USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 614 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 37 ASN : amide:sc= 0.992 K(o=0.98,f=-0.0032) USER MOD Set 1.2: A 59 ASN : amide:sc=-0.00755 X(o=0.98,f=0.98) USER MOD Set 2.1: A 17 TYR OH : rot -178:sc= 1.25 USER MOD Set 2.2: A 22 ASN : amide:sc= 0 K(o=1.2,f=0.5) USER MOD Single : A 1 SER N :NH3+ 180:sc= 1.83 (180deg=1.83) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 164:sc= 1.28 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.741 K(o=-0.74,f=-7.6!) USER MOD Single : A 29 GLN : amide:sc= 0.602 K(o=0.6,f=0.054) USER MOD Single : A 33 TYR OH : rot -165:sc= 0.565 USER MOD Single : A 35 THR OG1 : rot -66:sc= 0.424 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.56 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 179:sc= 1.23 (180deg=1.23) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -7.691 14.217 -33.841 1.00 0.00 N ATOM 2 CA SER A 1 -8.241 14.461 -32.492 1.00 0.00 C ATOM 3 C SER A 1 -8.054 15.916 -32.064 1.00 0.00 C ATOM 4 O SER A 1 -6.932 16.415 -32.063 1.00 0.00 O ATOM 5 CB SER A 1 -7.587 13.529 -31.470 1.00 0.00 C ATOM 6 OG SER A 1 -7.759 12.188 -31.901 1.00 0.00 O ATOM 0 H1 SER A 1 -7.835 13.220 -34.099 1.00 0.00 H new ATOM 0 H2 SER A 1 -8.177 14.827 -34.529 1.00 0.00 H new ATOM 0 H3 SER A 1 -6.674 14.432 -33.845 1.00 0.00 H new ATOM 0 HA SER A 1 -9.311 14.255 -32.532 1.00 0.00 H new ATOM 0 HB2 SER A 1 -6.527 13.761 -31.371 1.00 0.00 H new ATOM 0 HB3 SER A 1 -8.037 13.671 -30.487 1.00 0.00 H new ATOM 0 HG SER A 1 -7.342 11.581 -31.255 1.00 0.00 H new ATOM 14 N MET A 2 -9.100 16.664 -31.694 1.00 0.00 N ATOM 15 CA MET A 2 -10.537 16.312 -31.738 1.00 0.00 C ATOM 16 C MET A 2 -11.171 16.477 -33.137 1.00 0.00 C ATOM 17 O MET A 2 -12.187 15.846 -33.432 1.00 0.00 O ATOM 18 CB MET A 2 -11.298 17.095 -30.647 1.00 0.00 C ATOM 19 CG MET A 2 -11.225 18.629 -30.724 1.00 0.00 C ATOM 20 SD MET A 2 -12.177 19.414 -32.055 1.00 0.00 S ATOM 21 CE MET A 2 -11.804 21.155 -31.709 1.00 0.00 C ATOM 0 H MET A 2 -8.960 17.605 -31.327 1.00 0.00 H new ATOM 0 HA MET A 2 -10.621 15.246 -31.526 1.00 0.00 H new ATOM 0 HB2 MET A 2 -12.347 16.801 -30.686 1.00 0.00 H new ATOM 0 HB3 MET A 2 -10.916 16.784 -29.675 1.00 0.00 H new ATOM 0 HG2 MET A 2 -11.568 19.036 -29.773 1.00 0.00 H new ATOM 0 HG3 MET A 2 -10.180 18.917 -30.836 1.00 0.00 H new ATOM 0 HE1 MET A 2 -12.312 21.788 -32.437 1.00 0.00 H new ATOM 0 HE2 MET A 2 -12.148 21.408 -30.706 1.00 0.00 H new ATOM 0 HE3 MET A 2 -10.728 21.317 -31.776 1.00 0.00 H new ATOM 31 N ALA A 3 -10.530 17.255 -34.017 1.00 0.00 N ATOM 32 CA ALA A 3 -10.834 17.337 -35.449 1.00 0.00 C ATOM 33 C ALA A 3 -10.263 16.126 -36.224 1.00 0.00 C ATOM 34 O ALA A 3 -9.611 15.254 -35.645 1.00 0.00 O ATOM 35 CB ALA A 3 -10.282 18.678 -35.961 1.00 0.00 C ATOM 0 H ALA A 3 -9.760 17.865 -33.742 1.00 0.00 H new ATOM 0 HA ALA A 3 -11.911 17.299 -35.613 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -10.490 18.774 -37.027 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -10.759 19.497 -35.423 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -9.205 18.714 -35.797 1.00 0.00 H new ATOM 41 N ASP A 4 -10.470 16.076 -37.543 1.00 0.00 N ATOM 42 CA ASP A 4 -9.940 15.011 -38.418 1.00 0.00 C ATOM 43 C ASP A 4 -8.396 15.007 -38.517 1.00 0.00 C ATOM 44 O ASP A 4 -7.783 13.958 -38.740 1.00 0.00 O ATOM 45 CB ASP A 4 -10.585 15.166 -39.802 1.00 0.00 C ATOM 46 CG ASP A 4 -10.214 14.017 -40.757 1.00 0.00 C ATOM 47 OD1 ASP A 4 -10.698 12.878 -40.549 1.00 0.00 O ATOM 48 OD2 ASP A 4 -9.465 14.256 -41.734 1.00 0.00 O ATOM 0 H ASP A 4 -11.015 16.778 -38.044 1.00 0.00 H new ATOM 0 HA ASP A 4 -10.197 14.047 -37.979 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -11.669 15.207 -39.692 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -10.273 16.114 -40.241 1.00 0.00 H new ATOM 53 N ARG A 5 -7.760 16.169 -38.305 1.00 0.00 N ATOM 54 CA ARG A 5 -6.297 16.342 -38.233 1.00 0.00 C ATOM 55 C ARG A 5 -5.687 15.761 -36.953 1.00 0.00 C ATOM 56 O ARG A 5 -6.343 15.746 -35.911 1.00 0.00 O ATOM 57 CB ARG A 5 -5.942 17.833 -38.355 1.00 0.00 C ATOM 58 CG ARG A 5 -6.034 18.322 -39.804 1.00 0.00 C ATOM 59 CD ARG A 5 -5.591 19.788 -39.899 1.00 0.00 C ATOM 60 NE ARG A 5 -5.422 20.217 -41.298 1.00 0.00 N ATOM 61 CZ ARG A 5 -4.375 19.966 -42.063 1.00 0.00 C ATOM 62 NH1 ARG A 5 -3.354 19.269 -41.660 1.00 0.00 N ATOM 63 NH2 ARG A 5 -4.317 20.407 -43.287 1.00 0.00 N ATOM 0 H ARG A 5 -8.265 17.045 -38.174 1.00 0.00 H new ATOM 0 HA ARG A 5 -5.869 15.784 -39.066 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -6.615 18.419 -37.730 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.932 17.998 -37.979 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.406 17.703 -40.445 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -7.057 18.220 -40.165 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.329 20.424 -39.410 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -4.652 19.920 -39.362 1.00 0.00 H new ATOM 0 HE ARG A 5 -6.182 20.756 -41.713 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -3.338 18.888 -40.714 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -2.569 19.103 -42.290 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.088 20.955 -43.669 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -3.501 20.204 -43.864 1.00 0.00 H new ATOM 77 N VAL A 6 -4.416 15.353 -37.059 1.00 0.00 N ATOM 78 CA VAL A 6 -3.485 14.837 -36.031 1.00 0.00 C ATOM 79 C VAL A 6 -4.019 13.705 -35.134 1.00 0.00 C ATOM 80 O VAL A 6 -4.983 13.859 -34.387 1.00 0.00 O ATOM 81 CB VAL A 6 -2.776 15.981 -35.269 1.00 0.00 C ATOM 82 CG1 VAL A 6 -3.687 16.850 -34.397 1.00 0.00 C ATOM 83 CG2 VAL A 6 -1.617 15.446 -34.418 1.00 0.00 C ATOM 0 H VAL A 6 -3.957 15.377 -37.970 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.716 14.312 -36.597 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.403 16.633 -36.059 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.093 17.621 -33.907 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.448 17.319 -35.021 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.169 16.229 -33.642 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.138 16.273 -33.894 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.000 14.729 -33.691 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.889 14.955 -35.063 1.00 0.00 H new ATOM 93 N LEU A 7 -3.349 12.549 -35.142 1.00 0.00 N ATOM 94 CA LEU A 7 -3.770 11.330 -34.421 1.00 0.00 C ATOM 95 C LEU A 7 -3.446 11.345 -32.905 1.00 0.00 C ATOM 96 O LEU A 7 -3.422 10.293 -32.258 1.00 0.00 O ATOM 97 CB LEU A 7 -3.203 10.085 -35.140 1.00 0.00 C ATOM 98 CG LEU A 7 -3.592 9.934 -36.625 1.00 0.00 C ATOM 99 CD1 LEU A 7 -2.967 8.658 -37.191 1.00 0.00 C ATOM 100 CD2 LEU A 7 -5.105 9.858 -36.838 1.00 0.00 C ATOM 0 H LEU A 7 -2.479 12.425 -35.659 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.859 11.293 -34.452 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.116 10.111 -35.069 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.536 9.196 -34.604 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.221 10.822 -37.137 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.243 8.552 -38.240 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.882 8.715 -37.105 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.330 7.796 -36.632 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.318 9.752 -37.902 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.505 8.998 -36.301 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.571 10.769 -36.463 1.00 0.00 H new ATOM 112 N ARG A 8 -3.176 12.526 -32.335 1.00 0.00 N ATOM 113 CA ARG A 8 -2.814 12.763 -30.924 1.00 0.00 C ATOM 114 C ARG A 8 -3.274 14.158 -30.471 1.00 0.00 C ATOM 115 O ARG A 8 -3.712 14.968 -31.288 1.00 0.00 O ATOM 116 CB ARG A 8 -1.287 12.555 -30.771 1.00 0.00 C ATOM 117 CG ARG A 8 -0.897 12.005 -29.387 1.00 0.00 C ATOM 118 CD ARG A 8 0.566 11.542 -29.336 1.00 0.00 C ATOM 119 NE ARG A 8 1.521 12.668 -29.378 1.00 0.00 N ATOM 120 CZ ARG A 8 2.017 13.334 -28.352 1.00 0.00 C ATOM 121 NH1 ARG A 8 1.685 13.079 -27.116 1.00 0.00 N ATOM 122 NH2 ARG A 8 2.876 14.285 -28.556 1.00 0.00 N ATOM 0 H ARG A 8 -3.205 13.393 -32.872 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.325 12.054 -30.273 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -0.939 11.867 -31.542 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -0.777 13.504 -30.937 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.058 12.776 -28.633 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.549 11.169 -29.133 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.729 10.966 -28.425 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.761 10.874 -30.175 1.00 0.00 H new ATOM 0 HE ARG A 8 1.832 12.964 -30.303 1.00 0.00 H new ATOM 0 HH11 ARG A 8 1.015 12.338 -26.910 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.095 13.621 -26.356 1.00 0.00 H new ATOM 0 HH21 ARG A 8 3.166 14.515 -29.507 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.262 14.802 -27.766 1.00 0.00 H new ATOM 136 N GLY A 9 -3.180 14.457 -29.173 1.00 0.00 N ATOM 137 CA GLY A 9 -3.576 15.755 -28.599 1.00 0.00 C ATOM 138 C GLY A 9 -2.673 16.944 -28.975 1.00 0.00 C ATOM 139 O GLY A 9 -3.072 18.096 -28.793 1.00 0.00 O ATOM 0 H GLY A 9 -2.823 13.800 -28.479 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.594 15.979 -28.917 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.594 15.663 -27.513 1.00 0.00 H new ATOM 143 N SER A 10 -1.482 16.695 -29.522 1.00 0.00 N ATOM 144 CA SER A 10 -0.449 17.699 -29.820 1.00 0.00 C ATOM 145 C SER A 10 -0.749 18.602 -31.031 1.00 0.00 C ATOM 146 O SER A 10 -1.241 18.156 -32.068 1.00 0.00 O ATOM 147 CB SER A 10 0.899 16.992 -30.014 1.00 0.00 C ATOM 148 OG SER A 10 0.775 15.917 -30.929 1.00 0.00 O ATOM 0 H SER A 10 -1.195 15.751 -29.782 1.00 0.00 H new ATOM 0 HA SER A 10 -0.427 18.372 -28.962 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.639 17.704 -30.380 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.261 16.620 -29.056 1.00 0.00 H new ATOM 0 HG SER A 10 1.664 15.649 -31.241 1.00 0.00 H new ATOM 154 N ARG A 11 -0.401 19.890 -30.895 1.00 0.00 N ATOM 155 CA ARG A 11 -0.233 20.892 -31.970 1.00 0.00 C ATOM 156 C ARG A 11 0.658 22.044 -31.481 1.00 0.00 C ATOM 157 O ARG A 11 0.806 22.234 -30.270 1.00 0.00 O ATOM 158 CB ARG A 11 -1.581 21.408 -32.523 1.00 0.00 C ATOM 159 CG ARG A 11 -2.578 21.980 -31.494 1.00 0.00 C ATOM 160 CD ARG A 11 -3.535 20.933 -30.904 1.00 0.00 C ATOM 161 NE ARG A 11 -4.449 20.393 -31.930 1.00 0.00 N ATOM 162 CZ ARG A 11 -5.062 19.228 -31.928 1.00 0.00 C ATOM 163 NH1 ARG A 11 -4.893 18.320 -31.013 1.00 0.00 N ATOM 164 NH2 ARG A 11 -5.903 18.940 -32.868 1.00 0.00 N ATOM 0 H ARG A 11 -0.217 20.290 -29.975 1.00 0.00 H new ATOM 0 HA ARG A 11 0.261 20.398 -32.807 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.372 22.182 -33.261 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.069 20.588 -33.050 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.019 22.446 -30.682 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.164 22.766 -31.969 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.959 20.119 -30.465 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.116 21.383 -30.099 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.626 20.993 -32.735 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.253 18.491 -30.237 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.400 17.437 -31.071 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.090 19.615 -33.609 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.379 18.038 -32.868 1.00 0.00 H new ATOM 178 N LEU A 12 1.263 22.790 -32.408 1.00 0.00 N ATOM 179 CA LEU A 12 2.273 23.823 -32.110 1.00 0.00 C ATOM 180 C LEU A 12 2.170 25.086 -32.991 1.00 0.00 C ATOM 181 O LEU A 12 2.507 26.178 -32.532 1.00 0.00 O ATOM 182 CB LEU A 12 3.665 23.162 -32.242 1.00 0.00 C ATOM 183 CG LEU A 12 4.865 24.025 -31.806 1.00 0.00 C ATOM 184 CD1 LEU A 12 4.830 24.367 -30.315 1.00 0.00 C ATOM 185 CD2 LEU A 12 6.163 23.271 -32.096 1.00 0.00 C ATOM 0 H LEU A 12 1.066 22.696 -33.404 1.00 0.00 H new ATOM 0 HA LEU A 12 2.098 24.188 -31.098 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.668 22.246 -31.652 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.810 22.871 -33.282 1.00 0.00 H new ATOM 0 HG LEU A 12 4.812 24.957 -32.369 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.698 24.976 -30.061 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.919 24.922 -30.090 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.848 23.447 -29.730 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.014 23.879 -31.789 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.170 22.332 -31.543 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.232 23.064 -33.164 1.00 0.00 H new ATOM 197 N GLY A 13 1.725 24.958 -34.247 1.00 0.00 N ATOM 198 CA GLY A 13 1.721 26.053 -35.229 1.00 0.00 C ATOM 199 C GLY A 13 3.106 26.411 -35.800 1.00 0.00 C ATOM 200 O GLY A 13 3.256 27.466 -36.420 1.00 0.00 O ATOM 0 H GLY A 13 1.353 24.083 -34.615 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.062 25.781 -36.054 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.295 26.941 -34.761 1.00 0.00 H new ATOM 204 N ALA A 14 4.118 25.562 -35.580 1.00 0.00 N ATOM 205 CA ALA A 14 5.508 25.747 -36.014 1.00 0.00 C ATOM 206 C ALA A 14 6.179 24.410 -36.406 1.00 0.00 C ATOM 207 O ALA A 14 5.621 23.332 -36.185 1.00 0.00 O ATOM 208 CB ALA A 14 6.275 26.456 -34.888 1.00 0.00 C ATOM 0 H ALA A 14 3.984 24.688 -35.072 1.00 0.00 H new ATOM 0 HA ALA A 14 5.524 26.361 -36.914 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.312 26.603 -35.191 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.815 27.423 -34.687 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.244 25.845 -33.986 1.00 0.00 H new ATOM 214 N VAL A 15 7.378 24.487 -36.992 1.00 0.00 N ATOM 215 CA VAL A 15 8.179 23.336 -37.465 1.00 0.00 C ATOM 216 C VAL A 15 8.789 22.496 -36.323 1.00 0.00 C ATOM 217 O VAL A 15 8.758 22.890 -35.156 1.00 0.00 O ATOM 218 CB VAL A 15 9.268 23.795 -38.463 1.00 0.00 C ATOM 219 CG1 VAL A 15 8.646 24.432 -39.712 1.00 0.00 C ATOM 220 CG2 VAL A 15 10.273 24.780 -37.850 1.00 0.00 C ATOM 0 H VAL A 15 7.840 25.381 -37.159 1.00 0.00 H new ATOM 0 HA VAL A 15 7.483 22.675 -37.982 1.00 0.00 H new ATOM 0 HB VAL A 15 9.810 22.890 -38.737 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.437 24.744 -40.394 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.004 23.705 -40.210 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.054 25.300 -39.421 1.00 0.00 H new ATOM 0 HG21 VAL A 15 11.010 25.063 -38.602 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.746 25.670 -37.505 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.777 24.308 -37.007 1.00 0.00 H new ATOM 230 N SER A 16 9.365 21.335 -36.670 1.00 0.00 N ATOM 231 CA SER A 16 9.927 20.324 -35.751 1.00 0.00 C ATOM 232 C SER A 16 8.886 19.749 -34.772 1.00 0.00 C ATOM 233 O SER A 16 8.873 20.034 -33.570 1.00 0.00 O ATOM 234 CB SER A 16 11.204 20.846 -35.076 1.00 0.00 C ATOM 235 OG SER A 16 11.958 19.763 -34.551 1.00 0.00 O ATOM 0 H SER A 16 9.458 21.059 -37.647 1.00 0.00 H new ATOM 0 HA SER A 16 10.224 19.463 -36.350 1.00 0.00 H new ATOM 0 HB2 SER A 16 11.804 21.401 -35.797 1.00 0.00 H new ATOM 0 HB3 SER A 16 10.944 21.539 -34.276 1.00 0.00 H new ATOM 0 HG SER A 16 12.771 20.107 -34.124 1.00 0.00 H new ATOM 241 N TYR A 17 7.968 18.951 -35.327 1.00 0.00 N ATOM 242 CA TYR A 17 6.808 18.346 -34.656 1.00 0.00 C ATOM 243 C TYR A 17 6.409 17.012 -35.332 1.00 0.00 C ATOM 244 O TYR A 17 7.137 16.486 -36.177 1.00 0.00 O ATOM 245 CB TYR A 17 5.648 19.365 -34.651 1.00 0.00 C ATOM 246 CG TYR A 17 4.972 19.597 -35.993 1.00 0.00 C ATOM 247 CD1 TYR A 17 5.655 20.277 -37.018 1.00 0.00 C ATOM 248 CD2 TYR A 17 3.651 19.157 -36.209 1.00 0.00 C ATOM 249 CE1 TYR A 17 5.041 20.502 -38.262 1.00 0.00 C ATOM 250 CE2 TYR A 17 3.018 19.409 -37.442 1.00 0.00 C ATOM 251 CZ TYR A 17 3.717 20.072 -38.476 1.00 0.00 C ATOM 252 OH TYR A 17 3.123 20.285 -39.676 1.00 0.00 O ATOM 0 H TYR A 17 8.015 18.694 -36.313 1.00 0.00 H new ATOM 0 HA TYR A 17 7.063 18.103 -33.625 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.895 19.028 -33.939 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.028 20.319 -34.286 1.00 0.00 H new ATOM 0 HD1 TYR A 17 6.661 20.630 -36.847 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.124 18.627 -35.430 1.00 0.00 H new ATOM 0 HE1 TYR A 17 5.582 21.003 -39.051 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.996 19.095 -37.597 1.00 0.00 H new ATOM 0 HH TYR A 17 2.201 19.955 -39.647 1.00 0.00 H new ATOM 262 N GLU A 18 5.242 16.456 -34.988 1.00 0.00 N ATOM 263 CA GLU A 18 4.726 15.172 -35.509 1.00 0.00 C ATOM 264 C GLU A 18 4.227 15.211 -36.977 1.00 0.00 C ATOM 265 O GLU A 18 3.758 14.202 -37.508 1.00 0.00 O ATOM 266 CB GLU A 18 3.679 14.617 -34.524 1.00 0.00 C ATOM 267 CG GLU A 18 4.350 14.141 -33.224 1.00 0.00 C ATOM 268 CD GLU A 18 3.325 13.853 -32.117 1.00 0.00 C ATOM 269 OE1 GLU A 18 2.748 12.743 -32.058 1.00 0.00 O ATOM 270 OE2 GLU A 18 3.111 14.735 -31.252 1.00 0.00 O ATOM 0 H GLU A 18 4.607 16.895 -34.321 1.00 0.00 H new ATOM 0 HA GLU A 18 5.569 14.483 -35.567 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.942 15.388 -34.297 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.142 13.789 -34.986 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.929 13.240 -33.424 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.051 14.901 -32.879 1.00 0.00 H new ATOM 277 N THR A 19 4.394 16.348 -37.666 1.00 0.00 N ATOM 278 CA THR A 19 4.252 16.526 -39.127 1.00 0.00 C ATOM 279 C THR A 19 2.841 16.225 -39.668 1.00 0.00 C ATOM 280 O THR A 19 2.661 15.638 -40.736 1.00 0.00 O ATOM 281 CB THR A 19 5.406 15.851 -39.909 1.00 0.00 C ATOM 282 OG1 THR A 19 6.650 16.101 -39.278 1.00 0.00 O ATOM 283 CG2 THR A 19 5.597 16.397 -41.330 1.00 0.00 C ATOM 0 H THR A 19 4.646 17.219 -37.198 1.00 0.00 H new ATOM 0 HA THR A 19 4.358 17.594 -39.315 1.00 0.00 H new ATOM 0 HB THR A 19 5.126 14.798 -39.935 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.367 15.666 -39.785 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.423 15.875 -41.813 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.684 16.242 -41.905 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.820 17.463 -41.283 1.00 0.00 H new ATOM 291 N ASP A 20 1.808 16.679 -38.950 1.00 0.00 N ATOM 292 CA ASP A 20 0.483 16.926 -39.537 1.00 0.00 C ATOM 293 C ASP A 20 0.538 18.236 -40.349 1.00 0.00 C ATOM 294 O ASP A 20 0.566 19.325 -39.773 1.00 0.00 O ATOM 295 CB ASP A 20 -0.586 16.963 -38.431 1.00 0.00 C ATOM 296 CG ASP A 20 -2.004 17.086 -39.013 1.00 0.00 C ATOM 297 OD1 ASP A 20 -2.472 18.223 -39.259 1.00 0.00 O ATOM 298 OD2 ASP A 20 -2.657 16.040 -39.229 1.00 0.00 O ATOM 0 H ASP A 20 1.864 16.885 -37.953 1.00 0.00 H new ATOM 0 HA ASP A 20 0.206 16.118 -40.214 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.517 16.057 -37.828 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.392 17.804 -37.765 1.00 0.00 H new ATOM 303 N ARG A 21 0.654 18.155 -41.681 1.00 0.00 N ATOM 304 CA ARG A 21 0.945 19.313 -42.553 1.00 0.00 C ATOM 305 C ARG A 21 -0.308 20.182 -42.769 1.00 0.00 C ATOM 306 O ARG A 21 -1.246 19.724 -43.422 1.00 0.00 O ATOM 307 CB ARG A 21 1.540 18.798 -43.877 1.00 0.00 C ATOM 308 CG ARG A 21 2.045 19.941 -44.771 1.00 0.00 C ATOM 309 CD ARG A 21 2.684 19.388 -46.050 1.00 0.00 C ATOM 310 NE ARG A 21 3.179 20.475 -46.918 1.00 0.00 N ATOM 311 CZ ARG A 21 3.774 20.339 -48.090 1.00 0.00 C ATOM 312 NH1 ARG A 21 3.992 19.169 -48.626 1.00 0.00 N ATOM 313 NH2 ARG A 21 4.168 21.387 -48.756 1.00 0.00 N ATOM 0 H ARG A 21 0.549 17.279 -42.193 1.00 0.00 H new ATOM 0 HA ARG A 21 1.677 19.962 -42.072 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.363 18.116 -43.662 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.784 18.226 -44.415 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.217 20.601 -45.029 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.773 20.541 -44.225 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.509 18.725 -45.789 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.953 18.790 -46.594 1.00 0.00 H new ATOM 0 HE ARG A 21 3.048 21.428 -46.578 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.700 18.322 -48.138 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.454 19.102 -49.533 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.018 22.321 -48.373 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.627 21.274 -49.660 1.00 0.00 H new ATOM 327 N ASN A 22 -0.414 21.417 -42.269 1.00 0.00 N ATOM 328 CA ASN A 22 0.516 22.188 -41.431 1.00 0.00 C ATOM 329 C ASN A 22 -0.231 22.775 -40.210 1.00 0.00 C ATOM 330 O ASN A 22 -0.624 23.946 -40.207 1.00 0.00 O ATOM 331 CB ASN A 22 1.186 23.251 -42.329 1.00 0.00 C ATOM 332 CG ASN A 22 2.242 24.090 -41.620 1.00 0.00 C ATOM 333 OD1 ASN A 22 2.666 23.823 -40.504 1.00 0.00 O ATOM 334 ND2 ASN A 22 2.724 25.129 -42.262 1.00 0.00 N ATOM 0 H ASN A 22 -1.251 21.966 -42.464 1.00 0.00 H new ATOM 0 HA ASN A 22 1.303 21.561 -41.013 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.646 22.752 -43.182 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.416 23.914 -42.725 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.446 25.706 -41.830 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.377 25.359 -43.193 1.00 0.00 H new ATOM 341 N HIS A 23 -0.438 21.929 -39.191 1.00 0.00 N ATOM 342 CA HIS A 23 -1.285 22.139 -38.001 1.00 0.00 C ATOM 343 C HIS A 23 -2.776 22.389 -38.312 1.00 0.00 C ATOM 344 O HIS A 23 -3.185 22.542 -39.465 1.00 0.00 O ATOM 345 CB HIS A 23 -0.668 23.193 -37.059 1.00 0.00 C ATOM 346 CG HIS A 23 0.699 22.810 -36.548 1.00 0.00 C ATOM 347 ND1 HIS A 23 0.951 22.055 -35.398 1.00 0.00 N ATOM 348 CD2 HIS A 23 1.888 23.118 -37.141 1.00 0.00 C ATOM 349 CE1 HIS A 23 2.283 21.882 -35.361 1.00 0.00 C ATOM 350 NE2 HIS A 23 2.870 22.534 -36.375 1.00 0.00 N ATOM 0 H HIS A 23 0.013 21.014 -39.172 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.296 21.190 -37.465 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.598 24.144 -37.586 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -1.335 23.347 -36.211 1.00 0.00 H new ATOM 0 HD2 HIS A 23 2.031 23.705 -38.036 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.808 21.299 -34.618 1.00 0.00 H new ATOM 0 HE2 HIS A 23 3.874 22.588 -36.549 1.00 0.00 H new ATOM 358 N ASP A 24 -3.610 22.383 -37.269 1.00 0.00 N ATOM 359 CA ASP A 24 -5.067 22.554 -37.336 1.00 0.00 C ATOM 360 C ASP A 24 -5.565 23.888 -36.754 1.00 0.00 C ATOM 361 O ASP A 24 -4.883 24.544 -35.961 1.00 0.00 O ATOM 362 CB ASP A 24 -5.763 21.365 -36.658 1.00 0.00 C ATOM 363 CG ASP A 24 -5.621 21.333 -35.128 1.00 0.00 C ATOM 364 OD1 ASP A 24 -4.496 21.453 -34.593 1.00 0.00 O ATOM 365 OD2 ASP A 24 -6.640 21.097 -34.443 1.00 0.00 O ATOM 0 H ASP A 24 -3.276 22.254 -36.314 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.330 22.583 -38.393 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.823 21.387 -36.912 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.357 20.440 -37.068 1.00 0.00 H new ATOM 370 N LEU A 25 -6.786 24.271 -37.141 1.00 0.00 N ATOM 371 CA LEU A 25 -7.527 25.412 -36.603 1.00 0.00 C ATOM 372 C LEU A 25 -8.960 24.985 -36.240 1.00 0.00 C ATOM 373 O LEU A 25 -9.612 24.259 -36.996 1.00 0.00 O ATOM 374 CB LEU A 25 -7.550 26.589 -37.601 1.00 0.00 C ATOM 375 CG LEU A 25 -6.188 27.270 -37.863 1.00 0.00 C ATOM 376 CD1 LEU A 25 -5.424 26.647 -39.038 1.00 0.00 C ATOM 377 CD2 LEU A 25 -6.401 28.746 -38.211 1.00 0.00 C ATOM 0 H LEU A 25 -7.304 23.774 -37.866 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.018 25.753 -35.702 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.944 26.228 -38.551 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.247 27.341 -37.232 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.608 27.140 -36.949 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.476 27.168 -39.173 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.233 25.594 -38.831 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.019 26.736 -39.947 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.436 29.219 -38.394 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.019 28.823 -39.105 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.899 29.247 -37.381 1.00 0.00 H new ATOM 389 N ALA A 26 -9.453 25.470 -35.100 1.00 0.00 N ATOM 390 CA ALA A 26 -10.811 25.244 -34.597 1.00 0.00 C ATOM 391 C ALA A 26 -11.512 26.594 -34.307 1.00 0.00 C ATOM 392 O ALA A 26 -11.094 27.293 -33.378 1.00 0.00 O ATOM 393 CB ALA A 26 -10.712 24.351 -33.351 1.00 0.00 C ATOM 0 H ALA A 26 -8.896 26.054 -34.476 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.424 24.738 -35.343 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.711 24.167 -32.955 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.247 23.402 -33.619 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.108 24.850 -32.593 1.00 0.00 H new ATOM 399 N PRO A 27 -12.553 26.990 -35.071 1.00 0.00 N ATOM 400 CA PRO A 27 -13.261 28.264 -34.887 1.00 0.00 C ATOM 401 C PRO A 27 -13.997 28.366 -33.536 1.00 0.00 C ATOM 402 O PRO A 27 -15.097 27.830 -33.359 1.00 0.00 O ATOM 403 CB PRO A 27 -14.199 28.394 -36.098 1.00 0.00 C ATOM 404 CG PRO A 27 -13.504 27.563 -37.171 1.00 0.00 C ATOM 405 CD PRO A 27 -12.936 26.408 -36.352 1.00 0.00 C ATOM 0 HA PRO A 27 -12.558 29.096 -34.844 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -15.196 28.013 -35.877 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -14.316 29.433 -36.407 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -14.200 27.218 -37.936 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.722 28.126 -37.681 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.677 25.620 -36.219 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.078 25.958 -36.851 1.00 0.00 H new ATOM 413 N ARG A 28 -13.376 29.054 -32.569 1.00 0.00 N ATOM 414 CA ARG A 28 -13.905 29.294 -31.215 1.00 0.00 C ATOM 415 C ARG A 28 -13.613 30.700 -30.666 1.00 0.00 C ATOM 416 O ARG A 28 -12.794 31.440 -31.208 1.00 0.00 O ATOM 417 CB ARG A 28 -13.425 28.170 -30.278 1.00 0.00 C ATOM 418 CG ARG A 28 -11.931 28.239 -29.927 1.00 0.00 C ATOM 419 CD ARG A 28 -11.514 27.012 -29.109 1.00 0.00 C ATOM 420 NE ARG A 28 -10.077 27.056 -28.772 1.00 0.00 N ATOM 421 CZ ARG A 28 -9.433 26.236 -27.961 1.00 0.00 C ATOM 422 NH1 ARG A 28 -10.028 25.246 -27.356 1.00 0.00 N ATOM 423 NH2 ARG A 28 -8.160 26.397 -27.737 1.00 0.00 N ATOM 0 H ARG A 28 -12.458 29.475 -32.711 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.993 29.266 -31.274 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.006 28.208 -29.356 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.633 27.208 -30.746 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.339 28.292 -30.841 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.726 29.148 -29.361 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.103 26.965 -28.193 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.730 26.105 -29.674 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.526 27.794 -29.210 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.024 25.084 -27.502 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.497 24.634 -26.737 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.655 27.159 -28.189 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.668 25.761 -27.110 1.00 0.00 H new ATOM 437 N GLN A 29 -14.288 31.039 -29.568 1.00 0.00 N ATOM 438 CA GLN A 29 -14.229 32.302 -28.828 1.00 0.00 C ATOM 439 C GLN A 29 -14.121 32.002 -27.330 1.00 0.00 C ATOM 440 O GLN A 29 -15.068 31.532 -26.706 1.00 0.00 O ATOM 441 CB GLN A 29 -15.499 33.144 -29.065 1.00 0.00 C ATOM 442 CG GLN A 29 -15.849 33.424 -30.537 1.00 0.00 C ATOM 443 CD GLN A 29 -17.232 32.897 -30.894 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.092 33.607 -31.396 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.475 31.631 -30.637 1.00 0.00 N ATOM 0 H GLN A 29 -14.943 30.386 -29.138 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.361 32.862 -29.177 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.343 32.634 -28.601 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.381 34.098 -28.551 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.809 34.497 -30.723 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.104 32.960 -31.183 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.751 31.047 -30.218 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.388 31.232 -30.856 1.00 0.00 H new ATOM 454 N ILE A 30 -12.970 32.279 -26.738 1.00 0.00 N ATOM 455 CA ILE A 30 -12.758 32.172 -25.290 1.00 0.00 C ATOM 456 C ILE A 30 -13.159 33.510 -24.652 1.00 0.00 C ATOM 457 O ILE A 30 -12.451 34.507 -24.806 1.00 0.00 O ATOM 458 CB ILE A 30 -11.298 31.791 -24.947 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.677 30.716 -25.868 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.230 31.359 -23.471 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.437 29.392 -25.964 1.00 0.00 C ATOM 0 H ILE A 30 -12.143 32.588 -27.249 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.376 31.369 -24.888 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.692 32.680 -25.119 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.587 31.134 -26.871 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.666 30.507 -25.518 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.205 31.088 -23.218 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.555 32.183 -22.835 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.882 30.500 -23.313 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.908 28.717 -26.637 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.505 28.939 -24.975 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.440 29.575 -26.349 1.00 0.00 H new ATOM 473 N ALA A 31 -14.290 33.543 -23.950 1.00 0.00 N ATOM 474 CA ALA A 31 -14.707 34.678 -23.126 1.00 0.00 C ATOM 475 C ALA A 31 -14.333 34.462 -21.650 1.00 0.00 C ATOM 476 O ALA A 31 -14.026 33.345 -21.226 1.00 0.00 O ATOM 477 CB ALA A 31 -16.211 34.896 -23.322 1.00 0.00 C ATOM 0 H ALA A 31 -14.954 32.769 -23.937 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.179 35.579 -23.439 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.539 35.739 -22.714 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.415 35.105 -24.372 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.751 33.999 -23.019 1.00 0.00 H new ATOM 483 N ARG A 32 -14.396 35.528 -20.849 1.00 0.00 N ATOM 484 CA ARG A 32 -14.303 35.480 -19.380 1.00 0.00 C ATOM 485 C ARG A 32 -15.593 35.982 -18.740 1.00 0.00 C ATOM 486 O ARG A 32 -16.299 36.806 -19.323 1.00 0.00 O ATOM 487 CB ARG A 32 -13.065 36.256 -18.888 1.00 0.00 C ATOM 488 CG ARG A 32 -11.825 35.348 -18.867 1.00 0.00 C ATOM 489 CD ARG A 32 -10.511 36.121 -18.668 1.00 0.00 C ATOM 490 NE ARG A 32 -10.044 36.138 -17.265 1.00 0.00 N ATOM 491 CZ ARG A 32 -10.284 37.037 -16.326 1.00 0.00 C ATOM 492 NH1 ARG A 32 -11.090 38.045 -16.498 1.00 0.00 N ATOM 493 NH2 ARG A 32 -9.703 36.933 -15.167 1.00 0.00 N ATOM 0 H ARG A 32 -14.516 36.475 -21.209 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.176 34.443 -19.070 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.884 37.111 -19.539 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.250 36.649 -17.889 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.933 34.615 -18.067 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.774 34.792 -19.803 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.738 35.676 -19.295 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.647 37.147 -19.010 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.459 35.351 -16.984 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.570 38.168 -17.390 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.242 38.712 -15.741 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.064 36.159 -14.984 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.886 37.625 -14.441 1.00 0.00 H new ATOM 507 N TYR A 33 -15.857 35.516 -17.520 1.00 0.00 N ATOM 508 CA TYR A 33 -16.974 35.953 -16.681 1.00 0.00 C ATOM 509 C TYR A 33 -16.557 36.036 -15.205 1.00 0.00 C ATOM 510 O TYR A 33 -15.806 35.194 -14.714 1.00 0.00 O ATOM 511 CB TYR A 33 -18.173 35.014 -16.840 1.00 0.00 C ATOM 512 CG TYR A 33 -18.777 34.926 -18.224 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.191 34.115 -19.214 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.956 35.632 -18.504 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.806 33.994 -20.474 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.564 35.526 -19.764 1.00 0.00 C ATOM 517 CZ TYR A 33 -20.013 34.673 -20.736 1.00 0.00 C ATOM 518 OH TYR A 33 -20.685 34.471 -21.894 1.00 0.00 O ATOM 0 H TYR A 33 -15.282 34.802 -17.074 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.266 36.950 -17.011 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.866 34.013 -16.536 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.951 35.333 -16.147 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.272 33.587 -19.007 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.398 36.261 -17.745 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.353 33.381 -21.240 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.453 36.098 -19.986 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.350 35.181 -22.015 1.00 0.00 H new ATOM 528 N ARG A 34 -17.056 37.055 -14.498 1.00 0.00 N ATOM 529 CA ARG A 34 -16.785 37.357 -13.082 1.00 0.00 C ATOM 530 C ARG A 34 -18.003 37.033 -12.219 1.00 0.00 C ATOM 531 O ARG A 34 -19.090 37.543 -12.482 1.00 0.00 O ATOM 532 CB ARG A 34 -16.378 38.835 -12.964 1.00 0.00 C ATOM 533 CG ARG A 34 -16.008 39.226 -11.524 1.00 0.00 C ATOM 534 CD ARG A 34 -15.587 40.699 -11.410 1.00 0.00 C ATOM 535 NE ARG A 34 -16.657 41.641 -11.805 1.00 0.00 N ATOM 536 CZ ARG A 34 -17.763 41.945 -11.145 1.00 0.00 C ATOM 537 NH1 ARG A 34 -18.088 41.384 -10.015 1.00 0.00 N ATOM 538 NH2 ARG A 34 -18.582 42.839 -11.620 1.00 0.00 N ATOM 0 H ARG A 34 -17.695 37.730 -14.918 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.967 36.736 -12.717 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.530 39.029 -13.620 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.198 39.464 -13.309 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.860 39.042 -10.870 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.195 38.590 -11.175 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -15.289 40.907 -10.382 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.711 40.870 -12.036 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.526 42.116 -12.698 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -17.479 40.677 -9.603 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -18.952 41.651 -9.543 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -18.371 43.306 -12.502 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -19.434 43.072 -11.110 1.00 0.00 H new ATOM 552 N THR A 35 -17.817 36.209 -11.193 1.00 0.00 N ATOM 553 CA THR A 35 -18.877 35.765 -10.266 1.00 0.00 C ATOM 554 C THR A 35 -19.175 36.817 -9.198 1.00 0.00 C ATOM 555 O THR A 35 -18.513 37.855 -9.105 1.00 0.00 O ATOM 556 CB THR A 35 -18.536 34.447 -9.562 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.413 34.624 -8.753 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.289 33.297 -10.517 1.00 0.00 C ATOM 0 H THR A 35 -16.903 35.815 -10.969 1.00 0.00 H new ATOM 0 HA THR A 35 -19.756 35.613 -10.892 1.00 0.00 H new ATOM 0 HB THR A 35 -19.408 34.180 -8.965 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.631 34.806 -9.315 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.053 32.397 -9.949 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.182 33.124 -11.117 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.453 33.542 -11.173 1.00 0.00 H new ATOM 566 N ASP A 36 -20.144 36.525 -8.331 1.00 0.00 N ATOM 567 CA ASP A 36 -20.567 37.447 -7.280 1.00 0.00 C ATOM 568 C ASP A 36 -19.557 37.581 -6.125 1.00 0.00 C ATOM 569 O ASP A 36 -19.602 38.578 -5.400 1.00 0.00 O ATOM 570 CB ASP A 36 -21.964 37.035 -6.792 1.00 0.00 C ATOM 571 CG ASP A 36 -22.605 38.092 -5.873 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.903 39.211 -6.357 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.853 37.795 -4.680 1.00 0.00 O ATOM 0 H ASP A 36 -20.657 35.643 -8.338 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.611 38.448 -7.709 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.611 36.867 -7.653 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.893 36.088 -6.257 1.00 0.00 H new ATOM 578 N ASN A 37 -18.595 36.653 -5.985 1.00 0.00 N ATOM 579 CA ASN A 37 -17.491 36.822 -5.024 1.00 0.00 C ATOM 580 C ASN A 37 -16.260 37.531 -5.644 1.00 0.00 C ATOM 581 O ASN A 37 -15.223 37.659 -4.989 1.00 0.00 O ATOM 582 CB ASN A 37 -17.101 35.491 -4.367 1.00 0.00 C ATOM 583 CG ASN A 37 -18.231 34.542 -4.021 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.306 34.911 -3.567 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.991 33.267 -4.209 1.00 0.00 N ATOM 0 H ASN A 37 -18.559 35.785 -6.520 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.866 37.480 -4.241 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.414 34.971 -5.034 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.551 35.712 -3.452 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.703 32.574 -3.976 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.093 32.968 -4.588 1.00 0.00 H new ATOM 592 N GLY A 38 -16.340 37.940 -6.919 1.00 0.00 N ATOM 593 CA GLY A 38 -15.202 38.395 -7.728 1.00 0.00 C ATOM 594 C GLY A 38 -14.359 37.271 -8.330 1.00 0.00 C ATOM 595 O GLY A 38 -13.291 37.546 -8.875 1.00 0.00 O ATOM 0 H GLY A 38 -17.223 37.964 -7.429 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.576 39.024 -8.536 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.560 39.021 -7.108 1.00 0.00 H new ATOM 599 N GLU A 39 -14.800 36.014 -8.234 1.00 0.00 N ATOM 600 CA GLU A 39 -14.066 34.876 -8.803 1.00 0.00 C ATOM 601 C GLU A 39 -14.253 34.896 -10.325 1.00 0.00 C ATOM 602 O GLU A 39 -15.382 34.826 -10.807 1.00 0.00 O ATOM 603 CB GLU A 39 -14.534 33.528 -8.212 1.00 0.00 C ATOM 604 CG GLU A 39 -14.902 33.600 -6.726 1.00 0.00 C ATOM 605 CD GLU A 39 -14.690 32.317 -5.902 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.717 31.559 -6.132 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.499 32.105 -4.964 1.00 0.00 O ATOM 0 H GLU A 39 -15.668 35.756 -7.764 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.010 34.973 -8.549 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.399 33.176 -8.774 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.744 32.789 -8.346 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.319 34.399 -6.269 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.951 33.886 -6.648 1.00 0.00 H new ATOM 614 N GLU A 40 -13.174 35.006 -11.088 1.00 0.00 N ATOM 615 CA GLU A 40 -13.229 35.077 -12.554 1.00 0.00 C ATOM 616 C GLU A 40 -12.850 33.738 -13.201 1.00 0.00 C ATOM 617 O GLU A 40 -11.827 33.133 -12.861 1.00 0.00 O ATOM 618 CB GLU A 40 -12.287 36.160 -13.082 1.00 0.00 C ATOM 619 CG GLU A 40 -12.628 37.573 -12.604 1.00 0.00 C ATOM 620 CD GLU A 40 -11.645 38.565 -13.247 1.00 0.00 C ATOM 621 OE1 GLU A 40 -10.431 38.521 -12.935 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.031 39.304 -14.179 1.00 0.00 O ATOM 0 H GLU A 40 -12.227 35.049 -10.711 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.258 35.320 -12.818 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.268 35.921 -12.776 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.305 36.142 -14.172 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.652 37.827 -12.877 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.564 37.629 -11.517 1.00 0.00 H new ATOM 629 N PHE A 41 -13.661 33.303 -14.166 1.00 0.00 N ATOM 630 CA PHE A 41 -13.469 32.075 -14.942 1.00 0.00 C ATOM 631 C PHE A 41 -13.579 32.318 -16.447 1.00 0.00 C ATOM 632 O PHE A 41 -14.134 33.319 -16.901 1.00 0.00 O ATOM 633 CB PHE A 41 -14.494 31.025 -14.505 1.00 0.00 C ATOM 634 CG PHE A 41 -14.339 30.583 -13.064 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.949 31.302 -12.018 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.535 29.466 -12.763 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.745 30.900 -10.692 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.329 29.072 -11.431 1.00 0.00 C ATOM 639 CZ PHE A 41 -13.932 29.794 -10.392 1.00 0.00 C ATOM 0 H PHE A 41 -14.500 33.814 -14.439 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.459 31.715 -14.746 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.497 31.429 -14.646 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.407 30.154 -15.154 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.570 32.158 -12.237 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.073 28.908 -13.564 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.218 31.447 -9.890 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.709 28.216 -11.208 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.772 29.501 -9.365 1.00 0.00 H new ATOM 649 N GLU A 42 -13.084 31.361 -17.225 1.00 0.00 N ATOM 650 CA GLU A 42 -13.042 31.393 -18.686 1.00 0.00 C ATOM 651 C GLU A 42 -14.024 30.377 -19.284 1.00 0.00 C ATOM 652 O GLU A 42 -14.066 29.215 -18.861 1.00 0.00 O ATOM 653 CB GLU A 42 -11.618 31.132 -19.218 1.00 0.00 C ATOM 654 CG GLU A 42 -10.477 31.799 -18.430 1.00 0.00 C ATOM 655 CD GLU A 42 -9.825 30.831 -17.416 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.506 30.375 -16.465 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.617 30.520 -17.565 1.00 0.00 O ATOM 0 H GLU A 42 -12.684 30.505 -16.840 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.341 32.394 -18.997 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.446 30.056 -19.229 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.568 31.473 -20.252 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.719 32.159 -19.126 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.864 32.670 -17.901 1.00 0.00 H new ATOM 664 N VAL A 43 -14.793 30.801 -20.288 1.00 0.00 N ATOM 665 CA VAL A 43 -15.778 29.972 -21.004 1.00 0.00 C ATOM 666 C VAL A 43 -15.494 29.973 -22.518 1.00 0.00 C ATOM 667 O VAL A 43 -15.699 30.995 -23.180 1.00 0.00 O ATOM 668 CB VAL A 43 -17.223 30.423 -20.715 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.230 29.452 -21.342 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.525 30.519 -19.213 1.00 0.00 C ATOM 0 H VAL A 43 -14.750 31.758 -20.640 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.677 28.951 -20.635 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.320 31.416 -21.154 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.244 29.789 -21.126 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.081 29.420 -22.421 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.083 28.456 -20.925 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.556 30.841 -19.069 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.382 29.543 -18.750 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.852 31.242 -18.752 1.00 0.00 H new ATOM 680 N PRO A 44 -15.035 28.843 -23.090 1.00 0.00 N ATOM 681 CA PRO A 44 -14.950 28.625 -24.530 1.00 0.00 C ATOM 682 C PRO A 44 -16.337 28.475 -25.177 1.00 0.00 C ATOM 683 O PRO A 44 -17.161 27.664 -24.749 1.00 0.00 O ATOM 684 CB PRO A 44 -14.113 27.354 -24.723 1.00 0.00 C ATOM 685 CG PRO A 44 -13.401 27.149 -23.388 1.00 0.00 C ATOM 686 CD PRO A 44 -14.381 27.754 -22.391 1.00 0.00 C ATOM 0 HA PRO A 44 -14.491 29.485 -25.018 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.743 26.500 -24.971 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.399 27.471 -25.538 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.216 26.094 -23.185 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.435 27.653 -23.363 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.107 27.012 -22.057 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.862 28.115 -21.503 1.00 0.00 H new ATOM 694 N PHE A 45 -16.560 29.229 -26.248 1.00 0.00 N ATOM 695 CA PHE A 45 -17.724 29.157 -27.145 1.00 0.00 C ATOM 696 C PHE A 45 -17.305 28.779 -28.569 1.00 0.00 C ATOM 697 O PHE A 45 -16.299 29.274 -29.068 1.00 0.00 O ATOM 698 CB PHE A 45 -18.449 30.508 -27.170 1.00 0.00 C ATOM 699 CG PHE A 45 -19.294 30.785 -25.942 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.695 31.326 -24.790 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.678 30.515 -25.948 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.473 31.605 -23.657 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.453 30.781 -24.803 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.846 31.324 -23.656 1.00 0.00 C ATOM 0 H PHE A 45 -15.899 29.951 -26.536 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.393 28.385 -26.765 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.710 31.302 -27.275 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.087 30.548 -28.053 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.634 31.527 -24.778 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.144 30.104 -26.831 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -19.012 32.038 -22.782 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.512 30.568 -24.805 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.438 31.524 -22.775 1.00 0.00 H new ATOM 714 N ALA A 46 -18.098 27.975 -29.270 1.00 0.00 N ATOM 715 CA ALA A 46 -17.871 27.643 -30.679 1.00 0.00 C ATOM 716 C ALA A 46 -18.401 28.760 -31.596 1.00 0.00 C ATOM 717 O ALA A 46 -19.295 29.508 -31.205 1.00 0.00 O ATOM 718 CB ALA A 46 -18.526 26.289 -30.980 1.00 0.00 C ATOM 0 H ALA A 46 -18.926 27.529 -28.875 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.802 27.563 -30.875 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.364 26.031 -32.027 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.084 25.522 -30.344 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.596 26.351 -30.783 1.00 0.00 H new ATOM 724 N ASP A 47 -17.892 28.866 -32.824 1.00 0.00 N ATOM 725 CA ASP A 47 -18.307 29.881 -33.815 1.00 0.00 C ATOM 726 C ASP A 47 -19.804 29.807 -34.196 1.00 0.00 C ATOM 727 O ASP A 47 -20.381 30.779 -34.683 1.00 0.00 O ATOM 728 CB ASP A 47 -17.405 29.753 -35.048 1.00 0.00 C ATOM 729 CG ASP A 47 -17.617 30.885 -36.064 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.292 32.054 -35.748 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.039 30.612 -37.213 1.00 0.00 O ATOM 0 H ASP A 47 -17.165 28.241 -33.172 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.188 30.864 -33.358 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.362 29.748 -34.730 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.595 28.796 -35.533 1.00 0.00 H new ATOM 736 N ASP A 48 -20.451 28.660 -33.952 1.00 0.00 N ATOM 737 CA ASP A 48 -21.905 28.471 -34.102 1.00 0.00 C ATOM 738 C ASP A 48 -22.731 29.190 -33.005 1.00 0.00 C ATOM 739 O ASP A 48 -23.945 29.354 -33.142 1.00 0.00 O ATOM 740 CB ASP A 48 -22.182 26.961 -34.107 1.00 0.00 C ATOM 741 CG ASP A 48 -23.636 26.618 -34.480 1.00 0.00 C ATOM 742 OD1 ASP A 48 -24.051 26.904 -35.629 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.355 26.020 -33.642 1.00 0.00 O ATOM 0 H ASP A 48 -19.970 27.817 -33.638 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.223 28.926 -35.040 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.507 26.476 -34.812 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.960 26.553 -33.121 1.00 0.00 H new ATOM 748 N ALA A 49 -22.072 29.642 -31.933 1.00 0.00 N ATOM 749 CA ALA A 49 -22.630 30.394 -30.807 1.00 0.00 C ATOM 750 C ALA A 49 -22.012 31.804 -30.683 1.00 0.00 C ATOM 751 O ALA A 49 -20.928 32.076 -31.204 1.00 0.00 O ATOM 752 CB ALA A 49 -22.413 29.574 -29.528 1.00 0.00 C ATOM 0 H ALA A 49 -21.071 29.481 -31.823 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.696 30.550 -30.974 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.821 30.116 -28.675 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.917 28.612 -29.622 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.346 29.411 -29.377 1.00 0.00 H new ATOM 758 N GLU A 50 -22.681 32.698 -29.949 1.00 0.00 N ATOM 759 CA GLU A 50 -22.183 34.036 -29.589 1.00 0.00 C ATOM 760 C GLU A 50 -22.369 34.309 -28.090 1.00 0.00 C ATOM 761 O GLU A 50 -23.388 33.939 -27.506 1.00 0.00 O ATOM 762 CB GLU A 50 -22.882 35.131 -30.413 1.00 0.00 C ATOM 763 CG GLU A 50 -22.373 35.177 -31.856 1.00 0.00 C ATOM 764 CD GLU A 50 -23.137 36.232 -32.679 1.00 0.00 C ATOM 765 OE1 GLU A 50 -22.718 37.416 -32.696 1.00 0.00 O ATOM 766 OE2 GLU A 50 -24.161 35.889 -33.319 1.00 0.00 O ATOM 0 H GLU A 50 -23.611 32.509 -29.576 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.118 34.058 -29.818 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -23.957 34.953 -30.414 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.719 36.100 -29.940 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.308 35.408 -31.862 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.490 34.197 -32.318 1.00 0.00 H new ATOM 773 N ILE A 51 -21.377 34.975 -27.491 1.00 0.00 N ATOM 774 CA ILE A 51 -21.217 35.255 -26.055 1.00 0.00 C ATOM 775 C ILE A 51 -22.431 36.019 -25.499 1.00 0.00 C ATOM 776 O ILE A 51 -22.629 37.196 -25.827 1.00 0.00 O ATOM 777 CB ILE A 51 -19.921 36.056 -25.763 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.705 35.606 -26.605 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.571 36.012 -24.262 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.285 34.144 -26.443 1.00 0.00 C ATOM 0 H ILE A 51 -20.606 35.363 -28.035 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.144 34.289 -25.555 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.140 37.082 -26.058 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -18.929 35.785 -27.657 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -17.855 36.239 -26.348 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.658 36.581 -24.084 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.388 36.446 -23.685 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.419 34.978 -23.954 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.424 33.940 -27.079 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.021 33.955 -25.403 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.111 33.494 -26.732 1.00 0.00 H new ATOM 792 N PRO A 52 -23.253 35.375 -24.660 1.00 0.00 N ATOM 793 CA PRO A 52 -24.310 36.038 -23.913 1.00 0.00 C ATOM 794 C PRO A 52 -23.714 36.912 -22.798 1.00 0.00 C ATOM 795 O PRO A 52 -22.659 36.597 -22.240 1.00 0.00 O ATOM 796 CB PRO A 52 -25.181 34.903 -23.377 1.00 0.00 C ATOM 797 CG PRO A 52 -24.209 33.735 -23.222 1.00 0.00 C ATOM 798 CD PRO A 52 -23.156 33.974 -24.298 1.00 0.00 C ATOM 0 HA PRO A 52 -24.901 36.721 -24.523 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.642 35.168 -22.425 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -25.990 34.661 -24.066 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.764 33.718 -22.227 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.712 32.778 -23.363 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.159 33.737 -23.926 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.333 33.336 -25.164 1.00 0.00 H new ATOM 806 N GLY A 53 -24.410 38.000 -22.458 1.00 0.00 N ATOM 807 CA GLY A 53 -24.017 38.981 -21.431 1.00 0.00 C ATOM 808 C GLY A 53 -23.621 38.383 -20.073 1.00 0.00 C ATOM 809 O GLY A 53 -22.771 38.942 -19.376 1.00 0.00 O ATOM 0 H GLY A 53 -25.297 38.235 -22.904 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.179 39.565 -21.811 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.844 39.674 -21.278 1.00 0.00 H new ATOM 813 N THR A 54 -24.195 37.235 -19.697 1.00 0.00 N ATOM 814 CA THR A 54 -23.773 36.456 -18.527 1.00 0.00 C ATOM 815 C THR A 54 -23.789 34.939 -18.799 1.00 0.00 C ATOM 816 O THR A 54 -24.452 34.468 -19.728 1.00 0.00 O ATOM 817 CB THR A 54 -24.695 36.724 -17.317 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.030 36.368 -17.619 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.778 38.192 -16.905 1.00 0.00 C ATOM 0 H THR A 54 -24.975 36.815 -20.203 1.00 0.00 H new ATOM 0 HA THR A 54 -22.754 36.775 -18.310 1.00 0.00 H new ATOM 0 HB THR A 54 -24.252 36.133 -16.515 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.599 36.543 -16.841 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.445 38.292 -16.049 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.785 38.551 -16.635 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.163 38.782 -17.737 1.00 0.00 H new ATOM 827 N TRP A 55 -23.055 34.163 -17.991 1.00 0.00 N ATOM 828 CA TRP A 55 -22.918 32.701 -18.098 1.00 0.00 C ATOM 829 C TRP A 55 -22.502 32.068 -16.757 1.00 0.00 C ATOM 830 O TRP A 55 -21.790 32.686 -15.966 1.00 0.00 O ATOM 831 CB TRP A 55 -21.886 32.360 -19.179 1.00 0.00 C ATOM 832 CG TRP A 55 -21.842 30.923 -19.592 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.028 29.986 -19.069 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.621 30.235 -20.617 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.212 28.784 -19.717 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.196 28.873 -20.677 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.632 30.633 -21.515 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.747 27.955 -21.584 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.199 29.720 -22.426 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.758 28.384 -22.462 1.00 0.00 C ATOM 0 H TRP A 55 -22.519 34.549 -17.214 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.890 32.290 -18.370 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.093 32.968 -20.060 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.898 32.647 -18.818 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.332 30.153 -18.260 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.686 27.935 -19.512 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.978 31.656 -21.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.399 26.933 -21.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.976 30.047 -23.100 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.196 27.689 -23.163 1.00 0.00 H new ATOM 851 N LEU A 56 -22.937 30.836 -16.473 1.00 0.00 N ATOM 852 CA LEU A 56 -22.599 30.123 -15.234 1.00 0.00 C ATOM 853 C LEU A 56 -21.106 29.735 -15.190 1.00 0.00 C ATOM 854 O LEU A 56 -20.596 29.059 -16.086 1.00 0.00 O ATOM 855 CB LEU A 56 -23.520 28.896 -15.087 1.00 0.00 C ATOM 856 CG LEU A 56 -24.153 28.752 -13.694 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.216 27.655 -13.711 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.122 28.380 -12.632 1.00 0.00 C ATOM 0 H LEU A 56 -23.538 30.301 -17.100 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.764 30.786 -14.385 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.314 28.960 -15.831 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.947 27.996 -15.309 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.590 29.720 -13.447 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.658 27.561 -12.719 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.992 27.912 -14.432 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.757 26.708 -13.995 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.614 28.289 -11.664 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.657 27.430 -12.894 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.358 29.156 -12.579 1.00 0.00 H new ATOM 870 N CYS A 57 -20.407 30.142 -14.131 1.00 0.00 N ATOM 871 CA CYS A 57 -18.980 29.882 -13.933 1.00 0.00 C ATOM 872 C CYS A 57 -18.720 28.566 -13.191 1.00 0.00 C ATOM 873 O CYS A 57 -19.601 28.009 -12.530 1.00 0.00 O ATOM 874 CB CYS A 57 -18.345 31.055 -13.176 1.00 0.00 C ATOM 875 SG CYS A 57 -18.232 32.509 -14.242 1.00 0.00 S ATOM 0 H CYS A 57 -20.826 30.674 -13.369 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.523 29.784 -14.918 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.939 31.290 -12.293 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.351 30.775 -12.827 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.694 33.491 -13.581 1.00 0.00 H new ATOM 881 N ARG A 58 -17.464 28.105 -13.232 1.00 0.00 N ATOM 882 CA ARG A 58 -17.032 26.818 -12.655 1.00 0.00 C ATOM 883 C ARG A 58 -17.110 26.773 -11.118 1.00 0.00 C ATOM 884 O ARG A 58 -17.135 25.688 -10.537 1.00 0.00 O ATOM 885 CB ARG A 58 -15.618 26.448 -13.155 1.00 0.00 C ATOM 886 CG ARG A 58 -15.391 26.683 -14.662 1.00 0.00 C ATOM 887 CD ARG A 58 -13.995 26.225 -15.103 1.00 0.00 C ATOM 888 NE ARG A 58 -13.661 26.737 -16.449 1.00 0.00 N ATOM 889 CZ ARG A 58 -12.605 26.418 -17.176 1.00 0.00 C ATOM 890 NH1 ARG A 58 -11.728 25.535 -16.785 1.00 0.00 N ATOM 891 NH2 ARG A 58 -12.412 26.993 -18.325 1.00 0.00 N ATOM 0 H ARG A 58 -16.704 28.622 -13.674 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.741 26.069 -13.007 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.885 27.029 -12.595 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.431 25.398 -12.932 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.148 26.145 -15.232 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.515 27.742 -14.888 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.252 26.573 -14.385 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.951 25.136 -15.105 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.313 27.406 -16.859 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.844 25.063 -15.888 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.926 25.317 -17.376 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.075 27.690 -18.665 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.597 26.748 -18.887 1.00 0.00 H new ATOM 905 N ASN A 59 -17.213 27.937 -10.466 1.00 0.00 N ATOM 906 CA ASN A 59 -17.493 28.082 -9.029 1.00 0.00 C ATOM 907 C ASN A 59 -18.936 27.664 -8.637 1.00 0.00 C ATOM 908 O ASN A 59 -19.231 27.423 -7.467 1.00 0.00 O ATOM 909 CB ASN A 59 -17.226 29.558 -8.679 1.00 0.00 C ATOM 910 CG ASN A 59 -17.446 29.968 -7.229 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.244 29.216 -6.287 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.815 31.212 -7.010 1.00 0.00 N ATOM 0 H ASN A 59 -17.100 28.834 -10.938 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.849 27.409 -8.463 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.195 29.790 -8.945 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.865 30.178 -9.308 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.932 31.548 -6.054 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.984 31.840 -7.796 1.00 0.00 H new ATOM 919 N GLY A 60 -19.843 27.571 -9.615 1.00 0.00 N ATOM 920 CA GLY A 60 -21.275 27.315 -9.410 1.00 0.00 C ATOM 921 C GLY A 60 -22.111 28.591 -9.236 1.00 0.00 C ATOM 922 O GLY A 60 -23.276 28.509 -8.843 1.00 0.00 O ATOM 0 H GLY A 60 -19.596 27.674 -10.599 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.660 26.752 -10.260 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.400 26.686 -8.529 1.00 0.00 H new ATOM 926 N MET A 61 -21.528 29.765 -9.520 1.00 0.00 N ATOM 927 CA MET A 61 -22.175 31.077 -9.463 1.00 0.00 C ATOM 928 C MET A 61 -22.345 31.667 -10.870 1.00 0.00 C ATOM 929 O MET A 61 -21.507 31.457 -11.749 1.00 0.00 O ATOM 930 CB MET A 61 -21.348 31.986 -8.540 1.00 0.00 C ATOM 931 CG MET A 61 -22.033 33.316 -8.193 1.00 0.00 C ATOM 932 SD MET A 61 -23.696 33.209 -7.471 1.00 0.00 S ATOM 933 CE MET A 61 -23.298 32.525 -5.839 1.00 0.00 C ATOM 0 H MET A 61 -20.551 29.825 -9.808 1.00 0.00 H new ATOM 0 HA MET A 61 -23.181 30.985 -9.052 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.133 31.449 -7.616 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.391 32.196 -9.017 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.393 33.857 -7.496 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.094 33.915 -9.101 1.00 0.00 H new ATOM 0 HE1 MET A 61 -24.215 32.397 -5.265 1.00 0.00 H new ATOM 0 HE2 MET A 61 -22.807 31.559 -5.959 1.00 0.00 H new ATOM 0 HE3 MET A 61 -22.632 33.207 -5.311 1.00 0.00 H new ATOM 943 N GLU A 62 -23.415 32.427 -11.090 1.00 0.00 N ATOM 944 CA GLU A 62 -23.660 33.143 -12.348 1.00 0.00 C ATOM 945 C GLU A 62 -22.635 34.274 -12.527 1.00 0.00 C ATOM 946 O GLU A 62 -22.643 35.267 -11.793 1.00 0.00 O ATOM 947 CB GLU A 62 -25.102 33.675 -12.396 1.00 0.00 C ATOM 948 CG GLU A 62 -26.132 32.539 -12.483 1.00 0.00 C ATOM 949 CD GLU A 62 -27.566 33.098 -12.567 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.202 33.317 -11.507 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.073 33.318 -13.694 1.00 0.00 O ATOM 0 H GLU A 62 -24.147 32.567 -10.394 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.538 32.447 -13.178 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.297 34.274 -11.506 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.217 34.335 -13.256 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.926 31.923 -13.358 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.040 31.893 -11.610 1.00 0.00 H new ATOM 958 N GLY A 63 -21.725 34.107 -13.488 1.00 0.00 N ATOM 959 CA GLY A 63 -20.716 35.096 -13.853 1.00 0.00 C ATOM 960 C GLY A 63 -21.217 36.104 -14.889 1.00 0.00 C ATOM 961 O GLY A 63 -22.014 35.763 -15.765 1.00 0.00 O ATOM 0 H GLY A 63 -21.670 33.256 -14.048 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.398 35.630 -12.958 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.838 34.584 -14.247 1.00 0.00 H new ATOM 965 N THR A 64 -20.707 37.335 -14.841 1.00 0.00 N ATOM 966 CA THR A 64 -20.991 38.383 -15.838 1.00 0.00 C ATOM 967 C THR A 64 -19.783 38.662 -16.725 1.00 0.00 C ATOM 968 O THR A 64 -18.654 38.707 -16.238 1.00 0.00 O ATOM 969 CB THR A 64 -21.456 39.685 -15.168 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.591 39.444 -14.362 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.845 40.776 -16.172 1.00 0.00 C ATOM 0 H THR A 64 -20.076 37.642 -14.101 1.00 0.00 H new ATOM 0 HA THR A 64 -21.798 38.005 -16.466 1.00 0.00 H new ATOM 0 HB THR A 64 -20.605 40.030 -14.581 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.876 40.281 -13.940 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.164 41.669 -15.634 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.986 41.017 -16.798 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.662 40.419 -16.799 1.00 0.00 H new ATOM 979 N LEU A 65 -20.023 38.827 -18.027 1.00 0.00 N ATOM 980 CA LEU A 65 -19.011 38.992 -19.073 1.00 0.00 C ATOM 981 C LEU A 65 -18.143 40.242 -18.811 1.00 0.00 C ATOM 982 O LEU A 65 -18.660 41.360 -18.734 1.00 0.00 O ATOM 983 CB LEU A 65 -19.776 39.034 -20.413 1.00 0.00 C ATOM 984 CG LEU A 65 -19.001 38.866 -21.735 1.00 0.00 C ATOM 985 CD1 LEU A 65 -19.950 39.197 -22.890 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.762 39.743 -21.903 1.00 0.00 C ATOM 0 H LEU A 65 -20.973 38.850 -18.399 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.299 38.167 -19.091 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.537 38.254 -20.379 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.300 39.989 -20.460 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.645 37.836 -21.727 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.423 39.085 -23.837 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.802 38.518 -22.866 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.301 40.224 -22.789 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.300 39.538 -22.869 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.050 40.793 -21.854 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -17.051 39.524 -21.107 1.00 0.00 H new ATOM 998 N ILE A 66 -16.826 40.049 -18.699 1.00 0.00 N ATOM 999 CA ILE A 66 -15.801 41.105 -18.591 1.00 0.00 C ATOM 1000 C ILE A 66 -14.750 40.989 -19.704 1.00 0.00 C ATOM 1001 O ILE A 66 -14.517 39.907 -20.246 1.00 0.00 O ATOM 1002 CB ILE A 66 -15.120 41.155 -17.200 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -14.217 39.945 -16.863 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -16.140 41.433 -16.083 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -14.923 38.610 -16.690 1.00 0.00 C ATOM 0 H ILE A 66 -16.421 39.113 -18.680 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.334 42.048 -18.715 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.430 41.997 -17.262 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -13.475 39.840 -17.654 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -13.674 40.167 -15.944 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.628 41.461 -15.121 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.625 42.392 -16.264 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -16.891 40.643 -16.071 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -14.190 37.838 -16.457 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -15.645 38.683 -15.876 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -15.442 38.350 -17.613 1.00 0.00 H new ATOM 1017 N GLU A 67 -14.085 42.102 -20.025 1.00 0.00 N ATOM 1018 CA GLU A 67 -13.006 42.144 -21.023 1.00 0.00 C ATOM 1019 C GLU A 67 -11.829 41.234 -20.621 1.00 0.00 C ATOM 1020 O GLU A 67 -11.258 41.363 -19.534 1.00 0.00 O ATOM 1021 CB GLU A 67 -12.519 43.588 -21.234 1.00 0.00 C ATOM 1022 CG GLU A 67 -13.596 44.494 -21.849 1.00 0.00 C ATOM 1023 CD GLU A 67 -13.054 45.919 -22.070 1.00 0.00 C ATOM 1024 OE1 GLU A 67 -13.176 46.769 -21.153 1.00 0.00 O ATOM 1025 OE2 GLU A 67 -12.507 46.206 -23.163 1.00 0.00 O ATOM 0 H GLU A 67 -14.280 43.008 -19.598 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.412 41.770 -21.963 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.203 44.004 -20.277 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.643 43.580 -21.883 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.930 44.076 -22.799 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.466 44.529 -21.193 1.00 0.00 H new ATOM 1032 N GLY A 68 -11.475 40.300 -21.505 1.00 0.00 N ATOM 1033 CA GLY A 68 -10.462 39.262 -21.278 1.00 0.00 C ATOM 1034 C GLY A 68 -10.598 38.118 -22.288 1.00 0.00 C ATOM 1035 O GLY A 68 -10.730 36.953 -21.915 1.00 0.00 O ATOM 0 H GLY A 68 -11.899 40.241 -22.431 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -9.467 39.700 -21.354 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -10.561 38.870 -20.266 1.00 0.00 H new ATOM 1039 N ASP A 69 -10.675 38.486 -23.566 1.00 0.00 N ATOM 1040 CA ASP A 69 -11.211 37.698 -24.674 1.00 0.00 C ATOM 1041 C ASP A 69 -10.443 38.000 -25.984 1.00 0.00 C ATOM 1042 O ASP A 69 -9.295 38.455 -25.954 1.00 0.00 O ATOM 1043 CB ASP A 69 -12.728 37.981 -24.756 1.00 0.00 C ATOM 1044 CG ASP A 69 -13.070 39.455 -25.044 1.00 0.00 C ATOM 1045 OD1 ASP A 69 -12.893 40.308 -24.138 1.00 0.00 O ATOM 1046 OD2 ASP A 69 -13.540 39.753 -26.166 1.00 0.00 O ATOM 0 H ASP A 69 -10.344 39.400 -23.874 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.073 36.629 -24.510 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.163 37.357 -25.537 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.195 37.686 -23.816 1.00 0.00 H new ATOM 1051 N LEU A 70 -11.042 37.697 -27.138 1.00 0.00 N ATOM 1052 CA LEU A 70 -10.413 37.805 -28.465 1.00 0.00 C ATOM 1053 C LEU A 70 -9.941 39.241 -28.816 1.00 0.00 C ATOM 1054 O LEU A 70 -10.585 40.217 -28.413 1.00 0.00 O ATOM 1055 CB LEU A 70 -11.385 37.314 -29.557 1.00 0.00 C ATOM 1056 CG LEU A 70 -11.737 35.817 -29.535 1.00 0.00 C ATOM 1057 CD1 LEU A 70 -12.885 35.572 -30.516 1.00 0.00 C ATOM 1058 CD2 LEU A 70 -10.552 34.939 -29.935 1.00 0.00 C ATOM 0 H LEU A 70 -12.004 37.360 -27.181 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.524 37.175 -28.426 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.310 37.884 -29.472 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.953 37.549 -30.530 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.019 35.552 -28.516 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.147 34.514 -30.512 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -13.752 36.161 -30.217 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.575 35.866 -31.519 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.849 33.891 -29.905 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.233 35.196 -30.945 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.727 35.103 -29.241 1.00 0.00 H new ATOM 1070 N PRO A 71 -8.876 39.397 -29.634 1.00 0.00 N ATOM 1071 CA PRO A 71 -8.343 40.692 -30.083 1.00 0.00 C ATOM 1072 C PRO A 71 -9.161 41.299 -31.249 1.00 0.00 C ATOM 1073 O PRO A 71 -8.614 41.702 -32.276 1.00 0.00 O ATOM 1074 CB PRO A 71 -6.877 40.395 -30.427 1.00 0.00 C ATOM 1075 CG PRO A 71 -6.959 38.985 -31.009 1.00 0.00 C ATOM 1076 CD PRO A 71 -8.017 38.323 -30.126 1.00 0.00 C ATOM 0 HA PRO A 71 -8.416 41.467 -29.320 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -6.475 41.109 -31.146 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.236 40.435 -29.546 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -7.255 38.996 -32.058 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -6.002 38.467 -30.953 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.595 37.593 -30.693 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.552 37.788 -29.298 1.00 0.00 H new ATOM 1084 N GLU A 72 -10.490 41.325 -31.102 1.00 0.00 N ATOM 1085 CA GLU A 72 -11.496 41.800 -32.066 1.00 0.00 C ATOM 1086 C GLU A 72 -11.228 41.402 -33.545 1.00 0.00 C ATOM 1087 O GLU A 72 -11.091 42.274 -34.413 1.00 0.00 O ATOM 1088 CB GLU A 72 -11.695 43.310 -31.851 1.00 0.00 C ATOM 1089 CG GLU A 72 -12.353 43.636 -30.503 1.00 0.00 C ATOM 1090 CD GLU A 72 -12.589 45.153 -30.364 1.00 0.00 C ATOM 1091 OE1 GLU A 72 -11.679 45.875 -29.884 1.00 0.00 O ATOM 1092 OE2 GLU A 72 -13.688 45.639 -30.729 1.00 0.00 O ATOM 0 H GLU A 72 -10.926 40.990 -30.243 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.433 41.280 -31.864 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.729 43.811 -31.909 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -12.311 43.709 -32.657 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.302 43.106 -30.418 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.719 43.286 -29.689 1.00 0.00 H new ATOM 1099 N PRO A 73 -11.159 40.090 -33.865 1.00 0.00 N ATOM 1100 CA PRO A 73 -10.992 39.597 -35.236 1.00 0.00 C ATOM 1101 C PRO A 73 -12.232 39.856 -36.114 1.00 0.00 C ATOM 1102 O PRO A 73 -13.345 40.049 -35.612 1.00 0.00 O ATOM 1103 CB PRO A 73 -10.693 38.101 -35.092 1.00 0.00 C ATOM 1104 CG PRO A 73 -11.444 37.720 -33.818 1.00 0.00 C ATOM 1105 CD PRO A 73 -11.276 38.964 -32.947 1.00 0.00 C ATOM 0 HA PRO A 73 -10.186 40.123 -35.748 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.047 37.534 -35.953 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.624 37.910 -35.002 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -12.494 37.503 -34.016 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.018 36.834 -33.346 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.130 39.091 -32.281 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.390 38.882 -32.317 1.00 0.00 H new ATOM 1113 N LYS A 74 -12.039 39.833 -37.440 1.00 0.00 N ATOM 1114 CA LYS A 74 -13.075 40.088 -38.463 1.00 0.00 C ATOM 1115 C LYS A 74 -13.200 38.922 -39.452 1.00 0.00 C ATOM 1116 O LYS A 74 -12.237 38.186 -39.681 1.00 0.00 O ATOM 1117 CB LYS A 74 -12.776 41.405 -39.211 1.00 0.00 C ATOM 1118 CG LYS A 74 -12.784 42.659 -38.316 1.00 0.00 C ATOM 1119 CD LYS A 74 -14.175 43.301 -38.229 1.00 0.00 C ATOM 1120 CE LYS A 74 -14.124 44.536 -37.322 1.00 0.00 C ATOM 1121 NZ LYS A 74 -15.455 45.188 -37.207 1.00 0.00 N ATOM 0 H LYS A 74 -11.127 39.630 -37.849 1.00 0.00 H new ATOM 0 HA LYS A 74 -14.032 40.182 -37.949 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.801 41.323 -39.692 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.513 41.534 -40.004 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.446 42.391 -37.315 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.074 43.387 -38.708 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.517 43.584 -39.224 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -14.894 42.581 -37.838 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.774 44.246 -36.331 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.402 45.250 -37.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.382 46.019 -36.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.778 45.487 -38.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -16.138 44.515 -36.805 1.00 0.00 H new ATOM 1135 N LYS A 75 -14.365 38.792 -40.097 1.00 0.00 N ATOM 1136 CA LYS A 75 -14.695 37.755 -41.103 1.00 0.00 C ATOM 1137 C LYS A 75 -14.151 38.078 -42.511 1.00 0.00 C ATOM 1138 O LYS A 75 -14.839 37.902 -43.519 1.00 0.00 O ATOM 1139 CB LYS A 75 -16.215 37.471 -41.081 1.00 0.00 C ATOM 1140 CG LYS A 75 -16.743 36.898 -39.752 1.00 0.00 C ATOM 1141 CD LYS A 75 -16.273 35.457 -39.499 1.00 0.00 C ATOM 1142 CE LYS A 75 -16.909 34.897 -38.222 1.00 0.00 C ATOM 1143 NZ LYS A 75 -16.508 33.485 -37.995 1.00 0.00 N ATOM 0 H LYS A 75 -15.143 39.431 -39.931 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.178 36.836 -40.825 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -16.747 38.397 -41.299 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -16.452 36.771 -41.882 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -16.412 37.533 -38.930 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.833 36.925 -39.757 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.538 34.828 -40.349 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.187 35.433 -39.411 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -16.610 35.504 -37.368 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -17.995 34.962 -38.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.940 33.139 -37.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.830 32.900 -38.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.472 33.426 -37.919 1.00 0.00 H new ATOM 1157 N VAL A 76 -12.915 38.578 -42.582 1.00 0.00 N ATOM 1158 CA VAL A 76 -12.193 38.871 -43.837 1.00 0.00 C ATOM 1159 C VAL A 76 -11.686 37.592 -44.526 1.00 0.00 C ATOM 1160 O VAL A 76 -11.477 36.564 -43.872 1.00 0.00 O ATOM 1161 CB VAL A 76 -11.046 39.881 -43.621 1.00 0.00 C ATOM 1162 CG1 VAL A 76 -11.598 41.248 -43.200 1.00 0.00 C ATOM 1163 CG2 VAL A 76 -10.013 39.426 -42.580 1.00 0.00 C ATOM 0 H VAL A 76 -12.368 38.799 -41.750 1.00 0.00 H new ATOM 0 HA VAL A 76 -12.916 39.336 -44.508 1.00 0.00 H new ATOM 0 HB VAL A 76 -10.537 39.951 -44.582 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.772 41.944 -43.053 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -12.260 41.629 -43.978 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -12.155 41.144 -42.269 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -9.237 40.185 -42.481 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -10.505 39.282 -41.618 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.563 38.487 -42.901 1.00 0.00 H new ATOM 1173 N LYS A 77 -11.484 37.653 -45.848 1.00 0.00 N ATOM 1174 CA LYS A 77 -11.030 36.531 -46.696 1.00 0.00 C ATOM 1175 C LYS A 77 -10.132 37.013 -47.855 1.00 0.00 C ATOM 1176 O LYS A 77 -10.293 38.155 -48.300 1.00 0.00 O ATOM 1177 CB LYS A 77 -12.245 35.736 -47.229 1.00 0.00 C ATOM 1178 CG LYS A 77 -13.345 36.595 -47.881 1.00 0.00 C ATOM 1179 CD LYS A 77 -14.469 35.713 -48.441 1.00 0.00 C ATOM 1180 CE LYS A 77 -15.553 36.587 -49.085 1.00 0.00 C ATOM 1181 NZ LYS A 77 -16.657 35.764 -49.644 1.00 0.00 N ATOM 0 H LYS A 77 -11.636 38.510 -46.379 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.424 35.870 -46.077 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.892 35.007 -47.959 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.684 35.174 -46.404 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.754 37.289 -47.146 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.915 37.196 -48.682 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -14.065 35.019 -49.178 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -14.903 35.112 -47.642 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.953 37.278 -48.343 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -15.111 37.191 -49.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -17.372 36.387 -50.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -16.279 35.122 -50.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -17.094 35.206 -48.883 1.00 0.00 H new ATOM 1195 N PRO A 78 -9.204 36.176 -48.363 1.00 0.00 N ATOM 1196 CA PRO A 78 -8.363 36.512 -49.516 1.00 0.00 C ATOM 1197 C PRO A 78 -9.163 36.569 -50.838 1.00 0.00 C ATOM 1198 O PRO A 78 -10.240 35.967 -50.936 1.00 0.00 O ATOM 1199 CB PRO A 78 -7.278 35.428 -49.548 1.00 0.00 C ATOM 1200 CG PRO A 78 -7.982 34.213 -48.946 1.00 0.00 C ATOM 1201 CD PRO A 78 -8.877 34.840 -47.878 1.00 0.00 C ATOM 0 HA PRO A 78 -7.937 37.510 -49.417 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -6.934 35.232 -50.564 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -6.403 35.716 -48.965 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.562 33.670 -49.692 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -7.273 33.506 -48.516 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -9.779 34.247 -47.728 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -8.364 34.888 -46.918 1.00 0.00 H new ATOM 1209 N PRO A 79 -8.650 37.257 -51.879 1.00 0.00 N ATOM 1210 CA PRO A 79 -9.328 37.403 -53.174 1.00 0.00 C ATOM 1211 C PRO A 79 -9.261 36.148 -54.071 1.00 0.00 C ATOM 1212 O PRO A 79 -9.979 36.077 -55.074 1.00 0.00 O ATOM 1213 CB PRO A 79 -8.637 38.601 -53.837 1.00 0.00 C ATOM 1214 CG PRO A 79 -7.207 38.515 -53.304 1.00 0.00 C ATOM 1215 CD PRO A 79 -7.415 38.035 -51.869 1.00 0.00 C ATOM 0 HA PRO A 79 -10.398 37.550 -53.027 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -8.667 38.532 -54.924 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -9.113 39.543 -53.564 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -6.601 37.817 -53.881 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -6.702 39.480 -53.339 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.574 37.427 -51.535 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -7.491 38.878 -51.183 1.00 0.00 H new ATOM 1223 N ARG A 80 -8.406 35.170 -53.732 1.00 0.00 N ATOM 1224 CA ARG A 80 -8.166 33.914 -54.471 1.00 0.00 C ATOM 1225 C ARG A 80 -8.202 32.696 -53.540 1.00 0.00 C ATOM 1226 O ARG A 80 -8.929 31.728 -53.858 1.00 0.00 O ATOM 1227 CB ARG A 80 -6.826 33.987 -55.229 1.00 0.00 C ATOM 1228 CG ARG A 80 -6.828 35.019 -56.373 1.00 0.00 C ATOM 1229 CD ARG A 80 -5.476 35.087 -57.101 1.00 0.00 C ATOM 1230 NE ARG A 80 -5.120 33.820 -57.772 1.00 0.00 N ATOM 1231 CZ ARG A 80 -5.499 33.411 -58.968 1.00 0.00 C ATOM 1232 NH1 ARG A 80 -6.277 34.119 -59.737 1.00 0.00 N ATOM 1233 NH2 ARG A 80 -5.096 32.261 -59.424 1.00 0.00 N ATOM 1234 OXT ARG A 80 -7.508 32.715 -52.497 1.00 0.00 O ATOM 0 H ARG A 80 -7.832 35.235 -52.891 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.971 33.792 -55.196 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -6.032 34.236 -54.525 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -6.593 33.003 -55.637 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -7.610 34.764 -57.088 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.072 36.003 -55.971 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -5.507 35.887 -57.840 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -4.696 35.345 -56.385 1.00 0.00 H new ATOM 0 HE ARG A 80 -4.511 33.189 -57.251 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -6.617 35.027 -59.421 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -6.546 33.765 -60.655 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -4.485 31.673 -58.857 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -5.391 31.947 -60.349 1.00 0.00 H new TER 1248 ARG A 80