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 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.21 USER MOD Single : A 17 ASN : amide:sc= -0.03 X(o=-0.03,f=-0.29) 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 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.306 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN :FLIP amide:sc= 0.872 F(o=-0.86,f=0.87) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 10.976 -7.416 -32.063 1.00 0.00 N ATOM 2 CA ALA A 2 10.797 -6.977 -30.655 1.00 0.00 C ATOM 3 C ALA A 2 9.330 -6.681 -30.355 1.00 0.00 C ATOM 4 O ALA A 2 8.597 -6.193 -31.215 1.00 0.00 O ATOM 5 CB ALA A 2 11.650 -5.750 -30.372 1.00 0.00 C ATOM 0 HA ALA A 2 11.119 -7.790 -30.004 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.509 -5.440 -29.337 1.00 0.00 H new ATOM 0 HB2 ALA A 2 12.700 -5.991 -30.539 1.00 0.00 H new ATOM 0 HB3 ALA A 2 11.353 -4.939 -31.038 1.00 0.00 H new ATOM 13 N SER A 3 8.910 -6.980 -29.130 1.00 0.00 N ATOM 14 CA SER A 3 7.532 -6.747 -28.717 1.00 0.00 C ATOM 15 C SER A 3 7.481 -6.091 -27.340 1.00 0.00 C ATOM 16 O SER A 3 7.584 -6.766 -26.316 1.00 0.00 O ATOM 17 CB SER A 3 6.754 -8.064 -28.695 1.00 0.00 C ATOM 18 OG SER A 3 5.438 -7.871 -28.205 1.00 0.00 O ATOM 0 H SER A 3 9.505 -7.384 -28.406 1.00 0.00 H new ATOM 0 HA SER A 3 7.072 -6.073 -29.439 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.713 -8.483 -29.701 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.276 -8.788 -28.069 1.00 0.00 H new ATOM 0 HG SER A 3 4.961 -8.727 -28.202 1.00 0.00 H new ATOM 24 N THR A 4 7.322 -4.772 -27.324 1.00 0.00 N ATOM 25 CA THR A 4 7.256 -4.024 -26.073 1.00 0.00 C ATOM 26 C THR A 4 5.841 -3.519 -25.816 1.00 0.00 C ATOM 27 O THR A 4 5.309 -3.665 -24.714 1.00 0.00 O ATOM 28 CB THR A 4 8.232 -2.846 -26.105 1.00 0.00 C ATOM 29 OG1 THR A 4 8.140 -2.087 -24.914 1.00 0.00 O ATOM 30 CG2 THR A 4 7.996 -1.905 -27.267 1.00 0.00 C ATOM 0 H THR A 4 7.236 -4.198 -28.163 1.00 0.00 H new ATOM 0 HA THR A 4 7.536 -4.696 -25.262 1.00 0.00 H new ATOM 0 HB THR A 4 9.220 -3.293 -26.214 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.773 -1.339 -24.953 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.722 -1.092 -27.230 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.108 -2.449 -28.205 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.988 -1.495 -27.204 1.00 0.00 H new ATOM 38 N SER A 5 5.235 -2.925 -26.838 1.00 0.00 N ATOM 39 CA SER A 5 3.880 -2.396 -26.724 1.00 0.00 C ATOM 40 C SER A 5 3.797 -1.340 -25.626 1.00 0.00 C ATOM 41 O SER A 5 4.817 -0.895 -25.101 1.00 0.00 O ATOM 42 CB SER A 5 2.892 -3.529 -26.435 1.00 0.00 C ATOM 43 OG SER A 5 3.089 -4.617 -27.320 1.00 0.00 O ATOM 0 H SER A 5 5.661 -2.797 -27.756 1.00 0.00 H new ATOM 0 HA SER A 5 3.619 -1.927 -27.673 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.013 -3.867 -25.406 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.871 -3.159 -26.531 1.00 0.00 H new ATOM 0 HG SER A 5 2.447 -5.328 -27.113 1.00 0.00 H new ATOM 49 N ARG A 6 2.575 -0.944 -25.285 1.00 0.00 N ATOM 50 CA ARG A 6 2.358 0.059 -24.249 1.00 0.00 C ATOM 51 C ARG A 6 1.213 -0.348 -23.329 1.00 0.00 C ATOM 52 O ARG A 6 0.041 -0.197 -23.675 1.00 0.00 O ATOM 53 CB ARG A 6 2.060 1.419 -24.883 1.00 0.00 C ATOM 54 CG ARG A 6 1.057 1.352 -26.022 1.00 0.00 C ATOM 55 CD ARG A 6 0.587 2.738 -26.433 1.00 0.00 C ATOM 56 NE ARG A 6 1.682 3.562 -26.938 1.00 0.00 N ATOM 57 CZ ARG A 6 1.508 4.659 -27.672 1.00 0.00 C ATOM 58 NH1 ARG A 6 0.284 5.067 -27.987 1.00 0.00 N ATOM 59 NH2 ARG A 6 2.559 5.350 -28.092 1.00 0.00 N ATOM 0 H ARG A 6 1.720 -1.302 -25.711 1.00 0.00 H new ATOM 0 HA ARG A 6 3.268 0.134 -23.654 1.00 0.00 H new ATOM 0 HB2 ARG A 6 1.681 2.093 -24.115 1.00 0.00 H new ATOM 0 HB3 ARG A 6 2.990 1.849 -25.254 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.510 0.852 -26.878 1.00 0.00 H new ATOM 0 HG3 ARG A 6 0.200 0.751 -25.718 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.181 2.647 -27.201 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.126 3.233 -25.578 1.00 0.00 H new ATOM 0 HE ARG A 6 2.637 3.280 -26.715 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.528 4.539 -27.666 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.156 5.908 -28.550 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.501 5.041 -27.853 1.00 0.00 H new ATOM 0 HH22 ARG A 6 2.425 6.190 -28.654 1.00 0.00 H new ATOM 73 N LEU A 7 1.559 -0.866 -22.154 1.00 0.00 N ATOM 74 CA LEU A 7 0.559 -1.294 -21.183 1.00 0.00 C ATOM 75 C LEU A 7 1.068 -1.097 -19.758 1.00 0.00 C ATOM 76 O LEU A 7 2.196 -0.652 -19.547 1.00 0.00 O ATOM 77 CB LEU A 7 0.194 -2.763 -21.409 1.00 0.00 C ATOM 78 CG LEU A 7 -0.990 -2.998 -22.348 1.00 0.00 C ATOM 79 CD1 LEU A 7 -0.938 -4.402 -22.931 1.00 0.00 C ATOM 80 CD2 LEU A 7 -2.304 -2.771 -21.616 1.00 0.00 C ATOM 0 H LEU A 7 2.524 -0.999 -21.852 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.332 -0.681 -21.320 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.065 -3.280 -21.811 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.031 -3.218 -20.445 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.926 -2.283 -23.169 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.788 -4.551 -23.597 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.012 -4.529 -23.491 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.977 -5.133 -22.123 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.136 -2.943 -22.299 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.376 -3.462 -20.776 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.343 -1.746 -21.248 1.00 0.00 H new ATOM 92 N ASP A 8 0.228 -1.432 -18.783 1.00 0.00 N ATOM 93 CA ASP A 8 0.595 -1.291 -17.379 1.00 0.00 C ATOM 94 C ASP A 8 -0.080 -2.365 -16.531 1.00 0.00 C ATOM 95 O ASP A 8 -1.283 -2.307 -16.278 1.00 0.00 O ATOM 96 CB ASP A 8 0.209 0.097 -16.867 1.00 0.00 C ATOM 97 CG ASP A 8 1.071 1.194 -17.461 1.00 0.00 C ATOM 98 OD1 ASP A 8 2.312 1.089 -17.365 1.00 0.00 O ATOM 99 OD2 ASP A 8 0.506 2.156 -18.021 1.00 0.00 O ATOM 0 H ASP A 8 -0.709 -1.802 -18.940 1.00 0.00 H new ATOM 0 HA ASP A 8 1.675 -1.413 -17.296 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.837 0.291 -17.106 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.297 0.118 -15.781 1.00 0.00 H new ATOM 104 N ALA A 9 0.706 -3.345 -16.093 1.00 0.00 N ATOM 105 CA ALA A 9 0.186 -4.433 -15.274 1.00 0.00 C ATOM 106 C ALA A 9 0.335 -4.120 -13.788 1.00 0.00 C ATOM 107 O ALA A 9 1.242 -3.391 -13.386 1.00 0.00 O ATOM 108 CB ALA A 9 0.895 -5.735 -15.614 1.00 0.00 C ATOM 0 H ALA A 9 1.704 -3.407 -16.292 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.876 -4.543 -15.492 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.497 -6.539 -14.995 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.734 -5.973 -16.665 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.963 -5.628 -15.426 1.00 0.00 H new ATOM 114 N LEU A 10 -0.558 -4.678 -12.979 1.00 0.00 N ATOM 115 CA LEU A 10 -0.522 -4.459 -11.538 1.00 0.00 C ATOM 116 C LEU A 10 -1.153 -5.634 -10.792 1.00 0.00 C ATOM 117 O LEU A 10 -2.102 -6.251 -11.277 1.00 0.00 O ATOM 118 CB LEU A 10 -1.242 -3.155 -11.169 1.00 0.00 C ATOM 119 CG LEU A 10 -2.474 -2.815 -12.014 1.00 0.00 C ATOM 120 CD1 LEU A 10 -2.063 -2.365 -13.408 1.00 0.00 C ATOM 121 CD2 LEU A 10 -3.419 -4.005 -12.091 1.00 0.00 C ATOM 0 H LEU A 10 -1.315 -5.284 -13.296 1.00 0.00 H new ATOM 0 HA LEU A 10 0.523 -4.379 -11.239 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.546 -3.212 -10.124 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.531 -2.333 -11.250 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.001 -1.992 -11.531 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.953 -2.129 -13.991 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.432 -1.479 -13.333 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.509 -3.164 -13.900 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.287 -3.742 -12.696 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.903 -4.851 -12.546 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.745 -4.276 -11.087 1.00 0.00 H new ATOM 133 N PRO A 11 -0.628 -5.963 -9.599 1.00 0.00 N ATOM 134 CA PRO A 11 -1.138 -7.069 -8.788 1.00 0.00 C ATOM 135 C PRO A 11 -2.369 -6.674 -7.976 1.00 0.00 C ATOM 136 O PRO A 11 -2.325 -6.625 -6.747 1.00 0.00 O ATOM 137 CB PRO A 11 0.038 -7.381 -7.868 1.00 0.00 C ATOM 138 CG PRO A 11 0.721 -6.070 -7.676 1.00 0.00 C ATOM 139 CD PRO A 11 0.510 -5.285 -8.946 1.00 0.00 C ATOM 0 HA PRO A 11 -1.465 -7.914 -9.394 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.300 -7.795 -6.918 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.708 -8.116 -8.315 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.307 -5.539 -6.819 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.784 -6.212 -7.480 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.285 -4.239 -8.736 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.399 -5.299 -9.577 1.00 0.00 H new ATOM 147 N ARG A 12 -3.466 -6.394 -8.672 1.00 0.00 N ATOM 148 CA ARG A 12 -4.709 -6.003 -8.016 1.00 0.00 C ATOM 149 C ARG A 12 -5.186 -7.092 -7.060 1.00 0.00 C ATOM 150 O ARG A 12 -5.764 -8.091 -7.489 1.00 0.00 O ATOM 151 CB ARG A 12 -5.790 -5.707 -9.059 1.00 0.00 C ATOM 152 CG ARG A 12 -6.216 -4.247 -9.098 1.00 0.00 C ATOM 153 CD ARG A 12 -6.636 -3.749 -7.724 1.00 0.00 C ATOM 154 NE ARG A 12 -7.896 -3.011 -7.770 1.00 0.00 N ATOM 155 CZ ARG A 12 -9.094 -3.590 -7.813 1.00 0.00 C ATOM 156 NH1 ARG A 12 -9.199 -4.912 -7.824 1.00 0.00 N ATOM 157 NH2 ARG A 12 -10.189 -2.843 -7.848 1.00 0.00 N ATOM 0 H ARG A 12 -3.520 -6.430 -9.690 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.518 -5.099 -7.438 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.422 -5.996 -10.043 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.663 -6.326 -8.851 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.393 -3.637 -9.471 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.043 -4.127 -9.797 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.737 -4.597 -7.047 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.855 -3.107 -7.317 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.855 -1.992 -7.769 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.359 -5.491 -7.799 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.119 -5.350 -7.857 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.113 -1.826 -7.842 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.107 -3.286 -7.881 1.00 0.00 H new ATOM 171 N VAL A 13 -4.936 -6.884 -5.767 1.00 0.00 N ATOM 172 CA VAL A 13 -5.329 -7.831 -4.723 1.00 0.00 C ATOM 173 C VAL A 13 -4.854 -9.253 -5.029 1.00 0.00 C ATOM 174 O VAL A 13 -4.560 -9.593 -6.175 1.00 0.00 O ATOM 175 CB VAL A 13 -6.859 -7.832 -4.492 1.00 0.00 C ATOM 176 CG1 VAL A 13 -7.605 -8.412 -5.685 1.00 0.00 C ATOM 177 CG2 VAL A 13 -7.205 -8.594 -3.222 1.00 0.00 C ATOM 0 H VAL A 13 -4.456 -6.056 -5.414 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.839 -7.493 -3.810 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.178 -6.796 -4.377 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.677 -8.396 -5.487 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.392 -7.816 -6.572 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.282 -9.440 -5.852 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.285 -8.585 -3.075 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.860 -9.624 -3.310 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.719 -8.120 -2.369 1.00 0.00 H new ATOM 187 N THR A 14 -4.776 -10.080 -3.991 1.00 0.00 N ATOM 188 CA THR A 14 -4.335 -11.461 -4.143 1.00 0.00 C ATOM 189 C THR A 14 -2.950 -11.532 -4.779 1.00 0.00 C ATOM 190 O THR A 14 -2.435 -10.533 -5.281 1.00 0.00 O ATOM 191 CB THR A 14 -5.337 -12.247 -4.992 1.00 0.00 C ATOM 192 OG1 THR A 14 -6.609 -11.623 -4.973 1.00 0.00 O ATOM 193 CG2 THR A 14 -5.520 -13.676 -4.529 1.00 0.00 C ATOM 0 H THR A 14 -5.013 -9.817 -3.035 1.00 0.00 H new ATOM 0 HA THR A 14 -4.278 -11.905 -3.149 1.00 0.00 H new ATOM 0 HB THR A 14 -4.918 -12.258 -5.998 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.235 -12.139 -5.523 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.243 -14.177 -5.173 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.565 -14.200 -4.579 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.884 -13.682 -3.502 1.00 0.00 H new ATOM 201 N CYS A 15 -2.357 -12.720 -4.755 1.00 0.00 N ATOM 202 CA CYS A 15 -1.033 -12.928 -5.331 1.00 0.00 C ATOM 203 C CYS A 15 -1.146 -13.355 -6.796 1.00 0.00 C ATOM 204 O CYS A 15 -2.024 -14.140 -7.152 1.00 0.00 O ATOM 205 CB CYS A 15 -0.272 -13.987 -4.526 1.00 0.00 C ATOM 206 SG CYS A 15 1.280 -14.539 -5.278 1.00 0.00 S ATOM 0 H CYS A 15 -2.772 -13.555 -4.342 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.482 -11.988 -5.289 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -0.057 -13.586 -3.535 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.920 -14.852 -4.386 1.00 0.00 H new ATOM 211 N PRO A 16 -0.260 -12.840 -7.667 1.00 0.00 N ATOM 212 CA PRO A 16 -0.275 -13.175 -9.095 1.00 0.00 C ATOM 213 C PRO A 16 -0.171 -14.675 -9.346 1.00 0.00 C ATOM 214 O PRO A 16 -0.847 -15.216 -10.220 1.00 0.00 O ATOM 215 CB PRO A 16 0.960 -12.457 -9.649 1.00 0.00 C ATOM 216 CG PRO A 16 1.240 -11.365 -8.676 1.00 0.00 C ATOM 217 CD PRO A 16 0.820 -11.893 -7.333 1.00 0.00 C ATOM 0 HA PRO A 16 -1.209 -12.872 -9.567 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.807 -13.137 -9.733 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.771 -12.059 -10.646 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.298 -11.101 -8.679 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.685 -10.462 -8.932 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.644 -12.387 -6.819 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.468 -11.095 -6.679 1.00 0.00 H new ATOM 225 N ASN A 17 0.686 -15.336 -8.580 1.00 0.00 N ATOM 226 CA ASN A 17 0.890 -16.775 -8.723 1.00 0.00 C ATOM 227 C ASN A 17 0.168 -17.562 -7.627 1.00 0.00 C ATOM 228 O ASN A 17 0.200 -18.792 -7.620 1.00 0.00 O ATOM 229 CB ASN A 17 2.384 -17.101 -8.698 1.00 0.00 C ATOM 230 CG ASN A 17 3.002 -17.077 -10.082 1.00 0.00 C ATOM 231 OD1 ASN A 17 2.480 -17.681 -11.018 1.00 0.00 O ATOM 232 ND2 ASN A 17 4.121 -16.374 -10.218 1.00 0.00 N ATOM 0 H ASN A 17 1.252 -14.900 -7.852 1.00 0.00 H new ATOM 0 HA ASN A 17 0.468 -17.073 -9.683 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.899 -16.383 -8.060 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.531 -18.085 -8.254 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.582 -16.320 -11.126 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.519 -15.888 -9.414 1.00 0.00 H new ATOM 239 N HIS A 18 -0.484 -16.856 -6.706 1.00 0.00 N ATOM 240 CA HIS A 18 -1.206 -17.510 -5.620 1.00 0.00 C ATOM 241 C HIS A 18 -2.573 -16.862 -5.405 1.00 0.00 C ATOM 242 O HIS A 18 -2.754 -16.066 -4.484 1.00 0.00 O ATOM 243 CB HIS A 18 -0.393 -17.458 -4.325 1.00 0.00 C ATOM 244 CG HIS A 18 0.861 -18.272 -4.374 1.00 0.00 C ATOM 245 ND1 HIS A 18 2.094 -17.709 -4.135 1.00 0.00 N ATOM 246 CD2 HIS A 18 1.013 -19.593 -4.631 1.00 0.00 C ATOM 247 CE1 HIS A 18 2.963 -18.703 -4.251 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.353 -19.859 -4.551 1.00 0.00 N ATOM 0 H HIS A 18 -0.527 -15.837 -6.690 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.357 -18.553 -5.899 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.135 -16.421 -4.109 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.014 -17.811 -3.501 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.228 -20.300 -4.856 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.030 -18.595 -4.120 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.802 -20.764 -4.693 1.00 0.00 H new ATOM 256 N PRO A 19 -3.557 -17.201 -6.255 1.00 0.00 N ATOM 257 CA PRO A 19 -4.913 -16.652 -6.154 1.00 0.00 C ATOM 258 C PRO A 19 -5.631 -17.114 -4.890 1.00 0.00 C ATOM 259 O PRO A 19 -6.541 -16.445 -4.401 1.00 0.00 O ATOM 260 CB PRO A 19 -5.617 -17.197 -7.399 1.00 0.00 C ATOM 261 CG PRO A 19 -4.852 -18.421 -7.766 1.00 0.00 C ATOM 262 CD PRO A 19 -3.426 -18.147 -7.378 1.00 0.00 C ATOM 0 HA PRO A 19 -4.907 -15.563 -6.098 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.661 -17.431 -7.192 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.608 -16.468 -8.209 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.238 -19.295 -7.242 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.934 -18.627 -8.833 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.908 -19.058 -7.078 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.860 -17.716 -8.204 1.00 0.00 H new ATOM 270 N ASP A 20 -5.213 -18.262 -4.361 1.00 0.00 N ATOM 271 CA ASP A 20 -5.816 -18.810 -3.153 1.00 0.00 C ATOM 272 C ASP A 20 -5.296 -18.090 -1.912 1.00 0.00 C ATOM 273 O ASP A 20 -6.068 -17.713 -1.031 1.00 0.00 O ATOM 274 CB ASP A 20 -5.526 -20.308 -3.046 1.00 0.00 C ATOM 275 CG ASP A 20 -4.040 -20.611 -3.042 1.00 0.00 C ATOM 276 OD1 ASP A 20 -3.336 -20.142 -3.960 1.00 0.00 O ATOM 277 OD2 ASP A 20 -3.581 -21.317 -2.119 1.00 0.00 O ATOM 0 H ASP A 20 -4.460 -18.829 -4.751 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.894 -18.660 -3.215 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.976 -20.698 -2.133 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.998 -20.827 -3.881 1.00 0.00 H new ATOM 282 N ALA A 21 -3.981 -17.901 -1.852 1.00 0.00 N ATOM 283 CA ALA A 21 -3.357 -17.225 -0.721 1.00 0.00 C ATOM 284 C ALA A 21 -3.042 -15.771 -1.061 1.00 0.00 C ATOM 285 O ALA A 21 -2.173 -15.489 -1.886 1.00 0.00 O ATOM 286 CB ALA A 21 -2.091 -17.956 -0.301 1.00 0.00 C ATOM 0 H ALA A 21 -3.328 -18.207 -2.573 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.061 -17.235 0.111 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.636 -17.440 0.544 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.339 -18.977 -0.012 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.389 -17.976 -1.134 1.00 0.00 H new ATOM 292 N ILE A 22 -3.759 -14.852 -0.422 1.00 0.00 N ATOM 293 CA ILE A 22 -3.566 -13.430 -0.656 1.00 0.00 C ATOM 294 C ILE A 22 -2.324 -12.910 0.061 1.00 0.00 C ATOM 295 O ILE A 22 -1.921 -13.444 1.096 1.00 0.00 O ATOM 296 CB ILE A 22 -4.790 -12.627 -0.182 1.00 0.00 C ATOM 297 CG1 ILE A 22 -5.176 -13.028 1.244 1.00 0.00 C ATOM 298 CG2 ILE A 22 -5.960 -12.833 -1.133 1.00 0.00 C ATOM 299 CD1 ILE A 22 -5.426 -11.848 2.157 1.00 0.00 C ATOM 0 H ILE A 22 -4.481 -15.071 0.264 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.436 -13.298 -1.730 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.530 -11.568 -0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.073 -13.646 1.209 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.382 -13.643 1.667 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.818 -12.259 -0.784 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.681 -12.497 -2.132 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.221 -13.891 -1.165 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.695 -12.207 3.150 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.523 -11.241 2.223 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.241 -11.244 1.757 1.00 0.00 H new ATOM 311 N LEU A 23 -1.724 -11.861 -0.493 1.00 0.00 N ATOM 312 CA LEU A 23 -0.529 -11.261 0.092 1.00 0.00 C ATOM 313 C LEU A 23 -0.859 -10.603 1.430 1.00 0.00 C ATOM 314 O LEU A 23 -1.540 -9.580 1.478 1.00 0.00 O ATOM 315 CB LEU A 23 0.065 -10.226 -0.867 1.00 0.00 C ATOM 316 CG LEU A 23 1.237 -10.728 -1.712 1.00 0.00 C ATOM 317 CD1 LEU A 23 0.739 -11.283 -3.038 1.00 0.00 C ATOM 318 CD2 LEU A 23 2.247 -9.611 -1.942 1.00 0.00 C ATOM 0 H LEU A 23 -2.046 -11.408 -1.348 1.00 0.00 H new ATOM 0 HA LEU A 23 0.204 -12.049 0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.722 -9.877 -1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.397 -9.364 -0.288 1.00 0.00 H new ATOM 0 HG LEU A 23 1.734 -11.532 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.586 -11.636 -3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.056 -12.112 -2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.217 -10.500 -3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.074 -9.987 -2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.763 -8.785 -2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.627 -9.261 -0.982 1.00 0.00 H new ATOM 330 N VAL A 24 -0.369 -11.196 2.514 1.00 0.00 N ATOM 331 CA VAL A 24 -0.611 -10.667 3.854 1.00 0.00 C ATOM 332 C VAL A 24 -0.165 -9.212 3.960 1.00 0.00 C ATOM 333 O VAL A 24 0.630 -8.734 3.150 1.00 0.00 O ATOM 334 CB VAL A 24 0.123 -11.496 4.927 1.00 0.00 C ATOM 335 CG1 VAL A 24 -0.342 -11.099 6.319 1.00 0.00 C ATOM 336 CG2 VAL A 24 -0.087 -12.984 4.691 1.00 0.00 C ATOM 0 H VAL A 24 0.198 -12.043 2.492 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.685 -10.729 4.029 1.00 0.00 H new ATOM 0 HB VAL A 24 1.190 -11.288 4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.187 -11.695 7.063 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.133 -10.042 6.485 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.414 -11.275 6.409 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.439 -13.552 5.459 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.152 -13.213 4.736 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.301 -13.255 3.709 1.00 0.00 H new ATOM 346 N GLU A 25 -0.687 -8.509 4.961 1.00 0.00 N ATOM 347 CA GLU A 25 -0.345 -7.105 5.170 1.00 0.00 C ATOM 348 C GLU A 25 0.287 -6.888 6.542 1.00 0.00 C ATOM 349 O GLU A 25 -0.214 -7.381 7.551 1.00 0.00 O ATOM 350 CB GLU A 25 -1.594 -6.234 5.030 1.00 0.00 C ATOM 351 CG GLU A 25 -2.642 -6.495 6.101 1.00 0.00 C ATOM 352 CD GLU A 25 -4.054 -6.476 5.551 1.00 0.00 C ATOM 353 OE1 GLU A 25 -4.309 -5.714 4.596 1.00 0.00 O ATOM 354 OE2 GLU A 25 -4.906 -7.223 6.077 1.00 0.00 O ATOM 0 H GLU A 25 -1.348 -8.888 5.640 1.00 0.00 H new ATOM 0 HA GLU A 25 0.383 -6.819 4.411 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.301 -5.185 5.068 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.038 -6.405 4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.449 -7.463 6.564 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.551 -5.743 6.884 1.00 0.00 H new ATOM 361 N ASP A 26 1.391 -6.143 6.565 1.00 0.00 N ATOM 362 CA ASP A 26 2.107 -5.843 7.806 1.00 0.00 C ATOM 363 C ASP A 26 2.233 -7.075 8.699 1.00 0.00 C ATOM 364 O ASP A 26 1.324 -7.396 9.465 1.00 0.00 O ATOM 365 CB ASP A 26 1.406 -4.714 8.568 1.00 0.00 C ATOM 366 CG ASP A 26 -0.017 -5.069 8.955 1.00 0.00 C ATOM 367 OD1 ASP A 26 -0.926 -4.866 8.122 1.00 0.00 O ATOM 368 OD2 ASP A 26 -0.221 -5.549 10.089 1.00 0.00 O ATOM 0 H ASP A 26 1.812 -5.733 5.732 1.00 0.00 H new ATOM 0 HA ASP A 26 3.113 -5.523 7.533 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.976 -4.479 9.467 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.398 -3.815 7.952 1.00 0.00 H new ATOM 373 N TYR A 27 3.368 -7.759 8.599 1.00 0.00 N ATOM 374 CA TYR A 27 3.613 -8.952 9.400 1.00 0.00 C ATOM 375 C TYR A 27 4.601 -8.658 10.526 1.00 0.00 C ATOM 376 O TYR A 27 4.229 -8.631 11.699 1.00 0.00 O ATOM 377 CB TYR A 27 4.144 -10.086 8.518 1.00 0.00 C ATOM 378 CG TYR A 27 3.546 -11.436 8.846 1.00 0.00 C ATOM 379 CD1 TYR A 27 3.480 -11.888 10.157 1.00 0.00 C ATOM 380 CD2 TYR A 27 3.048 -12.258 7.842 1.00 0.00 C ATOM 381 CE1 TYR A 27 2.935 -13.122 10.460 1.00 0.00 C ATOM 382 CE2 TYR A 27 2.501 -13.493 8.138 1.00 0.00 C ATOM 383 CZ TYR A 27 2.447 -13.919 9.447 1.00 0.00 C ATOM 384 OH TYR A 27 1.904 -15.148 9.745 1.00 0.00 O ATOM 0 H TYR A 27 4.132 -7.508 7.972 1.00 0.00 H new ATOM 0 HA TYR A 27 2.667 -9.262 9.844 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.938 -9.850 7.474 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.227 -10.142 8.625 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.861 -11.265 10.953 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.089 -11.927 6.815 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.892 -13.460 11.485 1.00 0.00 H new ATOM 0 HE2 TYR A 27 2.118 -14.121 7.347 1.00 0.00 H new ATOM 0 HH TYR A 27 1.606 -15.583 8.919 1.00 0.00 H new ATOM 394 N ARG A 28 5.860 -8.439 10.162 1.00 0.00 N ATOM 395 CA ARG A 28 6.901 -8.147 11.144 1.00 0.00 C ATOM 396 C ARG A 28 7.733 -6.945 10.723 1.00 0.00 C ATOM 397 O ARG A 28 8.861 -6.758 11.183 1.00 0.00 O ATOM 398 CB ARG A 28 7.807 -9.357 11.323 1.00 0.00 C ATOM 399 CG ARG A 28 7.352 -10.307 12.419 1.00 0.00 C ATOM 400 CD ARG A 28 6.114 -11.088 12.005 1.00 0.00 C ATOM 401 NE ARG A 28 5.016 -10.912 12.952 1.00 0.00 N ATOM 402 CZ ARG A 28 4.997 -11.441 14.174 1.00 0.00 C ATOM 403 NH1 ARG A 28 6.017 -12.177 14.601 1.00 0.00 N ATOM 404 NH2 ARG A 28 3.958 -11.234 14.971 1.00 0.00 N ATOM 0 H ARG A 28 6.185 -8.458 9.195 1.00 0.00 H new ATOM 0 HA ARG A 28 6.412 -7.914 12.090 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.859 -9.903 10.381 1.00 0.00 H new ATOM 0 HB3 ARG A 28 8.816 -9.013 11.549 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.158 -11.001 12.657 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.140 -9.742 13.326 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.795 -10.763 11.015 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.361 -12.147 11.929 1.00 0.00 H new ATOM 0 HE ARG A 28 4.216 -10.350 12.660 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.819 -12.339 13.992 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.998 -12.580 15.538 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.172 -10.669 14.648 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.944 -11.640 15.907 1.00 0.00 H new ATOM 418 N ALA A 29 7.166 -6.140 9.849 1.00 0.00 N ATOM 419 CA ALA A 29 7.837 -4.947 9.349 1.00 0.00 C ATOM 420 C ALA A 29 6.829 -3.895 8.902 1.00 0.00 C ATOM 421 O ALA A 29 6.989 -2.707 9.184 1.00 0.00 O ATOM 422 CB ALA A 29 8.771 -5.307 8.204 1.00 0.00 C ATOM 0 H ALA A 29 6.233 -6.288 9.464 1.00 0.00 H new ATOM 0 HA ALA A 29 8.425 -4.524 10.163 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.265 -4.406 7.841 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.521 -6.016 8.555 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.197 -5.758 7.394 1.00 0.00 H new ATOM 428 N GLY A 30 5.791 -4.340 8.206 1.00 0.00 N ATOM 429 CA GLY A 30 4.770 -3.425 7.730 1.00 0.00 C ATOM 430 C GLY A 30 4.334 -3.729 6.310 1.00 0.00 C ATOM 431 O GLY A 30 3.139 -3.785 6.019 1.00 0.00 O ATOM 0 H GLY A 30 5.637 -5.318 7.962 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.905 -3.476 8.391 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.150 -2.404 7.779 1.00 0.00 H new ATOM 435 N ASP A 31 5.305 -3.928 5.425 1.00 0.00 N ATOM 436 CA ASP A 31 5.015 -4.229 4.027 1.00 0.00 C ATOM 437 C ASP A 31 4.198 -5.512 3.907 1.00 0.00 C ATOM 438 O ASP A 31 3.953 -6.198 4.899 1.00 0.00 O ATOM 439 CB ASP A 31 6.315 -4.362 3.232 1.00 0.00 C ATOM 440 CG ASP A 31 7.338 -5.234 3.934 1.00 0.00 C ATOM 441 OD1 ASP A 31 6.928 -6.152 4.674 1.00 0.00 O ATOM 442 OD2 ASP A 31 8.550 -4.996 3.745 1.00 0.00 O ATOM 0 H ASP A 31 6.299 -3.886 5.650 1.00 0.00 H new ATOM 0 HA ASP A 31 4.430 -3.406 3.617 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.096 -4.783 2.251 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.739 -3.372 3.066 1.00 0.00 H new ATOM 447 N MET A 32 3.780 -5.830 2.687 1.00 0.00 N ATOM 448 CA MET A 32 2.993 -7.032 2.439 1.00 0.00 C ATOM 449 C MET A 32 3.900 -8.236 2.211 1.00 0.00 C ATOM 450 O MET A 32 5.073 -8.085 1.870 1.00 0.00 O ATOM 451 CB MET A 32 2.079 -6.829 1.230 1.00 0.00 C ATOM 452 CG MET A 32 1.138 -5.645 1.370 1.00 0.00 C ATOM 453 SD MET A 32 1.863 -4.105 0.771 1.00 0.00 S ATOM 454 CE MET A 32 0.518 -2.960 1.069 1.00 0.00 C ATOM 0 H MET A 32 3.973 -5.273 1.855 1.00 0.00 H new ATOM 0 HA MET A 32 2.379 -7.223 3.319 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.693 -6.691 0.340 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.491 -7.733 1.074 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.220 -5.848 0.818 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.861 -5.528 2.418 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.813 -1.961 0.749 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.360 -3.276 0.506 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.281 -2.946 2.133 1.00 0.00 H new ATOM 464 N ILE A 33 3.352 -9.432 2.402 1.00 0.00 N ATOM 465 CA ILE A 33 4.115 -10.660 2.217 1.00 0.00 C ATOM 466 C ILE A 33 3.194 -11.842 1.934 1.00 0.00 C ATOM 467 O ILE A 33 2.180 -12.022 2.606 1.00 0.00 O ATOM 468 CB ILE A 33 4.979 -10.974 3.456 1.00 0.00 C ATOM 469 CG1 ILE A 33 5.830 -12.226 3.217 1.00 0.00 C ATOM 470 CG2 ILE A 33 4.100 -11.147 4.687 1.00 0.00 C ATOM 471 CD1 ILE A 33 7.305 -11.932 3.052 1.00 0.00 C ATOM 0 H ILE A 33 2.383 -9.576 2.685 1.00 0.00 H new ATOM 0 HA ILE A 33 4.769 -10.503 1.359 1.00 0.00 H new ATOM 0 HB ILE A 33 5.652 -10.134 3.630 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.696 -12.912 4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.468 -12.737 2.325 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.725 -11.368 5.552 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.542 -10.228 4.868 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.403 -11.969 4.524 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.845 -12.864 2.886 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.451 -11.271 2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.683 -11.449 3.953 1.00 0.00 H new ATOM 483 N CYS A 34 3.552 -12.649 0.938 1.00 0.00 N ATOM 484 CA CYS A 34 2.747 -13.810 0.577 1.00 0.00 C ATOM 485 C CYS A 34 3.167 -15.034 1.387 1.00 0.00 C ATOM 486 O CYS A 34 4.358 -15.310 1.532 1.00 0.00 O ATOM 487 CB CYS A 34 2.891 -14.095 -0.915 1.00 0.00 C ATOM 488 SG CYS A 34 1.743 -15.330 -1.569 1.00 0.00 S ATOM 0 H CYS A 34 4.390 -12.520 0.370 1.00 0.00 H new ATOM 0 HA CYS A 34 1.703 -13.592 0.803 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.750 -13.163 -1.463 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.910 -14.429 -1.110 1.00 0.00 H new ATOM 493 N PRO A 35 2.196 -15.790 1.928 1.00 0.00 N ATOM 494 CA PRO A 35 2.484 -16.985 2.723 1.00 0.00 C ATOM 495 C PRO A 35 2.878 -18.183 1.862 1.00 0.00 C ATOM 496 O PRO A 35 3.168 -19.261 2.382 1.00 0.00 O ATOM 497 CB PRO A 35 1.160 -17.251 3.435 1.00 0.00 C ATOM 498 CG PRO A 35 0.124 -16.724 2.505 1.00 0.00 C ATOM 499 CD PRO A 35 0.745 -15.540 1.811 1.00 0.00 C ATOM 0 HA PRO A 35 3.329 -16.836 3.395 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.018 -18.315 3.625 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.120 -16.747 4.400 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.175 -17.485 1.784 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.774 -16.430 3.049 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.432 -15.477 0.769 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.460 -14.602 2.287 1.00 0.00 H new ATOM 507 N GLU A 36 2.884 -17.993 0.545 1.00 0.00 N ATOM 508 CA GLU A 36 3.240 -19.063 -0.378 1.00 0.00 C ATOM 509 C GLU A 36 4.598 -18.800 -1.028 1.00 0.00 C ATOM 510 O GLU A 36 5.601 -19.404 -0.646 1.00 0.00 O ATOM 511 CB GLU A 36 2.161 -19.216 -1.449 1.00 0.00 C ATOM 512 CG GLU A 36 0.815 -19.657 -0.898 1.00 0.00 C ATOM 513 CD GLU A 36 0.649 -21.165 -0.901 1.00 0.00 C ATOM 514 OE1 GLU A 36 1.358 -21.839 -1.677 1.00 0.00 O ATOM 515 OE2 GLU A 36 -0.190 -21.671 -0.126 1.00 0.00 O ATOM 0 H GLU A 36 2.647 -17.109 0.095 1.00 0.00 H new ATOM 0 HA GLU A 36 3.311 -19.991 0.189 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.038 -18.265 -1.967 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.496 -19.942 -2.190 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.704 -19.285 0.121 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.019 -19.206 -1.490 1.00 0.00 H new ATOM 522 N CYS A 37 4.633 -17.897 -2.009 1.00 0.00 N ATOM 523 CA CYS A 37 5.886 -17.574 -2.690 1.00 0.00 C ATOM 524 C CYS A 37 6.832 -16.820 -1.763 1.00 0.00 C ATOM 525 O CYS A 37 8.033 -16.739 -2.022 1.00 0.00 O ATOM 526 CB CYS A 37 5.641 -16.743 -3.957 1.00 0.00 C ATOM 527 SG CYS A 37 4.676 -15.239 -3.706 1.00 0.00 S ATOM 0 H CYS A 37 3.819 -17.383 -2.346 1.00 0.00 H new ATOM 0 HA CYS A 37 6.345 -18.520 -2.978 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.605 -16.471 -4.387 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.130 -17.367 -4.690 1.00 0.00 H new ATOM 532 N GLY A 38 6.289 -16.263 -0.684 1.00 0.00 N ATOM 533 CA GLY A 38 7.109 -15.521 0.252 1.00 0.00 C ATOM 534 C GLY A 38 7.664 -14.254 -0.362 1.00 0.00 C ATOM 535 O GLY A 38 8.861 -13.985 -0.269 1.00 0.00 O ATOM 0 H GLY A 38 5.299 -16.313 -0.443 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.517 -15.269 1.132 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.932 -16.150 0.591 1.00 0.00 H new ATOM 539 N LEU A 39 6.792 -13.472 -0.992 1.00 0.00 N ATOM 540 CA LEU A 39 7.208 -12.227 -1.622 1.00 0.00 C ATOM 541 C LEU A 39 7.037 -11.058 -0.661 1.00 0.00 C ATOM 542 O LEU A 39 6.473 -11.214 0.421 1.00 0.00 O ATOM 543 CB LEU A 39 6.415 -11.986 -2.913 1.00 0.00 C ATOM 544 CG LEU A 39 5.087 -11.242 -2.745 1.00 0.00 C ATOM 545 CD1 LEU A 39 5.248 -9.774 -3.109 1.00 0.00 C ATOM 546 CD2 LEU A 39 4.000 -11.886 -3.594 1.00 0.00 C ATOM 0 H LEU A 39 5.797 -13.679 -1.079 1.00 0.00 H new ATOM 0 HA LEU A 39 8.264 -12.307 -1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.042 -11.422 -3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.214 -12.950 -3.380 1.00 0.00 H new ATOM 0 HG LEU A 39 4.788 -11.307 -1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.294 -9.261 -2.984 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.994 -9.317 -2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.572 -9.690 -4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.064 -11.343 -3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.292 -11.854 -4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.865 -12.923 -3.286 1.00 0.00 H new ATOM 558 N VAL A 40 7.530 -9.891 -1.061 1.00 0.00 N ATOM 559 CA VAL A 40 7.434 -8.697 -0.232 1.00 0.00 C ATOM 560 C VAL A 40 7.151 -7.458 -1.075 1.00 0.00 C ATOM 561 O VAL A 40 8.006 -7.004 -1.835 1.00 0.00 O ATOM 562 CB VAL A 40 8.728 -8.466 0.571 1.00 0.00 C ATOM 563 CG1 VAL A 40 8.537 -7.348 1.585 1.00 0.00 C ATOM 564 CG2 VAL A 40 9.167 -9.750 1.259 1.00 0.00 C ATOM 0 H VAL A 40 8.000 -9.747 -1.955 1.00 0.00 H new ATOM 0 HA VAL A 40 6.606 -8.861 0.458 1.00 0.00 H new ATOM 0 HB VAL A 40 9.514 -8.165 -0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.462 -7.200 2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.275 -6.426 1.065 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.737 -7.615 2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.083 -9.567 1.821 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.384 -10.084 1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.349 -10.520 0.510 1.00 0.00 H new ATOM 574 N VAL A 41 5.948 -6.912 -0.931 1.00 0.00 N ATOM 575 CA VAL A 41 5.557 -5.721 -1.676 1.00 0.00 C ATOM 576 C VAL A 41 5.863 -4.457 -0.881 1.00 0.00 C ATOM 577 O VAL A 41 5.366 -4.275 0.231 1.00 0.00 O ATOM 578 CB VAL A 41 4.058 -5.742 -2.028 1.00 0.00 C ATOM 579 CG1 VAL A 41 3.714 -4.596 -2.966 1.00 0.00 C ATOM 580 CG2 VAL A 41 3.672 -7.078 -2.643 1.00 0.00 C ATOM 0 H VAL A 41 5.228 -7.275 -0.306 1.00 0.00 H new ATOM 0 HA VAL A 41 6.136 -5.720 -2.599 1.00 0.00 H new ATOM 0 HB VAL A 41 3.486 -5.613 -1.109 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.651 -4.627 -3.204 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.950 -3.648 -2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.294 -4.691 -3.884 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.609 -7.074 -2.885 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.251 -7.241 -3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.879 -7.879 -1.933 1.00 0.00 H new ATOM 590 N GLY A 42 6.687 -3.588 -1.457 1.00 0.00 N ATOM 591 CA GLY A 42 7.049 -2.351 -0.787 1.00 0.00 C ATOM 592 C GLY A 42 5.841 -1.513 -0.418 1.00 0.00 C ATOM 593 O GLY A 42 4.732 -1.769 -0.888 1.00 0.00 O ATOM 0 H GLY A 42 7.111 -3.718 -2.376 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.615 -2.583 0.115 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.706 -1.770 -1.435 1.00 0.00 H new ATOM 597 N ASP A 43 6.057 -0.508 0.424 1.00 0.00 N ATOM 598 CA ASP A 43 4.979 0.372 0.858 1.00 0.00 C ATOM 599 C ASP A 43 5.072 1.728 0.167 1.00 0.00 C ATOM 600 O ASP A 43 6.015 1.990 -0.582 1.00 0.00 O ATOM 601 CB ASP A 43 5.021 0.554 2.376 1.00 0.00 C ATOM 602 CG ASP A 43 3.637 0.587 2.993 1.00 0.00 C ATOM 603 OD1 ASP A 43 2.984 1.650 2.931 1.00 0.00 O ATOM 604 OD2 ASP A 43 3.206 -0.450 3.540 1.00 0.00 O ATOM 0 H ASP A 43 6.970 -0.283 0.820 1.00 0.00 H new ATOM 0 HA ASP A 43 4.032 -0.091 0.582 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.595 -0.259 2.821 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.544 1.480 2.614 1.00 0.00 H new ATOM 609 N ARG A 44 4.090 2.585 0.421 1.00 0.00 N ATOM 610 CA ARG A 44 4.060 3.916 -0.177 1.00 0.00 C ATOM 611 C ARG A 44 3.933 3.827 -1.694 1.00 0.00 C ATOM 612 O ARG A 44 4.552 2.974 -2.330 1.00 0.00 O ATOM 613 CB ARG A 44 5.320 4.698 0.201 1.00 0.00 C ATOM 614 CG ARG A 44 5.082 5.758 1.264 1.00 0.00 C ATOM 615 CD ARG A 44 4.761 7.108 0.641 1.00 0.00 C ATOM 616 NE ARG A 44 5.807 7.547 -0.281 1.00 0.00 N ATOM 617 CZ ARG A 44 6.981 8.038 0.109 1.00 0.00 C ATOM 618 NH1 ARG A 44 7.263 8.155 1.401 1.00 0.00 N ATOM 619 NH2 ARG A 44 7.875 8.414 -0.795 1.00 0.00 N ATOM 0 H ARG A 44 3.303 2.382 1.037 1.00 0.00 H new ATOM 0 HA ARG A 44 3.188 4.443 0.211 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.077 4.000 0.559 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.723 5.175 -0.692 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.260 5.449 1.910 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.967 5.848 1.895 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.812 7.046 0.109 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.637 7.851 1.429 1.00 0.00 H new ATOM 0 HE ARG A 44 5.627 7.473 -1.282 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.578 7.868 2.100 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.164 8.532 1.694 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.663 8.327 -1.789 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.775 8.790 -0.497 1.00 0.00 H new ATOM 633 N VAL A 45 3.128 4.716 -2.268 1.00 0.00 N ATOM 634 CA VAL A 45 2.919 4.744 -3.711 1.00 0.00 C ATOM 635 C VAL A 45 2.528 3.365 -4.241 1.00 0.00 C ATOM 636 O VAL A 45 3.262 2.756 -5.019 1.00 0.00 O ATOM 637 CB VAL A 45 4.183 5.236 -4.443 1.00 0.00 C ATOM 638 CG1 VAL A 45 3.956 5.282 -5.947 1.00 0.00 C ATOM 639 CG2 VAL A 45 4.604 6.600 -3.919 1.00 0.00 C ATOM 0 H VAL A 45 2.609 5.428 -1.754 1.00 0.00 H new ATOM 0 HA VAL A 45 2.102 5.439 -3.905 1.00 0.00 H new ATOM 0 HB VAL A 45 4.989 4.529 -4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.862 5.632 -6.441 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.708 4.284 -6.308 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.135 5.963 -6.170 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.498 6.932 -4.447 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.799 7.317 -4.082 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.817 6.530 -2.852 1.00 0.00 H new ATOM 649 N ILE A 46 1.368 2.880 -3.812 1.00 0.00 N ATOM 650 CA ILE A 46 0.880 1.576 -4.242 1.00 0.00 C ATOM 651 C ILE A 46 -0.620 1.615 -4.518 1.00 0.00 C ATOM 652 O ILE A 46 -1.325 0.626 -4.315 1.00 0.00 O ATOM 653 CB ILE A 46 1.168 0.490 -3.187 1.00 0.00 C ATOM 654 CG1 ILE A 46 2.615 0.588 -2.703 1.00 0.00 C ATOM 655 CG2 ILE A 46 0.887 -0.891 -3.759 1.00 0.00 C ATOM 656 CD1 ILE A 46 3.635 0.327 -3.790 1.00 0.00 C ATOM 0 H ILE A 46 0.749 3.371 -3.167 1.00 0.00 H new ATOM 0 HA ILE A 46 1.411 1.328 -5.161 1.00 0.00 H new ATOM 0 HB ILE A 46 0.509 0.650 -2.334 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.784 1.582 -2.288 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.768 -0.126 -1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.095 -1.647 -3.002 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.159 -0.955 -4.058 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.524 -1.062 -4.627 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.639 0.413 -3.375 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.492 -0.677 -4.189 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.509 1.057 -4.590 1.00 0.00 H new ATOM 668 N ASP A 47 -1.100 2.763 -4.983 1.00 0.00 N ATOM 669 CA ASP A 47 -2.516 2.931 -5.286 1.00 0.00 C ATOM 670 C ASP A 47 -2.808 2.576 -6.742 1.00 0.00 C ATOM 671 O ASP A 47 -1.954 2.739 -7.613 1.00 0.00 O ATOM 672 CB ASP A 47 -2.952 4.368 -5.003 1.00 0.00 C ATOM 673 CG ASP A 47 -2.875 4.716 -3.529 1.00 0.00 C ATOM 674 OD1 ASP A 47 -1.750 4.756 -2.987 1.00 0.00 O ATOM 675 OD2 ASP A 47 -3.939 4.948 -2.917 1.00 0.00 O ATOM 0 H ASP A 47 -0.530 3.590 -5.158 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.081 2.254 -4.646 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.322 5.054 -5.569 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.974 4.511 -5.354 1.00 0.00 H new ATOM 680 N VAL A 48 -4.019 2.091 -6.996 1.00 0.00 N ATOM 681 CA VAL A 48 -4.423 1.715 -8.345 1.00 0.00 C ATOM 682 C VAL A 48 -5.487 2.664 -8.886 1.00 0.00 C ATOM 683 O VAL A 48 -5.552 2.920 -10.088 1.00 0.00 O ATOM 684 CB VAL A 48 -4.966 0.274 -8.388 1.00 0.00 C ATOM 685 CG1 VAL A 48 -5.191 -0.171 -9.825 1.00 0.00 C ATOM 686 CG2 VAL A 48 -4.019 -0.676 -7.671 1.00 0.00 C ATOM 0 H VAL A 48 -4.737 1.949 -6.285 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.532 1.778 -8.970 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.926 0.253 -7.871 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.575 -1.191 -9.834 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.912 0.492 -10.303 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.248 -0.133 -10.370 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.420 -1.689 -7.712 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.043 -0.652 -8.156 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.915 -0.369 -6.630 1.00 0.00 H new ATOM 696 N GLY A 49 -6.319 3.183 -7.989 1.00 0.00 N ATOM 697 CA GLY A 49 -7.370 4.099 -8.395 1.00 0.00 C ATOM 698 C GLY A 49 -8.665 3.867 -7.641 1.00 0.00 C ATOM 699 O GLY A 49 -8.865 4.414 -6.557 1.00 0.00 O ATOM 0 H GLY A 49 -6.285 2.986 -6.989 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.037 5.124 -8.232 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.551 3.989 -9.464 1.00 0.00 H new ATOM 703 N SER A 50 -9.545 3.055 -8.217 1.00 0.00 N ATOM 704 CA SER A 50 -10.827 2.751 -7.593 1.00 0.00 C ATOM 705 C SER A 50 -10.697 1.578 -6.627 1.00 0.00 C ATOM 706 O SER A 50 -9.748 0.798 -6.708 1.00 0.00 O ATOM 707 CB SER A 50 -11.875 2.433 -8.661 1.00 0.00 C ATOM 708 OG SER A 50 -11.588 1.205 -9.307 1.00 0.00 O ATOM 0 H SER A 50 -9.394 2.596 -9.115 1.00 0.00 H new ATOM 0 HA SER A 50 -11.146 3.628 -7.030 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.863 2.384 -8.203 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.904 3.237 -9.397 1.00 0.00 H new ATOM 0 HG SER A 50 -12.273 1.023 -9.984 1.00 0.00 H new ATOM 714 N GLU A 51 -11.655 1.459 -5.714 1.00 0.00 N ATOM 715 CA GLU A 51 -11.645 0.379 -4.734 1.00 0.00 C ATOM 716 C GLU A 51 -13.003 0.250 -4.053 1.00 0.00 C ATOM 717 O GLU A 51 -13.608 -0.821 -4.046 1.00 0.00 O ATOM 718 CB GLU A 51 -10.554 0.621 -3.688 1.00 0.00 C ATOM 719 CG GLU A 51 -9.677 -0.594 -3.433 1.00 0.00 C ATOM 720 CD GLU A 51 -9.149 -0.643 -2.013 1.00 0.00 C ATOM 721 OE1 GLU A 51 -9.913 -1.041 -1.109 1.00 0.00 O ATOM 722 OE2 GLU A 51 -7.972 -0.283 -1.805 1.00 0.00 O ATOM 0 H GLU A 51 -12.447 2.096 -5.632 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.433 -0.553 -5.258 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.926 1.450 -4.015 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.021 0.925 -2.751 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.249 -1.499 -3.636 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.838 -0.585 -4.129 1.00 0.00 H new ATOM 729 N TRP A 52 -13.472 1.351 -3.482 1.00 0.00 N ATOM 730 CA TRP A 52 -14.757 1.368 -2.797 1.00 0.00 C ATOM 731 C TRP A 52 -15.885 1.707 -3.766 1.00 0.00 C ATOM 732 O TRP A 52 -16.739 0.869 -4.058 1.00 0.00 O ATOM 733 CB TRP A 52 -14.734 2.379 -1.648 1.00 0.00 C ATOM 734 CG TRP A 52 -15.436 1.895 -0.418 1.00 0.00 C ATOM 735 CD1 TRP A 52 -14.874 1.644 0.801 1.00 0.00 C ATOM 736 CD2 TRP A 52 -16.831 1.602 -0.285 1.00 0.00 C ATOM 737 NE1 TRP A 52 -15.835 1.213 1.684 1.00 0.00 N ATOM 738 CE2 TRP A 52 -17.045 1.180 1.041 1.00 0.00 C ATOM 739 CE3 TRP A 52 -17.922 1.658 -1.158 1.00 0.00 C ATOM 740 CZ2 TRP A 52 -18.304 0.814 1.512 1.00 0.00 C ATOM 741 CZ3 TRP A 52 -19.169 1.295 -0.689 1.00 0.00 C ATOM 742 CH2 TRP A 52 -19.351 0.878 0.636 1.00 0.00 C ATOM 0 H TRP A 52 -12.981 2.245 -3.480 1.00 0.00 H new ATOM 0 HA TRP A 52 -14.937 0.373 -2.391 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -13.699 2.612 -1.399 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -15.198 3.307 -1.981 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -13.827 1.766 1.037 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -15.674 0.959 2.659 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -17.792 1.979 -2.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -18.447 0.491 2.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -20.018 1.333 -1.355 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -20.339 0.601 0.972 1.00 0.00 H new ATOM 753 N ARG A 53 -15.884 2.940 -4.261 1.00 0.00 N ATOM 754 CA ARG A 53 -16.908 3.388 -5.199 1.00 0.00 C ATOM 755 C ARG A 53 -16.880 2.550 -6.473 1.00 0.00 C ATOM 756 O ARG A 53 -16.007 1.701 -6.651 1.00 0.00 O ATOM 757 CB ARG A 53 -16.704 4.864 -5.542 1.00 0.00 C ATOM 758 CG ARG A 53 -15.337 5.170 -6.134 1.00 0.00 C ATOM 759 CD ARG A 53 -14.472 5.962 -5.167 1.00 0.00 C ATOM 760 NE ARG A 53 -13.315 6.558 -5.831 1.00 0.00 N ATOM 761 CZ ARG A 53 -12.609 7.567 -5.325 1.00 0.00 C ATOM 762 NH1 ARG A 53 -12.937 8.093 -4.151 1.00 0.00 N ATOM 763 NH2 ARG A 53 -11.572 8.050 -5.995 1.00 0.00 N ATOM 0 H ARG A 53 -15.186 3.647 -4.029 1.00 0.00 H new ATOM 0 HA ARG A 53 -17.881 3.264 -4.724 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -17.474 5.174 -6.249 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -16.841 5.460 -4.640 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -14.835 4.238 -6.392 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -15.459 5.733 -7.059 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -15.070 6.748 -4.706 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -14.132 5.307 -4.365 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.032 6.179 -6.735 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.734 7.724 -3.632 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.392 8.866 -3.768 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.316 7.649 -6.897 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.030 8.823 -5.608 1.00 0.00 H new ATOM 777 N THR A 54 -17.843 2.794 -7.356 1.00 0.00 N ATOM 778 CA THR A 54 -17.930 2.064 -8.613 1.00 0.00 C ATOM 779 C THR A 54 -18.647 2.890 -9.675 1.00 0.00 C ATOM 780 O THR A 54 -19.629 3.573 -9.385 1.00 0.00 O ATOM 781 CB THR A 54 -18.657 0.735 -8.407 1.00 0.00 C ATOM 782 OG1 THR A 54 -18.118 0.035 -7.299 1.00 0.00 O ATOM 783 CG2 THR A 54 -18.583 -0.181 -9.609 1.00 0.00 C ATOM 0 H THR A 54 -18.574 3.493 -7.223 1.00 0.00 H new ATOM 0 HA THR A 54 -16.915 1.865 -8.958 1.00 0.00 H new ATOM 0 HB THR A 54 -19.700 1.000 -8.237 1.00 0.00 H new ATOM 0 HG1 THR A 54 -18.597 -0.812 -7.182 1.00 0.00 H new ATOM 0 HG21 THR A 54 -19.119 -1.106 -9.395 1.00 0.00 H new ATOM 0 HG22 THR A 54 -19.037 0.311 -10.470 1.00 0.00 H new ATOM 0 HG23 THR A 54 -17.540 -0.409 -9.829 1.00 0.00 H new ATOM 791 N PHE A 55 -18.149 2.824 -10.906 1.00 0.00 N ATOM 792 CA PHE A 55 -18.742 3.568 -12.010 1.00 0.00 C ATOM 793 C PHE A 55 -19.982 2.855 -12.542 1.00 0.00 C ATOM 794 O PHE A 55 -19.894 2.030 -13.451 1.00 0.00 O ATOM 795 CB PHE A 55 -17.723 3.751 -13.136 1.00 0.00 C ATOM 796 CG PHE A 55 -16.733 4.849 -12.873 1.00 0.00 C ATOM 797 CD1 PHE A 55 -17.165 6.119 -12.524 1.00 0.00 C ATOM 798 CD2 PHE A 55 -15.371 4.613 -12.974 1.00 0.00 C ATOM 799 CE1 PHE A 55 -16.257 7.132 -12.280 1.00 0.00 C ATOM 800 CE2 PHE A 55 -14.459 5.621 -12.732 1.00 0.00 C ATOM 801 CZ PHE A 55 -14.902 6.883 -12.384 1.00 0.00 C ATOM 0 H PHE A 55 -17.337 2.263 -11.163 1.00 0.00 H new ATOM 0 HA PHE A 55 -19.040 4.548 -11.636 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -17.185 2.815 -13.284 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -18.253 3.965 -14.064 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -18.223 6.319 -12.442 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -15.019 3.629 -13.245 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -16.606 8.117 -12.008 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -13.400 5.423 -12.815 1.00 0.00 H new ATOM 0 HZ PHE A 55 -14.190 7.673 -12.194 1.00 0.00 H new ATOM 811 N SER A 56 -21.135 3.181 -11.967 1.00 0.00 N ATOM 812 CA SER A 56 -22.394 2.572 -12.382 1.00 0.00 C ATOM 813 C SER A 56 -23.576 3.241 -11.689 1.00 0.00 C ATOM 814 O SER A 56 -23.445 3.761 -10.581 1.00 0.00 O ATOM 815 CB SER A 56 -22.387 1.074 -12.072 1.00 0.00 C ATOM 816 OG SER A 56 -23.594 0.461 -12.492 1.00 0.00 O ATOM 0 H SER A 56 -21.224 3.863 -11.213 1.00 0.00 H new ATOM 0 HA SER A 56 -22.500 2.713 -13.458 1.00 0.00 H new ATOM 0 HB2 SER A 56 -21.542 0.600 -12.571 1.00 0.00 H new ATOM 0 HB3 SER A 56 -22.251 0.922 -11.001 1.00 0.00 H new ATOM 0 HG SER A 56 -23.564 -0.496 -12.284 1.00 0.00 H new ATOM 822 N ASN A 57 -24.729 3.223 -12.349 1.00 0.00 N ATOM 823 CA ASN A 57 -25.937 3.828 -11.796 1.00 0.00 C ATOM 824 C ASN A 57 -27.120 2.874 -11.910 1.00 0.00 C ATOM 825 O ASN A 57 -28.255 3.300 -12.125 1.00 0.00 O ATOM 826 CB ASN A 57 -26.251 5.140 -12.517 1.00 0.00 C ATOM 827 CG ASN A 57 -27.146 6.049 -11.697 1.00 0.00 C ATOM 828 OD1 ASN A 57 -26.681 7.269 -11.450 1.00 0.00 O flip ATOM 829 ND2 ASN A 57 -28.240 5.661 -11.292 1.00 0.00 N flip ATOM 0 H ASN A 57 -24.853 2.796 -13.267 1.00 0.00 H new ATOM 0 HA ASN A 57 -25.761 4.036 -10.741 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -25.320 5.659 -12.743 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -26.734 4.922 -13.469 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -28.557 4.715 -11.506 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -28.831 6.285 -10.742 1.00 0.00 H new ATOM 836 N ASP A 58 -26.847 1.580 -11.766 1.00 0.00 N ATOM 837 CA ASP A 58 -27.889 0.564 -11.853 1.00 0.00 C ATOM 838 C ASP A 58 -27.883 -0.329 -10.617 1.00 0.00 C ATOM 839 O ASP A 58 -26.902 -1.022 -10.345 1.00 0.00 O ATOM 840 CB ASP A 58 -27.697 -0.285 -13.112 1.00 0.00 C ATOM 841 CG ASP A 58 -28.887 -1.181 -13.391 1.00 0.00 C ATOM 842 OD1 ASP A 58 -29.985 -0.646 -13.652 1.00 0.00 O ATOM 843 OD2 ASP A 58 -28.721 -2.418 -13.349 1.00 0.00 O ATOM 0 H ASP A 58 -25.913 1.211 -11.589 1.00 0.00 H new ATOM 0 HA ASP A 58 -28.853 1.070 -11.907 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -27.531 0.370 -13.967 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -26.802 -0.898 -13.001 1.00 0.00 H new ATOM 848 N LYS A 59 -28.984 -0.308 -9.873 1.00 0.00 N ATOM 849 CA LYS A 59 -29.106 -1.117 -8.665 1.00 0.00 C ATOM 850 C LYS A 59 -30.503 -1.718 -8.554 1.00 0.00 C ATOM 851 O LYS A 59 -30.988 -1.987 -7.454 1.00 0.00 O ATOM 852 CB LYS A 59 -28.799 -0.274 -7.426 1.00 0.00 C ATOM 853 CG LYS A 59 -29.455 1.098 -7.440 1.00 0.00 C ATOM 854 CD LYS A 59 -30.854 1.055 -6.848 1.00 0.00 C ATOM 855 CE LYS A 59 -30.815 0.874 -5.339 1.00 0.00 C ATOM 856 NZ LYS A 59 -32.182 0.827 -4.750 1.00 0.00 N ATOM 857 OXT LYS A 59 -31.260 -1.973 -9.740 1.00 0.00 O ATOM 0 H LYS A 59 -29.804 0.260 -10.085 1.00 0.00 H new ATOM 0 HA LYS A 59 -28.383 -1.931 -8.728 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -29.128 -0.815 -6.539 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -27.719 -0.150 -7.341 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -28.842 1.801 -6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -29.504 1.468 -8.464 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -31.382 1.977 -7.091 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -31.416 0.237 -7.299 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -30.284 -0.047 -5.097 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -30.254 1.693 -4.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -32.112 0.703 -3.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -32.681 1.716 -4.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -32.709 0.030 -5.160 1.00 0.00 H new TER 871 LYS A 59 HETATM 872 ZN ZN A 60 2.434 -15.767 -3.711 1.00 0.00 ZN