USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=25 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 150:sc= 0 (180deg=-0.0232) USER MOD Set 1.2: B 48 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 48 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: B 1 MET CE :methyl 163:sc= 0 (180deg=0) USER MOD Set 3.1: A 18 MET CE :methyl -149:sc= -5.06! (180deg=-7.23!) USER MOD Set 3.2: B 18 MET CE :methyl 175:sc= -2.23 (180deg=-2.29) USER MOD Single : A 1 MET N :NH3+ -160:sc= 1.16 (180deg=0.854) USER MOD Single : A 2 LYS NZ :NH3+ 153:sc= 0.479! (180deg=-1.82!) USER MOD Single : A 3 SER OG : rot 82:sc= 1.56 USER MOD Single : A 9 LYS NZ :NH3+ 169:sc= -0.0127 (180deg=-0.187) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= -0.318 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -169:sc= 1.72 (180deg=1.59) USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= 2.42 (180deg=2.26) USER MOD Single : A 49 LYS NZ :NH3+ -155:sc= -0.17 (180deg=-0.845) USER MOD Single : A 51 HIS : no HD1:sc= -0.0229 X(o=-0.023,f=-0.003) USER MOD Single : A 54 CYS SG : rot 180:sc= -0.0232 USER MOD Single : B 1 MET N :NH3+ -160:sc= 1.17 (180deg=0.736) USER MOD Single : B 2 LYS NZ :NH3+ 148:sc= 0.805 (180deg=-0.268) USER MOD Single : B 3 SER OG : rot 87:sc= 1.38 USER MOD Single : B 9 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0271) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 SER OG : rot -17:sc= 0.75 USER MOD Single : B 42 LYS NZ :NH3+ -123:sc= 0.787 (180deg=-0.571) USER MOD Single : B 46 LYS NZ :NH3+ -126:sc= 1.37 (180deg=-0.218) USER MOD Single : B 47 LYS NZ :NH3+ 144:sc= 1.06 (180deg=-2.16) USER MOD Single : B 49 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0971) USER MOD Single : B 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 54 CYS SG : rot 49:sc= -0.339 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.618 4.221 -11.796 1.00 2.39 N ATOM 2 CA MET A 1 -8.988 5.654 -11.894 1.00 1.49 C ATOM 3 C MET A 1 -7.788 6.547 -11.594 1.00 1.24 C ATOM 4 O MET A 1 -7.665 7.641 -12.145 1.00 1.91 O ATOM 5 CB MET A 1 -10.124 5.984 -10.922 1.00 2.01 C ATOM 6 CG MET A 1 -11.435 5.289 -11.250 1.00 2.70 C ATOM 7 SD MET A 1 -12.747 5.696 -10.080 1.00 3.90 S ATOM 8 CE MET A 1 -14.123 4.792 -10.788 1.00 4.80 C ATOM 0 H1 MET A 1 -9.312 3.647 -12.315 1.00 2.39 H new ATOM 0 H2 MET A 1 -7.673 4.077 -12.207 1.00 2.39 H new ATOM 0 H3 MET A 1 -8.608 3.933 -10.797 1.00 2.39 H new ATOM 0 HA MET A 1 -9.322 5.842 -12.914 1.00 1.49 H new ATOM 0 HB2 MET A 1 -9.819 5.706 -9.913 1.00 2.01 H new ATOM 0 HB3 MET A 1 -10.286 7.062 -10.920 1.00 2.01 H new ATOM 0 HG2 MET A 1 -11.749 5.570 -12.255 1.00 2.70 H new ATOM 0 HG3 MET A 1 -11.279 4.210 -11.255 1.00 2.70 H new ATOM 0 HE1 MET A 1 -14.806 4.488 -9.994 1.00 4.80 H new ATOM 0 HE2 MET A 1 -14.651 5.430 -11.497 1.00 4.80 H new ATOM 0 HE3 MET A 1 -13.750 3.907 -11.304 1.00 4.80 H new ATOM 20 N LYS A 2 -6.905 6.078 -10.718 1.00 0.91 N ATOM 21 CA LYS A 2 -5.740 6.857 -10.317 1.00 0.58 C ATOM 22 C LYS A 2 -4.535 6.593 -11.218 1.00 0.56 C ATOM 23 O LYS A 2 -4.656 5.914 -12.239 1.00 0.81 O ATOM 24 CB LYS A 2 -5.397 6.558 -8.858 1.00 0.74 C ATOM 25 CG LYS A 2 -6.512 6.956 -7.908 1.00 0.82 C ATOM 26 CD LYS A 2 -6.058 6.980 -6.461 1.00 0.85 C ATOM 27 CE LYS A 2 -5.772 5.588 -5.938 1.00 1.75 C ATOM 28 NZ LYS A 2 -5.345 5.614 -4.515 1.00 2.48 N ATOM 0 H LYS A 2 -6.974 5.163 -10.273 1.00 0.91 H new ATOM 0 HA LYS A 2 -5.990 7.913 -10.422 1.00 0.58 H new ATOM 0 HB2 LYS A 2 -5.191 5.493 -8.747 1.00 0.74 H new ATOM 0 HB3 LYS A 2 -4.485 7.089 -8.586 1.00 0.74 H new ATOM 0 HG2 LYS A 2 -6.887 7.941 -8.185 1.00 0.82 H new ATOM 0 HG3 LYS A 2 -7.342 6.258 -8.014 1.00 0.82 H new ATOM 0 HD2 LYS A 2 -5.161 7.593 -6.372 1.00 0.85 H new ATOM 0 HD3 LYS A 2 -6.827 7.448 -5.847 1.00 0.85 H new ATOM 0 HE2 LYS A 2 -6.664 4.970 -6.039 1.00 1.75 H new ATOM 0 HE3 LYS A 2 -4.993 5.124 -6.544 1.00 1.75 H new ATOM 0 HZ1 LYS A 2 -5.592 4.711 -4.062 1.00 2.48 H new ATOM 0 HZ2 LYS A 2 -4.316 5.757 -4.464 1.00 2.48 H new ATOM 0 HZ3 LYS A 2 -5.828 6.392 -4.022 1.00 2.48 H new ATOM 42 N SER A 3 -3.383 7.150 -10.826 1.00 0.41 N ATOM 43 CA SER A 3 -2.121 7.003 -11.562 1.00 0.39 C ATOM 44 C SER A 3 -1.880 5.565 -11.999 1.00 0.37 C ATOM 45 O SER A 3 -1.711 5.283 -13.184 1.00 0.48 O ATOM 46 CB SER A 3 -0.967 7.454 -10.674 1.00 0.37 C ATOM 47 OG SER A 3 -1.173 8.769 -10.211 1.00 1.00 O ATOM 0 H SER A 3 -3.299 7.719 -9.984 1.00 0.41 H new ATOM 0 HA SER A 3 -2.184 7.620 -12.458 1.00 0.39 H new ATOM 0 HB2 SER A 3 -0.869 6.777 -9.826 1.00 0.37 H new ATOM 0 HB3 SER A 3 -0.032 7.403 -11.232 1.00 0.37 H new ATOM 0 HG SER A 3 -1.766 8.752 -9.431 1.00 1.00 H new ATOM 53 N ILE A 4 -1.856 4.660 -11.035 1.00 0.29 N ATOM 54 CA ILE A 4 -1.675 3.255 -11.336 1.00 0.27 C ATOM 55 C ILE A 4 -3.024 2.681 -11.729 1.00 0.29 C ATOM 56 O ILE A 4 -3.127 1.820 -12.602 1.00 0.34 O ATOM 57 CB ILE A 4 -1.102 2.471 -10.134 1.00 0.25 C ATOM 58 CG1 ILE A 4 -0.282 3.400 -9.229 1.00 0.31 C ATOM 59 CG2 ILE A 4 -0.238 1.315 -10.629 1.00 0.26 C ATOM 60 CD1 ILE A 4 0.393 2.690 -8.074 1.00 0.26 C ATOM 0 H ILE A 4 -1.959 4.874 -10.043 1.00 0.29 H new ATOM 0 HA ILE A 4 -0.956 3.160 -12.149 1.00 0.27 H new ATOM 0 HB ILE A 4 -1.931 2.068 -9.552 1.00 0.25 H new ATOM 0 HG12 ILE A 4 0.478 3.899 -9.830 1.00 0.31 H new ATOM 0 HG13 ILE A 4 -0.936 4.177 -8.833 1.00 0.31 H new ATOM 0 HG21 ILE A 4 0.162 0.768 -9.775 1.00 0.26 H new ATOM 0 HG22 ILE A 4 -0.843 0.644 -11.239 1.00 0.26 H new ATOM 0 HG23 ILE A 4 0.585 1.706 -11.227 1.00 0.26 H new ATOM 0 HD11 ILE A 4 0.953 3.412 -7.480 1.00 0.26 H new ATOM 0 HD12 ILE A 4 -0.362 2.214 -7.448 1.00 0.26 H new ATOM 0 HD13 ILE A 4 1.074 1.932 -8.461 1.00 0.26 H new ATOM 72 N GLY A 5 -4.061 3.192 -11.068 1.00 0.31 N ATOM 73 CA GLY A 5 -5.425 2.847 -11.415 1.00 0.35 C ATOM 74 C GLY A 5 -5.785 1.439 -11.032 1.00 0.33 C ATOM 75 O GLY A 5 -6.806 0.909 -11.470 1.00 0.51 O ATOM 0 H GLY A 5 -3.975 3.846 -10.290 1.00 0.31 H new ATOM 0 HA2 GLY A 5 -6.107 3.539 -10.921 1.00 0.35 H new ATOM 0 HA3 GLY A 5 -5.565 2.974 -12.488 1.00 0.35 H new ATOM 79 N VAL A 6 -4.955 0.832 -10.213 1.00 0.18 N ATOM 80 CA VAL A 6 -5.157 -0.548 -9.842 1.00 0.15 C ATOM 81 C VAL A 6 -5.689 -0.656 -8.426 1.00 0.14 C ATOM 82 O VAL A 6 -5.186 -0.016 -7.497 1.00 0.17 O ATOM 83 CB VAL A 6 -3.862 -1.377 -9.995 1.00 0.16 C ATOM 84 CG1 VAL A 6 -3.449 -1.446 -11.457 1.00 0.23 C ATOM 85 CG2 VAL A 6 -2.734 -0.796 -9.159 1.00 0.17 C ATOM 0 H VAL A 6 -4.136 1.272 -9.793 1.00 0.18 H new ATOM 0 HA VAL A 6 -5.899 -0.960 -10.526 1.00 0.15 H new ATOM 0 HB VAL A 6 -4.065 -2.385 -9.635 1.00 0.16 H new ATOM 0 HG11 VAL A 6 -2.535 -2.033 -11.550 1.00 0.23 H new ATOM 0 HG12 VAL A 6 -4.243 -1.916 -12.038 1.00 0.23 H new ATOM 0 HG13 VAL A 6 -3.273 -0.438 -11.833 1.00 0.23 H new ATOM 0 HG21 VAL A 6 -1.837 -1.401 -9.288 1.00 0.17 H new ATOM 0 HG22 VAL A 6 -2.532 0.226 -9.480 1.00 0.17 H new ATOM 0 HG23 VAL A 6 -3.023 -0.795 -8.108 1.00 0.17 H new ATOM 95 N VAL A 7 -6.726 -1.466 -8.290 1.00 0.14 N ATOM 96 CA VAL A 7 -7.352 -1.711 -7.009 1.00 0.13 C ATOM 97 C VAL A 7 -7.135 -3.162 -6.594 1.00 0.14 C ATOM 98 O VAL A 7 -7.182 -4.075 -7.422 1.00 0.17 O ATOM 99 CB VAL A 7 -8.863 -1.374 -7.036 1.00 0.13 C ATOM 100 CG1 VAL A 7 -9.603 -2.215 -8.066 1.00 0.16 C ATOM 101 CG2 VAL A 7 -9.475 -1.549 -5.656 1.00 0.13 C ATOM 0 H VAL A 7 -7.154 -1.970 -9.066 1.00 0.14 H new ATOM 0 HA VAL A 7 -6.886 -1.054 -6.275 1.00 0.13 H new ATOM 0 HB VAL A 7 -8.966 -0.329 -7.329 1.00 0.13 H new ATOM 0 HG11 VAL A 7 -10.661 -1.952 -8.058 1.00 0.16 H new ATOM 0 HG12 VAL A 7 -9.189 -2.024 -9.056 1.00 0.16 H new ATOM 0 HG13 VAL A 7 -9.490 -3.271 -7.823 1.00 0.16 H new ATOM 0 HG21 VAL A 7 -10.537 -1.307 -5.696 1.00 0.13 H new ATOM 0 HG22 VAL A 7 -9.350 -2.582 -5.331 1.00 0.13 H new ATOM 0 HG23 VAL A 7 -8.978 -0.883 -4.950 1.00 0.13 H new ATOM 111 N ARG A 8 -6.868 -3.362 -5.320 1.00 0.14 N ATOM 112 CA ARG A 8 -6.553 -4.673 -4.790 1.00 0.15 C ATOM 113 C ARG A 8 -7.628 -5.127 -3.835 1.00 0.14 C ATOM 114 O ARG A 8 -8.361 -4.312 -3.278 1.00 0.17 O ATOM 115 CB ARG A 8 -5.207 -4.651 -4.066 1.00 0.18 C ATOM 116 CG ARG A 8 -4.038 -5.134 -4.905 1.00 0.28 C ATOM 117 CD ARG A 8 -4.037 -4.504 -6.289 1.00 0.34 C ATOM 118 NE ARG A 8 -2.756 -4.672 -6.964 1.00 0.67 N ATOM 119 CZ ARG A 8 -2.608 -4.779 -8.282 1.00 0.56 C ATOM 120 NH1 ARG A 8 -3.665 -4.786 -9.080 1.00 0.87 N ATOM 121 NH2 ARG A 8 -1.395 -4.891 -8.802 1.00 1.21 N ATOM 0 H ARG A 8 -6.863 -2.619 -4.621 1.00 0.14 H new ATOM 0 HA ARG A 8 -6.497 -5.370 -5.626 1.00 0.15 H new ATOM 0 HB2 ARG A 8 -5.004 -3.633 -3.733 1.00 0.18 H new ATOM 0 HB3 ARG A 8 -5.278 -5.271 -3.172 1.00 0.18 H new ATOM 0 HG2 ARG A 8 -3.103 -4.896 -4.397 1.00 0.28 H new ATOM 0 HG3 ARG A 8 -4.082 -6.219 -5.000 1.00 0.28 H new ATOM 0 HD2 ARG A 8 -4.826 -4.953 -6.892 1.00 0.34 H new ATOM 0 HD3 ARG A 8 -4.266 -3.442 -6.204 1.00 0.34 H new ATOM 0 HE ARG A 8 -1.916 -4.710 -6.387 1.00 0.67 H new ATOM 0 HH11 ARG A 8 -4.602 -4.709 -8.685 1.00 0.87 H new ATOM 0 HH12 ARG A 8 -3.542 -4.868 -10.089 1.00 0.87 H new ATOM 0 HH21 ARG A 8 -0.577 -4.895 -8.192 1.00 1.21 H new ATOM 0 HH22 ARG A 8 -1.279 -4.973 -9.812 1.00 1.21 H new ATOM 135 N LYS A 9 -7.724 -6.426 -3.663 1.00 0.14 N ATOM 136 CA LYS A 9 -8.635 -7.002 -2.700 1.00 0.15 C ATOM 137 C LYS A 9 -7.833 -7.759 -1.657 1.00 0.17 C ATOM 138 O LYS A 9 -7.045 -8.646 -1.992 1.00 0.22 O ATOM 139 CB LYS A 9 -9.654 -7.919 -3.387 1.00 0.22 C ATOM 140 CG LYS A 9 -10.947 -7.222 -3.820 1.00 0.51 C ATOM 141 CD LYS A 9 -10.716 -5.993 -4.701 1.00 0.36 C ATOM 142 CE LYS A 9 -10.052 -6.347 -6.026 1.00 0.98 C ATOM 143 NZ LYS A 9 -10.879 -7.289 -6.826 1.00 1.13 N ATOM 0 H LYS A 9 -7.176 -7.110 -4.184 1.00 0.14 H new ATOM 0 HA LYS A 9 -9.198 -6.206 -2.213 1.00 0.15 H new ATOM 0 HB2 LYS A 9 -9.187 -8.367 -4.264 1.00 0.22 H new ATOM 0 HB3 LYS A 9 -9.906 -8.734 -2.708 1.00 0.22 H new ATOM 0 HG2 LYS A 9 -11.570 -7.934 -4.361 1.00 0.51 H new ATOM 0 HG3 LYS A 9 -11.503 -6.922 -2.932 1.00 0.51 H new ATOM 0 HD2 LYS A 9 -11.670 -5.503 -4.895 1.00 0.36 H new ATOM 0 HD3 LYS A 9 -10.093 -5.277 -4.165 1.00 0.36 H new ATOM 0 HE2 LYS A 9 -9.880 -5.437 -6.601 1.00 0.98 H new ATOM 0 HE3 LYS A 9 -9.076 -6.793 -5.835 1.00 0.98 H new ATOM 0 HZ1 LYS A 9 -10.491 -7.360 -7.788 1.00 1.13 H new ATOM 0 HZ2 LYS A 9 -10.868 -8.227 -6.378 1.00 1.13 H new ATOM 0 HZ3 LYS A 9 -11.857 -6.939 -6.872 1.00 1.13 H new ATOM 157 N VAL A 10 -8.018 -7.374 -0.404 1.00 0.16 N ATOM 158 CA VAL A 10 -7.274 -7.936 0.712 1.00 0.18 C ATOM 159 C VAL A 10 -7.447 -9.452 0.803 1.00 0.20 C ATOM 160 O VAL A 10 -8.489 -9.997 0.449 1.00 0.24 O ATOM 161 CB VAL A 10 -7.701 -7.262 2.044 1.00 0.18 C ATOM 162 CG1 VAL A 10 -7.239 -8.057 3.251 1.00 0.20 C ATOM 163 CG2 VAL A 10 -7.152 -5.850 2.116 1.00 0.18 C ATOM 0 H VAL A 10 -8.692 -6.659 -0.131 1.00 0.16 H new ATOM 0 HA VAL A 10 -6.217 -7.735 0.536 1.00 0.18 H new ATOM 0 HB VAL A 10 -8.790 -7.231 2.061 1.00 0.18 H new ATOM 0 HG11 VAL A 10 -7.558 -7.552 4.163 1.00 0.20 H new ATOM 0 HG12 VAL A 10 -7.675 -9.055 3.218 1.00 0.20 H new ATOM 0 HG13 VAL A 10 -6.152 -8.135 3.241 1.00 0.20 H new ATOM 0 HG21 VAL A 10 -7.458 -5.388 3.055 1.00 0.18 H new ATOM 0 HG22 VAL A 10 -6.064 -5.880 2.064 1.00 0.18 H new ATOM 0 HG23 VAL A 10 -7.539 -5.266 1.281 1.00 0.18 H new ATOM 173 N ASP A 11 -6.389 -10.112 1.239 1.00 0.17 N ATOM 174 CA ASP A 11 -6.401 -11.542 1.498 1.00 0.21 C ATOM 175 C ASP A 11 -7.352 -11.860 2.649 1.00 0.22 C ATOM 176 O ASP A 11 -8.472 -12.314 2.425 1.00 0.24 O ATOM 177 CB ASP A 11 -4.967 -12.005 1.805 1.00 0.24 C ATOM 178 CG ASP A 11 -4.880 -13.278 2.625 1.00 0.58 C ATOM 179 OD1 ASP A 11 -5.172 -14.369 2.099 1.00 1.31 O ATOM 180 OD2 ASP A 11 -4.478 -13.187 3.807 1.00 1.30 O ATOM 0 H ASP A 11 -5.490 -9.668 1.425 1.00 0.17 H new ATOM 0 HA ASP A 11 -6.761 -12.079 0.620 1.00 0.21 H new ATOM 0 HB2 ASP A 11 -4.438 -12.157 0.864 1.00 0.24 H new ATOM 0 HB3 ASP A 11 -4.447 -11.208 2.338 1.00 0.24 H new ATOM 185 N GLU A 12 -6.899 -11.602 3.872 1.00 0.23 N ATOM 186 CA GLU A 12 -7.710 -11.782 5.078 1.00 0.25 C ATOM 187 C GLU A 12 -7.174 -10.865 6.169 1.00 0.26 C ATOM 188 O GLU A 12 -7.925 -10.212 6.893 1.00 0.30 O ATOM 189 CB GLU A 12 -7.658 -13.234 5.590 1.00 0.29 C ATOM 190 CG GLU A 12 -8.060 -14.287 4.568 1.00 0.33 C ATOM 191 CD GLU A 12 -8.164 -15.674 5.165 1.00 0.40 C ATOM 192 OE1 GLU A 12 -7.118 -16.338 5.328 1.00 1.23 O ATOM 193 OE2 GLU A 12 -9.294 -16.107 5.472 1.00 1.10 O ATOM 0 H GLU A 12 -5.956 -11.261 4.058 1.00 0.23 H new ATOM 0 HA GLU A 12 -8.744 -11.543 4.830 1.00 0.25 H new ATOM 0 HB2 GLU A 12 -6.645 -13.448 5.931 1.00 0.29 H new ATOM 0 HB3 GLU A 12 -8.312 -13.322 6.458 1.00 0.29 H new ATOM 0 HG2 GLU A 12 -9.019 -14.013 4.128 1.00 0.33 H new ATOM 0 HG3 GLU A 12 -7.330 -14.299 3.759 1.00 0.33 H new ATOM 200 N LEU A 13 -5.852 -10.835 6.266 1.00 0.26 N ATOM 201 CA LEU A 13 -5.149 -10.048 7.274 1.00 0.27 C ATOM 202 C LEU A 13 -4.987 -8.604 6.821 1.00 0.26 C ATOM 203 O LEU A 13 -4.867 -7.686 7.632 1.00 0.41 O ATOM 204 CB LEU A 13 -3.760 -10.643 7.489 1.00 0.30 C ATOM 205 CG LEU A 13 -3.709 -12.162 7.608 1.00 0.31 C ATOM 206 CD1 LEU A 13 -2.298 -12.651 7.331 1.00 0.85 C ATOM 207 CD2 LEU A 13 -4.177 -12.607 8.986 1.00 0.72 C ATOM 0 H LEU A 13 -5.233 -11.357 5.646 1.00 0.26 H new ATOM 0 HA LEU A 13 -5.731 -10.069 8.196 1.00 0.27 H new ATOM 0 HB2 LEU A 13 -3.121 -10.339 6.660 1.00 0.30 H new ATOM 0 HB3 LEU A 13 -3.334 -10.210 8.394 1.00 0.30 H new ATOM 0 HG LEU A 13 -4.382 -12.599 6.870 1.00 0.31 H new ATOM 0 HD11 LEU A 13 -2.266 -13.737 7.417 1.00 0.85 H new ATOM 0 HD12 LEU A 13 -2.003 -12.358 6.324 1.00 0.85 H new ATOM 0 HD13 LEU A 13 -1.611 -12.209 8.053 1.00 0.85 H new ATOM 0 HD21 LEU A 13 -4.133 -13.694 9.052 1.00 0.72 H new ATOM 0 HD22 LEU A 13 -3.531 -12.171 9.748 1.00 0.72 H new ATOM 0 HD23 LEU A 13 -5.203 -12.275 9.147 1.00 0.72 H new ATOM 219 N GLY A 14 -4.982 -8.420 5.513 1.00 0.17 N ATOM 220 CA GLY A 14 -4.667 -7.131 4.941 1.00 0.16 C ATOM 221 C GLY A 14 -3.690 -7.271 3.796 1.00 0.12 C ATOM 222 O GLY A 14 -3.395 -6.311 3.096 1.00 0.12 O ATOM 0 H GLY A 14 -5.193 -9.148 4.831 1.00 0.17 H new ATOM 0 HA2 GLY A 14 -5.581 -6.653 4.588 1.00 0.16 H new ATOM 0 HA3 GLY A 14 -4.244 -6.482 5.708 1.00 0.16 H new ATOM 226 N ARG A 15 -3.190 -8.487 3.604 1.00 0.12 N ATOM 227 CA ARG A 15 -2.224 -8.765 2.546 1.00 0.11 C ATOM 228 C ARG A 15 -2.836 -8.507 1.170 1.00 0.10 C ATOM 229 O ARG A 15 -3.915 -9.009 0.865 1.00 0.14 O ATOM 230 CB ARG A 15 -1.752 -10.224 2.614 1.00 0.15 C ATOM 231 CG ARG A 15 -1.347 -10.696 4.003 1.00 0.25 C ATOM 232 CD ARG A 15 -0.746 -12.097 3.962 1.00 0.40 C ATOM 233 NE ARG A 15 -1.715 -13.106 3.526 1.00 1.45 N ATOM 234 CZ ARG A 15 -1.386 -14.240 2.902 1.00 1.87 C ATOM 235 NH1 ARG A 15 -0.120 -14.503 2.600 1.00 1.51 N ATOM 236 NH2 ARG A 15 -2.334 -15.108 2.568 1.00 3.03 N ATOM 0 H ARG A 15 -3.439 -9.299 4.169 1.00 0.12 H new ATOM 0 HA ARG A 15 -1.374 -8.099 2.694 1.00 0.11 H new ATOM 0 HB2 ARG A 15 -2.550 -10.868 2.245 1.00 0.15 H new ATOM 0 HB3 ARG A 15 -0.904 -10.349 1.941 1.00 0.15 H new ATOM 0 HG2 ARG A 15 -0.624 -10.001 4.429 1.00 0.25 H new ATOM 0 HG3 ARG A 15 -2.218 -10.691 4.659 1.00 0.25 H new ATOM 0 HD2 ARG A 15 0.110 -12.103 3.287 1.00 0.40 H new ATOM 0 HD3 ARG A 15 -0.373 -12.359 4.952 1.00 0.40 H new ATOM 0 HE ARG A 15 -2.703 -12.931 3.711 1.00 1.45 H new ATOM 0 HH11 ARG A 15 0.612 -13.836 2.845 1.00 1.51 H new ATOM 0 HH12 ARG A 15 0.121 -15.372 2.123 1.00 1.51 H new ATOM 0 HH21 ARG A 15 -3.310 -14.907 2.788 1.00 3.03 H new ATOM 0 HH22 ARG A 15 -2.087 -15.975 2.091 1.00 3.03 H new ATOM 250 N ILE A 16 -2.148 -7.718 0.353 1.00 0.09 N ATOM 251 CA ILE A 16 -2.577 -7.457 -1.019 1.00 0.09 C ATOM 252 C ILE A 16 -1.348 -7.461 -1.925 1.00 0.10 C ATOM 253 O ILE A 16 -0.229 -7.645 -1.454 1.00 0.12 O ATOM 254 CB ILE A 16 -3.342 -6.107 -1.174 1.00 0.10 C ATOM 255 CG1 ILE A 16 -2.378 -4.945 -1.419 1.00 0.11 C ATOM 256 CG2 ILE A 16 -4.205 -5.820 0.047 1.00 0.13 C ATOM 257 CD1 ILE A 16 -3.039 -3.584 -1.371 1.00 0.13 C ATOM 0 H ILE A 16 -1.284 -7.244 0.618 1.00 0.09 H new ATOM 0 HA ILE A 16 -3.276 -8.244 -1.302 1.00 0.09 H new ATOM 0 HB ILE A 16 -3.992 -6.204 -2.044 1.00 0.10 H new ATOM 0 HG12 ILE A 16 -1.584 -4.980 -0.673 1.00 0.11 H new ATOM 0 HG13 ILE A 16 -1.906 -5.076 -2.393 1.00 0.11 H new ATOM 0 HG21 ILE A 16 -4.726 -4.872 -0.090 1.00 0.13 H new ATOM 0 HG22 ILE A 16 -4.934 -6.620 0.173 1.00 0.13 H new ATOM 0 HG23 ILE A 16 -3.573 -5.762 0.933 1.00 0.13 H new ATOM 0 HD11 ILE A 16 -2.293 -2.811 -1.554 1.00 0.13 H new ATOM 0 HD12 ILE A 16 -3.814 -3.529 -2.136 1.00 0.13 H new ATOM 0 HD13 ILE A 16 -3.487 -3.431 -0.389 1.00 0.13 H new ATOM 269 N VAL A 17 -1.546 -7.248 -3.211 1.00 0.10 N ATOM 270 CA VAL A 17 -0.440 -7.282 -4.150 1.00 0.11 C ATOM 271 C VAL A 17 -0.074 -5.875 -4.611 1.00 0.12 C ATOM 272 O VAL A 17 -0.878 -5.180 -5.222 1.00 0.19 O ATOM 273 CB VAL A 17 -0.750 -8.197 -5.367 1.00 0.15 C ATOM 274 CG1 VAL A 17 -2.093 -7.855 -5.997 1.00 0.19 C ATOM 275 CG2 VAL A 17 0.363 -8.120 -6.405 1.00 0.17 C ATOM 0 H VAL A 17 -2.456 -7.051 -3.628 1.00 0.10 H new ATOM 0 HA VAL A 17 0.418 -7.707 -3.629 1.00 0.11 H new ATOM 0 HB VAL A 17 -0.807 -9.221 -4.998 1.00 0.15 H new ATOM 0 HG11 VAL A 17 -2.276 -8.515 -6.845 1.00 0.19 H new ATOM 0 HG12 VAL A 17 -2.885 -7.984 -5.259 1.00 0.19 H new ATOM 0 HG13 VAL A 17 -2.081 -6.820 -6.339 1.00 0.19 H new ATOM 0 HG21 VAL A 17 0.121 -8.770 -7.246 1.00 0.17 H new ATOM 0 HG22 VAL A 17 0.462 -7.093 -6.756 1.00 0.17 H new ATOM 0 HG23 VAL A 17 1.302 -8.442 -5.956 1.00 0.17 H new ATOM 285 N MET A 18 1.132 -5.443 -4.285 1.00 0.11 N ATOM 286 CA MET A 18 1.624 -4.163 -4.774 1.00 0.12 C ATOM 287 C MET A 18 2.197 -4.344 -6.168 1.00 0.11 C ATOM 288 O MET A 18 2.670 -5.430 -6.506 1.00 0.13 O ATOM 289 CB MET A 18 2.674 -3.571 -3.837 1.00 0.15 C ATOM 290 CG MET A 18 2.059 -2.957 -2.601 1.00 0.28 C ATOM 291 SD MET A 18 0.987 -1.571 -3.009 1.00 0.84 S ATOM 292 CE MET A 18 -0.060 -1.548 -1.565 1.00 0.80 C ATOM 0 H MET A 18 1.785 -5.953 -3.690 1.00 0.11 H new ATOM 0 HA MET A 18 0.790 -3.462 -4.810 1.00 0.12 H new ATOM 0 HB2 MET A 18 3.375 -4.351 -3.542 1.00 0.15 H new ATOM 0 HB3 MET A 18 3.247 -2.812 -4.370 1.00 0.15 H new ATOM 0 HG2 MET A 18 1.487 -3.714 -2.065 1.00 0.28 H new ATOM 0 HG3 MET A 18 2.849 -2.620 -1.930 1.00 0.28 H new ATOM 0 HE1 MET A 18 -1.051 -1.187 -1.840 1.00 0.80 H new ATOM 0 HE2 MET A 18 -0.141 -2.556 -1.158 1.00 0.80 H new ATOM 0 HE3 MET A 18 0.371 -0.887 -0.813 1.00 0.80 H new ATOM 302 N PRO A 19 2.151 -3.306 -7.006 1.00 0.12 N ATOM 303 CA PRO A 19 2.557 -3.426 -8.395 1.00 0.13 C ATOM 304 C PRO A 19 4.067 -3.334 -8.587 1.00 0.13 C ATOM 305 O PRO A 19 4.792 -2.735 -7.777 1.00 0.13 O ATOM 306 CB PRO A 19 1.855 -2.246 -9.061 1.00 0.15 C ATOM 307 CG PRO A 19 1.754 -1.205 -7.996 1.00 0.16 C ATOM 308 CD PRO A 19 1.720 -1.935 -6.672 1.00 0.15 C ATOM 0 HA PRO A 19 2.291 -4.397 -8.813 1.00 0.13 H new ATOM 0 HB2 PRO A 19 2.423 -1.881 -9.917 1.00 0.15 H new ATOM 0 HB3 PRO A 19 0.869 -2.530 -9.430 1.00 0.15 H new ATOM 0 HG2 PRO A 19 2.604 -0.524 -8.040 1.00 0.16 H new ATOM 0 HG3 PRO A 19 0.855 -0.603 -8.128 1.00 0.16 H new ATOM 0 HD2 PRO A 19 2.388 -1.473 -5.945 1.00 0.15 H new ATOM 0 HD3 PRO A 19 0.720 -1.926 -6.237 1.00 0.15 H new ATOM 316 N ILE A 20 4.539 -3.937 -9.670 1.00 0.15 N ATOM 317 CA ILE A 20 5.925 -3.794 -10.088 1.00 0.16 C ATOM 318 C ILE A 20 6.276 -2.314 -10.201 1.00 0.16 C ATOM 319 O ILE A 20 7.392 -1.907 -9.912 1.00 0.16 O ATOM 320 CB ILE A 20 6.176 -4.508 -11.438 1.00 0.20 C ATOM 321 CG1 ILE A 20 7.602 -4.260 -11.949 1.00 0.24 C ATOM 322 CG2 ILE A 20 5.149 -4.070 -12.476 1.00 0.22 C ATOM 323 CD1 ILE A 20 8.683 -4.841 -11.064 1.00 0.26 C ATOM 0 H ILE A 20 3.977 -4.533 -10.278 1.00 0.15 H new ATOM 0 HA ILE A 20 6.563 -4.261 -9.338 1.00 0.16 H new ATOM 0 HB ILE A 20 6.066 -5.580 -11.271 1.00 0.20 H new ATOM 0 HG12 ILE A 20 7.698 -4.685 -12.948 1.00 0.24 H new ATOM 0 HG13 ILE A 20 7.762 -3.186 -12.042 1.00 0.24 H new ATOM 0 HG21 ILE A 20 5.342 -4.583 -13.418 1.00 0.22 H new ATOM 0 HG22 ILE A 20 4.148 -4.320 -12.125 1.00 0.22 H new ATOM 0 HG23 ILE A 20 5.222 -2.993 -12.628 1.00 0.22 H new ATOM 0 HD11 ILE A 20 9.661 -4.623 -11.493 1.00 0.26 H new ATOM 0 HD12 ILE A 20 8.616 -4.398 -10.070 1.00 0.26 H new ATOM 0 HD13 ILE A 20 8.552 -5.921 -10.990 1.00 0.26 H new ATOM 335 N GLU A 21 5.284 -1.518 -10.571 1.00 0.16 N ATOM 336 CA GLU A 21 5.429 -0.075 -10.699 1.00 0.17 C ATOM 337 C GLU A 21 5.808 0.558 -9.368 1.00 0.16 C ATOM 338 O GLU A 21 6.464 1.589 -9.331 1.00 0.19 O ATOM 339 CB GLU A 21 4.112 0.502 -11.196 1.00 0.18 C ATOM 340 CG GLU A 21 3.532 -0.298 -12.343 1.00 0.21 C ATOM 341 CD GLU A 21 4.397 -0.240 -13.585 1.00 0.28 C ATOM 342 OE1 GLU A 21 5.303 -1.086 -13.721 1.00 1.08 O ATOM 343 OE2 GLU A 21 4.175 0.648 -14.430 1.00 1.03 O ATOM 0 H GLU A 21 4.348 -1.858 -10.793 1.00 0.16 H new ATOM 0 HA GLU A 21 6.228 0.143 -11.408 1.00 0.17 H new ATOM 0 HB2 GLU A 21 3.396 0.527 -10.375 1.00 0.18 H new ATOM 0 HB3 GLU A 21 4.267 1.532 -11.516 1.00 0.18 H new ATOM 0 HG2 GLU A 21 3.414 -1.337 -12.034 1.00 0.21 H new ATOM 0 HG3 GLU A 21 2.537 0.080 -12.579 1.00 0.21 H new ATOM 350 N LEU A 22 5.408 -0.079 -8.278 1.00 0.14 N ATOM 351 CA LEU A 22 5.764 0.388 -6.952 1.00 0.15 C ATOM 352 C LEU A 22 7.199 -0.009 -6.668 1.00 0.15 C ATOM 353 O LEU A 22 7.987 0.766 -6.122 1.00 0.17 O ATOM 354 CB LEU A 22 4.807 -0.202 -5.906 1.00 0.18 C ATOM 355 CG LEU A 22 5.432 -0.566 -4.556 1.00 0.15 C ATOM 356 CD1 LEU A 22 4.475 -0.248 -3.421 1.00 0.19 C ATOM 357 CD2 LEU A 22 5.797 -2.047 -4.530 1.00 0.20 C ATOM 0 H LEU A 22 4.835 -0.923 -8.289 1.00 0.14 H new ATOM 0 HA LEU A 22 5.677 1.473 -6.901 1.00 0.15 H new ATOM 0 HB2 LEU A 22 4.004 0.515 -5.731 1.00 0.18 H new ATOM 0 HB3 LEU A 22 4.349 -1.098 -6.326 1.00 0.18 H new ATOM 0 HG LEU A 22 6.337 0.027 -4.424 1.00 0.15 H new ATOM 0 HD11 LEU A 22 4.937 -0.514 -2.470 1.00 0.19 H new ATOM 0 HD12 LEU A 22 4.244 0.817 -3.427 1.00 0.19 H new ATOM 0 HD13 LEU A 22 3.556 -0.819 -3.550 1.00 0.19 H new ATOM 0 HD21 LEU A 22 6.241 -2.296 -3.566 1.00 0.20 H new ATOM 0 HD22 LEU A 22 4.899 -2.646 -4.681 1.00 0.20 H new ATOM 0 HD23 LEU A 22 6.513 -2.259 -5.324 1.00 0.20 H new ATOM 369 N ARG A 23 7.533 -1.223 -7.080 1.00 0.13 N ATOM 370 CA ARG A 23 8.897 -1.719 -6.941 1.00 0.16 C ATOM 371 C ARG A 23 9.852 -0.874 -7.782 1.00 0.20 C ATOM 372 O ARG A 23 11.014 -0.678 -7.419 1.00 0.25 O ATOM 373 CB ARG A 23 8.989 -3.197 -7.348 1.00 0.18 C ATOM 374 CG ARG A 23 8.070 -4.112 -6.546 1.00 0.17 C ATOM 375 CD ARG A 23 8.421 -5.587 -6.735 1.00 0.24 C ATOM 376 NE ARG A 23 7.803 -6.190 -7.919 1.00 0.69 N ATOM 377 CZ ARG A 23 8.278 -7.281 -8.532 1.00 0.53 C ATOM 378 NH1 ARG A 23 9.441 -7.804 -8.162 1.00 0.46 N ATOM 379 NH2 ARG A 23 7.593 -7.842 -9.524 1.00 1.05 N ATOM 0 H ARG A 23 6.883 -1.881 -7.511 1.00 0.13 H new ATOM 0 HA ARG A 23 9.185 -1.640 -5.893 1.00 0.16 H new ATOM 0 HB2 ARG A 23 8.745 -3.289 -8.406 1.00 0.18 H new ATOM 0 HB3 ARG A 23 10.018 -3.534 -7.227 1.00 0.18 H new ATOM 0 HG2 ARG A 23 8.137 -3.856 -5.489 1.00 0.17 H new ATOM 0 HG3 ARG A 23 7.037 -3.944 -6.849 1.00 0.17 H new ATOM 0 HD2 ARG A 23 9.504 -5.688 -6.810 1.00 0.24 H new ATOM 0 HD3 ARG A 23 8.110 -6.142 -5.850 1.00 0.24 H new ATOM 0 HE ARG A 23 6.963 -5.753 -8.298 1.00 0.69 H new ATOM 0 HH11 ARG A 23 9.976 -7.374 -7.408 1.00 0.46 H new ATOM 0 HH12 ARG A 23 9.799 -8.635 -8.632 1.00 0.46 H new ATOM 0 HH21 ARG A 23 6.703 -7.441 -9.820 1.00 1.05 H new ATOM 0 HH22 ARG A 23 7.958 -8.673 -9.989 1.00 1.05 H new ATOM 393 N ARG A 24 9.329 -0.350 -8.880 1.00 0.18 N ATOM 394 CA ARG A 24 10.098 0.448 -9.826 1.00 0.21 C ATOM 395 C ARG A 24 10.158 1.900 -9.381 1.00 0.23 C ATOM 396 O ARG A 24 11.145 2.597 -9.619 1.00 0.27 O ATOM 397 CB ARG A 24 9.468 0.353 -11.216 1.00 0.22 C ATOM 398 CG ARG A 24 9.519 -1.046 -11.806 1.00 0.23 C ATOM 399 CD ARG A 24 8.658 -1.151 -13.056 1.00 0.25 C ATOM 400 NE ARG A 24 9.244 -0.447 -14.194 1.00 0.35 N ATOM 401 CZ ARG A 24 8.580 -0.158 -15.313 1.00 0.47 C ATOM 402 NH1 ARG A 24 7.276 -0.393 -15.401 1.00 0.41 N ATOM 403 NH2 ARG A 24 9.212 0.390 -16.344 1.00 0.71 N ATOM 0 H ARG A 24 8.350 -0.467 -9.143 1.00 0.18 H new ATOM 0 HA ARG A 24 11.115 0.058 -9.863 1.00 0.21 H new ATOM 0 HB2 ARG A 24 8.429 0.678 -11.159 1.00 0.22 H new ATOM 0 HB3 ARG A 24 9.981 1.042 -11.887 1.00 0.22 H new ATOM 0 HG2 ARG A 24 10.550 -1.303 -12.049 1.00 0.23 H new ATOM 0 HG3 ARG A 24 9.177 -1.768 -11.065 1.00 0.23 H new ATOM 0 HD2 ARG A 24 8.521 -2.201 -13.313 1.00 0.25 H new ATOM 0 HD3 ARG A 24 7.669 -0.742 -12.849 1.00 0.25 H new ATOM 0 HE ARG A 24 10.220 -0.159 -14.128 1.00 0.35 H new ATOM 0 HH11 ARG A 24 6.776 -0.797 -14.609 1.00 0.41 H new ATOM 0 HH12 ARG A 24 6.774 -0.169 -16.260 1.00 0.41 H new ATOM 0 HH21 ARG A 24 10.210 0.592 -16.282 1.00 0.71 H new ATOM 0 HH22 ARG A 24 8.700 0.609 -17.198 1.00 0.71 H new ATOM 417 N ALA A 25 9.094 2.341 -8.727 1.00 0.21 N ATOM 418 CA ALA A 25 8.995 3.714 -8.258 1.00 0.23 C ATOM 419 C ALA A 25 9.966 3.938 -7.119 1.00 0.25 C ATOM 420 O ALA A 25 10.618 4.979 -7.021 1.00 0.26 O ATOM 421 CB ALA A 25 7.576 4.023 -7.805 1.00 0.23 C ATOM 0 H ALA A 25 8.282 1.763 -8.508 1.00 0.21 H new ATOM 0 HA ALA A 25 9.247 4.384 -9.080 1.00 0.23 H new ATOM 0 HB1 ALA A 25 7.522 5.055 -7.458 1.00 0.23 H new ATOM 0 HB2 ALA A 25 6.889 3.885 -8.640 1.00 0.23 H new ATOM 0 HB3 ALA A 25 7.299 3.351 -6.992 1.00 0.23 H new ATOM 427 N LEU A 26 10.072 2.934 -6.273 1.00 0.30 N ATOM 428 CA LEU A 26 10.895 3.021 -5.091 1.00 0.36 C ATOM 429 C LEU A 26 12.271 2.406 -5.312 1.00 0.39 C ATOM 430 O LEU A 26 13.190 3.069 -5.791 1.00 0.52 O ATOM 431 CB LEU A 26 10.178 2.331 -3.935 1.00 0.33 C ATOM 432 CG LEU A 26 8.913 3.035 -3.449 1.00 0.37 C ATOM 433 CD1 LEU A 26 8.132 2.137 -2.503 1.00 0.37 C ATOM 434 CD2 LEU A 26 9.272 4.344 -2.763 1.00 0.47 C ATOM 0 H LEU A 26 9.592 2.041 -6.387 1.00 0.30 H new ATOM 0 HA LEU A 26 11.052 4.073 -4.854 1.00 0.36 H new ATOM 0 HB2 LEU A 26 9.917 1.318 -4.242 1.00 0.33 H new ATOM 0 HB3 LEU A 26 10.871 2.242 -3.098 1.00 0.33 H new ATOM 0 HG LEU A 26 8.284 3.253 -4.312 1.00 0.37 H new ATOM 0 HD11 LEU A 26 7.234 2.656 -2.167 1.00 0.37 H new ATOM 0 HD12 LEU A 26 7.849 1.221 -3.021 1.00 0.37 H new ATOM 0 HD13 LEU A 26 8.752 1.890 -1.641 1.00 0.37 H new ATOM 0 HD21 LEU A 26 8.362 4.837 -2.421 1.00 0.47 H new ATOM 0 HD22 LEU A 26 9.918 4.142 -1.909 1.00 0.47 H new ATOM 0 HD23 LEU A 26 9.793 4.993 -3.467 1.00 0.47 H new ATOM 446 N ASP A 27 12.379 1.124 -4.998 1.00 0.32 N ATOM 447 CA ASP A 27 13.659 0.425 -4.943 1.00 0.41 C ATOM 448 C ASP A 27 13.406 -0.962 -4.367 1.00 0.35 C ATOM 449 O ASP A 27 13.954 -1.335 -3.335 1.00 0.57 O ATOM 450 CB ASP A 27 14.657 1.204 -4.064 1.00 0.60 C ATOM 451 CG ASP A 27 16.034 0.572 -4.004 1.00 0.85 C ATOM 452 OD1 ASP A 27 16.597 0.260 -5.070 1.00 1.36 O ATOM 453 OD2 ASP A 27 16.562 0.393 -2.884 1.00 1.72 O ATOM 0 H ASP A 27 11.578 0.534 -4.773 1.00 0.32 H new ATOM 0 HA ASP A 27 14.092 0.344 -5.940 1.00 0.41 H new ATOM 0 HB2 ASP A 27 14.749 2.220 -4.447 1.00 0.60 H new ATOM 0 HB3 ASP A 27 14.256 1.279 -3.053 1.00 0.60 H new ATOM 458 N ILE A 28 12.497 -1.692 -4.998 1.00 0.22 N ATOM 459 CA ILE A 28 12.158 -3.035 -4.550 1.00 0.18 C ATOM 460 C ILE A 28 12.535 -4.046 -5.621 1.00 0.22 C ATOM 461 O ILE A 28 12.182 -3.880 -6.789 1.00 0.28 O ATOM 462 CB ILE A 28 10.657 -3.199 -4.198 1.00 0.15 C ATOM 463 CG1 ILE A 28 10.283 -2.421 -2.927 1.00 0.14 C ATOM 464 CG2 ILE A 28 10.310 -4.666 -4.024 1.00 0.16 C ATOM 465 CD1 ILE A 28 10.154 -0.930 -3.129 1.00 0.19 C ATOM 0 H ILE A 28 11.982 -1.377 -5.820 1.00 0.22 H new ATOM 0 HA ILE A 28 12.725 -3.212 -3.636 1.00 0.18 H new ATOM 0 HB ILE A 28 10.082 -2.788 -5.027 1.00 0.15 H new ATOM 0 HG12 ILE A 28 9.339 -2.807 -2.543 1.00 0.14 H new ATOM 0 HG13 ILE A 28 11.038 -2.609 -2.164 1.00 0.14 H new ATOM 0 HG21 ILE A 28 9.253 -4.763 -3.777 1.00 0.16 H new ATOM 0 HG22 ILE A 28 10.517 -5.201 -4.951 1.00 0.16 H new ATOM 0 HG23 ILE A 28 10.911 -5.089 -3.219 1.00 0.16 H new ATOM 0 HD11 ILE A 28 9.888 -0.456 -2.184 1.00 0.19 H new ATOM 0 HD12 ILE A 28 11.103 -0.527 -3.482 1.00 0.19 H new ATOM 0 HD13 ILE A 28 9.377 -0.729 -3.867 1.00 0.19 H new ATOM 477 N ALA A 29 13.242 -5.089 -5.219 1.00 0.21 N ATOM 478 CA ALA A 29 13.715 -6.087 -6.160 1.00 0.25 C ATOM 479 C ALA A 29 12.820 -7.310 -6.147 1.00 0.25 C ATOM 480 O ALA A 29 12.244 -7.691 -7.167 1.00 0.30 O ATOM 481 CB ALA A 29 15.153 -6.476 -5.851 1.00 0.30 C ATOM 0 H ALA A 29 13.500 -5.265 -4.248 1.00 0.21 H new ATOM 0 HA ALA A 29 13.682 -5.652 -7.159 1.00 0.25 H new ATOM 0 HB1 ALA A 29 15.489 -7.225 -6.568 1.00 0.30 H new ATOM 0 HB2 ALA A 29 15.791 -5.595 -5.921 1.00 0.30 H new ATOM 0 HB3 ALA A 29 15.210 -6.887 -4.843 1.00 0.30 H new ATOM 487 N ILE A 30 12.694 -7.911 -4.981 1.00 0.23 N ATOM 488 CA ILE A 30 11.900 -9.121 -4.834 1.00 0.25 C ATOM 489 C ILE A 30 11.185 -9.103 -3.490 1.00 0.22 C ATOM 490 O ILE A 30 10.101 -9.651 -3.351 1.00 0.22 O ATOM 491 CB ILE A 30 12.780 -10.393 -4.994 1.00 0.29 C ATOM 492 CG1 ILE A 30 11.927 -11.673 -5.095 1.00 0.32 C ATOM 493 CG2 ILE A 30 13.796 -10.500 -3.861 1.00 0.30 C ATOM 494 CD1 ILE A 30 11.610 -12.338 -3.769 1.00 0.33 C ATOM 0 H ILE A 30 13.130 -7.584 -4.119 1.00 0.23 H new ATOM 0 HA ILE A 30 11.151 -9.151 -5.626 1.00 0.25 H new ATOM 0 HB ILE A 30 13.325 -10.294 -5.933 1.00 0.29 H new ATOM 0 HG12 ILE A 30 10.990 -11.429 -5.595 1.00 0.32 H new ATOM 0 HG13 ILE A 30 12.449 -12.390 -5.729 1.00 0.32 H new ATOM 0 HG21 ILE A 30 14.399 -11.398 -3.996 1.00 0.30 H new ATOM 0 HG22 ILE A 30 14.444 -9.623 -3.869 1.00 0.30 H new ATOM 0 HG23 ILE A 30 13.272 -10.555 -2.907 1.00 0.30 H new ATOM 0 HD11 ILE A 30 11.007 -13.229 -3.944 1.00 0.33 H new ATOM 0 HD12 ILE A 30 12.538 -12.620 -3.272 1.00 0.33 H new ATOM 0 HD13 ILE A 30 11.057 -11.644 -3.137 1.00 0.33 H new ATOM 506 N LYS A 31 11.805 -8.451 -2.517 1.00 0.21 N ATOM 507 CA LYS A 31 11.204 -8.239 -1.212 1.00 0.19 C ATOM 508 C LYS A 31 11.446 -6.800 -0.769 1.00 0.17 C ATOM 509 O LYS A 31 10.510 -6.056 -0.485 1.00 0.17 O ATOM 510 CB LYS A 31 11.792 -9.208 -0.178 1.00 0.22 C ATOM 511 CG LYS A 31 11.698 -10.671 -0.582 1.00 0.26 C ATOM 512 CD LYS A 31 11.823 -11.603 0.611 1.00 0.35 C ATOM 513 CE LYS A 31 10.655 -11.434 1.573 1.00 0.47 C ATOM 514 NZ LYS A 31 10.675 -12.446 2.661 1.00 1.46 N ATOM 0 H LYS A 31 12.740 -8.054 -2.612 1.00 0.21 H new ATOM 0 HA LYS A 31 10.133 -8.425 -1.286 1.00 0.19 H new ATOM 0 HB2 LYS A 31 12.839 -8.954 -0.010 1.00 0.22 H new ATOM 0 HB3 LYS A 31 11.274 -9.069 0.771 1.00 0.22 H new ATOM 0 HG2 LYS A 31 10.745 -10.848 -1.081 1.00 0.26 H new ATOM 0 HG3 LYS A 31 12.483 -10.899 -1.303 1.00 0.26 H new ATOM 0 HD2 LYS A 31 11.865 -12.636 0.265 1.00 0.35 H new ATOM 0 HD3 LYS A 31 12.759 -11.404 1.134 1.00 0.35 H new ATOM 0 HE2 LYS A 31 10.686 -10.435 2.007 1.00 0.47 H new ATOM 0 HE3 LYS A 31 9.718 -11.513 1.022 1.00 0.47 H new ATOM 0 HZ1 LYS A 31 9.862 -12.293 3.292 1.00 1.46 H new ATOM 0 HZ2 LYS A 31 10.620 -13.399 2.249 1.00 1.46 H new ATOM 0 HZ3 LYS A 31 11.557 -12.354 3.204 1.00 1.46 H new ATOM 528 N ASP A 32 12.715 -6.415 -0.769 1.00 0.17 N ATOM 529 CA ASP A 32 13.163 -5.100 -0.310 1.00 0.16 C ATOM 530 C ASP A 32 12.392 -4.573 0.905 1.00 0.17 C ATOM 531 O ASP A 32 12.352 -5.240 1.932 1.00 0.25 O ATOM 532 CB ASP A 32 13.165 -4.122 -1.473 1.00 0.16 C ATOM 533 CG ASP A 32 14.524 -4.096 -2.131 1.00 0.20 C ATOM 534 OD1 ASP A 32 15.390 -3.316 -1.690 1.00 1.05 O ATOM 535 OD2 ASP A 32 14.741 -4.884 -3.066 1.00 1.18 O ATOM 0 H ASP A 32 13.476 -7.013 -1.092 1.00 0.17 H new ATOM 0 HA ASP A 32 14.185 -5.212 0.052 1.00 0.16 H new ATOM 0 HB2 ASP A 32 12.406 -4.410 -2.201 1.00 0.16 H new ATOM 0 HB3 ASP A 32 12.905 -3.124 -1.119 1.00 0.16 H new ATOM 540 N SER A 33 11.802 -3.381 0.814 1.00 0.13 N ATOM 541 CA SER A 33 11.148 -2.767 1.981 1.00 0.13 C ATOM 542 C SER A 33 10.147 -1.694 1.556 1.00 0.14 C ATOM 543 O SER A 33 10.456 -0.860 0.704 1.00 0.18 O ATOM 544 CB SER A 33 12.191 -2.117 2.904 1.00 0.17 C ATOM 545 OG SER A 33 13.229 -3.018 3.247 1.00 0.21 O ATOM 0 H SER A 33 11.760 -2.824 -0.040 1.00 0.13 H new ATOM 0 HA SER A 33 10.623 -3.562 2.510 1.00 0.13 H new ATOM 0 HB2 SER A 33 12.617 -1.243 2.411 1.00 0.17 H new ATOM 0 HB3 SER A 33 11.702 -1.764 3.812 1.00 0.17 H new ATOM 0 HG SER A 33 13.873 -2.568 3.833 1.00 0.21 H new ATOM 551 N ILE A 34 8.953 -1.713 2.156 1.00 0.13 N ATOM 552 CA ILE A 34 7.945 -0.684 1.901 1.00 0.15 C ATOM 553 C ILE A 34 7.243 -0.299 3.205 1.00 0.13 C ATOM 554 O ILE A 34 6.470 -1.081 3.750 1.00 0.14 O ATOM 555 CB ILE A 34 6.861 -1.127 0.883 1.00 0.20 C ATOM 556 CG1 ILE A 34 7.465 -1.819 -0.346 1.00 0.19 C ATOM 557 CG2 ILE A 34 6.050 0.079 0.445 1.00 0.28 C ATOM 558 CD1 ILE A 34 7.727 -3.298 -0.150 1.00 0.19 C ATOM 0 H ILE A 34 8.663 -2.430 2.821 1.00 0.13 H new ATOM 0 HA ILE A 34 8.483 0.163 1.475 1.00 0.15 H new ATOM 0 HB ILE A 34 6.218 -1.852 1.382 1.00 0.20 H new ATOM 0 HG12 ILE A 34 6.791 -1.688 -1.192 1.00 0.19 H new ATOM 0 HG13 ILE A 34 8.402 -1.325 -0.605 1.00 0.19 H new ATOM 0 HG21 ILE A 34 5.289 -0.234 -0.270 1.00 0.28 H new ATOM 0 HG22 ILE A 34 5.569 0.529 1.313 1.00 0.28 H new ATOM 0 HG23 ILE A 34 6.709 0.810 -0.023 1.00 0.28 H new ATOM 0 HD11 ILE A 34 8.154 -3.716 -1.062 1.00 0.19 H new ATOM 0 HD12 ILE A 34 8.426 -3.438 0.675 1.00 0.19 H new ATOM 0 HD13 ILE A 34 6.790 -3.806 0.078 1.00 0.19 H new ATOM 570 N GLU A 35 7.529 0.896 3.704 1.00 0.14 N ATOM 571 CA GLU A 35 6.900 1.407 4.920 1.00 0.13 C ATOM 572 C GLU A 35 5.769 2.364 4.553 1.00 0.15 C ATOM 573 O GLU A 35 5.893 3.149 3.606 1.00 0.20 O ATOM 574 CB GLU A 35 7.937 2.124 5.795 1.00 0.16 C ATOM 575 CG GLU A 35 7.357 2.714 7.076 1.00 0.28 C ATOM 576 CD GLU A 35 8.359 3.538 7.863 1.00 0.45 C ATOM 577 OE1 GLU A 35 9.348 4.004 7.263 1.00 1.08 O ATOM 578 OE2 GLU A 35 8.142 3.740 9.084 1.00 1.31 O ATOM 0 H GLU A 35 8.200 1.538 3.282 1.00 0.14 H new ATOM 0 HA GLU A 35 6.489 0.570 5.485 1.00 0.13 H new ATOM 0 HB2 GLU A 35 8.728 1.421 6.055 1.00 0.16 H new ATOM 0 HB3 GLU A 35 8.399 2.923 5.215 1.00 0.16 H new ATOM 0 HG2 GLU A 35 6.500 3.339 6.825 1.00 0.28 H new ATOM 0 HG3 GLU A 35 6.987 1.905 7.706 1.00 0.28 H new ATOM 585 N PHE A 36 4.666 2.309 5.290 1.00 0.16 N ATOM 586 CA PHE A 36 3.514 3.136 4.961 1.00 0.17 C ATOM 587 C PHE A 36 3.116 4.101 6.080 1.00 0.18 C ATOM 588 O PHE A 36 3.390 3.890 7.263 1.00 0.19 O ATOM 589 CB PHE A 36 2.306 2.295 4.517 1.00 0.20 C ATOM 590 CG PHE A 36 2.396 0.829 4.815 1.00 0.17 C ATOM 591 CD1 PHE A 36 3.227 0.006 4.071 1.00 1.16 C ATOM 592 CD2 PHE A 36 1.632 0.271 5.821 1.00 1.25 C ATOM 593 CE1 PHE A 36 3.288 -1.345 4.326 1.00 1.13 C ATOM 594 CE2 PHE A 36 1.694 -1.080 6.080 1.00 1.33 C ATOM 595 CZ PHE A 36 2.522 -1.888 5.335 1.00 0.41 C ATOM 0 H PHE A 36 4.546 1.710 6.107 1.00 0.16 H new ATOM 0 HA PHE A 36 3.835 3.747 4.118 1.00 0.17 H new ATOM 0 HB2 PHE A 36 1.412 2.692 4.999 1.00 0.20 H new ATOM 0 HB3 PHE A 36 2.172 2.422 3.443 1.00 0.20 H new ATOM 0 HD1 PHE A 36 3.833 0.429 3.283 1.00 1.16 H new ATOM 0 HD2 PHE A 36 0.980 0.900 6.410 1.00 1.25 H new ATOM 0 HE1 PHE A 36 3.935 -1.978 3.737 1.00 1.13 H new ATOM 0 HE2 PHE A 36 1.092 -1.506 6.869 1.00 1.33 H new ATOM 0 HZ PHE A 36 2.572 -2.947 5.541 1.00 0.41 H new ATOM 605 N PHE A 37 2.462 5.168 5.647 1.00 0.21 N ATOM 606 CA PHE A 37 1.997 6.268 6.481 1.00 0.25 C ATOM 607 C PHE A 37 0.495 6.345 6.293 1.00 0.32 C ATOM 608 O PHE A 37 0.011 6.052 5.212 1.00 0.65 O ATOM 609 CB PHE A 37 2.688 7.553 5.978 1.00 0.36 C ATOM 610 CG PHE A 37 2.340 8.843 6.679 1.00 0.76 C ATOM 611 CD1 PHE A 37 1.086 9.421 6.542 1.00 1.41 C ATOM 612 CD2 PHE A 37 3.292 9.501 7.442 1.00 1.71 C ATOM 613 CE1 PHE A 37 0.787 10.620 7.158 1.00 1.87 C ATOM 614 CE2 PHE A 37 3.000 10.705 8.053 1.00 2.22 C ATOM 615 CZ PHE A 37 1.744 11.264 7.913 1.00 2.02 C ATOM 0 H PHE A 37 2.230 5.297 4.662 1.00 0.21 H new ATOM 0 HA PHE A 37 2.229 6.135 7.538 1.00 0.25 H new ATOM 0 HB2 PHE A 37 3.766 7.408 6.052 1.00 0.36 H new ATOM 0 HB3 PHE A 37 2.454 7.670 4.920 1.00 0.36 H new ATOM 0 HD1 PHE A 37 0.334 8.926 5.946 1.00 1.41 H new ATOM 0 HD2 PHE A 37 4.274 9.067 7.560 1.00 1.71 H new ATOM 0 HE1 PHE A 37 -0.196 11.053 7.048 1.00 1.87 H new ATOM 0 HE2 PHE A 37 3.753 11.209 8.640 1.00 2.22 H new ATOM 0 HZ PHE A 37 1.513 12.203 8.394 1.00 2.02 H new ATOM 625 N VAL A 38 -0.246 6.683 7.316 1.00 0.20 N ATOM 626 CA VAL A 38 -1.680 6.825 7.144 1.00 0.18 C ATOM 627 C VAL A 38 -2.102 8.261 7.402 1.00 0.18 C ATOM 628 O VAL A 38 -1.765 8.860 8.425 1.00 0.23 O ATOM 629 CB VAL A 38 -2.492 5.841 8.013 1.00 0.21 C ATOM 630 CG1 VAL A 38 -2.220 6.036 9.497 1.00 0.27 C ATOM 631 CG2 VAL A 38 -3.978 5.970 7.703 1.00 0.23 C ATOM 0 H VAL A 38 0.102 6.863 8.258 1.00 0.20 H new ATOM 0 HA VAL A 38 -1.904 6.569 6.108 1.00 0.18 H new ATOM 0 HB VAL A 38 -2.170 4.830 7.764 1.00 0.21 H new ATOM 0 HG11 VAL A 38 -2.812 5.324 10.072 1.00 0.27 H new ATOM 0 HG12 VAL A 38 -1.161 5.873 9.697 1.00 0.27 H new ATOM 0 HG13 VAL A 38 -2.492 7.051 9.787 1.00 0.27 H new ATOM 0 HG21 VAL A 38 -4.541 5.271 8.322 1.00 0.23 H new ATOM 0 HG22 VAL A 38 -4.307 6.988 7.914 1.00 0.23 H new ATOM 0 HG23 VAL A 38 -4.151 5.744 6.651 1.00 0.23 H new ATOM 641 N ASP A 39 -2.839 8.802 6.455 1.00 0.17 N ATOM 642 CA ASP A 39 -3.172 10.215 6.441 1.00 0.21 C ATOM 643 C ASP A 39 -4.661 10.389 6.200 1.00 0.23 C ATOM 644 O ASP A 39 -5.138 10.237 5.073 1.00 0.25 O ATOM 645 CB ASP A 39 -2.370 10.928 5.351 1.00 0.25 C ATOM 646 CG ASP A 39 -2.549 12.431 5.372 1.00 0.30 C ATOM 647 OD1 ASP A 39 -1.781 13.111 6.079 1.00 1.13 O ATOM 648 OD2 ASP A 39 -3.434 12.942 4.653 1.00 1.16 O ATOM 0 H ASP A 39 -3.226 8.276 5.671 1.00 0.17 H new ATOM 0 HA ASP A 39 -2.918 10.654 7.406 1.00 0.21 H new ATOM 0 HB2 ASP A 39 -1.313 10.692 5.472 1.00 0.25 H new ATOM 0 HB3 ASP A 39 -2.672 10.545 4.376 1.00 0.25 H new ATOM 653 N GLY A 40 -5.397 10.668 7.265 1.00 0.26 N ATOM 654 CA GLY A 40 -6.838 10.755 7.169 1.00 0.31 C ATOM 655 C GLY A 40 -7.459 9.391 6.949 1.00 0.27 C ATOM 656 O GLY A 40 -7.729 8.661 7.902 1.00 0.32 O ATOM 0 H GLY A 40 -5.020 10.836 8.198 1.00 0.26 H new ATOM 0 HA2 GLY A 40 -7.239 11.197 8.081 1.00 0.31 H new ATOM 0 HA3 GLY A 40 -7.110 11.418 6.348 1.00 0.31 H new ATOM 660 N ASP A 41 -7.665 9.043 5.687 1.00 0.25 N ATOM 661 CA ASP A 41 -8.197 7.734 5.324 1.00 0.25 C ATOM 662 C ASP A 41 -7.200 7.014 4.430 1.00 0.22 C ATOM 663 O ASP A 41 -7.329 5.824 4.166 1.00 0.30 O ATOM 664 CB ASP A 41 -9.521 7.868 4.559 1.00 0.36 C ATOM 665 CG ASP A 41 -10.483 8.851 5.191 1.00 1.20 C ATOM 666 OD1 ASP A 41 -10.423 10.051 4.842 1.00 2.00 O ATOM 667 OD2 ASP A 41 -11.316 8.435 6.024 1.00 1.84 O ATOM 0 H ASP A 41 -7.471 9.652 4.892 1.00 0.25 H new ATOM 0 HA ASP A 41 -8.370 7.173 6.243 1.00 0.25 H new ATOM 0 HB2 ASP A 41 -9.311 8.182 3.537 1.00 0.36 H new ATOM 0 HB3 ASP A 41 -9.999 6.890 4.500 1.00 0.36 H new ATOM 672 N LYS A 42 -6.189 7.744 3.992 1.00 0.21 N ATOM 673 CA LYS A 42 -5.318 7.292 2.925 1.00 0.24 C ATOM 674 C LYS A 42 -4.042 6.667 3.476 1.00 0.17 C ATOM 675 O LYS A 42 -3.637 6.946 4.602 1.00 0.17 O ATOM 676 CB LYS A 42 -4.990 8.486 2.017 1.00 0.36 C ATOM 677 CG LYS A 42 -3.513 8.649 1.701 1.00 0.31 C ATOM 678 CD LYS A 42 -3.245 9.912 0.899 1.00 0.31 C ATOM 679 CE LYS A 42 -3.692 11.156 1.653 1.00 0.73 C ATOM 680 NZ LYS A 42 -3.435 12.408 0.891 1.00 1.05 N ATOM 0 H LYS A 42 -5.951 8.663 4.365 1.00 0.21 H new ATOM 0 HA LYS A 42 -5.829 6.520 2.350 1.00 0.24 H new ATOM 0 HB2 LYS A 42 -5.539 8.377 1.082 1.00 0.36 H new ATOM 0 HB3 LYS A 42 -5.350 9.398 2.493 1.00 0.36 H new ATOM 0 HG2 LYS A 42 -2.944 8.680 2.630 1.00 0.31 H new ATOM 0 HG3 LYS A 42 -3.163 7.782 1.141 1.00 0.31 H new ATOM 0 HD2 LYS A 42 -2.181 9.983 0.675 1.00 0.31 H new ATOM 0 HD3 LYS A 42 -3.768 9.856 -0.056 1.00 0.31 H new ATOM 0 HE2 LYS A 42 -4.757 11.081 1.873 1.00 0.73 H new ATOM 0 HE3 LYS A 42 -3.172 11.204 2.610 1.00 0.73 H new ATOM 0 HZ1 LYS A 42 -3.757 13.225 1.447 1.00 1.05 H new ATOM 0 HZ2 LYS A 42 -2.416 12.497 0.703 1.00 1.05 H new ATOM 0 HZ3 LYS A 42 -3.952 12.378 -0.011 1.00 1.05 H new ATOM 694 N ILE A 43 -3.411 5.835 2.665 1.00 0.16 N ATOM 695 CA ILE A 43 -2.159 5.203 3.043 1.00 0.14 C ATOM 696 C ILE A 43 -1.049 5.675 2.098 1.00 0.15 C ATOM 697 O ILE A 43 -1.292 5.895 0.913 1.00 0.17 O ATOM 698 CB ILE A 43 -2.274 3.660 2.981 1.00 0.15 C ATOM 699 CG1 ILE A 43 -3.402 3.152 3.892 1.00 0.14 C ATOM 700 CG2 ILE A 43 -0.957 3.003 3.364 1.00 0.18 C ATOM 701 CD1 ILE A 43 -3.033 3.084 5.363 1.00 0.15 C ATOM 0 H ILE A 43 -3.747 5.581 1.736 1.00 0.16 H new ATOM 0 HA ILE A 43 -1.922 5.486 4.069 1.00 0.14 H new ATOM 0 HB ILE A 43 -2.513 3.388 1.953 1.00 0.15 H new ATOM 0 HG12 ILE A 43 -4.268 3.804 3.776 1.00 0.14 H new ATOM 0 HG13 ILE A 43 -3.703 2.159 3.559 1.00 0.14 H new ATOM 0 HG21 ILE A 43 -1.063 1.919 3.313 1.00 0.18 H new ATOM 0 HG22 ILE A 43 -0.176 3.324 2.675 1.00 0.18 H new ATOM 0 HG23 ILE A 43 -0.687 3.294 4.379 1.00 0.18 H new ATOM 0 HD11 ILE A 43 -3.885 2.716 5.935 1.00 0.15 H new ATOM 0 HD12 ILE A 43 -2.188 2.409 5.495 1.00 0.15 H new ATOM 0 HD13 ILE A 43 -2.761 4.079 5.716 1.00 0.15 H new ATOM 713 N ILE A 44 0.155 5.838 2.628 1.00 0.14 N ATOM 714 CA ILE A 44 1.267 6.410 1.877 1.00 0.16 C ATOM 715 C ILE A 44 2.507 5.521 1.982 1.00 0.16 C ATOM 716 O ILE A 44 3.123 5.435 3.043 1.00 0.22 O ATOM 717 CB ILE A 44 1.606 7.818 2.413 1.00 0.20 C ATOM 718 CG1 ILE A 44 0.338 8.680 2.464 1.00 0.28 C ATOM 719 CG2 ILE A 44 2.670 8.476 1.546 1.00 0.22 C ATOM 720 CD1 ILE A 44 0.507 9.977 3.225 1.00 0.27 C ATOM 0 H ILE A 44 0.389 5.579 3.586 1.00 0.14 H new ATOM 0 HA ILE A 44 0.966 6.479 0.832 1.00 0.16 H new ATOM 0 HB ILE A 44 2.003 7.724 3.424 1.00 0.20 H new ATOM 0 HG12 ILE A 44 0.024 8.907 1.445 1.00 0.28 H new ATOM 0 HG13 ILE A 44 -0.464 8.102 2.924 1.00 0.28 H new ATOM 0 HG21 ILE A 44 2.897 9.467 1.938 1.00 0.22 H new ATOM 0 HG22 ILE A 44 3.574 7.867 1.554 1.00 0.22 H new ATOM 0 HG23 ILE A 44 2.302 8.565 0.524 1.00 0.22 H new ATOM 0 HD11 ILE A 44 -0.433 10.529 3.216 1.00 0.27 H new ATOM 0 HD12 ILE A 44 0.790 9.760 4.255 1.00 0.27 H new ATOM 0 HD13 ILE A 44 1.285 10.577 2.753 1.00 0.27 H new ATOM 732 N LEU A 45 2.872 4.868 0.888 1.00 0.15 N ATOM 733 CA LEU A 45 3.971 3.901 0.895 1.00 0.17 C ATOM 734 C LEU A 45 5.276 4.507 0.385 1.00 0.20 C ATOM 735 O LEU A 45 5.270 5.327 -0.536 1.00 0.26 O ATOM 736 CB LEU A 45 3.620 2.675 0.042 1.00 0.21 C ATOM 737 CG LEU A 45 2.772 1.597 0.730 1.00 0.21 C ATOM 738 CD1 LEU A 45 1.390 2.115 1.071 1.00 0.18 C ATOM 739 CD2 LEU A 45 2.664 0.365 -0.152 1.00 0.32 C ATOM 0 H LEU A 45 2.424 4.988 -0.021 1.00 0.15 H new ATOM 0 HA LEU A 45 4.116 3.601 1.933 1.00 0.17 H new ATOM 0 HB2 LEU A 45 3.088 3.016 -0.846 1.00 0.21 H new ATOM 0 HB3 LEU A 45 4.548 2.216 -0.299 1.00 0.21 H new ATOM 0 HG LEU A 45 3.271 1.327 1.661 1.00 0.21 H new ATOM 0 HD11 LEU A 45 0.816 1.326 1.557 1.00 0.18 H new ATOM 0 HD12 LEU A 45 1.477 2.968 1.744 1.00 0.18 H new ATOM 0 HD13 LEU A 45 0.882 2.424 0.158 1.00 0.18 H new ATOM 0 HD21 LEU A 45 2.059 -0.390 0.350 1.00 0.32 H new ATOM 0 HD22 LEU A 45 2.195 0.635 -1.098 1.00 0.32 H new ATOM 0 HD23 LEU A 45 3.660 -0.035 -0.342 1.00 0.32 H new ATOM 751 N LYS A 46 6.385 4.101 1.010 1.00 0.19 N ATOM 752 CA LYS A 46 7.727 4.457 0.556 1.00 0.30 C ATOM 753 C LYS A 46 8.698 3.347 0.940 1.00 0.22 C ATOM 754 O LYS A 46 8.424 2.563 1.842 1.00 0.30 O ATOM 755 CB LYS A 46 8.202 5.777 1.181 1.00 0.52 C ATOM 756 CG LYS A 46 8.725 5.617 2.603 1.00 0.86 C ATOM 757 CD LYS A 46 9.337 6.903 3.128 1.00 1.04 C ATOM 758 CE LYS A 46 10.057 6.670 4.447 1.00 1.30 C ATOM 759 NZ LYS A 46 11.328 5.913 4.269 1.00 2.16 N ATOM 0 H LYS A 46 6.375 3.516 1.845 1.00 0.19 H new ATOM 0 HA LYS A 46 7.696 4.583 -0.526 1.00 0.30 H new ATOM 0 HB2 LYS A 46 8.988 6.204 0.558 1.00 0.52 H new ATOM 0 HB3 LYS A 46 7.376 6.488 1.183 1.00 0.52 H new ATOM 0 HG2 LYS A 46 7.909 5.309 3.257 1.00 0.86 H new ATOM 0 HG3 LYS A 46 9.471 4.823 2.628 1.00 0.86 H new ATOM 0 HD2 LYS A 46 10.037 7.302 2.394 1.00 1.04 H new ATOM 0 HD3 LYS A 46 8.556 7.652 3.264 1.00 1.04 H new ATOM 0 HE2 LYS A 46 10.271 7.630 4.917 1.00 1.30 H new ATOM 0 HE3 LYS A 46 9.402 6.122 5.125 1.00 1.30 H new ATOM 0 HZ1 LYS A 46 11.688 5.616 5.198 1.00 2.16 H new ATOM 0 HZ2 LYS A 46 11.152 5.073 3.681 1.00 2.16 H new ATOM 0 HZ3 LYS A 46 12.032 6.521 3.803 1.00 2.16 H new ATOM 773 N LYS A 47 9.822 3.281 0.256 1.00 0.27 N ATOM 774 CA LYS A 47 10.881 2.340 0.614 1.00 0.28 C ATOM 775 C LYS A 47 11.527 2.811 1.924 1.00 0.25 C ATOM 776 O LYS A 47 11.556 4.011 2.203 1.00 0.32 O ATOM 777 CB LYS A 47 11.907 2.257 -0.533 1.00 0.37 C ATOM 778 CG LYS A 47 12.643 0.921 -0.654 1.00 0.41 C ATOM 779 CD LYS A 47 13.758 0.771 0.371 1.00 0.36 C ATOM 780 CE LYS A 47 14.424 -0.597 0.292 1.00 0.52 C ATOM 781 NZ LYS A 47 15.131 -0.815 -0.998 1.00 0.39 N ATOM 0 H LYS A 47 10.032 3.866 -0.553 1.00 0.27 H new ATOM 0 HA LYS A 47 10.477 1.339 0.765 1.00 0.28 H new ATOM 0 HB2 LYS A 47 11.393 2.457 -1.473 1.00 0.37 H new ATOM 0 HB3 LYS A 47 12.644 3.049 -0.398 1.00 0.37 H new ATOM 0 HG2 LYS A 47 11.930 0.106 -0.532 1.00 0.41 H new ATOM 0 HG3 LYS A 47 13.062 0.831 -1.656 1.00 0.41 H new ATOM 0 HD2 LYS A 47 14.505 1.548 0.210 1.00 0.36 H new ATOM 0 HD3 LYS A 47 13.353 0.920 1.372 1.00 0.36 H new ATOM 0 HE2 LYS A 47 15.134 -0.699 1.113 1.00 0.52 H new ATOM 0 HE3 LYS A 47 13.670 -1.373 0.424 1.00 0.52 H new ATOM 0 HZ1 LYS A 47 15.650 -1.715 -0.961 1.00 0.39 H new ATOM 0 HZ2 LYS A 47 14.438 -0.846 -1.773 1.00 0.39 H new ATOM 0 HZ3 LYS A 47 15.800 -0.036 -1.163 1.00 0.39 H new ATOM 795 N TYR A 48 12.019 1.879 2.733 1.00 0.22 N ATOM 796 CA TYR A 48 12.546 2.214 4.057 1.00 0.22 C ATOM 797 C TYR A 48 13.813 3.060 3.940 1.00 0.27 C ATOM 798 O TYR A 48 13.904 4.144 4.520 1.00 0.32 O ATOM 799 CB TYR A 48 12.837 0.927 4.834 1.00 0.23 C ATOM 800 CG TYR A 48 13.428 1.148 6.209 1.00 0.30 C ATOM 801 CD1 TYR A 48 12.624 1.497 7.287 1.00 1.15 C ATOM 802 CD2 TYR A 48 14.792 1.000 6.428 1.00 1.16 C ATOM 803 CE1 TYR A 48 13.165 1.696 8.545 1.00 1.17 C ATOM 804 CE2 TYR A 48 15.340 1.194 7.680 1.00 1.25 C ATOM 805 CZ TYR A 48 14.524 1.542 8.734 1.00 0.58 C ATOM 806 OH TYR A 48 15.071 1.736 9.984 1.00 0.74 O ATOM 0 H TYR A 48 12.065 0.887 2.499 1.00 0.22 H new ATOM 0 HA TYR A 48 11.799 2.798 4.594 1.00 0.22 H new ATOM 0 HB2 TYR A 48 11.911 0.361 4.936 1.00 0.23 H new ATOM 0 HB3 TYR A 48 13.523 0.312 4.251 1.00 0.23 H new ATOM 0 HD1 TYR A 48 11.560 1.615 7.141 1.00 1.15 H new ATOM 0 HD2 TYR A 48 15.435 0.728 5.604 1.00 1.16 H new ATOM 0 HE1 TYR A 48 12.529 1.970 9.373 1.00 1.17 H new ATOM 0 HE2 TYR A 48 16.402 1.074 7.832 1.00 1.25 H new ATOM 0 HH TYR A 48 16.039 1.587 9.944 1.00 0.74 H new ATOM 816 N LYS A 49 14.772 2.534 3.188 1.00 0.33 N ATOM 817 CA LYS A 49 16.062 3.181 2.949 1.00 0.49 C ATOM 818 C LYS A 49 15.939 4.676 2.597 1.00 0.57 C ATOM 819 O LYS A 49 16.497 5.511 3.307 1.00 0.64 O ATOM 820 CB LYS A 49 16.793 2.424 1.837 1.00 0.63 C ATOM 821 CG LYS A 49 18.193 2.931 1.539 1.00 0.91 C ATOM 822 CD LYS A 49 19.138 2.704 2.704 1.00 2.03 C ATOM 823 CE LYS A 49 20.571 2.976 2.298 1.00 2.39 C ATOM 824 NZ LYS A 49 20.972 2.146 1.133 1.00 2.86 N ATOM 0 H LYS A 49 14.677 1.633 2.719 1.00 0.33 H new ATOM 0 HA LYS A 49 16.631 3.142 3.878 1.00 0.49 H new ATOM 0 HB2 LYS A 49 16.853 1.371 2.112 1.00 0.63 H new ATOM 0 HB3 LYS A 49 16.199 2.482 0.925 1.00 0.63 H new ATOM 0 HG2 LYS A 49 18.581 2.427 0.654 1.00 0.91 H new ATOM 0 HG3 LYS A 49 18.152 3.995 1.307 1.00 0.91 H new ATOM 0 HD2 LYS A 49 18.861 3.354 3.534 1.00 2.03 H new ATOM 0 HD3 LYS A 49 19.045 1.677 3.058 1.00 2.03 H new ATOM 0 HE2 LYS A 49 20.687 4.031 2.052 1.00 2.39 H new ATOM 0 HE3 LYS A 49 21.234 2.770 3.138 1.00 2.39 H new ATOM 0 HZ1 LYS A 49 22.004 2.020 1.135 1.00 2.86 H new ATOM 0 HZ2 LYS A 49 20.510 1.216 1.194 1.00 2.86 H new ATOM 0 HZ3 LYS A 49 20.683 2.620 0.253 1.00 2.86 H new ATOM 838 N PRO A 50 15.231 5.049 1.500 1.00 0.64 N ATOM 839 CA PRO A 50 15.094 6.456 1.098 1.00 0.86 C ATOM 840 C PRO A 50 14.513 7.325 2.208 1.00 0.91 C ATOM 841 O PRO A 50 13.418 7.059 2.721 1.00 1.81 O ATOM 842 CB PRO A 50 14.135 6.406 -0.094 1.00 1.03 C ATOM 843 CG PRO A 50 14.276 5.027 -0.628 1.00 0.79 C ATOM 844 CD PRO A 50 14.529 4.155 0.566 1.00 0.59 C ATOM 0 HA PRO A 50 16.061 6.900 0.862 1.00 0.86 H new ATOM 0 HB2 PRO A 50 13.109 6.610 0.213 1.00 1.03 H new ATOM 0 HB3 PRO A 50 14.397 7.151 -0.845 1.00 1.03 H new ATOM 0 HG2 PRO A 50 13.374 4.717 -1.155 1.00 0.79 H new ATOM 0 HG3 PRO A 50 15.099 4.965 -1.340 1.00 0.79 H new ATOM 0 HD2 PRO A 50 13.599 3.779 0.993 1.00 0.59 H new ATOM 0 HD3 PRO A 50 15.136 3.287 0.308 1.00 0.59 H new ATOM 852 N HIS A 51 15.257 8.356 2.575 1.00 0.98 N ATOM 853 CA HIS A 51 14.835 9.272 3.620 1.00 1.17 C ATOM 854 C HIS A 51 13.887 10.313 3.046 1.00 1.76 C ATOM 855 O HIS A 51 14.317 11.281 2.422 1.00 2.56 O ATOM 856 CB HIS A 51 16.049 9.951 4.257 1.00 2.12 C ATOM 857 CG HIS A 51 15.723 10.745 5.484 1.00 2.93 C ATOM 858 ND1 HIS A 51 15.931 10.266 6.756 1.00 3.83 N ATOM 859 CD2 HIS A 51 15.203 11.987 5.631 1.00 3.56 C ATOM 860 CE1 HIS A 51 15.556 11.177 7.635 1.00 4.69 C ATOM 861 NE2 HIS A 51 15.110 12.231 6.977 1.00 4.56 N ATOM 0 H HIS A 51 16.162 8.580 2.161 1.00 0.98 H new ATOM 0 HA HIS A 51 14.312 8.707 4.392 1.00 1.17 H new ATOM 0 HB2 HIS A 51 16.786 9.190 4.513 1.00 2.12 H new ATOM 0 HB3 HIS A 51 16.513 10.609 3.522 1.00 2.12 H new ATOM 0 HD2 HIS A 51 14.915 12.660 4.836 1.00 3.56 H new ATOM 0 HE1 HIS A 51 15.606 11.077 8.709 1.00 4.69 H new ATOM 0 HE2 HIS A 51 14.754 13.088 7.401 1.00 4.56 H new ATOM 870 N GLY A 52 12.601 10.095 3.244 1.00 2.14 N ATOM 871 CA GLY A 52 11.611 11.023 2.747 1.00 3.14 C ATOM 872 C GLY A 52 10.980 11.812 3.869 1.00 2.89 C ATOM 873 O GLY A 52 11.674 12.514 4.606 1.00 3.06 O ATOM 0 H GLY A 52 12.222 9.289 3.742 1.00 2.14 H new ATOM 0 HA2 GLY A 52 12.076 11.707 2.037 1.00 3.14 H new ATOM 0 HA3 GLY A 52 10.839 10.477 2.205 1.00 3.14 H new ATOM 877 N VAL A 53 9.673 11.691 4.016 1.00 2.85 N ATOM 878 CA VAL A 53 8.974 12.354 5.098 1.00 2.75 C ATOM 879 C VAL A 53 8.288 11.329 5.998 1.00 2.07 C ATOM 880 O VAL A 53 7.690 10.358 5.523 1.00 1.96 O ATOM 881 CB VAL A 53 7.945 13.385 4.577 1.00 3.40 C ATOM 882 CG1 VAL A 53 6.861 12.722 3.734 1.00 3.54 C ATOM 883 CG2 VAL A 53 7.337 14.156 5.739 1.00 3.58 C ATOM 0 H VAL A 53 9.076 11.140 3.399 1.00 2.85 H new ATOM 0 HA VAL A 53 9.718 12.898 5.680 1.00 2.75 H new ATOM 0 HB VAL A 53 8.471 14.087 3.930 1.00 3.40 H new ATOM 0 HG11 VAL A 53 6.157 13.478 3.386 1.00 3.54 H new ATOM 0 HG12 VAL A 53 7.318 12.229 2.876 1.00 3.54 H new ATOM 0 HG13 VAL A 53 6.332 11.984 4.337 1.00 3.54 H new ATOM 0 HG21 VAL A 53 6.615 14.878 5.358 1.00 3.58 H new ATOM 0 HG22 VAL A 53 6.835 13.462 6.413 1.00 3.58 H new ATOM 0 HG23 VAL A 53 8.125 14.681 6.279 1.00 3.58 H new ATOM 893 N CYS A 54 8.390 11.551 7.296 1.00 1.91 N ATOM 894 CA CYS A 54 7.848 10.639 8.287 1.00 1.51 C ATOM 895 C CYS A 54 7.609 11.385 9.596 1.00 2.04 C ATOM 896 O CYS A 54 8.596 11.719 10.284 1.00 2.71 O ATOM 897 CB CYS A 54 8.792 9.447 8.497 1.00 1.90 C ATOM 898 SG CYS A 54 10.545 9.890 8.612 1.00 2.87 S ATOM 899 OXT CYS A 54 6.435 11.670 9.914 1.00 2.46 O ATOM 0 H CYS A 54 8.851 12.369 7.693 1.00 1.91 H new ATOM 0 HA CYS A 54 6.895 10.249 7.929 1.00 1.51 H new ATOM 0 HB2 CYS A 54 8.501 8.925 9.409 1.00 1.90 H new ATOM 0 HB3 CYS A 54 8.661 8.746 7.673 1.00 1.90 H new ATOM 0 HG CYS A 54 11.253 8.815 8.791 1.00 2.87 H new TER 905 CYS A 54 ATOM 906 N MET B 1 8.958 4.270 11.528 1.00 2.43 N ATOM 907 CA MET B 1 9.277 5.719 11.547 1.00 1.54 C ATOM 908 C MET B 1 8.031 6.551 11.254 1.00 1.28 C ATOM 909 O MET B 1 7.872 7.654 11.778 1.00 1.95 O ATOM 910 CB MET B 1 10.364 6.039 10.515 1.00 1.98 C ATOM 911 CG MET B 1 11.706 5.396 10.821 1.00 2.66 C ATOM 912 SD MET B 1 12.951 5.735 9.558 1.00 3.87 S ATOM 913 CE MET B 1 14.389 4.969 10.305 1.00 4.74 C ATOM 0 H1 MET B 1 9.693 3.746 12.045 1.00 2.43 H new ATOM 0 H2 MET B 1 8.036 4.112 11.982 1.00 2.43 H new ATOM 0 H3 MET B 1 8.922 3.935 10.544 1.00 2.43 H new ATOM 0 HA MET B 1 9.642 5.972 12.543 1.00 1.54 H new ATOM 0 HB2 MET B 1 10.028 5.708 9.532 1.00 1.98 H new ATOM 0 HB3 MET B 1 10.493 7.120 10.460 1.00 1.98 H new ATOM 0 HG2 MET B 1 12.065 5.757 11.785 1.00 2.66 H new ATOM 0 HG3 MET B 1 11.574 4.318 10.914 1.00 2.66 H new ATOM 0 HE1 MET B 1 15.157 4.819 9.546 1.00 4.74 H new ATOM 0 HE2 MET B 1 14.778 5.615 11.092 1.00 4.74 H new ATOM 0 HE3 MET B 1 14.108 4.006 10.732 1.00 4.74 H new ATOM 925 N LYS B 2 7.149 6.011 10.422 1.00 0.96 N ATOM 926 CA LYS B 2 5.970 6.739 9.970 1.00 0.62 C ATOM 927 C LYS B 2 4.791 6.603 10.930 1.00 0.56 C ATOM 928 O LYS B 2 4.916 6.033 12.015 1.00 0.73 O ATOM 929 CB LYS B 2 5.568 6.244 8.582 1.00 0.60 C ATOM 930 CG LYS B 2 6.674 6.437 7.566 1.00 0.66 C ATOM 931 CD LYS B 2 6.145 6.952 6.239 1.00 0.87 C ATOM 932 CE LYS B 2 6.125 5.864 5.184 1.00 1.74 C ATOM 933 NZ LYS B 2 5.571 6.349 3.890 1.00 2.31 N ATOM 0 H LYS B 2 7.229 5.067 10.045 1.00 0.96 H new ATOM 0 HA LYS B 2 6.233 7.796 9.935 1.00 0.62 H new ATOM 0 HB2 LYS B 2 5.306 5.187 8.636 1.00 0.60 H new ATOM 0 HB3 LYS B 2 4.676 6.777 8.252 1.00 0.60 H new ATOM 0 HG2 LYS B 2 7.409 7.139 7.960 1.00 0.66 H new ATOM 0 HG3 LYS B 2 7.190 5.490 7.408 1.00 0.66 H new ATOM 0 HD2 LYS B 2 5.137 7.344 6.376 1.00 0.87 H new ATOM 0 HD3 LYS B 2 6.766 7.780 5.896 1.00 0.87 H new ATOM 0 HE2 LYS B 2 7.138 5.492 5.028 1.00 1.74 H new ATOM 0 HE3 LYS B 2 5.529 5.024 5.541 1.00 1.74 H new ATOM 0 HZ1 LYS B 2 6.032 5.847 3.105 1.00 2.31 H new ATOM 0 HZ2 LYS B 2 4.547 6.169 3.862 1.00 2.31 H new ATOM 0 HZ3 LYS B 2 5.746 7.370 3.798 1.00 2.31 H new ATOM 947 N SER B 3 3.652 7.158 10.509 1.00 0.42 N ATOM 948 CA SER B 3 2.398 7.079 11.255 1.00 0.40 C ATOM 949 C SER B 3 2.101 5.653 11.682 1.00 0.37 C ATOM 950 O SER B 3 1.874 5.375 12.858 1.00 0.50 O ATOM 951 CB SER B 3 1.263 7.597 10.380 1.00 0.39 C ATOM 952 OG SER B 3 1.471 8.952 10.044 1.00 1.00 O ATOM 0 H SER B 3 3.576 7.678 9.635 1.00 0.42 H new ATOM 0 HA SER B 3 2.490 7.689 12.154 1.00 0.40 H new ATOM 0 HB2 SER B 3 1.195 6.998 9.472 1.00 0.39 H new ATOM 0 HB3 SER B 3 0.314 7.489 10.905 1.00 0.39 H new ATOM 0 HG SER B 3 2.022 9.008 9.235 1.00 1.00 H new ATOM 958 N ILE B 4 2.105 4.755 10.718 1.00 0.27 N ATOM 959 CA ILE B 4 1.955 3.350 11.014 1.00 0.24 C ATOM 960 C ILE B 4 3.324 2.815 11.399 1.00 0.26 C ATOM 961 O ILE B 4 3.460 1.962 12.277 1.00 0.32 O ATOM 962 CB ILE B 4 1.394 2.555 9.811 1.00 0.22 C ATOM 963 CG1 ILE B 4 0.394 3.401 9.013 1.00 0.27 C ATOM 964 CG2 ILE B 4 0.717 1.284 10.305 1.00 0.23 C ATOM 965 CD1 ILE B 4 -0.148 2.706 7.783 1.00 0.23 C ATOM 0 H ILE B 4 2.210 4.974 9.727 1.00 0.27 H new ATOM 0 HA ILE B 4 1.239 3.230 11.827 1.00 0.24 H new ATOM 0 HB ILE B 4 2.224 2.294 9.154 1.00 0.22 H new ATOM 0 HG12 ILE B 4 -0.438 3.672 9.662 1.00 0.27 H new ATOM 0 HG13 ILE B 4 0.878 4.330 8.711 1.00 0.27 H new ATOM 0 HG21 ILE B 4 0.323 0.727 9.455 1.00 0.23 H new ATOM 0 HG22 ILE B 4 1.442 0.669 10.837 1.00 0.23 H new ATOM 0 HG23 ILE B 4 -0.100 1.545 10.977 1.00 0.23 H new ATOM 0 HD11 ILE B 4 -0.848 3.366 7.271 1.00 0.23 H new ATOM 0 HD12 ILE B 4 0.675 2.459 7.112 1.00 0.23 H new ATOM 0 HD13 ILE B 4 -0.662 1.791 8.079 1.00 0.23 H new ATOM 977 N GLY B 5 4.338 3.368 10.732 1.00 0.27 N ATOM 978 CA GLY B 5 5.719 3.068 11.048 1.00 0.32 C ATOM 979 C GLY B 5 6.054 1.619 10.813 1.00 0.31 C ATOM 980 O GLY B 5 6.945 1.064 11.454 1.00 0.43 O ATOM 0 H GLY B 5 4.218 4.030 9.965 1.00 0.27 H new ATOM 0 HA2 GLY B 5 6.373 3.694 10.441 1.00 0.32 H new ATOM 0 HA3 GLY B 5 5.915 3.320 12.090 1.00 0.32 H new ATOM 984 N VAL B 6 5.342 1.013 9.885 1.00 0.20 N ATOM 985 CA VAL B 6 5.526 -0.397 9.605 1.00 0.16 C ATOM 986 C VAL B 6 6.027 -0.590 8.187 1.00 0.12 C ATOM 987 O VAL B 6 5.505 0.003 7.239 1.00 0.13 O ATOM 988 CB VAL B 6 4.232 -1.214 9.820 1.00 0.19 C ATOM 989 CG1 VAL B 6 3.836 -1.234 11.287 1.00 0.25 C ATOM 990 CG2 VAL B 6 3.099 -0.665 8.977 1.00 0.22 C ATOM 0 H VAL B 6 4.633 1.472 9.313 1.00 0.20 H new ATOM 0 HA VAL B 6 6.269 -0.768 10.311 1.00 0.16 H new ATOM 0 HB VAL B 6 4.432 -2.238 9.505 1.00 0.19 H new ATOM 0 HG11 VAL B 6 2.922 -1.816 11.409 1.00 0.25 H new ATOM 0 HG12 VAL B 6 4.636 -1.687 11.874 1.00 0.25 H new ATOM 0 HG13 VAL B 6 3.666 -0.214 11.632 1.00 0.25 H new ATOM 0 HG21 VAL B 6 2.200 -1.257 9.146 1.00 0.22 H new ATOM 0 HG22 VAL B 6 2.908 0.372 9.254 1.00 0.22 H new ATOM 0 HG23 VAL B 6 3.373 -0.714 7.923 1.00 0.22 H new ATOM 1000 N VAL B 7 7.045 -1.415 8.050 1.00 0.12 N ATOM 1001 CA VAL B 7 7.655 -1.660 6.763 1.00 0.12 C ATOM 1002 C VAL B 7 7.409 -3.102 6.340 1.00 0.12 C ATOM 1003 O VAL B 7 7.425 -4.020 7.162 1.00 0.15 O ATOM 1004 CB VAL B 7 9.171 -1.347 6.787 1.00 0.13 C ATOM 1005 CG1 VAL B 7 9.910 -2.240 7.770 1.00 0.16 C ATOM 1006 CG2 VAL B 7 9.767 -1.459 5.394 1.00 0.15 C ATOM 0 H VAL B 7 7.469 -1.930 8.822 1.00 0.12 H new ATOM 0 HA VAL B 7 7.196 -0.992 6.034 1.00 0.12 H new ATOM 0 HB VAL B 7 9.291 -0.318 7.127 1.00 0.13 H new ATOM 0 HG11 VAL B 7 10.971 -1.992 7.760 1.00 0.16 H new ATOM 0 HG12 VAL B 7 9.511 -2.086 8.773 1.00 0.16 H new ATOM 0 HG13 VAL B 7 9.779 -3.283 7.483 1.00 0.16 H new ATOM 0 HG21 VAL B 7 10.833 -1.235 5.435 1.00 0.15 H new ATOM 0 HG22 VAL B 7 9.623 -2.472 5.017 1.00 0.15 H new ATOM 0 HG23 VAL B 7 9.273 -0.751 4.729 1.00 0.15 H new ATOM 1016 N ARG B 8 7.144 -3.292 5.064 1.00 0.12 N ATOM 1017 CA ARG B 8 6.812 -4.602 4.542 1.00 0.13 C ATOM 1018 C ARG B 8 7.881 -5.083 3.590 1.00 0.13 C ATOM 1019 O ARG B 8 8.639 -4.290 3.037 1.00 0.16 O ATOM 1020 CB ARG B 8 5.459 -4.572 3.830 1.00 0.15 C ATOM 1021 CG ARG B 8 4.302 -5.059 4.686 1.00 0.30 C ATOM 1022 CD ARG B 8 4.314 -4.417 6.065 1.00 0.18 C ATOM 1023 NE ARG B 8 3.109 -4.721 6.829 1.00 0.55 N ATOM 1024 CZ ARG B 8 3.033 -4.673 8.159 1.00 0.50 C ATOM 1025 NH1 ARG B 8 4.109 -4.382 8.880 1.00 0.55 N ATOM 1026 NH2 ARG B 8 1.879 -4.930 8.764 1.00 1.09 N ATOM 0 H ARG B 8 7.152 -2.550 4.364 1.00 0.12 H new ATOM 0 HA ARG B 8 6.752 -5.294 5.382 1.00 0.13 H new ATOM 0 HB2 ARG B 8 5.253 -3.552 3.505 1.00 0.15 H new ATOM 0 HB3 ARG B 8 5.518 -5.187 2.932 1.00 0.15 H new ATOM 0 HG2 ARG B 8 3.360 -4.833 4.187 1.00 0.30 H new ATOM 0 HG3 ARG B 8 4.356 -6.143 4.789 1.00 0.30 H new ATOM 0 HD2 ARG B 8 5.188 -4.763 6.617 1.00 0.18 H new ATOM 0 HD3 ARG B 8 4.411 -3.337 5.959 1.00 0.18 H new ATOM 0 HE ARG B 8 2.271 -4.987 6.312 1.00 0.55 H new ATOM 0 HH11 ARG B 8 4.998 -4.194 8.417 1.00 0.55 H new ATOM 0 HH12 ARG B 8 4.047 -4.346 9.897 1.00 0.55 H new ATOM 0 HH21 ARG B 8 1.054 -5.163 8.211 1.00 1.09 H new ATOM 0 HH22 ARG B 8 1.818 -4.894 9.782 1.00 1.09 H new ATOM 1040 N LYS B 9 7.940 -6.385 3.423 1.00 0.13 N ATOM 1041 CA LYS B 9 8.874 -7.005 2.510 1.00 0.14 C ATOM 1042 C LYS B 9 8.086 -7.742 1.443 1.00 0.17 C ATOM 1043 O LYS B 9 7.292 -8.627 1.757 1.00 0.21 O ATOM 1044 CB LYS B 9 9.813 -7.959 3.266 1.00 0.19 C ATOM 1045 CG LYS B 9 11.126 -7.325 3.727 1.00 0.54 C ATOM 1046 CD LYS B 9 10.929 -6.018 4.494 1.00 0.26 C ATOM 1047 CE LYS B 9 10.334 -6.239 5.879 1.00 0.79 C ATOM 1048 NZ LYS B 9 11.330 -6.813 6.820 1.00 1.16 N ATOM 0 H LYS B 9 7.340 -7.045 3.918 1.00 0.13 H new ATOM 0 HA LYS B 9 9.496 -6.245 2.038 1.00 0.14 H new ATOM 0 HB2 LYS B 9 9.288 -8.350 4.137 1.00 0.19 H new ATOM 0 HB3 LYS B 9 10.041 -8.809 2.623 1.00 0.19 H new ATOM 0 HG2 LYS B 9 11.661 -8.033 4.360 1.00 0.54 H new ATOM 0 HG3 LYS B 9 11.756 -7.137 2.857 1.00 0.54 H new ATOM 0 HD2 LYS B 9 11.888 -5.509 4.591 1.00 0.26 H new ATOM 0 HD3 LYS B 9 10.275 -5.360 3.922 1.00 0.26 H new ATOM 0 HE2 LYS B 9 9.966 -5.291 6.272 1.00 0.79 H new ATOM 0 HE3 LYS B 9 9.477 -6.908 5.804 1.00 0.79 H new ATOM 0 HZ1 LYS B 9 10.915 -6.871 7.772 1.00 1.16 H new ATOM 0 HZ2 LYS B 9 11.600 -7.766 6.502 1.00 1.16 H new ATOM 0 HZ3 LYS B 9 12.173 -6.205 6.846 1.00 1.16 H new ATOM 1062 N VAL B 10 8.276 -7.329 0.199 1.00 0.16 N ATOM 1063 CA VAL B 10 7.548 -7.883 -0.933 1.00 0.18 C ATOM 1064 C VAL B 10 7.720 -9.401 -1.029 1.00 0.20 C ATOM 1065 O VAL B 10 8.773 -9.944 -0.725 1.00 0.25 O ATOM 1066 CB VAL B 10 7.978 -7.189 -2.260 1.00 0.18 C ATOM 1067 CG1 VAL B 10 7.663 -8.045 -3.471 1.00 0.20 C ATOM 1068 CG2 VAL B 10 7.291 -5.843 -2.395 1.00 0.16 C ATOM 0 H VAL B 10 8.941 -6.598 -0.055 1.00 0.16 H new ATOM 0 HA VAL B 10 6.488 -7.686 -0.770 1.00 0.18 H new ATOM 0 HB VAL B 10 9.058 -7.047 -2.218 1.00 0.18 H new ATOM 0 HG11 VAL B 10 7.978 -7.525 -4.376 1.00 0.20 H new ATOM 0 HG12 VAL B 10 8.194 -8.994 -3.394 1.00 0.20 H new ATOM 0 HG13 VAL B 10 6.590 -8.232 -3.515 1.00 0.20 H new ATOM 0 HG21 VAL B 10 7.600 -5.369 -3.326 1.00 0.16 H new ATOM 0 HG22 VAL B 10 6.210 -5.985 -2.401 1.00 0.16 H new ATOM 0 HG23 VAL B 10 7.568 -5.207 -1.554 1.00 0.16 H new ATOM 1078 N ASP B 11 6.638 -10.062 -1.398 1.00 0.18 N ATOM 1079 CA ASP B 11 6.622 -11.499 -1.647 1.00 0.20 C ATOM 1080 C ASP B 11 7.583 -11.856 -2.782 1.00 0.23 C ATOM 1081 O ASP B 11 8.698 -12.310 -2.536 1.00 0.26 O ATOM 1082 CB ASP B 11 5.174 -11.922 -1.965 1.00 0.23 C ATOM 1083 CG ASP B 11 5.048 -13.153 -2.840 1.00 0.40 C ATOM 1084 OD1 ASP B 11 5.370 -14.265 -2.383 1.00 1.22 O ATOM 1085 OD2 ASP B 11 4.592 -12.997 -3.995 1.00 1.14 O ATOM 0 H ASP B 11 5.732 -9.614 -1.536 1.00 0.18 H new ATOM 0 HA ASP B 11 6.962 -12.041 -0.765 1.00 0.20 H new ATOM 0 HB2 ASP B 11 4.650 -12.105 -1.027 1.00 0.23 H new ATOM 0 HB3 ASP B 11 4.667 -11.091 -2.456 1.00 0.23 H new ATOM 1090 N GLU B 12 7.137 -11.639 -4.015 1.00 0.24 N ATOM 1091 CA GLU B 12 7.957 -11.832 -5.212 1.00 0.28 C ATOM 1092 C GLU B 12 7.386 -10.971 -6.322 1.00 0.27 C ATOM 1093 O GLU B 12 8.112 -10.372 -7.115 1.00 0.34 O ATOM 1094 CB GLU B 12 7.954 -13.296 -5.688 1.00 0.35 C ATOM 1095 CG GLU B 12 8.390 -14.308 -4.644 1.00 0.40 C ATOM 1096 CD GLU B 12 8.562 -15.699 -5.210 1.00 0.48 C ATOM 1097 OE1 GLU B 12 7.547 -16.332 -5.577 1.00 1.22 O ATOM 1098 OE2 GLU B 12 9.715 -16.174 -5.289 1.00 1.17 O ATOM 0 H GLU B 12 6.189 -11.322 -4.216 1.00 0.24 H new ATOM 0 HA GLU B 12 8.983 -11.557 -4.968 1.00 0.28 H new ATOM 0 HB2 GLU B 12 6.949 -13.552 -6.023 1.00 0.35 H new ATOM 0 HB3 GLU B 12 8.611 -13.383 -6.554 1.00 0.35 H new ATOM 0 HG2 GLU B 12 9.331 -13.983 -4.200 1.00 0.40 H new ATOM 0 HG3 GLU B 12 7.652 -14.336 -3.842 1.00 0.40 H new ATOM 1105 N LEU B 13 6.061 -10.936 -6.370 1.00 0.26 N ATOM 1106 CA LEU B 13 5.328 -10.163 -7.364 1.00 0.26 C ATOM 1107 C LEU B 13 5.210 -8.711 -6.927 1.00 0.25 C ATOM 1108 O LEU B 13 5.067 -7.803 -7.743 1.00 0.39 O ATOM 1109 CB LEU B 13 3.925 -10.743 -7.510 1.00 0.32 C ATOM 1110 CG LEU B 13 3.836 -12.270 -7.490 1.00 0.32 C ATOM 1111 CD1 LEU B 13 2.386 -12.704 -7.375 1.00 0.90 C ATOM 1112 CD2 LEU B 13 4.474 -12.863 -8.735 1.00 0.79 C ATOM 0 H LEU B 13 5.463 -11.444 -5.719 1.00 0.26 H new ATOM 0 HA LEU B 13 5.864 -10.211 -8.312 1.00 0.26 H new ATOM 0 HB2 LEU B 13 3.303 -10.350 -6.706 1.00 0.32 H new ATOM 0 HB3 LEU B 13 3.499 -10.384 -8.447 1.00 0.32 H new ATOM 0 HG LEU B 13 4.383 -12.639 -6.623 1.00 0.32 H new ATOM 0 HD11 LEU B 13 2.332 -13.793 -7.361 1.00 0.90 H new ATOM 0 HD12 LEU B 13 1.960 -12.308 -6.453 1.00 0.90 H new ATOM 0 HD13 LEU B 13 1.824 -12.323 -8.228 1.00 0.90 H new ATOM 0 HD21 LEU B 13 4.399 -13.950 -8.700 1.00 0.79 H new ATOM 0 HD22 LEU B 13 3.957 -12.492 -9.620 1.00 0.79 H new ATOM 0 HD23 LEU B 13 5.524 -12.573 -8.779 1.00 0.79 H new ATOM 1124 N GLY B 14 5.283 -8.512 -5.626 1.00 0.15 N ATOM 1125 CA GLY B 14 5.020 -7.214 -5.050 1.00 0.13 C ATOM 1126 C GLY B 14 3.993 -7.316 -3.949 1.00 0.11 C ATOM 1127 O GLY B 14 3.671 -6.333 -3.293 1.00 0.12 O ATOM 0 H GLY B 14 5.523 -9.236 -4.949 1.00 0.15 H new ATOM 0 HA2 GLY B 14 5.944 -6.793 -4.654 1.00 0.13 H new ATOM 0 HA3 GLY B 14 4.665 -6.533 -5.823 1.00 0.13 H new ATOM 1131 N ARG B 15 3.480 -8.522 -3.753 1.00 0.11 N ATOM 1132 CA ARG B 15 2.501 -8.780 -2.707 1.00 0.11 C ATOM 1133 C ARG B 15 3.099 -8.500 -1.330 1.00 0.09 C ATOM 1134 O ARG B 15 4.164 -9.010 -1.000 1.00 0.12 O ATOM 1135 CB ARG B 15 2.026 -10.238 -2.768 1.00 0.14 C ATOM 1136 CG ARG B 15 1.416 -10.646 -4.102 1.00 0.17 C ATOM 1137 CD ARG B 15 0.805 -12.038 -4.034 1.00 0.29 C ATOM 1138 NE ARG B 15 1.808 -13.077 -3.792 1.00 1.30 N ATOM 1139 CZ ARG B 15 1.526 -14.296 -3.323 1.00 1.93 C ATOM 1140 NH1 ARG B 15 0.275 -14.626 -3.007 1.00 1.94 N ATOM 1141 NH2 ARG B 15 2.502 -15.181 -3.152 1.00 2.91 N ATOM 0 H ARG B 15 3.727 -9.341 -4.308 1.00 0.11 H new ATOM 0 HA ARG B 15 1.652 -8.116 -2.868 1.00 0.11 H new ATOM 0 HB2 ARG B 15 2.871 -10.892 -2.554 1.00 0.14 H new ATOM 0 HB3 ARG B 15 1.290 -10.401 -1.981 1.00 0.14 H new ATOM 0 HG2 ARG B 15 0.650 -9.925 -4.389 1.00 0.17 H new ATOM 0 HG3 ARG B 15 2.183 -10.622 -4.876 1.00 0.17 H new ATOM 0 HD2 ARG B 15 0.058 -12.066 -3.240 1.00 0.29 H new ATOM 0 HD3 ARG B 15 0.285 -12.250 -4.968 1.00 0.29 H new ATOM 0 HE ARG B 15 2.783 -12.856 -3.994 1.00 1.30 H new ATOM 0 HH11 ARG B 15 -0.476 -13.946 -3.122 1.00 1.94 H new ATOM 0 HH12 ARG B 15 0.068 -15.559 -2.650 1.00 1.94 H new ATOM 0 HH21 ARG B 15 3.464 -14.929 -3.379 1.00 2.91 H new ATOM 0 HH22 ARG B 15 2.289 -16.112 -2.794 1.00 2.91 H new ATOM 1155 N ILE B 16 2.420 -7.677 -0.540 1.00 0.09 N ATOM 1156 CA ILE B 16 2.842 -7.400 0.830 1.00 0.09 C ATOM 1157 C ILE B 16 1.611 -7.410 1.733 1.00 0.09 C ATOM 1158 O ILE B 16 0.495 -7.614 1.262 1.00 0.11 O ATOM 1159 CB ILE B 16 3.592 -6.042 0.981 1.00 0.11 C ATOM 1160 CG1 ILE B 16 2.608 -4.886 1.192 1.00 0.11 C ATOM 1161 CG2 ILE B 16 4.490 -5.771 -0.217 1.00 0.16 C ATOM 1162 CD1 ILE B 16 3.236 -3.511 1.077 1.00 0.14 C ATOM 0 H ILE B 16 1.572 -7.188 -0.825 1.00 0.09 H new ATOM 0 HA ILE B 16 3.549 -8.178 1.118 1.00 0.09 H new ATOM 0 HB ILE B 16 4.224 -6.114 1.866 1.00 0.11 H new ATOM 0 HG12 ILE B 16 1.804 -4.969 0.461 1.00 0.11 H new ATOM 0 HG13 ILE B 16 2.154 -4.985 2.178 1.00 0.11 H new ATOM 0 HG21 ILE B 16 4.999 -4.817 -0.082 1.00 0.16 H new ATOM 0 HG22 ILE B 16 5.229 -6.567 -0.305 1.00 0.16 H new ATOM 0 HG23 ILE B 16 3.886 -5.735 -1.124 1.00 0.16 H new ATOM 0 HD11 ILE B 16 2.474 -2.748 1.239 1.00 0.14 H new ATOM 0 HD12 ILE B 16 4.020 -3.405 1.826 1.00 0.14 H new ATOM 0 HD13 ILE B 16 3.666 -3.389 0.083 1.00 0.14 H new ATOM 1174 N VAL B 17 1.801 -7.180 3.015 1.00 0.09 N ATOM 1175 CA VAL B 17 0.690 -7.215 3.947 1.00 0.10 C ATOM 1176 C VAL B 17 0.326 -5.812 4.417 1.00 0.11 C ATOM 1177 O VAL B 17 1.105 -5.147 5.098 1.00 0.16 O ATOM 1178 CB VAL B 17 0.976 -8.139 5.162 1.00 0.14 C ATOM 1179 CG1 VAL B 17 2.344 -7.859 5.764 1.00 0.18 C ATOM 1180 CG2 VAL B 17 -0.114 -7.997 6.219 1.00 0.19 C ATOM 0 H VAL B 17 2.706 -6.968 3.435 1.00 0.09 H new ATOM 0 HA VAL B 17 -0.161 -7.634 3.410 1.00 0.10 H new ATOM 0 HB VAL B 17 0.975 -9.167 4.800 1.00 0.14 H new ATOM 0 HG11 VAL B 17 2.511 -8.523 6.612 1.00 0.18 H new ATOM 0 HG12 VAL B 17 3.114 -8.030 5.012 1.00 0.18 H new ATOM 0 HG13 VAL B 17 2.388 -6.823 6.100 1.00 0.18 H new ATOM 0 HG21 VAL B 17 0.107 -8.653 7.060 1.00 0.19 H new ATOM 0 HG22 VAL B 17 -0.153 -6.964 6.565 1.00 0.19 H new ATOM 0 HG23 VAL B 17 -1.077 -8.272 5.788 1.00 0.19 H new ATOM 1190 N MET B 18 -0.852 -5.356 4.021 1.00 0.10 N ATOM 1191 CA MET B 18 -1.372 -4.087 4.521 1.00 0.11 C ATOM 1192 C MET B 18 -1.884 -4.283 5.939 1.00 0.10 C ATOM 1193 O MET B 18 -2.259 -5.392 6.320 1.00 0.15 O ATOM 1194 CB MET B 18 -2.498 -3.546 3.636 1.00 0.18 C ATOM 1195 CG MET B 18 -2.029 -2.861 2.362 1.00 0.29 C ATOM 1196 SD MET B 18 -1.231 -1.273 2.676 1.00 0.94 S ATOM 1197 CE MET B 18 0.484 -1.689 2.416 1.00 0.54 C ATOM 0 H MET B 18 -1.463 -5.838 3.362 1.00 0.10 H new ATOM 0 HA MET B 18 -0.562 -3.358 4.507 1.00 0.11 H new ATOM 0 HB2 MET B 18 -3.159 -4.370 3.367 1.00 0.18 H new ATOM 0 HB3 MET B 18 -3.090 -2.838 4.216 1.00 0.18 H new ATOM 0 HG2 MET B 18 -1.332 -3.515 1.838 1.00 0.29 H new ATOM 0 HG3 MET B 18 -2.882 -2.709 1.701 1.00 0.29 H new ATOM 0 HE1 MET B 18 1.092 -0.787 2.487 1.00 0.54 H new ATOM 0 HE2 MET B 18 0.804 -2.404 3.174 1.00 0.54 H new ATOM 0 HE3 MET B 18 0.605 -2.131 1.427 1.00 0.54 H new ATOM 1207 N PRO B 19 -1.909 -3.222 6.745 1.00 0.12 N ATOM 1208 CA PRO B 19 -2.301 -3.323 8.130 1.00 0.13 C ATOM 1209 C PRO B 19 -3.808 -3.224 8.323 1.00 0.13 C ATOM 1210 O PRO B 19 -4.535 -2.664 7.489 1.00 0.13 O ATOM 1211 CB PRO B 19 -1.588 -2.140 8.785 1.00 0.15 C ATOM 1212 CG PRO B 19 -1.376 -1.137 7.695 1.00 0.19 C ATOM 1213 CD PRO B 19 -1.577 -1.840 6.371 1.00 0.19 C ATOM 0 HA PRO B 19 -2.034 -4.288 8.560 1.00 0.13 H new ATOM 0 HB2 PRO B 19 -2.188 -1.720 9.592 1.00 0.15 H new ATOM 0 HB3 PRO B 19 -0.638 -2.449 9.222 1.00 0.15 H new ATOM 0 HG2 PRO B 19 -2.077 -0.308 7.797 1.00 0.19 H new ATOM 0 HG3 PRO B 19 -0.373 -0.715 7.755 1.00 0.19 H new ATOM 0 HD2 PRO B 19 -2.379 -1.380 5.793 1.00 0.19 H new ATOM 0 HD3 PRO B 19 -0.677 -1.798 5.757 1.00 0.19 H new ATOM 1221 N ILE B 20 -4.281 -3.776 9.430 1.00 0.15 N ATOM 1222 CA ILE B 20 -5.668 -3.608 9.822 1.00 0.16 C ATOM 1223 C ILE B 20 -5.979 -2.121 9.958 1.00 0.16 C ATOM 1224 O ILE B 20 -7.094 -1.686 9.720 1.00 0.17 O ATOM 1225 CB ILE B 20 -5.983 -4.346 11.145 1.00 0.18 C ATOM 1226 CG1 ILE B 20 -7.381 -3.982 11.655 1.00 0.20 C ATOM 1227 CG2 ILE B 20 -4.929 -4.038 12.194 1.00 0.18 C ATOM 1228 CD1 ILE B 20 -8.494 -4.415 10.735 1.00 0.22 C ATOM 0 H ILE B 20 -3.725 -4.343 10.070 1.00 0.15 H new ATOM 0 HA ILE B 20 -6.298 -4.047 9.048 1.00 0.16 H new ATOM 0 HB ILE B 20 -5.966 -5.418 10.948 1.00 0.18 H new ATOM 0 HG12 ILE B 20 -7.532 -4.439 12.633 1.00 0.20 H new ATOM 0 HG13 ILE B 20 -7.437 -2.903 11.796 1.00 0.20 H new ATOM 0 HG21 ILE B 20 -5.169 -4.566 13.117 1.00 0.18 H new ATOM 0 HG22 ILE B 20 -3.952 -4.361 11.834 1.00 0.18 H new ATOM 0 HG23 ILE B 20 -4.909 -2.965 12.385 1.00 0.18 H new ATOM 0 HD11 ILE B 20 -9.453 -4.123 11.162 1.00 0.22 H new ATOM 0 HD12 ILE B 20 -8.369 -3.938 9.763 1.00 0.22 H new ATOM 0 HD13 ILE B 20 -8.465 -5.498 10.614 1.00 0.22 H new ATOM 1240 N GLU B 21 -4.958 -1.349 10.301 1.00 0.16 N ATOM 1241 CA GLU B 21 -5.071 0.102 10.399 1.00 0.16 C ATOM 1242 C GLU B 21 -5.494 0.701 9.062 1.00 0.16 C ATOM 1243 O GLU B 21 -6.147 1.736 9.023 1.00 0.18 O ATOM 1244 CB GLU B 21 -3.731 0.691 10.833 1.00 0.18 C ATOM 1245 CG GLU B 21 -3.088 -0.072 11.977 1.00 0.23 C ATOM 1246 CD GLU B 21 -3.913 -0.034 13.243 1.00 0.29 C ATOM 1247 OE1 GLU B 21 -3.777 0.933 14.019 1.00 1.07 O ATOM 1248 OE2 GLU B 21 -4.702 -0.975 13.465 1.00 1.06 O ATOM 0 H GLU B 21 -4.029 -1.708 10.519 1.00 0.16 H new ATOM 0 HA GLU B 21 -5.832 0.345 11.140 1.00 0.16 H new ATOM 0 HB2 GLU B 21 -3.051 0.698 9.981 1.00 0.18 H new ATOM 0 HB3 GLU B 21 -3.877 1.729 11.133 1.00 0.18 H new ATOM 0 HG2 GLU B 21 -2.938 -1.109 11.677 1.00 0.23 H new ATOM 0 HG3 GLU B 21 -2.102 0.347 12.178 1.00 0.23 H new ATOM 1255 N LEU B 22 -5.137 0.030 7.967 1.00 0.14 N ATOM 1256 CA LEU B 22 -5.548 0.462 6.638 1.00 0.15 C ATOM 1257 C LEU B 22 -6.980 0.039 6.405 1.00 0.15 C ATOM 1258 O LEU B 22 -7.790 0.781 5.851 1.00 0.17 O ATOM 1259 CB LEU B 22 -4.634 -0.132 5.557 1.00 0.15 C ATOM 1260 CG LEU B 22 -5.328 -0.514 4.239 1.00 0.19 C ATOM 1261 CD1 LEU B 22 -4.451 -0.161 3.053 1.00 0.24 C ATOM 1262 CD2 LEU B 22 -5.653 -2.006 4.219 1.00 0.18 C ATOM 0 H LEU B 22 -4.564 -0.814 7.978 1.00 0.14 H new ATOM 0 HA LEU B 22 -5.469 1.547 6.577 1.00 0.15 H new ATOM 0 HB2 LEU B 22 -3.846 0.588 5.337 1.00 0.15 H new ATOM 0 HB3 LEU B 22 -4.150 -1.020 5.963 1.00 0.15 H new ATOM 0 HG LEU B 22 -6.258 0.050 4.168 1.00 0.19 H new ATOM 0 HD11 LEU B 22 -4.959 -0.439 2.129 1.00 0.24 H new ATOM 0 HD12 LEU B 22 -4.256 0.911 3.051 1.00 0.24 H new ATOM 0 HD13 LEU B 22 -3.507 -0.702 3.125 1.00 0.24 H new ATOM 0 HD21 LEU B 22 -6.144 -2.259 3.279 1.00 0.18 H new ATOM 0 HD22 LEU B 22 -4.731 -2.580 4.313 1.00 0.18 H new ATOM 0 HD23 LEU B 22 -6.316 -2.245 5.050 1.00 0.18 H new ATOM 1274 N ARG B 23 -7.282 -1.169 6.847 1.00 0.14 N ATOM 1275 CA ARG B 23 -8.640 -1.682 6.758 1.00 0.15 C ATOM 1276 C ARG B 23 -9.586 -0.823 7.597 1.00 0.19 C ATOM 1277 O ARG B 23 -10.755 -0.653 7.255 1.00 0.23 O ATOM 1278 CB ARG B 23 -8.700 -3.151 7.198 1.00 0.16 C ATOM 1279 CG ARG B 23 -7.834 -4.070 6.350 1.00 0.16 C ATOM 1280 CD ARG B 23 -8.166 -5.542 6.579 1.00 0.35 C ATOM 1281 NE ARG B 23 -7.465 -6.119 7.724 1.00 0.64 N ATOM 1282 CZ ARG B 23 -7.997 -7.028 8.545 1.00 0.58 C ATOM 1283 NH1 ARG B 23 -9.273 -7.379 8.425 1.00 0.73 N ATOM 1284 NH2 ARG B 23 -7.254 -7.579 9.500 1.00 1.30 N ATOM 0 H ARG B 23 -6.611 -1.811 7.269 1.00 0.14 H new ATOM 0 HA ARG B 23 -8.960 -1.633 5.717 1.00 0.15 H new ATOM 0 HB2 ARG B 23 -8.384 -3.224 8.239 1.00 0.16 H new ATOM 0 HB3 ARG B 23 -9.734 -3.494 7.153 1.00 0.16 H new ATOM 0 HG2 ARG B 23 -7.972 -3.827 5.296 1.00 0.16 H new ATOM 0 HG3 ARG B 23 -6.784 -3.895 6.583 1.00 0.16 H new ATOM 0 HD2 ARG B 23 -9.241 -5.646 6.729 1.00 0.35 H new ATOM 0 HD3 ARG B 23 -7.913 -6.109 5.683 1.00 0.35 H new ATOM 0 HE ARG B 23 -6.511 -5.808 7.907 1.00 0.64 H new ATOM 0 HH11 ARG B 23 -9.853 -6.953 7.702 1.00 0.73 H new ATOM 0 HH12 ARG B 23 -9.672 -8.074 9.056 1.00 0.73 H new ATOM 0 HH21 ARG B 23 -6.277 -7.308 9.606 1.00 1.30 H new ATOM 0 HH22 ARG B 23 -7.661 -8.273 10.126 1.00 1.30 H new ATOM 1298 N ARG B 24 -9.034 -0.252 8.664 1.00 0.18 N ATOM 1299 CA ARG B 24 -9.771 0.607 9.585 1.00 0.20 C ATOM 1300 C ARG B 24 -9.828 2.024 9.040 1.00 0.22 C ATOM 1301 O ARG B 24 -10.812 2.737 9.221 1.00 0.26 O ATOM 1302 CB ARG B 24 -9.084 0.612 10.954 1.00 0.22 C ATOM 1303 CG ARG B 24 -9.192 -0.703 11.700 1.00 0.24 C ATOM 1304 CD ARG B 24 -8.270 -0.739 12.911 1.00 0.27 C ATOM 1305 NE ARG B 24 -8.604 0.285 13.900 1.00 0.41 N ATOM 1306 CZ ARG B 24 -7.802 0.640 14.908 1.00 0.67 C ATOM 1307 NH1 ARG B 24 -6.601 0.092 15.034 1.00 0.79 N ATOM 1308 NH2 ARG B 24 -8.190 1.561 15.779 1.00 0.87 N ATOM 0 H ARG B 24 -8.053 -0.374 8.916 1.00 0.18 H new ATOM 0 HA ARG B 24 -10.785 0.222 9.691 1.00 0.20 H new ATOM 0 HB2 ARG B 24 -8.030 0.857 10.820 1.00 0.22 H new ATOM 0 HB3 ARG B 24 -9.520 1.402 11.565 1.00 0.22 H new ATOM 0 HG2 ARG B 24 -10.222 -0.856 12.022 1.00 0.24 H new ATOM 0 HG3 ARG B 24 -8.943 -1.524 11.028 1.00 0.24 H new ATOM 0 HD2 ARG B 24 -8.327 -1.722 13.378 1.00 0.27 H new ATOM 0 HD3 ARG B 24 -7.240 -0.601 12.583 1.00 0.27 H new ATOM 0 HE ARG B 24 -9.504 0.757 13.815 1.00 0.41 H new ATOM 0 HH11 ARG B 24 -6.285 -0.605 14.359 1.00 0.79 H new ATOM 0 HH12 ARG B 24 -5.993 0.367 15.806 1.00 0.79 H new ATOM 0 HH21 ARG B 24 -9.104 2.002 15.681 1.00 0.87 H new ATOM 0 HH22 ARG B 24 -7.574 1.828 16.547 1.00 0.87 H new ATOM 1322 N ALA B 25 -8.749 2.413 8.377 1.00 0.20 N ATOM 1323 CA ALA B 25 -8.639 3.721 7.750 1.00 0.22 C ATOM 1324 C ALA B 25 -9.737 3.896 6.724 1.00 0.26 C ATOM 1325 O ALA B 25 -10.472 4.882 6.729 1.00 0.28 O ATOM 1326 CB ALA B 25 -7.288 3.848 7.062 1.00 0.23 C ATOM 0 H ALA B 25 -7.922 1.828 8.259 1.00 0.20 H new ATOM 0 HA ALA B 25 -8.734 4.489 8.517 1.00 0.22 H new ATOM 0 HB1 ALA B 25 -7.209 4.829 6.593 1.00 0.23 H new ATOM 0 HB2 ALA B 25 -6.493 3.732 7.798 1.00 0.23 H new ATOM 0 HB3 ALA B 25 -7.193 3.074 6.301 1.00 0.23 H new ATOM 1332 N LEU B 26 -9.844 2.905 5.858 1.00 0.28 N ATOM 1333 CA LEU B 26 -10.795 2.943 4.772 1.00 0.37 C ATOM 1334 C LEU B 26 -12.092 2.238 5.158 1.00 0.41 C ATOM 1335 O LEU B 26 -12.884 2.771 5.935 1.00 0.57 O ATOM 1336 CB LEU B 26 -10.177 2.307 3.533 1.00 0.35 C ATOM 1337 CG LEU B 26 -8.892 2.973 3.051 1.00 0.39 C ATOM 1338 CD1 LEU B 26 -8.157 2.075 2.066 1.00 0.40 C ATOM 1339 CD2 LEU B 26 -9.215 4.316 2.413 1.00 0.52 C ATOM 0 H LEU B 26 -9.276 2.058 5.890 1.00 0.28 H new ATOM 0 HA LEU B 26 -11.041 3.982 4.552 1.00 0.37 H new ATOM 0 HB2 LEU B 26 -9.970 1.258 3.744 1.00 0.35 H new ATOM 0 HB3 LEU B 26 -10.908 2.331 2.725 1.00 0.35 H new ATOM 0 HG LEU B 26 -8.239 3.137 3.908 1.00 0.39 H new ATOM 0 HD11 LEU B 26 -7.244 2.569 1.735 1.00 0.40 H new ATOM 0 HD12 LEU B 26 -7.904 1.133 2.552 1.00 0.40 H new ATOM 0 HD13 LEU B 26 -8.796 1.879 1.205 1.00 0.40 H new ATOM 0 HD21 LEU B 26 -8.294 4.787 2.071 1.00 0.52 H new ATOM 0 HD22 LEU B 26 -9.882 4.165 1.564 1.00 0.52 H new ATOM 0 HD23 LEU B 26 -9.701 4.960 3.146 1.00 0.52 H new ATOM 1351 N ASP B 27 -12.293 1.028 4.644 1.00 0.34 N ATOM 1352 CA ASP B 27 -13.531 0.286 4.885 1.00 0.42 C ATOM 1353 C ASP B 27 -13.309 -1.213 4.784 1.00 0.41 C ATOM 1354 O ASP B 27 -14.269 -1.977 4.690 1.00 0.76 O ATOM 1355 CB ASP B 27 -14.615 0.659 3.864 1.00 0.61 C ATOM 1356 CG ASP B 27 -15.277 1.996 4.117 1.00 0.68 C ATOM 1357 OD1 ASP B 27 -16.118 2.088 5.035 1.00 1.34 O ATOM 1358 OD2 ASP B 27 -14.991 2.952 3.368 1.00 1.54 O ATOM 0 H ASP B 27 -11.616 0.539 4.058 1.00 0.34 H new ATOM 0 HA ASP B 27 -13.852 0.552 5.892 1.00 0.42 H new ATOM 0 HB2 ASP B 27 -14.171 0.669 2.868 1.00 0.61 H new ATOM 0 HB3 ASP B 27 -15.380 -0.118 3.864 1.00 0.61 H new ATOM 1363 N ILE B 28 -12.060 -1.645 4.836 1.00 0.22 N ATOM 1364 CA ILE B 28 -11.732 -3.003 4.420 1.00 0.18 C ATOM 1365 C ILE B 28 -12.136 -3.995 5.487 1.00 0.23 C ATOM 1366 O ILE B 28 -11.790 -3.844 6.657 1.00 0.31 O ATOM 1367 CB ILE B 28 -10.230 -3.210 4.076 1.00 0.16 C ATOM 1368 CG1 ILE B 28 -9.778 -2.370 2.868 1.00 0.14 C ATOM 1369 CG2 ILE B 28 -9.974 -4.680 3.775 1.00 0.18 C ATOM 1370 CD1 ILE B 28 -10.061 -0.901 2.992 1.00 0.17 C ATOM 0 H ILE B 28 -11.267 -1.088 5.156 1.00 0.22 H new ATOM 0 HA ILE B 28 -12.296 -3.173 3.503 1.00 0.18 H new ATOM 0 HB ILE B 28 -9.656 -2.883 4.943 1.00 0.16 H new ATOM 0 HG12 ILE B 28 -8.707 -2.510 2.724 1.00 0.14 H new ATOM 0 HG13 ILE B 28 -10.272 -2.748 1.973 1.00 0.14 H new ATOM 0 HG21 ILE B 28 -8.921 -4.824 3.534 1.00 0.18 H new ATOM 0 HG22 ILE B 28 -10.232 -5.280 4.647 1.00 0.18 H new ATOM 0 HG23 ILE B 28 -10.586 -4.990 2.928 1.00 0.18 H new ATOM 0 HD11 ILE B 28 -9.710 -0.386 2.098 1.00 0.17 H new ATOM 0 HD12 ILE B 28 -11.134 -0.745 3.103 1.00 0.17 H new ATOM 0 HD13 ILE B 28 -9.545 -0.503 3.866 1.00 0.17 H new ATOM 1382 N ALA B 29 -12.860 -5.013 5.074 1.00 0.24 N ATOM 1383 CA ALA B 29 -13.377 -5.987 6.005 1.00 0.28 C ATOM 1384 C ALA B 29 -12.529 -7.247 5.978 1.00 0.30 C ATOM 1385 O ALA B 29 -11.961 -7.653 6.990 1.00 0.41 O ATOM 1386 CB ALA B 29 -14.826 -6.282 5.672 1.00 0.29 C ATOM 0 H ALA B 29 -13.103 -5.186 4.099 1.00 0.24 H new ATOM 0 HA ALA B 29 -13.332 -5.586 7.018 1.00 0.28 H new ATOM 0 HB1 ALA B 29 -15.218 -7.018 6.374 1.00 0.29 H new ATOM 0 HB2 ALA B 29 -15.410 -5.364 5.744 1.00 0.29 H new ATOM 0 HB3 ALA B 29 -14.893 -6.676 4.658 1.00 0.29 H new ATOM 1392 N ILE B 30 -12.420 -7.837 4.805 1.00 0.26 N ATOM 1393 CA ILE B 30 -11.642 -9.053 4.634 1.00 0.27 C ATOM 1394 C ILE B 30 -10.923 -9.014 3.292 1.00 0.24 C ATOM 1395 O ILE B 30 -9.826 -9.539 3.148 1.00 0.24 O ATOM 1396 CB ILE B 30 -12.544 -10.312 4.763 1.00 0.30 C ATOM 1397 CG1 ILE B 30 -11.718 -11.613 4.779 1.00 0.34 C ATOM 1398 CG2 ILE B 30 -13.588 -10.342 3.653 1.00 0.28 C ATOM 1399 CD1 ILE B 30 -11.458 -12.227 3.418 1.00 0.34 C ATOM 0 H ILE B 30 -12.861 -7.495 3.951 1.00 0.26 H new ATOM 0 HA ILE B 30 -10.894 -9.113 5.425 1.00 0.27 H new ATOM 0 HB ILE B 30 -13.060 -10.248 5.721 1.00 0.30 H new ATOM 0 HG12 ILE B 30 -10.760 -11.411 5.258 1.00 0.34 H new ATOM 0 HG13 ILE B 30 -12.235 -12.346 5.398 1.00 0.34 H new ATOM 0 HG21 ILE B 30 -14.209 -11.231 3.762 1.00 0.28 H new ATOM 0 HG22 ILE B 30 -14.214 -9.452 3.718 1.00 0.28 H new ATOM 0 HG23 ILE B 30 -13.089 -10.364 2.684 1.00 0.28 H new ATOM 0 HD11 ILE B 30 -10.870 -13.137 3.536 1.00 0.34 H new ATOM 0 HD12 ILE B 30 -12.408 -12.468 2.940 1.00 0.34 H new ATOM 0 HD13 ILE B 30 -10.909 -11.518 2.798 1.00 0.34 H new ATOM 1411 N LYS B 31 -11.547 -8.361 2.323 1.00 0.21 N ATOM 1412 CA LYS B 31 -10.952 -8.150 1.013 1.00 0.19 C ATOM 1413 C LYS B 31 -11.161 -6.702 0.591 1.00 0.16 C ATOM 1414 O LYS B 31 -10.213 -5.985 0.276 1.00 0.15 O ATOM 1415 CB LYS B 31 -11.575 -9.086 -0.031 1.00 0.22 C ATOM 1416 CG LYS B 31 -11.571 -10.550 0.380 1.00 0.29 C ATOM 1417 CD LYS B 31 -11.798 -11.471 -0.806 1.00 0.37 C ATOM 1418 CE LYS B 31 -10.665 -11.357 -1.809 1.00 0.47 C ATOM 1419 NZ LYS B 31 -10.822 -12.303 -2.943 1.00 1.38 N ATOM 0 H LYS B 31 -12.481 -7.963 2.423 1.00 0.21 H new ATOM 0 HA LYS B 31 -9.886 -8.369 1.076 1.00 0.19 H new ATOM 0 HB2 LYS B 31 -12.602 -8.774 -0.219 1.00 0.22 H new ATOM 0 HB3 LYS B 31 -11.033 -8.980 -0.970 1.00 0.22 H new ATOM 0 HG2 LYS B 31 -10.618 -10.792 0.851 1.00 0.29 H new ATOM 0 HG3 LYS B 31 -12.348 -10.720 1.126 1.00 0.29 H new ATOM 0 HD2 LYS B 31 -11.880 -12.501 -0.460 1.00 0.37 H new ATOM 0 HD3 LYS B 31 -12.743 -11.221 -1.289 1.00 0.37 H new ATOM 0 HE2 LYS B 31 -10.622 -10.337 -2.192 1.00 0.47 H new ATOM 0 HE3 LYS B 31 -9.717 -11.549 -1.307 1.00 0.47 H new ATOM 0 HZ1 LYS B 31 -10.026 -12.190 -3.602 1.00 1.38 H new ATOM 0 HZ2 LYS B 31 -10.837 -13.278 -2.582 1.00 1.38 H new ATOM 0 HZ3 LYS B 31 -11.714 -12.104 -3.440 1.00 1.38 H new ATOM 1433 N ASP B 32 -12.417 -6.283 0.639 1.00 0.16 N ATOM 1434 CA ASP B 32 -12.842 -4.947 0.225 1.00 0.15 C ATOM 1435 C ASP B 32 -12.155 -4.456 -1.051 1.00 0.15 C ATOM 1436 O ASP B 32 -12.297 -5.076 -2.104 1.00 0.19 O ATOM 1437 CB ASP B 32 -12.668 -3.950 1.366 1.00 0.15 C ATOM 1438 CG ASP B 32 -13.989 -3.606 2.011 1.00 0.20 C ATOM 1439 OD1 ASP B 32 -14.544 -4.472 2.723 1.00 1.05 O ATOM 1440 OD2 ASP B 32 -14.477 -2.476 1.811 1.00 1.17 O ATOM 0 H ASP B 32 -13.184 -6.868 0.971 1.00 0.16 H new ATOM 0 HA ASP B 32 -13.901 -5.022 -0.020 1.00 0.15 H new ATOM 0 HB2 ASP B 32 -11.995 -4.367 2.115 1.00 0.15 H new ATOM 0 HB3 ASP B 32 -12.200 -3.041 0.988 1.00 0.15 H new ATOM 1445 N SER B 33 -11.420 -3.345 -0.967 1.00 0.14 N ATOM 1446 CA SER B 33 -10.837 -2.713 -2.155 1.00 0.14 C ATOM 1447 C SER B 33 -9.768 -1.692 -1.760 1.00 0.13 C ATOM 1448 O SER B 33 -9.998 -0.866 -0.878 1.00 0.15 O ATOM 1449 CB SER B 33 -11.921 -1.980 -2.956 1.00 0.18 C ATOM 1450 OG SER B 33 -12.972 -2.844 -3.353 1.00 0.24 O ATOM 0 H SER B 33 -11.214 -2.864 -0.091 1.00 0.14 H new ATOM 0 HA SER B 33 -10.389 -3.502 -2.759 1.00 0.14 H new ATOM 0 HB2 SER B 33 -12.329 -1.168 -2.353 1.00 0.18 H new ATOM 0 HB3 SER B 33 -11.473 -1.527 -3.840 1.00 0.18 H new ATOM 0 HG SER B 33 -12.676 -3.775 -3.277 1.00 0.24 H new ATOM 1456 N ILE B 34 -8.606 -1.748 -2.407 1.00 0.13 N ATOM 1457 CA ILE B 34 -7.560 -0.749 -2.190 1.00 0.13 C ATOM 1458 C ILE B 34 -6.890 -0.375 -3.513 1.00 0.13 C ATOM 1459 O ILE B 34 -6.112 -1.151 -4.061 1.00 0.14 O ATOM 1460 CB ILE B 34 -6.450 -1.219 -1.213 1.00 0.15 C ATOM 1461 CG1 ILE B 34 -7.024 -1.799 0.083 1.00 0.15 C ATOM 1462 CG2 ILE B 34 -5.529 -0.059 -0.885 1.00 0.20 C ATOM 1463 CD1 ILE B 34 -7.405 -3.257 -0.027 1.00 0.18 C ATOM 0 H ILE B 34 -8.365 -2.472 -3.084 1.00 0.13 H new ATOM 0 HA ILE B 34 -8.067 0.108 -1.746 1.00 0.13 H new ATOM 0 HB ILE B 34 -5.893 -2.013 -1.712 1.00 0.15 H new ATOM 0 HG12 ILE B 34 -6.290 -1.682 0.880 1.00 0.15 H new ATOM 0 HG13 ILE B 34 -7.903 -1.223 0.372 1.00 0.15 H new ATOM 0 HG21 ILE B 34 -4.752 -0.395 -0.199 1.00 0.20 H new ATOM 0 HG22 ILE B 34 -5.069 0.311 -1.801 1.00 0.20 H new ATOM 0 HG23 ILE B 34 -6.104 0.741 -0.419 1.00 0.20 H new ATOM 0 HD11 ILE B 34 -7.804 -3.602 0.927 1.00 0.18 H new ATOM 0 HD12 ILE B 34 -8.162 -3.378 -0.802 1.00 0.18 H new ATOM 0 HD13 ILE B 34 -6.524 -3.845 -0.285 1.00 0.18 H new ATOM 1475 N GLU B 35 -7.202 0.807 -4.020 1.00 0.13 N ATOM 1476 CA GLU B 35 -6.606 1.312 -5.252 1.00 0.14 C ATOM 1477 C GLU B 35 -5.431 2.223 -4.916 1.00 0.15 C ATOM 1478 O GLU B 35 -5.493 2.988 -3.948 1.00 0.20 O ATOM 1479 CB GLU B 35 -7.652 2.087 -6.067 1.00 0.19 C ATOM 1480 CG GLU B 35 -7.110 2.694 -7.355 1.00 0.28 C ATOM 1481 CD GLU B 35 -8.087 3.645 -8.019 1.00 0.51 C ATOM 1482 OE1 GLU B 35 -8.958 4.195 -7.309 1.00 1.12 O ATOM 1483 OE2 GLU B 35 -7.967 3.864 -9.248 1.00 1.33 O ATOM 0 H GLU B 35 -7.874 1.444 -3.592 1.00 0.13 H new ATOM 0 HA GLU B 35 -6.251 0.470 -5.847 1.00 0.14 H new ATOM 0 HB2 GLU B 35 -8.476 1.417 -6.312 1.00 0.19 H new ATOM 0 HB3 GLU B 35 -8.063 2.884 -5.447 1.00 0.19 H new ATOM 0 HG2 GLU B 35 -6.184 3.226 -7.138 1.00 0.28 H new ATOM 0 HG3 GLU B 35 -6.861 1.893 -8.051 1.00 0.28 H new ATOM 1490 N PHE B 36 -4.360 2.156 -5.703 1.00 0.15 N ATOM 1491 CA PHE B 36 -3.183 2.978 -5.411 1.00 0.17 C ATOM 1492 C PHE B 36 -2.919 4.041 -6.480 1.00 0.22 C ATOM 1493 O PHE B 36 -3.387 3.957 -7.618 1.00 0.28 O ATOM 1494 CB PHE B 36 -1.914 2.144 -5.217 1.00 0.22 C ATOM 1495 CG PHE B 36 -2.133 0.673 -5.021 1.00 0.19 C ATOM 1496 CD1 PHE B 36 -2.770 0.200 -3.889 1.00 1.21 C ATOM 1497 CD2 PHE B 36 -1.678 -0.234 -5.961 1.00 1.21 C ATOM 1498 CE1 PHE B 36 -2.952 -1.150 -3.699 1.00 1.21 C ATOM 1499 CE2 PHE B 36 -1.860 -1.588 -5.775 1.00 1.27 C ATOM 1500 CZ PHE B 36 -2.497 -2.046 -4.641 1.00 0.43 C ATOM 0 H PHE B 36 -4.279 1.559 -6.526 1.00 0.15 H new ATOM 0 HA PHE B 36 -3.424 3.478 -4.473 1.00 0.17 H new ATOM 0 HB2 PHE B 36 -1.271 2.286 -6.085 1.00 0.22 H new ATOM 0 HB3 PHE B 36 -1.374 2.532 -4.353 1.00 0.22 H new ATOM 0 HD1 PHE B 36 -3.128 0.897 -3.146 1.00 1.21 H new ATOM 0 HD2 PHE B 36 -1.176 0.122 -6.849 1.00 1.21 H new ATOM 0 HE1 PHE B 36 -3.452 -1.508 -2.811 1.00 1.21 H new ATOM 0 HE2 PHE B 36 -1.504 -2.289 -6.516 1.00 1.27 H new ATOM 0 HZ PHE B 36 -2.639 -3.106 -4.492 1.00 0.43 H new ATOM 1510 N PHE B 37 -2.159 5.041 -6.062 1.00 0.22 N ATOM 1511 CA PHE B 37 -1.794 6.203 -6.868 1.00 0.30 C ATOM 1512 C PHE B 37 -0.316 6.470 -6.648 1.00 0.25 C ATOM 1513 O PHE B 37 0.116 6.579 -5.514 1.00 0.45 O ATOM 1514 CB PHE B 37 -2.635 7.403 -6.392 1.00 0.48 C ATOM 1515 CG PHE B 37 -2.395 8.717 -7.095 1.00 0.65 C ATOM 1516 CD1 PHE B 37 -1.250 9.463 -6.849 1.00 1.24 C ATOM 1517 CD2 PHE B 37 -3.336 9.220 -7.978 1.00 1.67 C ATOM 1518 CE1 PHE B 37 -1.049 10.679 -7.474 1.00 1.64 C ATOM 1519 CE2 PHE B 37 -3.143 10.438 -8.601 1.00 2.10 C ATOM 1520 CZ PHE B 37 -1.997 11.167 -8.351 1.00 1.80 C ATOM 0 H PHE B 37 -1.765 5.070 -5.122 1.00 0.22 H new ATOM 0 HA PHE B 37 -1.982 6.035 -7.929 1.00 0.30 H new ATOM 0 HB2 PHE B 37 -3.689 7.146 -6.501 1.00 0.48 H new ATOM 0 HB3 PHE B 37 -2.451 7.547 -5.327 1.00 0.48 H new ATOM 0 HD1 PHE B 37 -0.507 9.088 -6.161 1.00 1.24 H new ATOM 0 HD2 PHE B 37 -4.232 8.653 -8.182 1.00 1.67 H new ATOM 0 HE1 PHE B 37 -0.152 11.247 -7.277 1.00 1.64 H new ATOM 0 HE2 PHE B 37 -3.888 10.820 -9.283 1.00 2.10 H new ATOM 0 HZ PHE B 37 -1.843 12.117 -8.841 1.00 1.80 H new ATOM 1530 N VAL B 38 0.464 6.547 -7.701 1.00 0.24 N ATOM 1531 CA VAL B 38 1.888 6.772 -7.530 1.00 0.19 C ATOM 1532 C VAL B 38 2.213 8.252 -7.667 1.00 0.20 C ATOM 1533 O VAL B 38 1.718 8.934 -8.565 1.00 0.24 O ATOM 1534 CB VAL B 38 2.735 5.941 -8.514 1.00 0.23 C ATOM 1535 CG1 VAL B 38 2.434 6.300 -9.963 1.00 0.30 C ATOM 1536 CG2 VAL B 38 4.217 6.104 -8.206 1.00 0.25 C ATOM 0 H VAL B 38 0.150 6.460 -8.667 1.00 0.24 H new ATOM 0 HA VAL B 38 2.147 6.441 -6.524 1.00 0.19 H new ATOM 0 HB VAL B 38 2.466 4.893 -8.382 1.00 0.23 H new ATOM 0 HG11 VAL B 38 3.052 5.692 -10.624 1.00 0.30 H new ATOM 0 HG12 VAL B 38 1.381 6.111 -10.174 1.00 0.30 H new ATOM 0 HG13 VAL B 38 2.653 7.355 -10.130 1.00 0.30 H new ATOM 0 HG21 VAL B 38 4.802 5.511 -8.909 1.00 0.25 H new ATOM 0 HG22 VAL B 38 4.494 7.154 -8.298 1.00 0.25 H new ATOM 0 HG23 VAL B 38 4.417 5.763 -7.190 1.00 0.25 H new ATOM 1546 N ASP B 39 3.026 8.743 -6.754 1.00 0.20 N ATOM 1547 CA ASP B 39 3.373 10.153 -6.709 1.00 0.26 C ATOM 1548 C ASP B 39 4.866 10.316 -6.499 1.00 0.29 C ATOM 1549 O ASP B 39 5.365 10.157 -5.381 1.00 0.29 O ATOM 1550 CB ASP B 39 2.597 10.857 -5.595 1.00 0.31 C ATOM 1551 CG ASP B 39 2.947 12.326 -5.476 1.00 0.42 C ATOM 1552 OD1 ASP B 39 2.737 13.077 -6.452 1.00 1.18 O ATOM 1553 OD2 ASP B 39 3.406 12.743 -4.393 1.00 1.17 O ATOM 0 H ASP B 39 3.464 8.181 -6.024 1.00 0.20 H new ATOM 0 HA ASP B 39 3.102 10.611 -7.660 1.00 0.26 H new ATOM 0 HB2 ASP B 39 1.528 10.757 -5.783 1.00 0.31 H new ATOM 0 HB3 ASP B 39 2.802 10.361 -4.646 1.00 0.31 H new ATOM 1558 N GLY B 40 5.576 10.602 -7.580 1.00 0.35 N ATOM 1559 CA GLY B 40 7.016 10.722 -7.513 1.00 0.39 C ATOM 1560 C GLY B 40 7.664 9.370 -7.328 1.00 0.34 C ATOM 1561 O GLY B 40 7.916 8.658 -8.299 1.00 0.42 O ATOM 0 H GLY B 40 5.177 10.754 -8.507 1.00 0.35 H new ATOM 0 HA2 GLY B 40 7.389 11.186 -8.426 1.00 0.39 H new ATOM 0 HA3 GLY B 40 7.292 11.378 -6.687 1.00 0.39 H new ATOM 1565 N ASP B 41 7.917 9.009 -6.081 1.00 0.28 N ATOM 1566 CA ASP B 41 8.456 7.692 -5.764 1.00 0.28 C ATOM 1567 C ASP B 41 7.467 6.922 -4.901 1.00 0.23 C ATOM 1568 O ASP B 41 7.546 5.704 -4.786 1.00 0.29 O ATOM 1569 CB ASP B 41 9.782 7.805 -5.004 1.00 0.37 C ATOM 1570 CG ASP B 41 10.774 8.745 -5.654 1.00 1.17 C ATOM 1571 OD1 ASP B 41 11.433 8.346 -6.637 1.00 1.91 O ATOM 1572 OD2 ASP B 41 10.914 9.886 -5.168 1.00 1.84 O ATOM 0 H ASP B 41 7.759 9.607 -5.270 1.00 0.28 H new ATOM 0 HA ASP B 41 8.628 7.168 -6.704 1.00 0.28 H new ATOM 0 HB2 ASP B 41 9.581 8.147 -3.989 1.00 0.37 H new ATOM 0 HB3 ASP B 41 10.231 6.815 -4.924 1.00 0.37 H new ATOM 1577 N LYS B 42 6.515 7.641 -4.322 1.00 0.20 N ATOM 1578 CA LYS B 42 5.677 7.091 -3.272 1.00 0.21 C ATOM 1579 C LYS B 42 4.368 6.561 -3.837 1.00 0.16 C ATOM 1580 O LYS B 42 4.025 6.803 -4.996 1.00 0.14 O ATOM 1581 CB LYS B 42 5.384 8.139 -2.202 1.00 0.27 C ATOM 1582 CG LYS B 42 4.129 8.934 -2.490 1.00 0.33 C ATOM 1583 CD LYS B 42 3.841 9.942 -1.401 1.00 0.36 C ATOM 1584 CE LYS B 42 4.984 10.926 -1.279 1.00 0.63 C ATOM 1585 NZ LYS B 42 4.918 12.010 -2.295 1.00 0.78 N ATOM 0 H LYS B 42 6.305 8.609 -4.565 1.00 0.20 H new ATOM 0 HA LYS B 42 6.225 6.265 -2.818 1.00 0.21 H new ATOM 0 HB2 LYS B 42 5.283 7.646 -1.235 1.00 0.27 H new ATOM 0 HB3 LYS B 42 6.231 8.821 -2.125 1.00 0.27 H new ATOM 0 HG2 LYS B 42 4.237 9.450 -3.444 1.00 0.33 H new ATOM 0 HG3 LYS B 42 3.283 8.254 -2.589 1.00 0.33 H new ATOM 0 HD2 LYS B 42 2.916 10.474 -1.624 1.00 0.36 H new ATOM 0 HD3 LYS B 42 3.692 9.428 -0.451 1.00 0.36 H new ATOM 0 HE2 LYS B 42 4.974 11.367 -0.282 1.00 0.63 H new ATOM 0 HE3 LYS B 42 5.929 10.393 -1.383 1.00 0.63 H new ATOM 0 HZ1 LYS B 42 5.798 12.020 -2.850 1.00 0.78 H new ATOM 0 HZ2 LYS B 42 4.111 11.843 -2.929 1.00 0.78 H new ATOM 0 HZ3 LYS B 42 4.799 12.926 -1.818 1.00 0.78 H new ATOM 1599 N ILE B 43 3.638 5.858 -2.995 1.00 0.17 N ATOM 1600 CA ILE B 43 2.398 5.218 -3.399 1.00 0.16 C ATOM 1601 C ILE B 43 1.266 5.669 -2.472 1.00 0.18 C ATOM 1602 O ILE B 43 1.473 5.844 -1.271 1.00 0.21 O ATOM 1603 CB ILE B 43 2.511 3.674 -3.362 1.00 0.16 C ATOM 1604 CG1 ILE B 43 3.691 3.179 -4.209 1.00 0.18 C ATOM 1605 CG2 ILE B 43 1.219 3.034 -3.845 1.00 0.15 C ATOM 1606 CD1 ILE B 43 3.512 3.384 -5.700 1.00 0.22 C ATOM 0 H ILE B 43 3.884 5.713 -2.016 1.00 0.17 H new ATOM 0 HA ILE B 43 2.186 5.515 -4.426 1.00 0.16 H new ATOM 0 HB ILE B 43 2.689 3.380 -2.327 1.00 0.16 H new ATOM 0 HG12 ILE B 43 4.596 3.695 -3.888 1.00 0.18 H new ATOM 0 HG13 ILE B 43 3.843 2.117 -4.015 1.00 0.18 H new ATOM 0 HG21 ILE B 43 1.316 1.949 -3.812 1.00 0.15 H new ATOM 0 HG22 ILE B 43 0.396 3.344 -3.201 1.00 0.15 H new ATOM 0 HG23 ILE B 43 1.017 3.350 -4.869 1.00 0.15 H new ATOM 0 HD11 ILE B 43 4.389 3.008 -6.227 1.00 0.22 H new ATOM 0 HD12 ILE B 43 2.627 2.845 -6.038 1.00 0.22 H new ATOM 0 HD13 ILE B 43 3.391 4.447 -5.909 1.00 0.22 H new ATOM 1618 N ILE B 44 0.085 5.861 -3.036 1.00 0.16 N ATOM 1619 CA ILE B 44 -1.054 6.408 -2.307 1.00 0.19 C ATOM 1620 C ILE B 44 -2.256 5.469 -2.385 1.00 0.20 C ATOM 1621 O ILE B 44 -2.813 5.252 -3.459 1.00 0.26 O ATOM 1622 CB ILE B 44 -1.457 7.776 -2.893 1.00 0.21 C ATOM 1623 CG1 ILE B 44 -0.230 8.685 -3.001 1.00 0.22 C ATOM 1624 CG2 ILE B 44 -2.540 8.419 -2.046 1.00 0.30 C ATOM 1625 CD1 ILE B 44 -0.537 10.079 -3.511 1.00 0.25 C ATOM 0 H ILE B 44 -0.114 5.643 -4.012 1.00 0.16 H new ATOM 0 HA ILE B 44 -0.755 6.523 -1.265 1.00 0.19 H new ATOM 0 HB ILE B 44 -1.860 7.626 -3.894 1.00 0.21 H new ATOM 0 HG12 ILE B 44 0.239 8.763 -2.020 1.00 0.22 H new ATOM 0 HG13 ILE B 44 0.497 8.218 -3.665 1.00 0.22 H new ATOM 0 HG21 ILE B 44 -2.812 9.384 -2.474 1.00 0.30 H new ATOM 0 HG22 ILE B 44 -3.417 7.772 -2.023 1.00 0.30 H new ATOM 0 HG23 ILE B 44 -2.170 8.564 -1.031 1.00 0.30 H new ATOM 0 HD11 ILE B 44 0.384 10.660 -3.559 1.00 0.25 H new ATOM 0 HD12 ILE B 44 -0.977 10.014 -4.506 1.00 0.25 H new ATOM 0 HD13 ILE B 44 -1.239 10.567 -2.835 1.00 0.25 H new ATOM 1637 N LEU B 45 -2.669 4.930 -1.250 1.00 0.18 N ATOM 1638 CA LEU B 45 -3.736 3.934 -1.212 1.00 0.19 C ATOM 1639 C LEU B 45 -5.063 4.530 -0.746 1.00 0.20 C ATOM 1640 O LEU B 45 -5.091 5.383 0.143 1.00 0.25 O ATOM 1641 CB LEU B 45 -3.348 2.778 -0.288 1.00 0.20 C ATOM 1642 CG LEU B 45 -2.440 1.708 -0.898 1.00 0.19 C ATOM 1643 CD1 LEU B 45 -1.117 2.292 -1.366 1.00 0.19 C ATOM 1644 CD2 LEU B 45 -2.199 0.606 0.110 1.00 0.24 C ATOM 0 H LEU B 45 -2.281 5.165 -0.336 1.00 0.18 H new ATOM 0 HA LEU B 45 -3.869 3.569 -2.230 1.00 0.19 H new ATOM 0 HB2 LEU B 45 -2.851 3.191 0.589 1.00 0.20 H new ATOM 0 HB3 LEU B 45 -4.261 2.296 0.061 1.00 0.20 H new ATOM 0 HG LEU B 45 -2.944 1.298 -1.773 1.00 0.19 H new ATOM 0 HD11 LEU B 45 -0.501 1.501 -1.793 1.00 0.19 H new ATOM 0 HD12 LEU B 45 -1.303 3.055 -2.122 1.00 0.19 H new ATOM 0 HD13 LEU B 45 -0.597 2.740 -0.519 1.00 0.19 H new ATOM 0 HD21 LEU B 45 -1.552 -0.153 -0.329 1.00 0.24 H new ATOM 0 HD22 LEU B 45 -1.720 1.022 0.997 1.00 0.24 H new ATOM 0 HD23 LEU B 45 -3.151 0.154 0.390 1.00 0.24 H new ATOM 1656 N LYS B 46 -6.150 4.072 -1.372 1.00 0.19 N ATOM 1657 CA LYS B 46 -7.508 4.432 -0.968 1.00 0.24 C ATOM 1658 C LYS B 46 -8.446 3.291 -1.331 1.00 0.20 C ATOM 1659 O LYS B 46 -8.129 2.482 -2.196 1.00 0.30 O ATOM 1660 CB LYS B 46 -7.990 5.707 -1.678 1.00 0.38 C ATOM 1661 CG LYS B 46 -8.367 5.476 -3.136 1.00 0.99 C ATOM 1662 CD LYS B 46 -9.152 6.640 -3.721 1.00 1.11 C ATOM 1663 CE LYS B 46 -9.632 6.322 -5.131 1.00 1.14 C ATOM 1664 NZ LYS B 46 -10.677 5.260 -5.157 1.00 1.85 N ATOM 0 H LYS B 46 -6.112 3.441 -2.173 1.00 0.19 H new ATOM 0 HA LYS B 46 -7.507 4.615 0.106 1.00 0.24 H new ATOM 0 HB2 LYS B 46 -8.853 6.108 -1.146 1.00 0.38 H new ATOM 0 HB3 LYS B 46 -7.205 6.462 -1.628 1.00 0.38 H new ATOM 0 HG2 LYS B 46 -7.462 5.320 -3.723 1.00 0.99 H new ATOM 0 HG3 LYS B 46 -8.960 4.565 -3.216 1.00 0.99 H new ATOM 0 HD2 LYS B 46 -10.008 6.863 -3.084 1.00 1.11 H new ATOM 0 HD3 LYS B 46 -8.527 7.533 -3.739 1.00 1.11 H new ATOM 0 HE2 LYS B 46 -10.029 7.228 -5.588 1.00 1.14 H new ATOM 0 HE3 LYS B 46 -8.783 6.005 -5.737 1.00 1.14 H new ATOM 0 HZ1 LYS B 46 -10.384 4.501 -5.804 1.00 1.85 H new ATOM 0 HZ2 LYS B 46 -10.801 4.871 -4.200 1.00 1.85 H new ATOM 0 HZ3 LYS B 46 -11.577 5.666 -5.485 1.00 1.85 H new ATOM 1678 N LYS B 47 -9.594 3.229 -0.683 1.00 0.22 N ATOM 1679 CA LYS B 47 -10.619 2.267 -1.069 1.00 0.22 C ATOM 1680 C LYS B 47 -11.237 2.738 -2.388 1.00 0.25 C ATOM 1681 O LYS B 47 -11.209 3.929 -2.698 1.00 0.41 O ATOM 1682 CB LYS B 47 -11.678 2.130 0.043 1.00 0.26 C ATOM 1683 CG LYS B 47 -12.481 0.821 0.028 1.00 0.28 C ATOM 1684 CD LYS B 47 -13.683 0.882 -0.901 1.00 0.44 C ATOM 1685 CE LYS B 47 -14.641 -0.281 -0.674 1.00 0.51 C ATOM 1686 NZ LYS B 47 -15.292 -0.218 0.661 1.00 0.43 N ATOM 0 H LYS B 47 -9.843 3.825 0.106 1.00 0.22 H new ATOM 0 HA LYS B 47 -10.183 1.278 -1.209 1.00 0.22 H new ATOM 0 HB2 LYS B 47 -11.181 2.221 1.009 1.00 0.26 H new ATOM 0 HB3 LYS B 47 -12.374 2.965 -0.036 1.00 0.26 H new ATOM 0 HG2 LYS B 47 -11.830 0.003 -0.280 1.00 0.28 H new ATOM 0 HG3 LYS B 47 -12.819 0.595 1.039 1.00 0.28 H new ATOM 0 HD2 LYS B 47 -14.212 1.823 -0.748 1.00 0.44 H new ATOM 0 HD3 LYS B 47 -13.342 0.874 -1.936 1.00 0.44 H new ATOM 0 HE2 LYS B 47 -15.406 -0.276 -1.450 1.00 0.51 H new ATOM 0 HE3 LYS B 47 -14.097 -1.221 -0.768 1.00 0.51 H new ATOM 0 HZ1 LYS B 47 -16.271 -0.560 0.586 1.00 0.43 H new ATOM 0 HZ2 LYS B 47 -14.767 -0.815 1.332 1.00 0.43 H new ATOM 0 HZ3 LYS B 47 -15.293 0.765 1.000 1.00 0.43 H new ATOM 1700 N TYR B 48 -11.765 1.810 -3.168 1.00 0.22 N ATOM 1701 CA TYR B 48 -12.258 2.117 -4.506 1.00 0.23 C ATOM 1702 C TYR B 48 -13.476 3.034 -4.448 1.00 0.25 C ATOM 1703 O TYR B 48 -13.481 4.115 -5.039 1.00 0.29 O ATOM 1704 CB TYR B 48 -12.615 0.816 -5.228 1.00 0.27 C ATOM 1705 CG TYR B 48 -12.977 0.987 -6.688 1.00 0.34 C ATOM 1706 CD1 TYR B 48 -11.994 1.192 -7.649 1.00 1.12 C ATOM 1707 CD2 TYR B 48 -14.300 0.933 -7.106 1.00 0.96 C ATOM 1708 CE1 TYR B 48 -12.321 1.340 -8.983 1.00 1.17 C ATOM 1709 CE2 TYR B 48 -14.633 1.077 -8.438 1.00 1.03 C ATOM 1710 CZ TYR B 48 -13.641 1.281 -9.372 1.00 0.59 C ATOM 1711 OH TYR B 48 -13.971 1.421 -10.701 1.00 0.74 O ATOM 0 H TYR B 48 -11.865 0.831 -2.898 1.00 0.22 H new ATOM 0 HA TYR B 48 -11.472 2.638 -5.054 1.00 0.23 H new ATOM 0 HB2 TYR B 48 -11.771 0.131 -5.154 1.00 0.27 H new ATOM 0 HB3 TYR B 48 -13.452 0.347 -4.712 1.00 0.27 H new ATOM 0 HD1 TYR B 48 -10.958 1.236 -7.348 1.00 1.12 H new ATOM 0 HD2 TYR B 48 -15.081 0.776 -6.377 1.00 0.96 H new ATOM 0 HE1 TYR B 48 -11.546 1.501 -9.717 1.00 1.17 H new ATOM 0 HE2 TYR B 48 -15.667 1.030 -8.747 1.00 1.03 H new ATOM 0 HH TYR B 48 -14.943 1.354 -10.806 1.00 0.74 H new ATOM 1721 N LYS B 49 -14.485 2.590 -3.711 1.00 0.32 N ATOM 1722 CA LYS B 49 -15.778 3.268 -3.639 1.00 0.46 C ATOM 1723 C LYS B 49 -15.677 4.736 -3.182 1.00 0.54 C ATOM 1724 O LYS B 49 -16.230 5.611 -3.850 1.00 0.61 O ATOM 1725 CB LYS B 49 -16.720 2.480 -2.726 1.00 0.61 C ATOM 1726 CG LYS B 49 -18.184 2.861 -2.881 1.00 0.97 C ATOM 1727 CD LYS B 49 -18.621 2.803 -4.338 1.00 2.15 C ATOM 1728 CE LYS B 49 -20.109 3.078 -4.488 1.00 2.61 C ATOM 1729 NZ LYS B 49 -20.935 1.968 -3.944 1.00 2.92 N ATOM 0 H LYS B 49 -14.432 1.745 -3.142 1.00 0.32 H new ATOM 0 HA LYS B 49 -16.180 3.299 -4.652 1.00 0.46 H new ATOM 0 HB2 LYS B 49 -16.607 1.416 -2.934 1.00 0.61 H new ATOM 0 HB3 LYS B 49 -16.421 2.636 -1.689 1.00 0.61 H new ATOM 0 HG2 LYS B 49 -18.802 2.187 -2.287 1.00 0.97 H new ATOM 0 HG3 LYS B 49 -18.343 3.866 -2.491 1.00 0.97 H new ATOM 0 HD2 LYS B 49 -18.055 3.533 -4.917 1.00 2.15 H new ATOM 0 HD3 LYS B 49 -18.389 1.821 -4.749 1.00 2.15 H new ATOM 0 HE2 LYS B 49 -20.361 4.005 -3.972 1.00 2.61 H new ATOM 0 HE3 LYS B 49 -20.347 3.225 -5.542 1.00 2.61 H new ATOM 0 HZ1 LYS B 49 -21.929 2.111 -4.214 1.00 2.92 H new ATOM 0 HZ2 LYS B 49 -20.598 1.063 -4.330 1.00 2.92 H new ATOM 0 HZ3 LYS B 49 -20.857 1.953 -2.907 1.00 2.92 H new ATOM 1743 N PRO B 50 -15.011 5.041 -2.039 1.00 0.60 N ATOM 1744 CA PRO B 50 -14.836 6.426 -1.585 1.00 0.82 C ATOM 1745 C PRO B 50 -14.223 7.308 -2.666 1.00 0.82 C ATOM 1746 O PRO B 50 -13.076 7.107 -3.085 1.00 1.57 O ATOM 1747 CB PRO B 50 -13.889 6.304 -0.393 1.00 1.06 C ATOM 1748 CG PRO B 50 -14.121 4.932 0.121 1.00 0.89 C ATOM 1749 CD PRO B 50 -14.407 4.089 -1.089 1.00 0.53 C ATOM 0 HA PRO B 50 -15.788 6.894 -1.334 1.00 0.82 H new ATOM 0 HB2 PRO B 50 -12.851 6.446 -0.694 1.00 1.06 H new ATOM 0 HB3 PRO B 50 -14.106 7.055 0.366 1.00 1.06 H new ATOM 0 HG2 PRO B 50 -13.248 4.562 0.659 1.00 0.89 H new ATOM 0 HG3 PRO B 50 -14.958 4.912 0.819 1.00 0.89 H new ATOM 0 HD2 PRO B 50 -13.497 3.643 -1.491 1.00 0.53 H new ATOM 0 HD3 PRO B 50 -15.087 3.270 -0.855 1.00 0.53 H new ATOM 1757 N HIS B 51 -14.997 8.282 -3.118 1.00 0.97 N ATOM 1758 CA HIS B 51 -14.576 9.143 -4.204 1.00 1.13 C ATOM 1759 C HIS B 51 -13.659 10.244 -3.691 1.00 1.69 C ATOM 1760 O HIS B 51 -14.110 11.328 -3.319 1.00 2.46 O ATOM 1761 CB HIS B 51 -15.796 9.735 -4.916 1.00 2.12 C ATOM 1762 CG HIS B 51 -15.460 10.558 -6.126 1.00 2.92 C ATOM 1763 ND1 HIS B 51 -15.050 10.007 -7.321 1.00 3.83 N ATOM 1764 CD2 HIS B 51 -15.491 11.897 -6.323 1.00 3.53 C ATOM 1765 CE1 HIS B 51 -14.842 10.972 -8.198 1.00 4.68 C ATOM 1766 NE2 HIS B 51 -15.104 12.126 -7.618 1.00 4.55 N ATOM 0 H HIS B 51 -15.923 8.494 -2.746 1.00 0.97 H new ATOM 0 HA HIS B 51 -14.015 8.547 -4.924 1.00 1.13 H new ATOM 0 HB2 HIS B 51 -16.458 8.923 -5.215 1.00 2.12 H new ATOM 0 HB3 HIS B 51 -16.350 10.355 -4.211 1.00 2.12 H new ATOM 0 HD2 HIS B 51 -15.769 12.645 -5.596 1.00 3.53 H new ATOM 0 HE1 HIS B 51 -14.513 10.838 -9.218 1.00 4.68 H new ATOM 0 HE2 HIS B 51 -15.031 13.042 -8.061 1.00 4.55 H new ATOM 1775 N GLY B 52 -12.374 9.939 -3.636 1.00 2.10 N ATOM 1776 CA GLY B 52 -11.391 10.929 -3.256 1.00 3.10 C ATOM 1777 C GLY B 52 -10.721 11.532 -4.472 1.00 2.89 C ATOM 1778 O GLY B 52 -11.359 11.708 -5.511 1.00 3.12 O ATOM 0 H GLY B 52 -11.992 9.018 -3.849 1.00 2.10 H new ATOM 0 HA2 GLY B 52 -11.870 11.716 -2.674 1.00 3.10 H new ATOM 0 HA3 GLY B 52 -10.639 10.471 -2.614 1.00 3.10 H new ATOM 1782 N VAL B 53 -9.442 11.837 -4.352 1.00 2.81 N ATOM 1783 CA VAL B 53 -8.693 12.395 -5.465 1.00 2.74 C ATOM 1784 C VAL B 53 -8.132 11.278 -6.347 1.00 2.07 C ATOM 1785 O VAL B 53 -7.755 10.208 -5.854 1.00 1.96 O ATOM 1786 CB VAL B 53 -7.552 13.321 -4.977 1.00 3.42 C ATOM 1787 CG1 VAL B 53 -6.518 12.547 -4.170 1.00 3.57 C ATOM 1788 CG2 VAL B 53 -6.902 14.035 -6.153 1.00 3.62 C ATOM 0 H VAL B 53 -8.900 11.708 -3.497 1.00 2.81 H new ATOM 0 HA VAL B 53 -9.381 12.999 -6.056 1.00 2.74 H new ATOM 0 HB VAL B 53 -7.988 14.073 -4.319 1.00 3.42 H new ATOM 0 HG11 VAL B 53 -5.730 13.225 -3.842 1.00 3.57 H new ATOM 0 HG12 VAL B 53 -6.997 12.099 -3.299 1.00 3.57 H new ATOM 0 HG13 VAL B 53 -6.086 11.762 -4.790 1.00 3.57 H new ATOM 0 HG21 VAL B 53 -6.103 14.681 -5.790 1.00 3.62 H new ATOM 0 HG22 VAL B 53 -6.489 13.299 -6.842 1.00 3.62 H new ATOM 0 HG23 VAL B 53 -7.648 14.637 -6.671 1.00 3.62 H new ATOM 1798 N CYS B 54 -8.109 11.523 -7.648 1.00 1.96 N ATOM 1799 CA CYS B 54 -7.589 10.567 -8.608 1.00 1.58 C ATOM 1800 C CYS B 54 -7.061 11.301 -9.835 1.00 2.13 C ATOM 1801 O CYS B 54 -7.829 11.495 -10.801 1.00 2.76 O ATOM 1802 CB CYS B 54 -8.679 9.560 -8.998 1.00 1.96 C ATOM 1803 SG CYS B 54 -10.232 10.316 -9.539 1.00 2.82 S ATOM 1804 OXT CYS B 54 -5.888 11.720 -9.813 1.00 2.59 O ATOM 0 H CYS B 54 -8.450 12.389 -8.066 1.00 1.96 H new ATOM 0 HA CYS B 54 -6.766 10.015 -8.155 1.00 1.58 H new ATOM 0 HB2 CYS B 54 -8.300 8.924 -9.798 1.00 1.96 H new ATOM 0 HB3 CYS B 54 -8.881 8.913 -8.145 1.00 1.96 H new ATOM 0 HG CYS B 54 -9.983 11.229 -10.431 1.00 2.82 H new TER 1810 CYS B 54