 -15.497 0.683 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.479 -13.216 -0.962 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.529 -13.712 0.336 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.495 -11.338 1.787 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.300 -11.293 0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.509 -13.535 2.793 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.500 -14.885 2.220 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.737 -13.371 2.763 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.403 -10.240 0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.718 -11.699 -0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.916 -11.745 1.518 1.00 0.00 H new ATOM 311 N LEU A 23 -1.578 -12.013 0.083 1.00 0.00 N ATOM 312 CA LEU A 23 -0.414 -11.331 0.636 1.00 0.00 C ATOM 313 C LEU A 23 -0.800 -10.521 1.872 1.00 0.00 C ATOM 314 O LEU A 23 -1.411 -9.458 1.763 1.00 0.00 O ATOM 315 CB LEU A 23 0.209 -10.411 -0.418 1.00 0.00 C ATOM 316 CG LEU A 23 1.519 -10.924 -1.020 1.00 0.00 C ATOM 317 CD1 LEU A 23 1.341 -11.257 -2.494 1.00 0.00 C ATOM 318 CD2 LEU A 23 2.630 -9.902 -0.835 1.00 0.00 C ATOM 0 H LEU A 23 -1.869 -11.675 -0.834 1.00 0.00 H new ATOM 0 HA LEU A 23 0.317 -12.084 0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.511 -10.263 -1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.389 -9.435 0.032 1.00 0.00 H new ATOM 0 HG LEU A 23 1.800 -11.837 -0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.285 -11.620 -2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.578 -12.028 -2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.032 -10.362 -3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.553 -10.285 -1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.355 -8.971 -1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.780 -9.716 0.228 1.00 0.00 H new ATOM 330 N VAL A 24 -0.438 -11.029 3.047 1.00 0.00 N ATOM 331 CA VAL A 24 -0.745 -10.350 4.300 1.00 0.00 C ATOM 332 C VAL A 24 -0.147 -8.944 4.318 1.00 0.00 C ATOM 333 O VAL A 24 0.266 -8.423 3.281 1.00 0.00 O ATOM 334 CB VAL A 24 -0.239 -11.169 5.515 1.00 0.00 C ATOM 335 CG1 VAL A 24 1.193 -10.800 5.890 1.00 0.00 C ATOM 336 CG2 VAL A 24 -1.174 -11.005 6.706 1.00 0.00 C ATOM 0 H VAL A 24 0.068 -11.908 3.156 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.829 -10.264 4.375 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.237 -12.219 5.223 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.510 -11.396 6.746 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.853 -10.998 5.045 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.241 -9.742 6.147 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.799 -11.589 7.546 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.223 -9.953 6.988 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.171 -11.356 6.437 1.00 0.00 H new ATOM 346 N GLU A 25 -0.103 -8.336 5.497 1.00 0.00 N ATOM 347 CA GLU A 25 0.445 -6.993 5.642 1.00 0.00 C ATOM 348 C GLU A 25 1.033 -6.793 7.037 1.00 0.00 C ATOM 349 O GLU A 25 0.819 -7.607 7.934 1.00 0.00 O ATOM 350 CB GLU A 25 -0.639 -5.945 5.378 1.00 0.00 C ATOM 351 CG GLU A 25 -0.136 -4.727 4.619 1.00 0.00 C ATOM 352 CD GLU A 25 -0.350 -3.434 5.382 1.00 0.00 C ATOM 353 OE1 GLU A 25 -1.521 -3.043 5.570 1.00 0.00 O ATOM 354 OE2 GLU A 25 0.653 -2.812 5.789 1.00 0.00 O ATOM 0 H GLU A 25 -0.440 -8.751 6.366 1.00 0.00 H new ATOM 0 HA GLU A 25 1.243 -6.872 4.909 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.449 -6.406 4.812 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.059 -5.621 6.330 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.927 -4.848 4.408 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.647 -4.666 3.658 1.00 0.00 H new ATOM 361 N ASP A 26 1.775 -5.702 7.208 1.00 0.00 N ATOM 362 CA ASP A 26 2.393 -5.392 8.493 1.00 0.00 C ATOM 363 C ASP A 26 3.374 -6.485 8.905 1.00 0.00 C ATOM 364 O ASP A 26 3.001 -7.447 9.576 1.00 0.00 O ATOM 365 CB ASP A 26 1.322 -5.219 9.570 1.00 0.00 C ATOM 366 CG ASP A 26 0.491 -3.968 9.365 1.00 0.00 C ATOM 367 OD1 ASP A 26 0.963 -2.874 9.737 1.00 0.00 O ATOM 368 OD2 ASP A 26 -0.633 -4.082 8.832 1.00 0.00 O ATOM 0 H ASP A 26 1.962 -5.019 6.474 1.00 0.00 H new ATOM 0 HA ASP A 26 2.944 -4.458 8.385 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.667 -6.090 9.570 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.799 -5.178 10.549 1.00 0.00 H new ATOM 373 N TYR A 27 4.631 -6.328 8.502 1.00 0.00 N ATOM 374 CA TYR A 27 5.668 -7.300 8.832 1.00 0.00 C ATOM 375 C TYR A 27 6.676 -6.709 9.812 1.00 0.00 C ATOM 376 O TYR A 27 6.811 -7.182 10.941 1.00 0.00 O ATOM 377 CB TYR A 27 6.385 -7.764 7.563 1.00 0.00 C ATOM 378 CG TYR A 27 7.040 -9.120 7.699 1.00 0.00 C ATOM 379 CD1 TYR A 27 6.332 -10.209 8.189 1.00 0.00 C ATOM 380 CD2 TYR A 27 8.368 -9.311 7.336 1.00 0.00 C ATOM 381 CE1 TYR A 27 6.927 -11.450 8.315 1.00 0.00 C ATOM 382 CE2 TYR A 27 8.972 -10.548 7.460 1.00 0.00 C ATOM 383 CZ TYR A 27 8.247 -11.615 7.949 1.00 0.00 C ATOM 384 OH TYR A 27 8.842 -12.848 8.074 1.00 0.00 O ATOM 0 H TYR A 27 4.956 -5.537 7.946 1.00 0.00 H new ATOM 0 HA TYR A 27 5.189 -8.158 9.304 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.668 -7.797 6.742 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.144 -7.029 7.295 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.299 -10.084 8.477 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.938 -8.478 6.950 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.361 -12.287 8.698 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.006 -10.679 7.176 1.00 0.00 H new ATOM 0 HH TYR A 27 9.773 -12.794 7.772 1.00 0.00 H new ATOM 394 N ARG A 28 7.380 -5.669 9.374 1.00 0.00 N ATOM 395 CA ARG A 28 8.376 -5.012 10.214 1.00 0.00 C ATOM 396 C ARG A 28 8.365 -3.504 10.005 1.00 0.00 C ATOM 397 O ARG A 28 9.331 -2.809 10.320 1.00 0.00 O ATOM 398 CB ARG A 28 9.764 -5.564 9.912 1.00 0.00 C ATOM 399 CG ARG A 28 10.422 -6.258 11.094 1.00 0.00 C ATOM 400 CD ARG A 28 10.447 -5.365 12.326 1.00 0.00 C ATOM 401 NE ARG A 28 11.791 -5.241 12.885 1.00 0.00 N ATOM 402 CZ ARG A 28 12.726 -4.428 12.396 1.00 0.00 C ATOM 403 NH1 ARG A 28 12.468 -3.666 11.342 1.00 0.00 N ATOM 404 NH2 ARG A 28 13.923 -4.379 12.965 1.00 0.00 N ATOM 0 H ARG A 28 7.279 -5.264 8.443 1.00 0.00 H new ATOM 0 HA ARG A 28 8.124 -5.215 11.255 1.00 0.00 H new ATOM 0 HB2 ARG A 28 9.692 -6.269 9.084 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.405 -4.747 9.580 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.884 -7.178 11.322 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.441 -6.542 10.829 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.070 -4.376 12.065 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.776 -5.772 13.082 1.00 0.00 H new ATOM 0 HE ARG A 28 12.027 -5.810 13.698 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.549 -3.700 10.901 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.188 -3.046 10.973 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.127 -4.963 13.776 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.640 -3.757 12.592 1.00 0.00 H new ATOM 418 N ALA A 29 7.263 -3.015 9.471 1.00 0.00 N ATOM 419 CA ALA A 29 7.096 -1.589 9.206 1.00 0.00 C ATOM 420 C ALA A 29 5.738 -1.308 8.573 1.00 0.00 C ATOM 421 O ALA A 29 5.105 -0.292 8.861 1.00 0.00 O ATOM 422 CB ALA A 29 8.214 -1.081 8.307 1.00 0.00 C ATOM 0 H ALA A 29 6.460 -3.586 9.208 1.00 0.00 H new ATOM 0 HA ALA A 29 7.144 -1.060 10.158 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.075 -0.016 8.119 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.175 -1.240 8.796 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.194 -1.622 7.361 1.00 0.00 H new ATOM 428 N GLY A 30 5.300 -2.214 7.707 1.00 0.00 N ATOM 429 CA GLY A 30 4.020 -2.048 7.042 1.00 0.00 C ATOM 430 C GLY A 30 4.055 -2.512 5.600 1.00 0.00 C ATOM 431 O GLY A 30 3.607 -1.800 4.700 1.00 0.00 O ATOM 0 H GLY A 30 5.808 -3.061 7.453 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.257 -2.608 7.583 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.729 -0.998 7.076 1.00 0.00 H new ATOM 435 N ASP A 31 4.590 -3.708 5.377 1.00 0.00 N ATOM 436 CA ASP A 31 4.685 -4.268 4.033 1.00 0.00 C ATOM 437 C ASP A 31 3.816 -5.516 3.900 1.00 0.00 C ATOM 438 O ASP A 31 3.305 -6.037 4.890 1.00 0.00 O ATOM 439 CB ASP A 31 6.139 -4.606 3.702 1.00 0.00 C ATOM 440 CG ASP A 31 6.760 -5.544 4.718 1.00 0.00 C ATOM 441 OD1 ASP A 31 6.842 -5.164 5.905 1.00 0.00 O ATOM 442 OD2 ASP A 31 7.164 -6.659 4.327 1.00 0.00 O ATOM 0 H ASP A 31 4.965 -4.309 6.111 1.00 0.00 H new ATOM 0 HA ASP A 31 4.323 -3.520 3.328 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.187 -5.062 2.713 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.722 -3.686 3.657 1.00 0.00 H new ATOM 447 N MET A 32 3.657 -5.988 2.667 1.00 0.00 N ATOM 448 CA MET A 32 2.850 -7.176 2.402 1.00 0.00 C ATOM 449 C MET A 32 3.739 -8.393 2.169 1.00 0.00 C ATOM 450 O MET A 32 4.875 -8.263 1.717 1.00 0.00 O ATOM 451 CB MET A 32 1.949 -6.944 1.186 1.00 0.00 C ATOM 452 CG MET A 32 1.347 -5.550 1.128 1.00 0.00 C ATOM 453 SD MET A 32 -0.068 -5.448 0.015 1.00 0.00 S ATOM 454 CE MET A 32 -1.269 -6.433 0.905 1.00 0.00 C ATOM 0 H MET A 32 4.075 -5.568 1.837 1.00 0.00 H new ATOM 0 HA MET A 32 2.226 -7.366 3.275 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.527 -7.119 0.278 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.143 -7.678 1.197 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.038 -5.250 2.129 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.110 -4.842 0.804 1.00 0.00 H new ATOM 0 HE1 MET A 32 -2.177 -6.525 0.310 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.858 -7.424 1.095 1.00 0.00 H new ATOM 0 HE3 MET A 32 -1.504 -5.950 1.854 1.00 0.00 H new ATOM 464 N ILE A 33 3.216 -9.575 2.482 1.00 0.00 N ATOM 465 CA ILE A 33 3.966 -10.815 2.308 1.00 0.00 C ATOM 466 C ILE A 33 3.041 -11.966 1.914 1.00 0.00 C ATOM 467 O ILE A 33 1.943 -12.097 2.451 1.00 0.00 O ATOM 468 CB ILE A 33 4.720 -11.199 3.600 1.00 0.00 C ATOM 469 CG1 ILE A 33 5.733 -10.114 3.972 1.00 0.00 C ATOM 470 CG2 ILE A 33 5.414 -12.547 3.444 1.00 0.00 C ATOM 471 CD1 ILE A 33 6.899 -10.019 3.013 1.00 0.00 C ATOM 0 H ILE A 33 2.276 -9.700 2.857 1.00 0.00 H new ATOM 0 HA ILE A 33 4.688 -10.641 1.510 1.00 0.00 H new ATOM 0 HB ILE A 33 3.991 -11.284 4.406 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.224 -9.151 4.008 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.113 -10.312 4.974 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.938 -12.795 4.367 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.672 -13.316 3.230 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.129 -12.495 2.623 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.575 -9.229 3.340 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.433 -10.969 2.994 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.530 -9.790 2.013 1.00 0.00 H new ATOM 483 N CYS A 34 3.488 -12.807 0.982 1.00 0.00 N ATOM 484 CA CYS A 34 2.686 -13.943 0.543 1.00 0.00 C ATOM 485 C CYS A 34 3.091 -15.205 1.302 1.00 0.00 C ATOM 486 O CYS A 34 4.253 -15.603 1.276 1.00 0.00 O ATOM 487 CB CYS A 34 2.858 -14.160 -0.958 1.00 0.00 C ATOM 488 SG CYS A 34 1.778 -15.426 -1.665 1.00 0.00 S ATOM 0 H CYS A 34 4.394 -12.723 0.521 1.00 0.00 H new ATOM 0 HA CYS A 34 1.638 -13.729 0.752 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.674 -13.216 -1.472 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.894 -14.434 -1.156 1.00 0.00 H new ATOM 493 N PRO A 35 2.140 -15.855 1.995 1.00 0.00 N ATOM 494 CA PRO A 35 2.426 -17.073 2.761 1.00 0.00 C ATOM 495 C PRO A 35 2.847 -18.245 1.879 1.00 0.00 C ATOM 496 O PRO A 35 3.300 -19.274 2.379 1.00 0.00 O ATOM 497 CB PRO A 35 1.099 -17.380 3.462 1.00 0.00 C ATOM 498 CG PRO A 35 0.063 -16.692 2.642 1.00 0.00 C ATOM 499 CD PRO A 35 0.724 -15.461 2.093 1.00 0.00 C ATOM 0 HA PRO A 35 3.262 -16.926 3.445 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.916 -18.454 3.509 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.100 -17.011 4.488 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.291 -17.337 1.838 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.805 -16.432 3.247 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.315 -15.184 1.121 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.589 -14.603 2.752 1.00 0.00 H new ATOM 507 N GLU A 36 2.697 -18.090 0.566 1.00 0.00 N ATOM 508 CA GLU A 36 3.065 -19.147 -0.369 1.00 0.00 C ATOM 509 C GLU A 36 4.471 -18.930 -0.926 1.00 0.00 C ATOM 510 O GLU A 36 5.420 -19.589 -0.499 1.00 0.00 O ATOM 511 CB GLU A 36 2.049 -19.222 -1.508 1.00 0.00 C ATOM 512 CG GLU A 36 0.654 -19.615 -1.053 1.00 0.00 C ATOM 513 CD GLU A 36 0.475 -21.117 -0.951 1.00 0.00 C ATOM 514 OE1 GLU A 36 1.030 -21.719 -0.009 1.00 0.00 O ATOM 515 OE2 GLU A 36 -0.220 -21.692 -1.815 1.00 0.00 O ATOM 0 H GLU A 36 2.325 -17.247 0.128 1.00 0.00 H new ATOM 0 HA GLU A 36 3.061 -20.093 0.173 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.001 -18.253 -2.005 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.397 -19.943 -2.248 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.451 -19.162 -0.082 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.079 -19.212 -1.752 1.00 0.00 H new ATOM 522 N CYS A 37 4.609 -18.009 -1.879 1.00 0.00 N ATOM 523 CA CYS A 37 5.914 -17.730 -2.476 1.00 0.00 C ATOM 524 C CYS A 37 6.811 -16.955 -1.516 1.00 0.00 C ATOM 525 O CYS A 37 8.028 -16.919 -1.690 1.00 0.00 O ATOM 526 CB CYS A 37 5.777 -16.940 -3.784 1.00 0.00 C ATOM 527 SG CYS A 37 4.844 -15.404 -3.648 1.00 0.00 S ATOM 0 H CYS A 37 3.842 -17.449 -2.251 1.00 0.00 H new ATOM 0 HA CYS A 37 6.371 -18.696 -2.691 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.774 -16.710 -4.159 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.296 -17.576 -4.527 1.00 0.00 H new ATOM 532 N GLY A 38 6.208 -16.325 -0.513 1.00 0.00 N ATOM 533 CA GLY A 38 6.986 -15.554 0.435 1.00 0.00 C ATOM 534 C GLY A 38 7.603 -14.334 -0.213 1.00 0.00 C ATOM 535 O GLY A 38 8.810 -14.111 -0.114 1.00 0.00 O ATOM 0 H GLY A 38 5.203 -16.335 -0.342 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.348 -15.244 1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.773 -16.180 0.856 1.00 0.00 H new ATOM 539 N LEU A 39 6.772 -13.542 -0.885 1.00 0.00 N ATOM 540 CA LEU A 39 7.246 -12.339 -1.558 1.00 0.00 C ATOM 541 C LEU A 39 6.922 -11.103 -0.730 1.00 0.00 C ATOM 542 O LEU A 39 6.263 -11.198 0.301 1.00 0.00 O ATOM 543 CB LEU A 39 6.631 -12.232 -2.960 1.00 0.00 C ATOM 544 CG LEU A 39 5.273 -11.524 -3.037 1.00 0.00 C ATOM 545 CD1 LEU A 39 5.445 -10.102 -3.545 1.00 0.00 C ATOM 546 CD2 LEU A 39 4.315 -12.297 -3.931 1.00 0.00 C ATOM 0 H LEU A 39 5.770 -13.712 -0.977 1.00 0.00 H new ATOM 0 HA LEU A 39 8.329 -12.404 -1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.333 -11.704 -3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.520 -13.238 -3.366 1.00 0.00 H new ATOM 0 HG LEU A 39 4.848 -11.485 -2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.472 -9.613 -3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.095 -9.549 -2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.891 -10.122 -4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.357 -11.778 -3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.732 -12.369 -4.935 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.168 -13.298 -3.527 1.00 0.00 H new ATOM 558 N VAL A 40 7.392 -9.945 -1.181 1.00 0.00 N ATOM 559 CA VAL A 40 7.146 -8.700 -0.464 1.00 0.00 C ATOM 560 C VAL A 40 6.684 -7.597 -1.411 1.00 0.00 C ATOM 561 O VAL A 40 7.453 -7.114 -2.242 1.00 0.00 O ATOM 562 CB VAL A 40 8.409 -8.221 0.282 1.00 0.00 C ATOM 563 CG1 VAL A 40 8.065 -7.096 1.246 1.00 0.00 C ATOM 564 CG2 VAL A 40 9.073 -9.378 1.015 1.00 0.00 C ATOM 0 H VAL A 40 7.942 -9.843 -2.034 1.00 0.00 H new ATOM 0 HA VAL A 40 6.358 -8.906 0.260 1.00 0.00 H new ATOM 0 HB VAL A 40 9.116 -7.836 -0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.968 -6.771 1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.643 -6.258 0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.337 -7.452 1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.961 -9.018 1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.375 -9.799 1.739 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.359 -10.147 0.298 1.00 0.00 H new ATOM 574 N VAL A 41 5.423 -7.198 -1.276 1.00 0.00 N ATOM 575 CA VAL A 41 4.860 -6.147 -2.116 1.00 0.00 C ATOM 576 C VAL A 41 4.906 -4.797 -1.408 1.00 0.00 C ATOM 577 O VAL A 41 4.540 -4.684 -0.238 1.00 0.00 O ATOM 578 CB VAL A 41 3.402 -6.456 -2.508 1.00 0.00 C ATOM 579 CG1 VAL A 41 2.879 -5.419 -3.492 1.00 0.00 C ATOM 580 CG2 VAL A 41 3.291 -7.854 -3.091 1.00 0.00 C ATOM 0 H VAL A 41 4.772 -7.586 -0.593 1.00 0.00 H new ATOM 0 HA VAL A 41 5.469 -6.106 -3.019 1.00 0.00 H new ATOM 0 HB VAL A 41 2.788 -6.411 -1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.848 -5.655 -3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.919 -4.431 -3.034 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.495 -5.428 -4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.254 -8.054 -3.362 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.919 -7.929 -3.979 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.620 -8.584 -2.351 1.00 0.00 H new ATOM 590 N GLY A 42 5.361 -3.776 -2.126 1.00 0.00 N ATOM 591 CA GLY A 42 5.449 -2.446 -1.553 1.00 0.00 C ATOM 592 C GLY A 42 6.670 -2.273 -0.672 1.00 0.00 C ATOM 593 O GLY A 42 6.603 -1.627 0.373 1.00 0.00 O ATOM 0 H GLY A 42 5.671 -3.846 -3.095 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.477 -1.709 -2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.551 -2.246 -0.968 1.00 0.00 H new ATOM 597 N ASP A 43 7.788 -2.855 -1.095 1.00 0.00 N ATOM 598 CA ASP A 43 9.031 -2.763 -0.338 1.00 0.00 C ATOM 599 C ASP A 43 10.133 -2.124 -1.177 1.00 0.00 C ATOM 600 O ASP A 43 10.568 -2.687 -2.180 1.00 0.00 O ATOM 601 CB ASP A 43 9.470 -4.154 0.129 1.00 0.00 C ATOM 602 CG ASP A 43 9.959 -4.155 1.563 1.00 0.00 C ATOM 603 OD1 ASP A 43 9.127 -3.956 2.475 1.00 0.00 O ATOM 604 OD2 ASP A 43 11.173 -4.355 1.776 1.00 0.00 O ATOM 0 H ASP A 43 7.858 -3.395 -1.957 1.00 0.00 H new ATOM 0 HA ASP A 43 8.852 -2.133 0.533 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.634 -4.847 0.033 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.264 -4.519 -0.523 1.00 0.00 H new ATOM 609 N ARG A 44 10.580 -0.944 -0.758 1.00 0.00 N ATOM 610 CA ARG A 44 11.632 -0.229 -1.470 1.00 0.00 C ATOM 611 C ARG A 44 12.974 -0.389 -0.763 1.00 0.00 C ATOM 612 O ARG A 44 13.261 0.307 0.210 1.00 0.00 O ATOM 613 CB ARG A 44 11.279 1.255 -1.589 1.00 0.00 C ATOM 614 CG ARG A 44 10.781 1.868 -0.290 1.00 0.00 C ATOM 615 CD ARG A 44 10.581 3.369 -0.423 1.00 0.00 C ATOM 616 NE ARG A 44 10.106 3.969 0.822 1.00 0.00 N ATOM 617 CZ ARG A 44 9.525 5.165 0.895 1.00 0.00 C ATOM 618 NH1 ARG A 44 9.343 5.890 -0.202 1.00 0.00 N ATOM 619 NH2 ARG A 44 9.124 5.635 2.068 1.00 0.00 N ATOM 0 H ARG A 44 10.230 -0.463 0.071 1.00 0.00 H new ATOM 0 HA ARG A 44 11.715 -0.657 -2.469 1.00 0.00 H new ATOM 0 HB2 ARG A 44 12.159 1.803 -1.926 1.00 0.00 H new ATOM 0 HB3 ARG A 44 10.514 1.378 -2.356 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.840 1.399 -0.002 1.00 0.00 H new ATOM 0 HG3 ARG A 44 11.496 1.664 0.507 1.00 0.00 H new ATOM 0 HD2 ARG A 44 11.522 3.836 -0.715 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.864 3.570 -1.219 1.00 0.00 H new ATOM 0 HE ARG A 44 10.227 3.441 1.686 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.649 5.532 -1.107 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.897 6.805 -0.140 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.261 5.081 2.913 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.679 6.551 2.125 1.00 0.00 H new ATOM 633 N VAL A 45 13.792 -1.311 -1.259 1.00 0.00 N ATOM 634 CA VAL A 45 15.104 -1.563 -0.676 1.00 0.00 C ATOM 635 C VAL A 45 16.135 -1.869 -1.756 1.00 0.00 C ATOM 636 O VAL A 45 15.840 -2.557 -2.734 1.00 0.00 O ATOM 637 CB VAL A 45 15.059 -2.736 0.322 1.00 0.00 C ATOM 638 CG1 VAL A 45 16.380 -2.857 1.064 1.00 0.00 C ATOM 639 CG2 VAL A 45 13.905 -2.563 1.298 1.00 0.00 C ATOM 0 H VAL A 45 13.569 -1.896 -2.064 1.00 0.00 H new ATOM 0 HA VAL A 45 15.395 -0.656 -0.146 1.00 0.00 H new ATOM 0 HB VAL A 45 14.897 -3.658 -0.237 1.00 0.00 H new ATOM 0 HG11 VAL A 45 16.329 -3.691 1.764 1.00 0.00 H new ATOM 0 HG12 VAL A 45 17.184 -3.032 0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 45 16.576 -1.935 1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 45 13.889 -3.401 1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 45 14.033 -1.633 1.852 1.00 0.00 H new ATOM 0 HG23 VAL A 45 12.965 -2.531 0.748 1.00 0.00 H new ATOM 649 N ILE A 46 17.347 -1.355 -1.572 1.00 0.00 N ATOM 650 CA ILE A 46 18.423 -1.574 -2.531 1.00 0.00 C ATOM 651 C ILE A 46 19.753 -1.806 -1.820 1.00 0.00 C ATOM 652 O ILE A 46 20.793 -1.295 -2.237 1.00 0.00 O ATOM 653 CB ILE A 46 18.560 -0.382 -3.502 1.00 0.00 C ATOM 654 CG1 ILE A 46 19.583 -0.696 -4.594 1.00 0.00 C ATOM 655 CG2 ILE A 46 18.952 0.880 -2.747 1.00 0.00 C ATOM 656 CD1 ILE A 46 19.173 -0.208 -5.966 1.00 0.00 C ATOM 0 H ILE A 46 17.608 -0.784 -0.768 1.00 0.00 H new ATOM 0 HA ILE A 46 18.166 -2.465 -3.103 1.00 0.00 H new ATOM 0 HB ILE A 46 17.593 -0.211 -3.976 1.00 0.00 H new ATOM 0 HG12 ILE A 46 20.538 -0.243 -4.327 1.00 0.00 H new ATOM 0 HG13 ILE A 46 19.741 -1.774 -4.633 1.00 0.00 H new ATOM 0 HG21 ILE A 46 19.044 1.710 -3.448 1.00 0.00 H new ATOM 0 HG22 ILE A 46 18.187 1.114 -2.007 1.00 0.00 H new ATOM 0 HG23 ILE A 46 19.906 0.722 -2.245 1.00 0.00 H new ATOM 0 HD11 ILE A 46 19.946 -0.466 -6.690 1.00 0.00 H new ATOM 0 HD12 ILE A 46 18.234 -0.680 -6.255 1.00 0.00 H new ATOM 0 HD13 ILE A 46 19.043 0.874 -5.944 1.00 0.00 H new ATOM 668 N ASP A 47 19.712 -2.582 -0.741 1.00 0.00 N ATOM 669 CA ASP A 47 20.914 -2.884 0.029 1.00 0.00 C ATOM 670 C ASP A 47 20.624 -3.930 1.100 1.00 0.00 C ATOM 671 O ASP A 47 20.522 -3.609 2.285 1.00 0.00 O ATOM 672 CB ASP A 47 21.463 -1.610 0.675 1.00 0.00 C ATOM 673 CG ASP A 47 20.389 -0.815 1.391 1.00 0.00 C ATOM 674 OD1 ASP A 47 19.724 0.012 0.733 1.00 0.00 O ATOM 675 OD2 ASP A 47 20.214 -1.018 2.611 1.00 0.00 O ATOM 0 H ASP A 47 18.861 -3.013 -0.380 1.00 0.00 H new ATOM 0 HA ASP A 47 21.663 -3.288 -0.653 1.00 0.00 H new ATOM 0 HB2 ASP A 47 22.248 -1.875 1.383 1.00 0.00 H new ATOM 0 HB3 ASP A 47 21.922 -0.986 -0.092 1.00 0.00 H new ATOM 680 N VAL A 48 20.492 -5.182 0.676 1.00 0.00 N ATOM 681 CA VAL A 48 20.213 -6.276 1.599 1.00 0.00 C ATOM 682 C VAL A 48 21.503 -6.857 2.168 1.00 0.00 C ATOM 683 O VAL A 48 22.577 -6.696 1.589 1.00 0.00 O ATOM 684 CB VAL A 48 19.417 -7.402 0.912 1.00 0.00 C ATOM 685 CG1 VAL A 48 18.964 -8.435 1.932 1.00 0.00 C ATOM 686 CG2 VAL A 48 18.227 -6.830 0.156 1.00 0.00 C ATOM 0 H VAL A 48 20.574 -5.465 -0.301 1.00 0.00 H new ATOM 0 HA VAL A 48 19.615 -5.860 2.410 1.00 0.00 H new ATOM 0 HB VAL A 48 20.070 -7.898 0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 48 18.403 -9.222 1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 48 19.835 -8.868 2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 48 18.328 -7.956 2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 48 17.677 -7.640 -0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 48 17.571 -6.307 0.852 1.00 0.00 H new ATOM 0 HG23 VAL A 48 18.580 -6.132 -0.604 1.00 0.00 H new ATOM 696 N GLY A 49 21.390 -7.532 3.307 1.00 0.00 N ATOM 697 CA GLY A 49 22.554 -8.128 3.935 1.00 0.00 C ATOM 698 C GLY A 49 22.646 -9.621 3.692 1.00 0.00 C ATOM 699 O GLY A 49 22.210 -10.115 2.652 1.00 0.00 O ATOM 0 H GLY A 49 20.513 -7.677 3.806 1.00 0.00 H new ATOM 0 HA2 GLY A 49 23.454 -7.645 3.555 1.00 0.00 H new ATOM 0 HA3 GLY A 49 22.520 -7.940 5.008 1.00 0.00 H new ATOM 703 N SER A 50 23.216 -10.341 4.653 1.00 0.00 N ATOM 704 CA SER A 50 23.365 -11.787 4.541 1.00 0.00 C ATOM 705 C SER A 50 22.441 -12.507 5.519 1.00 0.00 C ATOM 706 O SER A 50 21.931 -13.587 5.225 1.00 0.00 O ATOM 707 CB SER A 50 24.819 -12.191 4.798 1.00 0.00 C ATOM 708 OG SER A 50 25.433 -12.668 3.612 1.00 0.00 O ATOM 0 H SER A 50 23.583 -9.946 5.519 1.00 0.00 H new ATOM 0 HA SER A 50 23.088 -12.080 3.528 1.00 0.00 H new ATOM 0 HB2 SER A 50 25.375 -11.335 5.181 1.00 0.00 H new ATOM 0 HB3 SER A 50 24.855 -12.964 5.566 1.00 0.00 H new ATOM 0 HG SER A 50 26.361 -12.918 3.802 1.00 0.00 H new ATOM 714 N GLU A 51 22.230 -11.898 6.681 1.00 0.00 N ATOM 715 CA GLU A 51 21.367 -12.477 7.706 1.00 0.00 C ATOM 716 C GLU A 51 21.965 -13.764 8.271 1.00 0.00 C ATOM 717 O GLU A 51 21.261 -14.568 8.882 1.00 0.00 O ATOM 718 CB GLU A 51 19.974 -12.754 7.133 1.00 0.00 C ATOM 719 CG GLU A 51 18.842 -12.273 8.027 1.00 0.00 C ATOM 720 CD GLU A 51 17.964 -11.236 7.352 1.00 0.00 C ATOM 721 OE1 GLU A 51 18.511 -10.372 6.635 1.00 0.00 O ATOM 722 OE2 GLU A 51 16.731 -11.289 7.541 1.00 0.00 O ATOM 0 H GLU A 51 22.645 -11.002 6.937 1.00 0.00 H new ATOM 0 HA GLU A 51 21.283 -11.756 8.519 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.888 -12.271 6.160 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.865 -13.826 6.967 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.230 -13.125 8.322 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.260 -11.850 8.940 1.00 0.00 H new ATOM 729 N TRP A 52 23.267 -13.955 8.068 1.00 0.00 N ATOM 730 CA TRP A 52 23.950 -15.144 8.563 1.00 0.00 C ATOM 731 C TRP A 52 24.957 -14.777 9.650 1.00 0.00 C ATOM 732 O TRP A 52 26.139 -15.108 9.555 1.00 0.00 O ATOM 733 CB TRP A 52 24.658 -15.869 7.417 1.00 0.00 C ATOM 734 CG TRP A 52 23.730 -16.670 6.562 1.00 0.00 C ATOM 735 CD1 TRP A 52 23.064 -17.797 6.931 1.00 0.00 C ATOM 736 CD2 TRP A 52 23.370 -16.415 5.199 1.00 0.00 C ATOM 737 NE1 TRP A 52 22.304 -18.262 5.885 1.00 0.00 N ATOM 738 CE2 TRP A 52 22.475 -17.430 4.809 1.00 0.00 C ATOM 739 CE3 TRP A 52 23.714 -15.427 4.272 1.00 0.00 C ATOM 740 CZ2 TRP A 52 21.921 -17.484 3.533 1.00 0.00 C ATOM 741 CZ3 TRP A 52 23.164 -15.482 3.006 1.00 0.00 C ATOM 742 CH2 TRP A 52 22.276 -16.504 2.646 1.00 0.00 C ATOM 0 H TRP A 52 23.868 -13.302 7.565 1.00 0.00 H new ATOM 0 HA TRP A 52 23.202 -15.810 8.994 1.00 0.00 H new ATOM 0 HB2 TRP A 52 25.172 -15.136 6.795 1.00 0.00 H new ATOM 0 HB3 TRP A 52 25.421 -16.529 7.830 1.00 0.00 H new ATOM 0 HD1 TRP A 52 23.124 -18.259 7.905 1.00 0.00 H new ATOM 0 HE1 TRP A 52 21.710 -19.091 5.906 1.00 0.00 H new ATOM 0 HE3 TRP A 52 24.397 -14.635 4.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 21.236 -18.271 3.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 23.423 -14.724 2.281 1.00 0.00 H new ATOM 0 HH2 TRP A 52 21.863 -16.519 1.648 1.00 0.00 H new ATOM 753 N ARG A 53 24.479 -14.092 10.684 1.00 0.00 N ATOM 754 CA ARG A 53 25.336 -13.681 11.790 1.00 0.00 C ATOM 755 C ARG A 53 24.641 -13.906 13.129 1.00 0.00 C ATOM 756 O ARG A 53 24.054 -12.986 13.699 1.00 0.00 O ATOM 757 CB ARG A 53 25.721 -12.206 11.641 1.00 0.00 C ATOM 758 CG ARG A 53 27.179 -11.995 11.260 1.00 0.00 C ATOM 759 CD ARG A 53 27.911 -11.151 12.292 1.00 0.00 C ATOM 760 NE ARG A 53 29.289 -11.596 12.486 1.00 0.00 N ATOM 761 CZ ARG A 53 30.260 -11.412 11.595 1.00 0.00 C ATOM 762 NH1 ARG A 53 30.009 -10.793 10.448 1.00 0.00 N ATOM 763 NH2 ARG A 53 31.486 -11.848 11.852 1.00 0.00 N ATOM 0 H ARG A 53 23.503 -13.810 10.779 1.00 0.00 H new ATOM 0 HA ARG A 53 26.240 -14.290 11.765 1.00 0.00 H new ATOM 0 HB2 ARG A 53 25.086 -11.748 10.883 1.00 0.00 H new ATOM 0 HB3 ARG A 53 25.521 -11.690 12.580 1.00 0.00 H new ATOM 0 HG2 ARG A 53 27.674 -12.961 11.162 1.00 0.00 H new ATOM 0 HG3 ARG A 53 27.234 -11.509 10.286 1.00 0.00 H new ATOM 0 HD2 ARG A 53 27.908 -10.108 11.975 1.00 0.00 H new ATOM 0 HD3 ARG A 53 27.378 -11.197 13.242 1.00 0.00 H new ATOM 0 HE ARG A 53 29.520 -12.076 13.356 1.00 0.00 H new ATOM 0 HH11 ARG A 53 29.068 -10.456 10.246 1.00 0.00 H new ATOM 0 HH12 ARG A 53 30.757 -10.655 9.769 1.00 0.00 H new ATOM 0 HH21 ARG A 53 31.684 -12.324 12.732 1.00 0.00 H new ATOM 0 HH22 ARG A 53 32.231 -11.707 11.169 1.00 0.00 H new ATOM 777 N THR A 54 24.712 -15.138 13.626 1.00 0.00 N ATOM 778 CA THR A 54 24.091 -15.484 14.899 1.00 0.00 C ATOM 779 C THR A 54 24.798 -16.673 15.544 1.00 0.00 C ATOM 780 O THR A 54 24.216 -17.746 15.701 1.00 0.00 O ATOM 781 CB THR A 54 22.608 -15.804 14.695 1.00 0.00 C ATOM 782 OG1 THR A 54 22.025 -16.269 15.900 1.00 0.00 O ATOM 783 CG2 THR A 54 22.363 -16.853 13.632 1.00 0.00 C ATOM 0 H THR A 54 25.193 -15.911 13.167 1.00 0.00 H new ATOM 0 HA THR A 54 24.182 -14.627 15.566 1.00 0.00 H new ATOM 0 HB THR A 54 22.152 -14.868 14.371 1.00 0.00 H new ATOM 0 HG1 THR A 54 22.473 -17.093 16.184 1.00 0.00 H new ATOM 0 HG21 THR A 54 21.292 -17.033 13.538 1.00 0.00 H new ATOM 0 HG22 THR A 54 22.757 -16.503 12.678 1.00 0.00 H new ATOM 0 HG23 THR A 54 22.863 -17.780 13.913 1.00 0.00 H new ATOM 791 N PHE A 55 26.058 -16.472 15.915 1.00 0.00 N ATOM 792 CA PHE A 55 26.847 -17.526 16.543 1.00 0.00 C ATOM 793 C PHE A 55 27.504 -17.024 17.825 1.00 0.00 C ATOM 794 O PHE A 55 27.311 -17.595 18.898 1.00 0.00 O ATOM 795 CB PHE A 55 27.916 -18.037 15.574 1.00 0.00 C ATOM 796 CG PHE A 55 27.466 -19.208 14.748 1.00 0.00 C ATOM 797 CD1 PHE A 55 26.422 -19.076 13.845 1.00 0.00 C ATOM 798 CD2 PHE A 55 28.087 -20.440 14.872 1.00 0.00 C ATOM 799 CE1 PHE A 55 26.007 -20.150 13.083 1.00 0.00 C ATOM 800 CE2 PHE A 55 27.675 -21.520 14.113 1.00 0.00 C ATOM 801 CZ PHE A 55 26.634 -21.374 13.217 1.00 0.00 C ATOM 0 H PHE A 55 26.555 -15.590 15.792 1.00 0.00 H new ATOM 0 HA PHE A 55 26.175 -18.346 16.798 1.00 0.00 H new ATOM 0 HB2 PHE A 55 28.210 -17.225 14.909 1.00 0.00 H new ATOM 0 HB3 PHE A 55 28.802 -18.322 16.141 1.00 0.00 H new ATOM 0 HD1 PHE A 55 25.928 -18.122 13.736 1.00 0.00 H new ATOM 0 HD2 PHE A 55 28.903 -20.558 15.570 1.00 0.00 H new ATOM 0 HE1 PHE A 55 25.193 -20.034 12.383 1.00 0.00 H new ATOM 0 HE2 PHE A 55 28.166 -22.476 14.221 1.00 0.00 H new ATOM 0 HZ PHE A 55 26.311 -22.215 12.622 1.00 0.00 H new ATOM 811 N SER A 56 28.280 -15.952 17.704 1.00 0.00 N ATOM 812 CA SER A 56 28.966 -15.372 18.853 1.00 0.00 C ATOM 813 C SER A 56 28.122 -14.274 19.493 1.00 0.00 C ATOM 814 O SER A 56 27.076 -13.895 18.967 1.00 0.00 O ATOM 815 CB SER A 56 30.324 -14.807 18.432 1.00 0.00 C ATOM 816 OG SER A 56 30.205 -14.008 17.268 1.00 0.00 O ATOM 0 H SER A 56 28.450 -15.468 16.823 1.00 0.00 H new ATOM 0 HA SER A 56 29.121 -16.162 19.588 1.00 0.00 H new ATOM 0 HB2 SER A 56 30.741 -14.212 19.244 1.00 0.00 H new ATOM 0 HB3 SER A 56 31.020 -15.625 18.246 1.00 0.00 H new ATOM 0 HG SER A 56 31.086 -13.657 17.020 1.00 0.00 H new ATOM 822 N ASN A 57 28.585 -13.766 20.631 1.00 0.00 N ATOM 823 CA ASN A 57 27.874 -12.710 21.344 1.00 0.00 C ATOM 824 C ASN A 57 26.513 -13.200 21.827 1.00 0.00 C ATOM 825 O ASN A 57 25.763 -13.819 21.073 1.00 0.00 O ATOM 826 CB ASN A 57 27.700 -11.484 20.446 1.00 0.00 C ATOM 827 CG ASN A 57 29.018 -10.981 19.889 1.00 0.00 C ATOM 828 OD1 ASN A 57 29.154 -10.762 18.685 1.00 0.00 O ATOM 829 ND2 ASN A 57 29.998 -10.797 20.766 1.00 0.00 N ATOM 0 H ASN A 57 29.450 -14.069 21.079 1.00 0.00 H new ATOM 0 HA ASN A 57 28.469 -12.431 22.214 1.00 0.00 H new ATOM 0 HB2 ASN A 57 27.032 -11.733 19.621 1.00 0.00 H new ATOM 0 HB3 ASN A 57 27.221 -10.686 21.014 1.00 0.00 H new ATOM 0 HD21 ASN A 57 30.908 -10.461 20.451 1.00 0.00 H new ATOM 0 HD22 ASN A 57 29.841 -10.991 21.755 1.00 0.00 H new ATOM 836 N ASP A 58 26.202 -12.919 23.087 1.00 0.00 N ATOM 837 CA ASP A 58 24.929 -13.330 23.671 1.00 0.00 C ATOM 838 C ASP A 58 24.045 -12.120 23.956 1.00 0.00 C ATOM 839 O ASP A 58 24.465 -10.977 23.780 1.00 0.00 O ATOM 840 CB ASP A 58 25.168 -14.118 24.960 1.00 0.00 C ATOM 841 CG ASP A 58 25.146 -15.617 24.733 1.00 0.00 C ATOM 842 OD1 ASP A 58 24.070 -16.149 24.387 1.00 0.00 O ATOM 843 OD2 ASP A 58 26.204 -16.259 24.903 1.00 0.00 O ATOM 0 H ASP A 58 26.813 -12.408 23.724 1.00 0.00 H new ATOM 0 HA ASP A 58 24.416 -13.969 22.952 1.00 0.00 H new ATOM 0 HB2 ASP A 58 26.130 -13.832 25.385 1.00 0.00 H new ATOM 0 HB3 ASP A 58 24.405 -13.853 25.692 1.00 0.00 H new ATOM 848 N LYS A 59 22.818 -12.382 24.396 1.00 0.00 N ATOM 849 CA LYS A 59 21.874 -11.314 24.704 1.00 0.00 C ATOM 850 C LYS A 59 20.892 -11.753 25.785 1.00 0.00 C ATOM 851 O LYS A 59 21.292 -12.125 26.888 1.00 0.00 O ATOM 852 CB LYS A 59 21.112 -10.898 23.446 1.00 0.00 C ATOM 853 CG LYS A 59 20.185 -9.713 23.660 1.00 0.00 C ATOM 854 CD LYS A 59 20.127 -8.822 22.430 1.00 0.00 C ATOM 855 CE LYS A 59 18.776 -8.137 22.301 1.00 0.00 C ATOM 856 NZ LYS A 59 18.902 -6.759 21.748 1.00 0.00 N ATOM 857 OXT LYS A 59 19.488 -11.732 25.515 1.00 0.00 O ATOM 0 H LYS A 59 22.455 -13.323 24.547 1.00 0.00 H new ATOM 0 HA LYS A 59 22.440 -10.460 25.076 1.00 0.00 H new ATOM 0 HB2 LYS A 59 21.828 -10.651 22.662 1.00 0.00 H new ATOM 0 HB3 LYS A 59 20.528 -11.746 23.088 1.00 0.00 H new ATOM 0 HG2 LYS A 59 19.184 -10.071 23.898 1.00 0.00 H new ATOM 0 HG3 LYS A 59 20.528 -9.132 24.516 1.00 0.00 H new ATOM 0 HD2 LYS A 59 20.914 -8.070 22.487 1.00 0.00 H new ATOM 0 HD3 LYS A 59 20.320 -9.418 21.538 1.00 0.00 H new ATOM 0 HE2 LYS A 59 18.129 -8.730 21.655 1.00 0.00 H new ATOM 0 HE3 LYS A 59 18.296 -8.093 23.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 17.959 -6.326 21.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 19.499 -6.185 22.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 19.336 -6.802 20.804 1.00 0.00 H new TER 871 LYS A 59 HETATM 872 ZN ZN A 60 2.591 -15.867 -3.760 1.00 0.00 ZN