USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 394 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 Set 1.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 15 SER OG : rot 180:sc= -0.148 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot -7:sc= -8.81! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0.102 USER MOD Single : A 18 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0668) USER MOD Single : A 20 HIS : no HE2:sc= -12.7! C(o=-13!,f=-16!) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0.521 K(o=0.52,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0341 USER MOD Single : A 36 ASN : amide:sc= -0.319 K(o=-0.32,f=-3.4!) USER MOD Single : A 38 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.58) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 153:sc= -0.0189 (180deg=-0.852) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -8.094 12.226 0.259 1.00 0.00 N ATOM 2 CA ASP A 1 -7.548 12.034 1.633 1.00 0.00 C ATOM 3 C ASP A 1 -6.433 10.985 1.593 1.00 0.00 C ATOM 4 O ASP A 1 -5.263 11.312 1.579 1.00 0.00 O ATOM 5 CB ASP A 1 -8.665 11.557 2.566 1.00 0.00 C ATOM 6 CG ASP A 1 -9.503 12.753 3.025 1.00 0.00 C ATOM 7 OD1 ASP A 1 -9.088 13.874 2.781 1.00 0.00 O ATOM 8 OD2 ASP A 1 -10.547 12.527 3.615 1.00 0.00 O ATOM 0 H1 ASP A 1 -8.852 12.938 0.283 1.00 0.00 H new ATOM 0 H2 ASP A 1 -7.335 12.549 -0.374 1.00 0.00 H new ATOM 0 H3 ASP A 1 -8.477 11.325 -0.091 1.00 0.00 H new ATOM 0 HA ASP A 1 -7.148 12.979 2.002 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -9.298 10.834 2.051 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -8.237 11.048 3.430 1.00 0.00 H new ATOM 15 N SER A 2 -6.785 9.728 1.575 1.00 0.00 N ATOM 16 CA SER A 2 -5.746 8.663 1.535 1.00 0.00 C ATOM 17 C SER A 2 -6.203 7.549 0.593 1.00 0.00 C ATOM 18 O SER A 2 -7.363 7.186 0.562 1.00 0.00 O ATOM 19 CB SER A 2 -5.547 8.091 2.938 1.00 0.00 C ATOM 20 OG SER A 2 -6.691 7.332 3.306 1.00 0.00 O ATOM 0 H SER A 2 -7.749 9.394 1.586 1.00 0.00 H new ATOM 0 HA SER A 2 -4.806 9.083 1.178 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.657 7.463 2.963 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.388 8.899 3.653 1.00 0.00 H new ATOM 0 HG SER A 2 -6.564 6.963 4.205 1.00 0.00 H new ATOM 26 N ILE A 3 -5.304 7.007 -0.176 1.00 0.00 N ATOM 27 CA ILE A 3 -5.683 5.926 -1.112 1.00 0.00 C ATOM 28 C ILE A 3 -5.496 4.574 -0.423 1.00 0.00 C ATOM 29 O ILE A 3 -4.517 4.345 0.257 1.00 0.00 O ATOM 30 CB ILE A 3 -4.794 5.990 -2.357 1.00 0.00 C ATOM 31 CG1 ILE A 3 -5.076 7.279 -3.129 1.00 0.00 C ATOM 32 CG2 ILE A 3 -5.081 4.790 -3.263 1.00 0.00 C ATOM 33 CD1 ILE A 3 -4.204 7.312 -4.386 1.00 0.00 C ATOM 0 H ILE A 3 -4.319 7.270 -0.194 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.726 6.047 -1.406 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.750 5.971 -2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.130 7.331 -3.401 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.866 8.146 -2.503 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.445 4.841 -4.147 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.875 3.867 -2.721 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.128 4.806 -3.567 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.401 8.229 -4.941 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.153 7.279 -4.100 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.437 6.451 -5.013 1.00 0.00 H new ATOM 45 N THR A 4 -6.417 3.673 -0.600 1.00 0.00 N ATOM 46 CA THR A 4 -6.282 2.333 0.033 1.00 0.00 C ATOM 47 C THR A 4 -6.501 1.270 -1.038 1.00 0.00 C ATOM 48 O THR A 4 -7.577 1.150 -1.590 1.00 0.00 O ATOM 49 CB THR A 4 -7.326 2.172 1.140 1.00 0.00 C ATOM 50 OG1 THR A 4 -7.157 3.205 2.100 1.00 0.00 O ATOM 51 CG2 THR A 4 -7.150 0.809 1.814 1.00 0.00 C ATOM 0 H THR A 4 -7.261 3.806 -1.157 1.00 0.00 H new ATOM 0 HA THR A 4 -5.289 2.227 0.471 1.00 0.00 H new ATOM 0 HB THR A 4 -8.326 2.235 0.711 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.826 3.105 2.809 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.894 0.694 2.603 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.280 0.018 1.075 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.151 0.742 2.245 1.00 0.00 H new ATOM 59 N TYR A 5 -5.492 0.509 -1.355 1.00 0.00 N ATOM 60 CA TYR A 5 -5.662 -0.524 -2.410 1.00 0.00 C ATOM 61 C TYR A 5 -5.434 -1.911 -1.836 1.00 0.00 C ATOM 62 O TYR A 5 -4.532 -2.137 -1.059 1.00 0.00 O ATOM 63 CB TYR A 5 -4.681 -0.244 -3.551 1.00 0.00 C ATOM 64 CG TYR A 5 -3.375 -0.995 -3.386 1.00 0.00 C ATOM 65 CD1 TYR A 5 -3.285 -2.367 -3.677 1.00 0.00 C ATOM 66 CD2 TYR A 5 -2.226 -0.292 -3.008 1.00 0.00 C ATOM 67 CE1 TYR A 5 -2.060 -3.016 -3.592 1.00 0.00 C ATOM 68 CE2 TYR A 5 -1.001 -0.954 -2.909 1.00 0.00 C ATOM 69 CZ TYR A 5 -0.920 -2.316 -3.206 1.00 0.00 C ATOM 70 OH TYR A 5 0.285 -2.968 -3.134 1.00 0.00 O ATOM 0 H TYR A 5 -4.565 0.557 -0.933 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.681 -0.484 -2.795 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.141 -0.524 -4.499 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.478 0.826 -3.598 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -4.168 -2.917 -3.967 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.287 0.765 -2.792 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.991 -4.068 -3.826 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.117 -0.414 -2.603 1.00 0.00 H new ATOM 0 HH TYR A 5 0.146 -3.928 -3.273 1.00 0.00 H new ATOM 80 N ARG A 6 -6.247 -2.852 -2.220 1.00 0.00 N ATOM 81 CA ARG A 6 -6.068 -4.225 -1.700 1.00 0.00 C ATOM 82 C ARG A 6 -5.112 -4.978 -2.613 1.00 0.00 C ATOM 83 O ARG A 6 -5.290 -5.052 -3.812 1.00 0.00 O ATOM 84 CB ARG A 6 -7.418 -4.947 -1.622 1.00 0.00 C ATOM 85 CG ARG A 6 -7.963 -5.193 -3.031 1.00 0.00 C ATOM 86 CD ARG A 6 -9.398 -5.717 -2.940 1.00 0.00 C ATOM 87 NE ARG A 6 -10.155 -4.925 -1.929 1.00 0.00 N ATOM 88 CZ ARG A 6 -10.732 -5.529 -0.926 1.00 0.00 C ATOM 89 NH1 ARG A 6 -10.380 -5.241 0.298 1.00 0.00 N ATOM 90 NH2 ARG A 6 -11.659 -6.419 -1.147 1.00 0.00 N ATOM 0 H ARG A 6 -7.024 -2.727 -2.869 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.651 -4.183 -0.694 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.303 -5.895 -1.097 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -8.127 -4.349 -1.048 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.938 -4.269 -3.608 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.334 -5.913 -3.555 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -9.885 -5.645 -3.913 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -9.394 -6.771 -2.663 1.00 0.00 H new ATOM 0 HE ARG A 6 -10.222 -3.911 -2.021 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.655 -4.545 0.470 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -10.830 -5.712 1.082 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -11.933 -6.643 -2.104 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -12.110 -6.891 -0.363 1.00 0.00 H new ATOM 104 N VAL A 7 -4.087 -5.518 -2.042 1.00 0.00 N ATOM 105 CA VAL A 7 -3.088 -6.259 -2.839 1.00 0.00 C ATOM 106 C VAL A 7 -3.617 -7.662 -3.106 1.00 0.00 C ATOM 107 O VAL A 7 -3.738 -8.460 -2.213 1.00 0.00 O ATOM 108 CB VAL A 7 -1.801 -6.326 -2.024 1.00 0.00 C ATOM 109 CG1 VAL A 7 -0.634 -6.744 -2.912 1.00 0.00 C ATOM 110 CG2 VAL A 7 -1.517 -4.940 -1.447 1.00 0.00 C ATOM 0 H VAL A 7 -3.895 -5.478 -1.041 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.897 -5.767 -3.793 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.917 -7.058 -1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.278 -6.788 -2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.836 -7.726 -3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.509 -6.017 -3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.599 -4.971 -0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.404 -4.223 -2.261 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.345 -4.635 -0.808 1.00 0.00 H new ATOM 120 N ARG A 8 -3.938 -7.962 -4.328 1.00 0.00 N ATOM 121 CA ARG A 8 -4.472 -9.318 -4.644 1.00 0.00 C ATOM 122 C ARG A 8 -3.347 -10.184 -5.198 1.00 0.00 C ATOM 123 O ARG A 8 -2.336 -9.683 -5.639 1.00 0.00 O ATOM 124 CB ARG A 8 -5.588 -9.195 -5.684 1.00 0.00 C ATOM 125 CG ARG A 8 -6.844 -8.636 -5.018 1.00 0.00 C ATOM 126 CD ARG A 8 -7.776 -8.062 -6.085 1.00 0.00 C ATOM 127 NE ARG A 8 -8.363 -9.176 -6.881 1.00 0.00 N ATOM 128 CZ ARG A 8 -9.589 -9.092 -7.317 1.00 0.00 C ATOM 129 NH1 ARG A 8 -9.819 -8.781 -8.562 1.00 0.00 N ATOM 130 NH2 ARG A 8 -10.586 -9.318 -6.505 1.00 0.00 N ATOM 0 H ARG A 8 -3.855 -7.330 -5.125 1.00 0.00 H new ATOM 0 HA ARG A 8 -4.871 -9.777 -3.739 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.272 -8.541 -6.497 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.799 -10.170 -6.124 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.353 -9.422 -4.460 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.574 -7.861 -4.301 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.568 -7.479 -5.616 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.226 -7.385 -6.738 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.805 -10.005 -7.085 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.040 -8.603 -9.196 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.778 -8.715 -8.902 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.405 -9.560 -5.531 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.545 -9.253 -6.845 1.00 0.00 H new ATOM 144 N LYS A 9 -3.500 -11.482 -5.169 1.00 0.00 N ATOM 145 CA LYS A 9 -2.418 -12.358 -5.696 1.00 0.00 C ATOM 146 C LYS A 9 -2.098 -11.942 -7.131 1.00 0.00 C ATOM 147 O LYS A 9 -2.975 -11.631 -7.913 1.00 0.00 O ATOM 148 CB LYS A 9 -2.861 -13.820 -5.672 1.00 0.00 C ATOM 149 CG LYS A 9 -4.127 -13.995 -6.517 1.00 0.00 C ATOM 150 CD LYS A 9 -3.811 -14.870 -7.732 1.00 0.00 C ATOM 151 CE LYS A 9 -5.094 -15.124 -8.526 1.00 0.00 C ATOM 152 NZ LYS A 9 -4.775 -15.178 -9.980 1.00 0.00 N ATOM 0 H LYS A 9 -4.320 -11.968 -4.806 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.531 -12.252 -5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.065 -14.457 -6.058 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.052 -14.135 -4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.915 -14.454 -5.920 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.498 -13.023 -6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.071 -14.379 -8.364 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.377 -15.816 -7.409 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.552 -16.061 -8.208 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.818 -14.333 -8.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.647 -15.351 -10.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.357 -14.274 -10.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.099 -15.948 -10.159 1.00 0.00 H new ATOM 166 N GLY A 10 -0.841 -11.910 -7.475 1.00 0.00 N ATOM 167 CA GLY A 10 -0.458 -11.486 -8.850 1.00 0.00 C ATOM 168 C GLY A 10 -0.304 -9.958 -8.898 1.00 0.00 C ATOM 169 O GLY A 10 0.208 -9.411 -9.855 1.00 0.00 O ATOM 0 H GLY A 10 -0.063 -12.159 -6.864 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.477 -11.964 -9.141 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.216 -11.807 -9.564 1.00 0.00 H new ATOM 173 N ASP A 11 -0.745 -9.259 -7.878 1.00 0.00 N ATOM 174 CA ASP A 11 -0.618 -7.775 -7.878 1.00 0.00 C ATOM 175 C ASP A 11 0.795 -7.392 -7.455 1.00 0.00 C ATOM 176 O ASP A 11 1.406 -8.048 -6.636 1.00 0.00 O ATOM 177 CB ASP A 11 -1.620 -7.166 -6.893 1.00 0.00 C ATOM 178 CG ASP A 11 -3.036 -7.249 -7.467 1.00 0.00 C ATOM 179 OD1 ASP A 11 -3.305 -8.179 -8.211 1.00 0.00 O ATOM 180 OD2 ASP A 11 -3.832 -6.381 -7.149 1.00 0.00 O ATOM 0 H ASP A 11 -1.186 -9.656 -7.049 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.822 -7.397 -8.880 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.573 -7.695 -5.941 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.360 -6.126 -6.694 1.00 0.00 H new ATOM 185 N SER A 12 1.318 -6.332 -8.000 1.00 0.00 N ATOM 186 CA SER A 12 2.691 -5.907 -7.623 1.00 0.00 C ATOM 187 C SER A 12 2.621 -4.516 -6.999 1.00 0.00 C ATOM 188 O SER A 12 1.926 -3.655 -7.478 1.00 0.00 O ATOM 189 CB SER A 12 3.578 -5.869 -8.867 1.00 0.00 C ATOM 190 OG SER A 12 3.092 -6.806 -9.820 1.00 0.00 O ATOM 0 H SER A 12 0.854 -5.742 -8.690 1.00 0.00 H new ATOM 0 HA SER A 12 3.114 -6.613 -6.908 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.581 -4.866 -9.295 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.608 -6.105 -8.600 1.00 0.00 H new ATOM 0 HG SER A 12 3.658 -6.783 -10.620 1.00 0.00 H new ATOM 196 N LEU A 13 3.338 -4.300 -5.937 1.00 0.00 N ATOM 197 CA LEU A 13 3.330 -2.966 -5.262 1.00 0.00 C ATOM 198 C LEU A 13 3.578 -1.872 -6.297 1.00 0.00 C ATOM 199 O LEU A 13 2.773 -0.970 -6.462 1.00 0.00 O ATOM 200 CB LEU A 13 4.427 -2.963 -4.194 1.00 0.00 C ATOM 201 CG LEU A 13 3.916 -3.643 -2.910 1.00 0.00 C ATOM 202 CD1 LEU A 13 2.863 -2.769 -2.248 1.00 0.00 C ATOM 203 CD2 LEU A 13 3.275 -4.997 -3.226 1.00 0.00 C ATOM 0 H LEU A 13 3.939 -4.997 -5.498 1.00 0.00 H new ATOM 0 HA LEU A 13 2.365 -2.777 -4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.309 -3.485 -4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.731 -1.939 -3.976 1.00 0.00 H new ATOM 0 HG LEU A 13 4.770 -3.788 -2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.505 -3.255 -1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.299 -1.803 -1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.029 -2.622 -2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.922 -5.457 -2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.434 -4.852 -3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.012 -5.647 -3.697 1.00 0.00 H new ATOM 215 N SER A 14 4.665 -1.944 -7.006 1.00 0.00 N ATOM 216 CA SER A 14 4.945 -0.906 -8.033 1.00 0.00 C ATOM 217 C SER A 14 3.826 -0.901 -9.090 1.00 0.00 C ATOM 218 O SER A 14 3.348 0.143 -9.504 1.00 0.00 O ATOM 219 CB SER A 14 6.282 -1.210 -8.710 1.00 0.00 C ATOM 220 OG SER A 14 7.021 -2.116 -7.901 1.00 0.00 O ATOM 0 H SER A 14 5.371 -2.675 -6.920 1.00 0.00 H new ATOM 0 HA SER A 14 4.990 0.072 -7.553 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.114 -1.640 -9.697 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.847 -0.289 -8.855 1.00 0.00 H new ATOM 0 HG SER A 14 7.878 -2.315 -8.332 1.00 0.00 H new ATOM 226 N SER A 15 3.406 -2.063 -9.532 1.00 0.00 N ATOM 227 CA SER A 15 2.323 -2.137 -10.560 1.00 0.00 C ATOM 228 C SER A 15 1.075 -1.429 -10.050 1.00 0.00 C ATOM 229 O SER A 15 0.453 -0.656 -10.750 1.00 0.00 O ATOM 230 CB SER A 15 1.990 -3.599 -10.857 1.00 0.00 C ATOM 231 OG SER A 15 3.076 -4.197 -11.552 1.00 0.00 O ATOM 0 H SER A 15 3.769 -2.965 -9.223 1.00 0.00 H new ATOM 0 HA SER A 15 2.668 -1.650 -11.472 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.798 -4.136 -9.928 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.081 -3.662 -11.456 1.00 0.00 H new ATOM 0 HG SER A 15 2.866 -5.135 -11.742 1.00 0.00 H new ATOM 237 N ILE A 16 0.722 -1.678 -8.829 1.00 0.00 N ATOM 238 CA ILE A 16 -0.470 -1.016 -8.243 1.00 0.00 C ATOM 239 C ILE A 16 -0.246 0.489 -8.311 1.00 0.00 C ATOM 240 O ILE A 16 -1.104 1.225 -8.742 1.00 0.00 O ATOM 241 CB ILE A 16 -0.652 -1.458 -6.788 1.00 0.00 C ATOM 242 CG1 ILE A 16 -1.349 -2.825 -6.748 1.00 0.00 C ATOM 243 CG2 ILE A 16 -1.520 -0.437 -6.059 1.00 0.00 C ATOM 244 CD1 ILE A 16 -0.427 -3.858 -6.097 1.00 0.00 C ATOM 0 H ILE A 16 1.211 -2.318 -8.203 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.369 -1.290 -8.795 1.00 0.00 H new ATOM 0 HB ILE A 16 0.323 -1.531 -6.307 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.281 -2.752 -6.188 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.608 -3.141 -7.758 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.653 -0.747 -5.022 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.035 0.539 -6.087 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.493 -0.373 -6.546 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.927 -4.826 -6.071 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.493 -3.940 -6.675 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.190 -3.545 -5.080 1.00 0.00 H new ATOM 256 N ALA A 17 0.915 0.947 -7.916 1.00 0.00 N ATOM 257 CA ALA A 17 1.197 2.411 -7.992 1.00 0.00 C ATOM 258 C ALA A 17 0.872 2.913 -9.397 1.00 0.00 C ATOM 259 O ALA A 17 0.256 3.942 -9.568 1.00 0.00 O ATOM 260 CB ALA A 17 2.673 2.671 -7.745 1.00 0.00 C ATOM 0 H ALA A 17 1.674 0.375 -7.547 1.00 0.00 H new ATOM 0 HA ALA A 17 0.592 2.921 -7.242 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.868 3.742 -7.803 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.946 2.305 -6.755 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.265 2.153 -8.500 1.00 0.00 H new ATOM 266 N LYS A 18 1.306 2.196 -10.403 1.00 0.00 N ATOM 267 CA LYS A 18 1.042 2.627 -11.809 1.00 0.00 C ATOM 268 C LYS A 18 -0.445 2.954 -11.994 1.00 0.00 C ATOM 269 O LYS A 18 -0.795 3.902 -12.668 1.00 0.00 O ATOM 270 CB LYS A 18 1.439 1.507 -12.772 1.00 0.00 C ATOM 271 CG LYS A 18 2.422 2.051 -13.812 1.00 0.00 C ATOM 272 CD LYS A 18 1.726 3.107 -14.676 1.00 0.00 C ATOM 273 CE LYS A 18 1.216 2.460 -15.966 1.00 0.00 C ATOM 274 NZ LYS A 18 2.355 2.257 -16.904 1.00 0.00 N ATOM 0 H LYS A 18 1.833 1.328 -10.310 1.00 0.00 H new ATOM 0 HA LYS A 18 1.631 3.519 -12.020 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.895 0.684 -12.221 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.554 1.108 -13.267 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.288 2.487 -13.315 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.790 1.239 -14.439 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.896 3.551 -14.127 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.420 3.914 -14.912 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.740 1.505 -15.743 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.459 3.093 -16.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.989 2.078 -17.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.951 3.109 -16.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.921 1.442 -16.592 1.00 0.00 H new ATOM 288 N ARG A 19 -1.318 2.187 -11.395 1.00 0.00 N ATOM 289 CA ARG A 19 -2.779 2.464 -11.539 1.00 0.00 C ATOM 290 C ARG A 19 -3.083 3.894 -11.081 1.00 0.00 C ATOM 291 O ARG A 19 -3.997 4.529 -11.569 1.00 0.00 O ATOM 292 CB ARG A 19 -3.572 1.482 -10.674 1.00 0.00 C ATOM 293 CG ARG A 19 -3.553 0.096 -11.318 1.00 0.00 C ATOM 294 CD ARG A 19 -4.334 -0.883 -10.441 1.00 0.00 C ATOM 295 NE ARG A 19 -5.787 -0.778 -10.748 1.00 0.00 N ATOM 296 CZ ARG A 19 -6.560 -0.033 -10.004 1.00 0.00 C ATOM 297 NH1 ARG A 19 -6.998 1.110 -10.458 1.00 0.00 N ATOM 298 NH2 ARG A 19 -6.893 -0.432 -8.807 1.00 0.00 N ATOM 0 H ARG A 19 -1.084 1.382 -10.813 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.063 2.348 -12.585 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.142 1.435 -9.674 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.600 1.828 -10.563 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.993 0.140 -12.314 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.525 -0.247 -11.439 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.987 -1.901 -10.617 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.158 -0.664 -9.388 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.179 -1.288 -11.540 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.737 1.421 -11.394 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.602 1.692 -9.877 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.550 -1.325 -8.453 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.497 0.149 -8.225 1.00 0.00 H new ATOM 312 N HIS A 20 -2.323 4.407 -10.152 1.00 0.00 N ATOM 313 CA HIS A 20 -2.566 5.795 -9.671 1.00 0.00 C ATOM 314 C HIS A 20 -1.361 6.685 -9.996 1.00 0.00 C ATOM 315 O HIS A 20 -1.254 7.784 -9.489 1.00 0.00 O ATOM 316 CB HIS A 20 -2.768 5.792 -8.150 1.00 0.00 C ATOM 317 CG HIS A 20 -2.918 4.384 -7.639 1.00 0.00 C ATOM 318 ND1 HIS A 20 -4.156 3.799 -7.425 1.00 0.00 N ATOM 319 CD2 HIS A 20 -1.995 3.436 -7.270 1.00 0.00 C ATOM 320 CE1 HIS A 20 -3.938 2.560 -6.948 1.00 0.00 C ATOM 321 NE2 HIS A 20 -2.642 2.292 -6.839 1.00 0.00 N ATOM 0 H HIS A 20 -1.544 3.924 -9.705 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.456 6.180 -10.168 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -1.919 6.273 -7.664 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.653 6.374 -7.894 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -5.065 4.229 -7.597 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.923 3.565 -7.310 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.723 1.866 -6.685 1.00 0.00 H new ATOM 329 N GLY A 21 -0.444 6.227 -10.820 1.00 0.00 N ATOM 330 CA GLY A 21 0.755 7.060 -11.134 1.00 0.00 C ATOM 331 C GLY A 21 1.352 7.534 -9.812 1.00 0.00 C ATOM 332 O GLY A 21 1.517 8.714 -9.575 1.00 0.00 O ATOM 0 H GLY A 21 -0.477 5.319 -11.283 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.486 6.480 -11.697 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.477 7.912 -11.755 1.00 0.00 H new ATOM 336 N VAL A 22 1.627 6.613 -8.928 1.00 0.00 N ATOM 337 CA VAL A 22 2.157 6.995 -7.592 1.00 0.00 C ATOM 338 C VAL A 22 3.545 6.396 -7.346 1.00 0.00 C ATOM 339 O VAL A 22 4.047 5.611 -8.125 1.00 0.00 O ATOM 340 CB VAL A 22 1.197 6.494 -6.521 1.00 0.00 C ATOM 341 CG1 VAL A 22 0.180 7.585 -6.207 1.00 0.00 C ATOM 342 CG2 VAL A 22 0.458 5.256 -7.011 1.00 0.00 C ATOM 0 H VAL A 22 1.506 5.611 -9.076 1.00 0.00 H new ATOM 0 HA VAL A 22 2.246 8.081 -7.554 1.00 0.00 H new ATOM 0 HB VAL A 22 1.767 6.241 -5.627 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.509 7.230 -5.441 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.699 8.473 -5.846 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.378 7.833 -7.110 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.225 4.909 -6.235 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.108 5.502 -7.909 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.177 4.470 -7.240 1.00 0.00 H new ATOM 352 N ASN A 23 4.169 6.780 -6.257 1.00 0.00 N ATOM 353 CA ASN A 23 5.528 6.256 -5.938 1.00 0.00 C ATOM 354 C ASN A 23 5.439 5.225 -4.809 1.00 0.00 C ATOM 355 O ASN A 23 5.451 5.552 -3.631 1.00 0.00 O ATOM 356 CB ASN A 23 6.424 7.414 -5.497 1.00 0.00 C ATOM 357 CG ASN A 23 7.319 7.843 -6.661 1.00 0.00 C ATOM 358 OD1 ASN A 23 8.066 7.048 -7.193 1.00 0.00 O ATOM 359 ND2 ASN A 23 7.272 9.077 -7.082 1.00 0.00 N ATOM 0 H ASN A 23 3.790 7.437 -5.575 1.00 0.00 H new ATOM 0 HA ASN A 23 5.947 5.780 -6.825 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.813 8.254 -5.166 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.036 7.111 -4.647 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.863 9.374 -7.858 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.644 9.745 -6.635 1.00 0.00 H new ATOM 366 N ILE A 24 5.363 3.976 -5.153 1.00 0.00 N ATOM 367 CA ILE A 24 5.282 2.933 -4.101 1.00 0.00 C ATOM 368 C ILE A 24 6.430 3.127 -3.108 1.00 0.00 C ATOM 369 O ILE A 24 6.331 2.747 -1.960 1.00 0.00 O ATOM 370 CB ILE A 24 5.343 1.558 -4.747 1.00 0.00 C ATOM 371 CG1 ILE A 24 4.200 1.449 -5.733 1.00 0.00 C ATOM 372 CG2 ILE A 24 5.158 0.479 -3.700 1.00 0.00 C ATOM 373 CD1 ILE A 24 2.861 1.567 -4.985 1.00 0.00 C ATOM 0 H ILE A 24 5.353 3.632 -6.113 1.00 0.00 H new ATOM 0 HA ILE A 24 4.339 3.016 -3.560 1.00 0.00 H new ATOM 0 HB ILE A 24 6.309 1.432 -5.236 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.279 2.234 -6.485 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.251 0.496 -6.260 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.204 -0.501 -4.175 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.948 0.557 -2.953 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.189 0.603 -3.217 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.039 1.488 -5.696 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.783 0.766 -4.250 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.811 2.531 -4.478 1.00 0.00 H new ATOM 385 N LYS A 25 7.501 3.757 -3.518 1.00 0.00 N ATOM 386 CA LYS A 25 8.604 4.015 -2.557 1.00 0.00 C ATOM 387 C LYS A 25 8.047 4.922 -1.460 1.00 0.00 C ATOM 388 O LYS A 25 8.307 4.728 -0.291 1.00 0.00 O ATOM 389 CB LYS A 25 9.777 4.704 -3.253 1.00 0.00 C ATOM 390 CG LYS A 25 9.279 5.886 -4.092 1.00 0.00 C ATOM 391 CD LYS A 25 10.473 6.634 -4.684 1.00 0.00 C ATOM 392 CE LYS A 25 11.167 7.438 -3.584 1.00 0.00 C ATOM 393 NZ LYS A 25 11.551 8.779 -4.111 1.00 0.00 N ATOM 0 H LYS A 25 7.655 4.099 -4.467 1.00 0.00 H new ATOM 0 HA LYS A 25 8.970 3.076 -2.142 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.495 5.053 -2.511 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.300 3.991 -3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.628 5.530 -4.890 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.685 6.559 -3.474 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.173 5.928 -5.130 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.140 7.299 -5.481 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.503 7.549 -2.727 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.052 6.906 -3.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.023 9.324 -3.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.200 8.663 -4.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.699 9.286 -4.424 1.00 0.00 H new ATOM 407 N ASP A 26 7.235 5.886 -1.828 1.00 0.00 N ATOM 408 CA ASP A 26 6.616 6.761 -0.799 1.00 0.00 C ATOM 409 C ASP A 26 5.753 5.865 0.060 1.00 0.00 C ATOM 410 O ASP A 26 5.723 5.974 1.272 1.00 0.00 O ATOM 411 CB ASP A 26 5.743 7.838 -1.440 1.00 0.00 C ATOM 412 CG ASP A 26 6.573 8.686 -2.406 1.00 0.00 C ATOM 413 OD1 ASP A 26 7.790 8.603 -2.346 1.00 0.00 O ATOM 414 OD2 ASP A 26 5.976 9.411 -3.183 1.00 0.00 O ATOM 0 H ASP A 26 6.980 6.098 -2.792 1.00 0.00 H new ATOM 0 HA ASP A 26 7.388 7.268 -0.220 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.913 7.374 -1.973 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.310 8.473 -0.667 1.00 0.00 H new ATOM 419 N VAL A 27 5.076 4.942 -0.564 1.00 0.00 N ATOM 420 CA VAL A 27 4.248 3.989 0.227 1.00 0.00 C ATOM 421 C VAL A 27 5.161 3.286 1.232 1.00 0.00 C ATOM 422 O VAL A 27 4.835 3.150 2.398 1.00 0.00 O ATOM 423 CB VAL A 27 3.616 2.953 -0.691 1.00 0.00 C ATOM 424 CG1 VAL A 27 2.649 2.093 0.119 1.00 0.00 C ATOM 425 CG2 VAL A 27 2.865 3.675 -1.803 1.00 0.00 C ATOM 0 H VAL A 27 5.059 4.806 -1.575 1.00 0.00 H new ATOM 0 HA VAL A 27 3.453 4.529 0.741 1.00 0.00 H new ATOM 0 HB VAL A 27 4.384 2.314 -1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.192 1.348 -0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.192 1.591 0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.872 2.725 0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.407 2.943 -2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.089 4.305 -1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.561 4.294 -2.369 1.00 0.00 H new ATOM 435 N MET A 28 6.326 2.874 0.797 1.00 0.00 N ATOM 436 CA MET A 28 7.277 2.220 1.733 1.00 0.00 C ATOM 437 C MET A 28 7.867 3.298 2.649 1.00 0.00 C ATOM 438 O MET A 28 8.472 3.013 3.661 1.00 0.00 O ATOM 439 CB MET A 28 8.399 1.546 0.942 1.00 0.00 C ATOM 440 CG MET A 28 7.793 0.637 -0.131 1.00 0.00 C ATOM 441 SD MET A 28 8.227 -1.084 0.220 1.00 0.00 S ATOM 442 CE MET A 28 8.047 -1.710 -1.468 1.00 0.00 C ATOM 0 H MET A 28 6.654 2.964 -0.164 1.00 0.00 H new ATOM 0 HA MET A 28 6.762 1.463 2.325 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.035 2.300 0.478 1.00 0.00 H new ATOM 0 HB3 MET A 28 9.032 0.964 1.612 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.709 0.753 -0.151 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.163 0.923 -1.116 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.272 -2.776 -1.487 1.00 0.00 H new ATOM 0 HE2 MET A 28 7.024 -1.549 -1.809 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.736 -1.182 -2.127 1.00 0.00 H new ATOM 452 N ARG A 29 7.685 4.542 2.294 1.00 0.00 N ATOM 453 CA ARG A 29 8.216 5.649 3.136 1.00 0.00 C ATOM 454 C ARG A 29 7.344 5.790 4.385 1.00 0.00 C ATOM 455 O ARG A 29 7.843 5.949 5.481 1.00 0.00 O ATOM 456 CB ARG A 29 8.183 6.955 2.340 1.00 0.00 C ATOM 457 CG ARG A 29 9.151 7.961 2.960 1.00 0.00 C ATOM 458 CD ARG A 29 9.001 9.311 2.257 1.00 0.00 C ATOM 459 NE ARG A 29 9.414 9.181 0.830 1.00 0.00 N ATOM 460 CZ ARG A 29 10.220 10.061 0.300 1.00 0.00 C ATOM 461 NH1 ARG A 29 10.049 11.333 0.538 1.00 0.00 N ATOM 462 NH2 ARG A 29 11.198 9.667 -0.472 1.00 0.00 N ATOM 0 H ARG A 29 7.189 4.838 1.453 1.00 0.00 H new ATOM 0 HA ARG A 29 9.243 5.430 3.428 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.455 6.766 1.302 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.173 7.364 2.335 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.947 8.069 4.025 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.176 7.602 2.866 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.967 9.651 2.317 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.613 10.062 2.756 1.00 0.00 H new ATOM 0 HE ARG A 29 9.067 8.404 0.268 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.285 11.641 1.139 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.680 12.019 0.123 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.331 8.673 -0.660 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.828 10.353 -0.887 1.00 0.00 H new ATOM 476 N TRP A 30 6.044 5.724 4.237 1.00 0.00 N ATOM 477 CA TRP A 30 5.165 5.849 5.440 1.00 0.00 C ATOM 478 C TRP A 30 5.073 4.496 6.139 1.00 0.00 C ATOM 479 O TRP A 30 5.055 4.416 7.352 1.00 0.00 O ATOM 480 CB TRP A 30 3.765 6.307 5.028 1.00 0.00 C ATOM 481 CG TRP A 30 3.881 7.474 4.110 1.00 0.00 C ATOM 482 CD1 TRP A 30 4.343 8.698 4.453 1.00 0.00 C ATOM 483 CD2 TRP A 30 3.543 7.544 2.702 1.00 0.00 C ATOM 484 NE1 TRP A 30 4.313 9.514 3.336 1.00 0.00 N ATOM 485 CE2 TRP A 30 3.827 8.845 2.232 1.00 0.00 C ATOM 486 CE3 TRP A 30 3.025 6.606 1.799 1.00 0.00 C ATOM 487 CZ2 TRP A 30 3.603 9.204 0.903 1.00 0.00 C ATOM 488 CZ3 TRP A 30 2.798 6.961 0.465 1.00 0.00 C ATOM 489 CH2 TRP A 30 3.087 8.257 0.016 1.00 0.00 C ATOM 0 H TRP A 30 5.559 5.591 3.349 1.00 0.00 H new ATOM 0 HA TRP A 30 5.592 6.588 6.118 1.00 0.00 H new ATOM 0 HB2 TRP A 30 3.234 5.493 4.535 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.184 6.579 5.909 1.00 0.00 H new ATOM 0 HD1 TRP A 30 4.680 8.990 5.437 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.613 10.489 3.330 1.00 0.00 H new ATOM 0 HE3 TRP A 30 2.800 5.604 2.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.826 10.205 0.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 2.397 6.232 -0.223 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.911 8.523 -1.016 1.00 0.00 H new ATOM 500 N ASN A 31 5.018 3.426 5.391 1.00 0.00 N ATOM 501 CA ASN A 31 4.933 2.087 6.034 1.00 0.00 C ATOM 502 C ASN A 31 6.302 1.416 6.000 1.00 0.00 C ATOM 503 O ASN A 31 6.974 1.403 4.992 1.00 0.00 O ATOM 504 CB ASN A 31 3.930 1.213 5.288 1.00 0.00 C ATOM 505 CG ASN A 31 2.619 1.978 5.099 1.00 0.00 C ATOM 506 OD1 ASN A 31 1.740 1.916 5.937 1.00 0.00 O ATOM 507 ND2 ASN A 31 2.447 2.707 4.028 1.00 0.00 N ATOM 0 H ASN A 31 5.028 3.423 4.371 1.00 0.00 H new ATOM 0 HA ASN A 31 4.608 2.211 7.067 1.00 0.00 H new ATOM 0 HB2 ASN A 31 4.336 0.923 4.319 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.749 0.294 5.845 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.577 3.223 3.896 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.183 2.760 3.324 1.00 0.00 H new ATOM 514 N SER A 32 6.710 0.846 7.095 1.00 0.00 N ATOM 515 CA SER A 32 8.033 0.162 7.132 1.00 0.00 C ATOM 516 C SER A 32 7.828 -1.316 6.844 1.00 0.00 C ATOM 517 O SER A 32 7.974 -1.770 5.726 1.00 0.00 O ATOM 518 CB SER A 32 8.669 0.344 8.512 1.00 0.00 C ATOM 519 OG SER A 32 9.662 1.358 8.440 1.00 0.00 O ATOM 0 H SER A 32 6.185 0.823 7.969 1.00 0.00 H new ATOM 0 HA SER A 32 8.696 0.593 6.382 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.908 0.615 9.243 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.113 -0.593 8.847 1.00 0.00 H new ATOM 0 HG SER A 32 10.071 1.479 9.322 1.00 0.00 H new ATOM 525 N ASP A 33 7.467 -2.063 7.837 1.00 0.00 N ATOM 526 CA ASP A 33 7.220 -3.513 7.625 1.00 0.00 C ATOM 527 C ASP A 33 5.919 -3.657 6.842 1.00 0.00 C ATOM 528 O ASP A 33 4.840 -3.529 7.385 1.00 0.00 O ATOM 529 CB ASP A 33 7.091 -4.220 8.976 1.00 0.00 C ATOM 530 CG ASP A 33 7.364 -5.714 8.798 1.00 0.00 C ATOM 531 OD1 ASP A 33 6.564 -6.370 8.149 1.00 0.00 O ATOM 532 OD2 ASP A 33 8.368 -6.178 9.312 1.00 0.00 O ATOM 0 H ASP A 33 7.330 -1.735 8.793 1.00 0.00 H new ATOM 0 HA ASP A 33 8.047 -3.963 7.076 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.795 -3.793 9.690 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.092 -4.068 9.384 1.00 0.00 H new ATOM 537 N THR A 34 6.007 -3.894 5.564 1.00 0.00 N ATOM 538 CA THR A 34 4.771 -4.018 4.745 1.00 0.00 C ATOM 539 C THR A 34 4.217 -5.443 4.825 1.00 0.00 C ATOM 540 O THR A 34 3.855 -6.038 3.826 1.00 0.00 O ATOM 541 CB THR A 34 5.093 -3.671 3.292 1.00 0.00 C ATOM 542 OG1 THR A 34 6.329 -4.271 2.926 1.00 0.00 O ATOM 543 CG2 THR A 34 5.194 -2.152 3.140 1.00 0.00 C ATOM 0 H THR A 34 6.881 -4.007 5.051 1.00 0.00 H new ATOM 0 HA THR A 34 4.018 -3.331 5.131 1.00 0.00 H new ATOM 0 HB THR A 34 4.302 -4.046 2.643 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.536 -4.051 1.994 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.424 -1.905 2.104 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.245 -1.694 3.421 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.985 -1.773 3.787 1.00 0.00 H new ATOM 551 N ALA A 35 4.114 -5.987 6.010 1.00 0.00 N ATOM 552 CA ALA A 35 3.556 -7.358 6.149 1.00 0.00 C ATOM 553 C ALA A 35 2.067 -7.333 5.790 1.00 0.00 C ATOM 554 O ALA A 35 1.440 -8.363 5.640 1.00 0.00 O ATOM 555 CB ALA A 35 3.729 -7.841 7.589 1.00 0.00 C ATOM 0 H ALA A 35 4.392 -5.540 6.883 1.00 0.00 H new ATOM 0 HA ALA A 35 4.083 -8.037 5.479 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.319 -8.846 7.687 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.789 -7.855 7.843 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.203 -7.167 8.265 1.00 0.00 H new ATOM 561 N ASN A 36 1.499 -6.165 5.638 1.00 0.00 N ATOM 562 CA ASN A 36 0.064 -6.078 5.276 1.00 0.00 C ATOM 563 C ASN A 36 -0.094 -6.215 3.758 1.00 0.00 C ATOM 564 O ASN A 36 -1.184 -6.119 3.240 1.00 0.00 O ATOM 565 CB ASN A 36 -0.493 -4.726 5.725 1.00 0.00 C ATOM 566 CG ASN A 36 -1.901 -4.915 6.296 1.00 0.00 C ATOM 567 OD1 ASN A 36 -2.327 -6.025 6.544 1.00 0.00 O ATOM 568 ND2 ASN A 36 -2.647 -3.867 6.517 1.00 0.00 N ATOM 0 H ASN A 36 1.973 -5.269 5.750 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.483 -6.881 5.770 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.160 -4.284 6.478 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -0.521 -4.035 4.883 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.586 -3.981 6.898 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.290 -2.934 6.309 1.00 0.00 H new ATOM 575 N LEU A 37 0.971 -6.445 3.030 1.00 0.00 N ATOM 576 CA LEU A 37 0.822 -6.592 1.555 1.00 0.00 C ATOM 577 C LEU A 37 0.555 -8.064 1.250 1.00 0.00 C ATOM 578 O LEU A 37 1.356 -8.744 0.641 1.00 0.00 O ATOM 579 CB LEU A 37 2.096 -6.147 0.833 1.00 0.00 C ATOM 580 CG LEU A 37 2.193 -4.619 0.811 1.00 0.00 C ATOM 581 CD1 LEU A 37 1.866 -4.037 2.188 1.00 0.00 C ATOM 582 CD2 LEU A 37 3.613 -4.212 0.419 1.00 0.00 C ATOM 0 H LEU A 37 1.922 -6.536 3.389 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.001 -5.967 1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.970 -6.566 1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.097 -6.532 -0.187 1.00 0.00 H new ATOM 0 HG LEU A 37 1.475 -4.232 0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.941 -2.950 2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.853 -4.322 2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.571 -4.424 2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.688 -3.125 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.320 -4.613 1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.845 -4.608 -0.570 1.00 0.00 H new ATOM 594 N GLN A 38 -0.576 -8.552 1.671 1.00 0.00 N ATOM 595 CA GLN A 38 -0.934 -9.965 1.425 1.00 0.00 C ATOM 596 C GLN A 38 -2.035 -9.973 0.383 1.00 0.00 C ATOM 597 O GLN A 38 -2.644 -8.949 0.137 1.00 0.00 O ATOM 598 CB GLN A 38 -1.442 -10.595 2.724 1.00 0.00 C ATOM 599 CG GLN A 38 -0.260 -10.865 3.656 1.00 0.00 C ATOM 600 CD GLN A 38 0.486 -12.113 3.182 1.00 0.00 C ATOM 601 OE1 GLN A 38 1.395 -12.025 2.380 1.00 0.00 O ATOM 602 NE2 GLN A 38 0.138 -13.282 3.647 1.00 0.00 N ATOM 0 H GLN A 38 -1.277 -8.017 2.184 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.072 -10.535 1.079 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.156 -9.929 3.209 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.968 -11.525 2.508 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.413 -10.007 3.666 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.613 -11.005 4.678 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.625 -13.357 4.320 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.629 -14.121 3.337 1.00 0.00 H new ATOM 611 N PRO A 39 -2.267 -11.111 -0.203 1.00 0.00 N ATOM 612 CA PRO A 39 -3.297 -11.240 -1.229 1.00 0.00 C ATOM 613 C PRO A 39 -4.677 -11.090 -0.593 1.00 0.00 C ATOM 614 O PRO A 39 -5.326 -12.048 -0.227 1.00 0.00 O ATOM 615 CB PRO A 39 -3.061 -12.633 -1.820 1.00 0.00 C ATOM 616 CG PRO A 39 -2.267 -13.421 -0.752 1.00 0.00 C ATOM 617 CD PRO A 39 -1.554 -12.365 0.115 1.00 0.00 C ATOM 0 HA PRO A 39 -3.250 -10.476 -2.005 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.006 -13.126 -2.046 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -2.503 -12.571 -2.754 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.932 -14.037 -0.147 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.547 -14.093 -1.219 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.622 -12.606 1.176 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.494 -12.296 -0.129 1.00 0.00 H new ATOM 625 N GLY A 40 -5.110 -9.867 -0.454 1.00 0.00 N ATOM 626 CA GLY A 40 -6.430 -9.590 0.163 1.00 0.00 C ATOM 627 C GLY A 40 -6.278 -8.537 1.274 1.00 0.00 C ATOM 628 O GLY A 40 -7.176 -8.349 2.070 1.00 0.00 O ATOM 0 H GLY A 40 -4.594 -9.038 -0.748 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.128 -9.234 -0.595 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.848 -10.508 0.575 1.00 0.00 H new ATOM 632 N ASP A 41 -5.160 -7.844 1.349 1.00 0.00 N ATOM 633 CA ASP A 41 -5.008 -6.820 2.428 1.00 0.00 C ATOM 634 C ASP A 41 -4.964 -5.425 1.806 1.00 0.00 C ATOM 635 O ASP A 41 -4.578 -5.260 0.669 1.00 0.00 O ATOM 636 CB ASP A 41 -3.714 -7.077 3.195 1.00 0.00 C ATOM 637 CG ASP A 41 -3.943 -8.151 4.261 1.00 0.00 C ATOM 638 OD1 ASP A 41 -5.059 -8.633 4.362 1.00 0.00 O ATOM 639 OD2 ASP A 41 -2.996 -8.471 4.959 1.00 0.00 O ATOM 0 H ASP A 41 -4.363 -7.943 0.720 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.854 -6.885 3.112 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.931 -7.396 2.507 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.370 -6.155 3.664 1.00 0.00 H new ATOM 644 N LYS A 42 -5.363 -4.417 2.540 1.00 0.00 N ATOM 645 CA LYS A 42 -5.359 -3.033 1.984 1.00 0.00 C ATOM 646 C LYS A 42 -3.965 -2.414 2.116 1.00 0.00 C ATOM 647 O LYS A 42 -3.145 -2.856 2.896 1.00 0.00 O ATOM 648 CB LYS A 42 -6.366 -2.183 2.755 1.00 0.00 C ATOM 649 CG LYS A 42 -7.772 -2.437 2.210 1.00 0.00 C ATOM 650 CD LYS A 42 -8.797 -2.219 3.324 1.00 0.00 C ATOM 651 CE LYS A 42 -8.957 -3.511 4.129 1.00 0.00 C ATOM 652 NZ LYS A 42 -10.405 -3.796 4.323 1.00 0.00 N ATOM 0 H LYS A 42 -5.692 -4.495 3.502 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.631 -3.069 0.929 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.326 -2.427 3.817 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.114 -1.127 2.661 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.977 -1.766 1.376 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.847 -3.455 1.826 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.474 -1.409 3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.755 -1.922 2.898 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.479 -4.340 3.607 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.461 -3.414 5.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.516 -4.674 4.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.848 -3.009 4.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.865 -3.905 3.396 1.00 0.00 H new ATOM 666 N LEU A 43 -3.688 -1.405 1.333 1.00 0.00 N ATOM 667 CA LEU A 43 -2.350 -0.759 1.378 1.00 0.00 C ATOM 668 C LEU A 43 -2.489 0.760 1.244 1.00 0.00 C ATOM 669 O LEU A 43 -3.233 1.254 0.419 1.00 0.00 O ATOM 670 CB LEU A 43 -1.523 -1.278 0.212 1.00 0.00 C ATOM 671 CG LEU A 43 -0.297 -2.025 0.736 1.00 0.00 C ATOM 672 CD1 LEU A 43 0.722 -2.134 -0.387 1.00 0.00 C ATOM 673 CD2 LEU A 43 0.333 -1.267 1.907 1.00 0.00 C ATOM 0 H LEU A 43 -4.339 -1.000 0.660 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.870 -0.991 2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.127 -1.942 -0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.211 -0.448 -0.422 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.600 -3.014 1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.604 -2.665 -0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.285 -2.680 -1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.009 -1.135 -0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.205 -1.813 2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.638 -0.274 1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.395 -1.173 2.713 1.00 0.00 H new ATOM 685 N THR A 44 -1.776 1.498 2.048 1.00 0.00 N ATOM 686 CA THR A 44 -1.855 2.978 1.978 1.00 0.00 C ATOM 687 C THR A 44 -1.147 3.493 0.724 1.00 0.00 C ATOM 688 O THR A 44 0.018 3.227 0.505 1.00 0.00 O ATOM 689 CB THR A 44 -1.169 3.585 3.207 1.00 0.00 C ATOM 690 OG1 THR A 44 -2.134 3.804 4.226 1.00 0.00 O ATOM 691 CG2 THR A 44 -0.510 4.921 2.828 1.00 0.00 C ATOM 0 H THR A 44 -1.138 1.133 2.755 1.00 0.00 H new ATOM 0 HA THR A 44 -2.906 3.267 1.946 1.00 0.00 H new ATOM 0 HB THR A 44 -0.404 2.898 3.569 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.697 4.191 5.013 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.024 5.349 3.705 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.232 4.752 2.048 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.270 5.611 2.462 1.00 0.00 H new ATOM 699 N LEU A 45 -1.826 4.264 -0.074 1.00 0.00 N ATOM 700 CA LEU A 45 -1.177 4.840 -1.279 1.00 0.00 C ATOM 701 C LEU A 45 -1.171 6.357 -1.115 1.00 0.00 C ATOM 702 O LEU A 45 -1.636 7.085 -1.970 1.00 0.00 O ATOM 703 CB LEU A 45 -1.945 4.478 -2.554 1.00 0.00 C ATOM 704 CG LEU A 45 -1.435 3.162 -3.138 1.00 0.00 C ATOM 705 CD1 LEU A 45 -2.501 2.608 -4.072 1.00 0.00 C ATOM 706 CD2 LEU A 45 -0.159 3.413 -3.943 1.00 0.00 C ATOM 0 H LEU A 45 -2.805 4.520 0.057 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.167 4.440 -1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.009 4.395 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.834 5.275 -3.289 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.222 2.459 -2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.156 1.667 -4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.421 2.437 -3.513 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.691 3.323 -4.873 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.201 2.471 -4.357 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.372 4.109 -4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.605 3.838 -3.291 1.00 0.00 H new ATOM 718 N PHE A 46 -0.631 6.844 -0.019 1.00 0.00 N ATOM 719 CA PHE A 46 -0.569 8.320 0.195 1.00 0.00 C ATOM 720 C PHE A 46 0.141 8.940 -1.002 1.00 0.00 C ATOM 721 O PHE A 46 0.009 10.115 -1.282 1.00 0.00 O ATOM 722 CB PHE A 46 0.227 8.630 1.465 1.00 0.00 C ATOM 723 CG PHE A 46 -0.698 8.736 2.652 1.00 0.00 C ATOM 724 CD1 PHE A 46 -1.930 9.388 2.535 1.00 0.00 C ATOM 725 CD2 PHE A 46 -0.312 8.184 3.878 1.00 0.00 C ATOM 726 CE1 PHE A 46 -2.778 9.486 3.644 1.00 0.00 C ATOM 727 CE2 PHE A 46 -1.157 8.278 4.987 1.00 0.00 C ATOM 728 CZ PHE A 46 -2.392 8.931 4.871 1.00 0.00 C ATOM 0 H PHE A 46 -0.233 6.281 0.732 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.576 8.724 0.301 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.965 7.847 1.640 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.776 9.563 1.339 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.227 9.816 1.589 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.641 7.684 3.968 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.729 9.989 3.554 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.859 7.848 5.932 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.046 9.006 5.727 1.00 0.00 H new ATOM 738 N VAL A 47 0.899 8.129 -1.696 1.00 0.00 N ATOM 739 CA VAL A 47 1.652 8.567 -2.892 1.00 0.00 C ATOM 740 C VAL A 47 0.838 9.584 -3.694 1.00 0.00 C ATOM 741 O VAL A 47 1.354 10.578 -4.165 1.00 0.00 O ATOM 742 CB VAL A 47 1.953 7.324 -3.737 1.00 0.00 C ATOM 743 CG1 VAL A 47 3.204 6.635 -3.211 1.00 0.00 C ATOM 744 CG2 VAL A 47 0.804 6.310 -3.654 1.00 0.00 C ATOM 0 H VAL A 47 1.026 7.143 -1.466 1.00 0.00 H new ATOM 0 HA VAL A 47 2.582 9.054 -2.598 1.00 0.00 H new ATOM 0 HB VAL A 47 2.086 7.652 -4.768 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.414 5.752 -3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.048 7.322 -3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.047 6.337 -2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.044 5.438 -4.263 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.665 6.002 -2.618 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.113 6.769 -4.023 1.00 0.00 H new ATOM 754 N LYS A 48 -0.429 9.350 -3.829 1.00 0.00 N ATOM 755 CA LYS A 48 -1.297 10.305 -4.575 1.00 0.00 C ATOM 756 C LYS A 48 -2.367 10.842 -3.623 1.00 0.00 C ATOM 757 O LYS A 48 -2.452 12.051 -3.480 1.00 0.00 O ATOM 758 CB LYS A 48 -1.963 9.583 -5.749 1.00 0.00 C ATOM 759 CG LYS A 48 -3.163 10.392 -6.245 1.00 0.00 C ATOM 760 CD LYS A 48 -2.700 11.786 -6.677 1.00 0.00 C ATOM 761 CE LYS A 48 -3.628 12.320 -7.770 1.00 0.00 C ATOM 762 NZ LYS A 48 -5.046 12.032 -7.408 1.00 0.00 N ATOM 763 OXT LYS A 48 -3.079 10.036 -3.046 1.00 0.00 O ATOM 0 H LYS A 48 -0.910 8.533 -3.454 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.698 11.130 -4.961 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.245 9.447 -6.558 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.286 8.589 -5.440 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.638 9.880 -7.082 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.910 10.474 -5.456 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.702 12.462 -5.822 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.675 11.742 -7.046 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.484 13.394 -7.891 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.385 11.856 -8.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.668 12.739 -7.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.305 11.084 -7.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.155 12.072 -6.375 1.00 0.00 H new TER 777 LYS A 48