USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 946 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 1 MET CE :methyl 140:sc= -0.346 (180deg=-2.05) USER MOD Set 1.2: B 48 TYR OH : rot 180:sc= -0.0078 USER MOD Single : A 1 MET N :NH3+ 177:sc= 0.874 (180deg=0.796) USER MOD Single : A 2 LYS NZ :NH3+ -131:sc= 0.493 (180deg=-0.605) USER MOD Single : A 3 SER OG : rot 78:sc= 1.68 USER MOD Single : A 9 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00325) USER MOD Single : A 18 MET CE :methyl 152:sc= -0.473 (180deg=-2.15) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -23:sc= 0.632 USER MOD Single : A 42 LYS NZ :NH3+ -149:sc= -2.01! (180deg=-4.18!) USER MOD Single : A 46 LYS NZ :NH3+ 145:sc= 1.38 (180deg=-0.545) USER MOD Single : A 47 LYS NZ :NH3+ 172:sc= 2.03 (180deg=1.54) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 54 CYS SG : rot -87:sc= 0.0365 USER MOD Single : B 1 MET CE :methyl 156:sc= -0.26 (180deg=-1.72) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0.881 (180deg=0.881) USER MOD Single : B 2 LYS NZ :NH3+ 164:sc= -0.077 (180deg=-0.738) USER MOD Single : B 3 SER OG : rot 87:sc= 1.53 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 MET CE :methyl -176:sc= -3.02! (180deg=-3.16!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 SER OG : rot -27:sc= 0.417 USER MOD Single : B 42 LYS NZ :NH3+ 139:sc= -0.471 (180deg=-1.78!) USER MOD Single : B 46 LYS NZ :NH3+ 137:sc= 0.681 (180deg=-2.84!) USER MOD Single : B 47 LYS NZ :NH3+ 177:sc= 1.51 (180deg=1.28) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc=-0.00542 X(o=-0.0054,f=-0.0054) USER MOD Single : B 54 CYS SG : rot -98:sc= -1.46 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.480 4.255 -11.987 1.00 2.39 N ATOM 2 CA MET A 1 -8.647 5.718 -12.155 1.00 1.49 C ATOM 3 C MET A 1 -7.416 6.473 -11.653 1.00 1.24 C ATOM 4 O MET A 1 -7.070 7.527 -12.184 1.00 1.91 O ATOM 5 CB MET A 1 -9.914 6.205 -11.441 1.00 2.01 C ATOM 6 CG MET A 1 -9.991 5.816 -9.976 1.00 2.70 C ATOM 7 SD MET A 1 -11.524 6.345 -9.187 1.00 3.90 S ATOM 8 CE MET A 1 -12.744 5.550 -10.230 1.00 4.80 C ATOM 0 H1 MET A 1 -9.349 3.770 -12.288 1.00 2.39 H new ATOM 0 H2 MET A 1 -7.682 3.928 -12.568 1.00 2.39 H new ATOM 0 H3 MET A 1 -8.292 4.040 -10.987 1.00 2.39 H new ATOM 0 HA MET A 1 -8.755 5.924 -13.220 1.00 1.49 H new ATOM 0 HB2 MET A 1 -9.968 7.291 -11.520 1.00 2.01 H new ATOM 0 HB3 MET A 1 -10.786 5.804 -11.958 1.00 2.01 H new ATOM 0 HG2 MET A 1 -9.898 4.734 -9.888 1.00 2.70 H new ATOM 0 HG3 MET A 1 -9.146 6.253 -9.445 1.00 2.70 H new ATOM 0 HE1 MET A 1 -13.552 5.159 -9.612 1.00 4.80 H new ATOM 0 HE2 MET A 1 -13.146 6.275 -10.937 1.00 4.80 H new ATOM 0 HE3 MET A 1 -12.277 4.731 -10.777 1.00 4.80 H new ATOM 20 N LYS A 2 -6.744 5.929 -10.642 1.00 0.91 N ATOM 21 CA LYS A 2 -5.544 6.562 -10.101 1.00 0.58 C ATOM 22 C LYS A 2 -4.359 6.374 -11.048 1.00 0.56 C ATOM 23 O LYS A 2 -4.511 5.786 -12.119 1.00 0.81 O ATOM 24 CB LYS A 2 -5.231 5.998 -8.715 1.00 0.74 C ATOM 25 CG LYS A 2 -6.344 6.278 -7.722 1.00 0.82 C ATOM 26 CD LYS A 2 -6.037 5.762 -6.328 1.00 0.85 C ATOM 27 CE LYS A 2 -5.228 6.753 -5.503 1.00 1.75 C ATOM 28 NZ LYS A 2 -5.954 8.034 -5.274 1.00 2.48 N ATOM 0 H LYS A 2 -7.007 5.057 -10.183 1.00 0.91 H new ATOM 0 HA LYS A 2 -5.727 7.632 -10.005 1.00 0.58 H new ATOM 0 HB2 LYS A 2 -5.073 4.922 -8.789 1.00 0.74 H new ATOM 0 HB3 LYS A 2 -4.301 6.432 -8.349 1.00 0.74 H new ATOM 0 HG2 LYS A 2 -6.520 7.353 -7.675 1.00 0.82 H new ATOM 0 HG3 LYS A 2 -7.266 5.819 -8.079 1.00 0.82 H new ATOM 0 HD2 LYS A 2 -6.972 5.542 -5.812 1.00 0.85 H new ATOM 0 HD3 LYS A 2 -5.487 4.824 -6.405 1.00 0.85 H new ATOM 0 HE2 LYS A 2 -4.980 6.303 -4.542 1.00 1.75 H new ATOM 0 HE3 LYS A 2 -4.286 6.959 -6.011 1.00 1.75 H new ATOM 0 HZ1 LYS A 2 -5.329 8.833 -5.505 1.00 2.48 H new ATOM 0 HZ2 LYS A 2 -6.798 8.068 -5.881 1.00 2.48 H new ATOM 0 HZ3 LYS A 2 -6.242 8.096 -4.277 1.00 2.48 H new ATOM 42 N SER A 3 -3.192 6.880 -10.655 1.00 0.41 N ATOM 43 CA SER A 3 -1.972 6.759 -11.458 1.00 0.39 C ATOM 44 C SER A 3 -1.743 5.331 -11.930 1.00 0.37 C ATOM 45 O SER A 3 -1.562 5.074 -13.120 1.00 0.48 O ATOM 46 CB SER A 3 -0.774 7.207 -10.634 1.00 0.37 C ATOM 47 OG SER A 3 -0.913 8.549 -10.232 1.00 1.00 O ATOM 0 H SER A 3 -3.063 7.383 -9.777 1.00 0.41 H new ATOM 0 HA SER A 3 -2.091 7.393 -12.337 1.00 0.39 H new ATOM 0 HB2 SER A 3 -0.673 6.569 -9.756 1.00 0.37 H new ATOM 0 HB3 SER A 3 0.138 7.091 -11.219 1.00 0.37 H new ATOM 0 HG SER A 3 -1.533 8.601 -9.475 1.00 1.00 H new ATOM 53 N ILE A 4 -1.753 4.404 -10.990 1.00 0.29 N ATOM 54 CA ILE A 4 -1.576 3.007 -11.321 1.00 0.27 C ATOM 55 C ILE A 4 -2.913 2.455 -11.784 1.00 0.29 C ATOM 56 O ILE A 4 -2.983 1.578 -12.644 1.00 0.34 O ATOM 57 CB ILE A 4 -1.049 2.195 -10.118 1.00 0.25 C ATOM 58 CG1 ILE A 4 -0.124 3.060 -9.252 1.00 0.31 C ATOM 59 CG2 ILE A 4 -0.306 0.962 -10.613 1.00 0.26 C ATOM 60 CD1 ILE A 4 0.445 2.337 -8.049 1.00 0.26 C ATOM 0 H ILE A 4 -1.881 4.594 -9.996 1.00 0.29 H new ATOM 0 HA ILE A 4 -0.831 2.921 -12.112 1.00 0.27 H new ATOM 0 HB ILE A 4 -1.896 1.879 -9.508 1.00 0.25 H new ATOM 0 HG12 ILE A 4 0.699 3.423 -9.868 1.00 0.31 H new ATOM 0 HG13 ILE A 4 -0.677 3.935 -8.910 1.00 0.31 H new ATOM 0 HG21 ILE A 4 0.064 0.393 -9.760 1.00 0.26 H new ATOM 0 HG22 ILE A 4 -0.983 0.340 -11.198 1.00 0.26 H new ATOM 0 HG23 ILE A 4 0.534 1.269 -11.236 1.00 0.26 H new ATOM 0 HD11 ILE A 4 1.088 3.015 -7.488 1.00 0.26 H new ATOM 0 HD12 ILE A 4 -0.370 1.997 -7.410 1.00 0.26 H new ATOM 0 HD13 ILE A 4 1.027 1.478 -8.383 1.00 0.26 H new ATOM 72 N GLY A 5 -3.973 3.008 -11.202 1.00 0.31 N ATOM 73 CA GLY A 5 -5.323 2.697 -11.627 1.00 0.35 C ATOM 74 C GLY A 5 -5.755 1.315 -11.224 1.00 0.33 C ATOM 75 O GLY A 5 -6.772 0.807 -11.699 1.00 0.51 O ATOM 0 H GLY A 5 -3.917 3.675 -10.433 1.00 0.31 H new ATOM 0 HA2 GLY A 5 -6.011 3.427 -11.200 1.00 0.35 H new ATOM 0 HA3 GLY A 5 -5.389 2.792 -12.711 1.00 0.35 H new ATOM 79 N VAL A 6 -4.991 0.704 -10.341 1.00 0.18 N ATOM 80 CA VAL A 6 -5.276 -0.645 -9.920 1.00 0.15 C ATOM 81 C VAL A 6 -5.786 -0.674 -8.490 1.00 0.14 C ATOM 82 O VAL A 6 -5.210 -0.060 -7.585 1.00 0.17 O ATOM 83 CB VAL A 6 -4.038 -1.562 -10.060 1.00 0.16 C ATOM 84 CG1 VAL A 6 -3.666 -1.744 -11.522 1.00 0.23 C ATOM 85 CG2 VAL A 6 -2.856 -1.002 -9.294 1.00 0.17 C ATOM 0 H VAL A 6 -4.170 1.123 -9.904 1.00 0.18 H new ATOM 0 HA VAL A 6 -6.056 -1.027 -10.579 1.00 0.15 H new ATOM 0 HB VAL A 6 -4.297 -2.533 -9.638 1.00 0.16 H new ATOM 0 HG11 VAL A 6 -2.793 -2.392 -11.597 1.00 0.23 H new ATOM 0 HG12 VAL A 6 -4.501 -2.197 -12.056 1.00 0.23 H new ATOM 0 HG13 VAL A 6 -3.437 -0.774 -11.963 1.00 0.23 H new ATOM 0 HG21 VAL A 6 -2.000 -1.666 -9.410 1.00 0.17 H new ATOM 0 HG22 VAL A 6 -2.605 -0.015 -9.683 1.00 0.17 H new ATOM 0 HG23 VAL A 6 -3.112 -0.921 -8.238 1.00 0.17 H new ATOM 95 N VAL A 7 -6.879 -1.392 -8.312 1.00 0.14 N ATOM 96 CA VAL A 7 -7.467 -1.590 -7.008 1.00 0.13 C ATOM 97 C VAL A 7 -7.258 -3.032 -6.577 1.00 0.14 C ATOM 98 O VAL A 7 -7.332 -3.956 -7.391 1.00 0.17 O ATOM 99 CB VAL A 7 -8.972 -1.219 -6.999 1.00 0.13 C ATOM 100 CG1 VAL A 7 -9.749 -2.037 -8.019 1.00 0.16 C ATOM 101 CG2 VAL A 7 -9.563 -1.390 -5.608 1.00 0.13 C ATOM 0 H VAL A 7 -7.382 -1.853 -9.070 1.00 0.14 H new ATOM 0 HA VAL A 7 -6.973 -0.927 -6.297 1.00 0.13 H new ATOM 0 HB VAL A 7 -9.056 -0.169 -7.280 1.00 0.13 H new ATOM 0 HG11 VAL A 7 -10.801 -1.753 -7.988 1.00 0.16 H new ATOM 0 HG12 VAL A 7 -9.351 -1.848 -9.016 1.00 0.16 H new ATOM 0 HG13 VAL A 7 -9.652 -3.097 -7.785 1.00 0.16 H new ATOM 0 HG21 VAL A 7 -10.620 -1.124 -5.626 1.00 0.13 H new ATOM 0 HG22 VAL A 7 -9.456 -2.428 -5.292 1.00 0.13 H new ATOM 0 HG23 VAL A 7 -9.038 -0.741 -4.907 1.00 0.13 H new ATOM 111 N ARG A 8 -6.969 -3.222 -5.308 1.00 0.14 N ATOM 112 CA ARG A 8 -6.648 -4.533 -4.791 1.00 0.15 C ATOM 113 C ARG A 8 -7.702 -4.984 -3.820 1.00 0.14 C ATOM 114 O ARG A 8 -8.458 -4.172 -3.285 1.00 0.17 O ATOM 115 CB ARG A 8 -5.286 -4.529 -4.105 1.00 0.18 C ATOM 116 CG ARG A 8 -4.192 -5.225 -4.902 1.00 0.28 C ATOM 117 CD ARG A 8 -4.194 -4.783 -6.359 1.00 0.34 C ATOM 118 NE ARG A 8 -2.940 -5.102 -7.034 1.00 0.67 N ATOM 119 CZ ARG A 8 -2.825 -5.337 -8.339 1.00 0.56 C ATOM 120 NH1 ARG A 8 -3.897 -5.313 -9.123 1.00 0.87 N ATOM 121 NH2 ARG A 8 -1.633 -5.607 -8.856 1.00 1.21 N ATOM 0 H ARG A 8 -6.950 -2.478 -4.611 1.00 0.14 H new ATOM 0 HA ARG A 8 -6.613 -5.226 -5.631 1.00 0.15 H new ATOM 0 HB2 ARG A 8 -4.987 -3.497 -3.920 1.00 0.18 H new ATOM 0 HB3 ARG A 8 -5.378 -5.014 -3.133 1.00 0.18 H new ATOM 0 HG2 ARG A 8 -3.221 -5.007 -4.456 1.00 0.28 H new ATOM 0 HG3 ARG A 8 -4.332 -6.305 -4.848 1.00 0.28 H new ATOM 0 HD2 ARG A 8 -5.019 -5.266 -6.882 1.00 0.34 H new ATOM 0 HD3 ARG A 8 -4.369 -3.708 -6.411 1.00 0.34 H new ATOM 0 HE ARG A 8 -2.094 -5.148 -6.467 1.00 0.67 H new ATOM 0 HH11 ARG A 8 -4.815 -5.114 -8.726 1.00 0.87 H new ATOM 0 HH12 ARG A 8 -3.802 -5.494 -10.122 1.00 0.87 H new ATOM 0 HH21 ARG A 8 -0.810 -5.634 -8.254 1.00 1.21 H new ATOM 0 HH22 ARG A 8 -1.540 -5.788 -9.855 1.00 1.21 H new ATOM 135 N LYS A 9 -7.754 -6.277 -3.607 1.00 0.14 N ATOM 136 CA LYS A 9 -8.696 -6.854 -2.686 1.00 0.15 C ATOM 137 C LYS A 9 -7.924 -7.627 -1.637 1.00 0.17 C ATOM 138 O LYS A 9 -7.138 -8.517 -1.969 1.00 0.22 O ATOM 139 CB LYS A 9 -9.689 -7.760 -3.422 1.00 0.22 C ATOM 140 CG LYS A 9 -10.298 -7.124 -4.670 1.00 0.51 C ATOM 141 CD LYS A 9 -10.977 -5.795 -4.358 1.00 0.36 C ATOM 142 CE LYS A 9 -11.521 -5.125 -5.609 1.00 0.98 C ATOM 143 NZ LYS A 9 -12.690 -5.852 -6.165 1.00 1.13 N ATOM 0 H LYS A 9 -7.146 -6.954 -4.067 1.00 0.14 H new ATOM 0 HA LYS A 9 -9.277 -6.067 -2.205 1.00 0.15 H new ATOM 0 HB2 LYS A 9 -9.183 -8.682 -3.706 1.00 0.22 H new ATOM 0 HB3 LYS A 9 -10.492 -8.035 -2.738 1.00 0.22 H new ATOM 0 HG2 LYS A 9 -9.518 -6.967 -5.415 1.00 0.51 H new ATOM 0 HG3 LYS A 9 -11.024 -7.808 -5.109 1.00 0.51 H new ATOM 0 HD2 LYS A 9 -11.791 -5.961 -3.653 1.00 0.36 H new ATOM 0 HD3 LYS A 9 -10.264 -5.129 -3.871 1.00 0.36 H new ATOM 0 HE2 LYS A 9 -11.809 -4.100 -5.375 1.00 0.98 H new ATOM 0 HE3 LYS A 9 -10.735 -5.071 -6.363 1.00 0.98 H new ATOM 0 HZ1 LYS A 9 -13.041 -5.353 -7.007 1.00 1.13 H new ATOM 0 HZ2 LYS A 9 -12.406 -6.817 -6.428 1.00 1.13 H new ATOM 0 HZ3 LYS A 9 -13.444 -5.896 -5.450 1.00 1.13 H new ATOM 157 N VAL A 10 -8.119 -7.245 -0.385 1.00 0.16 N ATOM 158 CA VAL A 10 -7.417 -7.854 0.732 1.00 0.18 C ATOM 159 C VAL A 10 -7.620 -9.365 0.745 1.00 0.20 C ATOM 160 O VAL A 10 -8.668 -9.864 0.342 1.00 0.24 O ATOM 161 CB VAL A 10 -7.883 -7.228 2.070 1.00 0.18 C ATOM 162 CG1 VAL A 10 -7.471 -8.067 3.264 1.00 0.20 C ATOM 163 CG2 VAL A 10 -7.326 -5.825 2.209 1.00 0.18 C ATOM 0 H VAL A 10 -8.767 -6.505 -0.115 1.00 0.16 H new ATOM 0 HA VAL A 10 -6.351 -7.659 0.612 1.00 0.18 H new ATOM 0 HB VAL A 10 -8.972 -7.191 2.052 1.00 0.18 H new ATOM 0 HG11 VAL A 10 -7.818 -7.591 4.181 1.00 0.20 H new ATOM 0 HG12 VAL A 10 -7.913 -9.060 3.181 1.00 0.20 H new ATOM 0 HG13 VAL A 10 -6.385 -8.155 3.290 1.00 0.20 H new ATOM 0 HG21 VAL A 10 -7.659 -5.393 3.153 1.00 0.18 H new ATOM 0 HG22 VAL A 10 -6.237 -5.863 2.192 1.00 0.18 H new ATOM 0 HG23 VAL A 10 -7.681 -5.209 1.383 1.00 0.18 H new ATOM 173 N ASP A 11 -6.590 -10.080 1.165 1.00 0.17 N ATOM 174 CA ASP A 11 -6.644 -11.527 1.261 1.00 0.21 C ATOM 175 C ASP A 11 -7.661 -11.923 2.326 1.00 0.22 C ATOM 176 O ASP A 11 -8.770 -12.352 2.012 1.00 0.24 O ATOM 177 CB ASP A 11 -5.254 -12.071 1.606 1.00 0.24 C ATOM 178 CG ASP A 11 -5.164 -13.575 1.502 1.00 0.58 C ATOM 179 OD1 ASP A 11 -4.890 -14.080 0.391 1.00 1.31 O ATOM 180 OD2 ASP A 11 -5.339 -14.252 2.531 1.00 1.30 O ATOM 0 H ASP A 11 -5.697 -9.675 1.448 1.00 0.17 H new ATOM 0 HA ASP A 11 -6.953 -11.953 0.306 1.00 0.21 H new ATOM 0 HB2 ASP A 11 -4.519 -11.622 0.938 1.00 0.24 H new ATOM 0 HB3 ASP A 11 -4.992 -11.767 2.619 1.00 0.24 H new ATOM 185 N GLU A 12 -7.265 -11.754 3.583 1.00 0.23 N ATOM 186 CA GLU A 12 -8.165 -11.885 4.731 1.00 0.25 C ATOM 187 C GLU A 12 -7.640 -11.018 5.865 1.00 0.26 C ATOM 188 O GLU A 12 -8.395 -10.364 6.586 1.00 0.30 O ATOM 189 CB GLU A 12 -8.259 -13.336 5.232 1.00 0.29 C ATOM 190 CG GLU A 12 -8.788 -14.324 4.211 1.00 0.33 C ATOM 191 CD GLU A 12 -9.215 -15.632 4.837 1.00 0.40 C ATOM 192 OE1 GLU A 12 -10.360 -15.708 5.334 1.00 1.10 O ATOM 193 OE2 GLU A 12 -8.412 -16.589 4.844 1.00 1.23 O ATOM 0 H GLU A 12 -6.306 -11.521 3.839 1.00 0.23 H new ATOM 0 HA GLU A 12 -9.159 -11.571 4.413 1.00 0.25 H new ATOM 0 HB2 GLU A 12 -7.269 -13.660 5.553 1.00 0.29 H new ATOM 0 HB3 GLU A 12 -8.903 -13.362 6.111 1.00 0.29 H new ATOM 0 HG2 GLU A 12 -9.636 -13.882 3.688 1.00 0.33 H new ATOM 0 HG3 GLU A 12 -8.018 -14.517 3.464 1.00 0.33 H new ATOM 200 N LEU A 13 -6.321 -11.032 6.000 1.00 0.26 N ATOM 201 CA LEU A 13 -5.620 -10.329 7.068 1.00 0.27 C ATOM 202 C LEU A 13 -5.423 -8.856 6.725 1.00 0.26 C ATOM 203 O LEU A 13 -5.456 -7.987 7.593 1.00 0.41 O ATOM 204 CB LEU A 13 -4.251 -10.977 7.249 1.00 0.30 C ATOM 205 CG LEU A 13 -4.251 -12.502 7.325 1.00 0.31 C ATOM 206 CD1 LEU A 13 -2.840 -13.028 7.110 1.00 0.85 C ATOM 207 CD2 LEU A 13 -4.806 -12.974 8.661 1.00 0.72 C ATOM 0 H LEU A 13 -5.701 -11.536 5.366 1.00 0.26 H new ATOM 0 HA LEU A 13 -6.214 -10.393 7.980 1.00 0.27 H new ATOM 0 HB2 LEU A 13 -3.611 -10.672 6.421 1.00 0.30 H new ATOM 0 HB3 LEU A 13 -3.800 -10.585 8.161 1.00 0.30 H new ATOM 0 HG LEU A 13 -4.896 -12.895 6.539 1.00 0.31 H new ATOM 0 HD11 LEU A 13 -2.845 -14.117 7.165 1.00 0.85 H new ATOM 0 HD12 LEU A 13 -2.481 -12.716 6.129 1.00 0.85 H new ATOM 0 HD13 LEU A 13 -2.181 -12.629 7.881 1.00 0.85 H new ATOM 0 HD21 LEU A 13 -4.797 -14.063 8.694 1.00 0.72 H new ATOM 0 HD22 LEU A 13 -4.190 -12.581 9.470 1.00 0.72 H new ATOM 0 HD23 LEU A 13 -5.829 -12.616 8.777 1.00 0.72 H new ATOM 219 N GLY A 14 -5.213 -8.595 5.448 1.00 0.17 N ATOM 220 CA GLY A 14 -4.854 -7.265 5.003 1.00 0.16 C ATOM 221 C GLY A 14 -3.836 -7.325 3.888 1.00 0.12 C ATOM 222 O GLY A 14 -3.551 -6.329 3.235 1.00 0.12 O ATOM 0 H GLY A 14 -5.285 -9.287 4.702 1.00 0.17 H new ATOM 0 HA2 GLY A 14 -5.745 -6.740 4.659 1.00 0.16 H new ATOM 0 HA3 GLY A 14 -4.450 -6.694 5.839 1.00 0.16 H new ATOM 226 N ARG A 15 -3.289 -8.517 3.676 1.00 0.12 N ATOM 227 CA ARG A 15 -2.302 -8.743 2.630 1.00 0.11 C ATOM 228 C ARG A 15 -2.902 -8.483 1.251 1.00 0.10 C ATOM 229 O ARG A 15 -3.997 -8.958 0.950 1.00 0.14 O ATOM 230 CB ARG A 15 -1.785 -10.182 2.697 1.00 0.15 C ATOM 231 CG ARG A 15 -1.362 -10.615 4.090 1.00 0.25 C ATOM 232 CD ARG A 15 -0.558 -11.900 4.042 1.00 0.40 C ATOM 233 NE ARG A 15 0.165 -12.145 5.288 1.00 1.45 N ATOM 234 CZ ARG A 15 1.248 -12.916 5.377 1.00 1.87 C ATOM 235 NH1 ARG A 15 1.699 -13.562 4.303 1.00 1.51 N ATOM 236 NH2 ARG A 15 1.875 -13.049 6.539 1.00 3.03 N ATOM 0 H ARG A 15 -3.516 -9.348 4.222 1.00 0.12 H new ATOM 0 HA ARG A 15 -1.476 -8.050 2.789 1.00 0.11 H new ATOM 0 HB2 ARG A 15 -2.563 -10.855 2.338 1.00 0.15 H new ATOM 0 HB3 ARG A 15 -0.937 -10.286 2.021 1.00 0.15 H new ATOM 0 HG2 ARG A 15 -0.768 -9.828 4.554 1.00 0.25 H new ATOM 0 HG3 ARG A 15 -2.245 -10.758 4.713 1.00 0.25 H new ATOM 0 HD2 ARG A 15 -1.226 -12.737 3.841 1.00 0.40 H new ATOM 0 HD3 ARG A 15 0.151 -11.852 3.216 1.00 0.40 H new ATOM 0 HE ARG A 15 -0.179 -11.700 6.139 1.00 1.45 H new ATOM 0 HH11 ARG A 15 1.215 -13.467 3.410 1.00 1.51 H new ATOM 0 HH12 ARG A 15 2.528 -14.152 4.373 1.00 1.51 H new ATOM 0 HH21 ARG A 15 1.528 -12.561 7.365 1.00 3.03 H new ATOM 0 HH22 ARG A 15 2.704 -13.639 6.607 1.00 3.03 H new ATOM 250 N ILE A 16 -2.194 -7.713 0.428 1.00 0.09 N ATOM 251 CA ILE A 16 -2.622 -7.458 -0.947 1.00 0.09 C ATOM 252 C ILE A 16 -1.399 -7.485 -1.864 1.00 0.10 C ATOM 253 O ILE A 16 -0.266 -7.612 -1.400 1.00 0.12 O ATOM 254 CB ILE A 16 -3.381 -6.102 -1.119 1.00 0.10 C ATOM 255 CG1 ILE A 16 -2.424 -4.965 -1.499 1.00 0.11 C ATOM 256 CG2 ILE A 16 -4.158 -5.741 0.141 1.00 0.13 C ATOM 257 CD1 ILE A 16 -3.074 -3.596 -1.515 1.00 0.13 C ATOM 0 H ILE A 16 -1.321 -7.254 0.689 1.00 0.09 H new ATOM 0 HA ILE A 16 -3.328 -8.244 -1.215 1.00 0.09 H new ATOM 0 HB ILE A 16 -4.091 -6.233 -1.935 1.00 0.10 H new ATOM 0 HG12 ILE A 16 -1.592 -4.953 -0.795 1.00 0.11 H new ATOM 0 HG13 ILE A 16 -2.005 -5.169 -2.484 1.00 0.11 H new ATOM 0 HG21 ILE A 16 -4.675 -4.793 -0.009 1.00 0.13 H new ATOM 0 HG22 ILE A 16 -4.887 -6.522 0.355 1.00 0.13 H new ATOM 0 HG23 ILE A 16 -3.468 -5.649 0.980 1.00 0.13 H new ATOM 0 HD11 ILE A 16 -2.334 -2.845 -1.792 1.00 0.13 H new ATOM 0 HD12 ILE A 16 -3.888 -3.588 -2.240 1.00 0.13 H new ATOM 0 HD13 ILE A 16 -3.468 -3.369 -0.524 1.00 0.13 H new ATOM 269 N VAL A 17 -1.620 -7.352 -3.154 1.00 0.10 N ATOM 270 CA VAL A 17 -0.531 -7.402 -4.108 1.00 0.11 C ATOM 271 C VAL A 17 -0.194 -6.004 -4.623 1.00 0.12 C ATOM 272 O VAL A 17 -0.998 -5.362 -5.295 1.00 0.19 O ATOM 273 CB VAL A 17 -0.844 -8.368 -5.279 1.00 0.15 C ATOM 274 CG1 VAL A 17 -2.197 -8.066 -5.913 1.00 0.19 C ATOM 275 CG2 VAL A 17 0.261 -8.332 -6.324 1.00 0.17 C ATOM 0 H VAL A 17 -2.542 -7.209 -3.567 1.00 0.10 H new ATOM 0 HA VAL A 17 0.345 -7.792 -3.589 1.00 0.11 H new ATOM 0 HB VAL A 17 -0.893 -9.375 -4.865 1.00 0.15 H new ATOM 0 HG11 VAL A 17 -2.380 -8.764 -6.730 1.00 0.19 H new ATOM 0 HG12 VAL A 17 -2.981 -8.171 -5.163 1.00 0.19 H new ATOM 0 HG13 VAL A 17 -2.198 -7.047 -6.300 1.00 0.19 H new ATOM 0 HG21 VAL A 17 0.017 -9.018 -7.135 1.00 0.17 H new ATOM 0 HG22 VAL A 17 0.354 -7.321 -6.720 1.00 0.17 H new ATOM 0 HG23 VAL A 17 1.204 -8.631 -5.867 1.00 0.17 H new ATOM 285 N MET A 18 0.985 -5.520 -4.270 1.00 0.11 N ATOM 286 CA MET A 18 1.455 -4.234 -4.761 1.00 0.12 C ATOM 287 C MET A 18 2.047 -4.429 -6.150 1.00 0.11 C ATOM 288 O MET A 18 2.519 -5.520 -6.471 1.00 0.13 O ATOM 289 CB MET A 18 2.491 -3.632 -3.807 1.00 0.15 C ATOM 290 CG MET A 18 1.955 -3.361 -2.408 1.00 0.28 C ATOM 291 SD MET A 18 1.541 -1.631 -2.121 1.00 0.84 S ATOM 292 CE MET A 18 0.128 -1.413 -3.189 1.00 0.80 C ATOM 0 H MET A 18 1.635 -5.998 -3.645 1.00 0.11 H new ATOM 0 HA MET A 18 0.619 -3.537 -4.815 1.00 0.12 H new ATOM 0 HB2 MET A 18 3.342 -4.310 -3.735 1.00 0.15 H new ATOM 0 HB3 MET A 18 2.862 -2.699 -4.231 1.00 0.15 H new ATOM 0 HG2 MET A 18 1.067 -3.971 -2.243 1.00 0.28 H new ATOM 0 HG3 MET A 18 2.698 -3.675 -1.675 1.00 0.28 H new ATOM 0 HE1 MET A 18 -0.516 -0.632 -2.785 1.00 0.80 H new ATOM 0 HE2 MET A 18 0.466 -1.126 -4.185 1.00 0.80 H new ATOM 0 HE3 MET A 18 -0.430 -2.348 -3.250 1.00 0.80 H new ATOM 302 N PRO A 19 2.026 -3.401 -7.003 1.00 0.12 N ATOM 303 CA PRO A 19 2.425 -3.553 -8.386 1.00 0.13 C ATOM 304 C PRO A 19 3.935 -3.447 -8.590 1.00 0.13 C ATOM 305 O PRO A 19 4.667 -2.851 -7.782 1.00 0.13 O ATOM 306 CB PRO A 19 1.696 -2.403 -9.082 1.00 0.15 C ATOM 307 CG PRO A 19 1.596 -1.332 -8.048 1.00 0.16 C ATOM 308 CD PRO A 19 1.641 -2.013 -6.696 1.00 0.15 C ATOM 0 HA PRO A 19 2.174 -4.539 -8.776 1.00 0.13 H new ATOM 0 HB2 PRO A 19 2.247 -2.058 -9.957 1.00 0.15 H new ATOM 0 HB3 PRO A 19 0.710 -2.712 -9.428 1.00 0.15 H new ATOM 0 HG2 PRO A 19 2.416 -0.621 -8.149 1.00 0.16 H new ATOM 0 HG3 PRO A 19 0.670 -0.769 -8.165 1.00 0.16 H new ATOM 0 HD2 PRO A 19 2.364 -1.536 -6.034 1.00 0.15 H new ATOM 0 HD3 PRO A 19 0.674 -1.969 -6.196 1.00 0.15 H new ATOM 316 N ILE A 20 4.398 -4.036 -9.679 1.00 0.15 N ATOM 317 CA ILE A 20 5.780 -3.893 -10.095 1.00 0.16 C ATOM 318 C ILE A 20 6.125 -2.415 -10.216 1.00 0.16 C ATOM 319 O ILE A 20 7.231 -1.998 -9.908 1.00 0.16 O ATOM 320 CB ILE A 20 6.033 -4.615 -11.438 1.00 0.20 C ATOM 321 CG1 ILE A 20 7.448 -4.345 -11.962 1.00 0.24 C ATOM 322 CG2 ILE A 20 4.992 -4.205 -12.471 1.00 0.22 C ATOM 323 CD1 ILE A 20 8.545 -4.886 -11.075 1.00 0.26 C ATOM 0 H ILE A 20 3.832 -4.621 -10.294 1.00 0.15 H new ATOM 0 HA ILE A 20 6.420 -4.354 -9.342 1.00 0.16 H new ATOM 0 HB ILE A 20 5.944 -5.687 -11.260 1.00 0.20 H new ATOM 0 HG12 ILE A 20 7.547 -4.785 -12.954 1.00 0.24 H new ATOM 0 HG13 ILE A 20 7.583 -3.269 -12.075 1.00 0.24 H new ATOM 0 HG21 ILE A 20 5.187 -4.724 -13.410 1.00 0.22 H new ATOM 0 HG22 ILE A 20 3.998 -4.469 -12.110 1.00 0.22 H new ATOM 0 HG23 ILE A 20 5.045 -3.128 -12.634 1.00 0.22 H new ATOM 0 HD11 ILE A 20 9.515 -4.655 -11.514 1.00 0.26 H new ATOM 0 HD12 ILE A 20 8.475 -4.428 -10.089 1.00 0.26 H new ATOM 0 HD13 ILE A 20 8.438 -5.967 -10.981 1.00 0.26 H new ATOM 335 N GLU A 21 5.134 -1.631 -10.615 1.00 0.16 N ATOM 336 CA GLU A 21 5.276 -0.190 -10.758 1.00 0.17 C ATOM 337 C GLU A 21 5.652 0.456 -9.431 1.00 0.16 C ATOM 338 O GLU A 21 6.299 1.495 -9.403 1.00 0.19 O ATOM 339 CB GLU A 21 3.966 0.388 -11.275 1.00 0.18 C ATOM 340 CG GLU A 21 3.406 -0.406 -12.438 1.00 0.21 C ATOM 341 CD GLU A 21 4.291 -0.349 -13.669 1.00 0.28 C ATOM 342 OE1 GLU A 21 5.185 -1.211 -13.800 1.00 1.08 O ATOM 343 OE2 GLU A 21 4.094 0.546 -14.516 1.00 1.03 O ATOM 0 H GLU A 21 4.204 -1.979 -10.850 1.00 0.16 H new ATOM 0 HA GLU A 21 6.077 0.020 -11.467 1.00 0.17 H new ATOM 0 HB2 GLU A 21 3.236 0.407 -10.466 1.00 0.18 H new ATOM 0 HB3 GLU A 21 4.125 1.421 -11.586 1.00 0.18 H new ATOM 0 HG2 GLU A 21 3.279 -1.445 -12.135 1.00 0.21 H new ATOM 0 HG3 GLU A 21 2.416 -0.024 -12.690 1.00 0.21 H new ATOM 350 N LEU A 22 5.267 -0.182 -8.333 1.00 0.14 N ATOM 351 CA LEU A 22 5.630 0.292 -7.009 1.00 0.15 C ATOM 352 C LEU A 22 7.076 -0.069 -6.743 1.00 0.15 C ATOM 353 O LEU A 22 7.851 0.725 -6.210 1.00 0.17 O ATOM 354 CB LEU A 22 4.703 -0.319 -5.950 1.00 0.18 C ATOM 355 CG LEU A 22 5.370 -0.720 -4.633 1.00 0.15 C ATOM 356 CD1 LEU A 22 4.470 -0.391 -3.458 1.00 0.19 C ATOM 357 CD2 LEU A 22 5.689 -2.209 -4.644 1.00 0.20 C ATOM 0 H LEU A 22 4.702 -1.031 -8.336 1.00 0.14 H new ATOM 0 HA LEU A 22 5.516 1.375 -6.958 1.00 0.15 H new ATOM 0 HB2 LEU A 22 3.911 0.397 -5.731 1.00 0.18 H new ATOM 0 HB3 LEU A 22 4.226 -1.201 -6.377 1.00 0.18 H new ATOM 0 HG LEU A 22 6.297 -0.156 -4.528 1.00 0.15 H new ATOM 0 HD11 LEU A 22 4.962 -0.683 -2.530 1.00 0.19 H new ATOM 0 HD12 LEU A 22 4.271 0.681 -3.441 1.00 0.19 H new ATOM 0 HD13 LEU A 22 3.530 -0.933 -3.557 1.00 0.19 H new ATOM 0 HD21 LEU A 22 6.164 -2.486 -3.703 1.00 0.20 H new ATOM 0 HD22 LEU A 22 4.767 -2.778 -4.767 1.00 0.20 H new ATOM 0 HD23 LEU A 22 6.365 -2.430 -5.470 1.00 0.20 H new ATOM 369 N ARG A 23 7.439 -1.276 -7.154 1.00 0.13 N ATOM 370 CA ARG A 23 8.823 -1.729 -7.029 1.00 0.16 C ATOM 371 C ARG A 23 9.741 -0.863 -7.892 1.00 0.20 C ATOM 372 O ARG A 23 10.906 -0.639 -7.560 1.00 0.25 O ATOM 373 CB ARG A 23 8.965 -3.208 -7.429 1.00 0.18 C ATOM 374 CG ARG A 23 8.092 -4.155 -6.617 1.00 0.17 C ATOM 375 CD ARG A 23 8.519 -5.609 -6.787 1.00 0.24 C ATOM 376 NE ARG A 23 8.058 -6.202 -8.041 1.00 0.69 N ATOM 377 CZ ARG A 23 8.581 -7.307 -8.583 1.00 0.53 C ATOM 378 NH1 ARG A 23 9.648 -7.885 -8.040 1.00 0.46 N ATOM 379 NH2 ARG A 23 8.042 -7.830 -9.678 1.00 1.05 N ATOM 0 H ARG A 23 6.804 -1.955 -7.573 1.00 0.13 H new ATOM 0 HA ARG A 23 9.115 -1.632 -5.983 1.00 0.16 H new ATOM 0 HB2 ARG A 23 8.714 -3.314 -8.484 1.00 0.18 H new ATOM 0 HB3 ARG A 23 10.008 -3.506 -7.317 1.00 0.18 H new ATOM 0 HG2 ARG A 23 8.144 -3.882 -5.563 1.00 0.17 H new ATOM 0 HG3 ARG A 23 7.052 -4.044 -6.924 1.00 0.17 H new ATOM 0 HD2 ARG A 23 9.606 -5.669 -6.742 1.00 0.24 H new ATOM 0 HD3 ARG A 23 8.133 -6.194 -5.952 1.00 0.24 H new ATOM 0 HE ARG A 23 7.290 -5.745 -8.533 1.00 0.69 H new ATOM 0 HH11 ARG A 23 10.074 -7.486 -7.204 1.00 0.46 H new ATOM 0 HH12 ARG A 23 10.041 -8.728 -8.460 1.00 0.46 H new ATOM 0 HH21 ARG A 23 7.228 -7.389 -10.107 1.00 1.05 H new ATOM 0 HH22 ARG A 23 8.442 -8.673 -10.091 1.00 1.05 H new ATOM 393 N ARG A 24 9.181 -0.361 -8.985 1.00 0.18 N ATOM 394 CA ARG A 24 9.916 0.437 -9.958 1.00 0.21 C ATOM 395 C ARG A 24 9.951 1.897 -9.537 1.00 0.23 C ATOM 396 O ARG A 24 10.898 2.623 -9.839 1.00 0.27 O ATOM 397 CB ARG A 24 9.255 0.298 -11.329 1.00 0.22 C ATOM 398 CG ARG A 24 9.257 -1.127 -11.851 1.00 0.23 C ATOM 399 CD ARG A 24 8.355 -1.281 -13.065 1.00 0.25 C ATOM 400 NE ARG A 24 9.084 -1.147 -14.324 1.00 0.35 N ATOM 401 CZ ARG A 24 8.499 -1.012 -15.513 1.00 0.47 C ATOM 402 NH1 ARG A 24 7.175 -0.929 -15.609 1.00 0.41 N ATOM 403 NH2 ARG A 24 9.240 -0.974 -16.611 1.00 0.71 N ATOM 0 H ARG A 24 8.198 -0.497 -9.223 1.00 0.18 H new ATOM 0 HA ARG A 24 10.943 0.075 -10.012 1.00 0.21 H new ATOM 0 HB2 ARG A 24 8.227 0.654 -11.267 1.00 0.22 H new ATOM 0 HB3 ARG A 24 9.773 0.940 -12.042 1.00 0.22 H new ATOM 0 HG2 ARG A 24 10.274 -1.417 -12.114 1.00 0.23 H new ATOM 0 HG3 ARG A 24 8.926 -1.804 -11.063 1.00 0.23 H new ATOM 0 HD2 ARG A 24 7.870 -2.257 -13.032 1.00 0.25 H new ATOM 0 HD3 ARG A 24 7.565 -0.531 -13.024 1.00 0.25 H new ATOM 0 HE ARG A 24 10.103 -1.157 -14.290 1.00 0.35 H new ATOM 0 HH11 ARG A 24 6.599 -0.969 -14.768 1.00 0.41 H new ATOM 0 HH12 ARG A 24 6.735 -0.826 -16.524 1.00 0.41 H new ATOM 0 HH21 ARG A 24 10.255 -1.048 -16.544 1.00 0.71 H new ATOM 0 HH22 ARG A 24 8.795 -0.871 -17.523 1.00 0.71 H new ATOM 417 N ALA A 25 8.907 2.324 -8.842 1.00 0.21 N ATOM 418 CA ALA A 25 8.815 3.694 -8.361 1.00 0.23 C ATOM 419 C ALA A 25 9.820 3.913 -7.252 1.00 0.25 C ATOM 420 O ALA A 25 10.558 4.900 -7.236 1.00 0.26 O ATOM 421 CB ALA A 25 7.413 3.993 -7.856 1.00 0.23 C ATOM 0 H ALA A 25 8.108 1.738 -8.598 1.00 0.21 H new ATOM 0 HA ALA A 25 9.034 4.369 -9.188 1.00 0.23 H new ATOM 0 HB1 ALA A 25 7.366 5.022 -7.501 1.00 0.23 H new ATOM 0 HB2 ALA A 25 6.697 3.856 -8.667 1.00 0.23 H new ATOM 0 HB3 ALA A 25 7.169 3.316 -7.038 1.00 0.23 H new ATOM 427 N LEU A 26 9.859 2.961 -6.345 1.00 0.30 N ATOM 428 CA LEU A 26 10.719 3.047 -5.187 1.00 0.36 C ATOM 429 C LEU A 26 12.096 2.468 -5.471 1.00 0.39 C ATOM 430 O LEU A 26 12.972 3.151 -6.006 1.00 0.52 O ATOM 431 CB LEU A 26 10.073 2.309 -4.018 1.00 0.33 C ATOM 432 CG LEU A 26 8.804 2.954 -3.467 1.00 0.37 C ATOM 433 CD1 LEU A 26 8.108 2.019 -2.491 1.00 0.37 C ATOM 434 CD2 LEU A 26 9.136 4.275 -2.790 1.00 0.47 C ATOM 0 H LEU A 26 9.298 2.110 -6.390 1.00 0.30 H new ATOM 0 HA LEU A 26 10.848 4.099 -4.934 1.00 0.36 H new ATOM 0 HB2 LEU A 26 9.837 1.293 -4.335 1.00 0.33 H new ATOM 0 HB3 LEU A 26 10.802 2.230 -3.211 1.00 0.33 H new ATOM 0 HG LEU A 26 8.126 3.148 -4.298 1.00 0.37 H new ATOM 0 HD11 LEU A 26 7.206 2.497 -2.110 1.00 0.37 H new ATOM 0 HD12 LEU A 26 7.840 1.094 -3.001 1.00 0.37 H new ATOM 0 HD13 LEU A 26 8.778 1.795 -1.661 1.00 0.37 H new ATOM 0 HD21 LEU A 26 8.222 4.725 -2.401 1.00 0.47 H new ATOM 0 HD22 LEU A 26 9.831 4.099 -1.969 1.00 0.47 H new ATOM 0 HD23 LEU A 26 9.593 4.950 -3.514 1.00 0.47 H new ATOM 446 N ASP A 27 12.254 1.190 -5.143 1.00 0.32 N ATOM 447 CA ASP A 27 13.540 0.507 -5.186 1.00 0.41 C ATOM 448 C ASP A 27 13.362 -0.874 -4.575 1.00 0.35 C ATOM 449 O ASP A 27 13.966 -1.201 -3.561 1.00 0.57 O ATOM 450 CB ASP A 27 14.603 1.303 -4.409 1.00 0.60 C ATOM 451 CG ASP A 27 15.991 0.698 -4.492 1.00 0.85 C ATOM 452 OD1 ASP A 27 16.578 0.696 -5.593 1.00 1.72 O ATOM 453 OD2 ASP A 27 16.510 0.250 -3.446 1.00 1.36 O ATOM 0 H ASP A 27 11.485 0.594 -4.837 1.00 0.32 H new ATOM 0 HA ASP A 27 13.880 0.421 -6.218 1.00 0.41 H new ATOM 0 HB2 ASP A 27 14.636 2.322 -4.794 1.00 0.60 H new ATOM 0 HB3 ASP A 27 14.305 1.367 -3.362 1.00 0.60 H new ATOM 458 N ILE A 28 12.454 -1.647 -5.151 1.00 0.22 N ATOM 459 CA ILE A 28 12.186 -2.997 -4.666 1.00 0.18 C ATOM 460 C ILE A 28 12.600 -4.027 -5.705 1.00 0.22 C ATOM 461 O ILE A 28 12.249 -3.911 -6.881 1.00 0.28 O ATOM 462 CB ILE A 28 10.695 -3.218 -4.294 1.00 0.15 C ATOM 463 CG1 ILE A 28 10.311 -2.449 -3.023 1.00 0.14 C ATOM 464 CG2 ILE A 28 10.406 -4.699 -4.102 1.00 0.16 C ATOM 465 CD1 ILE A 28 10.188 -0.955 -3.211 1.00 0.19 C ATOM 0 H ILE A 28 11.890 -1.366 -5.953 1.00 0.22 H new ATOM 0 HA ILE A 28 12.776 -3.120 -3.758 1.00 0.18 H new ATOM 0 HB ILE A 28 10.094 -2.837 -5.120 1.00 0.15 H new ATOM 0 HG12 ILE A 28 9.362 -2.836 -2.652 1.00 0.14 H new ATOM 0 HG13 ILE A 28 11.058 -2.646 -2.254 1.00 0.14 H new ATOM 0 HG21 ILE A 28 9.356 -4.834 -3.842 1.00 0.16 H new ATOM 0 HG22 ILE A 28 10.623 -5.235 -5.026 1.00 0.16 H new ATOM 0 HG23 ILE A 28 11.032 -5.091 -3.300 1.00 0.16 H new ATOM 0 HD11 ILE A 28 9.914 -0.490 -2.264 1.00 0.19 H new ATOM 0 HD12 ILE A 28 11.142 -0.551 -3.551 1.00 0.19 H new ATOM 0 HD13 ILE A 28 9.419 -0.744 -3.954 1.00 0.19 H new ATOM 477 N ALA A 29 13.342 -5.030 -5.267 1.00 0.21 N ATOM 478 CA ALA A 29 13.835 -6.055 -6.171 1.00 0.25 C ATOM 479 C ALA A 29 13.017 -7.332 -6.061 1.00 0.25 C ATOM 480 O ALA A 29 12.493 -7.839 -7.053 1.00 0.30 O ATOM 481 CB ALA A 29 15.305 -6.337 -5.902 1.00 0.30 C ATOM 0 H ALA A 29 13.616 -5.156 -4.293 1.00 0.21 H new ATOM 0 HA ALA A 29 13.731 -5.681 -7.190 1.00 0.25 H new ATOM 0 HB1 ALA A 29 15.659 -7.107 -6.587 1.00 0.30 H new ATOM 0 HB2 ALA A 29 15.883 -5.425 -6.050 1.00 0.30 H new ATOM 0 HB3 ALA A 29 15.427 -6.681 -4.875 1.00 0.30 H new ATOM 487 N ILE A 30 12.899 -7.837 -4.851 1.00 0.23 N ATOM 488 CA ILE A 30 12.184 -9.085 -4.617 1.00 0.25 C ATOM 489 C ILE A 30 11.443 -9.019 -3.288 1.00 0.22 C ATOM 490 O ILE A 30 10.364 -9.573 -3.145 1.00 0.22 O ATOM 491 CB ILE A 30 13.152 -10.300 -4.671 1.00 0.29 C ATOM 492 CG1 ILE A 30 12.389 -11.641 -4.641 1.00 0.32 C ATOM 493 CG2 ILE A 30 14.183 -10.229 -3.550 1.00 0.30 C ATOM 494 CD1 ILE A 30 12.121 -12.198 -3.258 1.00 0.33 C ATOM 0 H ILE A 30 13.287 -7.407 -4.011 1.00 0.23 H new ATOM 0 HA ILE A 30 11.450 -9.223 -5.410 1.00 0.25 H new ATOM 0 HB ILE A 30 13.683 -10.251 -5.622 1.00 0.29 H new ATOM 0 HG12 ILE A 30 11.436 -11.510 -5.154 1.00 0.32 H new ATOM 0 HG13 ILE A 30 12.958 -12.378 -5.208 1.00 0.32 H new ATOM 0 HG21 ILE A 30 14.847 -11.091 -3.611 1.00 0.30 H new ATOM 0 HG22 ILE A 30 14.766 -9.314 -3.650 1.00 0.30 H new ATOM 0 HG23 ILE A 30 13.674 -10.232 -2.586 1.00 0.30 H new ATOM 0 HD11 ILE A 30 11.581 -13.141 -3.344 1.00 0.33 H new ATOM 0 HD12 ILE A 30 13.067 -12.368 -2.744 1.00 0.33 H new ATOM 0 HD13 ILE A 30 11.522 -11.487 -2.689 1.00 0.33 H new ATOM 506 N LYS A 31 12.033 -8.315 -2.332 1.00 0.21 N ATOM 507 CA LYS A 31 11.411 -8.070 -1.041 1.00 0.19 C ATOM 508 C LYS A 31 11.633 -6.618 -0.653 1.00 0.17 C ATOM 509 O LYS A 31 10.690 -5.887 -0.345 1.00 0.17 O ATOM 510 CB LYS A 31 12.005 -8.986 0.038 1.00 0.22 C ATOM 511 CG LYS A 31 11.996 -10.458 -0.333 1.00 0.26 C ATOM 512 CD LYS A 31 12.420 -11.338 0.830 1.00 0.35 C ATOM 513 CE LYS A 31 11.373 -11.353 1.928 1.00 0.47 C ATOM 514 NZ LYS A 31 11.776 -12.229 3.060 1.00 1.46 N ATOM 0 H LYS A 31 12.958 -7.897 -2.431 1.00 0.21 H new ATOM 0 HA LYS A 31 10.345 -8.281 -1.119 1.00 0.19 H new ATOM 0 HB2 LYS A 31 13.031 -8.678 0.238 1.00 0.22 H new ATOM 0 HB3 LYS A 31 11.446 -8.851 0.964 1.00 0.22 H new ATOM 0 HG2 LYS A 31 10.996 -10.744 -0.659 1.00 0.26 H new ATOM 0 HG3 LYS A 31 12.666 -10.624 -1.177 1.00 0.26 H new ATOM 0 HD2 LYS A 31 12.591 -12.354 0.475 1.00 0.35 H new ATOM 0 HD3 LYS A 31 13.366 -10.978 1.233 1.00 0.35 H new ATOM 0 HE2 LYS A 31 11.213 -10.338 2.292 1.00 0.47 H new ATOM 0 HE3 LYS A 31 10.423 -11.699 1.520 1.00 0.47 H new ATOM 0 HZ1 LYS A 31 11.036 -12.214 3.791 1.00 1.46 H new ATOM 0 HZ2 LYS A 31 11.904 -13.202 2.717 1.00 1.46 H new ATOM 0 HZ3 LYS A 31 12.670 -11.884 3.465 1.00 1.46 H new ATOM 528 N ASP A 32 12.899 -6.215 -0.724 1.00 0.17 N ATOM 529 CA ASP A 32 13.348 -4.877 -0.354 1.00 0.16 C ATOM 530 C ASP A 32 12.629 -4.313 0.874 1.00 0.17 C ATOM 531 O ASP A 32 12.723 -4.901 1.945 1.00 0.25 O ATOM 532 CB ASP A 32 13.274 -3.952 -1.558 1.00 0.16 C ATOM 533 CG ASP A 32 14.614 -3.892 -2.250 1.00 0.20 C ATOM 534 OD1 ASP A 32 15.452 -3.058 -1.856 1.00 1.05 O ATOM 535 OD2 ASP A 32 14.839 -4.700 -3.165 1.00 1.18 O ATOM 0 H ASP A 32 13.654 -6.820 -1.046 1.00 0.17 H new ATOM 0 HA ASP A 32 14.391 -4.953 -0.047 1.00 0.16 H new ATOM 0 HB2 ASP A 32 12.513 -4.307 -2.253 1.00 0.16 H new ATOM 0 HB3 ASP A 32 12.975 -2.953 -1.241 1.00 0.16 H new ATOM 540 N SER A 33 11.931 -3.180 0.740 1.00 0.13 N ATOM 541 CA SER A 33 11.263 -2.549 1.892 1.00 0.13 C ATOM 542 C SER A 33 10.215 -1.533 1.444 1.00 0.14 C ATOM 543 O SER A 33 10.476 -0.726 0.553 1.00 0.18 O ATOM 544 CB SER A 33 12.274 -1.819 2.788 1.00 0.17 C ATOM 545 OG SER A 33 13.350 -2.655 3.169 1.00 0.21 O ATOM 0 H SER A 33 11.812 -2.683 -0.143 1.00 0.13 H new ATOM 0 HA SER A 33 10.782 -3.354 2.448 1.00 0.13 H new ATOM 0 HB2 SER A 33 12.662 -0.948 2.260 1.00 0.17 H new ATOM 0 HB3 SER A 33 11.767 -1.452 3.681 1.00 0.17 H new ATOM 0 HG SER A 33 13.071 -3.593 3.115 1.00 0.21 H new ATOM 551 N ILE A 34 9.036 -1.567 2.069 1.00 0.13 N ATOM 552 CA ILE A 34 7.999 -0.570 1.811 1.00 0.15 C ATOM 553 C ILE A 34 7.279 -0.216 3.114 1.00 0.13 C ATOM 554 O ILE A 34 6.498 -1.010 3.627 1.00 0.14 O ATOM 555 CB ILE A 34 6.936 -1.044 0.787 1.00 0.20 C ATOM 556 CG1 ILE A 34 7.557 -1.759 -0.417 1.00 0.19 C ATOM 557 CG2 ILE A 34 6.133 0.147 0.304 1.00 0.28 C ATOM 558 CD1 ILE A 34 7.808 -3.235 -0.190 1.00 0.19 C ATOM 0 H ILE A 34 8.777 -2.274 2.757 1.00 0.13 H new ATOM 0 HA ILE A 34 8.510 0.296 1.390 1.00 0.15 H new ATOM 0 HB ILE A 34 6.292 -1.761 1.297 1.00 0.20 H new ATOM 0 HG12 ILE A 34 6.898 -1.640 -1.277 1.00 0.19 H new ATOM 0 HG13 ILE A 34 8.500 -1.274 -0.668 1.00 0.19 H new ATOM 0 HG21 ILE A 34 5.386 -0.186 -0.416 1.00 0.28 H new ATOM 0 HG22 ILE A 34 5.636 0.618 1.152 1.00 0.28 H new ATOM 0 HG23 ILE A 34 6.800 0.867 -0.172 1.00 0.28 H new ATOM 0 HD11 ILE A 34 8.248 -3.671 -1.087 1.00 0.19 H new ATOM 0 HD12 ILE A 34 8.492 -3.363 0.649 1.00 0.19 H new ATOM 0 HD13 ILE A 34 6.865 -3.735 0.031 1.00 0.19 H new ATOM 570 N GLU A 35 7.560 0.961 3.651 1.00 0.14 N ATOM 571 CA GLU A 35 6.948 1.415 4.898 1.00 0.13 C ATOM 572 C GLU A 35 5.801 2.366 4.580 1.00 0.15 C ATOM 573 O GLU A 35 5.929 3.214 3.696 1.00 0.20 O ATOM 574 CB GLU A 35 7.998 2.119 5.766 1.00 0.16 C ATOM 575 CG GLU A 35 7.545 2.375 7.197 1.00 0.28 C ATOM 576 CD GLU A 35 8.522 3.231 7.979 1.00 0.45 C ATOM 577 OE1 GLU A 35 9.571 3.604 7.413 1.00 1.08 O ATOM 578 OE2 GLU A 35 8.222 3.563 9.156 1.00 1.31 O ATOM 0 H GLU A 35 8.214 1.628 3.241 1.00 0.14 H new ATOM 0 HA GLU A 35 6.559 0.558 5.448 1.00 0.13 H new ATOM 0 HB2 GLU A 35 8.904 1.514 5.785 1.00 0.16 H new ATOM 0 HB3 GLU A 35 8.260 3.070 5.303 1.00 0.16 H new ATOM 0 HG2 GLU A 35 6.571 2.864 7.183 1.00 0.28 H new ATOM 0 HG3 GLU A 35 7.415 1.421 7.708 1.00 0.28 H new ATOM 585 N PHE A 36 4.681 2.235 5.288 1.00 0.16 N ATOM 586 CA PHE A 36 3.500 3.031 4.955 1.00 0.17 C ATOM 587 C PHE A 36 3.053 3.983 6.067 1.00 0.18 C ATOM 588 O PHE A 36 3.284 3.768 7.260 1.00 0.19 O ATOM 589 CB PHE A 36 2.317 2.156 4.512 1.00 0.20 C ATOM 590 CG PHE A 36 2.455 0.691 4.797 1.00 0.17 C ATOM 591 CD1 PHE A 36 3.284 -0.104 4.024 1.00 1.25 C ATOM 592 CD2 PHE A 36 1.735 0.107 5.820 1.00 1.16 C ATOM 593 CE1 PHE A 36 3.397 -1.453 4.272 1.00 1.33 C ATOM 594 CE2 PHE A 36 1.841 -1.245 6.068 1.00 1.13 C ATOM 595 CZ PHE A 36 2.672 -2.023 5.295 1.00 0.41 C ATOM 0 H PHE A 36 4.566 1.601 6.078 1.00 0.16 H new ATOM 0 HA PHE A 36 3.820 3.650 4.117 1.00 0.17 H new ATOM 0 HB2 PHE A 36 1.415 2.520 5.003 1.00 0.20 H new ATOM 0 HB3 PHE A 36 2.172 2.288 3.440 1.00 0.20 H new ATOM 0 HD1 PHE A 36 3.848 0.340 3.217 1.00 1.25 H new ATOM 0 HD2 PHE A 36 1.083 0.714 6.431 1.00 1.16 H new ATOM 0 HE1 PHE A 36 4.052 -2.062 3.667 1.00 1.33 H new ATOM 0 HE2 PHE A 36 1.272 -1.693 6.869 1.00 1.13 H new ATOM 0 HZ PHE A 36 2.756 -3.082 5.491 1.00 0.41 H new ATOM 605 N PHE A 37 2.409 5.048 5.609 1.00 0.21 N ATOM 606 CA PHE A 37 1.879 6.134 6.423 1.00 0.25 C ATOM 607 C PHE A 37 0.374 6.095 6.292 1.00 0.32 C ATOM 608 O PHE A 37 -0.141 5.535 5.333 1.00 0.65 O ATOM 609 CB PHE A 37 2.422 7.453 5.847 1.00 0.36 C ATOM 610 CG PHE A 37 2.286 8.685 6.702 1.00 0.76 C ATOM 611 CD1 PHE A 37 1.130 9.450 6.673 1.00 1.71 C ATOM 612 CD2 PHE A 37 3.342 9.107 7.495 1.00 1.41 C ATOM 613 CE1 PHE A 37 1.028 10.607 7.419 1.00 2.22 C ATOM 614 CE2 PHE A 37 3.242 10.261 8.250 1.00 1.87 C ATOM 615 CZ PHE A 37 2.085 11.014 8.210 1.00 2.02 C ATOM 0 H PHE A 37 2.234 5.185 4.614 1.00 0.21 H new ATOM 0 HA PHE A 37 2.166 6.045 7.471 1.00 0.25 H new ATOM 0 HB2 PHE A 37 3.479 7.313 5.622 1.00 0.36 H new ATOM 0 HB3 PHE A 37 1.916 7.642 4.900 1.00 0.36 H new ATOM 0 HD1 PHE A 37 0.299 9.137 6.059 1.00 1.71 H new ATOM 0 HD2 PHE A 37 4.253 8.528 7.523 1.00 1.41 H new ATOM 0 HE1 PHE A 37 0.122 11.194 7.384 1.00 2.22 H new ATOM 0 HE2 PHE A 37 4.069 10.573 8.871 1.00 1.87 H new ATOM 0 HZ PHE A 37 2.007 11.918 8.795 1.00 2.02 H new ATOM 625 N VAL A 38 -0.327 6.655 7.240 1.00 0.20 N ATOM 626 CA VAL A 38 -1.763 6.783 7.103 1.00 0.18 C ATOM 627 C VAL A 38 -2.181 8.222 7.337 1.00 0.18 C ATOM 628 O VAL A 38 -1.773 8.853 8.314 1.00 0.23 O ATOM 629 CB VAL A 38 -2.544 5.821 8.027 1.00 0.21 C ATOM 630 CG1 VAL A 38 -2.129 5.975 9.484 1.00 0.27 C ATOM 631 CG2 VAL A 38 -4.040 6.043 7.870 1.00 0.23 C ATOM 0 H VAL A 38 0.061 7.027 8.107 1.00 0.20 H new ATOM 0 HA VAL A 38 -2.017 6.496 6.083 1.00 0.18 H new ATOM 0 HB VAL A 38 -2.302 4.801 7.727 1.00 0.21 H new ATOM 0 HG11 VAL A 38 -2.701 5.282 10.100 1.00 0.27 H new ATOM 0 HG12 VAL A 38 -1.066 5.758 9.584 1.00 0.27 H new ATOM 0 HG13 VAL A 38 -2.323 6.996 9.812 1.00 0.27 H new ATOM 0 HG21 VAL A 38 -4.580 5.360 8.526 1.00 0.23 H new ATOM 0 HG22 VAL A 38 -4.285 7.071 8.136 1.00 0.23 H new ATOM 0 HG23 VAL A 38 -4.329 5.857 6.835 1.00 0.23 H new ATOM 641 N ASP A 39 -2.977 8.735 6.425 1.00 0.17 N ATOM 642 CA ASP A 39 -3.358 10.138 6.442 1.00 0.21 C ATOM 643 C ASP A 39 -4.861 10.262 6.297 1.00 0.23 C ATOM 644 O ASP A 39 -5.395 10.185 5.186 1.00 0.25 O ATOM 645 CB ASP A 39 -2.649 10.897 5.318 1.00 0.25 C ATOM 646 CG ASP A 39 -2.946 12.382 5.333 1.00 0.30 C ATOM 647 OD1 ASP A 39 -2.211 13.136 6.012 1.00 1.16 O ATOM 648 OD2 ASP A 39 -3.899 12.812 4.650 1.00 1.13 O ATOM 0 H ASP A 39 -3.378 8.200 5.655 1.00 0.17 H new ATOM 0 HA ASP A 39 -3.057 10.576 7.394 1.00 0.21 H new ATOM 0 HB2 ASP A 39 -1.573 10.746 5.406 1.00 0.25 H new ATOM 0 HB3 ASP A 39 -2.952 10.480 4.357 1.00 0.25 H new ATOM 653 N GLY A 40 -5.536 10.413 7.430 1.00 0.26 N ATOM 654 CA GLY A 40 -6.983 10.477 7.444 1.00 0.31 C ATOM 655 C GLY A 40 -7.610 9.146 7.094 1.00 0.27 C ATOM 656 O GLY A 40 -8.055 8.407 7.971 1.00 0.32 O ATOM 0 H GLY A 40 -5.100 10.493 8.349 1.00 0.26 H new ATOM 0 HA2 GLY A 40 -7.323 10.790 8.431 1.00 0.31 H new ATOM 0 HA3 GLY A 40 -7.320 11.234 6.736 1.00 0.31 H new ATOM 660 N ASP A 41 -7.637 8.843 5.808 1.00 0.25 N ATOM 661 CA ASP A 41 -8.178 7.584 5.317 1.00 0.25 C ATOM 662 C ASP A 41 -7.109 6.839 4.541 1.00 0.22 C ATOM 663 O ASP A 41 -7.062 5.614 4.531 1.00 0.30 O ATOM 664 CB ASP A 41 -9.359 7.824 4.367 1.00 0.36 C ATOM 665 CG ASP A 41 -10.309 8.903 4.834 1.00 1.20 C ATOM 666 OD1 ASP A 41 -11.275 8.581 5.553 1.00 1.84 O ATOM 667 OD2 ASP A 41 -10.102 10.083 4.461 1.00 2.00 O ATOM 0 H ASP A 41 -7.286 9.460 5.075 1.00 0.25 H new ATOM 0 HA ASP A 41 -8.512 7.008 6.180 1.00 0.25 H new ATOM 0 HB2 ASP A 41 -8.973 8.093 3.384 1.00 0.36 H new ATOM 0 HB3 ASP A 41 -9.912 6.893 4.248 1.00 0.36 H new ATOM 672 N LYS A 42 -6.223 7.603 3.922 1.00 0.21 N ATOM 673 CA LYS A 42 -5.373 7.083 2.874 1.00 0.24 C ATOM 674 C LYS A 42 -4.094 6.501 3.448 1.00 0.17 C ATOM 675 O LYS A 42 -3.740 6.756 4.599 1.00 0.17 O ATOM 676 CB LYS A 42 -5.054 8.195 1.867 1.00 0.36 C ATOM 677 CG LYS A 42 -3.604 8.645 1.895 1.00 0.31 C ATOM 678 CD LYS A 42 -3.359 9.893 1.064 1.00 0.31 C ATOM 679 CE LYS A 42 -3.867 11.156 1.753 1.00 0.73 C ATOM 680 NZ LYS A 42 -5.350 11.252 1.762 1.00 1.05 N ATOM 0 H LYS A 42 -6.077 8.590 4.132 1.00 0.21 H new ATOM 0 HA LYS A 42 -5.903 6.280 2.363 1.00 0.24 H new ATOM 0 HB2 LYS A 42 -5.298 7.846 0.864 1.00 0.36 H new ATOM 0 HB3 LYS A 42 -5.695 9.052 2.070 1.00 0.36 H new ATOM 0 HG2 LYS A 42 -3.308 8.837 2.926 1.00 0.31 H new ATOM 0 HG3 LYS A 42 -2.971 7.838 1.526 1.00 0.31 H new ATOM 0 HD2 LYS A 42 -2.291 9.993 0.868 1.00 0.31 H new ATOM 0 HD3 LYS A 42 -3.851 9.786 0.098 1.00 0.31 H new ATOM 0 HE2 LYS A 42 -3.500 11.177 2.779 1.00 0.73 H new ATOM 0 HE3 LYS A 42 -3.454 12.030 1.249 1.00 0.73 H new ATOM 0 HZ1 LYS A 42 -5.633 12.252 1.733 1.00 1.05 H new ATOM 0 HZ2 LYS A 42 -5.735 10.759 0.931 1.00 1.05 H new ATOM 0 HZ3 LYS A 42 -5.721 10.812 2.628 1.00 1.05 H new ATOM 694 N ILE A 43 -3.395 5.748 2.623 1.00 0.16 N ATOM 695 CA ILE A 43 -2.153 5.124 3.025 1.00 0.14 C ATOM 696 C ILE A 43 -1.033 5.602 2.102 1.00 0.15 C ATOM 697 O ILE A 43 -1.251 5.796 0.905 1.00 0.17 O ATOM 698 CB ILE A 43 -2.258 3.583 2.972 1.00 0.15 C ATOM 699 CG1 ILE A 43 -3.400 3.078 3.865 1.00 0.14 C ATOM 700 CG2 ILE A 43 -0.942 2.945 3.392 1.00 0.18 C ATOM 701 CD1 ILE A 43 -3.093 3.114 5.352 1.00 0.15 C ATOM 0 H ILE A 43 -3.671 5.553 1.661 1.00 0.16 H new ATOM 0 HA ILE A 43 -1.936 5.408 4.055 1.00 0.14 H new ATOM 0 HB ILE A 43 -2.476 3.296 1.943 1.00 0.15 H new ATOM 0 HG12 ILE A 43 -4.288 3.681 3.675 1.00 0.14 H new ATOM 0 HG13 ILE A 43 -3.642 2.054 3.581 1.00 0.14 H new ATOM 0 HG21 ILE A 43 -1.034 1.860 3.349 1.00 0.18 H new ATOM 0 HG22 ILE A 43 -0.149 3.269 2.718 1.00 0.18 H new ATOM 0 HG23 ILE A 43 -0.699 3.248 4.410 1.00 0.18 H new ATOM 0 HD11 ILE A 43 -3.952 2.741 5.910 1.00 0.15 H new ATOM 0 HD12 ILE A 43 -2.225 2.488 5.560 1.00 0.15 H new ATOM 0 HD13 ILE A 43 -2.881 4.139 5.655 1.00 0.15 H new ATOM 713 N ILE A 44 0.151 5.799 2.662 1.00 0.14 N ATOM 714 CA ILE A 44 1.265 6.404 1.935 1.00 0.16 C ATOM 715 C ILE A 44 2.522 5.541 2.049 1.00 0.16 C ATOM 716 O ILE A 44 3.137 5.475 3.110 1.00 0.22 O ATOM 717 CB ILE A 44 1.561 7.811 2.494 1.00 0.20 C ATOM 718 CG1 ILE A 44 0.275 8.646 2.523 1.00 0.28 C ATOM 719 CG2 ILE A 44 2.633 8.500 1.664 1.00 0.22 C ATOM 720 CD1 ILE A 44 0.389 9.928 3.319 1.00 0.27 C ATOM 0 H ILE A 44 0.369 5.547 3.626 1.00 0.14 H new ATOM 0 HA ILE A 44 0.982 6.479 0.885 1.00 0.16 H new ATOM 0 HB ILE A 44 1.934 7.713 3.513 1.00 0.20 H new ATOM 0 HG12 ILE A 44 -0.010 8.890 1.500 1.00 0.28 H new ATOM 0 HG13 ILE A 44 -0.529 8.041 2.942 1.00 0.28 H new ATOM 0 HG21 ILE A 44 2.829 9.491 2.073 1.00 0.22 H new ATOM 0 HG22 ILE A 44 3.549 7.909 1.690 1.00 0.22 H new ATOM 0 HG23 ILE A 44 2.291 8.594 0.633 1.00 0.22 H new ATOM 0 HD11 ILE A 44 -0.562 10.460 3.290 1.00 0.27 H new ATOM 0 HD12 ILE A 44 0.642 9.693 4.353 1.00 0.27 H new ATOM 0 HD13 ILE A 44 1.169 10.556 2.888 1.00 0.27 H new ATOM 732 N LEU A 45 2.904 4.890 0.962 1.00 0.15 N ATOM 733 CA LEU A 45 4.021 3.944 0.987 1.00 0.17 C ATOM 734 C LEU A 45 5.314 4.559 0.453 1.00 0.20 C ATOM 735 O LEU A 45 5.297 5.333 -0.508 1.00 0.26 O ATOM 736 CB LEU A 45 3.683 2.687 0.179 1.00 0.21 C ATOM 737 CG LEU A 45 2.789 1.659 0.884 1.00 0.21 C ATOM 738 CD1 LEU A 45 1.375 2.179 1.060 1.00 0.18 C ATOM 739 CD2 LEU A 45 2.776 0.354 0.114 1.00 0.32 C ATOM 0 H LEU A 45 2.461 4.995 0.049 1.00 0.15 H new ATOM 0 HA LEU A 45 4.182 3.677 2.032 1.00 0.17 H new ATOM 0 HB2 LEU A 45 3.193 2.993 -0.745 1.00 0.21 H new ATOM 0 HB3 LEU A 45 4.615 2.197 -0.102 1.00 0.21 H new ATOM 0 HG LEU A 45 3.206 1.482 1.876 1.00 0.21 H new ATOM 0 HD11 LEU A 45 0.770 1.425 1.563 1.00 0.18 H new ATOM 0 HD12 LEU A 45 1.394 3.088 1.661 1.00 0.18 H new ATOM 0 HD13 LEU A 45 0.944 2.398 0.083 1.00 0.18 H new ATOM 0 HD21 LEU A 45 2.137 -0.365 0.627 1.00 0.32 H new ATOM 0 HD22 LEU A 45 2.392 0.528 -0.891 1.00 0.32 H new ATOM 0 HD23 LEU A 45 3.790 -0.041 0.051 1.00 0.32 H new ATOM 751 N LYS A 46 6.429 4.201 1.097 1.00 0.19 N ATOM 752 CA LYS A 46 7.762 4.625 0.668 1.00 0.30 C ATOM 753 C LYS A 46 8.814 3.598 1.082 1.00 0.22 C ATOM 754 O LYS A 46 8.603 2.820 2.011 1.00 0.30 O ATOM 755 CB LYS A 46 8.104 6.016 1.237 1.00 0.52 C ATOM 756 CG LYS A 46 8.011 6.148 2.758 1.00 0.86 C ATOM 757 CD LYS A 46 9.240 5.596 3.478 1.00 1.04 C ATOM 758 CE LYS A 46 9.250 5.996 4.946 1.00 1.30 C ATOM 759 NZ LYS A 46 10.397 5.422 5.700 1.00 2.16 N ATOM 0 H LYS A 46 6.431 3.610 1.929 1.00 0.19 H new ATOM 0 HA LYS A 46 7.762 4.695 -0.420 1.00 0.30 H new ATOM 0 HB2 LYS A 46 9.117 6.276 0.929 1.00 0.52 H new ATOM 0 HB3 LYS A 46 7.435 6.748 0.785 1.00 0.52 H new ATOM 0 HG2 LYS A 46 7.884 7.199 3.020 1.00 0.86 H new ATOM 0 HG3 LYS A 46 7.123 5.622 3.110 1.00 0.86 H new ATOM 0 HD2 LYS A 46 9.254 4.509 3.395 1.00 1.04 H new ATOM 0 HD3 LYS A 46 10.144 5.964 2.993 1.00 1.04 H new ATOM 0 HE2 LYS A 46 9.282 7.083 5.020 1.00 1.30 H new ATOM 0 HE3 LYS A 46 8.319 5.672 5.411 1.00 1.30 H new ATOM 0 HZ1 LYS A 46 10.715 6.103 6.419 1.00 2.16 H new ATOM 0 HZ2 LYS A 46 10.100 4.540 6.165 1.00 2.16 H new ATOM 0 HZ3 LYS A 46 11.178 5.221 5.044 1.00 2.16 H new ATOM 773 N LYS A 47 9.941 3.595 0.384 1.00 0.27 N ATOM 774 CA LYS A 47 11.043 2.686 0.702 1.00 0.28 C ATOM 775 C LYS A 47 11.736 3.159 1.981 1.00 0.25 C ATOM 776 O LYS A 47 11.771 4.352 2.270 1.00 0.32 O ATOM 777 CB LYS A 47 12.036 2.628 -0.471 1.00 0.37 C ATOM 778 CG LYS A 47 12.636 1.244 -0.731 1.00 0.41 C ATOM 779 CD LYS A 47 13.666 0.848 0.316 1.00 0.36 C ATOM 780 CE LYS A 47 14.254 -0.531 0.044 1.00 0.52 C ATOM 781 NZ LYS A 47 15.092 -0.566 -1.185 1.00 0.39 N ATOM 0 H LYS A 47 10.120 4.212 -0.408 1.00 0.27 H new ATOM 0 HA LYS A 47 10.654 1.681 0.864 1.00 0.28 H new ATOM 0 HB2 LYS A 47 11.530 2.966 -1.375 1.00 0.37 H new ATOM 0 HB3 LYS A 47 12.847 3.331 -0.278 1.00 0.37 H new ATOM 0 HG2 LYS A 47 11.837 0.503 -0.748 1.00 0.41 H new ATOM 0 HG3 LYS A 47 13.102 1.233 -1.716 1.00 0.41 H new ATOM 0 HD2 LYS A 47 14.467 1.587 0.334 1.00 0.36 H new ATOM 0 HD3 LYS A 47 13.202 0.856 1.302 1.00 0.36 H new ATOM 0 HE2 LYS A 47 14.856 -0.839 0.898 1.00 0.52 H new ATOM 0 HE3 LYS A 47 13.444 -1.254 -0.053 1.00 0.52 H new ATOM 0 HZ1 LYS A 47 15.575 -1.485 -1.250 1.00 0.39 H new ATOM 0 HZ2 LYS A 47 14.488 -0.432 -2.021 1.00 0.39 H new ATOM 0 HZ3 LYS A 47 15.800 0.195 -1.144 1.00 0.39 H new ATOM 795 N TYR A 48 12.278 2.226 2.746 1.00 0.22 N ATOM 796 CA TYR A 48 12.843 2.543 4.051 1.00 0.22 C ATOM 797 C TYR A 48 14.190 3.254 3.927 1.00 0.27 C ATOM 798 O TYR A 48 14.362 4.377 4.403 1.00 0.32 O ATOM 799 CB TYR A 48 13.015 1.247 4.852 1.00 0.23 C ATOM 800 CG TYR A 48 13.504 1.448 6.271 1.00 0.30 C ATOM 801 CD1 TYR A 48 12.611 1.714 7.301 1.00 1.15 C ATOM 802 CD2 TYR A 48 14.857 1.363 6.579 1.00 1.16 C ATOM 803 CE1 TYR A 48 13.051 1.891 8.598 1.00 1.17 C ATOM 804 CE2 TYR A 48 15.304 1.537 7.873 1.00 1.25 C ATOM 805 CZ TYR A 48 14.399 1.802 8.879 1.00 0.58 C ATOM 806 OH TYR A 48 14.843 1.973 10.171 1.00 0.74 O ATOM 0 H TYR A 48 12.340 1.241 2.487 1.00 0.22 H new ATOM 0 HA TYR A 48 12.158 3.218 4.564 1.00 0.22 H new ATOM 0 HB2 TYR A 48 12.060 0.723 4.881 1.00 0.23 H new ATOM 0 HB3 TYR A 48 13.718 0.600 4.327 1.00 0.23 H new ATOM 0 HD1 TYR A 48 11.555 1.784 7.084 1.00 1.15 H new ATOM 0 HD2 TYR A 48 15.569 1.158 5.794 1.00 1.16 H new ATOM 0 HE1 TYR A 48 12.344 2.098 9.388 1.00 1.17 H new ATOM 0 HE2 TYR A 48 16.358 1.466 8.097 1.00 1.25 H new ATOM 0 HH TYR A 48 15.818 1.878 10.197 1.00 0.74 H new ATOM 816 N LYS A 49 15.121 2.586 3.259 1.00 0.33 N ATOM 817 CA LYS A 49 16.531 2.974 3.255 1.00 0.49 C ATOM 818 C LYS A 49 16.808 4.350 2.614 1.00 0.57 C ATOM 819 O LYS A 49 17.398 5.208 3.273 1.00 0.64 O ATOM 820 CB LYS A 49 17.352 1.887 2.557 1.00 0.63 C ATOM 821 CG LYS A 49 18.830 1.906 2.919 1.00 0.91 C ATOM 822 CD LYS A 49 19.028 1.713 4.413 1.00 2.03 C ATOM 823 CE LYS A 49 20.498 1.583 4.776 1.00 2.39 C ATOM 824 NZ LYS A 49 20.687 1.377 6.236 1.00 2.86 N ATOM 0 H LYS A 49 14.922 1.756 2.701 1.00 0.33 H new ATOM 0 HA LYS A 49 16.829 3.075 4.299 1.00 0.49 H new ATOM 0 HB2 LYS A 49 16.938 0.912 2.812 1.00 0.63 H new ATOM 0 HB3 LYS A 49 17.250 2.004 1.478 1.00 0.63 H new ATOM 0 HG2 LYS A 49 19.351 1.118 2.375 1.00 0.91 H new ATOM 0 HG3 LYS A 49 19.272 2.853 2.610 1.00 0.91 H new ATOM 0 HD2 LYS A 49 18.595 2.557 4.949 1.00 2.03 H new ATOM 0 HD3 LYS A 49 18.493 0.821 4.738 1.00 2.03 H new ATOM 0 HE2 LYS A 49 20.935 0.746 4.231 1.00 2.39 H new ATOM 0 HE3 LYS A 49 21.031 2.481 4.463 1.00 2.39 H new ATOM 0 HZ1 LYS A 49 21.702 1.293 6.446 1.00 2.86 H new ATOM 0 HZ2 LYS A 49 20.292 2.187 6.755 1.00 2.86 H new ATOM 0 HZ3 LYS A 49 20.199 0.507 6.530 1.00 2.86 H new ATOM 838 N PRO A 50 16.410 4.582 1.336 1.00 0.64 N ATOM 839 CA PRO A 50 16.786 5.800 0.588 1.00 0.86 C ATOM 840 C PRO A 50 16.601 7.102 1.372 1.00 0.91 C ATOM 841 O PRO A 50 17.569 7.808 1.647 1.00 1.81 O ATOM 842 CB PRO A 50 15.854 5.771 -0.620 1.00 1.03 C ATOM 843 CG PRO A 50 15.604 4.326 -0.853 1.00 0.79 C ATOM 844 CD PRO A 50 15.576 3.686 0.508 1.00 0.59 C ATOM 0 HA PRO A 50 17.848 5.792 0.344 1.00 0.86 H new ATOM 0 HB2 PRO A 50 14.927 6.308 -0.421 1.00 1.03 H new ATOM 0 HB3 PRO A 50 16.314 6.241 -1.489 1.00 1.03 H new ATOM 0 HG2 PRO A 50 14.660 4.173 -1.376 1.00 0.79 H new ATOM 0 HG3 PRO A 50 16.387 3.890 -1.474 1.00 0.79 H new ATOM 0 HD2 PRO A 50 14.560 3.614 0.895 1.00 0.59 H new ATOM 0 HD3 PRO A 50 15.980 2.674 0.483 1.00 0.59 H new ATOM 852 N HIS A 51 15.365 7.423 1.730 1.00 0.98 N ATOM 853 CA HIS A 51 15.088 8.674 2.427 1.00 1.17 C ATOM 854 C HIS A 51 15.425 8.585 3.912 1.00 1.76 C ATOM 855 O HIS A 51 16.051 9.492 4.463 1.00 2.56 O ATOM 856 CB HIS A 51 13.629 9.102 2.242 1.00 2.12 C ATOM 857 CG HIS A 51 13.342 9.705 0.900 1.00 2.93 C ATOM 858 ND1 HIS A 51 12.960 11.018 0.732 1.00 3.83 N ATOM 859 CD2 HIS A 51 13.376 9.166 -0.340 1.00 3.56 C ATOM 860 CE1 HIS A 51 12.770 11.257 -0.551 1.00 4.69 C ATOM 861 NE2 HIS A 51 13.015 10.149 -1.224 1.00 4.56 N ATOM 0 H HIS A 51 14.545 6.842 1.552 1.00 0.98 H new ATOM 0 HA HIS A 51 15.733 9.431 1.981 1.00 1.17 H new ATOM 0 HB2 HIS A 51 12.984 8.235 2.386 1.00 2.12 H new ATOM 0 HB3 HIS A 51 13.370 9.823 3.017 1.00 2.12 H new ATOM 0 HD2 HIS A 51 13.639 8.148 -0.588 1.00 3.56 H new ATOM 0 HE1 HIS A 51 12.465 12.201 -0.979 1.00 4.69 H new ATOM 0 HE2 HIS A 51 12.947 10.042 -2.236 1.00 4.56 H new ATOM 870 N GLY A 52 15.025 7.489 4.549 1.00 2.14 N ATOM 871 CA GLY A 52 15.212 7.348 5.985 1.00 3.14 C ATOM 872 C GLY A 52 14.564 8.475 6.755 1.00 2.89 C ATOM 873 O GLY A 52 15.232 9.238 7.454 1.00 3.06 O ATOM 0 H GLY A 52 14.574 6.694 4.097 1.00 2.14 H new ATOM 0 HA2 GLY A 52 14.793 6.397 6.313 1.00 3.14 H new ATOM 0 HA3 GLY A 52 16.278 7.321 6.211 1.00 3.14 H new ATOM 877 N VAL A 53 13.258 8.562 6.627 1.00 2.85 N ATOM 878 CA VAL A 53 12.482 9.638 7.229 1.00 2.75 C ATOM 879 C VAL A 53 11.055 9.164 7.482 1.00 2.07 C ATOM 880 O VAL A 53 10.578 8.237 6.815 1.00 1.96 O ATOM 881 CB VAL A 53 12.478 10.898 6.325 1.00 3.40 C ATOM 882 CG1 VAL A 53 11.764 10.625 5.010 1.00 3.54 C ATOM 883 CG2 VAL A 53 11.851 12.087 7.041 1.00 3.58 C ATOM 0 H VAL A 53 12.698 7.890 6.103 1.00 2.85 H new ATOM 0 HA VAL A 53 12.946 9.909 8.178 1.00 2.75 H new ATOM 0 HB VAL A 53 13.515 11.148 6.102 1.00 3.40 H new ATOM 0 HG11 VAL A 53 11.776 11.525 4.396 1.00 3.54 H new ATOM 0 HG12 VAL A 53 12.271 9.818 4.481 1.00 3.54 H new ATOM 0 HG13 VAL A 53 10.732 10.336 5.209 1.00 3.54 H new ATOM 0 HG21 VAL A 53 11.862 12.956 6.383 1.00 3.58 H new ATOM 0 HG22 VAL A 53 10.822 11.849 7.310 1.00 3.58 H new ATOM 0 HG23 VAL A 53 12.420 12.309 7.944 1.00 3.58 H new ATOM 893 N CYS A 54 10.404 9.773 8.463 1.00 1.91 N ATOM 894 CA CYS A 54 9.029 9.442 8.810 1.00 1.51 C ATOM 895 C CYS A 54 8.104 9.689 7.628 1.00 2.04 C ATOM 896 O CYS A 54 7.635 8.703 7.031 1.00 2.71 O ATOM 897 CB CYS A 54 8.574 10.265 10.017 1.00 1.90 C ATOM 898 SG CYS A 54 9.674 10.133 11.448 1.00 2.87 S ATOM 899 OXT CYS A 54 7.885 10.864 7.272 1.00 2.46 O ATOM 0 H CYS A 54 10.813 10.509 9.039 1.00 1.91 H new ATOM 0 HA CYS A 54 8.985 8.384 9.068 1.00 1.51 H new ATOM 0 HB2 CYS A 54 8.499 11.312 9.724 1.00 1.90 H new ATOM 0 HB3 CYS A 54 7.574 9.943 10.308 1.00 1.90 H new ATOM 0 HG CYS A 54 9.327 9.108 12.169 1.00 2.87 H new TER 905 CYS A 54 ATOM 906 N MET B 1 8.739 4.305 11.688 1.00 2.43 N ATOM 907 CA MET B 1 8.963 5.767 11.804 1.00 1.54 C ATOM 908 C MET B 1 7.772 6.554 11.253 1.00 1.28 C ATOM 909 O MET B 1 7.555 7.701 11.635 1.00 1.95 O ATOM 910 CB MET B 1 10.258 6.179 11.089 1.00 1.98 C ATOM 911 CG MET B 1 10.306 5.794 9.622 1.00 2.66 C ATOM 912 SD MET B 1 11.881 6.207 8.838 1.00 3.87 S ATOM 913 CE MET B 1 13.029 5.291 9.862 1.00 4.74 C ATOM 0 H1 MET B 1 9.562 3.796 12.069 1.00 2.43 H new ATOM 0 H2 MET B 1 7.889 4.040 12.226 1.00 2.43 H new ATOM 0 H3 MET B 1 8.609 4.052 10.688 1.00 2.43 H new ATOM 0 HA MET B 1 9.064 6.005 12.863 1.00 1.54 H new ATOM 0 HB2 MET B 1 10.379 7.259 11.174 1.00 1.98 H new ATOM 0 HB3 MET B 1 11.104 5.722 11.601 1.00 1.98 H new ATOM 0 HG2 MET B 1 10.128 4.723 9.527 1.00 2.66 H new ATOM 0 HG3 MET B 1 9.499 6.299 9.092 1.00 2.66 H new ATOM 0 HE1 MET B 1 13.938 5.088 9.297 1.00 4.74 H new ATOM 0 HE2 MET B 1 13.275 5.878 10.747 1.00 4.74 H new ATOM 0 HE3 MET B 1 12.573 4.349 10.167 1.00 4.74 H new ATOM 925 N LYS B 2 6.996 5.933 10.365 1.00 0.96 N ATOM 926 CA LYS B 2 5.810 6.577 9.798 1.00 0.62 C ATOM 927 C LYS B 2 4.639 6.531 10.776 1.00 0.56 C ATOM 928 O LYS B 2 4.801 6.115 11.922 1.00 0.73 O ATOM 929 CB LYS B 2 5.427 5.892 8.495 1.00 0.60 C ATOM 930 CG LYS B 2 6.587 5.816 7.532 1.00 0.66 C ATOM 931 CD LYS B 2 6.149 5.406 6.143 1.00 0.87 C ATOM 932 CE LYS B 2 5.408 6.508 5.402 1.00 1.74 C ATOM 933 NZ LYS B 2 6.247 7.707 5.147 1.00 2.31 N ATOM 0 H LYS B 2 7.166 4.987 10.023 1.00 0.96 H new ATOM 0 HA LYS B 2 6.047 7.623 9.603 1.00 0.62 H new ATOM 0 HB2 LYS B 2 5.066 4.886 8.707 1.00 0.60 H new ATOM 0 HB3 LYS B 2 4.604 6.434 8.029 1.00 0.60 H new ATOM 0 HG2 LYS B 2 7.082 6.786 7.484 1.00 0.66 H new ATOM 0 HG3 LYS B 2 7.321 5.102 7.905 1.00 0.66 H new ATOM 0 HD2 LYS B 2 7.025 5.112 5.564 1.00 0.87 H new ATOM 0 HD3 LYS B 2 5.506 4.529 6.215 1.00 0.87 H new ATOM 0 HE2 LYS B 2 5.045 6.117 4.451 1.00 1.74 H new ATOM 0 HE3 LYS B 2 4.532 6.801 5.981 1.00 1.74 H new ATOM 0 HZ1 LYS B 2 5.795 8.299 4.421 1.00 2.31 H new ATOM 0 HZ2 LYS B 2 6.348 8.253 6.026 1.00 2.31 H new ATOM 0 HZ3 LYS B 2 7.186 7.409 4.815 1.00 2.31 H new ATOM 947 N SER B 3 3.466 6.962 10.316 1.00 0.42 N ATOM 948 CA SER B 3 2.241 6.876 11.107 1.00 0.40 C ATOM 949 C SER B 3 2.008 5.453 11.589 1.00 0.37 C ATOM 950 O SER B 3 1.853 5.202 12.783 1.00 0.50 O ATOM 951 CB SER B 3 1.054 7.322 10.264 1.00 0.39 C ATOM 952 OG SER B 3 1.201 8.662 9.864 1.00 1.00 O ATOM 0 H SER B 3 3.338 7.377 9.393 1.00 0.42 H new ATOM 0 HA SER B 3 2.346 7.527 11.975 1.00 0.40 H new ATOM 0 HB2 SER B 3 0.966 6.683 9.385 1.00 0.39 H new ATOM 0 HB3 SER B 3 0.133 7.207 10.835 1.00 0.39 H new ATOM 0 HG SER B 3 1.711 8.700 9.028 1.00 1.00 H new ATOM 958 N ILE B 4 1.989 4.525 10.647 1.00 0.27 N ATOM 959 CA ILE B 4 1.861 3.121 10.980 1.00 0.24 C ATOM 960 C ILE B 4 3.232 2.623 11.398 1.00 0.26 C ATOM 961 O ILE B 4 3.372 1.757 12.260 1.00 0.32 O ATOM 962 CB ILE B 4 1.347 2.286 9.785 1.00 0.22 C ATOM 963 CG1 ILE B 4 0.312 3.080 8.973 1.00 0.27 C ATOM 964 CG2 ILE B 4 0.738 0.983 10.285 1.00 0.23 C ATOM 965 CD1 ILE B 4 -0.210 2.347 7.756 1.00 0.23 C ATOM 0 H ILE B 4 2.061 4.720 9.648 1.00 0.27 H new ATOM 0 HA ILE B 4 1.133 3.010 11.783 1.00 0.24 H new ATOM 0 HB ILE B 4 2.190 2.057 9.133 1.00 0.22 H new ATOM 0 HG12 ILE B 4 -0.528 3.331 9.621 1.00 0.27 H new ATOM 0 HG13 ILE B 4 0.760 4.021 8.653 1.00 0.27 H new ATOM 0 HG21 ILE B 4 0.378 0.400 9.437 1.00 0.23 H new ATOM 0 HG22 ILE B 4 1.494 0.411 10.823 1.00 0.23 H new ATOM 0 HG23 ILE B 4 -0.095 1.203 10.953 1.00 0.23 H new ATOM 0 HD11 ILE B 4 -0.935 2.974 7.237 1.00 0.23 H new ATOM 0 HD12 ILE B 4 0.618 2.119 7.085 1.00 0.23 H new ATOM 0 HD13 ILE B 4 -0.690 1.419 8.068 1.00 0.23 H new ATOM 977 N GLY B 5 4.243 3.211 10.760 1.00 0.27 N ATOM 978 CA GLY B 5 5.624 2.964 11.113 1.00 0.32 C ATOM 979 C GLY B 5 6.043 1.535 10.854 1.00 0.31 C ATOM 980 O GLY B 5 7.027 1.052 11.418 1.00 0.43 O ATOM 0 H GLY B 5 4.120 3.867 9.989 1.00 0.27 H new ATOM 0 HA2 GLY B 5 6.266 3.636 10.544 1.00 0.32 H new ATOM 0 HA3 GLY B 5 5.773 3.197 12.167 1.00 0.32 H new ATOM 984 N VAL B 6 5.298 0.855 10.004 1.00 0.20 N ATOM 985 CA VAL B 6 5.609 -0.519 9.669 1.00 0.16 C ATOM 986 C VAL B 6 6.111 -0.609 8.240 1.00 0.12 C ATOM 987 O VAL B 6 5.517 -0.040 7.319 1.00 0.13 O ATOM 988 CB VAL B 6 4.397 -1.461 9.856 1.00 0.19 C ATOM 989 CG1 VAL B 6 3.993 -1.545 11.318 1.00 0.25 C ATOM 990 CG2 VAL B 6 3.219 -1.014 9.016 1.00 0.22 C ATOM 0 H VAL B 6 4.475 1.232 9.534 1.00 0.20 H new ATOM 0 HA VAL B 6 6.388 -0.846 10.357 1.00 0.16 H new ATOM 0 HB VAL B 6 4.701 -2.453 9.521 1.00 0.19 H new ATOM 0 HG11 VAL B 6 3.139 -2.214 11.422 1.00 0.25 H new ATOM 0 HG12 VAL B 6 4.828 -1.929 11.905 1.00 0.25 H new ATOM 0 HG13 VAL B 6 3.723 -0.552 11.678 1.00 0.25 H new ATOM 0 HG21 VAL B 6 2.383 -1.696 9.169 1.00 0.22 H new ATOM 0 HG22 VAL B 6 2.924 -0.007 9.310 1.00 0.22 H new ATOM 0 HG23 VAL B 6 3.501 -1.017 7.963 1.00 0.22 H new ATOM 1000 N VAL B 7 7.210 -1.310 8.067 1.00 0.12 N ATOM 1001 CA VAL B 7 7.783 -1.510 6.755 1.00 0.12 C ATOM 1002 C VAL B 7 7.527 -2.943 6.315 1.00 0.12 C ATOM 1003 O VAL B 7 7.555 -3.871 7.130 1.00 0.15 O ATOM 1004 CB VAL B 7 9.299 -1.189 6.737 1.00 0.13 C ATOM 1005 CG1 VAL B 7 10.084 -2.138 7.632 1.00 0.16 C ATOM 1006 CG2 VAL B 7 9.834 -1.210 5.314 1.00 0.15 C ATOM 0 H VAL B 7 7.728 -1.754 8.825 1.00 0.12 H new ATOM 0 HA VAL B 7 7.307 -0.822 6.056 1.00 0.12 H new ATOM 0 HB VAL B 7 9.431 -0.184 7.138 1.00 0.13 H new ATOM 0 HG11 VAL B 7 11.143 -1.882 7.594 1.00 0.16 H new ATOM 0 HG12 VAL B 7 9.726 -2.050 8.658 1.00 0.16 H new ATOM 0 HG13 VAL B 7 9.946 -3.162 7.286 1.00 0.16 H new ATOM 0 HG21 VAL B 7 10.900 -0.982 5.323 1.00 0.15 H new ATOM 0 HG22 VAL B 7 9.678 -2.198 4.881 1.00 0.15 H new ATOM 0 HG23 VAL B 7 9.309 -0.465 4.717 1.00 0.15 H new ATOM 1016 N ARG B 8 7.242 -3.120 5.042 1.00 0.12 N ATOM 1017 CA ARG B 8 6.886 -4.422 4.525 1.00 0.13 C ATOM 1018 C ARG B 8 7.943 -4.927 3.589 1.00 0.13 C ATOM 1019 O ARG B 8 8.728 -4.157 3.036 1.00 0.16 O ATOM 1020 CB ARG B 8 5.538 -4.375 3.811 1.00 0.15 C ATOM 1021 CG ARG B 8 4.421 -5.026 4.602 1.00 0.30 C ATOM 1022 CD ARG B 8 4.444 -4.561 6.048 1.00 0.18 C ATOM 1023 NE ARG B 8 3.265 -4.984 6.790 1.00 0.55 N ATOM 1024 CZ ARG B 8 3.216 -5.065 8.117 1.00 0.50 C ATOM 1025 NH1 ARG B 8 4.300 -4.799 8.833 1.00 0.55 N ATOM 1026 NH2 ARG B 8 2.090 -5.418 8.721 1.00 1.09 N ATOM 0 H ARG B 8 7.250 -2.375 4.345 1.00 0.12 H new ATOM 0 HA ARG B 8 6.808 -5.106 5.370 1.00 0.13 H new ATOM 0 HB2 ARG B 8 5.276 -3.336 3.612 1.00 0.15 H new ATOM 0 HB3 ARG B 8 5.628 -4.872 2.845 1.00 0.15 H new ATOM 0 HG2 ARG B 8 3.459 -4.781 4.151 1.00 0.30 H new ATOM 0 HG3 ARG B 8 4.525 -6.110 4.562 1.00 0.30 H new ATOM 0 HD2 ARG B 8 5.336 -4.951 6.537 1.00 0.18 H new ATOM 0 HD3 ARG B 8 4.515 -3.474 6.075 1.00 0.18 H new ATOM 0 HE ARG B 8 2.428 -5.233 6.262 1.00 0.55 H new ATOM 0 HH11 ARG B 8 5.167 -4.533 8.366 1.00 0.55 H new ATOM 0 HH12 ARG B 8 4.267 -4.860 9.851 1.00 0.55 H new ATOM 0 HH21 ARG B 8 1.259 -5.628 8.168 1.00 1.09 H new ATOM 0 HH22 ARG B 8 2.055 -5.479 9.739 1.00 1.09 H new ATOM 1040 N LYS B 9 7.967 -6.227 3.434 1.00 0.13 N ATOM 1041 CA LYS B 9 8.911 -6.870 2.562 1.00 0.14 C ATOM 1042 C LYS B 9 8.146 -7.610 1.485 1.00 0.17 C ATOM 1043 O LYS B 9 7.329 -8.481 1.788 1.00 0.21 O ATOM 1044 CB LYS B 9 9.794 -7.824 3.374 1.00 0.19 C ATOM 1045 CG LYS B 9 10.477 -7.158 4.570 1.00 0.54 C ATOM 1046 CD LYS B 9 11.220 -5.889 4.170 1.00 0.26 C ATOM 1047 CE LYS B 9 11.781 -5.141 5.370 1.00 0.79 C ATOM 1048 NZ LYS B 9 12.937 -5.840 5.987 1.00 1.16 N ATOM 0 H LYS B 9 7.332 -6.867 3.910 1.00 0.13 H new ATOM 0 HA LYS B 9 9.561 -6.134 2.090 1.00 0.14 H new ATOM 0 HB2 LYS B 9 9.185 -8.655 3.730 1.00 0.19 H new ATOM 0 HB3 LYS B 9 10.557 -8.246 2.719 1.00 0.19 H new ATOM 0 HG2 LYS B 9 9.730 -6.917 5.326 1.00 0.54 H new ATOM 0 HG3 LYS B 9 11.176 -7.859 5.025 1.00 0.54 H new ATOM 0 HD2 LYS B 9 12.035 -6.147 3.493 1.00 0.26 H new ATOM 0 HD3 LYS B 9 10.544 -5.234 3.621 1.00 0.26 H new ATOM 0 HE2 LYS B 9 12.088 -4.142 5.060 1.00 0.79 H new ATOM 0 HE3 LYS B 9 10.996 -5.016 6.116 1.00 0.79 H new ATOM 0 HZ1 LYS B 9 13.282 -5.290 6.799 1.00 1.16 H new ATOM 0 HZ2 LYS B 9 12.641 -6.784 6.308 1.00 1.16 H new ATOM 0 HZ3 LYS B 9 13.699 -5.936 5.286 1.00 1.16 H new ATOM 1062 N VAL B 10 8.379 -7.224 0.240 1.00 0.16 N ATOM 1063 CA VAL B 10 7.692 -7.822 -0.889 1.00 0.18 C ATOM 1064 C VAL B 10 7.917 -9.333 -0.922 1.00 0.20 C ATOM 1065 O VAL B 10 8.997 -9.818 -0.599 1.00 0.25 O ATOM 1066 CB VAL B 10 8.136 -7.160 -2.223 1.00 0.18 C ATOM 1067 CG1 VAL B 10 7.844 -8.050 -3.416 1.00 0.20 C ATOM 1068 CG2 VAL B 10 7.441 -5.820 -2.396 1.00 0.16 C ATOM 0 H VAL B 10 9.044 -6.493 -0.013 1.00 0.16 H new ATOM 0 HA VAL B 10 6.623 -7.644 -0.769 1.00 0.18 H new ATOM 0 HB VAL B 10 9.214 -7.009 -2.175 1.00 0.18 H new ATOM 0 HG11 VAL B 10 8.169 -7.552 -4.330 1.00 0.20 H new ATOM 0 HG12 VAL B 10 8.380 -8.993 -3.306 1.00 0.20 H new ATOM 0 HG13 VAL B 10 6.773 -8.246 -3.471 1.00 0.20 H new ATOM 0 HG21 VAL B 10 7.759 -5.364 -3.334 1.00 0.16 H new ATOM 0 HG22 VAL B 10 6.361 -5.970 -2.413 1.00 0.16 H new ATOM 0 HG23 VAL B 10 7.704 -5.164 -1.566 1.00 0.16 H new ATOM 1078 N ASP B 11 6.859 -10.060 -1.251 1.00 0.18 N ATOM 1079 CA ASP B 11 6.926 -11.508 -1.420 1.00 0.20 C ATOM 1080 C ASP B 11 7.954 -11.856 -2.490 1.00 0.23 C ATOM 1081 O ASP B 11 9.085 -12.222 -2.176 1.00 0.26 O ATOM 1082 CB ASP B 11 5.537 -12.048 -1.796 1.00 0.23 C ATOM 1083 CG ASP B 11 5.556 -13.482 -2.301 1.00 0.40 C ATOM 1084 OD1 ASP B 11 5.646 -14.414 -1.475 1.00 1.22 O ATOM 1085 OD2 ASP B 11 5.455 -13.676 -3.532 1.00 1.14 O ATOM 0 H ASP B 11 5.931 -9.666 -1.408 1.00 0.18 H new ATOM 0 HA ASP B 11 7.236 -11.973 -0.484 1.00 0.20 H new ATOM 0 HB2 ASP B 11 4.885 -11.987 -0.925 1.00 0.23 H new ATOM 0 HB3 ASP B 11 5.103 -11.407 -2.564 1.00 0.23 H new ATOM 1090 N GLU B 12 7.544 -11.727 -3.747 1.00 0.24 N ATOM 1091 CA GLU B 12 8.426 -11.894 -4.895 1.00 0.28 C ATOM 1092 C GLU B 12 7.882 -11.056 -6.045 1.00 0.27 C ATOM 1093 O GLU B 12 8.620 -10.361 -6.742 1.00 0.34 O ATOM 1094 CB GLU B 12 8.502 -13.366 -5.332 1.00 0.35 C ATOM 1095 CG GLU B 12 8.880 -14.325 -4.217 1.00 0.40 C ATOM 1096 CD GLU B 12 8.935 -15.763 -4.668 1.00 0.48 C ATOM 1097 OE1 GLU B 12 7.887 -16.304 -5.074 1.00 1.17 O ATOM 1098 OE2 GLU B 12 10.025 -16.366 -4.600 1.00 1.22 O ATOM 0 H GLU B 12 6.582 -11.502 -3.999 1.00 0.24 H new ATOM 0 HA GLU B 12 9.430 -11.572 -4.619 1.00 0.28 H new ATOM 0 HB2 GLU B 12 7.536 -13.663 -5.740 1.00 0.35 H new ATOM 0 HB3 GLU B 12 9.230 -13.457 -6.138 1.00 0.35 H new ATOM 0 HG2 GLU B 12 9.852 -14.039 -3.814 1.00 0.40 H new ATOM 0 HG3 GLU B 12 8.158 -14.232 -3.405 1.00 0.40 H new ATOM 1105 N LEU B 13 6.566 -11.121 -6.207 1.00 0.26 N ATOM 1106 CA LEU B 13 5.865 -10.398 -7.266 1.00 0.26 C ATOM 1107 C LEU B 13 5.645 -8.942 -6.887 1.00 0.25 C ATOM 1108 O LEU B 13 5.524 -8.074 -7.749 1.00 0.39 O ATOM 1109 CB LEU B 13 4.498 -11.033 -7.495 1.00 0.32 C ATOM 1110 CG LEU B 13 4.479 -12.554 -7.581 1.00 0.32 C ATOM 1111 CD1 LEU B 13 3.052 -13.047 -7.448 1.00 0.90 C ATOM 1112 CD2 LEU B 13 5.094 -13.030 -8.888 1.00 0.79 C ATOM 0 H LEU B 13 5.953 -11.676 -5.609 1.00 0.26 H new ATOM 0 HA LEU B 13 6.478 -10.449 -8.166 1.00 0.26 H new ATOM 0 HB2 LEU B 13 3.835 -10.725 -6.686 1.00 0.32 H new ATOM 0 HB3 LEU B 13 4.082 -10.631 -8.418 1.00 0.32 H new ATOM 0 HG LEU B 13 5.076 -12.964 -6.767 1.00 0.32 H new ATOM 0 HD11 LEU B 13 3.036 -14.135 -7.509 1.00 0.90 H new ATOM 0 HD12 LEU B 13 2.646 -12.732 -6.487 1.00 0.90 H new ATOM 0 HD13 LEU B 13 2.446 -12.629 -8.252 1.00 0.90 H new ATOM 0 HD21 LEU B 13 5.069 -14.119 -8.926 1.00 0.79 H new ATOM 0 HD22 LEU B 13 4.527 -12.624 -9.726 1.00 0.79 H new ATOM 0 HD23 LEU B 13 6.127 -12.688 -8.950 1.00 0.79 H new ATOM 1124 N GLY B 14 5.568 -8.691 -5.592 1.00 0.15 N ATOM 1125 CA GLY B 14 5.231 -7.367 -5.104 1.00 0.13 C ATOM 1126 C GLY B 14 4.126 -7.425 -4.071 1.00 0.11 C ATOM 1127 O GLY B 14 3.698 -6.406 -3.544 1.00 0.12 O ATOM 0 H GLY B 14 5.734 -9.384 -4.862 1.00 0.15 H new ATOM 0 HA2 GLY B 14 6.115 -6.902 -4.668 1.00 0.13 H new ATOM 0 HA3 GLY B 14 4.919 -6.738 -5.938 1.00 0.13 H new ATOM 1131 N ARG B 15 3.662 -8.634 -3.789 1.00 0.11 N ATOM 1132 CA ARG B 15 2.644 -8.844 -2.771 1.00 0.11 C ATOM 1133 C ARG B 15 3.206 -8.517 -1.392 1.00 0.09 C ATOM 1134 O ARG B 15 4.293 -8.974 -1.044 1.00 0.12 O ATOM 1135 CB ARG B 15 2.161 -10.299 -2.784 1.00 0.14 C ATOM 1136 CG ARG B 15 1.595 -10.764 -4.118 1.00 0.17 C ATOM 1137 CD ARG B 15 0.517 -11.817 -3.911 1.00 0.29 C ATOM 1138 NE ARG B 15 0.014 -12.343 -5.178 1.00 1.30 N ATOM 1139 CZ ARG B 15 -1.252 -12.227 -5.582 1.00 1.93 C ATOM 1140 NH1 ARG B 15 -2.164 -11.683 -4.785 1.00 1.94 N ATOM 1141 NH2 ARG B 15 -1.610 -12.694 -6.769 1.00 2.91 N ATOM 0 H ARG B 15 3.976 -9.487 -4.253 1.00 0.11 H new ATOM 0 HA ARG B 15 1.804 -8.185 -2.990 1.00 0.11 H new ATOM 0 HB2 ARG B 15 2.994 -10.947 -2.511 1.00 0.14 H new ATOM 0 HB3 ARG B 15 1.397 -10.422 -2.017 1.00 0.14 H new ATOM 0 HG2 ARG B 15 1.179 -9.913 -4.658 1.00 0.17 H new ATOM 0 HG3 ARG B 15 2.395 -11.173 -4.735 1.00 0.17 H new ATOM 0 HD2 ARG B 15 0.919 -12.635 -3.313 1.00 0.29 H new ATOM 0 HD3 ARG B 15 -0.308 -11.385 -3.345 1.00 0.29 H new ATOM 0 HE ARG B 15 0.670 -12.828 -5.790 1.00 1.30 H new ATOM 0 HH11 ARG B 15 -1.898 -11.351 -3.858 1.00 1.94 H new ATOM 0 HH12 ARG B 15 -3.130 -11.597 -5.100 1.00 1.94 H new ATOM 0 HH21 ARG B 15 -0.918 -13.141 -7.371 1.00 2.91 H new ATOM 0 HH22 ARG B 15 -2.577 -12.607 -7.081 1.00 2.91 H new ATOM 1155 N ILE B 16 2.480 -7.717 -0.616 1.00 0.09 N ATOM 1156 CA ILE B 16 2.898 -7.398 0.747 1.00 0.09 C ATOM 1157 C ILE B 16 1.678 -7.401 1.666 1.00 0.09 C ATOM 1158 O ILE B 16 0.546 -7.563 1.215 1.00 0.11 O ATOM 1159 CB ILE B 16 3.649 -6.033 0.862 1.00 0.11 C ATOM 1160 CG1 ILE B 16 2.686 -4.885 1.175 1.00 0.11 C ATOM 1161 CG2 ILE B 16 4.440 -5.728 -0.403 1.00 0.16 C ATOM 1162 CD1 ILE B 16 3.321 -3.513 1.096 1.00 0.14 C ATOM 0 H ILE B 16 1.605 -7.280 -0.905 1.00 0.09 H new ATOM 0 HA ILE B 16 3.609 -8.167 1.050 1.00 0.09 H new ATOM 0 HB ILE B 16 4.349 -6.124 1.692 1.00 0.11 H new ATOM 0 HG12 ILE B 16 1.848 -4.927 0.480 1.00 0.11 H new ATOM 0 HG13 ILE B 16 2.278 -5.029 2.175 1.00 0.11 H new ATOM 0 HG21 ILE B 16 4.951 -4.772 -0.291 1.00 0.16 H new ATOM 0 HG22 ILE B 16 5.175 -6.515 -0.571 1.00 0.16 H new ATOM 0 HG23 ILE B 16 3.761 -5.679 -1.254 1.00 0.16 H new ATOM 0 HD11 ILE B 16 2.576 -2.753 1.331 1.00 0.14 H new ATOM 0 HD12 ILE B 16 4.141 -3.450 1.811 1.00 0.14 H new ATOM 0 HD13 ILE B 16 3.704 -3.347 0.089 1.00 0.14 H new ATOM 1174 N VAL B 17 1.905 -7.216 2.948 1.00 0.09 N ATOM 1175 CA VAL B 17 0.827 -7.269 3.913 1.00 0.10 C ATOM 1176 C VAL B 17 0.457 -5.868 4.397 1.00 0.11 C ATOM 1177 O VAL B 17 1.223 -5.222 5.108 1.00 0.16 O ATOM 1178 CB VAL B 17 1.179 -8.196 5.107 1.00 0.14 C ATOM 1179 CG1 VAL B 17 2.644 -8.058 5.517 1.00 0.18 C ATOM 1180 CG2 VAL B 17 0.257 -7.934 6.295 1.00 0.19 C ATOM 0 H VAL B 17 2.825 -7.028 3.347 1.00 0.09 H new ATOM 0 HA VAL B 17 -0.043 -7.694 3.412 1.00 0.10 H new ATOM 0 HB VAL B 17 1.026 -9.223 4.775 1.00 0.14 H new ATOM 0 HG11 VAL B 17 2.851 -8.723 6.356 1.00 0.18 H new ATOM 0 HG12 VAL B 17 3.284 -8.325 4.676 1.00 0.18 H new ATOM 0 HG13 VAL B 17 2.844 -7.028 5.812 1.00 0.18 H new ATOM 0 HG21 VAL B 17 0.526 -8.597 7.117 1.00 0.19 H new ATOM 0 HG22 VAL B 17 0.362 -6.897 6.615 1.00 0.19 H new ATOM 0 HG23 VAL B 17 -0.776 -8.120 6.002 1.00 0.19 H new ATOM 1190 N MET B 18 -0.709 -5.392 3.974 1.00 0.10 N ATOM 1191 CA MET B 18 -1.237 -4.125 4.470 1.00 0.11 C ATOM 1192 C MET B 18 -1.763 -4.326 5.883 1.00 0.10 C ATOM 1193 O MET B 18 -2.130 -5.440 6.258 1.00 0.15 O ATOM 1194 CB MET B 18 -2.357 -3.599 3.565 1.00 0.18 C ATOM 1195 CG MET B 18 -1.890 -2.986 2.253 1.00 0.29 C ATOM 1196 SD MET B 18 -1.231 -1.318 2.453 1.00 0.94 S ATOM 1197 CE MET B 18 0.527 -1.623 2.411 1.00 0.54 C ATOM 0 H MET B 18 -1.305 -5.861 3.292 1.00 0.10 H new ATOM 0 HA MET B 18 -0.435 -3.387 4.471 1.00 0.11 H new ATOM 0 HB2 MET B 18 -3.039 -4.419 3.343 1.00 0.18 H new ATOM 0 HB3 MET B 18 -2.927 -2.851 4.116 1.00 0.18 H new ATOM 0 HG2 MET B 18 -1.124 -3.624 1.812 1.00 0.29 H new ATOM 0 HG3 MET B 18 -2.725 -2.960 1.552 1.00 0.29 H new ATOM 0 HE1 MET B 18 1.062 -0.691 2.595 1.00 0.54 H new ATOM 0 HE2 MET B 18 0.789 -2.350 3.180 1.00 0.54 H new ATOM 0 HE3 MET B 18 0.805 -2.015 1.432 1.00 0.54 H new ATOM 1207 N PRO B 19 -1.805 -3.265 6.692 1.00 0.12 N ATOM 1208 CA PRO B 19 -2.195 -3.375 8.082 1.00 0.13 C ATOM 1209 C PRO B 19 -3.701 -3.277 8.293 1.00 0.13 C ATOM 1210 O PRO B 19 -4.436 -2.694 7.480 1.00 0.13 O ATOM 1211 CB PRO B 19 -1.480 -2.192 8.730 1.00 0.15 C ATOM 1212 CG PRO B 19 -1.339 -1.168 7.649 1.00 0.19 C ATOM 1213 CD PRO B 19 -1.481 -1.879 6.323 1.00 0.19 C ATOM 0 HA PRO B 19 -1.929 -4.345 8.503 1.00 0.13 H new ATOM 0 HB2 PRO B 19 -2.053 -1.799 9.570 1.00 0.15 H new ATOM 0 HB3 PRO B 19 -0.506 -2.488 9.120 1.00 0.15 H new ATOM 0 HG2 PRO B 19 -2.101 -0.395 7.752 1.00 0.19 H new ATOM 0 HG3 PRO B 19 -0.371 -0.672 7.716 1.00 0.19 H new ATOM 0 HD2 PRO B 19 -2.268 -1.434 5.714 1.00 0.19 H new ATOM 0 HD3 PRO B 19 -0.560 -1.826 5.742 1.00 0.19 H new ATOM 1221 N ILE B 20 -4.163 -3.852 9.394 1.00 0.15 N ATOM 1222 CA ILE B 20 -5.543 -3.684 9.814 1.00 0.16 C ATOM 1223 C ILE B 20 -5.854 -2.197 9.952 1.00 0.16 C ATOM 1224 O ILE B 20 -6.969 -1.762 9.713 1.00 0.17 O ATOM 1225 CB ILE B 20 -5.830 -4.412 11.149 1.00 0.18 C ATOM 1226 CG1 ILE B 20 -7.220 -4.051 11.683 1.00 0.20 C ATOM 1227 CG2 ILE B 20 -4.756 -4.093 12.179 1.00 0.18 C ATOM 1228 CD1 ILE B 20 -8.350 -4.534 10.804 1.00 0.22 C ATOM 0 H ILE B 20 -3.601 -4.438 10.011 1.00 0.15 H new ATOM 0 HA ILE B 20 -6.185 -4.129 9.054 1.00 0.16 H new ATOM 0 HB ILE B 20 -5.811 -5.485 10.958 1.00 0.18 H new ATOM 0 HG12 ILE B 20 -7.339 -4.476 12.680 1.00 0.20 H new ATOM 0 HG13 ILE B 20 -7.290 -2.968 11.788 1.00 0.20 H new ATOM 0 HG21 ILE B 20 -4.978 -4.615 13.110 1.00 0.18 H new ATOM 0 HG22 ILE B 20 -3.785 -4.416 11.804 1.00 0.18 H new ATOM 0 HG23 ILE B 20 -4.735 -3.019 12.362 1.00 0.18 H new ATOM 0 HD11 ILE B 20 -9.304 -4.243 11.244 1.00 0.22 H new ATOM 0 HD12 ILE B 20 -8.256 -4.089 9.814 1.00 0.22 H new ATOM 0 HD13 ILE B 20 -8.306 -5.620 10.719 1.00 0.22 H new ATOM 1240 N GLU B 21 -4.835 -1.429 10.302 1.00 0.16 N ATOM 1241 CA GLU B 21 -4.938 0.019 10.403 1.00 0.16 C ATOM 1242 C GLU B 21 -5.375 0.630 9.075 1.00 0.16 C ATOM 1243 O GLU B 21 -6.057 1.643 9.054 1.00 0.18 O ATOM 1244 CB GLU B 21 -3.586 0.588 10.820 1.00 0.18 C ATOM 1245 CG GLU B 21 -2.961 -0.174 11.974 1.00 0.23 C ATOM 1246 CD GLU B 21 -3.740 -0.028 13.263 1.00 0.29 C ATOM 1247 OE1 GLU B 21 -4.703 -0.800 13.476 1.00 1.06 O ATOM 1248 OE2 GLU B 21 -3.382 0.844 14.077 1.00 1.07 O ATOM 0 H GLU B 21 -3.909 -1.793 10.525 1.00 0.16 H new ATOM 0 HA GLU B 21 -5.691 0.268 11.151 1.00 0.16 H new ATOM 0 HB2 GLU B 21 -2.908 0.567 9.966 1.00 0.18 H new ATOM 0 HB3 GLU B 21 -3.708 1.633 11.104 1.00 0.18 H new ATOM 0 HG2 GLU B 21 -2.895 -1.230 11.713 1.00 0.23 H new ATOM 0 HG3 GLU B 21 -1.942 0.181 12.128 1.00 0.23 H new ATOM 1255 N LEU B 22 -5.002 -0.011 7.969 1.00 0.14 N ATOM 1256 CA LEU B 22 -5.427 0.434 6.650 1.00 0.15 C ATOM 1257 C LEU B 22 -6.873 0.043 6.447 1.00 0.15 C ATOM 1258 O LEU B 22 -7.679 0.801 5.911 1.00 0.17 O ATOM 1259 CB LEU B 22 -4.543 -0.180 5.552 1.00 0.15 C ATOM 1260 CG LEU B 22 -5.273 -0.583 4.261 1.00 0.19 C ATOM 1261 CD1 LEU B 22 -4.443 -0.224 3.042 1.00 0.24 C ATOM 1262 CD2 LEU B 22 -5.572 -2.079 4.265 1.00 0.18 C ATOM 0 H LEU B 22 -4.407 -0.839 7.963 1.00 0.14 H new ATOM 0 HA LEU B 22 -5.326 1.517 6.585 1.00 0.15 H new ATOM 0 HB2 LEU B 22 -3.761 0.535 5.298 1.00 0.15 H new ATOM 0 HB3 LEU B 22 -4.049 -1.062 5.959 1.00 0.15 H new ATOM 0 HG LEU B 22 -6.214 -0.034 4.216 1.00 0.19 H new ATOM 0 HD11 LEU B 22 -4.978 -0.518 2.139 1.00 0.24 H new ATOM 0 HD12 LEU B 22 -4.266 0.851 3.026 1.00 0.24 H new ATOM 0 HD13 LEU B 22 -3.488 -0.748 3.085 1.00 0.24 H new ATOM 0 HD21 LEU B 22 -6.089 -2.349 3.344 1.00 0.18 H new ATOM 0 HD22 LEU B 22 -4.638 -2.637 4.334 1.00 0.18 H new ATOM 0 HD23 LEU B 22 -6.203 -2.322 5.120 1.00 0.18 H new ATOM 1274 N ARG B 23 -7.195 -1.154 6.903 1.00 0.14 N ATOM 1275 CA ARG B 23 -8.565 -1.643 6.830 1.00 0.15 C ATOM 1276 C ARG B 23 -9.481 -0.814 7.729 1.00 0.19 C ATOM 1277 O ARG B 23 -10.682 -0.697 7.476 1.00 0.23 O ATOM 1278 CB ARG B 23 -8.638 -3.126 7.213 1.00 0.16 C ATOM 1279 CG ARG B 23 -7.754 -4.021 6.359 1.00 0.16 C ATOM 1280 CD ARG B 23 -8.163 -5.486 6.464 1.00 0.35 C ATOM 1281 NE ARG B 23 -7.733 -6.127 7.705 1.00 0.64 N ATOM 1282 CZ ARG B 23 -8.515 -6.930 8.428 1.00 0.58 C ATOM 1283 NH1 ARG B 23 -9.787 -7.098 8.092 1.00 0.73 N ATOM 1284 NH2 ARG B 23 -8.036 -7.556 9.495 1.00 1.30 N ATOM 0 H ARG B 23 -6.533 -1.804 7.326 1.00 0.14 H new ATOM 0 HA ARG B 23 -8.905 -1.540 5.800 1.00 0.15 H new ATOM 0 HB2 ARG B 23 -8.350 -3.237 8.258 1.00 0.16 H new ATOM 0 HB3 ARG B 23 -9.671 -3.464 7.129 1.00 0.16 H new ATOM 0 HG2 ARG B 23 -7.810 -3.701 5.318 1.00 0.16 H new ATOM 0 HG3 ARG B 23 -6.715 -3.910 6.671 1.00 0.16 H new ATOM 0 HD2 ARG B 23 -9.248 -5.558 6.385 1.00 0.35 H new ATOM 0 HD3 ARG B 23 -7.745 -6.033 5.619 1.00 0.35 H new ATOM 0 HE ARG B 23 -6.784 -5.951 8.036 1.00 0.64 H new ATOM 0 HH11 ARG B 23 -10.168 -6.613 7.280 1.00 0.73 H new ATOM 0 HH12 ARG B 23 -10.384 -7.712 8.646 1.00 0.73 H new ATOM 0 HH21 ARG B 23 -7.062 -7.425 9.769 1.00 1.30 H new ATOM 0 HH22 ARG B 23 -8.642 -8.168 10.042 1.00 1.30 H new ATOM 1298 N ARG B 24 -8.893 -0.234 8.766 1.00 0.18 N ATOM 1299 CA ARG B 24 -9.608 0.619 9.707 1.00 0.20 C ATOM 1300 C ARG B 24 -9.682 2.037 9.161 1.00 0.22 C ATOM 1301 O ARG B 24 -10.673 2.746 9.347 1.00 0.26 O ATOM 1302 CB ARG B 24 -8.889 0.620 11.064 1.00 0.22 C ATOM 1303 CG ARG B 24 -8.934 -0.721 11.779 1.00 0.24 C ATOM 1304 CD ARG B 24 -7.979 -0.764 12.962 1.00 0.27 C ATOM 1305 NE ARG B 24 -8.519 -0.115 14.157 1.00 0.41 N ATOM 1306 CZ ARG B 24 -7.826 0.059 15.286 1.00 0.67 C ATOM 1307 NH1 ARG B 24 -6.524 -0.202 15.323 1.00 0.79 N ATOM 1308 NH2 ARG B 24 -8.428 0.530 16.371 1.00 0.87 N ATOM 0 H ARG B 24 -7.902 -0.342 8.980 1.00 0.18 H new ATOM 0 HA ARG B 24 -10.619 0.233 9.841 1.00 0.20 H new ATOM 0 HB2 ARG B 24 -7.848 0.907 10.914 1.00 0.22 H new ATOM 0 HB3 ARG B 24 -9.340 1.379 11.704 1.00 0.22 H new ATOM 0 HG2 ARG B 24 -9.949 -0.914 12.125 1.00 0.24 H new ATOM 0 HG3 ARG B 24 -8.679 -1.515 11.077 1.00 0.24 H new ATOM 0 HD2 ARG B 24 -7.744 -1.803 13.194 1.00 0.27 H new ATOM 0 HD3 ARG B 24 -7.043 -0.280 12.684 1.00 0.27 H new ATOM 0 HE ARG B 24 -9.480 0.224 14.126 1.00 0.41 H new ATOM 0 HH11 ARG B 24 -6.047 -0.537 14.486 1.00 0.79 H new ATOM 0 HH12 ARG B 24 -6.001 -0.067 16.188 1.00 0.79 H new ATOM 0 HH21 ARG B 24 -9.421 0.760 16.344 1.00 0.87 H new ATOM 0 HH22 ARG B 24 -7.897 0.662 17.232 1.00 0.87 H new ATOM 1322 N ALA B 25 -8.614 2.425 8.480 1.00 0.20 N ATOM 1323 CA ALA B 25 -8.484 3.750 7.893 1.00 0.22 C ATOM 1324 C ALA B 25 -9.545 3.982 6.843 1.00 0.26 C ATOM 1325 O ALA B 25 -10.269 4.975 6.868 1.00 0.28 O ATOM 1326 CB ALA B 25 -7.120 3.870 7.240 1.00 0.23 C ATOM 0 H ALA B 25 -7.806 1.824 8.318 1.00 0.20 H new ATOM 0 HA ALA B 25 -8.602 4.492 8.683 1.00 0.22 H new ATOM 0 HB1 ALA B 25 -7.014 4.860 6.797 1.00 0.23 H new ATOM 0 HB2 ALA B 25 -6.343 3.723 7.990 1.00 0.23 H new ATOM 0 HB3 ALA B 25 -7.021 3.113 6.462 1.00 0.23 H new ATOM 1332 N LEU B 26 -9.630 3.039 5.928 1.00 0.28 N ATOM 1333 CA LEU B 26 -10.516 3.159 4.796 1.00 0.37 C ATOM 1334 C LEU B 26 -11.886 2.582 5.109 1.00 0.41 C ATOM 1335 O LEU B 26 -12.788 3.297 5.545 1.00 0.57 O ATOM 1336 CB LEU B 26 -9.913 2.446 3.589 1.00 0.35 C ATOM 1337 CG LEU B 26 -8.593 3.021 3.088 1.00 0.39 C ATOM 1338 CD1 LEU B 26 -7.938 2.068 2.100 1.00 0.40 C ATOM 1339 CD2 LEU B 26 -8.823 4.377 2.440 1.00 0.52 C ATOM 0 H LEU B 26 -9.089 2.174 5.950 1.00 0.28 H new ATOM 0 HA LEU B 26 -10.638 4.218 4.568 1.00 0.37 H new ATOM 0 HB2 LEU B 26 -9.760 1.398 3.845 1.00 0.35 H new ATOM 0 HB3 LEU B 26 -10.635 2.473 2.773 1.00 0.35 H new ATOM 0 HG LEU B 26 -7.925 3.148 3.940 1.00 0.39 H new ATOM 0 HD11 LEU B 26 -6.997 2.494 1.753 1.00 0.40 H new ATOM 0 HD12 LEU B 26 -7.745 1.113 2.589 1.00 0.40 H new ATOM 0 HD13 LEU B 26 -8.602 1.913 1.250 1.00 0.40 H new ATOM 0 HD21 LEU B 26 -7.873 4.777 2.086 1.00 0.52 H new ATOM 0 HD22 LEU B 26 -9.506 4.267 1.598 1.00 0.52 H new ATOM 0 HD23 LEU B 26 -9.255 5.061 3.171 1.00 0.52 H new ATOM 1351 N ASP B 27 -12.002 1.274 4.913 1.00 0.34 N ATOM 1352 CA ASP B 27 -13.264 0.554 5.009 1.00 0.42 C ATOM 1353 C ASP B 27 -13.061 -0.821 4.400 1.00 0.41 C ATOM 1354 O ASP B 27 -13.624 -1.146 3.359 1.00 0.76 O ATOM 1355 CB ASP B 27 -14.400 1.297 4.281 1.00 0.61 C ATOM 1356 CG ASP B 27 -15.713 0.535 4.280 1.00 0.68 C ATOM 1357 OD1 ASP B 27 -16.060 -0.075 5.310 1.00 1.54 O ATOM 1358 OD2 ASP B 27 -16.403 0.546 3.236 1.00 1.34 O ATOM 0 H ASP B 27 -11.210 0.676 4.679 1.00 0.34 H new ATOM 0 HA ASP B 27 -13.557 0.475 6.056 1.00 0.42 H new ATOM 0 HB2 ASP B 27 -14.552 2.267 4.754 1.00 0.61 H new ATOM 0 HB3 ASP B 27 -14.098 1.488 3.251 1.00 0.61 H new ATOM 1363 N ILE B 28 -12.160 -1.584 4.996 1.00 0.22 N ATOM 1364 CA ILE B 28 -11.858 -2.920 4.504 1.00 0.18 C ATOM 1365 C ILE B 28 -12.232 -3.953 5.553 1.00 0.23 C ATOM 1366 O ILE B 28 -11.868 -3.828 6.722 1.00 0.31 O ATOM 1367 CB ILE B 28 -10.367 -3.117 4.109 1.00 0.16 C ATOM 1368 CG1 ILE B 28 -9.945 -2.231 2.923 1.00 0.14 C ATOM 1369 CG2 ILE B 28 -10.128 -4.574 3.750 1.00 0.18 C ATOM 1370 CD1 ILE B 28 -10.109 -0.761 3.162 1.00 0.17 C ATOM 0 H ILE B 28 -11.626 -1.304 5.819 1.00 0.22 H new ATOM 0 HA ILE B 28 -12.449 -3.050 3.598 1.00 0.18 H new ATOM 0 HB ILE B 28 -9.765 -2.824 4.969 1.00 0.16 H new ATOM 0 HG12 ILE B 28 -8.901 -2.434 2.686 1.00 0.14 H new ATOM 0 HG13 ILE B 28 -10.531 -2.512 2.048 1.00 0.14 H new ATOM 0 HG21 ILE B 28 -9.083 -4.714 3.473 1.00 0.18 H new ATOM 0 HG22 ILE B 28 -10.363 -5.203 4.608 1.00 0.18 H new ATOM 0 HG23 ILE B 28 -10.766 -4.851 2.911 1.00 0.18 H new ATOM 0 HD11 ILE B 28 -9.789 -0.211 2.277 1.00 0.17 H new ATOM 0 HD12 ILE B 28 -11.157 -0.540 3.367 1.00 0.17 H new ATOM 0 HD13 ILE B 28 -9.501 -0.461 4.016 1.00 0.17 H new ATOM 1382 N ALA B 29 -12.951 -4.968 5.124 1.00 0.24 N ATOM 1383 CA ALA B 29 -13.470 -5.964 6.033 1.00 0.28 C ATOM 1384 C ALA B 29 -12.730 -7.286 5.899 1.00 0.30 C ATOM 1385 O ALA B 29 -12.257 -7.843 6.886 1.00 0.41 O ATOM 1386 CB ALA B 29 -14.956 -6.134 5.793 1.00 0.29 C ATOM 0 H ALA B 29 -13.190 -5.124 4.145 1.00 0.24 H new ATOM 0 HA ALA B 29 -13.312 -5.623 7.056 1.00 0.28 H new ATOM 0 HB1 ALA B 29 -15.351 -6.885 6.477 1.00 0.29 H new ATOM 0 HB2 ALA B 29 -15.463 -5.184 5.964 1.00 0.29 H new ATOM 0 HB3 ALA B 29 -15.124 -6.455 4.765 1.00 0.29 H new ATOM 1392 N ILE B 30 -12.622 -7.782 4.681 1.00 0.26 N ATOM 1393 CA ILE B 30 -11.916 -9.033 4.436 1.00 0.27 C ATOM 1394 C ILE B 30 -11.176 -8.963 3.101 1.00 0.24 C ATOM 1395 O ILE B 30 -10.098 -9.523 2.954 1.00 0.24 O ATOM 1396 CB ILE B 30 -12.893 -10.242 4.491 1.00 0.30 C ATOM 1397 CG1 ILE B 30 -12.139 -11.586 4.498 1.00 0.34 C ATOM 1398 CG2 ILE B 30 -13.902 -10.184 3.349 1.00 0.28 C ATOM 1399 CD1 ILE B 30 -11.827 -12.154 3.127 1.00 0.34 C ATOM 0 H ILE B 30 -13.011 -7.343 3.847 1.00 0.26 H new ATOM 0 HA ILE B 30 -11.178 -9.182 5.224 1.00 0.27 H new ATOM 0 HB ILE B 30 -13.442 -10.174 5.430 1.00 0.30 H new ATOM 0 HG12 ILE B 30 -11.204 -11.458 5.043 1.00 0.34 H new ATOM 0 HG13 ILE B 30 -12.732 -12.315 5.050 1.00 0.34 H new ATOM 0 HG21 ILE B 30 -14.572 -11.041 3.412 1.00 0.28 H new ATOM 0 HG22 ILE B 30 -14.482 -9.264 3.422 1.00 0.28 H new ATOM 0 HG23 ILE B 30 -13.374 -10.206 2.396 1.00 0.28 H new ATOM 0 HD11 ILE B 30 -11.296 -13.100 3.237 1.00 0.34 H new ATOM 0 HD12 ILE B 30 -12.756 -12.321 2.582 1.00 0.34 H new ATOM 0 HD13 ILE B 30 -11.204 -11.450 2.575 1.00 0.34 H new ATOM 1411 N LYS B 31 -11.761 -8.251 2.147 1.00 0.21 N ATOM 1412 CA LYS B 31 -11.134 -7.996 0.855 1.00 0.19 C ATOM 1413 C LYS B 31 -11.340 -6.537 0.483 1.00 0.16 C ATOM 1414 O LYS B 31 -10.395 -5.822 0.141 1.00 0.15 O ATOM 1415 CB LYS B 31 -11.736 -8.880 -0.243 1.00 0.22 C ATOM 1416 CG LYS B 31 -11.720 -10.364 0.071 1.00 0.29 C ATOM 1417 CD LYS B 31 -11.958 -11.195 -1.176 1.00 0.37 C ATOM 1418 CE LYS B 31 -10.801 -11.063 -2.156 1.00 0.47 C ATOM 1419 NZ LYS B 31 -11.028 -11.845 -3.397 1.00 1.38 N ATOM 0 H LYS B 31 -12.686 -7.833 2.247 1.00 0.21 H new ATOM 0 HA LYS B 31 -10.072 -8.227 0.938 1.00 0.19 H new ATOM 0 HB2 LYS B 31 -12.766 -8.569 -0.420 1.00 0.22 H new ATOM 0 HB3 LYS B 31 -11.188 -8.711 -1.170 1.00 0.22 H new ATOM 0 HG2 LYS B 31 -10.761 -10.634 0.513 1.00 0.29 H new ATOM 0 HG3 LYS B 31 -12.487 -10.589 0.812 1.00 0.29 H new ATOM 0 HD2 LYS B 31 -12.086 -12.242 -0.900 1.00 0.37 H new ATOM 0 HD3 LYS B 31 -12.883 -10.877 -1.657 1.00 0.37 H new ATOM 0 HE2 LYS B 31 -10.660 -10.013 -2.411 1.00 0.47 H new ATOM 0 HE3 LYS B 31 -9.881 -11.401 -1.678 1.00 0.47 H new ATOM 0 HZ1 LYS B 31 -10.216 -11.726 -4.036 1.00 1.38 H new ATOM 0 HZ2 LYS B 31 -11.136 -12.851 -3.158 1.00 1.38 H new ATOM 0 HZ3 LYS B 31 -11.891 -11.506 -3.868 1.00 1.38 H new ATOM 1433 N ASP B 32 -12.593 -6.112 0.603 1.00 0.16 N ATOM 1434 CA ASP B 32 -13.042 -4.776 0.227 1.00 0.15 C ATOM 1435 C ASP B 32 -12.355 -4.222 -1.021 1.00 0.15 C ATOM 1436 O ASP B 32 -12.535 -4.768 -2.106 1.00 0.19 O ATOM 1437 CB ASP B 32 -12.945 -3.826 1.414 1.00 0.15 C ATOM 1438 CG ASP B 32 -14.292 -3.688 2.081 1.00 0.20 C ATOM 1439 OD1 ASP B 32 -15.148 -2.955 1.558 1.00 1.17 O ATOM 1440 OD2 ASP B 32 -14.513 -4.349 3.108 1.00 1.05 O ATOM 0 H ASP B 32 -13.341 -6.699 0.972 1.00 0.16 H new ATOM 0 HA ASP B 32 -14.091 -4.866 -0.055 1.00 0.15 H new ATOM 0 HB2 ASP B 32 -12.213 -4.200 2.130 1.00 0.15 H new ATOM 0 HB3 ASP B 32 -12.594 -2.849 1.080 1.00 0.15 H new ATOM 1445 N SER B 33 -11.588 -3.137 -0.885 1.00 0.14 N ATOM 1446 CA SER B 33 -10.981 -2.482 -2.050 1.00 0.14 C ATOM 1447 C SER B 33 -9.862 -1.533 -1.633 1.00 0.13 C ATOM 1448 O SER B 33 -10.026 -0.764 -0.687 1.00 0.15 O ATOM 1449 CB SER B 33 -12.024 -1.652 -2.803 1.00 0.18 C ATOM 1450 OG SER B 33 -13.199 -2.397 -3.079 1.00 0.24 O ATOM 0 H SER B 33 -11.373 -2.696 0.009 1.00 0.14 H new ATOM 0 HA SER B 33 -10.583 -3.274 -2.684 1.00 0.14 H new ATOM 0 HB2 SER B 33 -12.283 -0.773 -2.213 1.00 0.18 H new ATOM 0 HB3 SER B 33 -11.595 -1.293 -3.738 1.00 0.18 H new ATOM 0 HG SER B 33 -12.977 -3.350 -3.130 1.00 0.24 H new ATOM 1456 N ILE B 34 -8.733 -1.577 -2.338 1.00 0.13 N ATOM 1457 CA ILE B 34 -7.664 -0.606 -2.127 1.00 0.13 C ATOM 1458 C ILE B 34 -6.987 -0.269 -3.457 1.00 0.13 C ATOM 1459 O ILE B 34 -6.203 -1.062 -3.969 1.00 0.14 O ATOM 1460 CB ILE B 34 -6.568 -1.105 -1.145 1.00 0.15 C ATOM 1461 CG1 ILE B 34 -7.155 -1.703 0.141 1.00 0.15 C ATOM 1462 CG2 ILE B 34 -5.638 0.037 -0.794 1.00 0.20 C ATOM 1463 CD1 ILE B 34 -7.512 -3.169 0.022 1.00 0.18 C ATOM 0 H ILE B 34 -8.536 -2.273 -3.058 1.00 0.13 H new ATOM 0 HA ILE B 34 -8.140 0.272 -1.690 1.00 0.13 H new ATOM 0 HB ILE B 34 -6.020 -1.899 -1.652 1.00 0.15 H new ATOM 0 HG12 ILE B 34 -6.436 -1.578 0.951 1.00 0.15 H new ATOM 0 HG13 ILE B 34 -8.048 -1.142 0.418 1.00 0.15 H new ATOM 0 HG21 ILE B 34 -4.871 -0.317 -0.105 1.00 0.20 H new ATOM 0 HG22 ILE B 34 -5.165 0.413 -1.701 1.00 0.20 H new ATOM 0 HG23 ILE B 34 -6.207 0.838 -0.322 1.00 0.20 H new ATOM 0 HD11 ILE B 34 -7.921 -3.522 0.969 1.00 0.18 H new ATOM 0 HD12 ILE B 34 -8.255 -3.300 -0.765 1.00 0.18 H new ATOM 0 HD13 ILE B 34 -6.618 -3.742 -0.224 1.00 0.18 H new ATOM 1475 N GLU B 35 -7.303 0.890 -4.022 1.00 0.13 N ATOM 1476 CA GLU B 35 -6.676 1.332 -5.269 1.00 0.14 C ATOM 1477 C GLU B 35 -5.512 2.255 -4.953 1.00 0.15 C ATOM 1478 O GLU B 35 -5.611 3.094 -4.056 1.00 0.20 O ATOM 1479 CB GLU B 35 -7.685 2.062 -6.165 1.00 0.19 C ATOM 1480 CG GLU B 35 -7.098 2.502 -7.501 1.00 0.28 C ATOM 1481 CD GLU B 35 -8.018 3.409 -8.295 1.00 0.51 C ATOM 1482 OE1 GLU B 35 -8.950 3.984 -7.698 1.00 1.12 O ATOM 1483 OE2 GLU B 35 -7.790 3.579 -9.517 1.00 1.33 O ATOM 0 H GLU B 35 -7.988 1.542 -3.640 1.00 0.13 H new ATOM 0 HA GLU B 35 -6.317 0.453 -5.804 1.00 0.14 H new ATOM 0 HB2 GLU B 35 -8.537 1.408 -6.348 1.00 0.19 H new ATOM 0 HB3 GLU B 35 -8.063 2.937 -5.636 1.00 0.19 H new ATOM 0 HG2 GLU B 35 -6.156 3.020 -7.322 1.00 0.28 H new ATOM 0 HG3 GLU B 35 -6.868 1.619 -8.097 1.00 0.28 H new ATOM 1490 N PHE B 36 -4.408 2.112 -5.679 1.00 0.15 N ATOM 1491 CA PHE B 36 -3.227 2.910 -5.356 1.00 0.17 C ATOM 1492 C PHE B 36 -2.819 3.888 -6.460 1.00 0.22 C ATOM 1493 O PHE B 36 -3.123 3.717 -7.643 1.00 0.28 O ATOM 1494 CB PHE B 36 -2.027 2.040 -4.950 1.00 0.22 C ATOM 1495 CG PHE B 36 -2.209 0.566 -5.139 1.00 0.19 C ATOM 1496 CD1 PHE B 36 -3.006 -0.162 -4.269 1.00 1.21 C ATOM 1497 CD2 PHE B 36 -1.567 -0.096 -6.167 1.00 1.21 C ATOM 1498 CE1 PHE B 36 -3.159 -1.523 -4.427 1.00 1.27 C ATOM 1499 CE2 PHE B 36 -1.713 -1.458 -6.325 1.00 1.21 C ATOM 1500 CZ PHE B 36 -2.511 -2.170 -5.457 1.00 0.43 C ATOM 0 H PHE B 36 -4.304 1.475 -6.469 1.00 0.15 H new ATOM 0 HA PHE B 36 -3.530 3.509 -4.497 1.00 0.17 H new ATOM 0 HB2 PHE B 36 -1.158 2.358 -5.526 1.00 0.22 H new ATOM 0 HB3 PHE B 36 -1.801 2.229 -3.901 1.00 0.22 H new ATOM 0 HD1 PHE B 36 -3.512 0.342 -3.459 1.00 1.21 H new ATOM 0 HD2 PHE B 36 -0.945 0.458 -6.854 1.00 1.21 H new ATOM 0 HE1 PHE B 36 -3.785 -2.080 -3.746 1.00 1.27 H new ATOM 0 HE2 PHE B 36 -1.202 -1.966 -7.129 1.00 1.21 H new ATOM 0 HZ PHE B 36 -2.629 -3.236 -5.584 1.00 0.43 H new ATOM 1510 N PHE B 37 -2.125 4.922 -6.008 1.00 0.22 N ATOM 1511 CA PHE B 37 -1.623 6.018 -6.823 1.00 0.30 C ATOM 1512 C PHE B 37 -0.121 6.030 -6.673 1.00 0.25 C ATOM 1513 O PHE B 37 0.399 5.504 -5.697 1.00 0.45 O ATOM 1514 CB PHE B 37 -2.223 7.322 -6.271 1.00 0.48 C ATOM 1515 CG PHE B 37 -2.062 8.568 -7.101 1.00 0.65 C ATOM 1516 CD1 PHE B 37 -0.922 9.352 -6.998 1.00 1.67 C ATOM 1517 CD2 PHE B 37 -3.081 8.986 -7.945 1.00 1.24 C ATOM 1518 CE1 PHE B 37 -0.801 10.524 -7.726 1.00 2.10 C ATOM 1519 CE2 PHE B 37 -2.962 10.151 -8.678 1.00 1.64 C ATOM 1520 CZ PHE B 37 -1.821 10.923 -8.567 1.00 1.80 C ATOM 0 H PHE B 37 -1.886 5.024 -5.022 1.00 0.22 H new ATOM 0 HA PHE B 37 -1.891 5.912 -7.874 1.00 0.30 H new ATOM 0 HB2 PHE B 37 -3.289 7.160 -6.111 1.00 0.48 H new ATOM 0 HB3 PHE B 37 -1.778 7.509 -5.294 1.00 0.48 H new ATOM 0 HD1 PHE B 37 -0.120 9.045 -6.343 1.00 1.67 H new ATOM 0 HD2 PHE B 37 -3.979 8.393 -8.030 1.00 1.24 H new ATOM 0 HE1 PHE B 37 0.091 11.126 -7.636 1.00 2.10 H new ATOM 0 HE2 PHE B 37 -3.760 10.458 -9.337 1.00 1.64 H new ATOM 0 HZ PHE B 37 -1.727 11.836 -9.136 1.00 1.80 H new ATOM 1530 N VAL B 38 0.573 6.596 -7.620 1.00 0.24 N ATOM 1531 CA VAL B 38 2.010 6.734 -7.485 1.00 0.19 C ATOM 1532 C VAL B 38 2.417 8.179 -7.723 1.00 0.20 C ATOM 1533 O VAL B 38 1.934 8.835 -8.649 1.00 0.24 O ATOM 1534 CB VAL B 38 2.790 5.791 -8.426 1.00 0.23 C ATOM 1535 CG1 VAL B 38 2.460 6.058 -9.888 1.00 0.30 C ATOM 1536 CG2 VAL B 38 4.287 5.911 -8.173 1.00 0.25 C ATOM 0 H VAL B 38 0.181 6.967 -8.486 1.00 0.24 H new ATOM 0 HA VAL B 38 2.268 6.444 -6.467 1.00 0.19 H new ATOM 0 HB VAL B 38 2.482 4.769 -8.208 1.00 0.23 H new ATOM 0 HG11 VAL B 38 3.028 5.375 -10.520 1.00 0.30 H new ATOM 0 HG12 VAL B 38 1.394 5.904 -10.054 1.00 0.30 H new ATOM 0 HG13 VAL B 38 2.722 7.086 -10.138 1.00 0.30 H new ATOM 0 HG21 VAL B 38 4.824 5.240 -8.844 1.00 0.25 H new ATOM 0 HG22 VAL B 38 4.606 6.937 -8.354 1.00 0.25 H new ATOM 0 HG23 VAL B 38 4.504 5.641 -7.140 1.00 0.25 H new ATOM 1546 N ASP B 39 3.291 8.671 -6.874 1.00 0.20 N ATOM 1547 CA ASP B 39 3.730 10.052 -6.941 1.00 0.26 C ATOM 1548 C ASP B 39 5.239 10.118 -6.853 1.00 0.29 C ATOM 1549 O ASP B 39 5.806 10.075 -5.758 1.00 0.29 O ATOM 1550 CB ASP B 39 3.103 10.886 -5.825 1.00 0.31 C ATOM 1551 CG ASP B 39 3.647 12.302 -5.795 1.00 0.42 C ATOM 1552 OD1 ASP B 39 3.224 13.120 -6.637 1.00 1.18 O ATOM 1553 OD2 ASP B 39 4.502 12.596 -4.931 1.00 1.17 O ATOM 0 H ASP B 39 3.717 8.131 -6.121 1.00 0.20 H new ATOM 0 HA ASP B 39 3.405 10.466 -7.895 1.00 0.26 H new ATOM 0 HB2 ASP B 39 2.022 10.916 -5.960 1.00 0.31 H new ATOM 0 HB3 ASP B 39 3.291 10.406 -4.865 1.00 0.31 H new ATOM 1558 N GLY B 40 5.880 10.183 -8.012 1.00 0.35 N ATOM 1559 CA GLY B 40 7.326 10.207 -8.071 1.00 0.39 C ATOM 1560 C GLY B 40 7.924 8.880 -7.656 1.00 0.34 C ATOM 1561 O GLY B 40 8.360 8.092 -8.494 1.00 0.42 O ATOM 0 H GLY B 40 5.418 10.220 -8.920 1.00 0.35 H new ATOM 0 HA2 GLY B 40 7.645 10.449 -9.085 1.00 0.39 H new ATOM 0 HA3 GLY B 40 7.704 10.996 -7.421 1.00 0.39 H new ATOM 1565 N ASP B 41 7.922 8.634 -6.360 1.00 0.28 N ATOM 1566 CA ASP B 41 8.453 7.403 -5.802 1.00 0.28 C ATOM 1567 C ASP B 41 7.397 6.731 -4.940 1.00 0.23 C ATOM 1568 O ASP B 41 7.347 5.512 -4.823 1.00 0.29 O ATOM 1569 CB ASP B 41 9.673 7.701 -4.930 1.00 0.37 C ATOM 1570 CG ASP B 41 10.725 8.525 -5.639 1.00 1.17 C ATOM 1571 OD1 ASP B 41 10.643 9.772 -5.591 1.00 1.84 O ATOM 1572 OD2 ASP B 41 11.642 7.939 -6.247 1.00 1.91 O ATOM 0 H ASP B 41 7.553 9.281 -5.663 1.00 0.28 H new ATOM 0 HA ASP B 41 8.740 6.747 -6.624 1.00 0.28 H new ATOM 0 HB2 ASP B 41 9.350 8.230 -4.033 1.00 0.37 H new ATOM 0 HB3 ASP B 41 10.117 6.760 -4.603 1.00 0.37 H new ATOM 1577 N LYS B 42 6.531 7.552 -4.372 1.00 0.20 N ATOM 1578 CA LYS B 42 5.636 7.129 -3.313 1.00 0.21 C ATOM 1579 C LYS B 42 4.358 6.512 -3.866 1.00 0.16 C ATOM 1580 O LYS B 42 3.970 6.775 -5.004 1.00 0.14 O ATOM 1581 CB LYS B 42 5.310 8.346 -2.446 1.00 0.27 C ATOM 1582 CG LYS B 42 3.864 8.418 -2.002 1.00 0.33 C ATOM 1583 CD LYS B 42 3.529 9.756 -1.375 1.00 0.36 C ATOM 1584 CE LYS B 42 3.647 10.897 -2.380 1.00 0.63 C ATOM 1585 NZ LYS B 42 5.007 11.505 -2.416 1.00 0.78 N ATOM 0 H LYS B 42 6.430 8.533 -4.634 1.00 0.20 H new ATOM 0 HA LYS B 42 6.127 6.359 -2.718 1.00 0.21 H new ATOM 0 HB2 LYS B 42 5.950 8.332 -1.564 1.00 0.27 H new ATOM 0 HB3 LYS B 42 5.554 9.251 -3.002 1.00 0.27 H new ATOM 0 HG2 LYS B 42 3.213 8.246 -2.859 1.00 0.33 H new ATOM 0 HG3 LYS B 42 3.665 7.622 -1.285 1.00 0.33 H new ATOM 0 HD2 LYS B 42 2.515 9.727 -0.976 1.00 0.36 H new ATOM 0 HD3 LYS B 42 4.198 9.941 -0.534 1.00 0.36 H new ATOM 0 HE2 LYS B 42 3.395 10.526 -3.373 1.00 0.63 H new ATOM 0 HE3 LYS B 42 2.917 11.668 -2.133 1.00 0.63 H new ATOM 0 HZ1 LYS B 42 5.274 11.701 -3.402 1.00 0.78 H new ATOM 0 HZ2 LYS B 42 5.005 12.393 -1.875 1.00 0.78 H new ATOM 0 HZ3 LYS B 42 5.693 10.846 -1.996 1.00 0.78 H new ATOM 1599 N ILE B 43 3.701 5.713 -3.037 1.00 0.17 N ATOM 1600 CA ILE B 43 2.450 5.083 -3.414 1.00 0.16 C ATOM 1601 C ILE B 43 1.328 5.553 -2.484 1.00 0.18 C ATOM 1602 O ILE B 43 1.550 5.767 -1.293 1.00 0.21 O ATOM 1603 CB ILE B 43 2.573 3.548 -3.350 1.00 0.16 C ATOM 1604 CG1 ILE B 43 3.785 3.088 -4.165 1.00 0.18 C ATOM 1605 CG2 ILE B 43 1.303 2.884 -3.857 1.00 0.15 C ATOM 1606 CD1 ILE B 43 3.603 3.221 -5.665 1.00 0.22 C ATOM 0 H ILE B 43 4.018 5.487 -2.094 1.00 0.17 H new ATOM 0 HA ILE B 43 2.214 5.370 -4.439 1.00 0.16 H new ATOM 0 HB ILE B 43 2.715 3.252 -2.311 1.00 0.16 H new ATOM 0 HG12 ILE B 43 4.656 3.669 -3.862 1.00 0.18 H new ATOM 0 HG13 ILE B 43 3.997 2.046 -3.926 1.00 0.18 H new ATOM 0 HG21 ILE B 43 1.412 1.801 -3.803 1.00 0.15 H new ATOM 0 HG22 ILE B 43 0.459 3.195 -3.241 1.00 0.15 H new ATOM 0 HG23 ILE B 43 1.126 3.180 -4.891 1.00 0.15 H new ATOM 0 HD11 ILE B 43 4.503 2.875 -6.173 1.00 0.22 H new ATOM 0 HD12 ILE B 43 2.753 2.618 -5.983 1.00 0.22 H new ATOM 0 HD13 ILE B 43 3.422 4.266 -5.918 1.00 0.22 H new ATOM 1618 N ILE B 44 0.130 5.712 -3.035 1.00 0.16 N ATOM 1619 CA ILE B 44 -0.999 6.283 -2.301 1.00 0.19 C ATOM 1620 C ILE B 44 -2.230 5.383 -2.405 1.00 0.20 C ATOM 1621 O ILE B 44 -2.789 5.222 -3.483 1.00 0.26 O ATOM 1622 CB ILE B 44 -1.357 7.676 -2.856 1.00 0.21 C ATOM 1623 CG1 ILE B 44 -0.112 8.563 -2.899 1.00 0.22 C ATOM 1624 CG2 ILE B 44 -2.455 8.321 -2.019 1.00 0.30 C ATOM 1625 CD1 ILE B 44 -0.357 9.939 -3.480 1.00 0.25 C ATOM 0 H ILE B 44 -0.088 5.451 -3.997 1.00 0.16 H new ATOM 0 HA ILE B 44 -0.700 6.368 -1.256 1.00 0.19 H new ATOM 0 HB ILE B 44 -1.733 7.561 -3.873 1.00 0.21 H new ATOM 0 HG12 ILE B 44 0.280 8.671 -1.888 1.00 0.22 H new ATOM 0 HG13 ILE B 44 0.658 8.063 -3.487 1.00 0.22 H new ATOM 0 HG21 ILE B 44 -2.694 9.303 -2.427 1.00 0.30 H new ATOM 0 HG22 ILE B 44 -3.346 7.693 -2.041 1.00 0.30 H new ATOM 0 HG23 ILE B 44 -2.112 8.429 -0.990 1.00 0.30 H new ATOM 0 HD11 ILE B 44 0.574 10.507 -3.476 1.00 0.25 H new ATOM 0 HD12 ILE B 44 -0.719 9.843 -4.504 1.00 0.25 H new ATOM 0 HD13 ILE B 44 -1.103 10.460 -2.879 1.00 0.25 H new ATOM 1637 N LEU B 45 -2.658 4.817 -1.289 1.00 0.18 N ATOM 1638 CA LEU B 45 -3.750 3.845 -1.299 1.00 0.19 C ATOM 1639 C LEU B 45 -5.059 4.452 -0.788 1.00 0.20 C ATOM 1640 O LEU B 45 -5.054 5.248 0.156 1.00 0.25 O ATOM 1641 CB LEU B 45 -3.376 2.616 -0.461 1.00 0.20 C ATOM 1642 CG LEU B 45 -2.427 1.613 -1.134 1.00 0.19 C ATOM 1643 CD1 LEU B 45 -1.064 2.226 -1.399 1.00 0.19 C ATOM 1644 CD2 LEU B 45 -2.282 0.365 -0.283 1.00 0.24 C ATOM 0 H LEU B 45 -2.271 5.010 -0.365 1.00 0.18 H new ATOM 0 HA LEU B 45 -3.908 3.542 -2.334 1.00 0.19 H new ATOM 0 HB2 LEU B 45 -2.915 2.958 0.466 1.00 0.20 H new ATOM 0 HB3 LEU B 45 -4.293 2.093 -0.188 1.00 0.20 H new ATOM 0 HG LEU B 45 -2.865 1.340 -2.094 1.00 0.19 H new ATOM 0 HD11 LEU B 45 -0.419 1.488 -1.876 1.00 0.19 H new ATOM 0 HD12 LEU B 45 -1.175 3.089 -2.056 1.00 0.19 H new ATOM 0 HD13 LEU B 45 -0.618 2.542 -0.456 1.00 0.19 H new ATOM 0 HD21 LEU B 45 -1.606 -0.334 -0.775 1.00 0.24 H new ATOM 0 HD22 LEU B 45 -1.878 0.635 0.693 1.00 0.24 H new ATOM 0 HD23 LEU B 45 -3.258 -0.103 -0.154 1.00 0.24 H new ATOM 1656 N LYS B 46 -6.172 4.072 -1.431 1.00 0.19 N ATOM 1657 CA LYS B 46 -7.508 4.542 -1.050 1.00 0.24 C ATOM 1658 C LYS B 46 -8.566 3.497 -1.420 1.00 0.20 C ATOM 1659 O LYS B 46 -8.384 2.729 -2.365 1.00 0.30 O ATOM 1660 CB LYS B 46 -7.817 5.881 -1.747 1.00 0.38 C ATOM 1661 CG LYS B 46 -8.082 5.760 -3.244 1.00 0.99 C ATOM 1662 CD LYS B 46 -9.574 5.792 -3.554 1.00 1.11 C ATOM 1663 CE LYS B 46 -9.892 5.198 -4.919 1.00 1.14 C ATOM 1664 NZ LYS B 46 -9.301 5.979 -6.037 1.00 1.85 N ATOM 0 H LYS B 46 -6.170 3.433 -2.226 1.00 0.19 H new ATOM 0 HA LYS B 46 -7.531 4.693 0.029 1.00 0.24 H new ATOM 0 HB2 LYS B 46 -8.687 6.333 -1.271 1.00 0.38 H new ATOM 0 HB3 LYS B 46 -6.979 6.561 -1.591 1.00 0.38 H new ATOM 0 HG2 LYS B 46 -7.583 6.574 -3.769 1.00 0.99 H new ATOM 0 HG3 LYS B 46 -7.652 4.830 -3.616 1.00 0.99 H new ATOM 0 HD2 LYS B 46 -10.115 5.240 -2.785 1.00 1.11 H new ATOM 0 HD3 LYS B 46 -9.929 6.822 -3.517 1.00 1.11 H new ATOM 0 HE2 LYS B 46 -9.520 4.174 -4.960 1.00 1.14 H new ATOM 0 HE3 LYS B 46 -10.973 5.150 -5.047 1.00 1.14 H new ATOM 0 HZ1 LYS B 46 -8.890 5.328 -6.736 1.00 1.85 H new ATOM 0 HZ2 LYS B 46 -10.042 6.552 -6.490 1.00 1.85 H new ATOM 0 HZ3 LYS B 46 -8.557 6.605 -5.668 1.00 1.85 H new ATOM 1678 N LYS B 47 -9.667 3.465 -0.677 1.00 0.22 N ATOM 1679 CA LYS B 47 -10.772 2.555 -0.991 1.00 0.22 C ATOM 1680 C LYS B 47 -11.583 3.125 -2.151 1.00 0.25 C ATOM 1681 O LYS B 47 -11.870 4.322 -2.191 1.00 0.41 O ATOM 1682 CB LYS B 47 -11.666 2.334 0.241 1.00 0.26 C ATOM 1683 CG LYS B 47 -12.356 0.966 0.295 1.00 0.28 C ATOM 1684 CD LYS B 47 -13.594 0.893 -0.581 1.00 0.44 C ATOM 1685 CE LYS B 47 -14.368 -0.399 -0.355 1.00 0.51 C ATOM 1686 NZ LYS B 47 -14.991 -0.457 0.998 1.00 0.43 N ATOM 0 H LYS B 47 -9.822 4.053 0.142 1.00 0.22 H new ATOM 0 HA LYS B 47 -10.364 1.587 -1.281 1.00 0.22 H new ATOM 0 HB2 LYS B 47 -11.060 2.456 1.139 1.00 0.26 H new ATOM 0 HB3 LYS B 47 -12.429 3.112 0.263 1.00 0.26 H new ATOM 0 HG2 LYS B 47 -11.650 0.196 -0.017 1.00 0.28 H new ATOM 0 HG3 LYS B 47 -12.633 0.745 1.326 1.00 0.28 H new ATOM 0 HD2 LYS B 47 -14.240 1.746 -0.371 1.00 0.44 H new ATOM 0 HD3 LYS B 47 -13.303 0.964 -1.629 1.00 0.44 H new ATOM 0 HE2 LYS B 47 -15.145 -0.492 -1.114 1.00 0.51 H new ATOM 0 HE3 LYS B 47 -13.697 -1.249 -0.480 1.00 0.51 H new ATOM 0 HZ1 LYS B 47 -15.548 -1.331 1.086 1.00 0.43 H new ATOM 0 HZ2 LYS B 47 -14.246 -0.446 1.724 1.00 0.43 H new ATOM 0 HZ3 LYS B 47 -15.614 0.366 1.129 1.00 0.43 H new ATOM 1700 N TYR B 48 -11.957 2.255 -3.077 1.00 0.22 N ATOM 1701 CA TYR B 48 -12.540 2.660 -4.352 1.00 0.23 C ATOM 1702 C TYR B 48 -13.906 3.328 -4.164 1.00 0.25 C ATOM 1703 O TYR B 48 -14.101 4.493 -4.522 1.00 0.29 O ATOM 1704 CB TYR B 48 -12.671 1.411 -5.232 1.00 0.27 C ATOM 1705 CG TYR B 48 -12.775 1.674 -6.720 1.00 0.34 C ATOM 1706 CD1 TYR B 48 -11.636 1.919 -7.474 1.00 1.12 C ATOM 1707 CD2 TYR B 48 -14.002 1.644 -7.373 1.00 0.96 C ATOM 1708 CE1 TYR B 48 -11.716 2.134 -8.836 1.00 1.17 C ATOM 1709 CE2 TYR B 48 -14.088 1.852 -8.738 1.00 1.03 C ATOM 1710 CZ TYR B 48 -12.942 2.097 -9.465 1.00 0.59 C ATOM 1711 OH TYR B 48 -13.018 2.299 -10.828 1.00 0.74 O ATOM 0 H TYR B 48 -11.865 1.245 -2.967 1.00 0.22 H new ATOM 0 HA TYR B 48 -11.892 3.397 -4.826 1.00 0.23 H new ATOM 0 HB2 TYR B 48 -11.809 0.769 -5.053 1.00 0.27 H new ATOM 0 HB3 TYR B 48 -13.554 0.855 -4.916 1.00 0.27 H new ATOM 0 HD1 TYR B 48 -10.672 1.942 -6.988 1.00 1.12 H new ATOM 0 HD2 TYR B 48 -14.902 1.455 -6.806 1.00 0.96 H new ATOM 0 HE1 TYR B 48 -10.820 2.331 -9.407 1.00 1.17 H new ATOM 0 HE2 TYR B 48 -15.048 1.823 -9.232 1.00 1.03 H new ATOM 0 HH TYR B 48 -13.953 2.240 -11.116 1.00 0.74 H new ATOM 1721 N LYS B 49 -14.820 2.584 -3.560 1.00 0.32 N ATOM 1722 CA LYS B 49 -16.236 2.949 -3.500 1.00 0.46 C ATOM 1723 C LYS B 49 -16.535 4.292 -2.799 1.00 0.54 C ATOM 1724 O LYS B 49 -17.163 5.157 -3.405 1.00 0.61 O ATOM 1725 CB LYS B 49 -17.020 1.823 -2.825 1.00 0.61 C ATOM 1726 CG LYS B 49 -18.528 1.955 -2.976 1.00 0.97 C ATOM 1727 CD LYS B 49 -18.940 1.995 -4.439 1.00 2.15 C ATOM 1728 CE LYS B 49 -18.538 0.722 -5.168 1.00 2.61 C ATOM 1729 NZ LYS B 49 -18.835 0.800 -6.620 1.00 2.92 N ATOM 0 H LYS B 49 -14.603 1.703 -3.093 1.00 0.32 H new ATOM 0 HA LYS B 49 -16.552 3.089 -4.534 1.00 0.46 H new ATOM 0 HB2 LYS B 49 -16.703 0.869 -3.245 1.00 0.61 H new ATOM 0 HB3 LYS B 49 -16.770 1.803 -1.764 1.00 0.61 H new ATOM 0 HG2 LYS B 49 -19.019 1.117 -2.481 1.00 0.97 H new ATOM 0 HG3 LYS B 49 -18.867 2.863 -2.477 1.00 0.97 H new ATOM 0 HD2 LYS B 49 -20.019 2.131 -4.510 1.00 2.15 H new ATOM 0 HD3 LYS B 49 -18.478 2.855 -4.925 1.00 2.15 H new ATOM 0 HE2 LYS B 49 -17.473 0.542 -5.024 1.00 2.61 H new ATOM 0 HE3 LYS B 49 -19.066 -0.127 -4.734 1.00 2.61 H new ATOM 0 HZ1 LYS B 49 -18.547 -0.086 -7.081 1.00 2.92 H new ATOM 0 HZ2 LYS B 49 -19.855 0.946 -6.758 1.00 2.92 H new ATOM 0 HZ3 LYS B 49 -18.311 1.595 -7.039 1.00 2.92 H new ATOM 1743 N PRO B 50 -16.112 4.501 -1.526 1.00 0.60 N ATOM 1744 CA PRO B 50 -16.555 5.655 -0.717 1.00 0.82 C ATOM 1745 C PRO B 50 -15.968 6.996 -1.158 1.00 0.82 C ATOM 1746 O PRO B 50 -16.019 7.975 -0.413 1.00 1.57 O ATOM 1747 CB PRO B 50 -16.072 5.321 0.703 1.00 1.06 C ATOM 1748 CG PRO B 50 -15.634 3.900 0.653 1.00 0.89 C ATOM 1749 CD PRO B 50 -15.194 3.656 -0.759 1.00 0.53 C ATOM 0 HA PRO B 50 -17.633 5.786 -0.812 1.00 0.82 H new ATOM 0 HB2 PRO B 50 -15.252 5.974 1.002 1.00 1.06 H new ATOM 0 HB3 PRO B 50 -16.871 5.459 1.431 1.00 1.06 H new ATOM 0 HG2 PRO B 50 -14.819 3.718 1.353 1.00 0.89 H new ATOM 0 HG3 PRO B 50 -16.448 3.230 0.930 1.00 0.89 H new ATOM 0 HD2 PRO B 50 -14.154 3.941 -0.915 1.00 0.53 H new ATOM 0 HD3 PRO B 50 -15.282 2.605 -1.036 1.00 0.53 H new ATOM 1757 N HIS B 51 -15.409 7.045 -2.356 1.00 0.97 N ATOM 1758 CA HIS B 51 -14.871 8.288 -2.895 1.00 1.13 C ATOM 1759 C HIS B 51 -15.154 8.378 -4.388 1.00 1.69 C ATOM 1760 O HIS B 51 -15.743 9.352 -4.852 1.00 2.46 O ATOM 1761 CB HIS B 51 -13.358 8.400 -2.645 1.00 2.12 C ATOM 1762 CG HIS B 51 -12.988 8.585 -1.202 1.00 2.92 C ATOM 1763 ND1 HIS B 51 -12.920 9.817 -0.594 1.00 3.83 N ATOM 1764 CD2 HIS B 51 -12.668 7.681 -0.246 1.00 3.53 C ATOM 1765 CE1 HIS B 51 -12.579 9.665 0.671 1.00 4.68 C ATOM 1766 NE2 HIS B 51 -12.420 8.377 0.909 1.00 4.55 N ATOM 0 H HIS B 51 -15.315 6.240 -2.975 1.00 0.97 H new ATOM 0 HA HIS B 51 -15.363 9.114 -2.381 1.00 1.13 H new ATOM 0 HB2 HIS B 51 -12.871 7.501 -3.022 1.00 2.12 H new ATOM 0 HB3 HIS B 51 -12.967 9.239 -3.220 1.00 2.12 H new ATOM 0 HD2 HIS B 51 -12.617 6.609 -0.370 1.00 3.53 H new ATOM 0 HE1 HIS B 51 -12.451 10.460 1.390 1.00 4.68 H new ATOM 0 HE2 HIS B 51 -12.156 7.967 1.805 1.00 4.55 H new ATOM 1775 N GLY B 52 -14.750 7.344 -5.124 1.00 2.10 N ATOM 1776 CA GLY B 52 -14.919 7.339 -6.567 1.00 3.10 C ATOM 1777 C GLY B 52 -14.262 8.530 -7.223 1.00 2.89 C ATOM 1778 O GLY B 52 -14.929 9.410 -7.770 1.00 3.12 O ATOM 0 H GLY B 52 -14.307 6.507 -4.744 1.00 2.10 H new ATOM 0 HA2 GLY B 52 -14.497 6.422 -6.977 1.00 3.10 H new ATOM 0 HA3 GLY B 52 -15.982 7.335 -6.806 1.00 3.10 H new ATOM 1782 N VAL B 53 -12.947 8.544 -7.167 1.00 2.81 N ATOM 1783 CA VAL B 53 -12.160 9.651 -7.682 1.00 2.74 C ATOM 1784 C VAL B 53 -10.710 9.216 -7.856 1.00 2.07 C ATOM 1785 O VAL B 53 -10.223 8.349 -7.122 1.00 1.96 O ATOM 1786 CB VAL B 53 -12.240 10.889 -6.751 1.00 3.42 C ATOM 1787 CG1 VAL B 53 -11.612 10.603 -5.392 1.00 3.57 C ATOM 1788 CG2 VAL B 53 -11.595 12.104 -7.402 1.00 3.62 C ATOM 0 H VAL B 53 -12.391 7.790 -6.764 1.00 2.81 H new ATOM 0 HA VAL B 53 -12.572 9.938 -8.649 1.00 2.74 H new ATOM 0 HB VAL B 53 -13.295 11.112 -6.589 1.00 3.42 H new ATOM 0 HG11 VAL B 53 -11.685 11.491 -4.764 1.00 3.57 H new ATOM 0 HG12 VAL B 53 -12.138 9.776 -4.915 1.00 3.57 H new ATOM 0 HG13 VAL B 53 -10.563 10.337 -5.525 1.00 3.57 H new ATOM 0 HG21 VAL B 53 -11.665 12.958 -6.728 1.00 3.62 H new ATOM 0 HG22 VAL B 53 -10.547 11.891 -7.611 1.00 3.62 H new ATOM 0 HG23 VAL B 53 -12.111 12.334 -8.334 1.00 3.62 H new ATOM 1798 N CYS B 54 -10.047 9.786 -8.849 1.00 1.96 N ATOM 1799 CA CYS B 54 -8.664 9.449 -9.147 1.00 1.58 C ATOM 1800 C CYS B 54 -7.748 9.901 -8.011 1.00 2.13 C ATOM 1801 O CYS B 54 -7.463 11.111 -7.913 1.00 2.76 O ATOM 1802 CB CYS B 54 -8.244 10.098 -10.465 1.00 1.96 C ATOM 1803 SG CYS B 54 -9.391 9.777 -11.825 1.00 2.82 S ATOM 1804 OXT CYS B 54 -7.332 9.041 -7.209 1.00 2.59 O ATOM 0 H CYS B 54 -10.449 10.491 -9.468 1.00 1.96 H new ATOM 0 HA CYS B 54 -8.577 8.367 -9.245 1.00 1.58 H new ATOM 0 HB2 CYS B 54 -8.158 11.175 -10.319 1.00 1.96 H new ATOM 0 HB3 CYS B 54 -7.255 9.734 -10.741 1.00 1.96 H new ATOM 0 HG CYS B 54 -8.939 8.798 -12.552 1.00 2.82 H new TER 1810 CYS B 54