USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 735 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 26 MET CE :methyl 143:sc= -5.31! (180deg=-10!) USER MOD Set 1.2: A 85 MET CE :methyl -178:sc= 0 (180deg=-0.007) USER MOD Set 2.1: A 64 HIS :FLIP no HD1:sc= -8! C(o=-11!,f=-8!) USER MOD Set 2.2: B 5 SER OG : rot -100:sc=-0.00341 USER MOD Single : A 1 ARG N :NH3+ -147:sc= -0.0176 (180deg=-0.923) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 163:sc= -0.766 (180deg=-1.19) USER MOD Single : A 17 SER OG : rot 21:sc= 0.776 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.597! X(o=-0.6!,f=-0.69) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -33:sc= 0.213 USER MOD Single : A 32 LYS NZ :NH3+ 177:sc= 0.00803 (180deg=0.00623) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 42 THR OG1 : rot -36:sc= 0.722 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN :FLIP amide:sc= 0.387 F(o=-2.3,f=0.39) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -169:sc= -1.44 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -103:sc= 0.215 (180deg=-0.239) USER MOD Single : A 74 THR OG1 : rot -170:sc= -0.512 USER MOD Single : A 76 LYS NZ :NH3+ -171:sc= -0.0254 (180deg=-0.113) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 95:sc= 1.42 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ -164:sc= -1.7 (180deg=-2.14!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -7.125 -17.804 8.508 1.00 0.00 N ATOM 2 CA ARG A 1 -6.498 -16.492 8.843 1.00 0.00 C ATOM 3 C ARG A 1 -5.022 -16.687 9.203 1.00 0.00 C ATOM 4 O ARG A 1 -4.613 -17.746 9.636 1.00 0.00 O ATOM 5 CB ARG A 1 -7.283 -15.974 10.048 1.00 0.00 C ATOM 6 CG ARG A 1 -8.773 -15.916 9.700 1.00 0.00 C ATOM 7 CD ARG A 1 -9.367 -14.609 10.229 1.00 0.00 C ATOM 8 NE ARG A 1 -10.204 -15.015 11.393 1.00 0.00 N ATOM 9 CZ ARG A 1 -11.349 -14.427 11.611 1.00 0.00 C ATOM 10 NH1 ARG A 1 -11.437 -13.126 11.554 1.00 0.00 N ATOM 11 NH2 ARG A 1 -12.405 -15.141 11.889 1.00 0.00 N ATOM 0 H1 ARG A 1 -7.854 -17.664 7.780 1.00 0.00 H new ATOM 0 H2 ARG A 1 -6.397 -18.455 8.150 1.00 0.00 H new ATOM 0 H3 ARG A 1 -7.561 -18.208 9.361 1.00 0.00 H new ATOM 0 HA ARG A 1 -6.529 -15.793 8.007 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -7.124 -16.626 10.907 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -6.926 -14.984 10.330 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -8.908 -15.979 8.620 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -9.293 -16.768 10.137 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -8.585 -13.912 10.528 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -9.965 -14.109 9.467 1.00 0.00 H new ATOM 0 HE ARG A 1 -9.882 -15.753 12.020 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -10.611 -12.568 11.339 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -12.332 -12.667 11.724 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -12.335 -16.158 11.936 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -13.300 -14.683 12.060 1.00 0.00 H new ATOM 27 N ARG A 2 -4.220 -15.672 9.026 1.00 0.00 N ATOM 28 CA ARG A 2 -2.764 -15.800 9.356 1.00 0.00 C ATOM 29 C ARG A 2 -2.389 -14.729 10.384 1.00 0.00 C ATOM 30 O ARG A 2 -2.939 -13.647 10.392 1.00 0.00 O ATOM 31 CB ARG A 2 -1.958 -15.589 8.042 1.00 0.00 C ATOM 32 CG ARG A 2 -2.828 -15.762 6.792 1.00 0.00 C ATOM 33 CD ARG A 2 -1.965 -16.321 5.674 1.00 0.00 C ATOM 34 NE ARG A 2 -2.784 -17.417 5.091 1.00 0.00 N ATOM 35 CZ ARG A 2 -2.250 -18.587 4.871 1.00 0.00 C ATOM 36 NH1 ARG A 2 -1.740 -19.268 5.861 1.00 0.00 N ATOM 37 NH2 ARG A 2 -2.227 -19.078 3.662 1.00 0.00 N ATOM 0 H ARG A 2 -4.505 -14.760 8.668 1.00 0.00 H new ATOM 0 HA ARG A 2 -2.541 -16.781 9.775 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -1.521 -14.590 8.043 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -1.131 -16.298 8.008 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.660 -16.435 7.000 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.258 -14.806 6.495 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -1.734 -15.558 4.930 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -1.014 -16.694 6.054 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.765 -17.254 4.863 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -1.759 -18.885 6.806 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -1.323 -20.183 5.689 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -2.627 -18.547 2.888 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.809 -19.993 3.491 1.00 0.00 H new ATOM 51 N ARG A 3 -1.464 -15.019 11.254 1.00 0.00 N ATOM 52 CA ARG A 3 -1.069 -14.007 12.276 1.00 0.00 C ATOM 53 C ARG A 3 0.287 -13.400 11.916 1.00 0.00 C ATOM 54 O ARG A 3 1.316 -14.032 12.050 1.00 0.00 O ATOM 55 CB ARG A 3 -0.986 -14.780 13.592 1.00 0.00 C ATOM 56 CG ARG A 3 -2.376 -14.843 14.231 1.00 0.00 C ATOM 57 CD ARG A 3 -2.247 -15.239 15.703 1.00 0.00 C ATOM 58 NE ARG A 3 -1.775 -14.006 16.392 1.00 0.00 N ATOM 59 CZ ARG A 3 -2.112 -13.783 17.632 1.00 0.00 C ATOM 60 NH1 ARG A 3 -3.370 -13.795 17.981 1.00 0.00 N ATOM 61 NH2 ARG A 3 -1.190 -13.547 18.525 1.00 0.00 N ATOM 0 H ARG A 3 -0.966 -15.908 11.303 1.00 0.00 H new ATOM 0 HA ARG A 3 -1.778 -13.182 12.339 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -0.610 -15.787 13.412 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -0.284 -14.294 14.269 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.870 -13.875 14.146 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.998 -15.566 13.703 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.202 -15.576 16.107 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -1.540 -16.058 15.831 1.00 0.00 H new ATOM 0 HE ARG A 3 -1.188 -13.336 15.894 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.091 -13.979 17.283 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -3.632 -13.620 18.951 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -0.207 -13.537 18.253 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -1.452 -13.372 19.495 1.00 0.00 H new ATOM 75 N VAL A 4 0.299 -12.179 11.455 1.00 0.00 N ATOM 76 CA VAL A 4 1.593 -11.542 11.083 1.00 0.00 C ATOM 77 C VAL A 4 1.974 -10.476 12.112 1.00 0.00 C ATOM 78 O VAL A 4 1.192 -9.607 12.444 1.00 0.00 O ATOM 79 CB VAL A 4 1.343 -10.909 9.716 1.00 0.00 C ATOM 80 CG1 VAL A 4 2.629 -10.246 9.216 1.00 0.00 C ATOM 81 CG2 VAL A 4 0.913 -11.995 8.728 1.00 0.00 C ATOM 0 H VAL A 4 -0.528 -11.597 11.320 1.00 0.00 H new ATOM 0 HA VAL A 4 2.414 -12.258 11.055 1.00 0.00 H new ATOM 0 HB VAL A 4 0.558 -10.158 9.800 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.450 -9.794 8.240 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.939 -9.475 9.921 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.415 -10.996 9.130 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.733 -11.547 7.751 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.701 -12.744 8.645 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.002 -12.469 9.084 1.00 0.00 H new ATOM 91 N THR A 5 3.175 -10.539 12.619 1.00 0.00 N ATOM 92 CA THR A 5 3.614 -9.533 13.626 1.00 0.00 C ATOM 93 C THR A 5 4.759 -8.690 13.063 1.00 0.00 C ATOM 94 O THR A 5 5.858 -9.171 12.867 1.00 0.00 O ATOM 95 CB THR A 5 4.088 -10.358 14.827 1.00 0.00 C ATOM 96 OG1 THR A 5 2.981 -11.048 15.391 1.00 0.00 O ATOM 97 CG2 THR A 5 4.703 -9.433 15.880 1.00 0.00 C ATOM 0 H THR A 5 3.871 -11.245 12.379 1.00 0.00 H new ATOM 0 HA THR A 5 2.817 -8.841 13.898 1.00 0.00 H new ATOM 0 HB THR A 5 4.839 -11.077 14.498 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.282 -11.578 16.158 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.039 -10.024 16.732 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.553 -8.904 15.448 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.956 -8.711 16.211 1.00 0.00 H new ATOM 105 N VAL A 6 4.512 -7.437 12.806 1.00 0.00 N ATOM 106 CA VAL A 6 5.590 -6.564 12.261 1.00 0.00 C ATOM 107 C VAL A 6 6.242 -5.773 13.398 1.00 0.00 C ATOM 108 O VAL A 6 5.599 -4.995 14.074 1.00 0.00 O ATOM 109 CB VAL A 6 4.889 -5.625 11.277 1.00 0.00 C ATOM 110 CG1 VAL A 6 5.902 -4.620 10.723 1.00 0.00 C ATOM 111 CG2 VAL A 6 4.301 -6.443 10.126 1.00 0.00 C ATOM 0 H VAL A 6 3.612 -6.979 12.949 1.00 0.00 H new ATOM 0 HA VAL A 6 6.381 -7.134 11.774 1.00 0.00 H new ATOM 0 HB VAL A 6 4.089 -5.090 11.789 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.404 -3.950 10.022 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.323 -4.039 11.543 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.701 -5.154 10.209 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.801 -5.776 9.424 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.101 -6.976 9.613 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.581 -7.160 10.520 1.00 0.00 H new ATOM 121 N ARG A 7 7.513 -5.969 13.617 1.00 0.00 N ATOM 122 CA ARG A 7 8.202 -5.231 14.716 1.00 0.00 C ATOM 123 C ARG A 7 8.684 -3.866 14.218 1.00 0.00 C ATOM 124 O ARG A 7 9.596 -3.770 13.421 1.00 0.00 O ATOM 125 CB ARG A 7 9.389 -6.111 15.106 1.00 0.00 C ATOM 126 CG ARG A 7 8.940 -7.169 16.120 1.00 0.00 C ATOM 127 CD ARG A 7 9.523 -6.839 17.495 1.00 0.00 C ATOM 128 NE ARG A 7 10.831 -7.552 17.537 1.00 0.00 N ATOM 129 CZ ARG A 7 11.448 -7.717 18.675 1.00 0.00 C ATOM 130 NH1 ARG A 7 11.320 -6.829 19.623 1.00 0.00 N ATOM 131 NH2 ARG A 7 12.192 -8.772 18.867 1.00 0.00 N ATOM 0 H ARG A 7 8.104 -6.607 13.084 1.00 0.00 H new ATOM 0 HA ARG A 7 7.541 -5.044 15.562 1.00 0.00 H new ATOM 0 HB2 ARG A 7 9.801 -6.595 14.220 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.183 -5.498 15.533 1.00 0.00 H new ATOM 0 HG2 ARG A 7 7.852 -7.199 16.172 1.00 0.00 H new ATOM 0 HG3 ARG A 7 9.271 -8.157 15.801 1.00 0.00 H new ATOM 0 HD2 ARG A 7 9.654 -5.764 17.621 1.00 0.00 H new ATOM 0 HD3 ARG A 7 8.864 -7.175 18.295 1.00 0.00 H new ATOM 0 HE ARG A 7 11.244 -7.911 16.676 1.00 0.00 H new ATOM 0 HH11 ARG A 7 10.737 -6.005 19.475 1.00 0.00 H new ATOM 0 HH12 ARG A 7 11.803 -6.959 20.512 1.00 0.00 H new ATOM 0 HH21 ARG A 7 12.291 -9.468 18.128 1.00 0.00 H new ATOM 0 HH22 ARG A 7 12.674 -8.901 19.756 1.00 0.00 H new ATOM 145 N LYS A 8 8.075 -2.810 14.683 1.00 0.00 N ATOM 146 CA LYS A 8 8.494 -1.450 14.240 1.00 0.00 C ATOM 147 C LYS A 8 9.665 -0.954 15.093 1.00 0.00 C ATOM 148 O LYS A 8 9.475 -0.329 16.118 1.00 0.00 O ATOM 149 CB LYS A 8 7.261 -0.568 14.454 1.00 0.00 C ATOM 150 CG LYS A 8 6.206 -0.898 13.396 1.00 0.00 C ATOM 151 CD LYS A 8 6.325 0.089 12.232 1.00 0.00 C ATOM 152 CE LYS A 8 5.209 1.131 12.331 1.00 0.00 C ATOM 153 NZ LYS A 8 5.375 1.742 13.679 1.00 0.00 N ATOM 0 H LYS A 8 7.305 -2.830 15.351 1.00 0.00 H new ATOM 0 HA LYS A 8 8.830 -1.437 13.203 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.854 -0.730 15.452 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.538 0.484 14.390 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.342 -1.918 13.037 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.209 -0.844 13.832 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.298 0.579 12.255 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.258 -0.442 11.283 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.297 1.880 11.544 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.227 0.670 12.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.853 2.641 13.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.004 1.093 14.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.384 1.919 13.858 1.00 0.00 H new ATOM 167 N ALA A 9 10.873 -1.228 14.682 1.00 0.00 N ATOM 168 CA ALA A 9 12.049 -0.770 15.476 1.00 0.00 C ATOM 169 C ALA A 9 12.434 0.660 15.081 1.00 0.00 C ATOM 170 O ALA A 9 12.193 1.599 15.812 1.00 0.00 O ATOM 171 CB ALA A 9 13.172 -1.749 15.126 1.00 0.00 C ATOM 0 H ALA A 9 11.096 -1.748 13.833 1.00 0.00 H new ATOM 0 HA ALA A 9 11.843 -0.755 16.546 1.00 0.00 H new ATOM 0 HB1 ALA A 9 14.075 -1.478 15.673 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.872 -2.760 15.400 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.370 -1.707 14.055 1.00 0.00 H new ATOM 177 N ASP A 10 13.035 0.836 13.934 1.00 0.00 N ATOM 178 CA ASP A 10 13.433 2.209 13.507 1.00 0.00 C ATOM 179 C ASP A 10 12.195 3.081 13.269 1.00 0.00 C ATOM 180 O ASP A 10 12.276 4.293 13.250 1.00 0.00 O ATOM 181 CB ASP A 10 14.206 2.009 12.203 1.00 0.00 C ATOM 182 CG ASP A 10 15.515 2.802 12.261 1.00 0.00 C ATOM 183 OD1 ASP A 10 15.501 3.890 12.813 1.00 0.00 O ATOM 184 OD2 ASP A 10 16.506 2.307 11.752 1.00 0.00 O ATOM 0 H ASP A 10 13.267 0.091 13.277 1.00 0.00 H new ATOM 0 HA ASP A 10 14.030 2.715 14.265 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.416 0.950 12.050 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.605 2.340 11.356 1.00 0.00 H new ATOM 189 N ALA A 11 11.050 2.479 13.084 1.00 0.00 N ATOM 190 CA ALA A 11 9.816 3.283 12.847 1.00 0.00 C ATOM 191 C ALA A 11 10.043 4.278 11.704 1.00 0.00 C ATOM 192 O ALA A 11 9.844 5.467 11.854 1.00 0.00 O ATOM 193 CB ALA A 11 9.566 4.024 14.161 1.00 0.00 C ATOM 0 H ALA A 11 10.916 1.468 13.087 1.00 0.00 H new ATOM 0 HA ALA A 11 8.967 2.661 12.562 1.00 0.00 H new ATOM 0 HB1 ALA A 11 8.672 4.640 14.067 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.426 3.302 14.965 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.422 4.660 14.389 1.00 0.00 H new ATOM 199 N GLY A 12 10.459 3.799 10.564 1.00 0.00 N ATOM 200 CA GLY A 12 10.700 4.715 9.414 1.00 0.00 C ATOM 201 C GLY A 12 9.751 4.356 8.270 1.00 0.00 C ATOM 202 O GLY A 12 10.163 4.182 7.140 1.00 0.00 O ATOM 0 H GLY A 12 10.642 2.813 10.379 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.543 5.749 9.720 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.735 4.634 9.081 1.00 0.00 H new ATOM 206 N GLY A 13 8.482 4.243 8.552 1.00 0.00 N ATOM 207 CA GLY A 13 7.508 3.894 7.480 1.00 0.00 C ATOM 208 C GLY A 13 7.204 2.397 7.534 1.00 0.00 C ATOM 209 O GLY A 13 8.084 1.581 7.733 1.00 0.00 O ATOM 0 H GLY A 13 8.078 4.377 9.479 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.590 4.467 7.608 1.00 0.00 H new ATOM 0 HA3 GLY A 13 7.915 4.158 6.504 1.00 0.00 H new ATOM 213 N LEU A 14 5.967 2.026 7.356 1.00 0.00 N ATOM 214 CA LEU A 14 5.609 0.579 7.393 1.00 0.00 C ATOM 215 C LEU A 14 5.564 0.012 5.975 1.00 0.00 C ATOM 216 O LEU A 14 5.659 -1.182 5.771 1.00 0.00 O ATOM 217 CB LEU A 14 4.217 0.527 8.025 1.00 0.00 C ATOM 218 CG LEU A 14 4.165 -0.599 9.058 1.00 0.00 C ATOM 219 CD1 LEU A 14 3.053 -0.313 10.068 1.00 0.00 C ATOM 220 CD2 LEU A 14 3.880 -1.925 8.349 1.00 0.00 C ATOM 0 H LEU A 14 5.188 2.662 7.186 1.00 0.00 H new ATOM 0 HA LEU A 14 6.336 -0.009 7.954 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.986 1.481 8.500 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.463 0.363 7.255 1.00 0.00 H new ATOM 0 HG LEU A 14 5.121 -0.661 9.578 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.015 -1.115 10.805 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.253 0.633 10.571 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.097 -0.252 9.549 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.842 -2.730 9.083 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.923 -1.862 7.830 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.671 -2.129 7.627 1.00 0.00 H new ATOM 232 N GLY A 15 5.407 0.856 4.992 1.00 0.00 N ATOM 233 CA GLY A 15 5.343 0.355 3.593 1.00 0.00 C ATOM 234 C GLY A 15 4.187 -0.637 3.482 1.00 0.00 C ATOM 235 O GLY A 15 4.358 -1.827 3.663 1.00 0.00 O ATOM 0 H GLY A 15 5.321 1.867 5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.197 1.184 2.901 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.282 -0.127 3.321 1.00 0.00 H new ATOM 239 N ILE A 16 3.004 -0.158 3.211 1.00 0.00 N ATOM 240 CA ILE A 16 1.829 -1.077 3.119 1.00 0.00 C ATOM 241 C ILE A 16 0.574 -0.300 2.708 1.00 0.00 C ATOM 242 O ILE A 16 0.110 0.568 3.421 1.00 0.00 O ATOM 243 CB ILE A 16 1.672 -1.660 4.540 1.00 0.00 C ATOM 244 CG1 ILE A 16 0.332 -2.395 4.667 1.00 0.00 C ATOM 245 CG2 ILE A 16 1.715 -0.531 5.576 1.00 0.00 C ATOM 246 CD1 ILE A 16 0.363 -3.312 5.887 1.00 0.00 C ATOM 0 H ILE A 16 2.798 0.828 3.049 1.00 0.00 H new ATOM 0 HA ILE A 16 1.970 -1.857 2.371 1.00 0.00 H new ATOM 0 HB ILE A 16 2.490 -2.358 4.718 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.481 -1.675 4.761 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.139 -2.978 3.766 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.604 -0.950 6.576 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.669 -0.009 5.506 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.903 0.170 5.384 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.590 -3.833 5.975 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.166 -4.041 5.774 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.536 -2.718 6.784 1.00 0.00 H new ATOM 258 N SER A 17 0.014 -0.616 1.574 1.00 0.00 N ATOM 259 CA SER A 17 -1.218 0.094 1.137 1.00 0.00 C ATOM 260 C SER A 17 -2.424 -0.835 1.280 1.00 0.00 C ATOM 261 O SER A 17 -2.497 -1.874 0.655 1.00 0.00 O ATOM 262 CB SER A 17 -0.981 0.455 -0.329 1.00 0.00 C ATOM 263 OG SER A 17 -2.087 1.199 -0.819 1.00 0.00 O ATOM 0 H SER A 17 0.355 -1.333 0.933 1.00 0.00 H new ATOM 0 HA SER A 17 -1.422 0.982 1.735 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.065 1.038 -0.427 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.848 -0.451 -0.921 1.00 0.00 H new ATOM 0 HG SER A 17 -2.578 1.589 -0.066 1.00 0.00 H new ATOM 269 N ILE A 18 -3.367 -0.475 2.105 1.00 0.00 N ATOM 270 CA ILE A 18 -4.559 -1.348 2.294 1.00 0.00 C ATOM 271 C ILE A 18 -5.705 -0.907 1.384 1.00 0.00 C ATOM 272 O ILE A 18 -5.832 0.252 1.044 1.00 0.00 O ATOM 273 CB ILE A 18 -4.937 -1.207 3.770 1.00 0.00 C ATOM 274 CG1 ILE A 18 -5.287 0.246 4.088 1.00 0.00 C ATOM 275 CG2 ILE A 18 -3.755 -1.637 4.639 1.00 0.00 C ATOM 276 CD1 ILE A 18 -5.952 0.308 5.464 1.00 0.00 C ATOM 0 H ILE A 18 -3.364 0.384 2.655 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.348 -2.385 2.034 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.802 -1.838 3.976 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.387 0.861 4.077 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.957 0.647 3.328 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.022 -1.537 5.691 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.505 -2.676 4.425 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.894 -1.004 4.421 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.205 1.342 5.699 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.860 -0.296 5.457 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.266 -0.078 6.218 1.00 0.00 H new ATOM 288 N LYS A 19 -6.538 -1.829 0.979 1.00 0.00 N ATOM 289 CA LYS A 19 -7.674 -1.470 0.084 1.00 0.00 C ATOM 290 C LYS A 19 -8.943 -2.210 0.518 1.00 0.00 C ATOM 291 O LYS A 19 -8.985 -3.425 0.545 1.00 0.00 O ATOM 292 CB LYS A 19 -7.236 -1.926 -1.309 1.00 0.00 C ATOM 293 CG LYS A 19 -8.097 -1.237 -2.370 1.00 0.00 C ATOM 294 CD LYS A 19 -7.470 -1.449 -3.750 1.00 0.00 C ATOM 295 CE LYS A 19 -7.987 -0.380 -4.714 1.00 0.00 C ATOM 296 NZ LYS A 19 -8.335 -1.124 -5.956 1.00 0.00 N ATOM 0 H LYS A 19 -6.480 -2.816 1.230 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.904 -0.405 0.112 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.185 -1.686 -1.467 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.332 -3.008 -1.395 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.109 -1.642 -2.352 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.176 -0.172 -2.154 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.384 -1.396 -3.680 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.717 -2.442 -4.125 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.856 0.135 -4.305 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.229 0.379 -4.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.698 -0.459 -6.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.487 -1.598 -6.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.064 -1.835 -5.742 1.00 0.00 H new ATOM 310 N GLY A 20 -9.976 -1.490 0.860 1.00 0.00 N ATOM 311 CA GLY A 20 -11.236 -2.158 1.292 1.00 0.00 C ATOM 312 C GLY A 20 -12.067 -1.185 2.129 1.00 0.00 C ATOM 313 O GLY A 20 -11.966 0.016 1.985 1.00 0.00 O ATOM 0 H GLY A 20 -10.002 -0.470 0.859 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.805 -2.483 0.421 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.006 -3.051 1.874 1.00 0.00 H new ATOM 317 N GLY A 21 -12.887 -1.696 3.005 1.00 0.00 N ATOM 318 CA GLY A 21 -13.725 -0.800 3.850 1.00 0.00 C ATOM 319 C GLY A 21 -14.947 -1.564 4.349 1.00 0.00 C ATOM 320 O GLY A 21 -15.608 -2.256 3.600 1.00 0.00 O ATOM 0 H GLY A 21 -13.013 -2.694 3.172 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.144 -0.432 4.695 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -14.038 0.071 3.275 1.00 0.00 H new ATOM 324 N ARG A 22 -15.254 -1.444 5.610 1.00 0.00 N ATOM 325 CA ARG A 22 -16.435 -2.165 6.159 1.00 0.00 C ATOM 326 C ARG A 22 -17.721 -1.712 5.450 1.00 0.00 C ATOM 327 O ARG A 22 -18.746 -2.357 5.546 1.00 0.00 O ATOM 328 CB ARG A 22 -16.464 -1.795 7.643 1.00 0.00 C ATOM 329 CG ARG A 22 -17.603 -2.546 8.335 1.00 0.00 C ATOM 330 CD ARG A 22 -17.022 -3.510 9.370 1.00 0.00 C ATOM 331 NE ARG A 22 -17.585 -4.842 9.009 1.00 0.00 N ATOM 332 CZ ARG A 22 -18.633 -5.300 9.638 1.00 0.00 C ATOM 333 NH1 ARG A 22 -19.830 -4.984 9.227 1.00 0.00 N ATOM 334 NH2 ARG A 22 -18.483 -6.073 10.679 1.00 0.00 N ATOM 0 H ARG A 22 -14.738 -0.878 6.284 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.369 -3.243 6.011 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -15.512 -2.047 8.110 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.601 -0.720 7.758 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.278 -1.840 8.818 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.190 -3.096 7.600 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.933 -3.518 9.335 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -17.306 -3.222 10.382 1.00 0.00 H new ATOM 0 HE ARG A 22 -17.151 -5.396 8.270 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -19.947 -4.379 8.414 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -20.649 -5.342 9.718 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.547 -6.319 11.001 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -19.302 -6.431 11.171 1.00 0.00 H new ATOM 348 N GLU A 23 -17.679 -0.617 4.733 1.00 0.00 N ATOM 349 CA GLU A 23 -18.905 -0.150 4.021 1.00 0.00 C ATOM 350 C GLU A 23 -19.097 -0.932 2.712 1.00 0.00 C ATOM 351 O GLU A 23 -20.024 -0.685 1.966 1.00 0.00 O ATOM 352 CB GLU A 23 -18.661 1.337 3.728 1.00 0.00 C ATOM 353 CG GLU A 23 -17.371 1.498 2.919 1.00 0.00 C ATOM 354 CD GLU A 23 -17.700 2.095 1.548 1.00 0.00 C ATOM 355 OE1 GLU A 23 -18.408 3.089 1.512 1.00 0.00 O ATOM 356 OE2 GLU A 23 -17.238 1.550 0.561 1.00 0.00 O ATOM 0 H GLU A 23 -16.854 -0.030 4.611 1.00 0.00 H new ATOM 0 HA GLU A 23 -19.805 -0.305 4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -19.503 1.752 3.174 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -18.588 1.895 4.662 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -16.674 2.145 3.451 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -16.881 0.532 2.799 1.00 0.00 H new ATOM 363 N ASN A 24 -18.236 -1.876 2.427 1.00 0.00 N ATOM 364 CA ASN A 24 -18.384 -2.668 1.172 1.00 0.00 C ATOM 365 C ASN A 24 -18.106 -4.146 1.456 1.00 0.00 C ATOM 366 O ASN A 24 -17.705 -4.892 0.585 1.00 0.00 O ATOM 367 CB ASN A 24 -17.334 -2.102 0.215 1.00 0.00 C ATOM 368 CG ASN A 24 -18.033 -1.366 -0.930 1.00 0.00 C ATOM 369 OD1 ASN A 24 -18.094 -1.860 -2.038 1.00 0.00 O ATOM 370 ND2 ASN A 24 -18.566 -0.195 -0.709 1.00 0.00 N ATOM 0 H ASN A 24 -17.438 -2.131 3.009 1.00 0.00 H new ATOM 0 HA ASN A 24 -19.389 -2.601 0.755 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -16.670 -1.421 0.748 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -16.715 -2.907 -0.180 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -19.033 0.304 -1.466 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -18.516 0.221 0.221 1.00 0.00 H new ATOM 377 N LYS A 25 -18.315 -4.572 2.673 1.00 0.00 N ATOM 378 CA LYS A 25 -18.061 -6.000 3.020 1.00 0.00 C ATOM 379 C LYS A 25 -16.631 -6.388 2.638 1.00 0.00 C ATOM 380 O LYS A 25 -16.411 -7.188 1.750 1.00 0.00 O ATOM 381 CB LYS A 25 -19.073 -6.798 2.195 1.00 0.00 C ATOM 382 CG LYS A 25 -20.234 -7.234 3.091 1.00 0.00 C ATOM 383 CD LYS A 25 -21.254 -8.013 2.260 1.00 0.00 C ATOM 384 CE LYS A 25 -22.668 -7.569 2.643 1.00 0.00 C ATOM 385 NZ LYS A 25 -23.205 -6.911 1.420 1.00 0.00 N ATOM 0 H LYS A 25 -18.651 -3.992 3.442 1.00 0.00 H new ATOM 0 HA LYS A 25 -18.169 -6.191 4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.445 -6.190 1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -18.591 -7.671 1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -19.864 -7.854 3.907 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.707 -6.362 3.542 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -21.082 -7.840 1.198 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.138 -9.083 2.432 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -23.283 -8.419 2.937 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -22.651 -6.880 3.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -24.173 -6.578 1.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.602 -6.102 1.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -23.215 -7.593 0.635 1.00 0.00 H new ATOM 399 N MET A 26 -15.655 -5.826 3.301 1.00 0.00 N ATOM 400 CA MET A 26 -14.241 -6.167 2.972 1.00 0.00 C ATOM 401 C MET A 26 -13.354 -6.047 4.224 1.00 0.00 C ATOM 402 O MET A 26 -13.194 -4.968 4.759 1.00 0.00 O ATOM 403 CB MET A 26 -13.818 -5.140 1.927 1.00 0.00 C ATOM 404 CG MET A 26 -13.531 -5.843 0.597 1.00 0.00 C ATOM 405 SD MET A 26 -11.741 -5.980 0.359 1.00 0.00 S ATOM 406 CE MET A 26 -11.517 -7.558 1.217 1.00 0.00 C ATOM 0 H MET A 26 -15.776 -5.148 4.053 1.00 0.00 H new ATOM 0 HA MET A 26 -14.142 -7.190 2.608 1.00 0.00 H new ATOM 0 HB2 MET A 26 -14.605 -4.397 1.794 1.00 0.00 H new ATOM 0 HB3 MET A 26 -12.930 -4.607 2.266 1.00 0.00 H new ATOM 0 HG2 MET A 26 -13.986 -6.833 0.592 1.00 0.00 H new ATOM 0 HG3 MET A 26 -13.976 -5.283 -0.226 1.00 0.00 H new ATOM 0 HE1 MET A 26 -10.761 -8.149 0.700 1.00 0.00 H new ATOM 0 HE2 MET A 26 -11.195 -7.373 2.242 1.00 0.00 H new ATOM 0 HE3 MET A 26 -12.460 -8.104 1.227 1.00 0.00 H new ATOM 416 N PRO A 27 -12.801 -7.158 4.651 1.00 0.00 N ATOM 417 CA PRO A 27 -11.914 -7.172 5.854 1.00 0.00 C ATOM 418 C PRO A 27 -10.594 -6.429 5.598 1.00 0.00 C ATOM 419 O PRO A 27 -9.533 -6.987 5.789 1.00 0.00 O ATOM 420 CB PRO A 27 -11.632 -8.660 6.060 1.00 0.00 C ATOM 421 CG PRO A 27 -11.816 -9.262 4.709 1.00 0.00 C ATOM 422 CD PRO A 27 -12.945 -8.502 4.075 1.00 0.00 C ATOM 0 HA PRO A 27 -12.375 -6.680 6.711 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.622 -8.825 6.434 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.317 -9.097 6.787 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.906 -9.178 4.116 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.051 -10.324 4.782 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.862 -8.487 2.988 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.913 -8.942 4.314 1.00 0.00 H new ATOM 430 N ILE A 28 -10.645 -5.180 5.182 1.00 0.00 N ATOM 431 CA ILE A 28 -9.380 -4.402 4.921 1.00 0.00 C ATOM 432 C ILE A 28 -8.342 -5.287 4.202 1.00 0.00 C ATOM 433 O ILE A 28 -7.543 -5.946 4.837 1.00 0.00 O ATOM 434 CB ILE A 28 -8.853 -3.985 6.305 1.00 0.00 C ATOM 435 CG1 ILE A 28 -9.995 -3.453 7.188 1.00 0.00 C ATOM 436 CG2 ILE A 28 -7.802 -2.886 6.137 1.00 0.00 C ATOM 437 CD1 ILE A 28 -10.738 -2.328 6.465 1.00 0.00 C ATOM 0 H ILE A 28 -11.508 -4.664 5.011 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.566 -3.539 4.282 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.414 -4.860 6.785 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.686 -4.261 7.428 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.594 -3.086 8.133 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.427 -2.589 7.116 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.977 -3.261 5.531 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.252 -2.024 5.644 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.544 -1.959 7.099 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.045 -1.515 6.248 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.155 -2.708 5.532 1.00 0.00 H new ATOM 449 N LEU A 29 -8.363 -5.336 2.894 1.00 0.00 N ATOM 450 CA LEU A 29 -7.397 -6.215 2.166 1.00 0.00 C ATOM 451 C LEU A 29 -6.230 -5.424 1.578 1.00 0.00 C ATOM 452 O LEU A 29 -6.410 -4.471 0.846 1.00 0.00 O ATOM 453 CB LEU A 29 -8.226 -6.867 1.060 1.00 0.00 C ATOM 454 CG LEU A 29 -7.399 -7.953 0.373 1.00 0.00 C ATOM 455 CD1 LEU A 29 -7.053 -9.034 1.389 1.00 0.00 C ATOM 456 CD2 LEU A 29 -8.209 -8.574 -0.764 1.00 0.00 C ATOM 0 H LEU A 29 -9.004 -4.808 2.301 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.941 -6.945 2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.135 -7.298 1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.535 -6.116 0.333 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.486 -7.515 -0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.463 -9.812 0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.477 -8.596 2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.971 -9.468 1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.617 -9.348 -1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.122 -9.014 -0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.467 -7.803 -1.490 1.00 0.00 H new ATOM 468 N ILE A 30 -5.027 -5.835 1.888 1.00 0.00 N ATOM 469 CA ILE A 30 -3.831 -5.134 1.345 1.00 0.00 C ATOM 470 C ILE A 30 -3.786 -5.281 -0.177 1.00 0.00 C ATOM 471 O ILE A 30 -4.093 -6.324 -0.720 1.00 0.00 O ATOM 472 CB ILE A 30 -2.631 -5.832 1.987 1.00 0.00 C ATOM 473 CG1 ILE A 30 -2.641 -5.573 3.496 1.00 0.00 C ATOM 474 CG2 ILE A 30 -1.334 -5.283 1.384 1.00 0.00 C ATOM 475 CD1 ILE A 30 -1.421 -6.237 4.134 1.00 0.00 C ATOM 0 H ILE A 30 -4.824 -6.629 2.496 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.842 -4.066 1.565 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.691 -6.904 1.799 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.629 -4.501 3.692 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.556 -5.968 3.938 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.480 -5.781 1.843 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.327 -5.465 0.309 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.271 -4.211 1.570 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.427 -6.053 5.208 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.453 -7.311 3.949 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.512 -5.821 3.700 1.00 0.00 H new ATOM 487 N SER A 31 -3.402 -4.246 -0.869 1.00 0.00 N ATOM 488 CA SER A 31 -3.334 -4.331 -2.355 1.00 0.00 C ATOM 489 C SER A 31 -1.967 -3.860 -2.863 1.00 0.00 C ATOM 490 O SER A 31 -1.734 -3.784 -4.053 1.00 0.00 O ATOM 491 CB SER A 31 -4.441 -3.403 -2.855 1.00 0.00 C ATOM 492 OG SER A 31 -4.623 -3.593 -4.250 1.00 0.00 O ATOM 0 H SER A 31 -3.133 -3.346 -0.472 1.00 0.00 H new ATOM 0 HA SER A 31 -3.463 -5.353 -2.711 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.371 -3.609 -2.325 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.181 -2.365 -2.649 1.00 0.00 H new ATOM 0 HG SER A 31 -3.763 -3.815 -4.665 1.00 0.00 H new ATOM 498 N LYS A 32 -1.055 -3.544 -1.980 1.00 0.00 N ATOM 499 CA LYS A 32 0.284 -3.085 -2.438 1.00 0.00 C ATOM 500 C LYS A 32 1.283 -3.130 -1.282 1.00 0.00 C ATOM 501 O LYS A 32 1.326 -2.246 -0.450 1.00 0.00 O ATOM 502 CB LYS A 32 0.070 -1.647 -2.909 1.00 0.00 C ATOM 503 CG LYS A 32 0.750 -1.442 -4.264 1.00 0.00 C ATOM 504 CD LYS A 32 1.042 0.047 -4.467 1.00 0.00 C ATOM 505 CE LYS A 32 -0.265 0.839 -4.401 1.00 0.00 C ATOM 506 NZ LYS A 32 -0.056 2.002 -5.308 1.00 0.00 N ATOM 0 H LYS A 32 -1.181 -3.584 -0.969 1.00 0.00 H new ATOM 0 HA LYS A 32 0.689 -3.716 -3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.996 -1.436 -2.991 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.478 -0.950 -2.177 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.676 -2.015 -4.309 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.109 -1.810 -5.065 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.732 0.400 -3.701 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.527 0.205 -5.430 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.111 0.233 -4.725 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.478 1.165 -3.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.928 2.566 -5.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.719 2.592 -4.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.188 1.661 -6.260 1.00 0.00 H new ATOM 520 N ILE A 33 2.090 -4.152 -1.227 1.00 0.00 N ATOM 521 CA ILE A 33 3.090 -4.257 -0.132 1.00 0.00 C ATOM 522 C ILE A 33 4.388 -3.570 -0.564 1.00 0.00 C ATOM 523 O ILE A 33 5.080 -4.023 -1.454 1.00 0.00 O ATOM 524 CB ILE A 33 3.280 -5.766 0.077 1.00 0.00 C ATOM 525 CG1 ILE A 33 2.068 -6.316 0.826 1.00 0.00 C ATOM 526 CG2 ILE A 33 4.540 -6.048 0.894 1.00 0.00 C ATOM 527 CD1 ILE A 33 1.958 -5.650 2.200 1.00 0.00 C ATOM 0 H ILE A 33 2.099 -4.921 -1.897 1.00 0.00 H new ATOM 0 HA ILE A 33 2.777 -3.772 0.792 1.00 0.00 H new ATOM 0 HB ILE A 33 3.382 -6.246 -0.896 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.161 -6.134 0.250 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.161 -7.396 0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.653 -7.124 1.029 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.410 -5.655 0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.457 -5.567 1.869 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.091 -6.047 2.728 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.860 -5.855 2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.844 -4.573 2.074 1.00 0.00 H new ATOM 539 N PHE A 34 4.715 -2.477 0.061 1.00 0.00 N ATOM 540 CA PHE A 34 5.958 -1.747 -0.304 1.00 0.00 C ATOM 541 C PHE A 34 7.182 -2.501 0.224 1.00 0.00 C ATOM 542 O PHE A 34 7.266 -2.821 1.393 1.00 0.00 O ATOM 543 CB PHE A 34 5.823 -0.390 0.384 1.00 0.00 C ATOM 544 CG PHE A 34 4.890 0.502 -0.401 1.00 0.00 C ATOM 545 CD1 PHE A 34 3.533 0.170 -0.529 1.00 0.00 C ATOM 546 CD2 PHE A 34 5.383 1.666 -0.999 1.00 0.00 C ATOM 547 CE1 PHE A 34 2.677 1.004 -1.257 1.00 0.00 C ATOM 548 CE2 PHE A 34 4.527 2.499 -1.726 1.00 0.00 C ATOM 549 CZ PHE A 34 3.173 2.168 -1.856 1.00 0.00 C ATOM 0 H PHE A 34 4.172 -2.055 0.814 1.00 0.00 H new ATOM 0 HA PHE A 34 6.088 -1.649 -1.382 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.443 -0.524 1.397 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.802 0.081 0.470 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.150 -0.728 -0.067 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.427 1.922 -0.899 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.632 0.749 -1.357 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.910 3.397 -2.187 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.511 2.810 -2.418 1.00 0.00 H new ATOM 559 N LYS A 35 8.127 -2.789 -0.627 1.00 0.00 N ATOM 560 CA LYS A 35 9.341 -3.527 -0.169 1.00 0.00 C ATOM 561 C LYS A 35 10.271 -2.598 0.612 1.00 0.00 C ATOM 562 O LYS A 35 10.078 -1.399 0.652 1.00 0.00 O ATOM 563 CB LYS A 35 10.017 -4.014 -1.451 1.00 0.00 C ATOM 564 CG LYS A 35 9.076 -4.962 -2.197 1.00 0.00 C ATOM 565 CD LYS A 35 9.330 -4.854 -3.702 1.00 0.00 C ATOM 566 CE LYS A 35 8.868 -3.482 -4.200 1.00 0.00 C ATOM 567 NZ LYS A 35 8.745 -3.634 -5.678 1.00 0.00 N ATOM 0 H LYS A 35 8.113 -2.547 -1.618 1.00 0.00 H new ATOM 0 HA LYS A 35 9.091 -4.352 0.499 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.272 -3.165 -2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.950 -4.525 -1.211 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.236 -5.987 -1.863 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.039 -4.712 -1.974 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.390 -4.991 -3.913 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.795 -5.643 -4.230 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.916 -3.198 -3.751 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.587 -2.705 -3.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.432 -2.734 -6.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.668 -3.898 -6.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.049 -4.376 -5.894 1.00 0.00 H new ATOM 581 N GLY A 36 11.278 -3.146 1.235 1.00 0.00 N ATOM 582 CA GLY A 36 12.220 -2.301 2.018 1.00 0.00 C ATOM 583 C GLY A 36 11.480 -1.685 3.204 1.00 0.00 C ATOM 584 O GLY A 36 11.846 -0.637 3.699 1.00 0.00 O ATOM 0 H GLY A 36 11.488 -4.144 1.235 1.00 0.00 H new ATOM 0 HA2 GLY A 36 13.059 -2.902 2.370 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.634 -1.516 1.385 1.00 0.00 H new ATOM 588 N LEU A 37 10.437 -2.323 3.665 1.00 0.00 N ATOM 589 CA LEU A 37 9.678 -1.762 4.818 1.00 0.00 C ATOM 590 C LEU A 37 9.273 -2.869 5.797 1.00 0.00 C ATOM 591 O LEU A 37 9.237 -4.034 5.457 1.00 0.00 O ATOM 592 CB LEU A 37 8.449 -1.102 4.196 1.00 0.00 C ATOM 593 CG LEU A 37 8.854 0.256 3.613 1.00 0.00 C ATOM 594 CD1 LEU A 37 8.503 0.304 2.127 1.00 0.00 C ATOM 595 CD2 LEU A 37 8.110 1.373 4.349 1.00 0.00 C ATOM 0 H LEU A 37 10.080 -3.204 3.295 1.00 0.00 H new ATOM 0 HA LEU A 37 10.273 -1.053 5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.035 -1.739 3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.670 -0.972 4.948 1.00 0.00 H new ATOM 0 HG LEU A 37 9.928 0.393 3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.792 1.271 1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.036 -0.488 1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.429 0.163 2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.399 2.338 3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.035 1.234 4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.365 1.343 5.408 1.00 0.00 H new ATOM 607 N ALA A 38 8.980 -2.501 7.017 1.00 0.00 N ATOM 608 CA ALA A 38 8.588 -3.503 8.057 1.00 0.00 C ATOM 609 C ALA A 38 7.621 -4.556 7.508 1.00 0.00 C ATOM 610 O ALA A 38 7.946 -5.725 7.430 1.00 0.00 O ATOM 611 CB ALA A 38 7.901 -2.676 9.146 1.00 0.00 C ATOM 0 H ALA A 38 8.996 -1.535 7.343 1.00 0.00 H new ATOM 0 HA ALA A 38 9.455 -4.056 8.419 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.579 -3.334 9.953 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.600 -1.937 9.537 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.034 -2.168 8.724 1.00 0.00 H new ATOM 617 N ALA A 39 6.430 -4.158 7.153 1.00 0.00 N ATOM 618 CA ALA A 39 5.428 -5.137 6.633 1.00 0.00 C ATOM 619 C ALA A 39 6.053 -6.078 5.595 1.00 0.00 C ATOM 620 O ALA A 39 6.055 -7.281 5.759 1.00 0.00 O ATOM 621 CB ALA A 39 4.337 -4.280 5.992 1.00 0.00 C ATOM 0 H ALA A 39 6.104 -3.192 7.200 1.00 0.00 H new ATOM 0 HA ALA A 39 5.042 -5.776 7.427 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.560 -4.926 5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.903 -3.621 6.744 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.769 -3.681 5.190 1.00 0.00 H new ATOM 627 N ASP A 40 6.574 -5.548 4.526 1.00 0.00 N ATOM 628 CA ASP A 40 7.181 -6.429 3.488 1.00 0.00 C ATOM 629 C ASP A 40 8.511 -7.026 3.977 1.00 0.00 C ATOM 630 O ASP A 40 9.114 -7.838 3.305 1.00 0.00 O ATOM 631 CB ASP A 40 7.394 -5.522 2.272 1.00 0.00 C ATOM 632 CG ASP A 40 7.669 -6.378 1.031 1.00 0.00 C ATOM 633 OD1 ASP A 40 7.982 -7.546 1.195 1.00 0.00 O ATOM 634 OD2 ASP A 40 7.555 -5.853 -0.064 1.00 0.00 O ATOM 0 H ASP A 40 6.607 -4.549 4.325 1.00 0.00 H new ATOM 0 HA ASP A 40 6.542 -7.280 3.252 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.512 -4.902 2.110 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.230 -4.846 2.452 1.00 0.00 H new ATOM 639 N GLN A 41 8.977 -6.648 5.143 1.00 0.00 N ATOM 640 CA GLN A 41 10.262 -7.225 5.641 1.00 0.00 C ATOM 641 C GLN A 41 10.006 -8.209 6.792 1.00 0.00 C ATOM 642 O GLN A 41 10.921 -8.621 7.476 1.00 0.00 O ATOM 643 CB GLN A 41 11.080 -6.032 6.138 1.00 0.00 C ATOM 644 CG GLN A 41 11.698 -5.290 4.949 1.00 0.00 C ATOM 645 CD GLN A 41 12.610 -4.173 5.461 1.00 0.00 C ATOM 646 OE1 GLN A 41 12.283 -3.524 6.545 1.00 0.00 O flip ATOM 647 NE2 GLN A 41 13.632 -3.890 4.869 1.00 0.00 N flip ATOM 0 H GLN A 41 8.529 -5.974 5.763 1.00 0.00 H new ATOM 0 HA GLN A 41 10.781 -7.779 4.859 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.443 -5.356 6.708 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.865 -6.374 6.812 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.267 -5.984 4.330 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.912 -4.872 4.319 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.888 -4.397 4.022 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.235 -3.145 5.219 1.00 0.00 H new ATOM 656 N THR A 42 8.776 -8.588 7.016 1.00 0.00 N ATOM 657 CA THR A 42 8.486 -9.541 8.127 1.00 0.00 C ATOM 658 C THR A 42 8.106 -10.921 7.573 1.00 0.00 C ATOM 659 O THR A 42 7.569 -11.752 8.278 1.00 0.00 O ATOM 660 CB THR A 42 7.310 -8.923 8.884 1.00 0.00 C ATOM 661 OG1 THR A 42 7.001 -9.730 10.013 1.00 0.00 O ATOM 662 CG2 THR A 42 6.090 -8.838 7.967 1.00 0.00 C ATOM 0 H THR A 42 7.964 -8.281 6.481 1.00 0.00 H new ATOM 0 HA THR A 42 9.353 -9.692 8.770 1.00 0.00 H new ATOM 0 HB THR A 42 7.580 -7.920 9.214 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.127 -10.675 9.784 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.255 -8.397 8.512 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.327 -8.218 7.102 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.816 -9.838 7.632 1.00 0.00 H new ATOM 670 N GLU A 43 8.383 -11.176 6.319 1.00 0.00 N ATOM 671 CA GLU A 43 8.039 -12.507 5.727 1.00 0.00 C ATOM 672 C GLU A 43 6.597 -12.900 6.069 1.00 0.00 C ATOM 673 O GLU A 43 6.337 -13.985 6.550 1.00 0.00 O ATOM 674 CB GLU A 43 9.027 -13.488 6.357 1.00 0.00 C ATOM 675 CG GLU A 43 10.294 -13.555 5.502 1.00 0.00 C ATOM 676 CD GLU A 43 11.458 -14.064 6.354 1.00 0.00 C ATOM 677 OE1 GLU A 43 11.624 -13.563 7.454 1.00 0.00 O ATOM 678 OE2 GLU A 43 12.164 -14.945 5.891 1.00 0.00 O ATOM 0 H GLU A 43 8.832 -10.521 5.679 1.00 0.00 H new ATOM 0 HA GLU A 43 8.107 -12.497 4.639 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.275 -13.171 7.370 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.575 -14.477 6.434 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.136 -14.217 4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.527 -12.569 5.101 1.00 0.00 H new ATOM 685 N ALA A 44 5.659 -12.026 5.824 1.00 0.00 N ATOM 686 CA ALA A 44 4.236 -12.352 6.132 1.00 0.00 C ATOM 687 C ALA A 44 3.319 -11.253 5.594 1.00 0.00 C ATOM 688 O ALA A 44 2.308 -11.522 4.977 1.00 0.00 O ATOM 689 CB ALA A 44 4.162 -12.414 7.656 1.00 0.00 C ATOM 0 H ALA A 44 5.816 -11.101 5.424 1.00 0.00 H new ATOM 0 HA ALA A 44 3.917 -13.288 5.673 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.143 -12.650 7.961 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.839 -13.186 8.022 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.452 -11.450 8.074 1.00 0.00 H new ATOM 695 N LEU A 45 3.661 -10.015 5.816 1.00 0.00 N ATOM 696 CA LEU A 45 2.806 -8.911 5.302 1.00 0.00 C ATOM 697 C LEU A 45 2.860 -8.898 3.773 1.00 0.00 C ATOM 698 O LEU A 45 3.591 -8.137 3.170 1.00 0.00 O ATOM 699 CB LEU A 45 3.409 -7.631 5.881 1.00 0.00 C ATOM 700 CG LEU A 45 2.307 -6.794 6.536 1.00 0.00 C ATOM 701 CD1 LEU A 45 1.229 -6.467 5.500 1.00 0.00 C ATOM 702 CD2 LEU A 45 1.686 -7.582 7.691 1.00 0.00 C ATOM 0 H LEU A 45 4.492 -9.721 6.329 1.00 0.00 H new ATOM 0 HA LEU A 45 1.760 -9.019 5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.176 -7.878 6.615 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.895 -7.057 5.092 1.00 0.00 H new ATOM 0 HG LEU A 45 2.734 -5.867 6.918 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.445 -5.871 5.967 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.672 -5.904 4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.801 -7.393 5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.901 -6.986 8.158 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.259 -8.510 7.310 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.454 -7.812 8.429 1.00 0.00 H new ATOM 714 N PHE A 46 2.089 -9.741 3.146 1.00 0.00 N ATOM 715 CA PHE A 46 2.087 -9.793 1.649 1.00 0.00 C ATOM 716 C PHE A 46 0.734 -9.320 1.111 1.00 0.00 C ATOM 717 O PHE A 46 -0.274 -9.427 1.770 1.00 0.00 O ATOM 718 CB PHE A 46 2.356 -11.263 1.231 1.00 0.00 C ATOM 719 CG PHE A 46 1.917 -12.261 2.291 1.00 0.00 C ATOM 720 CD1 PHE A 46 0.569 -12.357 2.660 1.00 0.00 C ATOM 721 CD2 PHE A 46 2.867 -13.093 2.899 1.00 0.00 C ATOM 722 CE1 PHE A 46 0.174 -13.282 3.637 1.00 0.00 C ATOM 723 CE2 PHE A 46 2.471 -14.017 3.874 1.00 0.00 C ATOM 724 CZ PHE A 46 1.125 -14.112 4.241 1.00 0.00 C ATOM 0 H PHE A 46 1.457 -10.399 3.602 1.00 0.00 H new ATOM 0 HA PHE A 46 2.856 -9.138 1.238 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.831 -11.474 0.299 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.420 -11.392 1.034 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.166 -11.719 2.192 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.907 -13.021 2.615 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.865 -13.354 3.924 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.205 -14.656 4.342 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.819 -14.826 4.991 1.00 0.00 H new ATOM 734 N VAL A 47 0.700 -8.786 -0.082 1.00 0.00 N ATOM 735 CA VAL A 47 -0.601 -8.304 -0.642 1.00 0.00 C ATOM 736 C VAL A 47 -1.660 -9.403 -0.525 1.00 0.00 C ATOM 737 O VAL A 47 -1.347 -10.558 -0.312 1.00 0.00 O ATOM 738 CB VAL A 47 -0.321 -7.976 -2.111 1.00 0.00 C ATOM 739 CG1 VAL A 47 -1.619 -7.534 -2.790 1.00 0.00 C ATOM 740 CG2 VAL A 47 0.702 -6.841 -2.202 1.00 0.00 C ATOM 0 H VAL A 47 1.509 -8.663 -0.690 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.981 -7.434 -0.106 1.00 0.00 H new ATOM 0 HB VAL A 47 0.073 -8.863 -2.607 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.421 -7.300 -3.836 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.353 -8.338 -2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.009 -6.649 -2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.898 -6.611 -3.249 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.308 -5.955 -1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.629 -7.147 -1.718 1.00 0.00 H new ATOM 750 N GLY A 48 -2.910 -9.054 -0.645 1.00 0.00 N ATOM 751 CA GLY A 48 -3.976 -10.085 -0.521 1.00 0.00 C ATOM 752 C GLY A 48 -4.131 -10.451 0.955 1.00 0.00 C ATOM 753 O GLY A 48 -4.507 -11.554 1.297 1.00 0.00 O ATOM 0 H GLY A 48 -3.238 -8.105 -0.823 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.918 -9.705 -0.917 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.718 -10.968 -1.105 1.00 0.00 H new ATOM 757 N ASP A 49 -3.835 -9.532 1.832 1.00 0.00 N ATOM 758 CA ASP A 49 -3.954 -9.822 3.289 1.00 0.00 C ATOM 759 C ASP A 49 -5.124 -9.048 3.901 1.00 0.00 C ATOM 760 O ASP A 49 -5.005 -7.882 4.225 1.00 0.00 O ATOM 761 CB ASP A 49 -2.630 -9.347 3.890 1.00 0.00 C ATOM 762 CG ASP A 49 -1.590 -10.467 3.797 1.00 0.00 C ATOM 763 OD1 ASP A 49 -1.963 -11.565 3.415 1.00 0.00 O ATOM 764 OD2 ASP A 49 -0.440 -10.208 4.110 1.00 0.00 O ATOM 0 H ASP A 49 -3.515 -8.591 1.602 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.143 -10.878 3.482 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.275 -8.463 3.360 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.775 -9.058 4.931 1.00 0.00 H new ATOM 769 N ALA A 50 -6.254 -9.684 4.058 1.00 0.00 N ATOM 770 CA ALA A 50 -7.425 -8.979 4.653 1.00 0.00 C ATOM 771 C ALA A 50 -7.242 -8.829 6.162 1.00 0.00 C ATOM 772 O ALA A 50 -7.595 -9.699 6.933 1.00 0.00 O ATOM 773 CB ALA A 50 -8.625 -9.860 4.327 1.00 0.00 C ATOM 0 H ALA A 50 -6.416 -10.658 3.801 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.550 -7.971 4.257 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.530 -9.407 4.733 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.722 -9.957 3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.483 -10.846 4.769 1.00 0.00 H new ATOM 779 N ILE A 51 -6.687 -7.725 6.589 1.00 0.00 N ATOM 780 CA ILE A 51 -6.476 -7.513 8.047 1.00 0.00 C ATOM 781 C ILE A 51 -7.820 -7.446 8.770 1.00 0.00 C ATOM 782 O ILE A 51 -8.748 -6.802 8.325 1.00 0.00 O ATOM 783 CB ILE A 51 -5.748 -6.171 8.169 1.00 0.00 C ATOM 784 CG1 ILE A 51 -4.359 -6.274 7.531 1.00 0.00 C ATOM 785 CG2 ILE A 51 -5.599 -5.802 9.651 1.00 0.00 C ATOM 786 CD1 ILE A 51 -3.616 -4.948 7.715 1.00 0.00 C ATOM 0 H ILE A 51 -6.372 -6.963 5.989 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.904 -8.327 8.493 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.326 -5.402 7.656 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.795 -7.086 7.990 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.450 -6.508 6.470 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.081 -4.847 9.738 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.586 -5.722 10.107 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.024 -6.574 10.162 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.627 -5.019 7.262 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.178 -4.146 7.236 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.513 -4.733 8.779 1.00 0.00 H new ATOM 798 N LEU A 52 -7.921 -8.090 9.893 1.00 0.00 N ATOM 799 CA LEU A 52 -9.191 -8.051 10.663 1.00 0.00 C ATOM 800 C LEU A 52 -8.884 -7.841 12.151 1.00 0.00 C ATOM 801 O LEU A 52 -9.702 -8.107 13.009 1.00 0.00 O ATOM 802 CB LEU A 52 -9.854 -9.404 10.404 1.00 0.00 C ATOM 803 CG LEU A 52 -10.503 -9.379 9.015 1.00 0.00 C ATOM 804 CD1 LEU A 52 -10.534 -10.792 8.428 1.00 0.00 C ATOM 805 CD2 LEU A 52 -11.929 -8.839 9.127 1.00 0.00 C ATOM 0 H LEU A 52 -7.176 -8.645 10.314 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.847 -7.233 10.365 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.115 -10.203 10.461 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.604 -9.609 11.168 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.920 -8.733 8.359 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.996 -10.766 7.441 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.516 -11.173 8.342 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.111 -11.445 9.082 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.390 -8.821 8.139 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.511 -9.482 9.788 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.904 -7.828 9.534 1.00 0.00 H new ATOM 817 N SER A 53 -7.708 -7.344 12.453 1.00 0.00 N ATOM 818 CA SER A 53 -7.318 -7.083 13.869 1.00 0.00 C ATOM 819 C SER A 53 -5.879 -6.561 13.911 1.00 0.00 C ATOM 820 O SER A 53 -4.974 -7.167 13.373 1.00 0.00 O ATOM 821 CB SER A 53 -7.427 -8.423 14.600 1.00 0.00 C ATOM 822 OG SER A 53 -6.854 -8.304 15.893 1.00 0.00 O ATOM 0 H SER A 53 -6.993 -7.106 11.765 1.00 0.00 H new ATOM 0 HA SER A 53 -7.958 -6.335 14.337 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.472 -8.722 14.680 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.915 -9.201 14.034 1.00 0.00 H new ATOM 0 HG SER A 53 -6.925 -9.161 16.362 1.00 0.00 H new ATOM 828 N VAL A 54 -5.662 -5.438 14.538 1.00 0.00 N ATOM 829 CA VAL A 54 -4.279 -4.874 14.604 1.00 0.00 C ATOM 830 C VAL A 54 -3.874 -4.633 16.062 1.00 0.00 C ATOM 831 O VAL A 54 -4.466 -3.835 16.760 1.00 0.00 O ATOM 832 CB VAL A 54 -4.301 -3.545 13.811 1.00 0.00 C ATOM 833 CG1 VAL A 54 -4.119 -3.829 12.321 1.00 0.00 C ATOM 834 CG2 VAL A 54 -5.619 -2.784 14.006 1.00 0.00 C ATOM 0 H VAL A 54 -6.379 -4.885 15.008 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.550 -5.563 14.178 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.485 -2.928 14.189 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.135 -2.890 11.767 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.164 -4.329 12.160 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.928 -4.471 11.971 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.592 -1.858 13.432 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.449 -3.400 13.662 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.753 -2.553 15.063 1.00 0.00 H new ATOM 844 N ASN A 55 -2.861 -5.323 16.521 1.00 0.00 N ATOM 845 CA ASN A 55 -2.395 -5.153 17.933 1.00 0.00 C ATOM 846 C ASN A 55 -3.527 -5.467 18.917 1.00 0.00 C ATOM 847 O ASN A 55 -3.602 -4.902 19.989 1.00 0.00 O ATOM 848 CB ASN A 55 -1.968 -3.690 18.054 1.00 0.00 C ATOM 849 CG ASN A 55 -0.455 -3.583 17.863 1.00 0.00 C ATOM 850 OD1 ASN A 55 0.019 -2.740 16.988 1.00 0.00 O flip ATOM 851 ND2 ASN A 55 0.303 -4.272 18.516 1.00 0.00 N flip ATOM 0 H ASN A 55 -2.332 -6.003 15.974 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.576 -5.832 18.169 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.483 -3.087 17.306 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.251 -3.297 19.031 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.068 -4.931 19.200 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.311 -4.191 18.380 1.00 0.00 H new ATOM 858 N GLY A 56 -4.399 -6.372 18.567 1.00 0.00 N ATOM 859 CA GLY A 56 -5.514 -6.728 19.490 1.00 0.00 C ATOM 860 C GLY A 56 -6.721 -5.824 19.228 1.00 0.00 C ATOM 861 O GLY A 56 -7.555 -5.626 20.089 1.00 0.00 O ATOM 0 H GLY A 56 -4.388 -6.880 17.683 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.794 -7.772 19.349 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.188 -6.622 20.525 1.00 0.00 H new ATOM 865 N GLU A 57 -6.828 -5.275 18.049 1.00 0.00 N ATOM 866 CA GLU A 57 -7.993 -4.388 17.747 1.00 0.00 C ATOM 867 C GLU A 57 -8.860 -5.014 16.654 1.00 0.00 C ATOM 868 O GLU A 57 -8.667 -4.750 15.488 1.00 0.00 O ATOM 869 CB GLU A 57 -7.376 -3.081 17.247 1.00 0.00 C ATOM 870 CG GLU A 57 -8.125 -1.895 17.858 1.00 0.00 C ATOM 871 CD GLU A 57 -7.647 -0.598 17.202 1.00 0.00 C ATOM 872 OE1 GLU A 57 -6.447 -0.434 17.064 1.00 0.00 O ATOM 873 OE2 GLU A 57 -8.492 0.210 16.849 1.00 0.00 O ATOM 0 H GLU A 57 -6.165 -5.400 17.284 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.631 -4.235 18.617 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.321 -3.037 17.519 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.427 -3.035 16.159 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.199 -2.015 17.712 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.952 -1.857 18.933 1.00 0.00 H new ATOM 880 N ASP A 58 -9.812 -5.840 17.022 1.00 0.00 N ATOM 881 CA ASP A 58 -10.687 -6.495 15.997 1.00 0.00 C ATOM 882 C ASP A 58 -11.149 -5.490 14.936 1.00 0.00 C ATOM 883 O ASP A 58 -12.055 -4.709 15.151 1.00 0.00 O ATOM 884 CB ASP A 58 -11.883 -7.027 16.786 1.00 0.00 C ATOM 885 CG ASP A 58 -12.563 -5.872 17.523 1.00 0.00 C ATOM 886 OD1 ASP A 58 -11.962 -5.349 18.447 1.00 0.00 O ATOM 887 OD2 ASP A 58 -13.674 -5.529 17.151 1.00 0.00 O ATOM 0 H ASP A 58 -10.021 -6.089 17.989 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.158 -7.282 15.460 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.591 -7.509 16.112 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.555 -7.784 17.498 1.00 0.00 H new ATOM 892 N LEU A 59 -10.526 -5.510 13.789 1.00 0.00 N ATOM 893 CA LEU A 59 -10.918 -4.566 12.703 1.00 0.00 C ATOM 894 C LEU A 59 -12.145 -5.096 11.953 1.00 0.00 C ATOM 895 O LEU A 59 -12.772 -4.381 11.196 1.00 0.00 O ATOM 896 CB LEU A 59 -9.705 -4.510 11.775 1.00 0.00 C ATOM 897 CG LEU A 59 -8.585 -3.712 12.446 1.00 0.00 C ATOM 898 CD1 LEU A 59 -7.328 -3.768 11.580 1.00 0.00 C ATOM 899 CD2 LEU A 59 -9.027 -2.257 12.615 1.00 0.00 C ATOM 0 H LEU A 59 -9.760 -6.142 13.556 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.185 -3.582 13.088 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -9.361 -5.519 11.548 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -9.980 -4.046 10.828 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.369 -4.141 13.424 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.531 -3.199 12.059 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.014 -4.805 11.462 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.541 -3.340 10.601 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.230 -1.688 13.093 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.244 -1.827 11.637 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.922 -2.218 13.235 1.00 0.00 H new ATOM 911 N SER A 60 -12.498 -6.341 12.158 1.00 0.00 N ATOM 912 CA SER A 60 -13.688 -6.913 11.456 1.00 0.00 C ATOM 913 C SER A 60 -14.887 -5.968 11.587 1.00 0.00 C ATOM 914 O SER A 60 -15.705 -5.855 10.695 1.00 0.00 O ATOM 915 CB SER A 60 -13.967 -8.235 12.173 1.00 0.00 C ATOM 916 OG SER A 60 -15.333 -8.584 12.010 1.00 0.00 O ATOM 0 H SER A 60 -12.013 -6.986 12.782 1.00 0.00 H new ATOM 0 HA SER A 60 -13.512 -7.054 10.390 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.329 -9.021 11.769 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.728 -8.144 13.233 1.00 0.00 H new ATOM 0 HG SER A 60 -15.511 -9.432 12.468 1.00 0.00 H new ATOM 922 N SER A 61 -14.988 -5.281 12.692 1.00 0.00 N ATOM 923 CA SER A 61 -16.121 -4.334 12.882 1.00 0.00 C ATOM 924 C SER A 61 -15.619 -2.896 12.730 1.00 0.00 C ATOM 925 O SER A 61 -16.160 -1.973 13.308 1.00 0.00 O ATOM 926 CB SER A 61 -16.613 -4.585 14.308 1.00 0.00 C ATOM 927 OG SER A 61 -18.018 -4.790 14.296 1.00 0.00 O ATOM 0 H SER A 61 -14.333 -5.335 13.472 1.00 0.00 H new ATOM 0 HA SER A 61 -16.916 -4.478 12.151 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.111 -5.456 14.729 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.364 -3.736 14.944 1.00 0.00 H new ATOM 0 HG SER A 61 -18.333 -4.953 15.210 1.00 0.00 H new ATOM 933 N ALA A 62 -14.581 -2.703 11.962 1.00 0.00 N ATOM 934 CA ALA A 62 -14.032 -1.330 11.776 1.00 0.00 C ATOM 935 C ALA A 62 -13.993 -0.965 10.289 1.00 0.00 C ATOM 936 O ALA A 62 -13.818 -1.812 9.436 1.00 0.00 O ATOM 937 CB ALA A 62 -12.614 -1.395 12.344 1.00 0.00 C ATOM 0 H ALA A 62 -14.089 -3.438 11.455 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.641 -0.574 12.271 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.137 -0.420 12.245 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.656 -1.673 13.397 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.036 -2.138 11.795 1.00 0.00 H new ATOM 943 N THR A 63 -14.146 0.292 9.975 1.00 0.00 N ATOM 944 CA THR A 63 -14.108 0.716 8.545 1.00 0.00 C ATOM 945 C THR A 63 -12.655 0.817 8.072 1.00 0.00 C ATOM 946 O THR A 63 -11.736 0.809 8.867 1.00 0.00 O ATOM 947 CB THR A 63 -14.778 2.091 8.524 1.00 0.00 C ATOM 948 OG1 THR A 63 -14.194 2.916 9.523 1.00 0.00 O ATOM 949 CG2 THR A 63 -16.275 1.938 8.799 1.00 0.00 C ATOM 0 H THR A 63 -14.296 1.045 10.647 1.00 0.00 H new ATOM 0 HA THR A 63 -14.612 0.010 7.885 1.00 0.00 H new ATOM 0 HB THR A 63 -14.636 2.548 7.545 1.00 0.00 H new ATOM 0 HG1 THR A 63 -14.731 3.729 9.631 1.00 0.00 H new ATOM 0 HG21 THR A 63 -16.750 2.919 8.784 1.00 0.00 H new ATOM 0 HG22 THR A 63 -16.723 1.306 8.032 1.00 0.00 H new ATOM 0 HG23 THR A 63 -16.420 1.480 9.777 1.00 0.00 H new ATOM 957 N HIS A 64 -12.435 0.910 6.788 1.00 0.00 N ATOM 958 CA HIS A 64 -11.034 1.010 6.286 1.00 0.00 C ATOM 959 C HIS A 64 -10.323 2.196 6.956 1.00 0.00 C ATOM 960 O HIS A 64 -9.132 2.157 7.185 1.00 0.00 O ATOM 961 CB HIS A 64 -11.165 1.193 4.760 1.00 0.00 C ATOM 962 CG HIS A 64 -9.866 1.675 4.161 1.00 0.00 C ATOM 963 ND1 HIS A 64 -9.101 2.790 4.399 1.00 0.00 N flip ATOM 964 CD2 HIS A 64 -9.206 0.971 3.168 1.00 0.00 C flip ATOM 965 CE1 HIS A 64 -7.986 2.780 3.569 1.00 0.00 C flip ATOM 966 NE2 HIS A 64 -8.098 1.663 2.849 1.00 0.00 N flip ATOM 0 H HIS A 64 -13.159 0.921 6.070 1.00 0.00 H new ATOM 0 HA HIS A 64 -10.434 0.130 6.518 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -11.453 0.248 4.300 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -11.958 1.909 4.542 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.523 0.036 2.730 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.199 3.518 3.518 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -7.424 1.369 2.142 1.00 0.00 H new ATOM 974 N ASP A 65 -11.034 3.243 7.283 1.00 0.00 N ATOM 975 CA ASP A 65 -10.370 4.407 7.945 1.00 0.00 C ATOM 976 C ASP A 65 -10.019 4.043 9.388 1.00 0.00 C ATOM 977 O ASP A 65 -9.029 4.493 9.930 1.00 0.00 O ATOM 978 CB ASP A 65 -11.392 5.556 7.904 1.00 0.00 C ATOM 979 CG ASP A 65 -12.733 5.086 8.474 1.00 0.00 C ATOM 980 OD1 ASP A 65 -12.868 5.074 9.684 1.00 0.00 O ATOM 981 OD2 ASP A 65 -13.600 4.745 7.685 1.00 0.00 O ATOM 0 H ASP A 65 -12.036 3.344 7.123 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.444 4.691 7.445 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.021 6.404 8.479 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.524 5.899 6.878 1.00 0.00 H new ATOM 986 N GLU A 66 -10.815 3.219 10.012 1.00 0.00 N ATOM 987 CA GLU A 66 -10.515 2.818 11.415 1.00 0.00 C ATOM 988 C GLU A 66 -9.321 1.863 11.430 1.00 0.00 C ATOM 989 O GLU A 66 -8.573 1.800 12.386 1.00 0.00 O ATOM 990 CB GLU A 66 -11.778 2.114 11.909 1.00 0.00 C ATOM 991 CG GLU A 66 -12.643 3.107 12.688 1.00 0.00 C ATOM 992 CD GLU A 66 -12.257 3.067 14.168 1.00 0.00 C ATOM 993 OE1 GLU A 66 -11.231 3.634 14.508 1.00 0.00 O ATOM 994 OE2 GLU A 66 -12.992 2.471 14.936 1.00 0.00 O ATOM 0 H GLU A 66 -11.658 2.807 9.612 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.258 3.667 12.048 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.338 1.712 11.064 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.512 1.270 12.545 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.506 4.113 12.292 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.698 2.858 12.569 1.00 0.00 H new ATOM 1001 N ALA A 67 -9.132 1.125 10.369 1.00 0.00 N ATOM 1002 CA ALA A 67 -7.981 0.182 10.310 1.00 0.00 C ATOM 1003 C ALA A 67 -6.694 0.955 10.025 1.00 0.00 C ATOM 1004 O ALA A 67 -5.663 0.696 10.610 1.00 0.00 O ATOM 1005 CB ALA A 67 -8.298 -0.767 9.155 1.00 0.00 C ATOM 0 H ALA A 67 -9.727 1.135 9.540 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.838 -0.356 11.247 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.492 -1.493 9.049 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.233 -1.289 9.359 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.395 -0.196 8.231 1.00 0.00 H new ATOM 1011 N VAL A 68 -6.748 1.908 9.134 1.00 0.00 N ATOM 1012 CA VAL A 68 -5.519 2.695 8.823 1.00 0.00 C ATOM 1013 C VAL A 68 -5.091 3.463 10.073 1.00 0.00 C ATOM 1014 O VAL A 68 -3.930 3.765 10.265 1.00 0.00 O ATOM 1015 CB VAL A 68 -5.895 3.675 7.699 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -4.614 4.269 7.111 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -6.664 2.959 6.582 1.00 0.00 C ATOM 0 H VAL A 68 -7.582 2.175 8.611 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.694 2.054 8.514 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.529 4.457 8.116 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.869 4.966 6.313 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.066 4.797 7.892 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.993 3.469 6.709 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.918 3.674 5.799 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.043 2.167 6.163 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.578 2.526 6.989 1.00 0.00 H new ATOM 1027 N GLN A 69 -6.026 3.770 10.929 1.00 0.00 N ATOM 1028 CA GLN A 69 -5.682 4.508 12.174 1.00 0.00 C ATOM 1029 C GLN A 69 -4.718 3.672 13.014 1.00 0.00 C ATOM 1030 O GLN A 69 -3.815 4.192 13.640 1.00 0.00 O ATOM 1031 CB GLN A 69 -7.015 4.699 12.900 1.00 0.00 C ATOM 1032 CG GLN A 69 -7.029 6.060 13.597 1.00 0.00 C ATOM 1033 CD GLN A 69 -7.514 5.889 15.038 1.00 0.00 C ATOM 1034 OE1 GLN A 69 -6.811 5.346 15.867 1.00 0.00 O ATOM 1035 NE2 GLN A 69 -8.694 6.333 15.373 1.00 0.00 N ATOM 0 H GLN A 69 -7.014 3.541 10.819 1.00 0.00 H new ATOM 0 HA GLN A 69 -5.192 5.462 11.979 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.840 4.634 12.190 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -7.160 3.903 13.631 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -6.030 6.496 13.587 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.682 6.748 13.061 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -9.284 6.789 14.677 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.027 6.224 16.331 1.00 0.00 H new ATOM 1044 N ALA A 70 -4.890 2.378 13.025 1.00 0.00 N ATOM 1045 CA ALA A 70 -3.968 1.520 13.815 1.00 0.00 C ATOM 1046 C ALA A 70 -2.609 1.465 13.118 1.00 0.00 C ATOM 1047 O ALA A 70 -1.573 1.513 13.750 1.00 0.00 O ATOM 1048 CB ALA A 70 -4.625 0.144 13.828 1.00 0.00 C ATOM 0 H ALA A 70 -5.626 1.882 12.523 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.801 1.893 14.826 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.004 -0.550 14.394 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.608 0.214 14.294 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.734 -0.217 12.805 1.00 0.00 H new ATOM 1054 N LEU A 71 -2.607 1.381 11.814 1.00 0.00 N ATOM 1055 CA LEU A 71 -1.314 1.340 11.078 1.00 0.00 C ATOM 1056 C LEU A 71 -0.537 2.628 11.367 1.00 0.00 C ATOM 1057 O LEU A 71 0.678 2.645 11.375 1.00 0.00 O ATOM 1058 CB LEU A 71 -1.687 1.244 9.590 1.00 0.00 C ATOM 1059 CG LEU A 71 -1.883 -0.222 9.182 1.00 0.00 C ATOM 1060 CD1 LEU A 71 -0.624 -1.028 9.506 1.00 0.00 C ATOM 1061 CD2 LEU A 71 -3.076 -0.814 9.936 1.00 0.00 C ATOM 0 H LEU A 71 -3.442 1.339 11.230 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.685 0.501 11.375 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.601 1.806 9.401 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.903 1.696 8.982 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.072 -0.268 8.110 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.772 -2.067 9.213 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.224 -0.614 8.960 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.425 -0.978 10.577 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.211 -1.855 9.643 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.891 -0.760 11.009 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.976 -0.249 9.694 1.00 0.00 H new ATOM 1073 N LYS A 72 -1.235 3.708 11.616 1.00 0.00 N ATOM 1074 CA LYS A 72 -0.542 4.992 11.917 1.00 0.00 C ATOM 1075 C LYS A 72 -0.184 5.062 13.409 1.00 0.00 C ATOM 1076 O LYS A 72 0.854 5.570 13.783 1.00 0.00 O ATOM 1077 CB LYS A 72 -1.550 6.083 11.552 1.00 0.00 C ATOM 1078 CG LYS A 72 -1.394 6.446 10.076 1.00 0.00 C ATOM 1079 CD LYS A 72 -0.645 7.774 9.956 1.00 0.00 C ATOM 1080 CE LYS A 72 0.064 7.840 8.602 1.00 0.00 C ATOM 1081 NZ LYS A 72 1.294 8.639 8.856 1.00 0.00 N ATOM 0 H LYS A 72 -2.254 3.753 11.623 1.00 0.00 H new ATOM 0 HA LYS A 72 0.390 5.100 11.362 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.565 5.736 11.747 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.390 6.964 12.173 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.850 5.660 9.552 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.373 6.524 9.604 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.342 8.607 10.055 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.081 7.868 10.764 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.308 6.843 8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.566 8.312 7.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.837 8.730 7.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.029 9.584 9.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.876 8.161 9.573 1.00 0.00 H new ATOM 1095 N LYS A 73 -1.035 4.552 14.262 1.00 0.00 N ATOM 1096 CA LYS A 73 -0.744 4.586 15.723 1.00 0.00 C ATOM 1097 C LYS A 73 -0.351 3.188 16.211 1.00 0.00 C ATOM 1098 O LYS A 73 -0.544 2.843 17.360 1.00 0.00 O ATOM 1099 CB LYS A 73 -2.055 5.032 16.372 1.00 0.00 C ATOM 1100 CG LYS A 73 -1.831 5.278 17.865 1.00 0.00 C ATOM 1101 CD LYS A 73 -2.965 4.636 18.667 1.00 0.00 C ATOM 1102 CE LYS A 73 -2.579 4.590 20.147 1.00 0.00 C ATOM 1103 NZ LYS A 73 -1.681 3.406 20.270 1.00 0.00 N ATOM 0 H LYS A 73 -1.920 4.113 14.007 1.00 0.00 H new ATOM 0 HA LYS A 73 0.082 5.254 15.969 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.418 5.942 15.894 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.821 4.269 16.230 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.873 4.860 18.173 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.791 6.349 18.065 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.885 5.206 18.537 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.160 3.629 18.299 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.071 5.505 20.452 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.459 4.487 20.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.206 2.615 20.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.340 3.129 19.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.870 3.647 20.874 1.00 0.00 H new ATOM 1117 N THR A 74 0.196 2.381 15.343 1.00 0.00 N ATOM 1118 CA THR A 74 0.601 1.005 15.753 1.00 0.00 C ATOM 1119 C THR A 74 1.762 1.072 16.747 1.00 0.00 C ATOM 1120 O THR A 74 2.386 2.099 16.924 1.00 0.00 O ATOM 1121 CB THR A 74 1.038 0.294 14.462 1.00 0.00 C ATOM 1122 OG1 THR A 74 1.241 1.241 13.420 1.00 0.00 O ATOM 1123 CG2 THR A 74 -0.039 -0.705 14.040 1.00 0.00 C ATOM 0 H THR A 74 0.380 2.615 14.367 1.00 0.00 H new ATOM 0 HA THR A 74 -0.214 0.473 16.244 1.00 0.00 H new ATOM 0 HB THR A 74 1.975 -0.231 14.649 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.363 0.770 12.569 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.271 -1.209 13.125 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.181 -1.442 14.830 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.976 -0.177 13.864 1.00 0.00 H new ATOM 1131 N GLY A 75 2.051 -0.018 17.399 1.00 0.00 N ATOM 1132 CA GLY A 75 3.168 -0.026 18.387 1.00 0.00 C ATOM 1133 C GLY A 75 4.337 -0.846 17.832 1.00 0.00 C ATOM 1134 O GLY A 75 4.302 -1.313 16.711 1.00 0.00 O ATOM 0 H GLY A 75 1.562 -0.906 17.291 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.492 0.994 18.594 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.829 -0.451 19.332 1.00 0.00 H new ATOM 1138 N LYS A 76 5.376 -1.024 18.609 1.00 0.00 N ATOM 1139 CA LYS A 76 6.547 -1.813 18.122 1.00 0.00 C ATOM 1140 C LYS A 76 6.088 -3.170 17.579 1.00 0.00 C ATOM 1141 O LYS A 76 6.243 -3.464 16.411 1.00 0.00 O ATOM 1142 CB LYS A 76 7.439 -1.997 19.351 1.00 0.00 C ATOM 1143 CG LYS A 76 8.047 -0.650 19.744 1.00 0.00 C ATOM 1144 CD LYS A 76 8.007 -0.497 21.266 1.00 0.00 C ATOM 1145 CE LYS A 76 9.205 -1.222 21.884 1.00 0.00 C ATOM 1146 NZ LYS A 76 8.654 -2.510 22.392 1.00 0.00 N ATOM 0 H LYS A 76 5.463 -0.658 19.557 1.00 0.00 H new ATOM 0 HA LYS A 76 7.072 -1.312 17.309 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.857 -2.401 20.179 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.229 -2.716 19.136 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.075 -0.585 19.388 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.495 0.162 19.271 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.028 0.559 21.537 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.077 -0.908 21.659 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.988 -1.392 21.145 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.648 -0.637 22.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.376 -2.995 22.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.817 -2.322 22.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.384 -3.113 21.589 1.00 0.00 H new ATOM 1160 N GLU A 77 5.522 -3.998 18.416 1.00 0.00 N ATOM 1161 CA GLU A 77 5.055 -5.333 17.939 1.00 0.00 C ATOM 1162 C GLU A 77 3.683 -5.198 17.272 1.00 0.00 C ATOM 1163 O GLU A 77 2.656 -5.334 17.907 1.00 0.00 O ATOM 1164 CB GLU A 77 4.965 -6.197 19.198 1.00 0.00 C ATOM 1165 CG GLU A 77 4.009 -5.547 20.201 1.00 0.00 C ATOM 1166 CD GLU A 77 2.838 -6.493 20.474 1.00 0.00 C ATOM 1167 OE1 GLU A 77 3.078 -7.558 21.019 1.00 0.00 O ATOM 1168 OE2 GLU A 77 1.723 -6.136 20.134 1.00 0.00 O ATOM 0 H GLU A 77 5.363 -3.809 19.406 1.00 0.00 H new ATOM 0 HA GLU A 77 5.726 -5.770 17.200 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.614 -7.196 18.941 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.953 -6.311 19.644 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.535 -5.324 21.129 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.641 -4.599 19.808 1.00 0.00 H new ATOM 1175 N VAL A 78 3.658 -4.921 15.997 1.00 0.00 N ATOM 1176 CA VAL A 78 2.353 -4.768 15.292 1.00 0.00 C ATOM 1177 C VAL A 78 1.765 -6.138 14.941 1.00 0.00 C ATOM 1178 O VAL A 78 2.006 -6.674 13.878 1.00 0.00 O ATOM 1179 CB VAL A 78 2.681 -3.973 14.023 1.00 0.00 C ATOM 1180 CG1 VAL A 78 1.467 -3.946 13.089 1.00 0.00 C ATOM 1181 CG2 VAL A 78 3.046 -2.540 14.406 1.00 0.00 C ATOM 0 H VAL A 78 4.484 -4.794 15.413 1.00 0.00 H new ATOM 0 HA VAL A 78 1.609 -4.263 15.908 1.00 0.00 H new ATOM 0 HB VAL A 78 3.518 -4.449 13.512 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.711 -3.379 12.191 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.198 -4.965 12.812 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.626 -3.475 13.598 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.280 -1.971 13.506 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.205 -2.075 14.920 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.914 -2.549 15.065 1.00 0.00 H new ATOM 1191 N VAL A 79 0.976 -6.696 15.818 1.00 0.00 N ATOM 1192 CA VAL A 79 0.354 -8.018 15.517 1.00 0.00 C ATOM 1193 C VAL A 79 -0.863 -7.787 14.622 1.00 0.00 C ATOM 1194 O VAL A 79 -1.800 -7.119 15.009 1.00 0.00 O ATOM 1195 CB VAL A 79 -0.086 -8.598 16.869 1.00 0.00 C ATOM 1196 CG1 VAL A 79 -0.425 -10.079 16.694 1.00 0.00 C ATOM 1197 CG2 VAL A 79 1.035 -8.451 17.902 1.00 0.00 C ATOM 0 H VAL A 79 0.736 -6.297 16.725 1.00 0.00 H new ATOM 0 HA VAL A 79 1.038 -8.696 15.007 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.962 -8.054 17.221 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.738 -10.496 17.651 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.233 -10.184 15.970 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.455 -10.614 16.336 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.708 -8.867 18.855 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.920 -8.986 17.557 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.276 -7.396 18.030 1.00 0.00 H new ATOM 1207 N LEU A 80 -0.854 -8.302 13.426 1.00 0.00 N ATOM 1208 CA LEU A 80 -2.018 -8.061 12.524 1.00 0.00 C ATOM 1209 C LEU A 80 -2.648 -9.376 12.062 1.00 0.00 C ATOM 1210 O LEU A 80 -2.045 -10.147 11.341 1.00 0.00 O ATOM 1211 CB LEU A 80 -1.453 -7.305 11.311 1.00 0.00 C ATOM 1212 CG LEU A 80 -0.515 -6.176 11.761 1.00 0.00 C ATOM 1213 CD1 LEU A 80 -0.079 -5.361 10.541 1.00 0.00 C ATOM 1214 CD2 LEU A 80 -1.237 -5.258 12.751 1.00 0.00 C ATOM 0 H LEU A 80 -0.104 -8.872 13.036 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.798 -7.500 13.040 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.913 -7.997 10.665 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.271 -6.891 10.721 1.00 0.00 H new ATOM 0 HG LEU A 80 0.359 -6.610 12.247 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.587 -4.559 10.858 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.444 -6.010 9.838 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.957 -4.933 10.057 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.564 -4.460 13.065 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.115 -4.825 12.272 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.547 -5.835 13.622 1.00 0.00 H new ATOM 1226 N GLU A 81 -3.878 -9.617 12.437 1.00 0.00 N ATOM 1227 CA GLU A 81 -4.560 -10.856 11.974 1.00 0.00 C ATOM 1228 C GLU A 81 -4.916 -10.657 10.503 1.00 0.00 C ATOM 1229 O GLU A 81 -5.393 -9.608 10.121 1.00 0.00 O ATOM 1230 CB GLU A 81 -5.819 -10.973 12.831 1.00 0.00 C ATOM 1231 CG GLU A 81 -6.326 -12.416 12.799 1.00 0.00 C ATOM 1232 CD GLU A 81 -6.083 -13.072 14.159 1.00 0.00 C ATOM 1233 OE1 GLU A 81 -6.902 -12.876 15.043 1.00 0.00 O ATOM 1234 OE2 GLU A 81 -5.083 -13.758 14.295 1.00 0.00 O ATOM 0 H GLU A 81 -4.435 -9.012 13.040 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.952 -11.756 12.067 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.602 -10.675 13.857 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.589 -10.297 12.459 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.389 -12.434 12.559 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.813 -12.976 12.017 1.00 0.00 H new ATOM 1241 N VAL A 82 -4.649 -11.616 9.664 1.00 0.00 N ATOM 1242 CA VAL A 82 -4.935 -11.413 8.215 1.00 0.00 C ATOM 1243 C VAL A 82 -5.733 -12.568 7.608 1.00 0.00 C ATOM 1244 O VAL A 82 -5.648 -13.705 8.029 1.00 0.00 O ATOM 1245 CB VAL A 82 -3.543 -11.332 7.569 1.00 0.00 C ATOM 1246 CG1 VAL A 82 -2.716 -12.550 7.971 1.00 0.00 C ATOM 1247 CG2 VAL A 82 -3.654 -11.313 6.045 1.00 0.00 C ATOM 0 H VAL A 82 -4.250 -12.521 9.912 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.545 -10.525 8.051 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.065 -10.414 7.912 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.730 -12.488 7.511 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.609 -12.575 9.055 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.217 -13.457 7.634 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.657 -11.255 5.608 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.147 -12.224 5.705 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.237 -10.446 5.733 1.00 0.00 H new ATOM 1257 N LYS A 83 -6.462 -12.263 6.571 1.00 0.00 N ATOM 1258 CA LYS A 83 -7.234 -13.299 5.843 1.00 0.00 C ATOM 1259 C LYS A 83 -6.647 -13.389 4.434 1.00 0.00 C ATOM 1260 O LYS A 83 -7.135 -12.778 3.502 1.00 0.00 O ATOM 1261 CB LYS A 83 -8.676 -12.787 5.810 1.00 0.00 C ATOM 1262 CG LYS A 83 -9.579 -13.761 6.570 1.00 0.00 C ATOM 1263 CD LYS A 83 -11.044 -13.381 6.348 1.00 0.00 C ATOM 1264 CE LYS A 83 -11.588 -14.134 5.132 1.00 0.00 C ATOM 1265 NZ LYS A 83 -13.029 -13.762 5.065 1.00 0.00 N ATOM 0 H LYS A 83 -6.555 -11.320 6.193 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.196 -14.287 6.302 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.732 -11.796 6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.015 -12.689 4.779 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.401 -14.780 6.228 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.344 -13.737 7.634 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.632 -13.625 7.233 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.132 -12.306 6.193 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.063 -13.846 4.221 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.463 -15.211 5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.474 -14.239 4.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.504 -14.054 5.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.117 -12.732 4.950 1.00 0.00 H new ATOM 1279 N TYR A 84 -5.565 -14.107 4.287 1.00 0.00 N ATOM 1280 CA TYR A 84 -4.896 -14.207 2.957 1.00 0.00 C ATOM 1281 C TYR A 84 -5.903 -14.518 1.850 1.00 0.00 C ATOM 1282 O TYR A 84 -6.575 -15.529 1.869 1.00 0.00 O ATOM 1283 CB TYR A 84 -3.894 -15.360 3.098 1.00 0.00 C ATOM 1284 CG TYR A 84 -2.603 -15.088 2.334 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -2.506 -14.051 1.389 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -1.483 -15.887 2.595 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -1.300 -13.827 0.720 1.00 0.00 C ATOM 1288 CE2 TYR A 84 -0.280 -15.659 1.929 1.00 0.00 C ATOM 1289 CZ TYR A 84 -0.184 -14.628 0.991 1.00 0.00 C ATOM 1290 OH TYR A 84 1.007 -14.401 0.331 1.00 0.00 O ATOM 0 H TYR A 84 -5.113 -14.632 5.036 1.00 0.00 H new ATOM 0 HA TYR A 84 -4.416 -13.268 2.683 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -3.666 -15.516 4.152 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -4.346 -16.281 2.730 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.363 -13.428 1.181 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.552 -16.686 3.318 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.228 -13.033 -0.009 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.579 -16.280 2.138 1.00 0.00 H new ATOM 0 HH TYR A 84 1.581 -13.827 0.880 1.00 0.00 H new ATOM 1300 N MET A 85 -5.991 -13.661 0.873 1.00 0.00 N ATOM 1301 CA MET A 85 -6.933 -13.911 -0.256 1.00 0.00 C ATOM 1302 C MET A 85 -6.137 -14.083 -1.550 1.00 0.00 C ATOM 1303 O MET A 85 -6.391 -13.430 -2.542 1.00 0.00 O ATOM 1304 CB MET A 85 -7.832 -12.673 -0.331 1.00 0.00 C ATOM 1305 CG MET A 85 -8.951 -12.791 0.705 1.00 0.00 C ATOM 1306 SD MET A 85 -10.499 -12.184 -0.012 1.00 0.00 S ATOM 1307 CE MET A 85 -11.047 -11.209 1.411 1.00 0.00 C ATOM 0 H MET A 85 -5.452 -12.798 0.806 1.00 0.00 H new ATOM 0 HA MET A 85 -7.525 -14.815 -0.111 1.00 0.00 H new ATOM 0 HB2 MET A 85 -7.245 -11.773 -0.147 1.00 0.00 H new ATOM 0 HB3 MET A 85 -8.256 -12.579 -1.331 1.00 0.00 H new ATOM 0 HG2 MET A 85 -9.064 -13.829 1.018 1.00 0.00 H new ATOM 0 HG3 MET A 85 -8.699 -12.215 1.596 1.00 0.00 H new ATOM 0 HE1 MET A 85 -12.019 -10.766 1.196 1.00 0.00 H new ATOM 0 HE2 MET A 85 -11.128 -11.855 2.285 1.00 0.00 H new ATOM 0 HE3 MET A 85 -10.324 -10.418 1.610 1.00 0.00 H new ATOM 1317 N LYS A 86 -5.165 -14.956 -1.539 1.00 0.00 N ATOM 1318 CA LYS A 86 -4.340 -15.173 -2.762 1.00 0.00 C ATOM 1319 C LYS A 86 -5.207 -15.717 -3.901 1.00 0.00 C ATOM 1320 O LYS A 86 -5.112 -16.901 -4.178 1.00 0.00 O ATOM 1321 CB LYS A 86 -3.278 -16.198 -2.354 1.00 0.00 C ATOM 1322 CG LYS A 86 -3.957 -17.437 -1.764 1.00 0.00 C ATOM 1323 CD LYS A 86 -3.265 -18.697 -2.290 1.00 0.00 C ATOM 1324 CE LYS A 86 -4.312 -19.651 -2.869 1.00 0.00 C ATOM 1325 NZ LYS A 86 -3.534 -20.832 -3.341 1.00 0.00 N ATOM 1326 OXT LYS A 86 -5.949 -14.940 -4.476 1.00 0.00 O ATOM 0 H LYS A 86 -4.907 -15.528 -0.735 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.892 -14.247 -3.123 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.677 -16.478 -3.219 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.599 -15.761 -1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.907 -17.409 -0.676 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.013 -17.449 -2.034 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.536 -18.432 -3.056 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.717 -19.187 -1.485 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.046 -19.937 -2.116 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.860 -19.186 -3.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.183 -21.533 -3.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.848 -20.530 -4.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.028 -21.258 -2.538 1.00 0.00 H new TER 1340 LYS A 86 ATOM 1341 N LYS B 3 -10.624 3.114 -1.477 1.00 0.00 N ATOM 1342 CA LYS B 3 -9.760 3.552 -0.344 1.00 0.00 C ATOM 1343 C LYS B 3 -8.430 2.794 -0.368 1.00 0.00 C ATOM 1344 O LYS B 3 -8.313 1.715 0.172 1.00 0.00 O ATOM 1345 CB LYS B 3 -10.548 3.199 0.917 1.00 0.00 C ATOM 1346 CG LYS B 3 -10.468 4.356 1.914 1.00 0.00 C ATOM 1347 CD LYS B 3 -11.707 4.336 2.811 1.00 0.00 C ATOM 1348 CE LYS B 3 -11.739 5.596 3.678 1.00 0.00 C ATOM 1349 NZ LYS B 3 -12.516 5.205 4.890 1.00 0.00 N ATOM 0 HA LYS B 3 -9.524 4.615 -0.395 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -11.588 2.996 0.663 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -10.147 2.290 1.366 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -9.565 4.268 2.519 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -10.405 5.306 1.383 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -12.608 4.280 2.201 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -11.695 3.448 3.444 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -10.732 5.921 3.941 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -12.214 6.425 3.154 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -12.816 6.060 5.401 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -13.354 4.660 4.604 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -11.920 4.622 5.511 1.00 0.00 H new ATOM 1363 N GLU B 4 -7.426 3.350 -0.988 1.00 0.00 N ATOM 1364 CA GLU B 4 -6.107 2.658 -1.038 1.00 0.00 C ATOM 1365 C GLU B 4 -5.068 3.456 -0.244 1.00 0.00 C ATOM 1366 O GLU B 4 -4.170 4.054 -0.802 1.00 0.00 O ATOM 1367 CB GLU B 4 -5.737 2.621 -2.522 1.00 0.00 C ATOM 1368 CG GLU B 4 -4.600 1.621 -2.741 1.00 0.00 C ATOM 1369 CD GLU B 4 -3.445 2.314 -3.466 1.00 0.00 C ATOM 1370 OE1 GLU B 4 -3.219 3.483 -3.197 1.00 0.00 O ATOM 1371 OE2 GLU B 4 -2.806 1.666 -4.278 1.00 0.00 O ATOM 0 H GLU B 4 -7.462 4.253 -1.462 1.00 0.00 H new ATOM 0 HA GLU B 4 -6.143 1.659 -0.603 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -6.605 2.337 -3.117 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -5.432 3.613 -2.856 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -4.259 1.227 -1.784 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -4.955 0.773 -3.327 1.00 0.00 H new ATOM 1378 N SER B 5 -5.191 3.477 1.056 1.00 0.00 N ATOM 1379 CA SER B 5 -4.219 4.244 1.888 1.00 0.00 C ATOM 1380 C SER B 5 -2.810 3.661 1.751 1.00 0.00 C ATOM 1381 O SER B 5 -2.576 2.741 0.994 1.00 0.00 O ATOM 1382 CB SER B 5 -4.722 4.090 3.324 1.00 0.00 C ATOM 1383 OG SER B 5 -5.531 5.206 3.663 1.00 0.00 O ATOM 0 H SER B 5 -5.923 2.996 1.578 1.00 0.00 H new ATOM 0 HA SER B 5 -4.156 5.288 1.582 1.00 0.00 H new ATOM 0 HB2 SER B 5 -5.295 3.168 3.423 1.00 0.00 H new ATOM 0 HB3 SER B 5 -3.879 4.017 4.010 1.00 0.00 H new ATOM 0 HG SER B 5 -5.006 5.841 4.194 1.00 0.00 H new ATOM 1389 N LEU B 6 -1.871 4.195 2.485 1.00 0.00 N ATOM 1390 CA LEU B 6 -0.474 3.682 2.410 1.00 0.00 C ATOM 1391 C LEU B 6 0.302 4.099 3.665 1.00 0.00 C ATOM 1392 O LEU B 6 0.906 5.153 3.711 1.00 0.00 O ATOM 1393 CB LEU B 6 0.117 4.331 1.149 1.00 0.00 C ATOM 1394 CG LEU B 6 1.636 4.123 1.102 1.00 0.00 C ATOM 1395 CD1 LEU B 6 1.958 2.629 1.201 1.00 0.00 C ATOM 1396 CD2 LEU B 6 2.183 4.675 -0.215 1.00 0.00 C ATOM 0 H LEU B 6 -2.013 4.968 3.136 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.425 2.594 2.360 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -0.343 3.899 0.260 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.111 5.397 1.140 1.00 0.00 H new ATOM 0 HG LEU B 6 2.098 4.646 1.939 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.038 2.487 1.167 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.569 2.234 2.140 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.496 2.101 0.367 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.262 4.528 -0.251 1.00 0.00 H new ATOM 0 HD22 LEU B 6 1.718 4.151 -1.050 1.00 0.00 H new ATOM 0 HD23 LEU B 6 1.959 5.739 -0.284 1.00 0.00 H new ATOM 1408 N VAL B 7 0.287 3.281 4.681 1.00 0.00 N ATOM 1409 CA VAL B 7 1.021 3.629 5.931 1.00 0.00 C ATOM 1410 C VAL B 7 2.475 3.157 5.837 1.00 0.00 C ATOM 1411 O VAL B 7 3.199 3.335 6.803 1.00 0.00 O ATOM 1412 CB VAL B 7 0.282 2.881 7.042 1.00 0.00 C ATOM 1413 CG1 VAL B 7 1.019 3.079 8.369 1.00 0.00 C ATOM 1414 CG2 VAL B 7 -1.142 3.427 7.164 1.00 0.00 C ATOM 1415 OXT VAL B 7 2.839 2.626 4.800 1.00 0.00 O ATOM 0 H VAL B 7 -0.202 2.386 4.700 1.00 0.00 H new ATOM 0 HA VAL B 7 1.048 4.704 6.112 1.00 0.00 H new ATOM 0 HB VAL B 7 0.245 1.818 6.802 1.00 0.00 H new ATOM 0 HG11 VAL B 7 0.492 2.546 9.161 1.00 0.00 H new ATOM 0 HG12 VAL B 7 2.034 2.691 8.283 1.00 0.00 H new ATOM 0 HG13 VAL B 7 1.056 4.141 8.610 1.00 0.00 H new ATOM 0 HG21 VAL B 7 -1.669 2.894 7.955 1.00 0.00 H new ATOM 0 HG22 VAL B 7 -1.105 4.490 7.404 1.00 0.00 H new ATOM 0 HG23 VAL B 7 -1.668 3.286 6.220 1.00 0.00 H new TER 1425 VAL B 7