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= -0.0405 USER MOD Single : A 5 SER OG : rot 19:sc= 0.35 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.286 K(o=-0.29,f=-2!) 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 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0918 K(o=-0.092,f=-2.1!) USER MOD Single : A 59 LYS NZ :NH3+ -147:sc= -0.161 (180deg=-1.03) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -24.289 -8.387 8.504 1.00 0.00 N ATOM 2 CA ALA A 2 -25.114 -7.364 9.197 1.00 0.00 C ATOM 3 C ALA A 2 -24.523 -5.970 9.016 1.00 0.00 C ATOM 4 O ALA A 2 -24.654 -5.111 9.888 1.00 0.00 O ATOM 5 CB ALA A 2 -25.232 -7.697 10.677 1.00 0.00 C ATOM 0 HA ALA A 2 -26.109 -7.372 8.751 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -25.839 -6.940 11.173 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -25.703 -8.673 10.794 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -24.239 -7.717 11.126 1.00 0.00 H new ATOM 13 N SER A 3 -23.872 -5.752 7.878 1.00 0.00 N ATOM 14 CA SER A 3 -23.261 -4.462 7.582 1.00 0.00 C ATOM 15 C SER A 3 -24.148 -3.640 6.650 1.00 0.00 C ATOM 16 O SER A 3 -24.805 -2.693 7.079 1.00 0.00 O ATOM 17 CB SER A 3 -21.882 -4.660 6.951 1.00 0.00 C ATOM 18 OG SER A 3 -20.864 -4.663 7.937 1.00 0.00 O ATOM 0 H SER A 3 -23.754 -6.452 7.146 1.00 0.00 H new ATOM 0 HA SER A 3 -23.148 -3.918 8.520 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.862 -5.601 6.401 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.691 -3.865 6.230 1.00 0.00 H new ATOM 0 HG SER A 3 -19.993 -4.793 7.507 1.00 0.00 H new ATOM 24 N THR A 4 -24.159 -4.012 5.374 1.00 0.00 N ATOM 25 CA THR A 4 -24.964 -3.311 4.379 1.00 0.00 C ATOM 26 C THR A 4 -24.510 -1.862 4.233 1.00 0.00 C ATOM 27 O THR A 4 -24.523 -1.097 5.197 1.00 0.00 O ATOM 28 CB THR A 4 -26.444 -3.357 4.764 1.00 0.00 C ATOM 29 OG1 THR A 4 -26.750 -4.566 5.437 1.00 0.00 O ATOM 30 CG2 THR A 4 -27.375 -3.245 3.576 1.00 0.00 C ATOM 0 H THR A 4 -23.620 -4.795 5.004 1.00 0.00 H new ATOM 0 HA THR A 4 -24.829 -3.813 3.421 1.00 0.00 H new ATOM 0 HB THR A 4 -26.601 -2.494 5.411 1.00 0.00 H new ATOM 0 HG1 THR A 4 -27.700 -4.576 5.676 1.00 0.00 H new ATOM 0 HG21 THR A 4 -28.409 -3.284 3.919 1.00 0.00 H new ATOM 0 HG22 THR A 4 -27.199 -2.299 3.063 1.00 0.00 H new ATOM 0 HG23 THR A 4 -27.189 -4.070 2.889 1.00 0.00 H new ATOM 38 N SER A 5 -24.110 -1.493 3.021 1.00 0.00 N ATOM 39 CA SER A 5 -23.652 -0.135 2.749 1.00 0.00 C ATOM 40 C SER A 5 -23.924 0.248 1.298 1.00 0.00 C ATOM 41 O SER A 5 -24.304 -0.593 0.483 1.00 0.00 O ATOM 42 CB SER A 5 -22.157 -0.009 3.050 1.00 0.00 C ATOM 43 OG SER A 5 -21.929 0.155 4.439 1.00 0.00 O ATOM 0 H SER A 5 -24.094 -2.114 2.212 1.00 0.00 H new ATOM 0 HA SER A 5 -24.204 0.546 3.397 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.635 -0.898 2.695 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.744 0.841 2.507 1.00 0.00 H new ATOM 0 HG SER A 5 -22.719 -0.142 4.937 1.00 0.00 H new ATOM 49 N ARG A 6 -23.728 1.524 0.982 1.00 0.00 N ATOM 50 CA ARG A 6 -23.953 2.020 -0.370 1.00 0.00 C ATOM 51 C ARG A 6 -22.708 1.833 -1.233 1.00 0.00 C ATOM 52 O ARG A 6 -21.596 1.716 -0.717 1.00 0.00 O ATOM 53 CB ARG A 6 -24.347 3.499 -0.335 1.00 0.00 C ATOM 54 CG ARG A 6 -25.519 3.839 -1.241 1.00 0.00 C ATOM 55 CD ARG A 6 -25.831 5.327 -1.219 1.00 0.00 C ATOM 56 NE ARG A 6 -27.116 5.607 -0.583 1.00 0.00 N ATOM 57 CZ ARG A 6 -28.291 5.252 -1.097 1.00 0.00 C ATOM 58 NH1 ARG A 6 -28.349 4.603 -2.253 1.00 0.00 N ATOM 59 NH2 ARG A 6 -29.412 5.546 -0.453 1.00 0.00 N ATOM 0 H ARG A 6 -23.414 2.233 1.644 1.00 0.00 H new ATOM 0 HA ARG A 6 -24.768 1.445 -0.810 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -24.598 3.775 0.689 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -23.487 4.102 -0.626 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -25.293 3.529 -2.261 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -26.398 3.278 -0.925 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -25.040 5.855 -0.687 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -25.840 5.711 -2.239 1.00 0.00 H new ATOM 0 HE ARG A 6 -27.112 6.104 0.308 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -27.490 4.374 -2.753 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -29.253 4.334 -2.642 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -29.374 6.044 0.436 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -30.313 5.274 -0.847 1.00 0.00 H new ATOM 73 N LEU A 7 -22.904 1.803 -2.547 1.00 0.00 N ATOM 74 CA LEU A 7 -21.796 1.628 -3.480 1.00 0.00 C ATOM 75 C LEU A 7 -21.091 0.295 -3.245 1.00 0.00 C ATOM 76 O LEU A 7 -21.221 -0.308 -2.180 1.00 0.00 O ATOM 77 CB LEU A 7 -20.798 2.780 -3.340 1.00 0.00 C ATOM 78 CG LEU A 7 -20.988 3.925 -4.337 1.00 0.00 C ATOM 79 CD1 LEU A 7 -22.233 4.730 -3.995 1.00 0.00 C ATOM 80 CD2 LEU A 7 -19.760 4.823 -4.355 1.00 0.00 C ATOM 0 H LEU A 7 -23.818 1.897 -2.990 1.00 0.00 H new ATOM 0 HA LEU A 7 -22.201 1.629 -4.492 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -20.870 3.182 -2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -19.789 2.383 -3.454 1.00 0.00 H new ATOM 0 HG LEU A 7 -21.118 3.498 -5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -22.352 5.540 -4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -23.108 4.081 -4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -22.133 5.147 -2.993 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -19.912 5.632 -5.069 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -19.601 5.241 -3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -18.887 4.240 -4.648 1.00 0.00 H new ATOM 92 N ASP A 8 -20.344 -0.158 -4.247 1.00 0.00 N ATOM 93 CA ASP A 8 -19.618 -1.419 -4.149 1.00 0.00 C ATOM 94 C ASP A 8 -18.123 -1.205 -4.364 1.00 0.00 C ATOM 95 O ASP A 8 -17.713 -0.520 -5.301 1.00 0.00 O ATOM 96 CB ASP A 8 -20.155 -2.421 -5.173 1.00 0.00 C ATOM 97 CG ASP A 8 -21.219 -3.330 -4.590 1.00 0.00 C ATOM 98 OD1 ASP A 8 -20.853 -4.344 -3.960 1.00 0.00 O ATOM 99 OD2 ASP A 8 -22.418 -3.026 -4.761 1.00 0.00 O ATOM 0 H ASP A 8 -20.226 0.329 -5.135 1.00 0.00 H new ATOM 0 HA ASP A 8 -19.768 -1.819 -3.146 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -20.570 -1.880 -6.024 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -19.331 -3.026 -5.551 1.00 0.00 H new ATOM 104 N ALA A 9 -17.314 -1.794 -3.489 1.00 0.00 N ATOM 105 CA ALA A 9 -15.865 -1.667 -3.582 1.00 0.00 C ATOM 106 C ALA A 9 -15.166 -2.722 -2.731 1.00 0.00 C ATOM 107 O ALA A 9 -15.627 -3.059 -1.641 1.00 0.00 O ATOM 108 CB ALA A 9 -15.429 -0.273 -3.160 1.00 0.00 C ATOM 0 H ALA A 9 -17.638 -2.364 -2.708 1.00 0.00 H new ATOM 0 HA ALA A 9 -15.577 -1.826 -4.621 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -14.345 -0.193 -3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -15.893 0.467 -3.812 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -15.736 -0.092 -2.130 1.00 0.00 H new ATOM 114 N LEU A 10 -14.051 -3.240 -3.238 1.00 0.00 N ATOM 115 CA LEU A 10 -13.288 -4.257 -2.524 1.00 0.00 C ATOM 116 C LEU A 10 -11.802 -4.164 -2.871 1.00 0.00 C ATOM 117 O LEU A 10 -11.422 -4.297 -4.034 1.00 0.00 O ATOM 118 CB LEU A 10 -13.817 -5.651 -2.864 1.00 0.00 C ATOM 119 CG LEU A 10 -14.014 -5.923 -4.357 1.00 0.00 C ATOM 120 CD1 LEU A 10 -14.041 -7.418 -4.628 1.00 0.00 C ATOM 121 CD2 LEU A 10 -15.293 -5.265 -4.853 1.00 0.00 C ATOM 0 H LEU A 10 -13.657 -2.972 -4.140 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.405 -4.082 -1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -13.126 -6.393 -2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.770 -5.795 -2.355 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.173 -5.492 -4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -14.182 -7.592 -5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -13.098 -7.863 -4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -14.862 -7.873 -4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -15.418 -5.468 -5.917 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -16.145 -5.666 -4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -15.234 -4.188 -4.694 1.00 0.00 H new ATOM 133 N PRO A 11 -10.936 -3.935 -1.865 1.00 0.00 N ATOM 134 CA PRO A 11 -9.489 -3.829 -2.083 1.00 0.00 C ATOM 135 C PRO A 11 -8.869 -5.156 -2.503 1.00 0.00 C ATOM 136 O PRO A 11 -8.670 -6.049 -1.679 1.00 0.00 O ATOM 137 CB PRO A 11 -8.951 -3.395 -0.717 1.00 0.00 C ATOM 138 CG PRO A 11 -9.971 -3.864 0.261 1.00 0.00 C ATOM 139 CD PRO A 11 -11.294 -3.764 -0.444 1.00 0.00 C ATOM 0 HA PRO A 11 -9.249 -3.135 -2.888 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.977 -3.840 -0.516 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.824 -2.314 -0.668 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.771 -4.889 0.573 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.961 -3.249 1.161 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -11.988 -4.535 -0.109 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -11.774 -2.802 -0.263 1.00 0.00 H new ATOM 147 N ARG A 12 -8.565 -5.280 -3.791 1.00 0.00 N ATOM 148 CA ARG A 12 -7.967 -6.500 -4.321 1.00 0.00 C ATOM 149 C ARG A 12 -6.516 -6.637 -3.872 1.00 0.00 C ATOM 150 O ARG A 12 -5.628 -5.959 -4.390 1.00 0.00 O ATOM 151 CB ARG A 12 -8.043 -6.507 -5.849 1.00 0.00 C ATOM 152 CG ARG A 12 -9.447 -6.283 -6.390 1.00 0.00 C ATOM 153 CD ARG A 12 -9.896 -7.433 -7.278 1.00 0.00 C ATOM 154 NE ARG A 12 -11.345 -7.616 -7.245 1.00 0.00 N ATOM 155 CZ ARG A 12 -12.206 -6.838 -7.896 1.00 0.00 C ATOM 156 NH1 ARG A 12 -11.768 -5.824 -8.633 1.00 0.00 N ATOM 157 NH2 ARG A 12 -13.508 -7.074 -7.811 1.00 0.00 N ATOM 0 H ARG A 12 -8.723 -4.551 -4.487 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.529 -7.349 -3.931 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.384 -5.732 -6.241 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.668 -7.461 -6.219 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.144 -6.171 -5.559 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.475 -5.353 -6.957 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.578 -7.245 -8.303 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.407 -8.352 -6.956 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.719 -8.386 -6.690 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.767 -5.639 -8.702 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.432 -5.231 -9.130 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.850 -7.852 -7.247 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.168 -6.478 -8.310 1.00 0.00 H new ATOM 171 N VAL A 13 -6.283 -7.518 -2.905 1.00 0.00 N ATOM 172 CA VAL A 13 -4.940 -7.747 -2.384 1.00 0.00 C ATOM 173 C VAL A 13 -4.587 -9.230 -2.417 1.00 0.00 C ATOM 174 O VAL A 13 -4.831 -9.958 -1.454 1.00 0.00 O ATOM 175 CB VAL A 13 -4.802 -7.230 -0.940 1.00 0.00 C ATOM 176 CG1 VAL A 13 -3.352 -7.296 -0.484 1.00 0.00 C ATOM 177 CG2 VAL A 13 -5.341 -5.812 -0.826 1.00 0.00 C ATOM 0 H VAL A 13 -7.008 -8.086 -2.466 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.252 -7.196 -3.025 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.393 -7.872 -0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.275 -6.926 0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.005 -8.328 -0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.736 -6.680 -1.140 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.235 -5.464 0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.781 -5.155 -1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.394 -5.799 -1.106 1.00 0.00 H new ATOM 187 N THR A 14 -4.014 -9.673 -3.531 1.00 0.00 N ATOM 188 CA THR A 14 -3.631 -11.071 -3.688 1.00 0.00 C ATOM 189 C THR A 14 -2.260 -11.196 -4.348 1.00 0.00 C ATOM 190 O THR A 14 -1.595 -10.197 -4.619 1.00 0.00 O ATOM 191 CB THR A 14 -4.677 -11.816 -4.518 1.00 0.00 C ATOM 192 OG1 THR A 14 -5.308 -10.939 -5.435 1.00 0.00 O ATOM 193 CG2 THR A 14 -5.760 -12.459 -3.679 1.00 0.00 C ATOM 0 H THR A 14 -3.805 -9.085 -4.338 1.00 0.00 H new ATOM 0 HA THR A 14 -3.575 -11.517 -2.695 1.00 0.00 H new ATOM 0 HB THR A 14 -4.127 -12.601 -5.037 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.972 -11.435 -5.958 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.469 -12.971 -4.330 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.311 -13.179 -2.995 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.281 -11.691 -3.107 1.00 0.00 H new ATOM 201 N CYS A 15 -1.848 -12.433 -4.601 1.00 0.00 N ATOM 202 CA CYS A 15 -0.559 -12.702 -5.229 1.00 0.00 C ATOM 203 C CYS A 15 -0.726 -12.912 -6.734 1.00 0.00 C ATOM 204 O CYS A 15 -1.670 -13.570 -7.174 1.00 0.00 O ATOM 205 CB CYS A 15 0.078 -13.937 -4.589 1.00 0.00 C ATOM 206 SG CYS A 15 1.655 -14.441 -5.322 1.00 0.00 S ATOM 0 H CYS A 15 -2.390 -13.268 -4.380 1.00 0.00 H new ATOM 0 HA CYS A 15 0.093 -11.842 -5.076 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.232 -13.741 -3.528 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.623 -14.769 -4.661 1.00 0.00 H new ATOM 211 N PRO A 16 0.185 -12.351 -7.549 1.00 0.00 N ATOM 212 CA PRO A 16 0.122 -12.478 -9.012 1.00 0.00 C ATOM 213 C PRO A 16 0.109 -13.931 -9.478 1.00 0.00 C ATOM 214 O PRO A 16 -0.488 -14.256 -10.504 1.00 0.00 O ATOM 215 CB PRO A 16 1.398 -11.779 -9.492 1.00 0.00 C ATOM 216 CG PRO A 16 1.777 -10.862 -8.382 1.00 0.00 C ATOM 217 CD PRO A 16 1.340 -11.543 -7.117 1.00 0.00 C ATOM 0 HA PRO A 16 -0.795 -12.045 -9.410 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.190 -12.500 -9.696 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.222 -11.228 -10.416 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.852 -10.680 -8.376 1.00 0.00 H new ATOM 0 HG3 PRO A 16 1.290 -9.893 -8.492 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.133 -12.165 -6.700 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.062 -10.823 -6.348 1.00 0.00 H new ATOM 225 N ASN A 17 0.776 -14.796 -8.726 1.00 0.00 N ATOM 226 CA ASN A 17 0.847 -16.213 -9.072 1.00 0.00 C ATOM 227 C ASN A 17 0.104 -17.084 -8.058 1.00 0.00 C ATOM 228 O ASN A 17 -0.045 -18.290 -8.261 1.00 0.00 O ATOM 229 CB ASN A 17 2.309 -16.659 -9.168 1.00 0.00 C ATOM 230 CG ASN A 17 2.728 -16.965 -10.592 1.00 0.00 C ATOM 231 OD1 ASN A 17 1.895 -17.270 -11.445 1.00 0.00 O ATOM 232 ND2 ASN A 17 4.027 -16.886 -10.856 1.00 0.00 N ATOM 0 H ASN A 17 1.276 -14.544 -7.873 1.00 0.00 H new ATOM 0 HA ASN A 17 0.361 -16.340 -10.040 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.952 -15.877 -8.763 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.457 -17.545 -8.550 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.369 -17.082 -11.797 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.683 -16.629 -10.118 1.00 0.00 H new ATOM 239 N HIS A 18 -0.361 -16.479 -6.968 1.00 0.00 N ATOM 240 CA HIS A 18 -1.083 -17.220 -5.939 1.00 0.00 C ATOM 241 C HIS A 18 -2.413 -16.549 -5.608 1.00 0.00 C ATOM 242 O HIS A 18 -2.536 -15.859 -4.595 1.00 0.00 O ATOM 243 CB HIS A 18 -0.232 -17.351 -4.674 1.00 0.00 C ATOM 244 CG HIS A 18 0.976 -18.209 -4.856 1.00 0.00 C ATOM 245 ND1 HIS A 18 2.240 -17.748 -4.559 1.00 0.00 N ATOM 246 CD2 HIS A 18 1.058 -19.483 -5.308 1.00 0.00 C ATOM 247 CE1 HIS A 18 3.053 -18.758 -4.839 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.381 -19.824 -5.294 1.00 0.00 N ATOM 0 H HIS A 18 -0.251 -15.483 -6.775 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.290 -18.216 -6.330 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.082 -16.358 -4.353 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.845 -17.766 -3.874 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.235 -20.109 -5.620 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.125 -18.725 -4.715 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.781 -20.719 -5.576 1.00 0.00 H new ATOM 256 N PRO A 19 -3.433 -16.748 -6.461 1.00 0.00 N ATOM 257 CA PRO A 19 -4.761 -16.164 -6.250 1.00 0.00 C ATOM 258 C PRO A 19 -5.471 -16.765 -5.041 1.00 0.00 C ATOM 259 O PRO A 19 -6.365 -16.147 -4.463 1.00 0.00 O ATOM 260 CB PRO A 19 -5.514 -16.508 -7.538 1.00 0.00 C ATOM 261 CG PRO A 19 -4.820 -17.713 -8.073 1.00 0.00 C ATOM 262 CD PRO A 19 -3.375 -17.562 -7.689 1.00 0.00 C ATOM 0 HA PRO A 19 -4.707 -15.094 -6.047 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.566 -16.713 -7.339 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.479 -15.683 -8.249 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.242 -18.626 -7.652 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.931 -17.779 -9.155 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.904 -18.528 -7.509 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.800 -17.068 -8.472 1.00 0.00 H new ATOM 270 N ASP A 20 -5.068 -17.975 -4.666 1.00 0.00 N ATOM 271 CA ASP A 20 -5.664 -18.661 -3.526 1.00 0.00 C ATOM 272 C ASP A 20 -4.968 -18.268 -2.227 1.00 0.00 C ATOM 273 O ASP A 20 -5.587 -18.239 -1.164 1.00 0.00 O ATOM 274 CB ASP A 20 -5.591 -20.177 -3.720 1.00 0.00 C ATOM 275 CG ASP A 20 -6.828 -20.885 -3.204 1.00 0.00 C ATOM 276 OD1 ASP A 20 -7.271 -20.565 -2.081 1.00 0.00 O ATOM 277 OD2 ASP A 20 -7.353 -21.761 -3.923 1.00 0.00 O ATOM 0 H ASP A 20 -4.331 -18.501 -5.136 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.710 -18.360 -3.461 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.464 -20.399 -4.779 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.712 -20.565 -3.205 1.00 0.00 H new ATOM 282 N ALA A 21 -3.676 -17.966 -2.320 1.00 0.00 N ATOM 283 CA ALA A 21 -2.899 -17.576 -1.151 1.00 0.00 C ATOM 284 C ALA A 21 -3.469 -16.312 -0.516 1.00 0.00 C ATOM 285 O ALA A 21 -4.533 -15.835 -0.909 1.00 0.00 O ATOM 286 CB ALA A 21 -1.441 -17.368 -1.530 1.00 0.00 C ATOM 0 H ALA A 21 -3.147 -17.984 -3.192 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.959 -18.381 -0.418 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.873 -17.077 -0.646 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.034 -18.295 -1.934 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.369 -16.582 -2.282 1.00 0.00 H new ATOM 292 N ILE A 22 -2.757 -15.775 0.468 1.00 0.00 N ATOM 293 CA ILE A 22 -3.197 -14.568 1.155 1.00 0.00 C ATOM 294 C ILE A 22 -2.031 -13.618 1.406 1.00 0.00 C ATOM 295 O ILE A 22 -1.350 -13.713 2.426 1.00 0.00 O ATOM 296 CB ILE A 22 -3.870 -14.902 2.501 1.00 0.00 C ATOM 297 CG1 ILE A 22 -4.902 -16.017 2.319 1.00 0.00 C ATOM 298 CG2 ILE A 22 -4.524 -13.661 3.090 1.00 0.00 C ATOM 299 CD1 ILE A 22 -4.355 -17.400 2.602 1.00 0.00 C ATOM 0 H ILE A 22 -1.874 -16.156 0.807 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.923 -14.082 0.503 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.105 -15.250 3.195 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.749 -15.828 2.979 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.281 -15.987 1.297 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.995 -13.914 4.040 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.767 -12.893 3.253 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.279 -13.285 2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.141 -18.140 2.453 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.527 -17.609 1.925 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.002 -17.448 3.632 1.00 0.00 H new ATOM 311 N LEU A 23 -1.810 -12.701 0.468 1.00 0.00 N ATOM 312 CA LEU A 23 -0.729 -11.727 0.586 1.00 0.00 C ATOM 313 C LEU A 23 -0.956 -10.818 1.792 1.00 0.00 C ATOM 314 O LEU A 23 -1.412 -9.684 1.650 1.00 0.00 O ATOM 315 CB LEU A 23 -0.636 -10.885 -0.688 1.00 0.00 C ATOM 316 CG LEU A 23 0.768 -10.371 -1.024 1.00 0.00 C ATOM 317 CD1 LEU A 23 1.297 -11.036 -2.285 1.00 0.00 C ATOM 318 CD2 LEU A 23 0.761 -8.857 -1.181 1.00 0.00 C ATOM 0 H LEU A 23 -2.366 -12.612 -0.383 1.00 0.00 H new ATOM 0 HA LEU A 23 0.207 -12.268 0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.999 -11.480 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.306 -10.030 -0.590 1.00 0.00 H new ATOM 0 HG LEU A 23 1.431 -10.628 -0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.295 -10.657 -2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.344 -12.115 -2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.632 -10.814 -3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.767 -8.511 -1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.081 -8.578 -1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.430 -8.396 -0.250 1.00 0.00 H new ATOM 330 N VAL A 24 -0.637 -11.328 2.979 1.00 0.00 N ATOM 331 CA VAL A 24 -0.808 -10.570 4.217 1.00 0.00 C ATOM 332 C VAL A 24 -0.264 -9.150 4.082 1.00 0.00 C ATOM 333 O VAL A 24 0.546 -8.867 3.199 1.00 0.00 O ATOM 334 CB VAL A 24 -0.108 -11.262 5.402 1.00 0.00 C ATOM 335 CG1 VAL A 24 -0.494 -10.599 6.715 1.00 0.00 C ATOM 336 CG2 VAL A 24 -0.441 -12.747 5.430 1.00 0.00 C ATOM 0 H VAL A 24 -0.258 -12.266 3.110 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.880 -10.527 4.409 1.00 0.00 H new ATOM 0 HB VAL A 24 0.969 -11.157 5.271 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.011 -11.103 7.539 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.197 -9.550 6.694 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.573 -10.668 6.854 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.063 -13.217 6.274 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.518 -12.876 5.533 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.107 -13.212 4.503 1.00 0.00 H new ATOM 346 N GLU A 25 -0.716 -8.263 4.962 1.00 0.00 N ATOM 347 CA GLU A 25 -0.275 -6.873 4.943 1.00 0.00 C ATOM 348 C GLU A 25 0.217 -6.440 6.321 1.00 0.00 C ATOM 349 O GLU A 25 -0.561 -6.356 7.270 1.00 0.00 O ATOM 350 CB GLU A 25 -1.415 -5.960 4.487 1.00 0.00 C ATOM 351 CG GLU A 25 -2.186 -6.500 3.293 1.00 0.00 C ATOM 352 CD GLU A 25 -3.507 -5.786 3.080 1.00 0.00 C ATOM 353 OE1 GLU A 25 -4.484 -6.125 3.780 1.00 0.00 O ATOM 354 OE2 GLU A 25 -3.564 -4.889 2.213 1.00 0.00 O ATOM 0 H GLU A 25 -1.388 -8.482 5.698 1.00 0.00 H new ATOM 0 HA GLU A 25 0.552 -6.790 4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.105 -5.812 5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.007 -4.982 4.233 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.575 -6.401 2.396 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.372 -7.564 3.436 1.00 0.00 H new ATOM 361 N ASP A 26 1.514 -6.168 6.421 1.00 0.00 N ATOM 362 CA ASP A 26 2.110 -5.746 7.684 1.00 0.00 C ATOM 363 C ASP A 26 2.235 -4.226 7.746 1.00 0.00 C ATOM 364 O ASP A 26 2.025 -3.535 6.750 1.00 0.00 O ATOM 365 CB ASP A 26 3.487 -6.390 7.862 1.00 0.00 C ATOM 366 CG ASP A 26 3.429 -7.658 8.691 1.00 0.00 C ATOM 367 OD1 ASP A 26 2.911 -7.601 9.826 1.00 0.00 O ATOM 368 OD2 ASP A 26 3.900 -8.707 8.205 1.00 0.00 O ATOM 0 H ASP A 26 2.172 -6.232 5.644 1.00 0.00 H new ATOM 0 HA ASP A 26 1.456 -6.072 8.493 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.908 -6.618 6.883 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.159 -5.677 8.340 1.00 0.00 H new ATOM 373 N TYR A 27 2.578 -3.714 8.924 1.00 0.00 N ATOM 374 CA TYR A 27 2.732 -2.278 9.118 1.00 0.00 C ATOM 375 C TYR A 27 4.194 -1.863 8.988 1.00 0.00 C ATOM 376 O TYR A 27 4.563 -1.132 8.069 1.00 0.00 O ATOM 377 CB TYR A 27 2.193 -1.867 10.489 1.00 0.00 C ATOM 378 CG TYR A 27 1.909 -0.387 10.610 1.00 0.00 C ATOM 379 CD1 TYR A 27 2.919 0.509 10.937 1.00 0.00 C ATOM 380 CD2 TYR A 27 0.631 0.114 10.398 1.00 0.00 C ATOM 381 CE1 TYR A 27 2.663 1.863 11.050 1.00 0.00 C ATOM 382 CE2 TYR A 27 0.368 1.466 10.507 1.00 0.00 C ATOM 383 CZ TYR A 27 1.386 2.336 10.833 1.00 0.00 C ATOM 384 OH TYR A 27 1.128 3.683 10.943 1.00 0.00 O ATOM 0 H TYR A 27 2.754 -4.273 9.759 1.00 0.00 H new ATOM 0 HA TYR A 27 2.160 -1.769 8.342 1.00 0.00 H new ATOM 0 HB2 TYR A 27 1.277 -2.422 10.691 1.00 0.00 H new ATOM 0 HB3 TYR A 27 2.914 -2.154 11.254 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.921 0.142 11.106 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -0.170 -0.564 10.144 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.459 2.546 11.307 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.631 1.839 10.337 1.00 0.00 H new ATOM 0 HH TYR A 27 0.180 3.851 10.758 1.00 0.00 H new ATOM 394 N ARG A 28 5.023 -2.333 9.914 1.00 0.00 N ATOM 395 CA ARG A 28 6.446 -2.010 9.904 1.00 0.00 C ATOM 396 C ARG A 28 7.298 -3.268 9.973 1.00 0.00 C ATOM 397 O ARG A 28 8.474 -3.223 10.338 1.00 0.00 O ATOM 398 CB ARG A 28 6.782 -1.102 11.078 1.00 0.00 C ATOM 399 CG ARG A 28 7.910 -0.124 10.792 1.00 0.00 C ATOM 400 CD ARG A 28 7.421 1.075 9.996 1.00 0.00 C ATOM 401 NE ARG A 28 8.516 1.773 9.329 1.00 0.00 N ATOM 402 CZ ARG A 28 9.085 1.354 8.200 1.00 0.00 C ATOM 403 NH1 ARG A 28 8.667 0.240 7.612 1.00 0.00 N ATOM 404 NH2 ARG A 28 10.076 2.050 7.659 1.00 0.00 N ATOM 0 H ARG A 28 4.734 -2.939 10.682 1.00 0.00 H new ATOM 0 HA ARG A 28 6.667 -1.497 8.968 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.890 -0.542 11.359 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.055 -1.717 11.935 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.345 0.215 11.732 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.701 -0.631 10.239 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.695 0.745 9.253 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.903 1.765 10.662 1.00 0.00 H new ATOM 0 HE ARG A 28 8.866 2.632 9.753 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.906 -0.300 8.025 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.106 -0.076 6.747 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.402 2.906 8.108 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.512 1.729 6.794 1.00 0.00 H new ATOM 418 N ALA A 29 6.693 -4.384 9.619 1.00 0.00 N ATOM 419 CA ALA A 29 7.377 -5.671 9.632 1.00 0.00 C ATOM 420 C ALA A 29 8.077 -5.934 8.304 1.00 0.00 C ATOM 421 O ALA A 29 9.128 -6.574 8.260 1.00 0.00 O ATOM 422 CB ALA A 29 6.393 -6.789 9.945 1.00 0.00 C ATOM 0 H ALA A 29 5.720 -4.430 9.315 1.00 0.00 H new ATOM 0 HA ALA A 29 8.137 -5.643 10.413 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.918 -7.744 9.951 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.944 -6.615 10.923 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.612 -6.809 9.185 1.00 0.00 H new ATOM 428 N GLY A 30 7.488 -5.437 7.221 1.00 0.00 N ATOM 429 CA GLY A 30 8.069 -5.629 5.906 1.00 0.00 C ATOM 430 C GLY A 30 7.030 -5.607 4.802 1.00 0.00 C ATOM 431 O GLY A 30 7.062 -6.437 3.893 1.00 0.00 O ATOM 0 H GLY A 30 6.618 -4.904 7.231 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.807 -4.848 5.721 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.599 -6.581 5.882 1.00 0.00 H new ATOM 435 N ASP A 31 6.105 -4.654 4.879 1.00 0.00 N ATOM 436 CA ASP A 31 5.052 -4.527 3.879 1.00 0.00 C ATOM 437 C ASP A 31 4.251 -5.824 3.763 1.00 0.00 C ATOM 438 O ASP A 31 4.254 -6.646 4.679 1.00 0.00 O ATOM 439 CB ASP A 31 5.654 -4.147 2.524 1.00 0.00 C ATOM 440 CG ASP A 31 4.977 -2.937 1.912 1.00 0.00 C ATOM 441 OD1 ASP A 31 3.763 -3.016 1.629 1.00 0.00 O ATOM 442 OD2 ASP A 31 5.660 -1.909 1.717 1.00 0.00 O ATOM 0 H ASP A 31 6.064 -3.959 5.624 1.00 0.00 H new ATOM 0 HA ASP A 31 4.371 -3.737 4.195 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.718 -3.942 2.646 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.569 -4.992 1.841 1.00 0.00 H new ATOM 447 N MET A 32 3.564 -6.004 2.637 1.00 0.00 N ATOM 448 CA MET A 32 2.762 -7.204 2.419 1.00 0.00 C ATOM 449 C MET A 32 3.652 -8.417 2.169 1.00 0.00 C ATOM 450 O MET A 32 4.814 -8.276 1.788 1.00 0.00 O ATOM 451 CB MET A 32 1.810 -7.002 1.239 1.00 0.00 C ATOM 452 CG MET A 32 0.791 -5.896 1.460 1.00 0.00 C ATOM 453 SD MET A 32 1.289 -4.334 0.710 1.00 0.00 S ATOM 454 CE MET A 32 -0.101 -4.022 -0.375 1.00 0.00 C ATOM 0 H MET A 32 3.547 -5.337 1.865 1.00 0.00 H new ATOM 0 HA MET A 32 2.177 -7.386 3.320 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.394 -6.774 0.347 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.283 -7.936 1.044 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.169 -6.204 1.046 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.645 -5.750 2.530 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.059 -3.087 -0.911 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.195 -4.839 -1.091 1.00 0.00 H new ATOM 0 HE3 MET A 32 -1.014 -3.950 0.215 1.00 0.00 H new ATOM 464 N ILE A 33 3.100 -9.607 2.389 1.00 0.00 N ATOM 465 CA ILE A 33 3.849 -10.843 2.189 1.00 0.00 C ATOM 466 C ILE A 33 2.920 -12.002 1.835 1.00 0.00 C ATOM 467 O ILE A 33 1.853 -12.155 2.429 1.00 0.00 O ATOM 468 CB ILE A 33 4.664 -11.205 3.449 1.00 0.00 C ATOM 469 CG1 ILE A 33 5.507 -12.467 3.209 1.00 0.00 C ATOM 470 CG2 ILE A 33 3.741 -11.380 4.649 1.00 0.00 C ATOM 471 CD1 ILE A 33 4.755 -13.769 3.404 1.00 0.00 C ATOM 0 H ILE A 33 2.139 -9.741 2.705 1.00 0.00 H new ATOM 0 HA ILE A 33 4.533 -10.674 1.358 1.00 0.00 H new ATOM 0 HB ILE A 33 5.348 -10.384 3.665 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.901 -12.438 2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.363 -12.451 3.884 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.332 -11.635 5.529 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.201 -10.451 4.831 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.029 -12.180 4.446 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.425 -14.608 3.215 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.384 -13.825 4.427 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.915 -13.811 2.710 1.00 0.00 H new ATOM 483 N CYS A 34 3.330 -12.821 0.867 1.00 0.00 N ATOM 484 CA CYS A 34 2.525 -13.964 0.445 1.00 0.00 C ATOM 485 C CYS A 34 3.003 -15.243 1.135 1.00 0.00 C ATOM 486 O CYS A 34 4.116 -15.701 0.893 1.00 0.00 O ATOM 487 CB CYS A 34 2.603 -14.117 -1.077 1.00 0.00 C ATOM 488 SG CYS A 34 1.828 -15.613 -1.745 1.00 0.00 S ATOM 0 H CYS A 34 4.210 -12.714 0.363 1.00 0.00 H new ATOM 0 HA CYS A 34 1.488 -13.790 0.733 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.134 -13.248 -1.538 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.652 -14.108 -1.373 1.00 0.00 H new ATOM 493 N PRO A 35 2.170 -15.841 2.008 1.00 0.00 N ATOM 494 CA PRO A 35 2.534 -17.068 2.724 1.00 0.00 C ATOM 495 C PRO A 35 2.954 -18.189 1.777 1.00 0.00 C ATOM 496 O PRO A 35 3.641 -19.127 2.178 1.00 0.00 O ATOM 497 CB PRO A 35 1.254 -17.453 3.479 1.00 0.00 C ATOM 498 CG PRO A 35 0.166 -16.635 2.867 1.00 0.00 C ATOM 499 CD PRO A 35 0.821 -15.381 2.367 1.00 0.00 C ATOM 0 HA PRO A 35 3.391 -16.910 3.379 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.046 -18.518 3.380 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.349 -17.244 4.545 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.316 -17.175 2.052 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.608 -16.405 3.599 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.294 -14.964 1.509 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.848 -14.606 3.133 1.00 0.00 H new ATOM 507 N GLU A 36 2.534 -18.086 0.520 1.00 0.00 N ATOM 508 CA GLU A 36 2.864 -19.092 -0.481 1.00 0.00 C ATOM 509 C GLU A 36 4.308 -18.941 -0.964 1.00 0.00 C ATOM 510 O GLU A 36 5.193 -19.676 -0.523 1.00 0.00 O ATOM 511 CB GLU A 36 1.895 -18.998 -1.660 1.00 0.00 C ATOM 512 CG GLU A 36 1.094 -20.268 -1.894 1.00 0.00 C ATOM 513 CD GLU A 36 -0.087 -20.396 -0.952 1.00 0.00 C ATOM 514 OE1 GLU A 36 0.116 -20.269 0.274 1.00 0.00 O ATOM 515 OE2 GLU A 36 -1.214 -20.624 -1.440 1.00 0.00 O ATOM 0 H GLU A 36 1.964 -17.315 0.171 1.00 0.00 H new ATOM 0 HA GLU A 36 2.768 -20.075 -0.019 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.206 -18.171 -1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.457 -18.762 -2.563 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.736 -20.282 -2.923 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.747 -21.132 -1.771 1.00 0.00 H new ATOM 522 N CYS A 37 4.548 -17.992 -1.871 1.00 0.00 N ATOM 523 CA CYS A 37 5.895 -17.773 -2.396 1.00 0.00 C ATOM 524 C CYS A 37 6.761 -17.011 -1.400 1.00 0.00 C ATOM 525 O CYS A 37 7.989 -17.067 -1.465 1.00 0.00 O ATOM 526 CB CYS A 37 5.866 -17.009 -3.727 1.00 0.00 C ATOM 527 SG CYS A 37 4.937 -15.460 -3.705 1.00 0.00 S ATOM 0 H CYS A 37 3.836 -17.370 -2.253 1.00 0.00 H new ATOM 0 HA CYS A 37 6.327 -18.759 -2.565 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.892 -16.795 -4.027 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.440 -17.659 -4.491 1.00 0.00 H new ATOM 532 N GLY A 38 6.120 -16.290 -0.490 1.00 0.00 N ATOM 533 CA GLY A 38 6.859 -15.519 0.488 1.00 0.00 C ATOM 534 C GLY A 38 7.456 -14.269 -0.121 1.00 0.00 C ATOM 535 O GLY A 38 8.615 -13.940 0.128 1.00 0.00 O ATOM 0 H GLY A 38 5.105 -16.226 -0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.198 -15.244 1.310 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.654 -16.133 0.911 1.00 0.00 H new ATOM 539 N LEU A 39 6.660 -13.573 -0.928 1.00 0.00 N ATOM 540 CA LEU A 39 7.117 -12.355 -1.579 1.00 0.00 C ATOM 541 C LEU A 39 6.832 -11.144 -0.703 1.00 0.00 C ATOM 542 O LEU A 39 6.199 -11.264 0.345 1.00 0.00 O ATOM 543 CB LEU A 39 6.444 -12.194 -2.948 1.00 0.00 C ATOM 544 CG LEU A 39 5.040 -11.577 -2.923 1.00 0.00 C ATOM 545 CD1 LEU A 39 5.077 -10.141 -3.423 1.00 0.00 C ATOM 546 CD2 LEU A 39 4.075 -12.407 -3.755 1.00 0.00 C ATOM 0 H LEU A 39 5.698 -13.833 -1.145 1.00 0.00 H new ATOM 0 HA LEU A 39 8.194 -12.428 -1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.083 -11.575 -3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.383 -13.174 -3.421 1.00 0.00 H new ATOM 0 HG LEU A 39 4.687 -11.572 -1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.072 -9.721 -3.398 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.733 -9.550 -2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.453 -10.122 -4.446 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.085 -11.953 -3.724 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.425 -12.446 -4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.023 -13.418 -3.351 1.00 0.00 H new ATOM 558 N VAL A 40 7.300 -9.980 -1.137 1.00 0.00 N ATOM 559 CA VAL A 40 7.093 -8.748 -0.389 1.00 0.00 C ATOM 560 C VAL A 40 6.658 -7.614 -1.309 1.00 0.00 C ATOM 561 O VAL A 40 7.450 -7.107 -2.103 1.00 0.00 O ATOM 562 CB VAL A 40 8.368 -8.322 0.362 1.00 0.00 C ATOM 563 CG1 VAL A 40 8.079 -7.151 1.288 1.00 0.00 C ATOM 564 CG2 VAL A 40 8.947 -9.495 1.139 1.00 0.00 C ATOM 0 H VAL A 40 7.825 -9.864 -2.004 1.00 0.00 H new ATOM 0 HA VAL A 40 6.305 -8.949 0.336 1.00 0.00 H new ATOM 0 HB VAL A 40 9.108 -8.000 -0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.993 -6.865 1.809 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.715 -6.306 0.703 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.322 -7.441 2.016 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.847 -9.175 1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.213 -9.850 1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.196 -10.301 0.449 1.00 0.00 H new ATOM 574 N VAL A 41 5.394 -7.219 -1.197 1.00 0.00 N ATOM 575 CA VAL A 41 4.857 -6.142 -2.020 1.00 0.00 C ATOM 576 C VAL A 41 4.995 -4.798 -1.316 1.00 0.00 C ATOM 577 O VAL A 41 4.521 -4.622 -0.191 1.00 0.00 O ATOM 578 CB VAL A 41 3.377 -6.380 -2.370 1.00 0.00 C ATOM 579 CG1 VAL A 41 2.899 -5.362 -3.394 1.00 0.00 C ATOM 580 CG2 VAL A 41 3.171 -7.798 -2.883 1.00 0.00 C ATOM 0 H VAL A 41 4.724 -7.628 -0.546 1.00 0.00 H new ATOM 0 HA VAL A 41 5.437 -6.129 -2.943 1.00 0.00 H new ATOM 0 HB VAL A 41 2.784 -6.255 -1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.851 -5.547 -3.629 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.008 -4.357 -2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.495 -5.452 -4.302 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.119 -7.948 -3.125 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.775 -7.953 -3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.471 -8.510 -2.114 1.00 0.00 H new ATOM 590 N GLY A 42 5.653 -3.855 -1.983 1.00 0.00 N ATOM 591 CA GLY A 42 5.852 -2.537 -1.409 1.00 0.00 C ATOM 592 C GLY A 42 7.302 -2.283 -1.048 1.00 0.00 C ATOM 593 O GLY A 42 8.036 -1.653 -1.809 1.00 0.00 O ATOM 0 H GLY A 42 6.053 -3.981 -2.913 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.518 -1.780 -2.118 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.234 -2.434 -0.517 1.00 0.00 H new ATOM 597 N ASP A 43 7.714 -2.778 0.114 1.00 0.00 N ATOM 598 CA ASP A 43 9.086 -2.611 0.580 1.00 0.00 C ATOM 599 C ASP A 43 9.442 -1.132 0.733 1.00 0.00 C ATOM 600 O ASP A 43 9.393 -0.584 1.833 1.00 0.00 O ATOM 601 CB ASP A 43 10.060 -3.300 -0.383 1.00 0.00 C ATOM 602 CG ASP A 43 11.510 -3.116 0.023 1.00 0.00 C ATOM 603 OD1 ASP A 43 11.858 -3.483 1.165 1.00 0.00 O ATOM 604 OD2 ASP A 43 12.297 -2.605 -0.801 1.00 0.00 O ATOM 0 H ASP A 43 7.115 -3.300 0.753 1.00 0.00 H new ATOM 0 HA ASP A 43 9.170 -3.078 1.561 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.831 -4.365 -0.426 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.914 -2.902 -1.387 1.00 0.00 H new ATOM 609 N ARG A 44 9.803 -0.494 -0.375 1.00 0.00 N ATOM 610 CA ARG A 44 10.171 0.917 -0.361 1.00 0.00 C ATOM 611 C ARG A 44 8.986 1.788 0.043 1.00 0.00 C ATOM 612 O ARG A 44 8.133 2.115 -0.782 1.00 0.00 O ATOM 613 CB ARG A 44 10.686 1.345 -1.737 1.00 0.00 C ATOM 614 CG ARG A 44 11.800 0.461 -2.272 1.00 0.00 C ATOM 615 CD ARG A 44 11.818 0.446 -3.792 1.00 0.00 C ATOM 616 NE ARG A 44 12.789 1.391 -4.338 1.00 0.00 N ATOM 617 CZ ARG A 44 12.774 1.823 -5.597 1.00 0.00 C ATOM 618 NH1 ARG A 44 11.843 1.400 -6.441 1.00 0.00 N ATOM 619 NH2 ARG A 44 13.695 2.683 -6.012 1.00 0.00 N ATOM 0 H ARG A 44 9.849 -0.932 -1.295 1.00 0.00 H new ATOM 0 HA ARG A 44 10.963 1.051 0.375 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.857 1.338 -2.444 1.00 0.00 H new ATOM 0 HB3 ARG A 44 11.046 2.372 -1.678 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.760 0.818 -1.899 1.00 0.00 H new ATOM 0 HG3 ARG A 44 11.671 -0.555 -1.899 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.054 -0.559 -4.142 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.824 0.689 -4.169 1.00 0.00 H new ATOM 0 HE ARG A 44 13.521 1.740 -3.719 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.132 0.739 -6.127 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.838 1.735 -7.404 1.00 0.00 H new ATOM 0 HH21 ARG A 44 14.413 3.012 -5.367 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.685 3.015 -6.976 1.00 0.00 H new ATOM 633 N VAL A 45 8.942 2.162 1.317 1.00 0.00 N ATOM 634 CA VAL A 45 7.869 2.996 1.833 1.00 0.00 C ATOM 635 C VAL A 45 8.016 4.436 1.355 1.00 0.00 C ATOM 636 O VAL A 45 9.123 4.899 1.079 1.00 0.00 O ATOM 637 CB VAL A 45 7.845 2.977 3.371 1.00 0.00 C ATOM 638 CG1 VAL A 45 7.281 1.662 3.883 1.00 0.00 C ATOM 639 CG2 VAL A 45 9.238 3.224 3.933 1.00 0.00 C ATOM 0 H VAL A 45 9.641 1.898 2.012 1.00 0.00 H new ATOM 0 HA VAL A 45 6.933 2.586 1.454 1.00 0.00 H new ATOM 0 HB VAL A 45 7.194 3.781 3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.273 1.669 4.973 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.264 1.534 3.513 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.901 0.838 3.530 1.00 0.00 H new ATOM 0 HG21 VAL A 45 9.199 3.207 5.022 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.915 2.446 3.582 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.598 4.197 3.598 1.00 0.00 H new ATOM 649 N ILE A 46 6.893 5.142 1.257 1.00 0.00 N ATOM 650 CA ILE A 46 6.900 6.530 0.812 1.00 0.00 C ATOM 651 C ILE A 46 6.167 7.430 1.803 1.00 0.00 C ATOM 652 O ILE A 46 5.140 8.025 1.476 1.00 0.00 O ATOM 653 CB ILE A 46 6.253 6.676 -0.579 1.00 0.00 C ATOM 654 CG1 ILE A 46 6.847 5.657 -1.552 1.00 0.00 C ATOM 655 CG2 ILE A 46 6.442 8.091 -1.106 1.00 0.00 C ATOM 656 CD1 ILE A 46 6.085 4.351 -1.599 1.00 0.00 C ATOM 0 H ILE A 46 5.968 4.775 1.480 1.00 0.00 H new ATOM 0 HA ILE A 46 7.944 6.839 0.752 1.00 0.00 H new ATOM 0 HB ILE A 46 5.184 6.483 -0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.869 6.091 -2.551 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.880 5.456 -1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.980 8.178 -2.089 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.975 8.800 -0.422 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.507 8.311 -1.185 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.563 3.676 -2.310 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.084 3.894 -0.609 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.058 4.540 -1.912 1.00 0.00 H new ATOM 668 N ASP A 47 6.703 7.525 3.016 1.00 0.00 N ATOM 669 CA ASP A 47 6.103 8.353 4.055 1.00 0.00 C ATOM 670 C ASP A 47 4.696 7.870 4.392 1.00 0.00 C ATOM 671 O ASP A 47 4.015 7.275 3.556 1.00 0.00 O ATOM 672 CB ASP A 47 6.058 9.816 3.608 1.00 0.00 C ATOM 673 CG ASP A 47 7.298 10.584 4.019 1.00 0.00 C ATOM 674 OD1 ASP A 47 8.397 10.244 3.532 1.00 0.00 O ATOM 675 OD2 ASP A 47 7.172 11.529 4.827 1.00 0.00 O ATOM 0 H ASP A 47 7.552 7.038 3.303 1.00 0.00 H new ATOM 0 HA ASP A 47 6.720 8.272 4.950 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.950 9.859 2.524 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.178 10.297 4.035 1.00 0.00 H new ATOM 680 N VAL A 48 4.268 8.129 5.623 1.00 0.00 N ATOM 681 CA VAL A 48 2.947 7.724 6.075 1.00 0.00 C ATOM 682 C VAL A 48 1.860 8.586 5.441 1.00 0.00 C ATOM 683 O VAL A 48 2.150 9.486 4.652 1.00 0.00 O ATOM 684 CB VAL A 48 2.834 7.818 7.607 1.00 0.00 C ATOM 685 CG1 VAL A 48 3.586 6.674 8.270 1.00 0.00 C ATOM 686 CG2 VAL A 48 3.347 9.162 8.102 1.00 0.00 C ATOM 0 H VAL A 48 4.821 8.619 6.326 1.00 0.00 H new ATOM 0 HA VAL A 48 2.807 6.688 5.767 1.00 0.00 H new ATOM 0 HB VAL A 48 1.782 7.736 7.879 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.495 6.758 9.353 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.165 5.724 7.943 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.638 6.720 7.990 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.258 9.208 9.187 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.393 9.279 7.818 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.758 9.963 7.656 1.00 0.00 H new ATOM 696 N GLY A 49 0.610 8.307 5.791 1.00 0.00 N ATOM 697 CA GLY A 49 -0.500 9.067 5.247 1.00 0.00 C ATOM 698 C GLY A 49 -1.847 8.491 5.638 1.00 0.00 C ATOM 699 O GLY A 49 -2.022 8.011 6.759 1.00 0.00 O ATOM 0 H GLY A 49 0.345 7.568 6.442 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.435 10.098 5.595 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.421 9.092 4.160 1.00 0.00 H new ATOM 703 N SER A 50 -2.799 8.539 4.713 1.00 0.00 N ATOM 704 CA SER A 50 -4.137 8.017 4.966 1.00 0.00 C ATOM 705 C SER A 50 -4.557 7.043 3.869 1.00 0.00 C ATOM 706 O SER A 50 -5.701 7.061 3.412 1.00 0.00 O ATOM 707 CB SER A 50 -5.145 9.164 5.060 1.00 0.00 C ATOM 708 OG SER A 50 -5.232 9.660 6.385 1.00 0.00 O ATOM 0 H SER A 50 -2.669 8.934 3.782 1.00 0.00 H new ATOM 0 HA SER A 50 -4.118 7.481 5.915 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.849 9.968 4.386 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.126 8.818 4.733 1.00 0.00 H new ATOM 0 HG SER A 50 -5.881 10.393 6.418 1.00 0.00 H new ATOM 714 N GLU A 51 -3.625 6.193 3.452 1.00 0.00 N ATOM 715 CA GLU A 51 -3.897 5.211 2.409 1.00 0.00 C ATOM 716 C GLU A 51 -4.274 5.897 1.101 1.00 0.00 C ATOM 717 O GLU A 51 -5.055 5.364 0.311 1.00 0.00 O ATOM 718 CB GLU A 51 -5.018 4.268 2.848 1.00 0.00 C ATOM 719 CG GLU A 51 -4.802 2.825 2.423 1.00 0.00 C ATOM 720 CD GLU A 51 -4.213 1.972 3.530 1.00 0.00 C ATOM 721 OE1 GLU A 51 -4.933 1.696 4.513 1.00 0.00 O ATOM 722 OE2 GLU A 51 -3.033 1.583 3.417 1.00 0.00 O ATOM 0 H GLU A 51 -2.674 6.164 3.820 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.989 4.631 2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.111 4.308 3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.962 4.622 2.434 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.753 2.397 2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.139 2.800 1.559 1.00 0.00 H new ATOM 729 N TRP A 52 -3.717 7.082 0.877 1.00 0.00 N ATOM 730 CA TRP A 52 -3.996 7.843 -0.336 1.00 0.00 C ATOM 731 C TRP A 52 -2.729 8.029 -1.164 1.00 0.00 C ATOM 732 O TRP A 52 -1.743 8.595 -0.691 1.00 0.00 O ATOM 733 CB TRP A 52 -4.593 9.206 0.018 1.00 0.00 C ATOM 734 CG TRP A 52 -5.161 9.931 -1.164 1.00 0.00 C ATOM 735 CD1 TRP A 52 -4.465 10.628 -2.109 1.00 0.00 C ATOM 736 CD2 TRP A 52 -6.543 10.030 -1.527 1.00 0.00 C ATOM 737 NE1 TRP A 52 -5.330 11.155 -3.038 1.00 0.00 N ATOM 738 CE2 TRP A 52 -6.611 10.802 -2.703 1.00 0.00 C ATOM 739 CE3 TRP A 52 -7.729 9.540 -0.974 1.00 0.00 C ATOM 740 CZ2 TRP A 52 -7.818 11.094 -3.332 1.00 0.00 C ATOM 741 CZ3 TRP A 52 -8.927 9.832 -1.599 1.00 0.00 C ATOM 742 CH2 TRP A 52 -8.963 10.603 -2.769 1.00 0.00 C ATOM 0 H TRP A 52 -3.069 7.537 1.520 1.00 0.00 H new ATOM 0 HA TRP A 52 -4.717 7.282 -0.930 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -5.377 9.069 0.762 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -3.822 9.824 0.478 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -3.392 10.748 -2.124 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -5.062 11.717 -3.846 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -7.710 8.943 -0.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -7.849 11.688 -4.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -9.850 9.460 -1.179 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -9.914 10.813 -3.235 1.00 0.00 H new ATOM 753 N ARG A 53 -2.763 7.552 -2.404 1.00 0.00 N ATOM 754 CA ARG A 53 -1.619 7.667 -3.299 1.00 0.00 C ATOM 755 C ARG A 53 -2.064 7.645 -4.758 1.00 0.00 C ATOM 756 O ARG A 53 -1.508 6.914 -5.579 1.00 0.00 O ATOM 757 CB ARG A 53 -0.624 6.534 -3.037 1.00 0.00 C ATOM 758 CG ARG A 53 0.761 6.795 -3.609 1.00 0.00 C ATOM 759 CD ARG A 53 1.814 6.869 -2.515 1.00 0.00 C ATOM 760 NE ARG A 53 3.158 6.614 -3.030 1.00 0.00 N ATOM 761 CZ ARG A 53 3.839 7.476 -3.782 1.00 0.00 C ATOM 762 NH1 ARG A 53 3.308 8.648 -4.108 1.00 0.00 N ATOM 763 NH2 ARG A 53 5.055 7.166 -4.208 1.00 0.00 N ATOM 0 H ARG A 53 -3.571 7.082 -2.811 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.130 8.621 -3.103 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.540 6.377 -1.962 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.016 5.611 -3.464 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.020 6.003 -4.311 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.753 7.729 -4.171 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.785 7.854 -2.050 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.580 6.142 -1.737 1.00 0.00 H new ATOM 0 HE ARG A 53 3.600 5.724 -2.800 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.373 8.893 -3.782 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.835 9.304 -4.684 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.469 6.267 -3.960 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.577 7.826 -4.784 1.00 0.00 H new ATOM 777 N THR A 54 -3.072 8.451 -5.076 1.00 0.00 N ATOM 778 CA THR A 54 -3.592 8.526 -6.437 1.00 0.00 C ATOM 779 C THR A 54 -2.602 9.230 -7.358 1.00 0.00 C ATOM 780 O THR A 54 -2.510 8.914 -8.544 1.00 0.00 O ATOM 781 CB THR A 54 -4.933 9.261 -6.452 1.00 0.00 C ATOM 782 OG1 THR A 54 -4.762 10.624 -6.106 1.00 0.00 O ATOM 783 CG2 THR A 54 -5.949 8.670 -5.499 1.00 0.00 C ATOM 0 H THR A 54 -3.545 9.061 -4.410 1.00 0.00 H new ATOM 0 HA THR A 54 -3.739 7.509 -6.801 1.00 0.00 H new ATOM 0 HB THR A 54 -5.309 9.156 -7.470 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.631 11.077 -6.123 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.877 9.238 -5.559 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.141 7.632 -5.770 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.562 8.714 -4.481 1.00 0.00 H new ATOM 791 N PHE A 55 -1.864 10.186 -6.804 1.00 0.00 N ATOM 792 CA PHE A 55 -0.878 10.935 -7.575 1.00 0.00 C ATOM 793 C PHE A 55 0.424 11.084 -6.793 1.00 0.00 C ATOM 794 O PHE A 55 0.480 10.783 -5.600 1.00 0.00 O ATOM 795 CB PHE A 55 -1.429 12.315 -7.943 1.00 0.00 C ATOM 796 CG PHE A 55 -1.956 12.396 -9.347 1.00 0.00 C ATOM 797 CD1 PHE A 55 -3.097 11.700 -9.714 1.00 0.00 C ATOM 798 CD2 PHE A 55 -1.310 13.168 -10.299 1.00 0.00 C ATOM 799 CE1 PHE A 55 -3.584 11.773 -11.006 1.00 0.00 C ATOM 800 CE2 PHE A 55 -1.793 13.245 -11.592 1.00 0.00 C ATOM 801 CZ PHE A 55 -2.931 12.546 -11.946 1.00 0.00 C ATOM 0 H PHE A 55 -1.930 10.461 -5.824 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.669 10.380 -8.490 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.228 12.575 -7.248 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.641 13.057 -7.816 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.611 11.094 -8.983 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.419 13.716 -10.028 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.474 11.226 -11.280 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.281 13.851 -12.325 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.309 12.604 -12.956 1.00 0.00 H new ATOM 811 N SER A 56 1.467 11.549 -7.472 1.00 0.00 N ATOM 812 CA SER A 56 2.767 11.736 -6.840 1.00 0.00 C ATOM 813 C SER A 56 2.823 13.067 -6.093 1.00 0.00 C ATOM 814 O SER A 56 2.685 13.110 -4.870 1.00 0.00 O ATOM 815 CB SER A 56 3.882 11.673 -7.887 1.00 0.00 C ATOM 816 OG SER A 56 4.490 10.393 -7.907 1.00 0.00 O ATOM 0 H SER A 56 1.437 11.803 -8.459 1.00 0.00 H new ATOM 0 HA SER A 56 2.912 10.931 -6.119 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.474 11.901 -8.872 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.633 12.433 -7.670 1.00 0.00 H new ATOM 0 HG SER A 56 5.198 10.378 -8.585 1.00 0.00 H new ATOM 822 N ASN A 57 3.027 14.151 -6.836 1.00 0.00 N ATOM 823 CA ASN A 57 3.101 15.482 -6.243 1.00 0.00 C ATOM 824 C ASN A 57 3.290 16.547 -7.319 1.00 0.00 C ATOM 825 O ASN A 57 4.416 16.921 -7.646 1.00 0.00 O ATOM 826 CB ASN A 57 4.250 15.552 -5.235 1.00 0.00 C ATOM 827 CG ASN A 57 4.007 16.586 -4.153 1.00 0.00 C ATOM 828 OD1 ASN A 57 2.911 17.135 -4.037 1.00 0.00 O ATOM 829 ND2 ASN A 57 5.031 16.858 -3.353 1.00 0.00 N ATOM 0 H ASN A 57 3.144 14.134 -7.849 1.00 0.00 H new ATOM 0 HA ASN A 57 2.161 15.674 -5.726 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.386 14.573 -4.775 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.176 15.789 -5.759 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.927 17.546 -2.607 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.922 16.379 -3.485 1.00 0.00 H new ATOM 836 N ASP A 58 2.179 17.033 -7.865 1.00 0.00 N ATOM 837 CA ASP A 58 2.222 18.057 -8.903 1.00 0.00 C ATOM 838 C ASP A 58 2.997 17.564 -10.121 1.00 0.00 C ATOM 839 O ASP A 58 3.324 16.382 -10.225 1.00 0.00 O ATOM 840 CB ASP A 58 2.860 19.337 -8.360 1.00 0.00 C ATOM 841 CG ASP A 58 2.155 20.587 -8.851 1.00 0.00 C ATOM 842 OD1 ASP A 58 1.018 20.842 -8.402 1.00 0.00 O ATOM 843 OD2 ASP A 58 2.741 21.310 -9.683 1.00 0.00 O ATOM 0 H ASP A 58 1.239 16.734 -7.606 1.00 0.00 H new ATOM 0 HA ASP A 58 1.198 18.272 -9.209 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.840 19.316 -7.270 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.908 19.373 -8.659 1.00 0.00 H new ATOM 848 N LYS A 59 3.291 18.478 -11.040 1.00 0.00 N ATOM 849 CA LYS A 59 4.028 18.136 -12.251 1.00 0.00 C ATOM 850 C LYS A 59 4.314 19.383 -13.082 1.00 0.00 C ATOM 851 O LYS A 59 4.555 20.461 -12.540 1.00 0.00 O ATOM 852 CB LYS A 59 3.241 17.123 -13.083 1.00 0.00 C ATOM 853 CG LYS A 59 4.060 16.482 -14.193 1.00 0.00 C ATOM 854 CD LYS A 59 3.506 15.119 -14.581 1.00 0.00 C ATOM 855 CE LYS A 59 4.566 14.034 -14.472 1.00 0.00 C ATOM 856 NZ LYS A 59 5.821 14.410 -15.180 1.00 0.00 N ATOM 857 OXT LYS A 59 4.303 19.298 -14.509 1.00 0.00 O ATOM 0 H LYS A 59 3.030 19.461 -10.969 1.00 0.00 H new ATOM 0 HA LYS A 59 4.979 17.691 -11.956 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.861 16.341 -12.425 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.375 17.619 -13.521 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.066 17.135 -15.066 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.095 16.376 -13.868 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.663 14.871 -13.936 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.126 15.157 -15.602 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.785 13.845 -13.421 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.178 13.105 -14.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.268 13.556 -15.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.599 15.070 -15.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.474 14.866 -14.511 1.00 0.00 H new TER 871 LYS A 59 HETATM 872 ZN ZN A 60 2.678 -15.900 -3.861 1.00 0.00 ZN