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 180:sc= 0 USER MOD Single : A 5 SER OG : rot 21:sc= 0.36 USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.24 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 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.141 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0473 USER MOD Single : A 56 SER OG : rot 37:sc= 0.464 USER MOD Single : A 57 ASN : amide:sc= -0.0333 K(o=-0.033,f=-1.6!) USER MOD Single : A 59 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.116) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 3.199 2.785 -28.533 1.00 0.00 N ATOM 2 CA ALA A 2 4.028 1.552 -28.523 1.00 0.00 C ATOM 3 C ALA A 2 3.636 0.638 -27.368 1.00 0.00 C ATOM 4 O ALA A 2 3.384 -0.551 -27.561 1.00 0.00 O ATOM 5 CB ALA A 2 5.503 1.910 -28.435 1.00 0.00 C ATOM 0 HA ALA A 2 3.849 1.016 -29.455 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.099 0.997 -28.428 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.781 2.519 -29.295 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.687 2.470 -27.518 1.00 0.00 H new ATOM 13 N SER A 3 3.587 1.201 -26.165 1.00 0.00 N ATOM 14 CA SER A 3 3.224 0.438 -24.977 1.00 0.00 C ATOM 15 C SER A 3 1.820 0.797 -24.505 1.00 0.00 C ATOM 16 O SER A 3 1.358 1.922 -24.701 1.00 0.00 O ATOM 17 CB SER A 3 4.233 0.691 -23.855 1.00 0.00 C ATOM 18 OG SER A 3 5.517 0.205 -24.204 1.00 0.00 O ATOM 0 H SER A 3 3.794 2.184 -25.987 1.00 0.00 H new ATOM 0 HA SER A 3 3.239 -0.620 -25.238 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.290 1.759 -23.647 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.893 0.205 -22.940 1.00 0.00 H new ATOM 0 HG SER A 3 6.144 0.381 -23.471 1.00 0.00 H new ATOM 24 N THR A 4 1.145 -0.163 -23.881 1.00 0.00 N ATOM 25 CA THR A 4 -0.206 0.054 -23.382 1.00 0.00 C ATOM 26 C THR A 4 -0.364 -0.511 -21.974 1.00 0.00 C ATOM 27 O THR A 4 0.405 -1.376 -21.551 1.00 0.00 O ATOM 28 CB THR A 4 -1.229 -0.590 -24.320 1.00 0.00 C ATOM 29 OG1 THR A 4 -0.951 -0.260 -25.669 1.00 0.00 O ATOM 30 CG2 THR A 4 -2.655 -0.172 -24.029 1.00 0.00 C ATOM 0 H THR A 4 1.513 -1.099 -23.709 1.00 0.00 H new ATOM 0 HA THR A 4 -0.384 1.129 -23.345 1.00 0.00 H new ATOM 0 HB THR A 4 -1.140 -1.663 -24.150 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.615 -0.683 -26.253 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.329 -0.665 -24.730 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.918 -0.459 -23.011 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.746 0.909 -24.136 1.00 0.00 H new ATOM 38 N SER A 5 -1.365 -0.018 -21.251 1.00 0.00 N ATOM 39 CA SER A 5 -1.622 -0.475 -19.892 1.00 0.00 C ATOM 40 C SER A 5 -3.103 -0.345 -19.545 1.00 0.00 C ATOM 41 O SER A 5 -3.873 0.264 -20.287 1.00 0.00 O ATOM 42 CB SER A 5 -0.781 0.325 -18.895 1.00 0.00 C ATOM 43 OG SER A 5 0.545 -0.172 -18.833 1.00 0.00 O ATOM 0 H SER A 5 -2.011 0.698 -21.585 1.00 0.00 H new ATOM 0 HA SER A 5 -1.343 -1.527 -19.830 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.766 1.375 -19.187 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.238 0.276 -17.907 1.00 0.00 H new ATOM 0 HG SER A 5 0.741 -0.684 -19.645 1.00 0.00 H new ATOM 49 N ARG A 6 -3.493 -0.921 -18.412 1.00 0.00 N ATOM 50 CA ARG A 6 -4.882 -0.871 -17.968 1.00 0.00 C ATOM 51 C ARG A 6 -5.147 0.390 -17.151 1.00 0.00 C ATOM 52 O ARG A 6 -4.897 0.423 -15.947 1.00 0.00 O ATOM 53 CB ARG A 6 -5.216 -2.111 -17.136 1.00 0.00 C ATOM 54 CG ARG A 6 -5.653 -3.304 -17.971 1.00 0.00 C ATOM 55 CD ARG A 6 -7.159 -3.317 -18.178 1.00 0.00 C ATOM 56 NE ARG A 6 -7.845 -4.094 -17.148 1.00 0.00 N ATOM 57 CZ ARG A 6 -7.914 -5.424 -17.145 1.00 0.00 C ATOM 58 NH1 ARG A 6 -7.337 -6.127 -18.112 1.00 0.00 N ATOM 59 NH2 ARG A 6 -8.559 -6.052 -16.171 1.00 0.00 N ATOM 0 H ARG A 6 -2.868 -1.427 -17.785 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.520 -0.850 -18.851 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.342 -2.390 -16.548 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.008 -1.862 -16.430 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.152 -3.275 -18.939 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.344 -4.226 -17.479 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.535 -2.294 -18.171 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.387 -3.734 -19.159 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.298 -3.588 -16.387 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.838 -5.649 -18.862 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -7.393 -7.145 -18.105 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -9.002 -5.516 -15.425 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.612 -7.071 -16.168 1.00 0.00 H new ATOM 73 N LEU A 7 -5.656 1.423 -17.816 1.00 0.00 N ATOM 74 CA LEU A 7 -5.960 2.688 -17.155 1.00 0.00 C ATOM 75 C LEU A 7 -4.695 3.326 -16.586 1.00 0.00 C ATOM 76 O LEU A 7 -4.126 4.238 -17.185 1.00 0.00 O ATOM 77 CB LEU A 7 -6.989 2.475 -16.041 1.00 0.00 C ATOM 78 CG LEU A 7 -8.449 2.492 -16.496 1.00 0.00 C ATOM 79 CD1 LEU A 7 -8.826 1.160 -17.125 1.00 0.00 C ATOM 80 CD2 LEU A 7 -9.367 2.809 -15.325 1.00 0.00 C ATOM 0 H LEU A 7 -5.867 1.409 -18.814 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.380 3.364 -17.899 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.786 1.519 -15.558 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.850 3.249 -15.286 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.568 3.273 -17.248 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.868 1.190 -17.443 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.188 0.972 -17.989 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.692 0.362 -16.395 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.402 2.817 -15.666 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.246 2.050 -14.552 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.112 3.787 -14.917 1.00 0.00 H new ATOM 92 N ASP A 8 -4.261 2.841 -15.427 1.00 0.00 N ATOM 93 CA ASP A 8 -3.064 3.365 -14.779 1.00 0.00 C ATOM 94 C ASP A 8 -2.326 2.262 -14.027 1.00 0.00 C ATOM 95 O ASP A 8 -2.946 1.381 -13.432 1.00 0.00 O ATOM 96 CB ASP A 8 -3.433 4.498 -13.819 1.00 0.00 C ATOM 97 CG ASP A 8 -2.574 5.731 -14.021 1.00 0.00 C ATOM 98 OD1 ASP A 8 -2.131 5.965 -15.165 1.00 0.00 O ATOM 99 OD2 ASP A 8 -2.343 6.462 -13.034 1.00 0.00 O ATOM 0 H ASP A 8 -4.720 2.086 -14.917 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.403 3.756 -15.552 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.481 4.762 -13.959 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.327 4.149 -12.792 1.00 0.00 H new ATOM 104 N ALA A 9 -0.998 2.316 -14.057 1.00 0.00 N ATOM 105 CA ALA A 9 -0.177 1.322 -13.377 1.00 0.00 C ATOM 106 C ALA A 9 -0.456 1.313 -11.878 1.00 0.00 C ATOM 107 O ALA A 9 -0.517 2.367 -11.243 1.00 0.00 O ATOM 108 CB ALA A 9 1.297 1.586 -13.639 1.00 0.00 C ATOM 0 H ALA A 9 -0.468 3.038 -14.545 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.435 0.340 -13.775 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.898 0.836 -13.125 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.491 1.535 -14.710 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.560 2.577 -13.270 1.00 0.00 H new ATOM 114 N LEU A 10 -0.626 0.121 -11.318 1.00 0.00 N ATOM 115 CA LEU A 10 -0.899 -0.023 -9.893 1.00 0.00 C ATOM 116 C LEU A 10 -0.968 -1.496 -9.496 1.00 0.00 C ATOM 117 O LEU A 10 -1.349 -2.347 -10.300 1.00 0.00 O ATOM 118 CB LEU A 10 -2.212 0.680 -9.532 1.00 0.00 C ATOM 119 CG LEU A 10 -2.112 1.689 -8.387 1.00 0.00 C ATOM 120 CD1 LEU A 10 -1.923 3.097 -8.931 1.00 0.00 C ATOM 121 CD2 LEU A 10 -3.350 1.619 -7.503 1.00 0.00 C ATOM 0 H LEU A 10 -0.580 -0.760 -11.829 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.082 0.442 -9.342 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.587 1.194 -10.417 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.950 -0.076 -9.266 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.242 1.435 -7.781 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.854 3.801 -8.102 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.007 3.139 -9.520 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.772 3.361 -9.561 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.261 2.344 -6.694 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.235 1.846 -8.098 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.442 0.617 -7.084 1.00 0.00 H new ATOM 133 N PRO A 11 -0.599 -1.816 -8.244 1.00 0.00 N ATOM 134 CA PRO A 11 -0.620 -3.194 -7.742 1.00 0.00 C ATOM 135 C PRO A 11 -1.973 -3.866 -7.953 1.00 0.00 C ATOM 136 O PRO A 11 -2.994 -3.195 -8.107 1.00 0.00 O ATOM 137 CB PRO A 11 -0.332 -3.036 -6.248 1.00 0.00 C ATOM 138 CG PRO A 11 0.417 -1.753 -6.141 1.00 0.00 C ATOM 139 CD PRO A 11 -0.133 -0.863 -7.220 1.00 0.00 C ATOM 0 HA PRO A 11 0.099 -3.826 -8.263 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.254 -3.006 -5.668 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.256 -3.871 -5.868 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.282 -1.303 -5.157 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.487 -1.913 -6.274 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.947 -0.240 -6.851 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.629 -0.191 -7.614 1.00 0.00 H new ATOM 147 N ARG A 12 -1.974 -5.195 -7.962 1.00 0.00 N ATOM 148 CA ARG A 12 -3.202 -5.958 -8.154 1.00 0.00 C ATOM 149 C ARG A 12 -3.594 -6.687 -6.873 1.00 0.00 C ATOM 150 O ARG A 12 -2.773 -6.867 -5.973 1.00 0.00 O ATOM 151 CB ARG A 12 -3.029 -6.962 -9.297 1.00 0.00 C ATOM 152 CG ARG A 12 -3.513 -6.443 -10.641 1.00 0.00 C ATOM 153 CD ARG A 12 -5.019 -6.590 -10.785 1.00 0.00 C ATOM 154 NE ARG A 12 -5.741 -5.529 -10.088 1.00 0.00 N ATOM 155 CZ ARG A 12 -7.026 -5.604 -9.751 1.00 0.00 C ATOM 156 NH1 ARG A 12 -7.735 -6.687 -10.046 1.00 0.00 N ATOM 157 NH2 ARG A 12 -7.605 -4.594 -9.116 1.00 0.00 N ATOM 0 H ARG A 12 -1.138 -5.766 -7.839 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.999 -5.261 -8.411 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.975 -7.229 -9.378 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.572 -7.875 -9.053 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.237 -5.394 -10.748 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.015 -6.987 -11.443 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.285 -6.576 -11.842 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.328 -7.558 -10.391 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.230 -4.680 -9.845 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.295 -7.467 -10.534 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.720 -6.739 -9.785 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.065 -3.760 -8.886 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.590 -4.652 -8.858 1.00 0.00 H new ATOM 171 N VAL A 13 -4.853 -7.105 -6.797 1.00 0.00 N ATOM 172 CA VAL A 13 -5.353 -7.815 -5.626 1.00 0.00 C ATOM 173 C VAL A 13 -4.868 -9.261 -5.611 1.00 0.00 C ATOM 174 O VAL A 13 -4.785 -9.910 -6.654 1.00 0.00 O ATOM 175 CB VAL A 13 -6.894 -7.796 -5.572 1.00 0.00 C ATOM 176 CG1 VAL A 13 -7.483 -8.491 -6.790 1.00 0.00 C ATOM 177 CG2 VAL A 13 -7.394 -8.440 -4.288 1.00 0.00 C ATOM 0 H VAL A 13 -5.546 -6.964 -7.533 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.962 -7.297 -4.750 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.224 -6.757 -5.582 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.571 -8.466 -6.732 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.156 -7.979 -7.695 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.144 -9.527 -6.817 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.484 -8.416 -4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.053 -9.474 -4.243 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.005 -7.892 -3.430 1.00 0.00 H new ATOM 187 N THR A 14 -4.550 -9.760 -4.421 1.00 0.00 N ATOM 188 CA THR A 14 -4.073 -11.130 -4.266 1.00 0.00 C ATOM 189 C THR A 14 -2.755 -11.339 -5.004 1.00 0.00 C ATOM 190 O THR A 14 -2.353 -10.516 -5.826 1.00 0.00 O ATOM 191 CB THR A 14 -5.121 -12.119 -4.781 1.00 0.00 C ATOM 192 OG1 THR A 14 -6.415 -11.545 -4.741 1.00 0.00 O ATOM 193 CG2 THR A 14 -5.167 -13.409 -3.989 1.00 0.00 C ATOM 0 H THR A 14 -4.614 -9.235 -3.549 1.00 0.00 H new ATOM 0 HA THR A 14 -3.904 -11.308 -3.204 1.00 0.00 H new ATOM 0 HB THR A 14 -4.822 -12.349 -5.804 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.070 -12.192 -5.076 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.931 -14.065 -4.406 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.197 -13.903 -4.041 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.407 -13.189 -2.949 1.00 0.00 H new ATOM 201 N CYS A 15 -2.088 -12.448 -4.701 1.00 0.00 N ATOM 202 CA CYS A 15 -0.813 -12.775 -5.330 1.00 0.00 C ATOM 203 C CYS A 15 -1.015 -13.175 -6.792 1.00 0.00 C ATOM 204 O CYS A 15 -1.962 -13.890 -7.120 1.00 0.00 O ATOM 205 CB CYS A 15 -0.132 -13.911 -4.565 1.00 0.00 C ATOM 206 SG CYS A 15 1.436 -14.465 -5.280 1.00 0.00 S ATOM 0 H CYS A 15 -2.410 -13.137 -4.022 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.177 -11.890 -5.302 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.046 -13.586 -3.540 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.814 -14.760 -4.517 1.00 0.00 H new ATOM 211 N PRO A 16 -0.127 -12.718 -7.695 1.00 0.00 N ATOM 212 CA PRO A 16 -0.223 -13.035 -9.126 1.00 0.00 C ATOM 213 C PRO A 16 -0.121 -14.532 -9.401 1.00 0.00 C ATOM 214 O PRO A 16 -0.762 -15.051 -10.314 1.00 0.00 O ATOM 215 CB PRO A 16 0.971 -12.301 -9.747 1.00 0.00 C ATOM 216 CG PRO A 16 1.365 -11.272 -8.743 1.00 0.00 C ATOM 217 CD PRO A 16 1.031 -11.857 -7.402 1.00 0.00 C ATOM 0 HA PRO A 16 -1.186 -12.732 -9.537 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.793 -12.988 -9.950 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.699 -11.840 -10.697 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.428 -11.043 -8.815 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.826 -10.339 -8.908 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.864 -12.427 -6.992 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.785 -11.084 -6.674 1.00 0.00 H new ATOM 225 N ASN A 17 0.696 -15.218 -8.611 1.00 0.00 N ATOM 226 CA ASN A 17 0.892 -16.655 -8.775 1.00 0.00 C ATOM 227 C ASN A 17 0.175 -17.456 -7.686 1.00 0.00 C ATOM 228 O ASN A 17 0.138 -18.685 -7.737 1.00 0.00 O ATOM 229 CB ASN A 17 2.385 -16.989 -8.762 1.00 0.00 C ATOM 230 CG ASN A 17 3.186 -16.092 -9.687 1.00 0.00 C ATOM 231 OD1 ASN A 17 3.789 -15.112 -9.251 1.00 0.00 O ATOM 232 ND2 ASN A 17 3.195 -16.425 -10.972 1.00 0.00 N ATOM 0 H ASN A 17 1.234 -14.803 -7.850 1.00 0.00 H new ATOM 0 HA ASN A 17 0.461 -16.935 -9.736 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.767 -16.893 -7.746 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.525 -18.029 -9.058 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.716 -15.859 -11.642 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.681 -17.247 -11.290 1.00 0.00 H new ATOM 239 N HIS A 18 -0.395 -16.761 -6.705 1.00 0.00 N ATOM 240 CA HIS A 18 -1.106 -17.426 -5.617 1.00 0.00 C ATOM 241 C HIS A 18 -2.482 -16.803 -5.401 1.00 0.00 C ATOM 242 O HIS A 18 -2.667 -15.983 -4.503 1.00 0.00 O ATOM 243 CB HIS A 18 -0.295 -17.357 -4.321 1.00 0.00 C ATOM 244 CG HIS A 18 0.945 -18.191 -4.344 1.00 0.00 C ATOM 245 ND1 HIS A 18 2.183 -17.646 -4.087 1.00 0.00 N ATOM 246 CD2 HIS A 18 1.080 -19.516 -4.584 1.00 0.00 C ATOM 247 CE1 HIS A 18 3.036 -18.655 -4.174 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.414 -19.804 -4.475 1.00 0.00 N ATOM 0 H HIS A 18 -0.379 -15.743 -6.641 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.238 -18.471 -5.897 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.021 -16.320 -4.129 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.924 -17.680 -3.491 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.288 -20.212 -4.817 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.101 -18.564 -4.021 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.851 -20.717 -4.599 1.00 0.00 H new ATOM 256 N PRO A 19 -3.471 -17.189 -6.225 1.00 0.00 N ATOM 257 CA PRO A 19 -4.836 -16.666 -6.118 1.00 0.00 C ATOM 258 C PRO A 19 -5.493 -17.047 -4.796 1.00 0.00 C ATOM 259 O PRO A 19 -6.104 -16.212 -4.130 1.00 0.00 O ATOM 260 CB PRO A 19 -5.578 -17.324 -7.290 1.00 0.00 C ATOM 261 CG PRO A 19 -4.513 -17.841 -8.197 1.00 0.00 C ATOM 262 CD PRO A 19 -3.338 -18.161 -7.320 1.00 0.00 C ATOM 0 HA PRO A 19 -4.854 -15.577 -6.150 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.223 -18.131 -6.942 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.216 -16.605 -7.804 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.853 -18.728 -8.732 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.247 -17.098 -8.949 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.374 -19.188 -6.955 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.394 -18.044 -7.851 1.00 0.00 H new ATOM 270 N ASP A 20 -5.363 -18.317 -4.426 1.00 0.00 N ATOM 271 CA ASP A 20 -5.944 -18.817 -3.185 1.00 0.00 C ATOM 272 C ASP A 20 -5.391 -18.064 -1.978 1.00 0.00 C ATOM 273 O ASP A 20 -6.149 -17.539 -1.162 1.00 0.00 O ATOM 274 CB ASP A 20 -5.668 -20.314 -3.035 1.00 0.00 C ATOM 275 CG ASP A 20 -6.413 -21.145 -4.060 1.00 0.00 C ATOM 276 OD1 ASP A 20 -6.100 -21.026 -5.262 1.00 0.00 O ATOM 277 OD2 ASP A 20 -7.311 -21.917 -3.659 1.00 0.00 O ATOM 0 H ASP A 20 -4.860 -19.019 -4.968 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.021 -18.654 -3.229 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.598 -20.495 -3.133 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.955 -20.635 -2.034 1.00 0.00 H new ATOM 282 N ALA A 21 -4.067 -18.016 -1.870 1.00 0.00 N ATOM 283 CA ALA A 21 -3.415 -17.328 -0.762 1.00 0.00 C ATOM 284 C ALA A 21 -3.209 -15.851 -1.078 1.00 0.00 C ATOM 285 O ALA A 21 -2.587 -15.501 -2.080 1.00 0.00 O ATOM 286 CB ALA A 21 -2.084 -17.991 -0.440 1.00 0.00 C ATOM 0 H ALA A 21 -3.425 -18.445 -2.536 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.065 -17.399 0.110 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.608 -17.467 0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.253 -19.031 -0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.436 -17.950 -1.315 1.00 0.00 H new ATOM 292 N ILE A 22 -3.738 -14.987 -0.217 1.00 0.00 N ATOM 293 CA ILE A 22 -3.612 -13.548 -0.407 1.00 0.00 C ATOM 294 C ILE A 22 -2.429 -12.989 0.378 1.00 0.00 C ATOM 295 O ILE A 22 -2.184 -13.382 1.518 1.00 0.00 O ATOM 296 CB ILE A 22 -4.899 -12.812 0.018 1.00 0.00 C ATOM 297 CG1 ILE A 22 -4.787 -11.317 -0.288 1.00 0.00 C ATOM 298 CG2 ILE A 22 -5.177 -13.036 1.498 1.00 0.00 C ATOM 299 CD1 ILE A 22 -6.124 -10.612 -0.360 1.00 0.00 C ATOM 0 H ILE A 22 -4.257 -15.259 0.618 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.444 -13.381 -1.471 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.734 -13.218 -0.554 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.176 -10.842 0.480 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.265 -11.187 -1.236 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.089 -12.510 1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.300 -14.102 1.688 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.342 -12.657 2.087 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.967 -9.556 -0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.730 -11.061 -1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.639 -10.711 0.595 1.00 0.00 H new ATOM 311 N LEU A 23 -1.699 -12.066 -0.243 1.00 0.00 N ATOM 312 CA LEU A 23 -0.541 -11.446 0.392 1.00 0.00 C ATOM 313 C LEU A 23 -0.937 -10.763 1.697 1.00 0.00 C ATOM 314 O LEU A 23 -1.719 -9.811 1.697 1.00 0.00 O ATOM 315 CB LEU A 23 0.094 -10.426 -0.554 1.00 0.00 C ATOM 316 CG LEU A 23 1.191 -10.985 -1.459 1.00 0.00 C ATOM 317 CD1 LEU A 23 0.642 -11.277 -2.847 1.00 0.00 C ATOM 318 CD2 LEU A 23 2.364 -10.020 -1.539 1.00 0.00 C ATOM 0 H LEU A 23 -1.890 -11.731 -1.187 1.00 0.00 H new ATOM 0 HA LEU A 23 0.183 -12.229 0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.688 -9.995 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.512 -9.613 0.039 1.00 0.00 H new ATOM 0 HG LEU A 23 1.547 -11.920 -1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.438 -11.674 -3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.162 -12.009 -2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.256 -10.357 -3.287 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.134 -10.437 -2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.024 -9.067 -1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.775 -9.864 -0.542 1.00 0.00 H new ATOM 330 N VAL A 24 -0.390 -11.246 2.807 1.00 0.00 N ATOM 331 CA VAL A 24 -0.683 -10.672 4.115 1.00 0.00 C ATOM 332 C VAL A 24 -0.325 -9.189 4.146 1.00 0.00 C ATOM 333 O VAL A 24 0.447 -8.714 3.315 1.00 0.00 O ATOM 334 CB VAL A 24 0.084 -11.398 5.236 1.00 0.00 C ATOM 335 CG1 VAL A 24 -0.419 -10.957 6.602 1.00 0.00 C ATOM 336 CG2 VAL A 24 -0.038 -12.906 5.078 1.00 0.00 C ATOM 0 H VAL A 24 0.258 -12.033 2.827 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.753 -10.794 4.286 1.00 0.00 H new ATOM 0 HB VAL A 24 1.138 -11.131 5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.135 -11.481 7.380 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.274 -9.883 6.714 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.480 -11.191 6.692 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.510 -13.401 5.879 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.088 -13.193 5.126 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.376 -13.206 4.115 1.00 0.00 H new ATOM 346 N GLU A 25 -0.893 -8.462 5.103 1.00 0.00 N ATOM 347 CA GLU A 25 -0.632 -7.033 5.230 1.00 0.00 C ATOM 348 C GLU A 25 0.271 -6.741 6.424 1.00 0.00 C ATOM 349 O GLU A 25 -0.163 -6.810 7.575 1.00 0.00 O ATOM 350 CB GLU A 25 -1.947 -6.264 5.371 1.00 0.00 C ATOM 351 CG GLU A 25 -2.543 -5.828 4.042 1.00 0.00 C ATOM 352 CD GLU A 25 -2.393 -4.340 3.796 1.00 0.00 C ATOM 353 OE1 GLU A 25 -1.342 -3.778 4.170 1.00 0.00 O ATOM 354 OE2 GLU A 25 -3.328 -3.734 3.229 1.00 0.00 O ATOM 0 H GLU A 25 -1.535 -8.838 5.800 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.120 -6.705 4.326 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.669 -6.889 5.896 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.778 -5.383 5.990 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.059 -6.377 3.234 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.600 -6.092 4.018 1.00 0.00 H new ATOM 361 N ASP A 26 1.529 -6.409 6.144 1.00 0.00 N ATOM 362 CA ASP A 26 2.492 -6.101 7.196 1.00 0.00 C ATOM 363 C ASP A 26 2.795 -7.333 8.042 1.00 0.00 C ATOM 364 O ASP A 26 1.911 -8.146 8.314 1.00 0.00 O ATOM 365 CB ASP A 26 1.965 -4.971 8.086 1.00 0.00 C ATOM 366 CG ASP A 26 2.969 -3.845 8.246 1.00 0.00 C ATOM 367 OD1 ASP A 26 4.177 -4.094 8.049 1.00 0.00 O ATOM 368 OD2 ASP A 26 2.546 -2.715 8.568 1.00 0.00 O ATOM 0 H ASP A 26 1.904 -6.347 5.198 1.00 0.00 H new ATOM 0 HA ASP A 26 3.417 -5.778 6.719 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.044 -4.575 7.658 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.714 -5.372 9.068 1.00 0.00 H new ATOM 373 N TYR A 27 4.051 -7.461 8.454 1.00 0.00 N ATOM 374 CA TYR A 27 4.482 -8.590 9.270 1.00 0.00 C ATOM 375 C TYR A 27 5.949 -8.441 9.655 1.00 0.00 C ATOM 376 O TYR A 27 6.841 -8.685 8.842 1.00 0.00 O ATOM 377 CB TYR A 27 4.268 -9.905 8.519 1.00 0.00 C ATOM 378 CG TYR A 27 4.396 -11.131 9.393 1.00 0.00 C ATOM 379 CD1 TYR A 27 5.625 -11.753 9.574 1.00 0.00 C ATOM 380 CD2 TYR A 27 3.288 -11.666 10.038 1.00 0.00 C ATOM 381 CE1 TYR A 27 5.746 -12.875 10.371 1.00 0.00 C ATOM 382 CE2 TYR A 27 3.402 -12.787 10.839 1.00 0.00 C ATOM 383 CZ TYR A 27 4.632 -13.388 11.001 1.00 0.00 C ATOM 384 OH TYR A 27 4.748 -14.504 11.798 1.00 0.00 O ATOM 0 H TYR A 27 4.791 -6.794 8.235 1.00 0.00 H new ATOM 0 HA TYR A 27 3.881 -8.604 10.179 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.278 -9.896 8.063 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.992 -9.971 7.707 1.00 0.00 H new ATOM 0 HD1 TYR A 27 6.500 -11.353 9.084 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.322 -11.199 9.912 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.708 -13.348 10.500 1.00 0.00 H new ATOM 0 HE2 TYR A 27 2.532 -13.190 11.335 1.00 0.00 H new ATOM 0 HH TYR A 27 3.870 -14.735 12.168 1.00 0.00 H new ATOM 394 N ARG A 28 6.194 -8.031 10.895 1.00 0.00 N ATOM 395 CA ARG A 28 7.558 -7.842 11.382 1.00 0.00 C ATOM 396 C ARG A 28 8.254 -6.717 10.628 1.00 0.00 C ATOM 397 O ARG A 28 9.481 -6.642 10.585 1.00 0.00 O ATOM 398 CB ARG A 28 8.354 -9.129 11.227 1.00 0.00 C ATOM 399 CG ARG A 28 9.410 -9.330 12.303 1.00 0.00 C ATOM 400 CD ARG A 28 10.624 -10.065 11.761 1.00 0.00 C ATOM 401 NE ARG A 28 11.168 -11.013 12.731 1.00 0.00 N ATOM 402 CZ ARG A 28 12.394 -11.526 12.659 1.00 0.00 C ATOM 403 NH1 ARG A 28 13.206 -11.188 11.665 1.00 0.00 N ATOM 404 NH2 ARG A 28 12.809 -12.381 13.584 1.00 0.00 N ATOM 0 H ARG A 28 5.468 -7.823 11.581 1.00 0.00 H new ATOM 0 HA ARG A 28 7.505 -7.574 12.437 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.667 -9.975 11.243 1.00 0.00 H new ATOM 0 HB3 ARG A 28 8.838 -9.130 10.251 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.716 -8.362 12.699 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.983 -9.893 13.133 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.349 -10.596 10.850 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.394 -9.343 11.489 1.00 0.00 H new ATOM 0 HE ARG A 28 10.573 -11.298 13.509 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.892 -10.531 10.950 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.144 -11.585 11.616 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.189 -12.645 14.350 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.748 -12.775 13.530 1.00 0.00 H new ATOM 418 N ALA A 29 7.450 -5.853 10.036 1.00 0.00 N ATOM 419 CA ALA A 29 7.954 -4.717 9.269 1.00 0.00 C ATOM 420 C ALA A 29 8.475 -5.165 7.908 1.00 0.00 C ATOM 421 O ALA A 29 9.601 -4.842 7.524 1.00 0.00 O ATOM 422 CB ALA A 29 9.043 -3.985 10.043 1.00 0.00 C ATOM 0 H ALA A 29 6.432 -5.914 10.070 1.00 0.00 H new ATOM 0 HA ALA A 29 7.125 -4.028 9.105 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.405 -3.142 9.454 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.636 -3.620 10.986 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.868 -4.668 10.244 1.00 0.00 H new ATOM 428 N GLY A 30 7.650 -5.911 7.180 1.00 0.00 N ATOM 429 CA GLY A 30 8.045 -6.392 5.870 1.00 0.00 C ATOM 430 C GLY A 30 7.007 -6.107 4.800 1.00 0.00 C ATOM 431 O GLY A 30 7.002 -6.748 3.749 1.00 0.00 O ATOM 0 H GLY A 30 6.714 -6.191 7.475 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.989 -5.927 5.587 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.222 -7.466 5.921 1.00 0.00 H new ATOM 435 N ASP A 31 6.128 -5.142 5.061 1.00 0.00 N ATOM 436 CA ASP A 31 5.089 -4.779 4.103 1.00 0.00 C ATOM 437 C ASP A 31 4.209 -5.987 3.773 1.00 0.00 C ATOM 438 O ASP A 31 4.094 -6.916 4.573 1.00 0.00 O ATOM 439 CB ASP A 31 5.727 -4.217 2.830 1.00 0.00 C ATOM 440 CG ASP A 31 5.040 -2.953 2.349 1.00 0.00 C ATOM 441 OD1 ASP A 31 3.857 -3.033 1.958 1.00 0.00 O ATOM 442 OD2 ASP A 31 5.686 -1.884 2.364 1.00 0.00 O ATOM 0 H ASP A 31 6.115 -4.600 5.925 1.00 0.00 H new ATOM 0 HA ASP A 31 4.456 -4.012 4.549 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.780 -4.006 3.017 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.687 -4.971 2.044 1.00 0.00 H new ATOM 447 N MET A 32 3.589 -5.971 2.596 1.00 0.00 N ATOM 448 CA MET A 32 2.727 -7.072 2.178 1.00 0.00 C ATOM 449 C MET A 32 3.561 -8.292 1.799 1.00 0.00 C ATOM 450 O MET A 32 4.341 -8.251 0.849 1.00 0.00 O ATOM 451 CB MET A 32 1.856 -6.645 0.994 1.00 0.00 C ATOM 452 CG MET A 32 0.480 -6.142 1.400 1.00 0.00 C ATOM 453 SD MET A 32 -0.857 -6.987 0.534 1.00 0.00 S ATOM 454 CE MET A 32 -1.910 -5.604 0.102 1.00 0.00 C ATOM 0 H MET A 32 3.667 -5.212 1.919 1.00 0.00 H new ATOM 0 HA MET A 32 2.081 -7.338 3.015 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.371 -5.861 0.439 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.739 -7.491 0.316 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.352 -6.275 2.474 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.416 -5.072 1.201 1.00 0.00 H new ATOM 0 HE1 MET A 32 -2.783 -5.967 -0.440 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.233 -5.095 1.010 1.00 0.00 H new ATOM 0 HE3 MET A 32 -1.356 -4.907 -0.527 1.00 0.00 H new ATOM 464 N ILE A 33 3.399 -9.379 2.547 1.00 0.00 N ATOM 465 CA ILE A 33 4.148 -10.603 2.280 1.00 0.00 C ATOM 466 C ILE A 33 3.215 -11.772 1.976 1.00 0.00 C ATOM 467 O ILE A 33 2.191 -11.944 2.635 1.00 0.00 O ATOM 468 CB ILE A 33 5.055 -10.977 3.471 1.00 0.00 C ATOM 469 CG1 ILE A 33 5.905 -12.206 3.135 1.00 0.00 C ATOM 470 CG2 ILE A 33 4.218 -11.228 4.718 1.00 0.00 C ATOM 471 CD1 ILE A 33 7.371 -11.889 2.931 1.00 0.00 C ATOM 0 H ILE A 33 2.759 -9.438 3.339 1.00 0.00 H new ATOM 0 HA ILE A 33 4.769 -10.407 1.406 1.00 0.00 H new ATOM 0 HB ILE A 33 5.726 -10.142 3.670 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.808 -12.936 3.939 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.513 -12.673 2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.873 -11.491 5.549 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.658 -10.327 4.968 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.523 -12.047 4.531 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.912 -12.806 2.696 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.479 -11.183 2.108 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.778 -11.450 3.842 1.00 0.00 H new ATOM 483 N CYS A 34 3.576 -12.576 0.980 1.00 0.00 N ATOM 484 CA CYS A 34 2.766 -13.727 0.601 1.00 0.00 C ATOM 485 C CYS A 34 3.125 -14.945 1.447 1.00 0.00 C ATOM 486 O CYS A 34 4.302 -15.242 1.648 1.00 0.00 O ATOM 487 CB CYS A 34 2.976 -14.046 -0.876 1.00 0.00 C ATOM 488 SG CYS A 34 1.804 -15.238 -1.568 1.00 0.00 S ATOM 0 H CYS A 34 4.421 -12.452 0.423 1.00 0.00 H new ATOM 0 HA CYS A 34 1.718 -13.481 0.774 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.910 -13.120 -1.446 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.987 -14.432 -1.010 1.00 0.00 H new ATOM 493 N PRO A 35 2.118 -15.674 1.954 1.00 0.00 N ATOM 494 CA PRO A 35 2.350 -16.864 2.774 1.00 0.00 C ATOM 495 C PRO A 35 2.775 -18.074 1.943 1.00 0.00 C ATOM 496 O PRO A 35 3.032 -19.149 2.486 1.00 0.00 O ATOM 497 CB PRO A 35 0.990 -17.109 3.423 1.00 0.00 C ATOM 498 CG PRO A 35 0.005 -16.569 2.443 1.00 0.00 C ATOM 499 CD PRO A 35 0.678 -15.402 1.769 1.00 0.00 C ATOM 0 HA PRO A 35 3.161 -16.718 3.488 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.824 -18.170 3.608 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.912 -16.602 4.385 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.276 -17.330 1.715 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.910 -16.254 2.944 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.414 -15.343 0.713 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.388 -14.455 2.224 1.00 0.00 H new ATOM 507 N GLU A 36 2.846 -17.896 0.624 1.00 0.00 N ATOM 508 CA GLU A 36 3.238 -18.977 -0.272 1.00 0.00 C ATOM 509 C GLU A 36 4.616 -18.716 -0.879 1.00 0.00 C ATOM 510 O GLU A 36 5.610 -19.299 -0.445 1.00 0.00 O ATOM 511 CB GLU A 36 2.197 -19.152 -1.376 1.00 0.00 C ATOM 512 CG GLU A 36 0.845 -19.626 -0.868 1.00 0.00 C ATOM 513 CD GLU A 36 0.738 -21.138 -0.819 1.00 0.00 C ATOM 514 OE1 GLU A 36 1.210 -21.734 0.171 1.00 0.00 O ATOM 515 OE2 GLU A 36 0.182 -21.725 -1.771 1.00 0.00 O ATOM 0 H GLU A 36 2.637 -17.014 0.156 1.00 0.00 H new ATOM 0 HA GLU A 36 3.294 -19.897 0.310 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.068 -18.203 -1.896 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.572 -19.868 -2.108 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.673 -19.221 0.129 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.060 -19.231 -1.512 1.00 0.00 H new ATOM 522 N CYS A 37 4.678 -17.839 -1.882 1.00 0.00 N ATOM 523 CA CYS A 37 5.951 -17.520 -2.526 1.00 0.00 C ATOM 524 C CYS A 37 6.858 -16.727 -1.590 1.00 0.00 C ATOM 525 O CYS A 37 8.047 -16.564 -1.861 1.00 0.00 O ATOM 526 CB CYS A 37 5.743 -16.729 -3.825 1.00 0.00 C ATOM 527 SG CYS A 37 4.793 -15.206 -3.643 1.00 0.00 S ATOM 0 H CYS A 37 3.872 -17.343 -2.262 1.00 0.00 H new ATOM 0 HA CYS A 37 6.429 -18.469 -2.767 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.719 -16.483 -4.244 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.238 -17.371 -4.547 1.00 0.00 H new ATOM 532 N GLY A 38 6.294 -16.227 -0.493 1.00 0.00 N ATOM 533 CA GLY A 38 7.078 -15.452 0.447 1.00 0.00 C ATOM 534 C GLY A 38 7.686 -14.225 -0.199 1.00 0.00 C ATOM 535 O GLY A 38 8.898 -14.022 -0.143 1.00 0.00 O ATOM 0 H GLY A 38 5.313 -16.345 -0.241 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.446 -15.147 1.282 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.871 -16.076 0.859 1.00 0.00 H new ATOM 539 N LEU A 39 6.841 -13.408 -0.821 1.00 0.00 N ATOM 540 CA LEU A 39 7.308 -12.197 -1.486 1.00 0.00 C ATOM 541 C LEU A 39 7.083 -10.978 -0.601 1.00 0.00 C ATOM 542 O LEU A 39 6.449 -11.074 0.447 1.00 0.00 O ATOM 543 CB LEU A 39 6.606 -12.025 -2.839 1.00 0.00 C ATOM 544 CG LEU A 39 5.280 -11.259 -2.805 1.00 0.00 C ATOM 545 CD1 LEU A 39 5.487 -9.817 -3.242 1.00 0.00 C ATOM 546 CD2 LEU A 39 4.246 -11.942 -3.688 1.00 0.00 C ATOM 0 H LEU A 39 5.834 -13.562 -0.878 1.00 0.00 H new ATOM 0 HA LEU A 39 8.379 -12.292 -1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.285 -11.509 -3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.423 -13.013 -3.261 1.00 0.00 H new ATOM 0 HG LEU A 39 4.909 -11.258 -1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.535 -9.287 -3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.194 -9.331 -2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.881 -9.798 -4.258 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.311 -11.384 -3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.609 -11.974 -4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.077 -12.958 -3.331 1.00 0.00 H new ATOM 558 N VAL A 40 7.612 -9.836 -1.028 1.00 0.00 N ATOM 559 CA VAL A 40 7.471 -8.600 -0.268 1.00 0.00 C ATOM 560 C VAL A 40 7.090 -7.433 -1.173 1.00 0.00 C ATOM 561 O VAL A 40 7.876 -7.006 -2.019 1.00 0.00 O ATOM 562 CB VAL A 40 8.771 -8.246 0.480 1.00 0.00 C ATOM 563 CG1 VAL A 40 8.557 -7.043 1.386 1.00 0.00 C ATOM 564 CG2 VAL A 40 9.275 -9.440 1.277 1.00 0.00 C ATOM 0 H VAL A 40 8.141 -9.741 -1.895 1.00 0.00 H new ATOM 0 HA VAL A 40 6.675 -8.769 0.457 1.00 0.00 H new ATOM 0 HB VAL A 40 9.530 -7.986 -0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.486 -6.809 1.905 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.250 -6.186 0.786 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.781 -7.271 2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.194 -9.169 1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.520 -9.737 2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.473 -10.271 0.601 1.00 0.00 H new ATOM 574 N VAL A 41 5.883 -6.917 -0.980 1.00 0.00 N ATOM 575 CA VAL A 41 5.394 -5.793 -1.767 1.00 0.00 C ATOM 576 C VAL A 41 5.472 -4.497 -0.967 1.00 0.00 C ATOM 577 O VAL A 41 4.728 -4.304 -0.005 1.00 0.00 O ATOM 578 CB VAL A 41 3.938 -6.014 -2.221 1.00 0.00 C ATOM 579 CG1 VAL A 41 3.507 -4.921 -3.187 1.00 0.00 C ATOM 580 CG2 VAL A 41 3.778 -7.387 -2.854 1.00 0.00 C ATOM 0 H VAL A 41 5.223 -7.261 -0.283 1.00 0.00 H new ATOM 0 HA VAL A 41 6.032 -5.718 -2.648 1.00 0.00 H new ATOM 0 HB VAL A 41 3.293 -5.966 -1.344 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.476 -5.094 -3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.580 -3.951 -2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.156 -4.933 -4.063 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.743 -7.524 -3.168 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.434 -7.467 -3.721 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.042 -8.156 -2.127 1.00 0.00 H new ATOM 590 N GLY A 42 6.378 -3.612 -1.370 1.00 0.00 N ATOM 591 CA GLY A 42 6.538 -2.346 -0.680 1.00 0.00 C ATOM 592 C GLY A 42 5.443 -1.356 -1.023 1.00 0.00 C ATOM 593 O GLY A 42 4.721 -1.534 -2.005 1.00 0.00 O ATOM 0 H GLY A 42 7.005 -3.750 -2.163 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.542 -2.520 0.396 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.506 -1.916 -0.937 1.00 0.00 H new ATOM 597 N ASP A 43 5.319 -0.310 -0.215 1.00 0.00 N ATOM 598 CA ASP A 43 4.305 0.713 -0.439 1.00 0.00 C ATOM 599 C ASP A 43 4.616 1.522 -1.694 1.00 0.00 C ATOM 600 O ASP A 43 3.710 1.945 -2.412 1.00 0.00 O ATOM 601 CB ASP A 43 4.211 1.642 0.772 1.00 0.00 C ATOM 602 CG ASP A 43 5.567 2.170 1.202 1.00 0.00 C ATOM 603 OD1 ASP A 43 6.406 1.358 1.644 1.00 0.00 O ATOM 604 OD2 ASP A 43 5.788 3.394 1.096 1.00 0.00 O ATOM 0 H ASP A 43 5.908 -0.148 0.602 1.00 0.00 H new ATOM 0 HA ASP A 43 3.346 0.214 -0.579 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.557 2.480 0.534 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.752 1.106 1.603 1.00 0.00 H new ATOM 609 N ARG A 44 5.902 1.732 -1.952 1.00 0.00 N ATOM 610 CA ARG A 44 6.334 2.490 -3.120 1.00 0.00 C ATOM 611 C ARG A 44 6.904 1.562 -4.189 1.00 0.00 C ATOM 612 O ARG A 44 6.868 0.341 -4.047 1.00 0.00 O ATOM 613 CB ARG A 44 7.382 3.532 -2.721 1.00 0.00 C ATOM 614 CG ARG A 44 6.901 4.499 -1.652 1.00 0.00 C ATOM 615 CD ARG A 44 7.639 5.826 -1.727 1.00 0.00 C ATOM 616 NE ARG A 44 8.002 6.325 -0.403 1.00 0.00 N ATOM 617 CZ ARG A 44 8.935 7.250 -0.189 1.00 0.00 C ATOM 618 NH1 ARG A 44 9.601 7.779 -1.209 1.00 0.00 N ATOM 619 NH2 ARG A 44 9.203 7.647 1.047 1.00 0.00 N ATOM 0 H ARG A 44 6.664 1.388 -1.368 1.00 0.00 H new ATOM 0 HA ARG A 44 5.464 3.001 -3.533 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.274 3.019 -2.361 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.675 4.098 -3.605 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.831 4.670 -1.769 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.047 4.056 -0.667 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.540 5.707 -2.329 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.013 6.561 -2.233 1.00 0.00 H new ATOM 0 HE ARG A 44 7.512 5.942 0.405 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.399 7.477 -2.162 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.315 8.487 -1.039 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.694 7.244 1.834 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.918 8.356 1.211 1.00 0.00 H new ATOM 633 N VAL A 45 7.428 2.151 -5.259 1.00 0.00 N ATOM 634 CA VAL A 45 8.004 1.375 -6.351 1.00 0.00 C ATOM 635 C VAL A 45 9.269 2.036 -6.890 1.00 0.00 C ATOM 636 O VAL A 45 9.587 1.919 -8.073 1.00 0.00 O ATOM 637 CB VAL A 45 7.001 1.194 -7.505 1.00 0.00 C ATOM 638 CG1 VAL A 45 7.521 0.178 -8.511 1.00 0.00 C ATOM 639 CG2 VAL A 45 5.639 0.775 -6.971 1.00 0.00 C ATOM 0 H VAL A 45 7.466 3.161 -5.393 1.00 0.00 H new ATOM 0 HA VAL A 45 8.255 0.396 -5.942 1.00 0.00 H new ATOM 0 HB VAL A 45 6.887 2.151 -8.014 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.799 0.064 -9.319 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.471 0.524 -8.919 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.667 -0.782 -8.016 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.944 0.652 -7.802 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.733 -0.169 -6.434 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.262 1.541 -6.293 1.00 0.00 H new ATOM 649 N ILE A 46 9.989 2.725 -6.011 1.00 0.00 N ATOM 650 CA ILE A 46 11.222 3.399 -6.392 1.00 0.00 C ATOM 651 C ILE A 46 10.972 4.418 -7.505 1.00 0.00 C ATOM 652 O ILE A 46 9.963 4.349 -8.207 1.00 0.00 O ATOM 653 CB ILE A 46 12.281 2.381 -6.856 1.00 0.00 C ATOM 654 CG1 ILE A 46 12.573 1.376 -5.740 1.00 0.00 C ATOM 655 CG2 ILE A 46 13.561 3.084 -7.288 1.00 0.00 C ATOM 656 CD1 ILE A 46 13.053 2.021 -4.457 1.00 0.00 C ATOM 0 H ILE A 46 9.738 2.831 -5.028 1.00 0.00 H new ATOM 0 HA ILE A 46 11.593 3.924 -5.512 1.00 0.00 H new ATOM 0 HB ILE A 46 11.884 1.844 -7.718 1.00 0.00 H new ATOM 0 HG12 ILE A 46 11.670 0.802 -5.533 1.00 0.00 H new ATOM 0 HG13 ILE A 46 13.327 0.669 -6.086 1.00 0.00 H new ATOM 0 HG21 ILE A 46 14.292 2.343 -7.611 1.00 0.00 H new ATOM 0 HG22 ILE A 46 13.343 3.762 -8.113 1.00 0.00 H new ATOM 0 HG23 ILE A 46 13.965 3.651 -6.450 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.241 1.250 -3.710 1.00 0.00 H new ATOM 0 HD12 ILE A 46 13.974 2.572 -4.649 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.291 2.707 -4.087 1.00 0.00 H new ATOM 668 N ASP A 47 11.898 5.361 -7.657 1.00 0.00 N ATOM 669 CA ASP A 47 11.783 6.397 -8.682 1.00 0.00 C ATOM 670 C ASP A 47 10.698 7.405 -8.320 1.00 0.00 C ATOM 671 O ASP A 47 9.827 7.127 -7.496 1.00 0.00 O ATOM 672 CB ASP A 47 11.482 5.773 -10.048 1.00 0.00 C ATOM 673 CG ASP A 47 12.350 4.564 -10.338 1.00 0.00 C ATOM 674 OD1 ASP A 47 13.525 4.752 -10.713 1.00 0.00 O ATOM 675 OD2 ASP A 47 11.852 3.428 -10.188 1.00 0.00 O ATOM 0 H ASP A 47 12.738 5.430 -7.083 1.00 0.00 H new ATOM 0 HA ASP A 47 12.738 6.920 -8.736 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.433 5.481 -10.087 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.634 6.520 -10.827 1.00 0.00 H new ATOM 680 N VAL A 48 10.758 8.577 -8.943 1.00 0.00 N ATOM 681 CA VAL A 48 9.788 9.629 -8.693 1.00 0.00 C ATOM 682 C VAL A 48 8.383 9.194 -9.096 1.00 0.00 C ATOM 683 O VAL A 48 8.179 8.076 -9.568 1.00 0.00 O ATOM 684 CB VAL A 48 10.155 10.911 -9.460 1.00 0.00 C ATOM 685 CG1 VAL A 48 11.318 11.623 -8.785 1.00 0.00 C ATOM 686 CG2 VAL A 48 10.484 10.593 -10.911 1.00 0.00 C ATOM 0 H VAL A 48 11.474 8.820 -9.628 1.00 0.00 H new ATOM 0 HA VAL A 48 9.805 9.831 -7.622 1.00 0.00 H new ATOM 0 HB VAL A 48 9.293 11.578 -9.447 1.00 0.00 H new ATOM 0 HG11 VAL A 48 11.563 12.527 -9.342 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.039 11.889 -7.765 1.00 0.00 H new ATOM 0 HG13 VAL A 48 12.186 10.963 -8.764 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.741 11.513 -11.436 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.329 9.905 -10.950 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.619 10.133 -11.388 1.00 0.00 H new ATOM 696 N GLY A 49 7.416 10.086 -8.905 1.00 0.00 N ATOM 697 CA GLY A 49 6.042 9.778 -9.253 1.00 0.00 C ATOM 698 C GLY A 49 5.188 11.023 -9.395 1.00 0.00 C ATOM 699 O GLY A 49 5.709 12.128 -9.541 1.00 0.00 O ATOM 0 H GLY A 49 7.560 11.017 -8.515 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.024 9.220 -10.189 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.612 9.132 -8.488 1.00 0.00 H new ATOM 703 N SER A 50 3.871 10.844 -9.349 1.00 0.00 N ATOM 704 CA SER A 50 2.943 11.961 -9.474 1.00 0.00 C ATOM 705 C SER A 50 3.121 12.671 -10.812 1.00 0.00 C ATOM 706 O SER A 50 4.124 12.479 -11.499 1.00 0.00 O ATOM 707 CB SER A 50 3.147 12.952 -8.326 1.00 0.00 C ATOM 708 OG SER A 50 3.762 12.324 -7.213 1.00 0.00 O ATOM 0 H SER A 50 3.423 9.936 -9.226 1.00 0.00 H new ATOM 0 HA SER A 50 1.929 11.564 -9.427 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.764 13.784 -8.665 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.186 13.370 -8.027 1.00 0.00 H new ATOM 0 HG SER A 50 3.883 12.979 -6.494 1.00 0.00 H new ATOM 714 N GLU A 51 2.143 13.494 -11.175 1.00 0.00 N ATOM 715 CA GLU A 51 2.191 14.233 -12.431 1.00 0.00 C ATOM 716 C GLU A 51 2.481 15.710 -12.182 1.00 0.00 C ATOM 717 O GLU A 51 1.722 16.395 -11.497 1.00 0.00 O ATOM 718 CB GLU A 51 0.871 14.079 -13.189 1.00 0.00 C ATOM 719 CG GLU A 51 0.905 12.997 -14.256 1.00 0.00 C ATOM 720 CD GLU A 51 -0.399 12.893 -15.023 1.00 0.00 C ATOM 721 OE1 GLU A 51 -0.601 13.692 -15.961 1.00 0.00 O ATOM 722 OE2 GLU A 51 -1.218 12.013 -14.685 1.00 0.00 O ATOM 0 H GLU A 51 1.307 13.666 -10.617 1.00 0.00 H new ATOM 0 HA GLU A 51 2.998 13.820 -13.036 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.077 13.851 -12.477 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.617 15.030 -13.656 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.717 13.205 -14.953 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.125 12.037 -13.788 1.00 0.00 H new ATOM 729 N TRP A 52 3.583 16.194 -12.745 1.00 0.00 N ATOM 730 CA TRP A 52 3.973 17.589 -12.584 1.00 0.00 C ATOM 731 C TRP A 52 3.067 18.505 -13.400 1.00 0.00 C ATOM 732 O TRP A 52 2.594 18.132 -14.473 1.00 0.00 O ATOM 733 CB TRP A 52 5.430 17.786 -13.009 1.00 0.00 C ATOM 734 CG TRP A 52 6.401 17.660 -11.875 1.00 0.00 C ATOM 735 CD1 TRP A 52 7.490 16.838 -11.816 1.00 0.00 C ATOM 736 CD2 TRP A 52 6.372 18.378 -10.636 1.00 0.00 C ATOM 737 NE1 TRP A 52 8.139 17.002 -10.617 1.00 0.00 N ATOM 738 CE2 TRP A 52 7.473 17.942 -9.875 1.00 0.00 C ATOM 739 CE3 TRP A 52 5.522 19.349 -10.096 1.00 0.00 C ATOM 740 CZ2 TRP A 52 7.745 18.442 -8.604 1.00 0.00 C ATOM 741 CZ3 TRP A 52 5.795 19.844 -8.835 1.00 0.00 C ATOM 742 CH2 TRP A 52 6.898 19.390 -8.102 1.00 0.00 C ATOM 0 H TRP A 52 4.221 15.641 -13.317 1.00 0.00 H new ATOM 0 HA TRP A 52 3.870 17.849 -11.530 1.00 0.00 H new ATOM 0 HB2 TRP A 52 5.680 17.052 -13.775 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.539 18.771 -13.463 1.00 0.00 H new ATOM 0 HD1 TRP A 52 7.796 16.159 -12.598 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.981 16.505 -10.326 1.00 0.00 H new ATOM 0 HE3 TRP A 52 4.669 19.705 -10.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 8.595 18.093 -8.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 5.146 20.594 -8.408 1.00 0.00 H new ATOM 0 HH2 TRP A 52 7.084 19.797 -7.119 1.00 0.00 H new ATOM 753 N ARG A 53 2.827 19.707 -12.884 1.00 0.00 N ATOM 754 CA ARG A 53 1.977 20.677 -13.564 1.00 0.00 C ATOM 755 C ARG A 53 2.758 21.942 -13.904 1.00 0.00 C ATOM 756 O ARG A 53 3.926 22.078 -13.541 1.00 0.00 O ATOM 757 CB ARG A 53 0.769 21.028 -12.694 1.00 0.00 C ATOM 758 CG ARG A 53 1.142 21.657 -11.361 1.00 0.00 C ATOM 759 CD ARG A 53 0.175 21.246 -10.261 1.00 0.00 C ATOM 760 NE ARG A 53 -1.215 21.502 -10.631 1.00 0.00 N ATOM 761 CZ ARG A 53 -1.788 22.701 -10.572 1.00 0.00 C ATOM 762 NH1 ARG A 53 -1.095 23.756 -10.160 1.00 0.00 N ATOM 763 NH2 ARG A 53 -3.058 22.847 -10.925 1.00 0.00 N ATOM 0 H ARG A 53 3.210 20.032 -11.996 1.00 0.00 H new ATOM 0 HA ARG A 53 1.628 20.227 -14.493 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.124 21.714 -13.242 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.189 20.124 -12.510 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.154 21.359 -11.087 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.145 22.743 -11.458 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.303 20.186 -10.043 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.413 21.790 -9.347 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.779 20.716 -10.953 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.118 23.649 -9.887 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.540 24.673 -10.117 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.595 22.040 -11.242 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.497 23.766 -10.880 1.00 0.00 H new ATOM 777 N THR A 54 2.105 22.865 -14.603 1.00 0.00 N ATOM 778 CA THR A 54 2.738 24.120 -14.991 1.00 0.00 C ATOM 779 C THR A 54 2.908 25.039 -13.786 1.00 0.00 C ATOM 780 O THR A 54 2.236 24.875 -12.767 1.00 0.00 O ATOM 781 CB THR A 54 1.910 24.821 -16.068 1.00 0.00 C ATOM 782 OG1 THR A 54 2.530 26.029 -16.470 1.00 0.00 O ATOM 783 CG2 THR A 54 0.503 25.154 -15.619 1.00 0.00 C ATOM 0 H THR A 54 1.138 22.767 -14.912 1.00 0.00 H new ATOM 0 HA THR A 54 3.725 23.891 -15.393 1.00 0.00 H new ATOM 0 HB THR A 54 1.852 24.113 -16.895 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.986 26.462 -17.161 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.030 25.650 -16.430 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.019 24.236 -15.349 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.544 25.816 -14.754 1.00 0.00 H new ATOM 791 N PHE A 55 3.811 26.006 -13.909 1.00 0.00 N ATOM 792 CA PHE A 55 4.070 26.952 -12.830 1.00 0.00 C ATOM 793 C PHE A 55 3.427 28.303 -13.126 1.00 0.00 C ATOM 794 O PHE A 55 4.111 29.266 -13.472 1.00 0.00 O ATOM 795 CB PHE A 55 5.576 27.123 -12.624 1.00 0.00 C ATOM 796 CG PHE A 55 6.155 26.176 -11.611 1.00 0.00 C ATOM 797 CD1 PHE A 55 5.995 26.409 -10.255 1.00 0.00 C ATOM 798 CD2 PHE A 55 6.859 25.053 -12.017 1.00 0.00 C ATOM 799 CE1 PHE A 55 6.527 25.540 -9.321 1.00 0.00 C ATOM 800 CE2 PHE A 55 7.392 24.180 -11.086 1.00 0.00 C ATOM 801 CZ PHE A 55 7.226 24.424 -9.737 1.00 0.00 C ATOM 0 H PHE A 55 4.376 26.155 -14.745 1.00 0.00 H new ATOM 0 HA PHE A 55 3.629 26.553 -11.916 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.084 26.977 -13.577 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.777 28.147 -12.309 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.448 27.280 -9.924 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.993 24.858 -13.071 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.396 25.734 -8.267 1.00 0.00 H new ATOM 0 HE2 PHE A 55 7.938 23.308 -11.414 1.00 0.00 H new ATOM 0 HZ PHE A 55 7.642 23.743 -9.009 1.00 0.00 H new ATOM 811 N SER A 56 2.107 28.367 -12.987 1.00 0.00 N ATOM 812 CA SER A 56 1.370 29.600 -13.239 1.00 0.00 C ATOM 813 C SER A 56 0.010 29.571 -12.550 1.00 0.00 C ATOM 814 O SER A 56 -0.893 28.845 -12.968 1.00 0.00 O ATOM 815 CB SER A 56 1.189 29.814 -14.742 1.00 0.00 C ATOM 816 OG SER A 56 2.243 30.595 -15.278 1.00 0.00 O ATOM 0 H SER A 56 1.525 27.579 -12.701 1.00 0.00 H new ATOM 0 HA SER A 56 1.947 30.429 -12.829 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.154 28.849 -15.248 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.235 30.307 -14.930 1.00 0.00 H new ATOM 0 HG SER A 56 3.083 30.360 -14.832 1.00 0.00 H new ATOM 822 N ASN A 57 -0.131 30.365 -11.494 1.00 0.00 N ATOM 823 CA ASN A 57 -1.382 30.430 -10.748 1.00 0.00 C ATOM 824 C ASN A 57 -2.396 31.317 -11.462 1.00 0.00 C ATOM 825 O ASN A 57 -3.502 30.881 -11.782 1.00 0.00 O ATOM 826 CB ASN A 57 -1.130 30.959 -9.334 1.00 0.00 C ATOM 827 CG ASN A 57 -0.489 29.921 -8.434 1.00 0.00 C ATOM 828 OD1 ASN A 57 -0.405 28.744 -8.787 1.00 0.00 O ATOM 829 ND2 ASN A 57 -0.033 30.352 -7.265 1.00 0.00 N ATOM 0 H ASN A 57 0.606 30.972 -11.136 1.00 0.00 H new ATOM 0 HA ASN A 57 -1.791 29.422 -10.684 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.486 31.837 -9.387 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.075 31.282 -8.896 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.408 29.699 -6.618 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.124 31.336 -7.014 1.00 0.00 H new ATOM 836 N ASP A 58 -2.012 32.566 -11.710 1.00 0.00 N ATOM 837 CA ASP A 58 -2.887 33.515 -12.387 1.00 0.00 C ATOM 838 C ASP A 58 -2.199 34.115 -13.608 1.00 0.00 C ATOM 839 O ASP A 58 -0.976 34.257 -13.637 1.00 0.00 O ATOM 840 CB ASP A 58 -3.309 34.628 -11.427 1.00 0.00 C ATOM 841 CG ASP A 58 -4.497 34.235 -10.571 1.00 0.00 C ATOM 842 OD1 ASP A 58 -4.595 33.044 -10.204 1.00 0.00 O ATOM 843 OD2 ASP A 58 -5.328 35.116 -10.267 1.00 0.00 O ATOM 0 H ASP A 58 -1.100 32.943 -11.452 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.774 32.977 -12.720 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.469 34.885 -10.782 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.557 35.522 -11.999 1.00 0.00 H new ATOM 848 N LYS A 59 -2.991 34.466 -14.615 1.00 0.00 N ATOM 849 CA LYS A 59 -2.457 35.051 -15.840 1.00 0.00 C ATOM 850 C LYS A 59 -3.580 35.598 -16.718 1.00 0.00 C ATOM 851 O LYS A 59 -4.757 35.344 -16.465 1.00 0.00 O ATOM 852 CB LYS A 59 -1.648 34.011 -16.617 1.00 0.00 C ATOM 853 CG LYS A 59 -0.816 34.604 -17.743 1.00 0.00 C ATOM 854 CD LYS A 59 0.285 33.653 -18.182 1.00 0.00 C ATOM 855 CE LYS A 59 0.819 34.016 -19.559 1.00 0.00 C ATOM 856 NZ LYS A 59 1.202 35.454 -19.644 1.00 0.00 N ATOM 857 OXT LYS A 59 -3.260 36.415 -17.846 1.00 0.00 O ATOM 0 H LYS A 59 -4.005 34.356 -14.608 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.802 35.877 -15.562 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.988 33.486 -15.926 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.330 33.269 -17.032 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.461 34.833 -18.592 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.376 35.545 -17.415 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.099 33.677 -17.457 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.098 32.633 -18.197 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.685 33.395 -19.788 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.062 33.797 -20.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.758 35.615 -20.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.344 36.041 -19.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.771 35.711 -18.813 1.00 0.00 H new TER 871 LYS A 59 HETATM 872 ZN ZN A 60 2.545 -15.703 -3.685 1.00 0.00 ZN