USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 434 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 32 HIS HD1 : A 32 HIS ND1 : A 63 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0103 USER MOD Single : A 7 HIS : no HD1:sc= -0.332 X(o=-0.33,f=-0.37) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl 174:sc= 0 (180deg=-0.00627) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= 0.141 USER MOD Single : A 26 THR OG1 : rot -39:sc= 0.458 USER MOD Single : A 29 SER OG : rot 115:sc= 1.75 USER MOD Single : A 30 SER OG : rot 71:sc= 1.19 USER MOD Single : A 31 TYR OH : rot 45:sc= 0.879 USER MOD Single : A 34 HIS : no HD1:sc= -0.164 K(o=-0.16,f=-3.1!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0.0931 X(o=0.093,f=-0.26) USER MOD Single : A 54 THR OG1 : rot 72:sc= 0.155 USER MOD Single : A 55 CYS SG : rot 180:sc= -0.338 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.566 -0.079 13.103 1.00 0.00 N ATOM 2 CA GLY A 1 -8.468 1.147 12.278 1.00 0.00 C ATOM 3 C GLY A 1 -9.778 1.484 11.602 1.00 0.00 C ATOM 4 O GLY A 1 -10.201 0.781 10.685 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.646 -0.273 13.548 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.286 0.056 13.841 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.835 -0.883 12.500 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.159 1.982 12.906 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.694 1.014 11.522 1.00 0.00 H new ATOM 10 N PRO A 2 -10.468 2.540 12.058 1.00 0.00 N ATOM 11 CA PRO A 2 -11.757 2.950 11.492 1.00 0.00 C ATOM 12 C PRO A 2 -11.642 3.326 10.020 1.00 0.00 C ATOM 13 O PRO A 2 -10.691 3.997 9.610 1.00 0.00 O ATOM 14 CB PRO A 2 -12.150 4.175 12.325 1.00 0.00 C ATOM 15 CG PRO A 2 -11.346 4.067 13.573 1.00 0.00 C ATOM 16 CD PRO A 2 -10.061 3.404 13.176 1.00 0.00 C ATOM 0 HA PRO A 2 -12.491 2.145 11.530 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -11.930 5.101 11.793 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -13.218 4.178 12.543 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -11.161 5.050 14.005 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -11.872 3.481 14.327 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -9.309 4.131 12.871 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -9.633 2.828 13.997 1.00 0.00 H new ATOM 24 N LEU A 3 -12.575 2.843 9.224 1.00 0.00 N ATOM 25 CA LEU A 3 -12.564 3.100 7.795 1.00 0.00 C ATOM 26 C LEU A 3 -13.531 4.221 7.446 1.00 0.00 C ATOM 27 O LEU A 3 -14.740 4.112 7.673 1.00 0.00 O ATOM 28 CB LEU A 3 -12.932 1.833 7.027 1.00 0.00 C ATOM 29 CG LEU A 3 -11.748 0.942 6.651 1.00 0.00 C ATOM 30 CD1 LEU A 3 -11.843 -0.400 7.358 1.00 0.00 C ATOM 31 CD2 LEU A 3 -11.688 0.749 5.145 1.00 0.00 C ATOM 0 H LEU A 3 -13.354 2.268 9.543 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.558 3.407 7.509 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.630 1.251 7.629 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -13.458 2.118 6.116 1.00 0.00 H new ATOM 0 HG LEU A 3 -10.830 1.434 6.973 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -10.992 -1.020 7.078 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -11.839 -0.244 8.437 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -12.767 -0.900 7.067 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.840 0.112 4.893 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -12.609 0.279 4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.572 1.717 4.658 1.00 0.00 H new ATOM 43 N GLY A 4 -12.998 5.291 6.876 1.00 0.00 N ATOM 44 CA GLY A 4 -13.830 6.402 6.469 1.00 0.00 C ATOM 45 C GLY A 4 -14.414 6.179 5.092 1.00 0.00 C ATOM 46 O GLY A 4 -14.141 5.158 4.456 1.00 0.00 O ATOM 0 H GLY A 4 -12.002 5.409 6.688 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.636 6.538 7.190 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.241 7.319 6.472 1.00 0.00 H new ATOM 50 N SER A 5 -15.190 7.134 4.609 1.00 0.00 N ATOM 51 CA SER A 5 -15.797 7.030 3.289 1.00 0.00 C ATOM 52 C SER A 5 -14.808 7.441 2.197 1.00 0.00 C ATOM 53 O SER A 5 -15.119 8.257 1.328 1.00 0.00 O ATOM 54 CB SER A 5 -17.056 7.894 3.229 1.00 0.00 C ATOM 55 OG SER A 5 -17.630 8.039 4.520 1.00 0.00 O ATOM 0 H SER A 5 -15.416 7.993 5.111 1.00 0.00 H new ATOM 0 HA SER A 5 -16.072 5.990 3.113 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.810 8.875 2.823 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.781 7.442 2.552 1.00 0.00 H new ATOM 0 HG SER A 5 -18.434 8.597 4.460 1.00 0.00 H new ATOM 61 N ASP A 6 -13.622 6.849 2.237 1.00 0.00 N ATOM 62 CA ASP A 6 -12.593 7.128 1.246 1.00 0.00 C ATOM 63 C ASP A 6 -12.597 6.050 0.177 1.00 0.00 C ATOM 64 O ASP A 6 -12.303 4.887 0.455 1.00 0.00 O ATOM 65 CB ASP A 6 -11.214 7.207 1.903 1.00 0.00 C ATOM 66 CG ASP A 6 -10.693 8.629 1.986 1.00 0.00 C ATOM 67 OD1 ASP A 6 -10.440 9.239 0.927 1.00 0.00 O ATOM 68 OD2 ASP A 6 -10.547 9.147 3.113 1.00 0.00 O ATOM 0 H ASP A 6 -13.349 6.170 2.948 1.00 0.00 H new ATOM 0 HA ASP A 6 -12.811 8.092 0.785 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.268 6.784 2.906 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.510 6.597 1.337 1.00 0.00 H new ATOM 73 N HIS A 7 -12.993 6.427 -1.027 1.00 0.00 N ATOM 74 CA HIS A 7 -13.115 5.482 -2.132 1.00 0.00 C ATOM 75 C HIS A 7 -11.794 5.333 -2.877 1.00 0.00 C ATOM 76 O HIS A 7 -11.629 4.416 -3.682 1.00 0.00 O ATOM 77 CB HIS A 7 -14.225 5.909 -3.108 1.00 0.00 C ATOM 78 CG HIS A 7 -14.631 7.351 -3.002 1.00 0.00 C ATOM 79 ND1 HIS A 7 -15.620 7.755 -2.138 1.00 0.00 N ATOM 80 CD2 HIS A 7 -14.150 8.434 -3.657 1.00 0.00 C ATOM 81 CE1 HIS A 7 -15.714 9.068 -2.282 1.00 0.00 C ATOM 82 NE2 HIS A 7 -14.842 9.523 -3.192 1.00 0.00 N ATOM 0 H HIS A 7 -13.238 7.387 -1.268 1.00 0.00 H new ATOM 0 HA HIS A 7 -13.382 4.516 -1.705 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -13.890 5.714 -4.127 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -15.102 5.285 -2.936 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -13.370 8.439 -4.404 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -16.405 9.692 -1.736 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -14.717 10.493 -3.483 1.00 0.00 H new ATOM 90 N HIS A 8 -10.841 6.202 -2.563 1.00 0.00 N ATOM 91 CA HIS A 8 -9.513 6.139 -3.159 1.00 0.00 C ATOM 92 C HIS A 8 -8.480 6.726 -2.206 1.00 0.00 C ATOM 93 O HIS A 8 -8.747 7.719 -1.528 1.00 0.00 O ATOM 94 CB HIS A 8 -9.484 6.893 -4.492 1.00 0.00 C ATOM 95 CG HIS A 8 -8.489 6.345 -5.470 1.00 0.00 C ATOM 96 ND1 HIS A 8 -8.879 5.557 -6.525 1.00 0.00 N ATOM 97 CD2 HIS A 8 -7.142 6.492 -5.503 1.00 0.00 C ATOM 98 CE1 HIS A 8 -7.769 5.244 -7.172 1.00 0.00 C ATOM 99 NE2 HIS A 8 -6.693 5.789 -6.589 1.00 0.00 N ATOM 0 H HIS A 8 -10.965 6.963 -1.895 1.00 0.00 H new ATOM 0 HA HIS A 8 -9.270 5.093 -3.346 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -10.477 6.860 -4.940 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -9.254 7.941 -4.302 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.539 7.055 -4.807 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -7.734 4.627 -8.058 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.724 5.698 -6.895 1.00 0.00 H new ATOM 107 N MET A 9 -7.313 6.100 -2.141 1.00 0.00 N ATOM 108 CA MET A 9 -6.249 6.557 -1.264 1.00 0.00 C ATOM 109 C MET A 9 -4.952 6.745 -2.040 1.00 0.00 C ATOM 110 O MET A 9 -4.341 5.778 -2.495 1.00 0.00 O ATOM 111 CB MET A 9 -6.031 5.561 -0.126 1.00 0.00 C ATOM 112 CG MET A 9 -5.909 6.226 1.230 1.00 0.00 C ATOM 113 SD MET A 9 -6.437 5.160 2.585 1.00 0.00 S ATOM 114 CE MET A 9 -7.779 6.134 3.266 1.00 0.00 C ATOM 0 H MET A 9 -7.081 5.271 -2.688 1.00 0.00 H new ATOM 0 HA MET A 9 -6.547 7.518 -0.844 1.00 0.00 H new ATOM 0 HB2 MET A 9 -6.861 4.855 -0.105 1.00 0.00 H new ATOM 0 HB3 MET A 9 -5.128 4.984 -0.324 1.00 0.00 H new ATOM 0 HG2 MET A 9 -4.873 6.523 1.391 1.00 0.00 H new ATOM 0 HG3 MET A 9 -6.507 7.137 1.237 1.00 0.00 H new ATOM 0 HE1 MET A 9 -8.282 5.564 4.047 1.00 0.00 H new ATOM 0 HE2 MET A 9 -7.381 7.056 3.689 1.00 0.00 H new ATOM 0 HE3 MET A 9 -8.491 6.374 2.477 1.00 0.00 H new ATOM 124 N GLU A 10 -4.528 7.992 -2.169 1.00 0.00 N ATOM 125 CA GLU A 10 -3.293 8.318 -2.870 1.00 0.00 C ATOM 126 C GLU A 10 -2.097 8.154 -1.942 1.00 0.00 C ATOM 127 O GLU A 10 -0.976 7.926 -2.391 1.00 0.00 O ATOM 128 CB GLU A 10 -3.348 9.750 -3.402 1.00 0.00 C ATOM 129 CG GLU A 10 -4.576 10.033 -4.252 1.00 0.00 C ATOM 130 CD GLU A 10 -5.135 11.423 -4.037 1.00 0.00 C ATOM 131 OE1 GLU A 10 -5.087 11.921 -2.891 1.00 0.00 O ATOM 132 OE2 GLU A 10 -5.626 12.023 -5.014 1.00 0.00 O ATOM 0 H GLU A 10 -5.024 8.801 -1.795 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.182 7.633 -3.710 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.330 10.443 -2.561 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.453 9.944 -3.994 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.320 9.909 -5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.347 9.298 -4.023 1.00 0.00 H new ATOM 139 N PHE A 11 -2.362 8.200 -0.648 1.00 0.00 N ATOM 140 CA PHE A 11 -1.330 7.981 0.351 1.00 0.00 C ATOM 141 C PHE A 11 -1.437 6.566 0.899 1.00 0.00 C ATOM 142 O PHE A 11 -2.459 5.899 0.721 1.00 0.00 O ATOM 143 CB PHE A 11 -1.437 9.010 1.486 1.00 0.00 C ATOM 144 CG PHE A 11 -2.746 8.988 2.233 1.00 0.00 C ATOM 145 CD1 PHE A 11 -3.862 9.635 1.724 1.00 0.00 C ATOM 146 CD2 PHE A 11 -2.856 8.334 3.451 1.00 0.00 C ATOM 147 CE1 PHE A 11 -5.059 9.626 2.413 1.00 0.00 C ATOM 148 CE2 PHE A 11 -4.053 8.321 4.142 1.00 0.00 C ATOM 149 CZ PHE A 11 -5.155 8.968 3.622 1.00 0.00 C ATOM 0 H PHE A 11 -3.288 8.388 -0.263 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.355 8.106 -0.121 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.627 8.836 2.194 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.288 10.007 1.070 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.794 10.152 0.778 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.996 7.829 3.865 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.920 10.134 2.005 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.126 7.805 5.088 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.091 8.959 4.160 1.00 0.00 H new ATOM 159 N CYS A 12 -0.361 6.080 1.501 1.00 0.00 N ATOM 160 CA CYS A 12 -0.338 4.719 2.008 1.00 0.00 C ATOM 161 C CYS A 12 -1.212 4.586 3.249 1.00 0.00 C ATOM 162 O CYS A 12 -1.362 5.534 4.012 1.00 0.00 O ATOM 163 CB CYS A 12 1.096 4.274 2.287 1.00 0.00 C ATOM 164 SG CYS A 12 1.686 4.590 3.961 1.00 0.00 S ATOM 0 H CYS A 12 0.501 6.605 1.649 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.750 4.060 1.244 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.173 3.205 2.088 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.759 4.778 1.584 1.00 0.00 H new ATOM 170 N ARG A 13 -1.879 3.449 3.375 1.00 0.00 N ATOM 171 CA ARG A 13 -2.844 3.244 4.448 1.00 0.00 C ATOM 172 C ARG A 13 -2.165 3.189 5.817 1.00 0.00 C ATOM 173 O ARG A 13 -2.612 3.838 6.759 1.00 0.00 O ATOM 174 CB ARG A 13 -3.638 1.958 4.209 1.00 0.00 C ATOM 175 CG ARG A 13 -4.411 1.953 2.899 1.00 0.00 C ATOM 176 CD ARG A 13 -5.814 1.388 3.070 1.00 0.00 C ATOM 177 NE ARG A 13 -5.805 0.061 3.681 1.00 0.00 N ATOM 178 CZ ARG A 13 -5.717 -1.080 2.992 1.00 0.00 C ATOM 179 NH1 ARG A 13 -5.712 -1.069 1.664 1.00 0.00 N ATOM 180 NH2 ARG A 13 -5.649 -2.241 3.629 1.00 0.00 N ATOM 0 H ARG A 13 -1.771 2.652 2.747 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.524 4.096 4.445 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.952 1.111 4.220 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.336 1.814 5.034 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.474 2.970 2.511 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.869 1.362 2.160 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.404 2.066 3.687 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.303 1.335 2.097 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.870 0.002 4.697 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.776 -0.184 1.161 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.644 -1.946 1.147 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.664 -2.265 4.649 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.582 -3.110 3.099 1.00 0.00 H new ATOM 194 N VAL A 14 -1.137 2.353 5.937 1.00 0.00 N ATOM 195 CA VAL A 14 -0.484 2.123 7.226 1.00 0.00 C ATOM 196 C VAL A 14 0.276 3.360 7.710 1.00 0.00 C ATOM 197 O VAL A 14 -0.194 4.075 8.593 1.00 0.00 O ATOM 198 CB VAL A 14 0.475 0.916 7.166 1.00 0.00 C ATOM 199 CG1 VAL A 14 0.737 0.377 8.564 1.00 0.00 C ATOM 200 CG2 VAL A 14 -0.094 -0.177 6.273 1.00 0.00 C ATOM 0 H VAL A 14 -0.738 1.824 5.161 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.279 1.906 7.940 1.00 0.00 H new ATOM 0 HB VAL A 14 1.421 1.250 6.739 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.415 -0.474 8.505 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.188 1.158 9.177 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.204 0.060 9.014 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.597 -1.019 6.244 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.054 -0.508 6.670 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.234 0.213 5.265 1.00 0.00 H new ATOM 210 N CYS A 15 1.433 3.633 7.120 1.00 0.00 N ATOM 211 CA CYS A 15 2.221 4.794 7.518 1.00 0.00 C ATOM 212 C CYS A 15 1.831 6.078 6.791 1.00 0.00 C ATOM 213 O CYS A 15 2.635 7.001 6.713 1.00 0.00 O ATOM 214 CB CYS A 15 3.726 4.508 7.422 1.00 0.00 C ATOM 215 SG CYS A 15 4.225 3.115 6.344 1.00 0.00 S ATOM 0 H CYS A 15 1.844 3.074 6.372 1.00 0.00 H new ATOM 0 HA CYS A 15 1.983 4.976 8.566 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.223 5.410 7.065 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.101 4.313 8.427 1.00 0.00 H new ATOM 220 N LYS A 16 0.540 6.165 6.433 1.00 0.00 N ATOM 221 CA LYS A 16 -0.097 7.370 5.856 1.00 0.00 C ATOM 222 C LYS A 16 0.887 8.335 5.195 1.00 0.00 C ATOM 223 O LYS A 16 1.014 9.488 5.606 1.00 0.00 O ATOM 224 CB LYS A 16 -0.888 8.105 6.939 1.00 0.00 C ATOM 225 CG LYS A 16 -2.069 7.316 7.474 1.00 0.00 C ATOM 226 CD LYS A 16 -2.314 7.606 8.947 1.00 0.00 C ATOM 227 CE LYS A 16 -2.994 8.950 9.149 1.00 0.00 C ATOM 228 NZ LYS A 16 -3.897 8.944 10.329 1.00 0.00 N ATOM 0 H LYS A 16 -0.108 5.385 6.537 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.759 7.016 5.065 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.219 8.345 7.765 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.248 9.051 6.535 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.962 7.563 6.900 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.887 6.250 7.338 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.932 6.817 9.375 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.365 7.594 9.483 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.237 9.724 9.275 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.565 9.205 8.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.341 9.879 10.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.635 8.223 10.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.348 8.726 11.185 1.00 0.00 H new ATOM 242 N ASP A 17 1.610 7.846 4.202 1.00 0.00 N ATOM 243 CA ASP A 17 2.629 8.654 3.541 1.00 0.00 C ATOM 244 C ASP A 17 2.801 8.223 2.089 1.00 0.00 C ATOM 245 O ASP A 17 2.446 7.098 1.727 1.00 0.00 O ATOM 246 CB ASP A 17 3.957 8.525 4.293 1.00 0.00 C ATOM 247 CG ASP A 17 5.020 9.472 3.779 1.00 0.00 C ATOM 248 OD1 ASP A 17 4.933 10.684 4.057 1.00 0.00 O ATOM 249 OD2 ASP A 17 5.948 9.005 3.093 1.00 0.00 O ATOM 0 H ASP A 17 1.514 6.899 3.835 1.00 0.00 H new ATOM 0 HA ASP A 17 2.310 9.696 3.551 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.789 8.717 5.353 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.319 7.500 4.208 1.00 0.00 H new ATOM 254 N GLY A 18 3.338 9.115 1.267 1.00 0.00 N ATOM 255 CA GLY A 18 3.559 8.805 -0.130 1.00 0.00 C ATOM 256 C GLY A 18 5.031 8.684 -0.461 1.00 0.00 C ATOM 257 O GLY A 18 5.778 8.011 0.250 1.00 0.00 O ATOM 0 H GLY A 18 3.626 10.053 1.546 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.054 7.871 -0.378 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.112 9.583 -0.749 1.00 0.00 H new ATOM 261 N GLY A 19 5.445 9.330 -1.545 1.00 0.00 N ATOM 262 CA GLY A 19 6.831 9.262 -1.973 1.00 0.00 C ATOM 263 C GLY A 19 7.131 7.957 -2.674 1.00 0.00 C ATOM 264 O GLY A 19 6.963 7.846 -3.888 1.00 0.00 O ATOM 0 H GLY A 19 4.843 9.902 -2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.047 10.094 -2.643 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.486 9.371 -1.108 1.00 0.00 H new ATOM 268 N GLU A 20 7.400 6.927 -1.886 1.00 0.00 N ATOM 269 CA GLU A 20 7.521 5.578 -2.411 1.00 0.00 C ATOM 270 C GLU A 20 6.132 4.975 -2.515 1.00 0.00 C ATOM 271 O GLU A 20 5.568 4.546 -1.510 1.00 0.00 O ATOM 272 CB GLU A 20 8.403 4.723 -1.497 1.00 0.00 C ATOM 273 CG GLU A 20 9.315 3.771 -2.250 1.00 0.00 C ATOM 274 CD GLU A 20 10.652 4.396 -2.576 1.00 0.00 C ATOM 275 OE1 GLU A 20 11.575 4.304 -1.741 1.00 0.00 O ATOM 276 OE2 GLU A 20 10.788 4.988 -3.667 1.00 0.00 O ATOM 0 H GLU A 20 7.539 7.001 -0.878 1.00 0.00 H new ATOM 0 HA GLU A 20 7.988 5.608 -3.395 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.011 5.380 -0.875 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.766 4.148 -0.825 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.472 2.873 -1.653 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.828 3.458 -3.173 1.00 0.00 H new ATOM 283 N LEU A 21 5.497 5.175 -3.660 1.00 0.00 N ATOM 284 CA LEU A 21 4.089 4.850 -3.797 1.00 0.00 C ATOM 285 C LEU A 21 3.858 3.660 -4.717 1.00 0.00 C ATOM 286 O LEU A 21 3.644 3.820 -5.921 1.00 0.00 O ATOM 287 CB LEU A 21 3.315 6.070 -4.312 1.00 0.00 C ATOM 288 CG LEU A 21 2.174 6.561 -3.413 1.00 0.00 C ATOM 289 CD1 LEU A 21 2.332 6.045 -1.990 1.00 0.00 C ATOM 290 CD2 LEU A 21 2.118 8.080 -3.426 1.00 0.00 C ATOM 0 H LEU A 21 5.931 5.558 -4.500 1.00 0.00 H new ATOM 0 HA LEU A 21 3.723 4.573 -2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.019 6.890 -4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.903 5.829 -5.292 1.00 0.00 H new ATOM 0 HG LEU A 21 1.236 6.168 -3.806 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.508 6.410 -1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.325 4.955 -1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.276 6.400 -1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.305 8.420 -2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.062 8.482 -3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.947 8.429 -4.444 1.00 0.00 H new ATOM 302 N LEU A 22 3.705 2.500 -4.105 1.00 0.00 N ATOM 303 CA LEU A 22 3.263 1.308 -4.806 1.00 0.00 C ATOM 304 C LEU A 22 1.744 1.324 -4.900 1.00 0.00 C ATOM 305 O LEU A 22 1.074 1.976 -4.095 1.00 0.00 O ATOM 306 CB LEU A 22 3.719 0.048 -4.070 1.00 0.00 C ATOM 307 CG LEU A 22 4.718 -0.825 -4.829 1.00 0.00 C ATOM 308 CD1 LEU A 22 5.425 -1.768 -3.872 1.00 0.00 C ATOM 309 CD2 LEU A 22 4.018 -1.608 -5.933 1.00 0.00 C ATOM 0 H LEU A 22 3.883 2.357 -3.111 1.00 0.00 H new ATOM 0 HA LEU A 22 3.700 1.300 -5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.167 0.343 -3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.841 -0.554 -3.835 1.00 0.00 H new ATOM 0 HG LEU A 22 5.462 -0.177 -5.292 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.134 -2.384 -4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.959 -1.189 -3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.691 -2.409 -3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.747 -2.223 -6.461 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.252 -2.248 -5.495 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.554 -0.914 -6.633 1.00 0.00 H new ATOM 321 N CYS A 23 1.204 0.649 -5.895 1.00 0.00 N ATOM 322 CA CYS A 23 -0.234 0.630 -6.100 1.00 0.00 C ATOM 323 C CYS A 23 -0.841 -0.667 -5.584 1.00 0.00 C ATOM 324 O CYS A 23 -0.373 -1.753 -5.929 1.00 0.00 O ATOM 325 CB CYS A 23 -0.553 0.797 -7.586 1.00 0.00 C ATOM 326 SG CYS A 23 0.899 1.107 -8.618 1.00 0.00 S ATOM 0 H CYS A 23 1.737 0.106 -6.575 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.668 1.459 -5.541 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.055 -0.102 -7.943 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -1.255 1.622 -7.706 1.00 0.00 H new ATOM 0 HG CYS A 23 0.531 1.232 -9.859 1.00 0.00 H new ATOM 332 N CYS A 24 -1.899 -0.537 -4.786 1.00 0.00 N ATOM 333 CA CYS A 24 -2.644 -1.674 -4.271 1.00 0.00 C ATOM 334 C CYS A 24 -3.064 -2.611 -5.401 1.00 0.00 C ATOM 335 O CYS A 24 -3.303 -2.171 -6.533 1.00 0.00 O ATOM 336 CB CYS A 24 -3.882 -1.164 -3.546 1.00 0.00 C ATOM 337 SG CYS A 24 -3.803 -1.272 -1.736 1.00 0.00 S ATOM 0 H CYS A 24 -2.262 0.366 -4.480 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.006 -2.232 -3.586 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -4.048 -0.124 -3.827 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.747 -1.729 -3.892 1.00 0.00 H new ATOM 342 N ASP A 25 -3.116 -3.901 -5.103 1.00 0.00 N ATOM 343 CA ASP A 25 -3.447 -4.901 -6.109 1.00 0.00 C ATOM 344 C ASP A 25 -4.875 -4.736 -6.616 1.00 0.00 C ATOM 345 O ASP A 25 -5.091 -4.401 -7.780 1.00 0.00 O ATOM 346 CB ASP A 25 -3.250 -6.309 -5.560 1.00 0.00 C ATOM 347 CG ASP A 25 -3.512 -7.367 -6.607 1.00 0.00 C ATOM 348 OD1 ASP A 25 -2.723 -7.469 -7.571 1.00 0.00 O ATOM 349 OD2 ASP A 25 -4.515 -8.096 -6.477 1.00 0.00 O ATOM 0 H ASP A 25 -2.934 -4.280 -4.174 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.769 -4.750 -6.949 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.231 -6.413 -5.186 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.918 -6.464 -4.713 1.00 0.00 H new ATOM 354 N THR A 26 -5.849 -5.013 -5.766 1.00 0.00 N ATOM 355 CA THR A 26 -7.243 -4.928 -6.167 1.00 0.00 C ATOM 356 C THR A 26 -7.961 -3.812 -5.406 1.00 0.00 C ATOM 357 O THR A 26 -9.159 -3.574 -5.590 1.00 0.00 O ATOM 358 CB THR A 26 -7.964 -6.280 -5.958 1.00 0.00 C ATOM 359 OG1 THR A 26 -9.340 -6.180 -6.338 1.00 0.00 O ATOM 360 CG2 THR A 26 -7.863 -6.745 -4.512 1.00 0.00 C ATOM 0 H THR A 26 -5.701 -5.298 -4.798 1.00 0.00 H new ATOM 0 HA THR A 26 -7.271 -4.690 -7.230 1.00 0.00 H new ATOM 0 HB THR A 26 -7.469 -7.016 -6.591 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.695 -5.312 -6.055 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.380 -7.698 -4.399 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.814 -6.867 -4.241 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.322 -6.003 -3.858 1.00 0.00 H new ATOM 368 N CYS A 27 -7.216 -3.139 -4.548 1.00 0.00 N ATOM 369 CA CYS A 27 -7.749 -2.063 -3.740 1.00 0.00 C ATOM 370 C CYS A 27 -7.366 -0.701 -4.334 1.00 0.00 C ATOM 371 O CYS A 27 -6.553 -0.630 -5.259 1.00 0.00 O ATOM 372 CB CYS A 27 -7.206 -2.226 -2.324 1.00 0.00 C ATOM 373 SG CYS A 27 -6.383 -3.834 -2.066 1.00 0.00 S ATOM 0 H CYS A 27 -6.225 -3.325 -4.393 1.00 0.00 H new ATOM 0 HA CYS A 27 -8.838 -2.105 -3.721 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.499 -1.423 -2.116 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -8.024 -2.123 -1.611 1.00 0.00 H new ATOM 378 N PRO A 28 -8.022 0.385 -3.894 1.00 0.00 N ATOM 379 CA PRO A 28 -7.798 1.717 -4.438 1.00 0.00 C ATOM 380 C PRO A 28 -6.825 2.538 -3.596 1.00 0.00 C ATOM 381 O PRO A 28 -6.917 3.768 -3.543 1.00 0.00 O ATOM 382 CB PRO A 28 -9.194 2.321 -4.371 1.00 0.00 C ATOM 383 CG PRO A 28 -9.801 1.724 -3.141 1.00 0.00 C ATOM 384 CD PRO A 28 -9.118 0.395 -2.909 1.00 0.00 C ATOM 0 HA PRO A 28 -7.353 1.697 -5.433 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.153 3.408 -4.306 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.776 2.076 -5.260 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -9.662 2.383 -2.284 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.875 1.588 -3.268 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.740 0.312 -1.890 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.803 -0.439 -3.064 1.00 0.00 H new ATOM 392 N SER A 29 -5.937 1.860 -2.891 1.00 0.00 N ATOM 393 CA SER A 29 -4.993 2.533 -2.018 1.00 0.00 C ATOM 394 C SER A 29 -3.604 2.569 -2.640 1.00 0.00 C ATOM 395 O SER A 29 -3.348 1.946 -3.670 1.00 0.00 O ATOM 396 CB SER A 29 -4.935 1.825 -0.662 1.00 0.00 C ATOM 397 OG SER A 29 -5.698 0.632 -0.674 1.00 0.00 O ATOM 0 H SER A 29 -5.850 0.844 -2.906 1.00 0.00 H new ATOM 0 HA SER A 29 -5.334 3.559 -1.877 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.899 1.595 -0.413 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.309 2.491 0.115 1.00 0.00 H new ATOM 0 HG SER A 29 -5.102 -0.138 -0.565 1.00 0.00 H new ATOM 403 N SER A 30 -2.698 3.241 -1.962 1.00 0.00 N ATOM 404 CA SER A 30 -1.307 3.261 -2.353 1.00 0.00 C ATOM 405 C SER A 30 -0.465 2.888 -1.142 1.00 0.00 C ATOM 406 O SER A 30 -0.973 2.891 -0.020 1.00 0.00 O ATOM 407 CB SER A 30 -0.924 4.638 -2.892 1.00 0.00 C ATOM 408 OG SER A 30 -1.951 5.164 -3.727 1.00 0.00 O ATOM 0 H SER A 30 -2.906 3.787 -1.126 1.00 0.00 H new ATOM 0 HA SER A 30 -1.130 2.541 -3.152 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.741 5.320 -2.061 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.006 4.566 -3.455 1.00 0.00 H new ATOM 0 HG SER A 30 -2.722 5.418 -3.177 1.00 0.00 H new ATOM 414 N TYR A 31 0.750 2.425 -1.369 1.00 0.00 N ATOM 415 CA TYR A 31 1.577 1.924 -0.280 1.00 0.00 C ATOM 416 C TYR A 31 3.029 2.340 -0.458 1.00 0.00 C ATOM 417 O TYR A 31 3.430 2.743 -1.538 1.00 0.00 O ATOM 418 CB TYR A 31 1.497 0.397 -0.218 1.00 0.00 C ATOM 419 CG TYR A 31 0.378 -0.136 0.648 1.00 0.00 C ATOM 420 CD1 TYR A 31 -0.919 -0.223 0.160 1.00 0.00 C ATOM 421 CD2 TYR A 31 0.620 -0.567 1.944 1.00 0.00 C ATOM 422 CE1 TYR A 31 -1.942 -0.721 0.942 1.00 0.00 C ATOM 423 CE2 TYR A 31 -0.397 -1.071 2.730 1.00 0.00 C ATOM 424 CZ TYR A 31 -1.676 -1.146 2.223 1.00 0.00 C ATOM 425 OH TYR A 31 -2.689 -1.653 3.000 1.00 0.00 O ATOM 0 H TYR A 31 1.187 2.384 -2.290 1.00 0.00 H new ATOM 0 HA TYR A 31 1.200 2.352 0.649 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.372 0.011 -1.230 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.445 0.011 0.156 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -1.131 0.104 -0.847 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.621 -0.507 2.345 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.947 -0.777 0.550 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.191 -1.405 3.736 1.00 0.00 H new ATOM 0 HH TYR A 31 -3.228 -2.275 2.469 1.00 0.00 H new ATOM 435 N HIS A 32 3.832 2.052 0.548 1.00 0.00 N ATOM 436 CA HIS A 32 5.277 2.167 0.442 1.00 0.00 C ATOM 437 C HIS A 32 5.815 0.818 -0.002 1.00 0.00 C ATOM 438 O HIS A 32 5.051 -0.042 -0.437 1.00 0.00 O ATOM 439 CB HIS A 32 5.902 2.508 1.804 1.00 0.00 C ATOM 440 CG HIS A 32 5.898 3.957 2.176 1.00 0.00 C ATOM 441 ND1 HIS A 32 5.055 4.453 3.143 1.00 0.00 N ATOM 442 CD2 HIS A 32 6.701 4.960 1.744 1.00 0.00 C ATOM 443 CE1 HIS A 32 5.360 5.728 3.280 1.00 0.00 C ATOM 444 NE2 HIS A 32 6.354 6.087 2.452 1.00 0.00 N ATOM 0 H HIS A 32 3.504 1.733 1.460 1.00 0.00 H new ATOM 0 HA HIS A 32 5.525 2.958 -0.266 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.370 1.952 2.576 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.933 2.154 1.809 1.00 0.00 H new ATOM 0 HD2 HIS A 32 7.468 4.888 0.987 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.872 6.399 3.971 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.770 7.014 2.365 1.00 0.00 H new ATOM 452 N ILE A 33 7.049 0.539 0.363 1.00 0.00 N ATOM 453 CA ILE A 33 7.571 -0.803 0.235 1.00 0.00 C ATOM 454 C ILE A 33 7.847 -1.375 1.622 1.00 0.00 C ATOM 455 O ILE A 33 8.545 -2.378 1.765 1.00 0.00 O ATOM 456 CB ILE A 33 8.858 -0.841 -0.622 1.00 0.00 C ATOM 457 CG1 ILE A 33 9.903 0.137 -0.077 1.00 0.00 C ATOM 458 CG2 ILE A 33 8.528 -0.507 -2.068 1.00 0.00 C ATOM 459 CD1 ILE A 33 11.193 0.156 -0.871 1.00 0.00 C ATOM 0 H ILE A 33 7.704 1.219 0.748 1.00 0.00 H new ATOM 0 HA ILE A 33 6.823 -1.410 -0.274 1.00 0.00 H new ATOM 0 HB ILE A 33 9.276 -1.847 -0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.478 1.141 -0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.127 -0.124 0.957 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.439 -0.536 -2.665 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.816 -1.236 -2.456 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.091 0.490 -2.121 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.884 0.872 -0.425 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.642 -0.837 -0.860 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.983 0.447 -1.900 1.00 0.00 H new ATOM 470 N HIS A 34 7.345 -0.681 2.648 1.00 0.00 N ATOM 471 CA HIS A 34 7.630 -1.054 4.035 1.00 0.00 C ATOM 472 C HIS A 34 6.494 -0.680 4.993 1.00 0.00 C ATOM 473 O HIS A 34 6.712 -0.573 6.202 1.00 0.00 O ATOM 474 CB HIS A 34 8.936 -0.396 4.504 1.00 0.00 C ATOM 475 CG HIS A 34 9.058 1.053 4.134 1.00 0.00 C ATOM 476 ND1 HIS A 34 9.625 1.447 2.946 1.00 0.00 N ATOM 477 CD2 HIS A 34 8.673 2.154 4.822 1.00 0.00 C ATOM 478 CE1 HIS A 34 9.574 2.767 2.937 1.00 0.00 C ATOM 479 NE2 HIS A 34 9.005 3.240 4.053 1.00 0.00 N ATOM 0 H HIS A 34 6.744 0.136 2.545 1.00 0.00 H new ATOM 0 HA HIS A 34 7.730 -2.139 4.054 1.00 0.00 H new ATOM 0 HB2 HIS A 34 9.010 -0.491 5.587 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.778 -0.941 4.078 1.00 0.00 H new ATOM 0 HD2 HIS A 34 8.196 2.173 5.791 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.944 3.385 2.133 1.00 0.00 H new ATOM 0 HE2 HIS A 34 8.848 4.220 4.287 1.00 0.00 H new ATOM 487 N CYS A 35 5.270 -0.559 4.483 1.00 0.00 N ATOM 488 CA CYS A 35 4.124 -0.311 5.352 1.00 0.00 C ATOM 489 C CYS A 35 3.695 -1.601 6.040 1.00 0.00 C ATOM 490 O CYS A 35 3.086 -1.579 7.110 1.00 0.00 O ATOM 491 CB CYS A 35 2.939 0.242 4.560 1.00 0.00 C ATOM 492 SG CYS A 35 3.379 1.372 3.211 1.00 0.00 S ATOM 0 H CYS A 35 5.049 -0.627 3.490 1.00 0.00 H new ATOM 0 HA CYS A 35 4.429 0.425 6.096 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.377 -0.594 4.144 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.273 0.763 5.248 1.00 0.00 H new ATOM 497 N LEU A 36 3.926 -2.707 5.354 1.00 0.00 N ATOM 498 CA LEU A 36 3.466 -4.011 5.801 1.00 0.00 C ATOM 499 C LEU A 36 4.589 -4.791 6.471 1.00 0.00 C ATOM 500 O LEU A 36 5.754 -4.390 6.424 1.00 0.00 O ATOM 501 CB LEU A 36 2.924 -4.799 4.605 1.00 0.00 C ATOM 502 CG LEU A 36 3.153 -4.145 3.239 1.00 0.00 C ATOM 503 CD1 LEU A 36 4.212 -4.899 2.454 1.00 0.00 C ATOM 504 CD2 LEU A 36 1.851 -4.077 2.459 1.00 0.00 C ATOM 0 H LEU A 36 4.437 -2.727 4.472 1.00 0.00 H new ATOM 0 HA LEU A 36 2.674 -3.864 6.535 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.387 -5.786 4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.853 -4.949 4.744 1.00 0.00 H new ATOM 0 HG LEU A 36 3.511 -3.128 3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.359 -4.418 1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.150 -4.892 3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.888 -5.928 2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.031 -3.610 1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.464 -5.085 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.123 -3.488 3.017 1.00 0.00 H new ATOM 516 N ARG A 37 4.234 -5.933 7.045 1.00 0.00 N ATOM 517 CA ARG A 37 5.206 -6.813 7.683 1.00 0.00 C ATOM 518 C ARG A 37 6.109 -7.488 6.636 1.00 0.00 C ATOM 519 O ARG A 37 7.331 -7.361 6.710 1.00 0.00 O ATOM 520 CB ARG A 37 4.492 -7.856 8.553 1.00 0.00 C ATOM 521 CG ARG A 37 5.397 -8.537 9.567 1.00 0.00 C ATOM 522 CD ARG A 37 6.055 -7.533 10.498 1.00 0.00 C ATOM 523 NE ARG A 37 7.459 -7.321 10.161 1.00 0.00 N ATOM 524 CZ ARG A 37 8.041 -6.127 10.099 1.00 0.00 C ATOM 525 NH1 ARG A 37 7.356 -5.028 10.386 1.00 0.00 N ATOM 526 NH2 ARG A 37 9.319 -6.037 9.756 1.00 0.00 N ATOM 0 H ARG A 37 3.273 -6.274 7.082 1.00 0.00 H new ATOM 0 HA ARG A 37 5.844 -6.210 8.329 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.670 -7.373 9.081 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.052 -8.615 7.906 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.816 -9.249 10.153 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.166 -9.106 9.044 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.521 -6.584 10.445 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.977 -7.886 11.526 1.00 0.00 H new ATOM 0 HE ARG A 37 8.031 -8.142 9.960 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.375 -5.095 10.657 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.810 -4.116 10.336 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.850 -6.881 9.541 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.771 -5.124 9.707 1.00 0.00 H new ATOM 540 N PRO A 38 5.539 -8.158 5.604 1.00 0.00 N ATOM 541 CA PRO A 38 6.328 -8.751 4.522 1.00 0.00 C ATOM 542 C PRO A 38 6.792 -7.684 3.529 1.00 0.00 C ATOM 543 O PRO A 38 6.390 -7.674 2.360 1.00 0.00 O ATOM 544 CB PRO A 38 5.353 -9.731 3.843 1.00 0.00 C ATOM 545 CG PRO A 38 4.103 -9.699 4.661 1.00 0.00 C ATOM 546 CD PRO A 38 4.108 -8.379 5.371 1.00 0.00 C ATOM 0 HA PRO A 38 7.233 -9.237 4.888 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.154 -9.433 2.814 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.771 -10.737 3.808 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.220 -9.799 4.029 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.081 -10.525 5.372 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.668 -7.588 4.764 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.545 -8.416 6.303 1.00 0.00 H new ATOM 554 N ALA A 39 7.550 -6.724 4.042 1.00 0.00 N ATOM 555 CA ALA A 39 7.995 -5.581 3.263 1.00 0.00 C ATOM 556 C ALA A 39 9.177 -5.940 2.375 1.00 0.00 C ATOM 557 O ALA A 39 9.684 -7.065 2.415 1.00 0.00 O ATOM 558 CB ALA A 39 8.361 -4.436 4.193 1.00 0.00 C ATOM 0 H ALA A 39 7.872 -6.718 5.010 1.00 0.00 H new ATOM 0 HA ALA A 39 7.176 -5.271 2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.694 -3.581 3.604 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.489 -4.153 4.782 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.163 -4.751 4.860 1.00 0.00 H new ATOM 564 N LEU A 40 9.623 -4.968 1.595 1.00 0.00 N ATOM 565 CA LEU A 40 10.764 -5.144 0.713 1.00 0.00 C ATOM 566 C LEU A 40 11.714 -3.962 0.862 1.00 0.00 C ATOM 567 O LEU A 40 11.355 -2.937 1.442 1.00 0.00 O ATOM 568 CB LEU A 40 10.305 -5.266 -0.745 1.00 0.00 C ATOM 569 CG LEU A 40 8.918 -5.880 -0.949 1.00 0.00 C ATOM 570 CD1 LEU A 40 8.015 -4.919 -1.708 1.00 0.00 C ATOM 571 CD2 LEU A 40 9.023 -7.211 -1.681 1.00 0.00 C ATOM 0 H LEU A 40 9.205 -4.038 1.556 1.00 0.00 H new ATOM 0 HA LEU A 40 11.282 -6.062 0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.314 -4.273 -1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.033 -5.868 -1.288 1.00 0.00 H new ATOM 0 HG LEU A 40 8.476 -6.064 0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.033 -5.373 -1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.912 -3.993 -1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.452 -4.702 -2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.026 -7.631 -1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.486 -7.055 -2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.631 -7.901 -1.096 1.00 0.00 H new ATOM 583 N TYR A 41 12.903 -4.083 0.300 1.00 0.00 N ATOM 584 CA TYR A 41 13.871 -2.997 0.335 1.00 0.00 C ATOM 585 C TYR A 41 13.932 -2.317 -1.022 1.00 0.00 C ATOM 586 O TYR A 41 14.389 -1.181 -1.148 1.00 0.00 O ATOM 587 CB TYR A 41 15.250 -3.522 0.740 1.00 0.00 C ATOM 588 CG TYR A 41 15.279 -4.097 2.139 1.00 0.00 C ATOM 589 CD1 TYR A 41 14.515 -3.536 3.155 1.00 0.00 C ATOM 590 CD2 TYR A 41 16.059 -5.204 2.441 1.00 0.00 C ATOM 591 CE1 TYR A 41 14.531 -4.060 4.432 1.00 0.00 C ATOM 592 CE2 TYR A 41 16.079 -5.735 3.717 1.00 0.00 C ATOM 593 CZ TYR A 41 15.315 -5.158 4.708 1.00 0.00 C ATOM 594 OH TYR A 41 15.333 -5.681 5.983 1.00 0.00 O ATOM 0 H TYR A 41 13.223 -4.921 -0.186 1.00 0.00 H new ATOM 0 HA TYR A 41 13.556 -2.265 1.079 1.00 0.00 H new ATOM 0 HB2 TYR A 41 15.562 -4.289 0.032 1.00 0.00 H new ATOM 0 HB3 TYR A 41 15.975 -2.711 0.672 1.00 0.00 H new ATOM 0 HD1 TYR A 41 13.898 -2.675 2.942 1.00 0.00 H new ATOM 0 HD2 TYR A 41 16.660 -5.658 1.667 1.00 0.00 H new ATOM 0 HE1 TYR A 41 13.932 -3.611 5.210 1.00 0.00 H new ATOM 0 HE2 TYR A 41 16.690 -6.598 3.936 1.00 0.00 H new ATOM 0 HH TYR A 41 15.935 -6.454 6.011 1.00 0.00 H new ATOM 604 N GLU A 42 13.376 -2.990 -2.018 1.00 0.00 N ATOM 605 CA GLU A 42 13.259 -2.442 -3.355 1.00 0.00 C ATOM 606 C GLU A 42 11.795 -2.410 -3.755 1.00 0.00 C ATOM 607 O GLU A 42 10.961 -3.036 -3.101 1.00 0.00 O ATOM 608 CB GLU A 42 14.046 -3.291 -4.351 1.00 0.00 C ATOM 609 CG GLU A 42 15.545 -3.066 -4.301 1.00 0.00 C ATOM 610 CD GLU A 42 16.305 -4.071 -5.137 1.00 0.00 C ATOM 611 OE1 GLU A 42 16.520 -5.206 -4.666 1.00 0.00 O ATOM 612 OE2 GLU A 42 16.682 -3.731 -6.277 1.00 0.00 O ATOM 0 H GLU A 42 12.994 -3.931 -1.919 1.00 0.00 H new ATOM 0 HA GLU A 42 13.667 -1.431 -3.362 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.840 -4.344 -4.158 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.690 -3.076 -5.358 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.771 -2.059 -4.653 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.885 -3.126 -3.267 1.00 0.00 H new ATOM 619 N VAL A 43 11.491 -1.746 -4.855 1.00 0.00 N ATOM 620 CA VAL A 43 10.129 -1.709 -5.354 1.00 0.00 C ATOM 621 C VAL A 43 9.959 -2.707 -6.503 1.00 0.00 C ATOM 622 O VAL A 43 10.752 -2.724 -7.449 1.00 0.00 O ATOM 623 CB VAL A 43 9.716 -0.279 -5.796 1.00 0.00 C ATOM 624 CG1 VAL A 43 10.637 0.257 -6.884 1.00 0.00 C ATOM 625 CG2 VAL A 43 8.261 -0.249 -6.246 1.00 0.00 C ATOM 0 H VAL A 43 12.165 -1.227 -5.418 1.00 0.00 H new ATOM 0 HA VAL A 43 9.466 -1.997 -4.538 1.00 0.00 H new ATOM 0 HB VAL A 43 9.817 0.376 -4.931 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.318 1.260 -7.169 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.660 0.294 -6.509 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.593 -0.399 -7.754 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.995 0.763 -6.551 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.126 -0.929 -7.088 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.619 -0.560 -5.422 1.00 0.00 H new ATOM 635 N PRO A 44 8.998 -3.634 -6.370 1.00 0.00 N ATOM 636 CA PRO A 44 8.768 -4.686 -7.364 1.00 0.00 C ATOM 637 C PRO A 44 8.342 -4.117 -8.713 1.00 0.00 C ATOM 638 O PRO A 44 7.783 -3.022 -8.791 1.00 0.00 O ATOM 639 CB PRO A 44 7.639 -5.532 -6.760 1.00 0.00 C ATOM 640 CG PRO A 44 7.010 -4.660 -5.729 1.00 0.00 C ATOM 641 CD PRO A 44 8.108 -3.778 -5.208 1.00 0.00 C ATOM 0 HA PRO A 44 9.675 -5.257 -7.562 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.917 -5.827 -7.521 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.027 -6.449 -6.317 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.204 -4.066 -6.159 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.574 -5.256 -4.927 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.726 -2.815 -4.871 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.622 -4.231 -4.360 1.00 0.00 H new ATOM 649 N ASP A 45 8.606 -4.868 -9.768 1.00 0.00 N ATOM 650 CA ASP A 45 8.276 -4.438 -11.117 1.00 0.00 C ATOM 651 C ASP A 45 7.172 -5.311 -11.697 1.00 0.00 C ATOM 652 O ASP A 45 7.351 -6.513 -11.880 1.00 0.00 O ATOM 653 CB ASP A 45 9.524 -4.508 -12.000 1.00 0.00 C ATOM 654 CG ASP A 45 9.225 -4.282 -13.467 1.00 0.00 C ATOM 655 OD1 ASP A 45 8.686 -3.208 -13.811 1.00 0.00 O ATOM 656 OD2 ASP A 45 9.546 -5.169 -14.287 1.00 0.00 O ATOM 0 H ASP A 45 9.051 -5.784 -9.716 1.00 0.00 H new ATOM 0 HA ASP A 45 7.919 -3.409 -11.083 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.243 -3.762 -11.662 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.995 -5.483 -11.877 1.00 0.00 H new ATOM 661 N GLY A 46 6.021 -4.710 -11.950 1.00 0.00 N ATOM 662 CA GLY A 46 4.906 -5.452 -12.500 1.00 0.00 C ATOM 663 C GLY A 46 3.790 -5.653 -11.496 1.00 0.00 C ATOM 664 O GLY A 46 3.151 -4.691 -11.068 1.00 0.00 O ATOM 0 H GLY A 46 5.838 -3.720 -11.784 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.516 -4.924 -13.370 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.257 -6.424 -12.848 1.00 0.00 H new ATOM 668 N GLU A 47 3.554 -6.902 -11.128 1.00 0.00 N ATOM 669 CA GLU A 47 2.487 -7.243 -10.196 1.00 0.00 C ATOM 670 C GLU A 47 2.948 -7.097 -8.752 1.00 0.00 C ATOM 671 O GLU A 47 4.112 -7.357 -8.429 1.00 0.00 O ATOM 672 CB GLU A 47 2.014 -8.676 -10.439 1.00 0.00 C ATOM 673 CG GLU A 47 1.005 -8.801 -11.564 1.00 0.00 C ATOM 674 CD GLU A 47 -0.227 -9.575 -11.155 1.00 0.00 C ATOM 675 OE1 GLU A 47 -1.017 -9.057 -10.339 1.00 0.00 O ATOM 676 OE2 GLU A 47 -0.419 -10.703 -11.654 1.00 0.00 O ATOM 0 H GLU A 47 4.090 -7.703 -11.462 1.00 0.00 H new ATOM 0 HA GLU A 47 1.662 -6.552 -10.366 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.878 -9.301 -10.666 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.572 -9.064 -9.521 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.711 -7.805 -11.896 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.474 -9.295 -12.415 1.00 0.00 H new ATOM 683 N TRP A 48 2.007 -6.767 -7.880 1.00 0.00 N ATOM 684 CA TRP A 48 2.268 -6.685 -6.453 1.00 0.00 C ATOM 685 C TRP A 48 0.966 -6.835 -5.675 1.00 0.00 C ATOM 686 O TRP A 48 0.155 -5.910 -5.616 1.00 0.00 O ATOM 687 CB TRP A 48 2.945 -5.356 -6.088 1.00 0.00 C ATOM 688 CG TRP A 48 3.199 -5.213 -4.614 1.00 0.00 C ATOM 689 CD1 TRP A 48 4.063 -5.953 -3.857 1.00 0.00 C ATOM 690 CD2 TRP A 48 2.571 -4.285 -3.714 1.00 0.00 C ATOM 691 NE1 TRP A 48 4.015 -5.542 -2.547 1.00 0.00 N ATOM 692 CE2 TRP A 48 3.108 -4.521 -2.435 1.00 0.00 C ATOM 693 CE3 TRP A 48 1.613 -3.275 -3.863 1.00 0.00 C ATOM 694 CZ2 TRP A 48 2.719 -3.791 -1.314 1.00 0.00 C ATOM 695 CZ3 TRP A 48 1.228 -2.553 -2.750 1.00 0.00 C ATOM 696 CH2 TRP A 48 1.780 -2.814 -1.491 1.00 0.00 C ATOM 0 H TRP A 48 1.045 -6.550 -8.141 1.00 0.00 H new ATOM 0 HA TRP A 48 2.945 -7.496 -6.186 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.891 -5.277 -6.624 1.00 0.00 H new ATOM 0 HB3 TRP A 48 2.318 -4.530 -6.425 1.00 0.00 H new ATOM 0 HD1 TRP A 48 4.692 -6.746 -4.234 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.565 -5.933 -1.782 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.183 -3.064 -4.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 3.144 -3.990 -0.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.488 -1.773 -2.853 1.00 0.00 H new ATOM 0 HH2 TRP A 48 1.457 -2.231 -0.641 1.00 0.00 H new ATOM 707 N GLN A 49 0.773 -7.999 -5.080 1.00 0.00 N ATOM 708 CA GLN A 49 -0.399 -8.249 -4.260 1.00 0.00 C ATOM 709 C GLN A 49 -0.121 -7.779 -2.840 1.00 0.00 C ATOM 710 O GLN A 49 0.770 -8.309 -2.176 1.00 0.00 O ATOM 711 CB GLN A 49 -0.748 -9.739 -4.274 1.00 0.00 C ATOM 712 CG GLN A 49 -2.231 -10.022 -4.446 1.00 0.00 C ATOM 713 CD GLN A 49 -3.032 -9.688 -3.203 1.00 0.00 C ATOM 714 OE1 GLN A 49 -2.691 -10.117 -2.101 1.00 0.00 O ATOM 715 NE2 GLN A 49 -4.093 -8.917 -3.369 1.00 0.00 N ATOM 0 H GLN A 49 1.415 -8.788 -5.150 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.250 -7.699 -4.662 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.200 -10.223 -5.082 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.407 -10.191 -3.342 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.613 -9.444 -5.287 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.371 -11.074 -4.693 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.340 -8.583 -4.301 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.664 -8.656 -2.565 1.00 0.00 H new ATOM 724 N CYS A 50 -0.790 -6.708 -2.437 1.00 0.00 N ATOM 725 CA CYS A 50 -0.535 -6.076 -1.156 1.00 0.00 C ATOM 726 C CYS A 50 -0.847 -7.018 0.012 1.00 0.00 C ATOM 727 O CYS A 50 -2.002 -7.370 0.250 1.00 0.00 O ATOM 728 CB CYS A 50 -1.372 -4.803 -1.063 1.00 0.00 C ATOM 729 SG CYS A 50 -2.813 -4.798 -2.177 1.00 0.00 S ATOM 0 H CYS A 50 -1.521 -6.257 -2.988 1.00 0.00 H new ATOM 0 HA CYS A 50 0.524 -5.829 -1.088 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -1.716 -4.678 -0.036 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -0.741 -3.945 -1.294 1.00 0.00 H new ATOM 734 N PRO A 51 0.192 -7.442 0.755 1.00 0.00 N ATOM 735 CA PRO A 51 0.031 -8.337 1.904 1.00 0.00 C ATOM 736 C PRO A 51 -0.495 -7.606 3.138 1.00 0.00 C ATOM 737 O PRO A 51 0.082 -7.682 4.228 1.00 0.00 O ATOM 738 CB PRO A 51 1.445 -8.860 2.140 1.00 0.00 C ATOM 739 CG PRO A 51 2.343 -7.782 1.636 1.00 0.00 C ATOM 740 CD PRO A 51 1.607 -7.096 0.516 1.00 0.00 C ATOM 0 HA PRO A 51 -0.699 -9.124 1.716 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.621 -9.059 3.197 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.614 -9.796 1.607 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.584 -7.076 2.431 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.286 -8.198 1.282 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.763 -6.017 0.537 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.945 -7.448 -0.459 1.00 0.00 H new ATOM 748 N ARG A 52 -1.596 -6.897 2.948 1.00 0.00 N ATOM 749 CA ARG A 52 -2.250 -6.159 4.007 1.00 0.00 C ATOM 750 C ARG A 52 -3.755 -6.248 3.818 1.00 0.00 C ATOM 751 O ARG A 52 -4.467 -6.840 4.630 1.00 0.00 O ATOM 752 CB ARG A 52 -1.802 -4.699 3.982 1.00 0.00 C ATOM 753 CG ARG A 52 -0.946 -4.308 5.169 1.00 0.00 C ATOM 754 CD ARG A 52 -1.802 -4.017 6.384 1.00 0.00 C ATOM 755 NE ARG A 52 -1.615 -5.010 7.440 1.00 0.00 N ATOM 756 CZ ARG A 52 -2.562 -5.853 7.846 1.00 0.00 C ATOM 757 NH1 ARG A 52 -3.782 -5.778 7.335 1.00 0.00 N ATOM 758 NH2 ARG A 52 -2.305 -6.750 8.792 1.00 0.00 N ATOM 0 H ARG A 52 -2.062 -6.819 2.044 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.979 -6.587 4.972 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.243 -4.515 3.065 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.683 -4.058 3.953 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.246 -5.112 5.397 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.352 -3.429 4.919 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.558 -3.027 6.770 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.851 -3.994 6.090 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.703 -5.060 7.894 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.997 -5.074 6.629 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.506 -6.425 7.647 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.377 -6.796 9.212 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.036 -7.392 9.098 1.00 0.00 H new ATOM 772 N CYS A 53 -4.211 -5.748 2.683 1.00 0.00 N ATOM 773 CA CYS A 53 -5.602 -5.820 2.299 1.00 0.00 C ATOM 774 C CYS A 53 -5.894 -7.148 1.599 1.00 0.00 C ATOM 775 O CYS A 53 -6.483 -7.183 0.516 1.00 0.00 O ATOM 776 CB CYS A 53 -5.882 -4.648 1.376 1.00 0.00 C ATOM 777 SG CYS A 53 -4.388 -3.658 1.025 1.00 0.00 S ATOM 0 H CYS A 53 -3.618 -5.278 1.999 1.00 0.00 H new ATOM 0 HA CYS A 53 -6.246 -5.769 3.177 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -6.296 -5.019 0.438 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.640 -4.008 1.827 1.00 0.00 H new ATOM 782 N THR A 54 -5.392 -8.224 2.184 1.00 0.00 N ATOM 783 CA THR A 54 -5.503 -9.547 1.599 1.00 0.00 C ATOM 784 C THR A 54 -6.896 -10.139 1.811 1.00 0.00 C ATOM 785 O THR A 54 -7.086 -11.028 2.640 1.00 0.00 O ATOM 786 CB THR A 54 -4.449 -10.490 2.205 1.00 0.00 C ATOM 787 OG1 THR A 54 -3.774 -9.830 3.289 1.00 0.00 O ATOM 788 CG2 THR A 54 -3.437 -10.912 1.153 1.00 0.00 C ATOM 0 H THR A 54 -4.897 -8.203 3.076 1.00 0.00 H new ATOM 0 HA THR A 54 -5.331 -9.446 0.527 1.00 0.00 H new ATOM 0 HB THR A 54 -4.954 -11.381 2.578 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.381 -9.755 4.055 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.701 -11.578 1.603 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.949 -11.431 0.343 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.934 -10.030 0.758 1.00 0.00 H new ATOM 796 N CYS A 55 -7.861 -9.648 1.050 1.00 0.00 N ATOM 797 CA CYS A 55 -9.220 -10.159 1.114 1.00 0.00 C ATOM 798 C CYS A 55 -9.514 -10.997 -0.126 1.00 0.00 C ATOM 799 O CYS A 55 -9.636 -10.461 -1.228 1.00 0.00 O ATOM 800 CB CYS A 55 -10.225 -9.010 1.225 1.00 0.00 C ATOM 801 SG CYS A 55 -9.475 -7.396 1.539 1.00 0.00 S ATOM 0 H CYS A 55 -7.727 -8.893 0.378 1.00 0.00 H new ATOM 0 HA CYS A 55 -9.317 -10.784 2.001 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -10.802 -8.956 0.302 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -10.928 -9.234 2.027 1.00 0.00 H new ATOM 0 HG CYS A 55 -10.406 -6.492 1.614 1.00 0.00 H new ATOM 807 N PRO A 56 -9.539 -12.330 0.027 1.00 0.00 N ATOM 808 CA PRO A 56 -9.737 -13.256 -1.094 1.00 0.00 C ATOM 809 C PRO A 56 -11.049 -13.011 -1.830 1.00 0.00 C ATOM 810 O PRO A 56 -12.104 -12.855 -1.207 1.00 0.00 O ATOM 811 CB PRO A 56 -9.753 -14.635 -0.428 1.00 0.00 C ATOM 812 CG PRO A 56 -9.018 -14.448 0.852 1.00 0.00 C ATOM 813 CD PRO A 56 -9.316 -13.045 1.296 1.00 0.00 C ATOM 0 HA PRO A 56 -8.960 -13.141 -1.850 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.773 -14.977 -0.252 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.269 -15.383 -1.056 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.344 -15.172 1.599 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -7.947 -14.594 0.712 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -10.194 -13.005 1.941 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.487 -12.616 1.859 1.00 0.00 H new ATOM 821 N ALA A 57 -10.962 -12.957 -3.158 1.00 0.00 N ATOM 822 CA ALA A 57 -12.122 -12.727 -4.017 1.00 0.00 C ATOM 823 C ALA A 57 -12.808 -11.400 -3.692 1.00 0.00 C ATOM 824 O ALA A 57 -14.014 -11.354 -3.441 1.00 0.00 O ATOM 825 CB ALA A 57 -13.108 -13.885 -3.914 1.00 0.00 C ATOM 0 H ALA A 57 -10.086 -13.071 -3.668 1.00 0.00 H new ATOM 0 HA ALA A 57 -11.764 -12.669 -5.045 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.964 -13.693 -4.561 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.619 -14.808 -4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -13.448 -13.983 -2.883 1.00 0.00 H new ATOM 831 N LEU A 58 -12.041 -10.318 -3.729 1.00 0.00 N ATOM 832 CA LEU A 58 -12.586 -8.989 -3.476 1.00 0.00 C ATOM 833 C LEU A 58 -13.415 -8.518 -4.665 1.00 0.00 C ATOM 834 O LEU A 58 -14.340 -7.716 -4.514 1.00 0.00 O ATOM 835 CB LEU A 58 -11.461 -7.990 -3.194 1.00 0.00 C ATOM 836 CG LEU A 58 -11.926 -6.635 -2.654 1.00 0.00 C ATOM 837 CD1 LEU A 58 -11.859 -6.611 -1.137 1.00 0.00 C ATOM 838 CD2 LEU A 58 -11.090 -5.510 -3.241 1.00 0.00 C ATOM 0 H LEU A 58 -11.041 -10.334 -3.931 1.00 0.00 H new ATOM 0 HA LEU A 58 -13.230 -9.047 -2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.771 -8.434 -2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -10.901 -7.826 -4.115 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.963 -6.486 -2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.194 -5.639 -0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -12.503 -7.392 -0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.832 -6.785 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.436 -4.555 -2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.044 -5.656 -2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.190 -5.510 -4.326 1.00 0.00 H new ATOM 850 N LYS A 59 -13.076 -9.044 -5.842 1.00 0.00 N ATOM 851 CA LYS A 59 -13.766 -8.716 -7.084 1.00 0.00 C ATOM 852 C LYS A 59 -13.629 -7.232 -7.405 1.00 0.00 C ATOM 853 O LYS A 59 -14.620 -6.524 -7.593 1.00 0.00 O ATOM 854 CB LYS A 59 -15.240 -9.123 -7.014 1.00 0.00 C ATOM 855 CG LYS A 59 -15.502 -10.533 -7.522 1.00 0.00 C ATOM 856 CD LYS A 59 -16.983 -10.782 -7.748 1.00 0.00 C ATOM 857 CE LYS A 59 -17.264 -12.251 -8.009 1.00 0.00 C ATOM 858 NZ LYS A 59 -17.630 -12.979 -6.763 1.00 0.00 N ATOM 0 H LYS A 59 -12.313 -9.711 -5.958 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.297 -9.282 -7.889 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -15.582 -9.047 -5.982 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -15.832 -8.418 -7.598 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -14.960 -10.691 -8.454 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -15.117 -11.256 -6.803 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -17.546 -10.452 -6.875 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -17.328 -10.188 -8.594 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -18.074 -12.342 -8.733 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -16.384 -12.715 -8.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -17.814 -13.978 -6.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -16.848 -12.915 -6.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -18.485 -12.554 -6.351 1.00 0.00 H new ATOM 872 N GLY A 60 -12.387 -6.775 -7.479 1.00 0.00 N ATOM 873 CA GLY A 60 -12.121 -5.389 -7.806 1.00 0.00 C ATOM 874 C GLY A 60 -11.406 -5.255 -9.132 1.00 0.00 C ATOM 875 O GLY A 60 -10.788 -4.228 -9.418 1.00 0.00 O ATOM 0 H GLY A 60 -11.555 -7.343 -7.318 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.060 -4.837 -7.841 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.516 -4.939 -7.019 1.00 0.00 H new ATOM 879 N LYS A 61 -11.507 -6.292 -9.948 1.00 0.00 N ATOM 880 CA LYS A 61 -10.892 -6.298 -11.264 1.00 0.00 C ATOM 881 C LYS A 61 -11.871 -6.852 -12.284 1.00 0.00 C ATOM 882 O LYS A 61 -11.708 -6.563 -13.486 1.00 0.00 O ATOM 883 CB LYS A 61 -9.611 -7.136 -11.254 1.00 0.00 C ATOM 884 CG LYS A 61 -8.353 -6.322 -11.000 1.00 0.00 C ATOM 885 CD LYS A 61 -7.339 -6.496 -12.119 1.00 0.00 C ATOM 886 CE LYS A 61 -6.030 -5.791 -11.798 1.00 0.00 C ATOM 887 NZ LYS A 61 -5.584 -4.921 -12.916 1.00 0.00 N ATOM 888 OXT LYS A 61 -12.805 -7.572 -11.874 1.00 0.00 O ATOM 0 H LYS A 61 -12.014 -7.147 -9.719 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.631 -5.275 -11.535 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.696 -7.906 -10.487 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.515 -7.649 -12.211 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.614 -5.268 -10.905 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.907 -6.626 -10.053 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.152 -7.558 -12.280 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.749 -6.100 -13.048 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.152 -5.191 -10.896 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.260 -6.533 -11.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.689 -4.458 -12.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.443 -5.498 -13.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.307 -4.197 -13.103 1.00 0.00 H new TER 902 LYS A 61 HETATM 903 ZN ZN A 62 -4.328 -3.391 -1.236 1.00 0.00 ZN HETATM 904 ZN ZN A 63 3.624 3.453 4.142 1.00 0.00 ZN