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 -150:sc= -0.0233 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) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -140:sc= 0 (180deg=-0.0215) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -71:sc= 1.11 USER MOD Single : A 57 ASN : amide:sc=-0.00496 X(o=-0.005,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -23.413 4.551 -14.262 1.00 0.00 N ATOM 2 CA ALA A 2 -22.302 4.198 -13.340 1.00 0.00 C ATOM 3 C ALA A 2 -22.155 5.239 -12.236 1.00 0.00 C ATOM 4 O ALA A 2 -22.690 6.343 -12.336 1.00 0.00 O ATOM 5 CB ALA A 2 -20.998 4.063 -14.114 1.00 0.00 C ATOM 0 HA ALA A 2 -22.538 3.241 -12.875 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -20.192 3.804 -13.427 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -21.100 3.280 -14.865 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -20.767 5.008 -14.605 1.00 0.00 H new ATOM 13 N SER A 3 -21.427 4.880 -11.184 1.00 0.00 N ATOM 14 CA SER A 3 -21.210 5.783 -10.060 1.00 0.00 C ATOM 15 C SER A 3 -19.720 6.006 -9.822 1.00 0.00 C ATOM 16 O SER A 3 -19.277 7.135 -9.611 1.00 0.00 O ATOM 17 CB SER A 3 -21.863 5.223 -8.794 1.00 0.00 C ATOM 18 OG SER A 3 -22.177 6.260 -7.881 1.00 0.00 O ATOM 0 H SER A 3 -20.977 3.970 -11.086 1.00 0.00 H new ATOM 0 HA SER A 3 -21.669 6.742 -10.303 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.770 4.680 -9.059 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.191 4.508 -8.320 1.00 0.00 H new ATOM 0 HG SER A 3 -22.595 5.877 -7.082 1.00 0.00 H new ATOM 24 N THR A 4 -18.952 4.922 -9.857 1.00 0.00 N ATOM 25 CA THR A 4 -17.512 4.999 -9.646 1.00 0.00 C ATOM 26 C THR A 4 -16.760 4.863 -10.968 1.00 0.00 C ATOM 27 O THR A 4 -15.793 5.581 -11.219 1.00 0.00 O ATOM 28 CB THR A 4 -17.058 3.907 -8.676 1.00 0.00 C ATOM 29 OG1 THR A 4 -17.859 2.748 -8.815 1.00 0.00 O ATOM 30 CG2 THR A 4 -17.116 4.335 -7.224 1.00 0.00 C ATOM 0 H THR A 4 -19.303 3.980 -10.030 1.00 0.00 H new ATOM 0 HA THR A 4 -17.285 5.975 -9.217 1.00 0.00 H new ATOM 0 HB THR A 4 -16.020 3.702 -8.937 1.00 0.00 H new ATOM 0 HG1 THR A 4 -17.908 2.279 -7.956 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.781 3.515 -6.589 1.00 0.00 H new ATOM 0 HG22 THR A 4 -16.468 5.198 -7.073 1.00 0.00 H new ATOM 0 HG23 THR A 4 -18.141 4.600 -6.964 1.00 0.00 H new ATOM 38 N SER A 5 -17.215 3.939 -11.808 1.00 0.00 N ATOM 39 CA SER A 5 -16.587 3.710 -13.103 1.00 0.00 C ATOM 40 C SER A 5 -15.131 3.284 -12.935 1.00 0.00 C ATOM 41 O SER A 5 -14.243 4.123 -12.785 1.00 0.00 O ATOM 42 CB SER A 5 -16.668 4.973 -13.963 1.00 0.00 C ATOM 43 OG SER A 5 -17.023 4.660 -15.298 1.00 0.00 O ATOM 0 H SER A 5 -18.016 3.337 -11.615 1.00 0.00 H new ATOM 0 HA SER A 5 -17.125 2.905 -13.603 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.402 5.658 -13.540 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.707 5.487 -13.950 1.00 0.00 H new ATOM 0 HG SER A 5 -17.070 5.484 -15.826 1.00 0.00 H new ATOM 49 N ARG A 6 -14.896 1.976 -12.962 1.00 0.00 N ATOM 50 CA ARG A 6 -13.549 1.436 -12.814 1.00 0.00 C ATOM 51 C ARG A 6 -12.977 1.769 -11.439 1.00 0.00 C ATOM 52 O ARG A 6 -13.054 2.909 -10.984 1.00 0.00 O ATOM 53 CB ARG A 6 -12.631 1.981 -13.911 1.00 0.00 C ATOM 54 CG ARG A 6 -12.562 1.094 -15.143 1.00 0.00 C ATOM 55 CD ARG A 6 -11.840 1.785 -16.288 1.00 0.00 C ATOM 56 NE ARG A 6 -10.404 1.897 -16.042 1.00 0.00 N ATOM 57 CZ ARG A 6 -9.553 0.879 -16.147 1.00 0.00 C ATOM 58 NH1 ARG A 6 -9.987 -0.326 -16.491 1.00 0.00 N ATOM 59 NH2 ARG A 6 -8.262 1.068 -15.906 1.00 0.00 N ATOM 0 H ARG A 6 -15.622 1.270 -13.085 1.00 0.00 H new ATOM 0 HA ARG A 6 -13.608 0.352 -12.909 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -12.979 2.971 -14.205 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -11.627 2.104 -13.505 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -12.048 0.165 -14.895 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -13.571 0.826 -15.457 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -12.007 1.229 -17.210 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -12.261 2.780 -16.435 1.00 0.00 H new ATOM 0 HE ARG A 6 -10.032 2.808 -15.774 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -10.978 -0.477 -16.677 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.329 -1.102 -16.570 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.923 1.993 -15.641 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.609 0.289 -15.986 1.00 0.00 H new ATOM 73 N LEU A 7 -12.401 0.765 -10.785 1.00 0.00 N ATOM 74 CA LEU A 7 -11.816 0.952 -9.462 1.00 0.00 C ATOM 75 C LEU A 7 -11.047 -0.293 -9.027 1.00 0.00 C ATOM 76 O LEU A 7 -11.205 -0.771 -7.904 1.00 0.00 O ATOM 77 CB LEU A 7 -12.909 1.278 -8.441 1.00 0.00 C ATOM 78 CG LEU A 7 -14.166 0.412 -8.539 1.00 0.00 C ATOM 79 CD1 LEU A 7 -13.942 -0.931 -7.861 1.00 0.00 C ATOM 80 CD2 LEU A 7 -15.356 1.131 -7.923 1.00 0.00 C ATOM 0 H LEU A 7 -12.327 -0.185 -11.149 1.00 0.00 H new ATOM 0 HA LEU A 7 -11.117 1.787 -9.513 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -12.492 1.174 -7.439 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.196 2.323 -8.560 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.381 0.232 -9.592 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -14.847 -1.534 -7.940 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -13.116 -1.450 -8.347 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -13.703 -0.772 -6.809 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -16.242 0.501 -8.001 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -15.151 1.340 -6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -15.529 2.068 -8.453 1.00 0.00 H new ATOM 92 N ASP A 8 -10.215 -0.811 -9.923 1.00 0.00 N ATOM 93 CA ASP A 8 -9.421 -2.000 -9.631 1.00 0.00 C ATOM 94 C ASP A 8 -8.380 -2.241 -10.717 1.00 0.00 C ATOM 95 O ASP A 8 -7.234 -2.585 -10.429 1.00 0.00 O ATOM 96 CB ASP A 8 -10.326 -3.227 -9.498 1.00 0.00 C ATOM 97 CG ASP A 8 -11.375 -3.295 -10.591 1.00 0.00 C ATOM 98 OD1 ASP A 8 -11.067 -3.827 -11.678 1.00 0.00 O ATOM 99 OD2 ASP A 8 -12.506 -2.818 -10.359 1.00 0.00 O ATOM 0 H ASP A 8 -10.072 -0.427 -10.857 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.904 -1.834 -8.686 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -9.716 -4.130 -9.528 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.819 -3.207 -8.526 1.00 0.00 H new ATOM 104 N ALA A 9 -8.790 -2.063 -11.967 1.00 0.00 N ATOM 105 CA ALA A 9 -7.895 -2.263 -13.100 1.00 0.00 C ATOM 106 C ALA A 9 -7.416 -3.709 -13.166 1.00 0.00 C ATOM 107 O ALA A 9 -7.895 -4.566 -12.423 1.00 0.00 O ATOM 108 CB ALA A 9 -6.709 -1.315 -13.012 1.00 0.00 C ATOM 0 H ALA A 9 -9.736 -1.781 -12.222 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.449 -2.046 -14.014 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.050 -1.477 -13.865 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.065 -0.285 -13.019 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.161 -1.503 -12.089 1.00 0.00 H new ATOM 114 N LEU A 10 -6.469 -3.974 -14.060 1.00 0.00 N ATOM 115 CA LEU A 10 -5.928 -5.318 -14.220 1.00 0.00 C ATOM 116 C LEU A 10 -5.249 -5.789 -12.936 1.00 0.00 C ATOM 117 O LEU A 10 -5.534 -6.880 -12.440 1.00 0.00 O ATOM 118 CB LEU A 10 -4.936 -5.360 -15.386 1.00 0.00 C ATOM 119 CG LEU A 10 -5.063 -6.579 -16.299 1.00 0.00 C ATOM 120 CD1 LEU A 10 -4.543 -6.259 -17.692 1.00 0.00 C ATOM 121 CD2 LEU A 10 -4.318 -7.767 -15.708 1.00 0.00 C ATOM 0 H LEU A 10 -6.061 -3.277 -14.683 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.757 -5.992 -14.438 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.066 -4.460 -15.987 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.924 -5.331 -14.983 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.118 -6.841 -16.380 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.641 -7.139 -18.328 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.121 -5.438 -18.116 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.494 -5.971 -17.631 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.419 -8.626 -16.371 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.263 -7.516 -15.597 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.738 -8.011 -14.732 1.00 0.00 H new ATOM 133 N PRO A 11 -4.338 -4.974 -12.374 1.00 0.00 N ATOM 134 CA PRO A 11 -3.624 -5.320 -11.140 1.00 0.00 C ATOM 135 C PRO A 11 -4.571 -5.490 -9.957 1.00 0.00 C ATOM 136 O PRO A 11 -5.632 -4.868 -9.906 1.00 0.00 O ATOM 137 CB PRO A 11 -2.689 -4.125 -10.908 1.00 0.00 C ATOM 138 CG PRO A 11 -2.605 -3.432 -12.224 1.00 0.00 C ATOM 139 CD PRO A 11 -3.932 -3.656 -12.890 1.00 0.00 C ATOM 0 HA PRO A 11 -3.099 -6.271 -11.230 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.082 -3.461 -10.138 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.705 -4.454 -10.573 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.408 -2.368 -12.094 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.792 -3.836 -12.827 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.652 -2.880 -12.629 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.844 -3.657 -13.976 1.00 0.00 H new ATOM 147 N ARG A 12 -4.181 -6.335 -9.009 1.00 0.00 N ATOM 148 CA ARG A 12 -4.997 -6.585 -7.827 1.00 0.00 C ATOM 149 C ARG A 12 -4.124 -6.736 -6.586 1.00 0.00 C ATOM 150 O ARG A 12 -2.897 -6.758 -6.678 1.00 0.00 O ATOM 151 CB ARG A 12 -5.851 -7.839 -8.026 1.00 0.00 C ATOM 152 CG ARG A 12 -7.290 -7.675 -7.565 1.00 0.00 C ATOM 153 CD ARG A 12 -8.213 -8.665 -8.256 1.00 0.00 C ATOM 154 NE ARG A 12 -8.502 -8.277 -9.634 1.00 0.00 N ATOM 155 CZ ARG A 12 -9.392 -7.346 -9.972 1.00 0.00 C ATOM 156 NH1 ARG A 12 -10.078 -6.703 -9.034 1.00 0.00 N ATOM 157 NH2 ARG A 12 -9.595 -7.056 -11.249 1.00 0.00 N ATOM 0 H ARG A 12 -3.306 -6.858 -9.036 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.655 -5.728 -7.681 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.845 -8.108 -9.082 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.397 -8.668 -7.483 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.346 -7.817 -6.486 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.625 -6.659 -7.771 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.755 -9.654 -8.247 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.146 -8.740 -7.698 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.992 -8.747 -10.382 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.924 -6.922 -8.050 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.759 -5.991 -9.298 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.070 -7.546 -11.973 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.277 -6.343 -11.508 1.00 0.00 H new ATOM 171 N VAL A 13 -4.765 -6.840 -5.427 1.00 0.00 N ATOM 172 CA VAL A 13 -4.045 -6.990 -4.168 1.00 0.00 C ATOM 173 C VAL A 13 -3.861 -8.462 -3.811 1.00 0.00 C ATOM 174 O VAL A 13 -4.128 -8.879 -2.683 1.00 0.00 O ATOM 175 CB VAL A 13 -4.776 -6.277 -3.013 1.00 0.00 C ATOM 176 CG1 VAL A 13 -3.910 -6.256 -1.764 1.00 0.00 C ATOM 177 CG2 VAL A 13 -5.169 -4.865 -3.421 1.00 0.00 C ATOM 0 H VAL A 13 -5.781 -6.823 -5.333 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.067 -6.529 -4.306 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.686 -6.832 -2.786 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.443 -5.749 -0.960 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.684 -7.278 -1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.981 -5.726 -1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.684 -4.377 -2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.274 -4.298 -3.677 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.831 -4.907 -4.286 1.00 0.00 H new ATOM 187 N THR A 14 -3.404 -9.248 -4.781 1.00 0.00 N ATOM 188 CA THR A 14 -3.185 -10.673 -4.570 1.00 0.00 C ATOM 189 C THR A 14 -2.005 -11.174 -5.398 1.00 0.00 C ATOM 190 O THR A 14 -1.636 -10.566 -6.402 1.00 0.00 O ATOM 191 CB THR A 14 -4.444 -11.464 -4.928 1.00 0.00 C ATOM 192 OG1 THR A 14 -5.091 -10.895 -6.053 1.00 0.00 O ATOM 193 CG2 THR A 14 -5.452 -11.524 -3.801 1.00 0.00 C ATOM 0 H THR A 14 -3.178 -8.921 -5.721 1.00 0.00 H new ATOM 0 HA THR A 14 -2.956 -10.825 -3.515 1.00 0.00 H new ATOM 0 HB THR A 14 -4.099 -12.476 -5.141 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.893 -11.416 -6.267 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.321 -12.099 -4.120 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.999 -12.003 -2.933 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.763 -10.513 -3.537 1.00 0.00 H new ATOM 201 N CYS A 15 -1.420 -12.287 -4.968 1.00 0.00 N ATOM 202 CA CYS A 15 -0.283 -12.875 -5.665 1.00 0.00 C ATOM 203 C CYS A 15 -0.657 -13.237 -7.103 1.00 0.00 C ATOM 204 O CYS A 15 -1.712 -13.822 -7.346 1.00 0.00 O ATOM 205 CB CYS A 15 0.199 -14.122 -4.924 1.00 0.00 C ATOM 206 SG CYS A 15 1.768 -14.790 -5.527 1.00 0.00 S ATOM 0 H CYS A 15 -1.716 -12.801 -4.138 1.00 0.00 H new ATOM 0 HA CYS A 15 0.521 -12.139 -5.691 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.303 -13.883 -3.865 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.565 -14.895 -5.003 1.00 0.00 H new ATOM 211 N PRO A 16 0.203 -12.895 -8.079 1.00 0.00 N ATOM 212 CA PRO A 16 -0.052 -13.193 -9.493 1.00 0.00 C ATOM 213 C PRO A 16 -0.025 -14.689 -9.788 1.00 0.00 C ATOM 214 O PRO A 16 -0.574 -15.142 -10.793 1.00 0.00 O ATOM 215 CB PRO A 16 1.092 -12.484 -10.223 1.00 0.00 C ATOM 216 CG PRO A 16 2.177 -12.369 -9.209 1.00 0.00 C ATOM 217 CD PRO A 16 1.487 -12.196 -7.886 1.00 0.00 C ATOM 0 HA PRO A 16 -1.043 -12.861 -9.803 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.421 -13.055 -11.091 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.783 -11.503 -10.585 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.807 -13.259 -9.208 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.826 -11.520 -9.425 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.064 -12.633 -7.071 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.340 -11.144 -7.644 1.00 0.00 H new ATOM 225 N ASN A 17 0.617 -15.454 -8.910 1.00 0.00 N ATOM 226 CA ASN A 17 0.715 -16.899 -9.084 1.00 0.00 C ATOM 227 C ASN A 17 -0.029 -17.649 -7.979 1.00 0.00 C ATOM 228 O ASN A 17 -0.263 -18.852 -8.087 1.00 0.00 O ATOM 229 CB ASN A 17 2.182 -17.331 -9.104 1.00 0.00 C ATOM 230 CG ASN A 17 2.368 -18.722 -9.678 1.00 0.00 C ATOM 231 OD1 ASN A 17 2.140 -18.952 -10.865 1.00 0.00 O ATOM 232 ND2 ASN A 17 2.785 -19.659 -8.833 1.00 0.00 N ATOM 0 H ASN A 17 1.076 -15.098 -8.072 1.00 0.00 H new ATOM 0 HA ASN A 17 0.249 -17.149 -10.037 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.760 -16.618 -9.692 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.580 -17.304 -8.090 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.928 -20.614 -9.161 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.962 -19.423 -7.857 1.00 0.00 H new ATOM 239 N HIS A 18 -0.400 -16.937 -6.916 1.00 0.00 N ATOM 240 CA HIS A 18 -1.115 -17.549 -5.802 1.00 0.00 C ATOM 241 C HIS A 18 -2.427 -16.819 -5.525 1.00 0.00 C ATOM 242 O HIS A 18 -2.478 -15.908 -4.699 1.00 0.00 O ATOM 243 CB HIS A 18 -0.239 -17.554 -4.546 1.00 0.00 C ATOM 244 CG HIS A 18 0.960 -18.442 -4.663 1.00 0.00 C ATOM 245 ND1 HIS A 18 2.228 -17.974 -4.406 1.00 0.00 N ATOM 246 CD2 HIS A 18 1.026 -19.747 -5.020 1.00 0.00 C ATOM 247 CE1 HIS A 18 3.031 -19.007 -4.613 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.348 -20.098 -4.986 1.00 0.00 N ATOM 0 H HIS A 18 -0.217 -15.940 -6.805 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.349 -18.578 -6.075 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.091 -16.536 -4.337 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.839 -17.876 -3.695 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.196 -20.387 -5.281 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.104 -18.974 -4.496 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.739 -21.015 -5.203 1.00 0.00 H new ATOM 256 N PRO A 19 -3.511 -17.215 -6.214 1.00 0.00 N ATOM 257 CA PRO A 19 -4.829 -16.597 -6.037 1.00 0.00 C ATOM 258 C PRO A 19 -5.379 -16.823 -4.634 1.00 0.00 C ATOM 259 O PRO A 19 -5.951 -15.918 -4.026 1.00 0.00 O ATOM 260 CB PRO A 19 -5.716 -17.303 -7.072 1.00 0.00 C ATOM 261 CG PRO A 19 -4.777 -17.994 -8.003 1.00 0.00 C ATOM 262 CD PRO A 19 -3.539 -18.295 -7.209 1.00 0.00 C ATOM 0 HA PRO A 19 -4.787 -15.516 -6.169 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.387 -18.016 -6.592 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.341 -16.587 -7.606 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.221 -18.910 -8.393 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.545 -17.362 -8.860 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.591 -19.276 -6.737 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.647 -18.289 -7.835 1.00 0.00 H new ATOM 270 N ASP A 20 -5.199 -18.038 -4.129 1.00 0.00 N ATOM 271 CA ASP A 20 -5.675 -18.392 -2.795 1.00 0.00 C ATOM 272 C ASP A 20 -4.589 -18.162 -1.748 1.00 0.00 C ATOM 273 O ASP A 20 -4.418 -18.965 -0.829 1.00 0.00 O ATOM 274 CB ASP A 20 -6.130 -19.852 -2.767 1.00 0.00 C ATOM 275 CG ASP A 20 -7.432 -20.066 -3.513 1.00 0.00 C ATOM 276 OD1 ASP A 20 -8.171 -19.079 -3.713 1.00 0.00 O ATOM 277 OD2 ASP A 20 -7.714 -21.221 -3.896 1.00 0.00 O ATOM 0 H ASP A 20 -4.727 -18.796 -4.623 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.522 -17.749 -2.555 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.355 -20.480 -3.207 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.250 -20.172 -1.732 1.00 0.00 H new ATOM 282 N ALA A 21 -3.858 -17.061 -1.891 1.00 0.00 N ATOM 283 CA ALA A 21 -2.791 -16.721 -0.958 1.00 0.00 C ATOM 284 C ALA A 21 -2.538 -15.217 -0.951 1.00 0.00 C ATOM 285 O ALA A 21 -1.460 -14.754 -1.325 1.00 0.00 O ATOM 286 CB ALA A 21 -1.518 -17.475 -1.315 1.00 0.00 C ATOM 0 H ALA A 21 -3.986 -16.388 -2.646 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.102 -17.017 0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.729 -17.212 -0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.705 -18.548 -1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.207 -17.206 -2.325 1.00 0.00 H new ATOM 292 N ILE A 22 -3.545 -14.458 -0.530 1.00 0.00 N ATOM 293 CA ILE A 22 -3.446 -13.010 -0.476 1.00 0.00 C ATOM 294 C ILE A 22 -2.274 -12.559 0.389 1.00 0.00 C ATOM 295 O ILE A 22 -2.090 -13.043 1.506 1.00 0.00 O ATOM 296 CB ILE A 22 -4.744 -12.395 0.078 1.00 0.00 C ATOM 297 CG1 ILE A 22 -5.126 -13.061 1.401 1.00 0.00 C ATOM 298 CG2 ILE A 22 -5.872 -12.528 -0.937 1.00 0.00 C ATOM 299 CD1 ILE A 22 -6.232 -12.340 2.142 1.00 0.00 C ATOM 0 H ILE A 22 -4.443 -14.828 -0.220 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.282 -12.664 -1.497 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.575 -11.334 0.264 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.439 -14.087 1.205 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.245 -13.113 2.040 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.782 -12.088 -0.529 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.598 -12.009 -1.855 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.044 -13.582 -1.154 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.452 -12.867 3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.915 -11.322 2.369 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.127 -12.311 1.521 1.00 0.00 H new ATOM 311 N LEU A 23 -1.487 -11.624 -0.135 1.00 0.00 N ATOM 312 CA LEU A 23 -0.335 -11.099 0.588 1.00 0.00 C ATOM 313 C LEU A 23 -0.779 -10.401 1.871 1.00 0.00 C ATOM 314 O LEU A 23 -1.456 -9.375 1.829 1.00 0.00 O ATOM 315 CB LEU A 23 0.441 -10.124 -0.295 1.00 0.00 C ATOM 316 CG LEU A 23 1.543 -10.764 -1.136 1.00 0.00 C ATOM 317 CD1 LEU A 23 1.046 -11.043 -2.546 1.00 0.00 C ATOM 318 CD2 LEU A 23 2.777 -9.876 -1.169 1.00 0.00 C ATOM 0 H LEU A 23 -1.627 -11.214 -1.059 1.00 0.00 H new ATOM 0 HA LEU A 23 0.315 -11.933 0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.260 -9.621 -0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.885 -9.356 0.338 1.00 0.00 H new ATOM 0 HG LEU A 23 1.817 -11.713 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.845 -11.499 -3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.195 -11.722 -2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.741 -10.108 -3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.550 -10.350 -1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.519 -8.910 -1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.148 -9.730 -0.154 1.00 0.00 H new ATOM 330 N VAL A 24 -0.395 -10.967 3.010 1.00 0.00 N ATOM 331 CA VAL A 24 -0.754 -10.400 4.306 1.00 0.00 C ATOM 332 C VAL A 24 0.138 -9.213 4.655 1.00 0.00 C ATOM 333 O VAL A 24 1.230 -9.066 4.111 1.00 0.00 O ATOM 334 CB VAL A 24 -0.655 -11.448 5.430 1.00 0.00 C ATOM 335 CG1 VAL A 24 -1.286 -10.922 6.709 1.00 0.00 C ATOM 336 CG2 VAL A 24 -1.306 -12.756 5.004 1.00 0.00 C ATOM 0 H VAL A 24 0.165 -11.818 3.063 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.788 -10.064 4.224 1.00 0.00 H new ATOM 0 HB VAL A 24 0.400 -11.642 5.626 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.206 -11.677 7.491 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.768 -10.016 7.024 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.337 -10.695 6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.225 -13.483 5.812 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.358 -12.582 4.776 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.802 -13.141 4.118 1.00 0.00 H new ATOM 346 N GLU A 25 -0.335 -8.370 5.566 1.00 0.00 N ATOM 347 CA GLU A 25 0.421 -7.195 5.985 1.00 0.00 C ATOM 348 C GLU A 25 1.370 -7.536 7.131 1.00 0.00 C ATOM 349 O GLU A 25 1.172 -8.520 7.844 1.00 0.00 O ATOM 350 CB GLU A 25 -0.530 -6.075 6.413 1.00 0.00 C ATOM 351 CG GLU A 25 -0.844 -5.087 5.300 1.00 0.00 C ATOM 352 CD GLU A 25 -2.099 -5.453 4.533 1.00 0.00 C ATOM 353 OE1 GLU A 25 -3.205 -5.123 5.010 1.00 0.00 O ATOM 354 OE2 GLU A 25 -1.977 -6.067 3.452 1.00 0.00 O ATOM 0 H GLU A 25 -1.238 -8.478 6.028 1.00 0.00 H new ATOM 0 HA GLU A 25 1.013 -6.855 5.135 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.461 -6.516 6.770 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.090 -5.537 7.252 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.961 -4.090 5.726 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.001 -5.042 4.610 1.00 0.00 H new ATOM 361 N ASP A 26 2.403 -6.716 7.300 1.00 0.00 N ATOM 362 CA ASP A 26 3.385 -6.930 8.358 1.00 0.00 C ATOM 363 C ASP A 26 2.942 -6.257 9.657 1.00 0.00 C ATOM 364 O ASP A 26 1.776 -5.895 9.813 1.00 0.00 O ATOM 365 CB ASP A 26 4.757 -6.404 7.923 1.00 0.00 C ATOM 366 CG ASP A 26 4.796 -4.892 7.810 1.00 0.00 C ATOM 367 OD1 ASP A 26 4.549 -4.214 8.829 1.00 0.00 O ATOM 368 OD2 ASP A 26 5.077 -4.387 6.704 1.00 0.00 O ATOM 0 H ASP A 26 2.582 -5.898 6.718 1.00 0.00 H new ATOM 0 HA ASP A 26 3.463 -8.002 8.541 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.510 -6.730 8.640 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.021 -6.843 6.961 1.00 0.00 H new ATOM 373 N TYR A 27 3.879 -6.094 10.588 1.00 0.00 N ATOM 374 CA TYR A 27 3.586 -5.468 11.875 1.00 0.00 C ATOM 375 C TYR A 27 2.926 -4.103 11.691 1.00 0.00 C ATOM 376 O TYR A 27 1.805 -3.880 12.148 1.00 0.00 O ATOM 377 CB TYR A 27 4.868 -5.316 12.695 1.00 0.00 C ATOM 378 CG TYR A 27 5.618 -6.614 12.895 1.00 0.00 C ATOM 379 CD1 TYR A 27 5.231 -7.517 13.878 1.00 0.00 C ATOM 380 CD2 TYR A 27 6.712 -6.937 12.102 1.00 0.00 C ATOM 381 CE1 TYR A 27 5.914 -8.704 14.065 1.00 0.00 C ATOM 382 CE2 TYR A 27 7.399 -8.122 12.283 1.00 0.00 C ATOM 383 CZ TYR A 27 6.997 -9.001 13.265 1.00 0.00 C ATOM 384 OH TYR A 27 7.680 -10.182 13.449 1.00 0.00 O ATOM 0 H TYR A 27 4.849 -6.387 10.475 1.00 0.00 H new ATOM 0 HA TYR A 27 2.890 -6.116 12.409 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.524 -4.600 12.199 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.618 -4.897 13.670 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.383 -7.288 14.506 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.031 -6.251 11.331 1.00 0.00 H new ATOM 0 HE1 TYR A 27 5.601 -9.395 14.834 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.247 -8.358 11.658 1.00 0.00 H new ATOM 0 HH TYR A 27 8.415 -10.239 12.804 1.00 0.00 H new ATOM 394 N ARG A 28 3.628 -3.193 11.024 1.00 0.00 N ATOM 395 CA ARG A 28 3.107 -1.849 10.787 1.00 0.00 C ATOM 396 C ARG A 28 2.463 -1.735 9.414 1.00 0.00 C ATOM 397 O ARG A 28 2.272 -0.637 8.888 1.00 0.00 O ATOM 398 CB ARG A 28 4.227 -0.825 10.913 1.00 0.00 C ATOM 399 CG ARG A 28 3.770 0.521 11.453 1.00 0.00 C ATOM 400 CD ARG A 28 4.811 1.602 11.213 1.00 0.00 C ATOM 401 NE ARG A 28 4.207 2.854 10.765 1.00 0.00 N ATOM 402 CZ ARG A 28 4.886 3.835 10.172 1.00 0.00 C ATOM 403 NH1 ARG A 28 6.189 3.710 9.954 1.00 0.00 N ATOM 404 NH2 ARG A 28 4.260 4.942 9.797 1.00 0.00 N ATOM 0 H ARG A 28 4.557 -3.360 10.638 1.00 0.00 H new ATOM 0 HA ARG A 28 2.343 -1.652 11.539 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.001 -1.225 11.568 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.683 -0.677 9.934 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.832 0.806 10.976 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.572 0.437 12.521 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.370 1.778 12.132 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.526 1.257 10.466 1.00 0.00 H new ATOM 0 HE ARG A 28 3.207 2.985 10.915 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.675 2.860 10.241 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.705 4.464 9.500 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.259 5.043 9.963 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.780 5.693 9.343 1.00 0.00 H new ATOM 418 N ALA A 29 2.128 -2.876 8.846 1.00 0.00 N ATOM 419 CA ALA A 29 1.497 -2.935 7.532 1.00 0.00 C ATOM 420 C ALA A 29 2.283 -2.133 6.498 1.00 0.00 C ATOM 421 O ALA A 29 1.723 -1.669 5.504 1.00 0.00 O ATOM 422 CB ALA A 29 0.065 -2.431 7.614 1.00 0.00 C ATOM 0 H ALA A 29 2.282 -3.788 9.276 1.00 0.00 H new ATOM 0 HA ALA A 29 1.491 -3.976 7.210 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.395 -2.480 6.627 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.500 -3.052 8.309 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.062 -1.399 7.965 1.00 0.00 H new ATOM 428 N GLY A 30 3.582 -1.974 6.734 1.00 0.00 N ATOM 429 CA GLY A 30 4.416 -1.229 5.809 1.00 0.00 C ATOM 430 C GLY A 30 4.546 -1.922 4.467 1.00 0.00 C ATOM 431 O GLY A 30 4.721 -1.270 3.437 1.00 0.00 O ATOM 0 H GLY A 30 4.071 -2.347 7.548 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.994 -0.235 5.663 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.407 -1.094 6.244 1.00 0.00 H new ATOM 435 N ASP A 31 4.457 -3.247 4.482 1.00 0.00 N ATOM 436 CA ASP A 31 4.563 -4.038 3.263 1.00 0.00 C ATOM 437 C ASP A 31 3.773 -5.336 3.395 1.00 0.00 C ATOM 438 O ASP A 31 3.484 -5.787 4.504 1.00 0.00 O ATOM 439 CB ASP A 31 6.028 -4.346 2.953 1.00 0.00 C ATOM 440 CG ASP A 31 6.750 -4.967 4.133 1.00 0.00 C ATOM 441 OD1 ASP A 31 6.170 -5.865 4.779 1.00 0.00 O ATOM 442 OD2 ASP A 31 7.896 -4.554 4.412 1.00 0.00 O ATOM 0 H ASP A 31 4.311 -3.797 5.328 1.00 0.00 H new ATOM 0 HA ASP A 31 4.144 -3.457 2.442 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.082 -5.023 2.100 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.536 -3.427 2.662 1.00 0.00 H new ATOM 447 N MET A 32 3.424 -5.931 2.259 1.00 0.00 N ATOM 448 CA MET A 32 2.665 -7.177 2.257 1.00 0.00 C ATOM 449 C MET A 32 3.587 -8.374 2.047 1.00 0.00 C ATOM 450 O MET A 32 4.773 -8.212 1.760 1.00 0.00 O ATOM 451 CB MET A 32 1.588 -7.148 1.167 1.00 0.00 C ATOM 452 CG MET A 32 0.998 -5.767 0.922 1.00 0.00 C ATOM 453 SD MET A 32 -0.056 -5.713 -0.540 1.00 0.00 S ATOM 454 CE MET A 32 -0.670 -4.032 -0.454 1.00 0.00 C ATOM 0 H MET A 32 3.653 -5.573 1.332 1.00 0.00 H new ATOM 0 HA MET A 32 2.181 -7.278 3.229 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.016 -7.520 0.236 1.00 0.00 H new ATOM 0 HB3 MET A 32 0.786 -7.832 1.444 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.419 -5.463 1.794 1.00 0.00 H new ATOM 0 HG3 MET A 32 1.807 -5.045 0.809 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.724 -4.015 -0.732 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.556 -3.655 0.562 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.104 -3.402 -1.140 1.00 0.00 H new ATOM 464 N ILE A 33 3.038 -9.577 2.194 1.00 0.00 N ATOM 465 CA ILE A 33 3.815 -10.798 2.023 1.00 0.00 C ATOM 466 C ILE A 33 2.906 -11.991 1.718 1.00 0.00 C ATOM 467 O ILE A 33 1.896 -12.195 2.389 1.00 0.00 O ATOM 468 CB ILE A 33 4.664 -11.099 3.279 1.00 0.00 C ATOM 469 CG1 ILE A 33 5.693 -12.199 2.990 1.00 0.00 C ATOM 470 CG2 ILE A 33 3.772 -11.484 4.454 1.00 0.00 C ATOM 471 CD1 ILE A 33 5.097 -13.583 2.842 1.00 0.00 C ATOM 0 H ILE A 33 2.058 -9.731 2.431 1.00 0.00 H new ATOM 0 HA ILE A 33 4.484 -10.640 1.177 1.00 0.00 H new ATOM 0 HB ILE A 33 5.206 -10.193 3.548 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.230 -11.947 2.076 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.426 -12.216 3.796 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.390 -11.692 5.327 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.091 -10.663 4.678 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.196 -12.373 4.198 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.891 -14.301 2.639 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.585 -13.859 3.764 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.385 -13.586 2.016 1.00 0.00 H new ATOM 483 N CYS A 34 3.266 -12.776 0.703 1.00 0.00 N ATOM 484 CA CYS A 34 2.470 -13.937 0.321 1.00 0.00 C ATOM 485 C CYS A 34 2.921 -15.180 1.089 1.00 0.00 C ATOM 486 O CYS A 34 4.050 -15.641 0.925 1.00 0.00 O ATOM 487 CB CYS A 34 2.595 -14.167 -1.186 1.00 0.00 C ATOM 488 SG CYS A 34 1.731 -15.626 -1.816 1.00 0.00 S ATOM 0 H CYS A 34 4.100 -12.629 0.134 1.00 0.00 H new ATOM 0 HA CYS A 34 1.426 -13.748 0.571 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.215 -13.287 -1.705 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.652 -14.253 -1.438 1.00 0.00 H new ATOM 493 N PRO A 35 2.046 -15.741 1.945 1.00 0.00 N ATOM 494 CA PRO A 35 2.375 -16.931 2.738 1.00 0.00 C ATOM 495 C PRO A 35 2.785 -18.118 1.872 1.00 0.00 C ATOM 496 O PRO A 35 3.415 -19.059 2.355 1.00 0.00 O ATOM 497 CB PRO A 35 1.077 -17.244 3.496 1.00 0.00 C ATOM 498 CG PRO A 35 0.010 -16.486 2.780 1.00 0.00 C ATOM 499 CD PRO A 35 0.678 -15.269 2.213 1.00 0.00 C ATOM 0 HA PRO A 35 3.228 -16.749 3.392 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.868 -18.314 3.494 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.146 -16.935 4.539 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.435 -17.091 1.990 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.795 -16.208 3.460 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.185 -14.923 1.305 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.668 -14.437 2.917 1.00 0.00 H new ATOM 507 N GLU A 36 2.425 -18.072 0.594 1.00 0.00 N ATOM 508 CA GLU A 36 2.761 -19.151 -0.327 1.00 0.00 C ATOM 509 C GLU A 36 4.212 -19.039 -0.798 1.00 0.00 C ATOM 510 O GLU A 36 5.096 -19.694 -0.247 1.00 0.00 O ATOM 511 CB GLU A 36 1.806 -19.146 -1.521 1.00 0.00 C ATOM 512 CG GLU A 36 0.803 -20.290 -1.504 1.00 0.00 C ATOM 513 CD GLU A 36 0.034 -20.374 -0.199 1.00 0.00 C ATOM 514 OE1 GLU A 36 0.079 -19.400 0.582 1.00 0.00 O ATOM 515 OE2 GLU A 36 -0.614 -21.414 0.042 1.00 0.00 O ATOM 0 H GLU A 36 1.903 -17.303 0.174 1.00 0.00 H new ATOM 0 HA GLU A 36 2.653 -20.097 0.203 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.265 -18.200 -1.539 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.388 -19.198 -2.441 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.100 -20.164 -2.328 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.328 -21.230 -1.673 1.00 0.00 H new ATOM 522 N CYS A 37 4.460 -18.209 -1.813 1.00 0.00 N ATOM 523 CA CYS A 37 5.818 -18.037 -2.325 1.00 0.00 C ATOM 524 C CYS A 37 6.700 -17.349 -1.291 1.00 0.00 C ATOM 525 O CYS A 37 7.865 -17.708 -1.118 1.00 0.00 O ATOM 526 CB CYS A 37 5.834 -17.230 -3.630 1.00 0.00 C ATOM 527 SG CYS A 37 4.922 -15.674 -3.580 1.00 0.00 S ATOM 0 H CYS A 37 3.749 -17.654 -2.290 1.00 0.00 H new ATOM 0 HA CYS A 37 6.211 -19.032 -2.532 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.870 -17.018 -3.895 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.422 -17.849 -4.427 1.00 0.00 H new ATOM 532 N GLY A 38 6.139 -16.359 -0.608 1.00 0.00 N ATOM 533 CA GLY A 38 6.892 -15.636 0.397 1.00 0.00 C ATOM 534 C GLY A 38 7.650 -14.460 -0.183 1.00 0.00 C ATOM 535 O GLY A 38 8.879 -14.427 -0.146 1.00 0.00 O ATOM 0 H GLY A 38 5.177 -16.044 -0.732 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.211 -15.280 1.170 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.595 -16.316 0.879 1.00 0.00 H new ATOM 539 N LEU A 39 6.916 -13.487 -0.717 1.00 0.00 N ATOM 540 CA LEU A 39 7.534 -12.302 -1.300 1.00 0.00 C ATOM 541 C LEU A 39 6.995 -11.044 -0.634 1.00 0.00 C ATOM 542 O LEU A 39 5.959 -11.082 0.021 1.00 0.00 O ATOM 543 CB LEU A 39 7.301 -12.263 -2.818 1.00 0.00 C ATOM 544 CG LEU A 39 6.003 -11.584 -3.278 1.00 0.00 C ATOM 545 CD1 LEU A 39 6.313 -10.345 -4.105 1.00 0.00 C ATOM 546 CD2 LEU A 39 5.145 -12.554 -4.076 1.00 0.00 C ATOM 0 H LEU A 39 5.897 -13.496 -0.758 1.00 0.00 H new ATOM 0 HA LEU A 39 8.609 -12.347 -1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.142 -11.748 -3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.306 -13.286 -3.194 1.00 0.00 H new ATOM 0 HG LEU A 39 5.445 -11.278 -2.393 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.381 -9.877 -4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.887 -9.640 -3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.894 -10.629 -4.983 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.230 -12.054 -4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.697 -12.891 -4.953 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.893 -13.413 -3.454 1.00 0.00 H new ATOM 558 N VAL A 40 7.700 -9.934 -0.798 1.00 0.00 N ATOM 559 CA VAL A 40 7.279 -8.676 -0.199 1.00 0.00 C ATOM 560 C VAL A 40 6.795 -7.688 -1.255 1.00 0.00 C ATOM 561 O VAL A 40 7.541 -7.316 -2.162 1.00 0.00 O ATOM 562 CB VAL A 40 8.423 -8.033 0.609 1.00 0.00 C ATOM 563 CG1 VAL A 40 9.581 -7.653 -0.303 1.00 0.00 C ATOM 564 CG2 VAL A 40 7.920 -6.820 1.378 1.00 0.00 C ATOM 0 H VAL A 40 8.563 -9.879 -1.339 1.00 0.00 H new ATOM 0 HA VAL A 40 6.452 -8.909 0.472 1.00 0.00 H new ATOM 0 HB VAL A 40 8.787 -8.766 1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.377 -7.201 0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.961 -8.546 -0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.236 -6.940 -1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.742 -6.380 1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.525 -6.084 0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.132 -7.126 2.065 1.00 0.00 H new ATOM 574 N VAL A 41 5.543 -7.264 -1.128 1.00 0.00 N ATOM 575 CA VAL A 41 4.957 -6.314 -2.065 1.00 0.00 C ATOM 576 C VAL A 41 4.417 -5.089 -1.335 1.00 0.00 C ATOM 577 O VAL A 41 3.258 -5.061 -0.920 1.00 0.00 O ATOM 578 CB VAL A 41 3.817 -6.952 -2.881 1.00 0.00 C ATOM 579 CG1 VAL A 41 3.370 -6.020 -3.995 1.00 0.00 C ATOM 580 CG2 VAL A 41 4.252 -8.297 -3.443 1.00 0.00 C ATOM 0 H VAL A 41 4.913 -7.564 -0.384 1.00 0.00 H new ATOM 0 HA VAL A 41 5.753 -6.012 -2.746 1.00 0.00 H new ATOM 0 HB VAL A 41 2.969 -7.118 -2.217 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.564 -6.489 -4.560 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.015 -5.083 -3.565 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.210 -5.819 -4.660 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.434 -8.733 -4.017 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.117 -8.158 -4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.517 -8.965 -2.624 1.00 0.00 H new ATOM 590 N GLY A 42 5.266 -4.078 -1.180 1.00 0.00 N ATOM 591 CA GLY A 42 4.855 -2.864 -0.499 1.00 0.00 C ATOM 592 C GLY A 42 3.687 -2.183 -1.186 1.00 0.00 C ATOM 593 O GLY A 42 3.467 -2.370 -2.382 1.00 0.00 O ATOM 0 H GLY A 42 6.230 -4.078 -1.513 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.580 -3.102 0.528 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.698 -2.174 -0.452 1.00 0.00 H new ATOM 597 N ASP A 43 2.936 -1.391 -0.427 1.00 0.00 N ATOM 598 CA ASP A 43 1.784 -0.680 -0.969 1.00 0.00 C ATOM 599 C ASP A 43 2.199 0.237 -2.115 1.00 0.00 C ATOM 600 O ASP A 43 1.424 0.481 -3.040 1.00 0.00 O ATOM 601 CB ASP A 43 1.100 0.136 0.128 1.00 0.00 C ATOM 602 CG ASP A 43 0.542 -0.737 1.235 1.00 0.00 C ATOM 603 OD1 ASP A 43 1.198 -1.739 1.587 1.00 0.00 O ATOM 604 OD2 ASP A 43 -0.550 -0.417 1.749 1.00 0.00 O ATOM 0 H ASP A 43 3.105 -1.226 0.565 1.00 0.00 H new ATOM 0 HA ASP A 43 1.082 -1.419 -1.355 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.815 0.842 0.551 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.293 0.723 -0.310 1.00 0.00 H new ATOM 609 N ARG A 44 3.427 0.741 -2.049 1.00 0.00 N ATOM 610 CA ARG A 44 3.946 1.631 -3.081 1.00 0.00 C ATOM 611 C ARG A 44 4.103 0.893 -4.406 1.00 0.00 C ATOM 612 O ARG A 44 5.108 0.220 -4.638 1.00 0.00 O ATOM 613 CB ARG A 44 5.290 2.219 -2.649 1.00 0.00 C ATOM 614 CG ARG A 44 5.170 3.273 -1.559 1.00 0.00 C ATOM 615 CD ARG A 44 6.150 3.018 -0.423 1.00 0.00 C ATOM 616 NE ARG A 44 7.352 3.838 -0.543 1.00 0.00 N ATOM 617 CZ ARG A 44 8.189 4.078 0.465 1.00 0.00 C ATOM 618 NH1 ARG A 44 7.960 3.562 1.666 1.00 0.00 N ATOM 619 NH2 ARG A 44 9.261 4.835 0.270 1.00 0.00 N ATOM 0 H ARG A 44 4.082 0.548 -1.291 1.00 0.00 H new ATOM 0 HA ARG A 44 3.231 2.442 -3.219 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.933 1.413 -2.295 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.780 2.660 -3.517 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.354 4.260 -1.984 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.153 3.279 -1.168 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.663 3.226 0.530 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.429 1.964 -0.415 1.00 0.00 H new ATOM 0 HE ARG A 44 7.563 4.251 -1.451 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.139 2.977 1.822 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.605 3.750 2.433 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.444 5.233 -0.651 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.902 5.019 1.041 1.00 0.00 H new ATOM 633 N VAL A 45 3.105 1.024 -5.274 1.00 0.00 N ATOM 634 CA VAL A 45 3.134 0.370 -6.576 1.00 0.00 C ATOM 635 C VAL A 45 2.433 1.221 -7.633 1.00 0.00 C ATOM 636 O VAL A 45 1.449 0.794 -8.240 1.00 0.00 O ATOM 637 CB VAL A 45 2.472 -1.022 -6.520 1.00 0.00 C ATOM 638 CG1 VAL A 45 1.008 -0.905 -6.121 1.00 0.00 C ATOM 639 CG2 VAL A 45 2.613 -1.737 -7.856 1.00 0.00 C ATOM 0 H VAL A 45 2.266 1.577 -5.099 1.00 0.00 H new ATOM 0 HA VAL A 45 4.182 0.251 -6.850 1.00 0.00 H new ATOM 0 HB VAL A 45 2.984 -1.615 -5.762 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.560 -1.898 -6.087 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.935 -0.440 -5.138 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.480 -0.293 -6.852 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.140 -2.717 -7.796 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.131 -1.148 -8.636 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.670 -1.858 -8.094 1.00 0.00 H new ATOM 649 N ILE A 46 2.946 2.428 -7.849 1.00 0.00 N ATOM 650 CA ILE A 46 2.372 3.338 -8.831 1.00 0.00 C ATOM 651 C ILE A 46 2.922 3.060 -10.226 1.00 0.00 C ATOM 652 O ILE A 46 3.719 3.834 -10.757 1.00 0.00 O ATOM 653 CB ILE A 46 2.647 4.808 -8.463 1.00 0.00 C ATOM 654 CG1 ILE A 46 2.292 5.065 -6.997 1.00 0.00 C ATOM 655 CG2 ILE A 46 1.861 5.738 -9.375 1.00 0.00 C ATOM 656 CD1 ILE A 46 2.791 6.397 -6.479 1.00 0.00 C ATOM 0 H ILE A 46 3.759 2.798 -7.356 1.00 0.00 H new ATOM 0 HA ILE A 46 1.295 3.168 -8.829 1.00 0.00 H new ATOM 0 HB ILE A 46 3.710 5.009 -8.600 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.209 5.022 -6.881 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.711 4.266 -6.385 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.066 6.773 -9.103 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.158 5.569 -10.410 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.795 5.538 -9.267 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.503 6.512 -5.434 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.877 6.436 -6.563 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.352 7.203 -7.067 1.00 0.00 H new ATOM 668 N ASP A 47 2.493 1.947 -10.814 1.00 0.00 N ATOM 669 CA ASP A 47 2.945 1.566 -12.148 1.00 0.00 C ATOM 670 C ASP A 47 1.850 1.809 -13.182 1.00 0.00 C ATOM 671 O ASP A 47 1.114 0.895 -13.550 1.00 0.00 O ATOM 672 CB ASP A 47 3.363 0.094 -12.165 1.00 0.00 C ATOM 673 CG ASP A 47 4.865 -0.082 -12.061 1.00 0.00 C ATOM 674 OD1 ASP A 47 5.589 0.480 -12.911 1.00 0.00 O ATOM 675 OD2 ASP A 47 5.318 -0.778 -11.128 1.00 0.00 O ATOM 0 H ASP A 47 1.834 1.294 -10.389 1.00 0.00 H new ATOM 0 HA ASP A 47 3.806 2.184 -12.405 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.881 -0.427 -11.338 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.008 -0.371 -13.085 1.00 0.00 H new ATOM 680 N VAL A 48 1.748 3.051 -13.646 1.00 0.00 N ATOM 681 CA VAL A 48 0.745 3.417 -14.639 1.00 0.00 C ATOM 682 C VAL A 48 1.388 4.079 -15.851 1.00 0.00 C ATOM 683 O VAL A 48 2.164 5.024 -15.716 1.00 0.00 O ATOM 684 CB VAL A 48 -0.311 4.371 -14.046 1.00 0.00 C ATOM 685 CG1 VAL A 48 -1.433 4.615 -15.044 1.00 0.00 C ATOM 686 CG2 VAL A 48 -0.861 3.818 -12.739 1.00 0.00 C ATOM 0 H VAL A 48 2.348 3.821 -13.350 1.00 0.00 H new ATOM 0 HA VAL A 48 0.256 2.494 -14.950 1.00 0.00 H new ATOM 0 HB VAL A 48 0.170 5.326 -13.835 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.168 5.291 -14.607 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.023 5.062 -15.950 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.912 3.668 -15.291 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.605 4.506 -12.337 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.325 2.848 -12.921 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.048 3.703 -12.022 1.00 0.00 H new ATOM 696 N GLY A 49 1.060 3.577 -17.038 1.00 0.00 N ATOM 697 CA GLY A 49 1.615 4.134 -18.258 1.00 0.00 C ATOM 698 C GLY A 49 1.166 5.562 -18.499 1.00 0.00 C ATOM 699 O GLY A 49 0.080 5.958 -18.077 1.00 0.00 O ATOM 0 H GLY A 49 0.420 2.795 -17.176 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.703 4.102 -18.206 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.318 3.515 -19.105 1.00 0.00 H new ATOM 703 N SER A 50 2.005 6.337 -19.178 1.00 0.00 N ATOM 704 CA SER A 50 1.689 7.730 -19.474 1.00 0.00 C ATOM 705 C SER A 50 1.263 7.893 -20.929 1.00 0.00 C ATOM 706 O SER A 50 1.222 6.923 -21.687 1.00 0.00 O ATOM 707 CB SER A 50 2.895 8.624 -19.177 1.00 0.00 C ATOM 708 OG SER A 50 3.842 7.952 -18.365 1.00 0.00 O ATOM 0 H SER A 50 2.909 6.025 -19.534 1.00 0.00 H new ATOM 0 HA SER A 50 0.858 8.032 -18.836 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.365 8.928 -20.112 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.563 9.533 -18.676 1.00 0.00 H new ATOM 0 HG SER A 50 4.603 8.544 -18.192 1.00 0.00 H new ATOM 714 N GLU A 51 0.949 9.125 -21.315 1.00 0.00 N ATOM 715 CA GLU A 51 0.527 9.413 -22.681 1.00 0.00 C ATOM 716 C GLU A 51 1.303 10.594 -23.258 1.00 0.00 C ATOM 717 O GLU A 51 0.814 11.299 -24.140 1.00 0.00 O ATOM 718 CB GLU A 51 -0.974 9.708 -22.721 1.00 0.00 C ATOM 719 CG GLU A 51 -1.828 8.477 -22.979 1.00 0.00 C ATOM 720 CD GLU A 51 -2.795 8.669 -24.132 1.00 0.00 C ATOM 721 OE1 GLU A 51 -2.328 8.903 -25.266 1.00 0.00 O ATOM 722 OE2 GLU A 51 -4.020 8.587 -23.899 1.00 0.00 O ATOM 0 H GLU A 51 0.979 9.940 -20.702 1.00 0.00 H new ATOM 0 HA GLU A 51 0.736 8.534 -23.290 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.273 10.156 -21.773 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.170 10.446 -23.499 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.179 7.627 -23.191 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.388 8.232 -22.077 1.00 0.00 H new ATOM 729 N TRP A 52 2.517 10.804 -22.757 1.00 0.00 N ATOM 730 CA TRP A 52 3.357 11.899 -23.226 1.00 0.00 C ATOM 731 C TRP A 52 4.273 11.435 -24.355 1.00 0.00 C ATOM 732 O TRP A 52 5.321 10.839 -24.111 1.00 0.00 O ATOM 733 CB TRP A 52 4.192 12.462 -22.075 1.00 0.00 C ATOM 734 CG TRP A 52 3.436 13.420 -21.210 1.00 0.00 C ATOM 735 CD1 TRP A 52 3.088 14.701 -21.525 1.00 0.00 C ATOM 736 CD2 TRP A 52 2.936 13.181 -19.889 1.00 0.00 C ATOM 737 NE1 TRP A 52 2.401 15.273 -20.482 1.00 0.00 N ATOM 738 CE2 TRP A 52 2.295 14.360 -19.466 1.00 0.00 C ATOM 739 CE3 TRP A 52 2.968 12.083 -19.024 1.00 0.00 C ATOM 740 CZ2 TRP A 52 1.691 14.472 -18.216 1.00 0.00 C ATOM 741 CZ3 TRP A 52 2.367 12.196 -17.784 1.00 0.00 C ATOM 742 CH2 TRP A 52 1.735 13.381 -17.390 1.00 0.00 C ATOM 0 H TRP A 52 2.940 10.230 -22.027 1.00 0.00 H new ATOM 0 HA TRP A 52 2.705 12.685 -23.609 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.555 11.638 -21.461 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.068 12.965 -22.483 1.00 0.00 H new ATOM 0 HD1 TRP A 52 3.319 15.193 -22.458 1.00 0.00 H new ATOM 0 HE1 TRP A 52 2.030 16.223 -20.466 1.00 0.00 H new ATOM 0 HE3 TRP A 52 3.453 11.164 -19.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 1.205 15.387 -17.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.386 11.355 -17.107 1.00 0.00 H new ATOM 0 HH2 TRP A 52 1.273 13.436 -16.415 1.00 0.00 H new ATOM 753 N ARG A 53 3.869 11.715 -25.590 1.00 0.00 N ATOM 754 CA ARG A 53 4.651 11.326 -26.759 1.00 0.00 C ATOM 755 C ARG A 53 4.751 9.809 -26.869 1.00 0.00 C ATOM 756 O ARG A 53 5.056 9.124 -25.893 1.00 0.00 O ATOM 757 CB ARG A 53 6.053 11.936 -26.689 1.00 0.00 C ATOM 758 CG ARG A 53 6.843 11.793 -27.980 1.00 0.00 C ATOM 759 CD ARG A 53 8.239 11.244 -27.724 1.00 0.00 C ATOM 760 NE ARG A 53 9.070 12.186 -26.978 1.00 0.00 N ATOM 761 CZ ARG A 53 9.676 13.236 -27.526 1.00 0.00 C ATOM 762 NH1 ARG A 53 9.544 13.484 -28.824 1.00 0.00 N ATOM 763 NH2 ARG A 53 10.414 14.043 -26.776 1.00 0.00 N ATOM 0 H ARG A 53 3.004 12.210 -25.808 1.00 0.00 H new ATOM 0 HA ARG A 53 4.141 11.704 -27.645 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.968 12.994 -26.440 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.607 11.461 -25.879 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.310 11.130 -28.662 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.917 12.763 -28.471 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.164 10.309 -27.169 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.718 11.013 -28.676 1.00 0.00 H new ATOM 0 HE ARG A 53 9.193 12.029 -25.978 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.976 12.868 -29.406 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.011 14.290 -29.239 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.517 13.859 -25.778 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.878 14.848 -27.197 1.00 0.00 H new ATOM 777 N THR A 54 4.490 9.289 -28.063 1.00 0.00 N ATOM 778 CA THR A 54 4.550 7.851 -28.302 1.00 0.00 C ATOM 779 C THR A 54 5.990 7.394 -28.508 1.00 0.00 C ATOM 780 O THR A 54 6.925 8.186 -28.398 1.00 0.00 O ATOM 781 CB THR A 54 3.705 7.480 -29.522 1.00 0.00 C ATOM 782 OG1 THR A 54 4.208 8.106 -30.689 1.00 0.00 O ATOM 783 CG2 THR A 54 2.249 7.870 -29.384 1.00 0.00 C ATOM 0 H THR A 54 4.235 9.842 -28.881 1.00 0.00 H new ATOM 0 HA THR A 54 4.149 7.345 -27.424 1.00 0.00 H new ATOM 0 HB THR A 54 3.768 6.394 -29.597 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.656 7.855 -31.459 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.707 7.578 -30.284 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.817 7.364 -28.520 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.173 8.949 -29.248 1.00 0.00 H new ATOM 791 N PHE A 55 6.160 6.111 -28.809 1.00 0.00 N ATOM 792 CA PHE A 55 7.487 5.548 -29.032 1.00 0.00 C ATOM 793 C PHE A 55 8.355 5.687 -27.785 1.00 0.00 C ATOM 794 O PHE A 55 7.874 6.080 -26.723 1.00 0.00 O ATOM 795 CB PHE A 55 8.162 6.234 -30.222 1.00 0.00 C ATOM 796 CG PHE A 55 8.643 5.275 -31.274 1.00 0.00 C ATOM 797 CD1 PHE A 55 7.757 4.728 -32.188 1.00 0.00 C ATOM 798 CD2 PHE A 55 9.980 4.921 -31.346 1.00 0.00 C ATOM 799 CE1 PHE A 55 8.197 3.846 -33.156 1.00 0.00 C ATOM 800 CE2 PHE A 55 10.426 4.039 -32.313 1.00 0.00 C ATOM 801 CZ PHE A 55 9.532 3.501 -33.218 1.00 0.00 C ATOM 0 H PHE A 55 5.396 5.442 -28.904 1.00 0.00 H new ATOM 0 HA PHE A 55 7.372 4.487 -29.253 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.459 6.934 -30.674 1.00 0.00 H new ATOM 0 HB3 PHE A 55 9.008 6.820 -29.862 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.711 4.994 -32.143 1.00 0.00 H new ATOM 0 HD2 PHE A 55 10.682 5.338 -30.639 1.00 0.00 H new ATOM 0 HE1 PHE A 55 7.497 3.427 -33.864 1.00 0.00 H new ATOM 0 HE2 PHE A 55 11.471 3.771 -32.361 1.00 0.00 H new ATOM 0 HZ PHE A 55 9.877 2.811 -33.974 1.00 0.00 H new ATOM 811 N SER A 56 9.636 5.361 -27.923 1.00 0.00 N ATOM 812 CA SER A 56 10.574 5.449 -26.809 1.00 0.00 C ATOM 813 C SER A 56 10.168 4.509 -25.678 1.00 0.00 C ATOM 814 O SER A 56 8.984 4.239 -25.476 1.00 0.00 O ATOM 815 CB SER A 56 10.655 6.889 -26.292 1.00 0.00 C ATOM 816 OG SER A 56 9.632 7.152 -25.346 1.00 0.00 O ATOM 0 H SER A 56 10.049 5.033 -28.796 1.00 0.00 H new ATOM 0 HA SER A 56 11.557 5.147 -27.171 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.630 7.060 -25.835 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.569 7.584 -27.128 1.00 0.00 H new ATOM 0 HG SER A 56 8.767 7.199 -25.804 1.00 0.00 H new ATOM 822 N ASN A 57 11.157 4.014 -24.943 1.00 0.00 N ATOM 823 CA ASN A 57 10.904 3.104 -23.831 1.00 0.00 C ATOM 824 C ASN A 57 10.186 1.846 -24.311 1.00 0.00 C ATOM 825 O ASN A 57 8.967 1.843 -24.483 1.00 0.00 O ATOM 826 CB ASN A 57 10.072 3.801 -22.753 1.00 0.00 C ATOM 827 CG ASN A 57 10.933 4.449 -21.687 1.00 0.00 C ATOM 828 OD1 ASN A 57 11.010 5.673 -21.593 1.00 0.00 O ATOM 829 ND2 ASN A 57 11.588 3.626 -20.876 1.00 0.00 N ATOM 0 H ASN A 57 12.142 4.227 -25.097 1.00 0.00 H new ATOM 0 HA ASN A 57 11.865 2.813 -23.406 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.442 4.559 -23.218 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.406 3.075 -22.286 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.184 4.003 -20.139 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.495 2.617 -20.990 1.00 0.00 H new ATOM 836 N ASP A 58 10.950 0.779 -24.522 1.00 0.00 N ATOM 837 CA ASP A 58 10.386 -0.485 -24.982 1.00 0.00 C ATOM 838 C ASP A 58 11.021 -1.662 -24.248 1.00 0.00 C ATOM 839 O ASP A 58 10.325 -2.472 -23.635 1.00 0.00 O ATOM 840 CB ASP A 58 10.589 -0.639 -26.490 1.00 0.00 C ATOM 841 CG ASP A 58 9.671 -1.685 -27.092 1.00 0.00 C ATOM 842 OD1 ASP A 58 9.542 -2.775 -26.496 1.00 0.00 O ATOM 843 OD2 ASP A 58 9.082 -1.414 -28.159 1.00 0.00 O ATOM 0 H ASP A 58 11.960 0.764 -24.382 1.00 0.00 H new ATOM 0 HA ASP A 58 9.318 -0.479 -24.766 1.00 0.00 H new ATOM 0 HB2 ASP A 58 10.412 0.320 -26.978 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.626 -0.911 -26.689 1.00 0.00 H new ATOM 848 N LYS A 59 12.345 -1.750 -24.314 1.00 0.00 N ATOM 849 CA LYS A 59 13.073 -2.829 -23.656 1.00 0.00 C ATOM 850 C LYS A 59 13.659 -2.358 -22.329 1.00 0.00 C ATOM 851 O LYS A 59 13.158 -2.707 -21.259 1.00 0.00 O ATOM 852 CB LYS A 59 14.190 -3.346 -24.564 1.00 0.00 C ATOM 853 CG LYS A 59 13.686 -4.137 -25.761 1.00 0.00 C ATOM 854 CD LYS A 59 13.687 -5.631 -25.481 1.00 0.00 C ATOM 855 CE LYS A 59 15.085 -6.217 -25.589 1.00 0.00 C ATOM 856 NZ LYS A 59 15.054 -7.685 -25.836 1.00 0.00 N ATOM 857 OXT LYS A 59 14.803 -1.501 -22.327 1.00 0.00 O ATOM 0 H LYS A 59 12.936 -1.087 -24.816 1.00 0.00 H new ATOM 0 HA LYS A 59 12.371 -3.639 -23.457 1.00 0.00 H new ATOM 0 HB2 LYS A 59 14.778 -2.500 -24.920 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.860 -3.976 -23.979 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.676 -3.814 -26.013 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.313 -3.928 -26.627 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.290 -5.815 -24.483 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.025 -6.135 -26.185 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.624 -5.724 -26.398 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.635 -6.015 -24.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.027 -8.046 -25.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.562 -8.159 -25.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.551 -7.877 -26.726 1.00 0.00 H new TER 871 LYS A 59 HETATM 872 ZN ZN A 60 2.673 -16.088 -3.856 1.00 0.00 ZN