USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 946 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 2 LYS NZ :NH3+ -157:sc= 1.19 (180deg=0.22) USER MOD Set 1.2: B 46 LYS NZ :NH3+ 150:sc= 2.32 (180deg=1.05) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -102:sc= 1.1 (180deg=-0.581) USER MOD Single : A 3 SER OG : rot 66:sc= 1.52 USER MOD Single : A 9 LYS NZ :NH3+ -166:sc= -0.0135 (180deg=-0.171) USER MOD Single : A 18 MET CE :methyl 153:sc= -0.344 (180deg=-2.26!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 65:sc= 1.07 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -152:sc= 2.03 (180deg=0.977) USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= -1.33 (180deg=-1.52) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 1.13 K(o=1.1,f=-4.9!) USER MOD Single : A 54 CYS SG : rot -18:sc= 1.28 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -121:sc= 0.138 (180deg=0) USER MOD Single : B 2 LYS NZ :NH3+ 154:sc= 0.494 (180deg=-0.613) USER MOD Single : B 3 SER OG : rot 89:sc= 1.15 USER MOD Single : B 9 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0101) USER MOD Single : B 18 MET CE :methyl 145:sc= -0.401 (180deg=-2.69!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 SER OG : rot 20:sc= 1.15 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ -177:sc= -0.505 (180deg=-0.529) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 149:sc= -0.117 (180deg=-0.585) USER MOD Single : B 51 HIS :FLIP no HE2:sc= -0.0686 F(o=-2.4!,f=-0.069) USER MOD Single : B 54 CYS SG : rot 36:sc= -1.5 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.138 -11.498 -10.778 1.00 2.66 N ATOM 2 CA MET A 1 -7.516 -12.034 -9.545 1.00 2.32 C ATOM 3 C MET A 1 -6.361 -11.153 -9.099 1.00 1.80 C ATOM 4 O MET A 1 -5.801 -10.399 -9.895 1.00 2.36 O ATOM 5 CB MET A 1 -7.042 -13.474 -9.756 1.00 2.85 C ATOM 6 CG MET A 1 -8.174 -14.487 -9.755 1.00 3.24 C ATOM 7 SD MET A 1 -7.597 -16.184 -9.939 1.00 3.98 S ATOM 8 CE MET A 1 -9.144 -17.078 -9.814 1.00 4.57 C ATOM 0 H1 MET A 1 -9.021 -11.004 -10.535 1.00 2.66 H new ATOM 0 H2 MET A 1 -7.483 -10.832 -11.236 1.00 2.66 H new ATOM 0 H3 MET A 1 -8.347 -12.281 -11.430 1.00 2.66 H new ATOM 0 HA MET A 1 -8.271 -12.035 -8.759 1.00 2.32 H new ATOM 0 HB2 MET A 1 -6.508 -13.538 -10.704 1.00 2.85 H new ATOM 0 HB3 MET A 1 -6.331 -13.734 -8.972 1.00 2.85 H new ATOM 0 HG2 MET A 1 -8.734 -14.398 -8.824 1.00 3.24 H new ATOM 0 HG3 MET A 1 -8.864 -14.253 -10.565 1.00 3.24 H new ATOM 0 HE1 MET A 1 -8.955 -18.147 -9.909 1.00 4.57 H new ATOM 0 HE2 MET A 1 -9.604 -16.875 -8.847 1.00 4.57 H new ATOM 0 HE3 MET A 1 -9.816 -16.756 -10.610 1.00 4.57 H new ATOM 20 N LYS A 2 -6.015 -11.247 -7.822 1.00 1.18 N ATOM 21 CA LYS A 2 -4.935 -10.456 -7.253 1.00 0.75 C ATOM 22 C LYS A 2 -3.645 -11.253 -7.203 1.00 0.67 C ATOM 23 O LYS A 2 -3.617 -12.437 -7.531 1.00 1.02 O ATOM 24 CB LYS A 2 -5.282 -10.001 -5.836 1.00 0.88 C ATOM 25 CG LYS A 2 -5.993 -8.666 -5.767 1.00 0.85 C ATOM 26 CD LYS A 2 -5.075 -7.534 -6.184 1.00 1.06 C ATOM 27 CE LYS A 2 -5.749 -6.184 -6.037 1.00 1.13 C ATOM 28 NZ LYS A 2 -7.002 -6.111 -6.828 1.00 1.88 N ATOM 0 H LYS A 2 -6.472 -11.870 -7.156 1.00 1.18 H new ATOM 0 HA LYS A 2 -4.800 -9.586 -7.895 1.00 0.75 H new ATOM 0 HB2 LYS A 2 -5.910 -10.759 -5.367 1.00 0.88 H new ATOM 0 HB3 LYS A 2 -4.364 -9.941 -5.251 1.00 0.88 H new ATOM 0 HG2 LYS A 2 -6.870 -8.684 -6.414 1.00 0.85 H new ATOM 0 HG3 LYS A 2 -6.350 -8.493 -4.752 1.00 0.85 H new ATOM 0 HD2 LYS A 2 -4.170 -7.557 -5.577 1.00 1.06 H new ATOM 0 HD3 LYS A 2 -4.768 -7.677 -7.220 1.00 1.06 H new ATOM 0 HE2 LYS A 2 -5.970 -6.000 -4.986 1.00 1.13 H new ATOM 0 HE3 LYS A 2 -5.067 -5.399 -6.362 1.00 1.13 H new ATOM 0 HZ1 LYS A 2 -7.228 -5.116 -7.030 1.00 1.88 H new ATOM 0 HZ2 LYS A 2 -6.878 -6.626 -7.723 1.00 1.88 H new ATOM 0 HZ3 LYS A 2 -7.780 -6.540 -6.287 1.00 1.88 H new ATOM 42 N SER A 3 -2.585 -10.588 -6.791 1.00 0.47 N ATOM 43 CA SER A 3 -1.321 -11.248 -6.544 1.00 0.43 C ATOM 44 C SER A 3 -1.310 -11.823 -5.139 1.00 0.35 C ATOM 45 O SER A 3 -1.069 -13.011 -4.933 1.00 0.42 O ATOM 46 CB SER A 3 -0.178 -10.253 -6.698 1.00 0.48 C ATOM 47 OG SER A 3 -0.161 -9.697 -7.994 1.00 0.84 O ATOM 0 H SER A 3 -2.575 -9.583 -6.619 1.00 0.47 H new ATOM 0 HA SER A 3 -1.193 -12.055 -7.266 1.00 0.43 H new ATOM 0 HB2 SER A 3 -0.281 -9.458 -5.959 1.00 0.48 H new ATOM 0 HB3 SER A 3 0.771 -10.751 -6.500 1.00 0.48 H new ATOM 0 HG SER A 3 -0.968 -9.158 -8.129 1.00 0.84 H new ATOM 53 N ILE A 4 -1.597 -10.964 -4.176 1.00 0.31 N ATOM 54 CA ILE A 4 -1.599 -11.356 -2.782 1.00 0.29 C ATOM 55 C ILE A 4 -2.980 -11.863 -2.393 1.00 0.30 C ATOM 56 O ILE A 4 -3.118 -12.800 -1.606 1.00 0.36 O ATOM 57 CB ILE A 4 -1.215 -10.171 -1.872 1.00 0.27 C ATOM 58 CG1 ILE A 4 -0.236 -9.234 -2.595 1.00 0.30 C ATOM 59 CG2 ILE A 4 -0.605 -10.686 -0.577 1.00 0.32 C ATOM 60 CD1 ILE A 4 0.212 -8.051 -1.762 1.00 0.27 C ATOM 0 H ILE A 4 -1.833 -9.985 -4.338 1.00 0.31 H new ATOM 0 HA ILE A 4 -0.862 -12.148 -2.651 1.00 0.29 H new ATOM 0 HB ILE A 4 -2.115 -9.605 -1.633 1.00 0.27 H new ATOM 0 HG12 ILE A 4 0.641 -9.805 -2.898 1.00 0.30 H new ATOM 0 HG13 ILE A 4 -0.707 -8.866 -3.507 1.00 0.30 H new ATOM 0 HG21 ILE A 4 -0.337 -9.843 0.059 1.00 0.32 H new ATOM 0 HG22 ILE A 4 -1.328 -11.316 -0.059 1.00 0.32 H new ATOM 0 HG23 ILE A 4 0.288 -11.269 -0.802 1.00 0.32 H new ATOM 0 HD11 ILE A 4 0.901 -7.438 -2.342 1.00 0.27 H new ATOM 0 HD12 ILE A 4 -0.656 -7.455 -1.481 1.00 0.27 H new ATOM 0 HD13 ILE A 4 0.714 -8.408 -0.863 1.00 0.27 H new ATOM 72 N GLY A 5 -3.999 -11.244 -2.982 1.00 0.32 N ATOM 73 CA GLY A 5 -5.373 -11.607 -2.690 1.00 0.35 C ATOM 74 C GLY A 5 -5.742 -11.295 -1.261 1.00 0.31 C ATOM 75 O GLY A 5 -6.421 -12.079 -0.597 1.00 0.42 O ATOM 0 H GLY A 5 -3.895 -10.491 -3.662 1.00 0.32 H new ATOM 0 HA2 GLY A 5 -6.042 -11.071 -3.364 1.00 0.35 H new ATOM 0 HA3 GLY A 5 -5.516 -12.671 -2.879 1.00 0.35 H new ATOM 79 N VAL A 6 -5.276 -10.154 -0.781 1.00 0.22 N ATOM 80 CA VAL A 6 -5.526 -9.752 0.588 1.00 0.21 C ATOM 81 C VAL A 6 -6.114 -8.352 0.647 1.00 0.20 C ATOM 82 O VAL A 6 -5.749 -7.470 -0.134 1.00 0.24 O ATOM 83 CB VAL A 6 -4.248 -9.789 1.454 1.00 0.21 C ATOM 84 CG1 VAL A 6 -3.756 -11.214 1.655 1.00 0.27 C ATOM 85 CG2 VAL A 6 -3.168 -8.938 0.821 1.00 0.19 C ATOM 0 H VAL A 6 -4.722 -9.490 -1.322 1.00 0.22 H new ATOM 0 HA VAL A 6 -6.239 -10.472 0.990 1.00 0.21 H new ATOM 0 HB VAL A 6 -4.491 -9.382 2.436 1.00 0.21 H new ATOM 0 HG11 VAL A 6 -2.855 -11.205 2.269 1.00 0.27 H new ATOM 0 HG12 VAL A 6 -4.529 -11.799 2.154 1.00 0.27 H new ATOM 0 HG13 VAL A 6 -3.531 -11.661 0.687 1.00 0.27 H new ATOM 0 HG21 VAL A 6 -2.271 -8.970 1.439 1.00 0.19 H new ATOM 0 HG22 VAL A 6 -2.938 -9.322 -0.173 1.00 0.19 H new ATOM 0 HG23 VAL A 6 -3.516 -7.908 0.741 1.00 0.19 H new ATOM 95 N VAL A 7 -7.007 -8.174 1.603 1.00 0.17 N ATOM 96 CA VAL A 7 -7.663 -6.903 1.835 1.00 0.16 C ATOM 97 C VAL A 7 -7.509 -6.511 3.299 1.00 0.19 C ATOM 98 O VAL A 7 -7.625 -7.350 4.193 1.00 0.29 O ATOM 99 CB VAL A 7 -9.162 -6.935 1.436 1.00 0.17 C ATOM 100 CG1 VAL A 7 -9.890 -8.080 2.124 1.00 0.22 C ATOM 101 CG2 VAL A 7 -9.833 -5.604 1.752 1.00 0.16 C ATOM 0 H VAL A 7 -7.298 -8.912 2.244 1.00 0.17 H new ATOM 0 HA VAL A 7 -7.183 -6.157 1.202 1.00 0.16 H new ATOM 0 HB VAL A 7 -9.217 -7.101 0.360 1.00 0.17 H new ATOM 0 HG11 VAL A 7 -10.938 -8.077 1.825 1.00 0.22 H new ATOM 0 HG12 VAL A 7 -9.433 -9.027 1.836 1.00 0.22 H new ATOM 0 HG13 VAL A 7 -9.821 -7.958 3.205 1.00 0.22 H new ATOM 0 HG21 VAL A 7 -10.883 -5.649 1.464 1.00 0.16 H new ATOM 0 HG22 VAL A 7 -9.758 -5.403 2.821 1.00 0.16 H new ATOM 0 HG23 VAL A 7 -9.338 -4.807 1.197 1.00 0.16 H new ATOM 111 N ARG A 8 -7.237 -5.243 3.538 1.00 0.15 N ATOM 112 CA ARG A 8 -6.969 -4.757 4.871 1.00 0.16 C ATOM 113 C ARG A 8 -8.051 -3.790 5.284 1.00 0.15 C ATOM 114 O ARG A 8 -8.671 -3.143 4.441 1.00 0.16 O ATOM 115 CB ARG A 8 -5.611 -4.055 4.938 1.00 0.16 C ATOM 116 CG ARG A 8 -4.578 -4.769 5.800 1.00 0.25 C ATOM 117 CD ARG A 8 -4.218 -6.149 5.265 1.00 0.34 C ATOM 118 NE ARG A 8 -5.189 -7.172 5.638 1.00 0.81 N ATOM 119 CZ ARG A 8 -4.896 -8.466 5.741 1.00 0.85 C ATOM 120 NH1 ARG A 8 -3.652 -8.883 5.541 1.00 0.79 N ATOM 121 NH2 ARG A 8 -5.844 -9.338 6.051 1.00 1.43 N ATOM 0 H ARG A 8 -7.196 -4.525 2.814 1.00 0.15 H new ATOM 0 HA ARG A 8 -6.952 -5.611 5.549 1.00 0.16 H new ATOM 0 HB2 ARG A 8 -5.217 -3.955 3.927 1.00 0.16 H new ATOM 0 HB3 ARG A 8 -5.755 -3.046 5.325 1.00 0.16 H new ATOM 0 HG2 ARG A 8 -3.676 -4.160 5.858 1.00 0.25 H new ATOM 0 HG3 ARG A 8 -4.963 -4.866 6.815 1.00 0.25 H new ATOM 0 HD2 ARG A 8 -4.144 -6.104 4.178 1.00 0.34 H new ATOM 0 HD3 ARG A 8 -3.235 -6.434 5.640 1.00 0.34 H new ATOM 0 HE ARG A 8 -6.147 -6.879 5.831 1.00 0.81 H new ATOM 0 HH11 ARG A 8 -2.920 -8.212 5.308 1.00 0.79 H new ATOM 0 HH12 ARG A 8 -3.428 -9.875 5.620 1.00 0.79 H new ATOM 0 HH21 ARG A 8 -6.799 -9.018 6.211 1.00 1.43 H new ATOM 0 HH22 ARG A 8 -5.619 -10.330 6.130 1.00 1.43 H new ATOM 135 N LYS A 9 -8.303 -3.723 6.568 1.00 0.17 N ATOM 136 CA LYS A 9 -9.192 -2.720 7.100 1.00 0.18 C ATOM 137 C LYS A 9 -8.374 -1.684 7.857 1.00 0.20 C ATOM 138 O LYS A 9 -7.603 -2.027 8.754 1.00 0.24 O ATOM 139 CB LYS A 9 -10.246 -3.375 7.996 1.00 0.20 C ATOM 140 CG LYS A 9 -10.911 -4.597 7.357 1.00 0.21 C ATOM 141 CD LYS A 9 -11.698 -4.237 6.099 1.00 0.23 C ATOM 142 CE LYS A 9 -12.935 -3.423 6.439 1.00 0.67 C ATOM 143 NZ LYS A 9 -13.953 -4.226 7.168 1.00 1.22 N ATOM 0 H LYS A 9 -7.904 -4.352 7.265 1.00 0.17 H new ATOM 0 HA LYS A 9 -9.720 -2.218 6.290 1.00 0.18 H new ATOM 0 HB2 LYS A 9 -9.780 -3.674 8.935 1.00 0.20 H new ATOM 0 HB3 LYS A 9 -11.012 -2.640 8.241 1.00 0.20 H new ATOM 0 HG2 LYS A 9 -10.148 -5.334 7.107 1.00 0.21 H new ATOM 0 HG3 LYS A 9 -11.580 -5.064 8.080 1.00 0.21 H new ATOM 0 HD2 LYS A 9 -11.062 -3.670 5.419 1.00 0.23 H new ATOM 0 HD3 LYS A 9 -11.991 -5.148 5.577 1.00 0.23 H new ATOM 0 HE2 LYS A 9 -12.648 -2.565 7.047 1.00 0.67 H new ATOM 0 HE3 LYS A 9 -13.373 -3.031 5.521 1.00 0.67 H new ATOM 0 HZ1 LYS A 9 -14.860 -3.717 7.171 1.00 1.22 H new ATOM 0 HZ2 LYS A 9 -14.074 -5.145 6.696 1.00 1.22 H new ATOM 0 HZ3 LYS A 9 -13.638 -4.379 8.147 1.00 1.22 H new ATOM 157 N VAL A 10 -8.524 -0.428 7.452 1.00 0.19 N ATOM 158 CA VAL A 10 -7.753 0.686 8.000 1.00 0.19 C ATOM 159 C VAL A 10 -7.848 0.755 9.524 1.00 0.20 C ATOM 160 O VAL A 10 -8.873 0.400 10.108 1.00 0.22 O ATOM 161 CB VAL A 10 -8.232 2.023 7.382 1.00 0.21 C ATOM 162 CG1 VAL A 10 -7.572 3.214 8.049 1.00 0.26 C ATOM 163 CG2 VAL A 10 -7.968 2.042 5.889 1.00 0.24 C ATOM 0 H VAL A 10 -9.188 -0.150 6.729 1.00 0.19 H new ATOM 0 HA VAL A 10 -6.708 0.516 7.741 1.00 0.19 H new ATOM 0 HB VAL A 10 -9.306 2.099 7.552 1.00 0.21 H new ATOM 0 HG11 VAL A 10 -7.932 4.134 7.589 1.00 0.26 H new ATOM 0 HG12 VAL A 10 -7.818 3.219 9.111 1.00 0.26 H new ATOM 0 HG13 VAL A 10 -6.491 3.147 7.927 1.00 0.26 H new ATOM 0 HG21 VAL A 10 -8.311 2.989 5.471 1.00 0.24 H new ATOM 0 HG22 VAL A 10 -6.899 1.931 5.707 1.00 0.24 H new ATOM 0 HG23 VAL A 10 -8.504 1.220 5.414 1.00 0.24 H new ATOM 173 N ASP A 11 -6.751 1.177 10.154 1.00 0.21 N ATOM 174 CA ASP A 11 -6.716 1.420 11.589 1.00 0.24 C ATOM 175 C ASP A 11 -7.784 2.445 11.968 1.00 0.25 C ATOM 176 O ASP A 11 -8.850 2.090 12.468 1.00 0.33 O ATOM 177 CB ASP A 11 -5.317 1.927 11.962 1.00 0.30 C ATOM 178 CG ASP A 11 -5.151 2.240 13.432 1.00 1.07 C ATOM 179 OD1 ASP A 11 -4.849 1.313 14.209 1.00 1.88 O ATOM 180 OD2 ASP A 11 -5.282 3.423 13.805 1.00 1.75 O ATOM 0 H ASP A 11 -5.866 1.358 9.681 1.00 0.21 H new ATOM 0 HA ASP A 11 -6.924 0.500 12.134 1.00 0.24 H new ATOM 0 HB2 ASP A 11 -4.581 1.176 11.675 1.00 0.30 H new ATOM 0 HB3 ASP A 11 -5.100 2.824 11.383 1.00 0.30 H new ATOM 185 N GLU A 12 -7.473 3.710 11.707 1.00 0.26 N ATOM 186 CA GLU A 12 -8.408 4.829 11.844 1.00 0.27 C ATOM 187 C GLU A 12 -7.899 5.967 10.977 1.00 0.26 C ATOM 188 O GLU A 12 -8.637 6.587 10.215 1.00 0.30 O ATOM 189 CB GLU A 12 -8.508 5.334 13.295 1.00 0.33 C ATOM 190 CG GLU A 12 -9.089 4.334 14.275 1.00 0.47 C ATOM 191 CD GLU A 12 -9.216 4.893 15.673 1.00 0.91 C ATOM 192 OE1 GLU A 12 -10.203 5.609 15.952 1.00 1.69 O ATOM 193 OE2 GLU A 12 -8.318 4.638 16.503 1.00 1.42 O ATOM 0 H GLU A 12 -6.547 3.995 11.388 1.00 0.26 H new ATOM 0 HA GLU A 12 -9.398 4.488 11.541 1.00 0.27 H new ATOM 0 HB2 GLU A 12 -7.513 5.620 13.635 1.00 0.33 H new ATOM 0 HB3 GLU A 12 -9.121 6.235 13.310 1.00 0.33 H new ATOM 0 HG2 GLU A 12 -10.071 4.017 13.924 1.00 0.47 H new ATOM 0 HG3 GLU A 12 -8.457 3.446 14.299 1.00 0.47 H new ATOM 200 N LEU A 13 -6.603 6.207 11.113 1.00 0.24 N ATOM 201 CA LEU A 13 -5.906 7.264 10.396 1.00 0.26 C ATOM 202 C LEU A 13 -5.767 6.925 8.917 1.00 0.26 C ATOM 203 O LEU A 13 -5.923 7.782 8.045 1.00 0.55 O ATOM 204 CB LEU A 13 -4.512 7.413 10.997 1.00 0.40 C ATOM 205 CG LEU A 13 -4.463 7.567 12.515 1.00 0.38 C ATOM 206 CD1 LEU A 13 -3.056 7.293 13.013 1.00 0.71 C ATOM 207 CD2 LEU A 13 -4.916 8.959 12.928 1.00 0.55 C ATOM 0 H LEU A 13 -5.999 5.666 11.732 1.00 0.24 H new ATOM 0 HA LEU A 13 -6.477 8.188 10.487 1.00 0.26 H new ATOM 0 HB2 LEU A 13 -3.920 6.541 10.719 1.00 0.40 H new ATOM 0 HB3 LEU A 13 -4.032 8.281 10.546 1.00 0.40 H new ATOM 0 HG LEU A 13 -5.144 6.845 12.965 1.00 0.38 H new ATOM 0 HD11 LEU A 13 -3.026 7.404 14.097 1.00 0.71 H new ATOM 0 HD12 LEU A 13 -2.766 6.277 12.744 1.00 0.71 H new ATOM 0 HD13 LEU A 13 -2.364 8.001 12.556 1.00 0.71 H new ATOM 0 HD21 LEU A 13 -4.874 9.048 14.014 1.00 0.55 H new ATOM 0 HD22 LEU A 13 -4.260 9.704 12.477 1.00 0.55 H new ATOM 0 HD23 LEU A 13 -5.939 9.124 12.590 1.00 0.55 H new ATOM 219 N GLY A 14 -5.482 5.660 8.658 1.00 0.21 N ATOM 220 CA GLY A 14 -5.123 5.219 7.327 1.00 0.16 C ATOM 221 C GLY A 14 -4.071 4.132 7.383 1.00 0.12 C ATOM 222 O GLY A 14 -3.673 3.579 6.363 1.00 0.11 O ATOM 0 H GLY A 14 -5.493 4.919 9.359 1.00 0.21 H new ATOM 0 HA2 GLY A 14 -6.009 4.847 6.812 1.00 0.16 H new ATOM 0 HA3 GLY A 14 -4.749 6.063 6.748 1.00 0.16 H new ATOM 226 N ARG A 15 -3.633 3.818 8.593 1.00 0.12 N ATOM 227 CA ARG A 15 -2.583 2.832 8.799 1.00 0.13 C ATOM 228 C ARG A 15 -3.122 1.428 8.564 1.00 0.11 C ATOM 229 O ARG A 15 -4.165 1.068 9.104 1.00 0.13 O ATOM 230 CB ARG A 15 -2.036 2.931 10.225 1.00 0.17 C ATOM 231 CG ARG A 15 -1.768 4.354 10.682 1.00 0.21 C ATOM 232 CD ARG A 15 -1.012 4.378 11.997 1.00 0.28 C ATOM 233 NE ARG A 15 -0.260 5.618 12.188 1.00 1.31 N ATOM 234 CZ ARG A 15 0.178 6.048 13.370 1.00 1.71 C ATOM 235 NH1 ARG A 15 -0.157 5.408 14.485 1.00 1.58 N ATOM 236 NH2 ARG A 15 0.923 7.139 13.434 1.00 2.72 N ATOM 0 H ARG A 15 -3.991 4.235 9.452 1.00 0.12 H new ATOM 0 HA ARG A 15 -1.781 3.033 8.089 1.00 0.13 H new ATOM 0 HB2 ARG A 15 -2.746 2.467 10.909 1.00 0.17 H new ATOM 0 HB3 ARG A 15 -1.111 2.358 10.290 1.00 0.17 H new ATOM 0 HG2 ARG A 15 -1.193 4.881 9.920 1.00 0.21 H new ATOM 0 HG3 ARG A 15 -2.713 4.886 10.793 1.00 0.21 H new ATOM 0 HD2 ARG A 15 -1.716 4.254 12.820 1.00 0.28 H new ATOM 0 HD3 ARG A 15 -0.326 3.532 12.034 1.00 0.28 H new ATOM 0 HE ARG A 15 -0.059 6.188 11.366 1.00 1.31 H new ATOM 0 HH11 ARG A 15 -0.753 4.582 14.439 1.00 1.58 H new ATOM 0 HH12 ARG A 15 0.182 5.743 15.387 1.00 1.58 H new ATOM 0 HH21 ARG A 15 1.159 7.646 12.581 1.00 2.72 H new ATOM 0 HH22 ARG A 15 1.261 7.473 14.336 1.00 2.72 H new ATOM 250 N ILE A 16 -2.428 0.648 7.745 1.00 0.10 N ATOM 251 CA ILE A 16 -2.814 -0.738 7.509 1.00 0.10 C ATOM 252 C ILE A 16 -1.565 -1.617 7.511 1.00 0.09 C ATOM 253 O ILE A 16 -0.454 -1.124 7.695 1.00 0.10 O ATOM 254 CB ILE A 16 -3.608 -0.929 6.182 1.00 0.11 C ATOM 255 CG1 ILE A 16 -2.672 -1.132 4.987 1.00 0.12 C ATOM 256 CG2 ILE A 16 -4.531 0.253 5.927 1.00 0.14 C ATOM 257 CD1 ILE A 16 -3.380 -1.127 3.647 1.00 0.16 C ATOM 0 H ILE A 16 -1.598 0.950 7.235 1.00 0.10 H new ATOM 0 HA ILE A 16 -3.485 -1.034 8.315 1.00 0.10 H new ATOM 0 HB ILE A 16 -4.212 -1.830 6.295 1.00 0.11 H new ATOM 0 HG12 ILE A 16 -1.917 -0.346 4.991 1.00 0.12 H new ATOM 0 HG13 ILE A 16 -2.146 -2.079 5.106 1.00 0.12 H new ATOM 0 HG21 ILE A 16 -5.074 0.096 4.995 1.00 0.14 H new ATOM 0 HG22 ILE A 16 -5.240 0.345 6.749 1.00 0.14 H new ATOM 0 HG23 ILE A 16 -3.941 1.166 5.853 1.00 0.14 H new ATOM 0 HD11 ILE A 16 -2.652 -1.276 2.850 1.00 0.16 H new ATOM 0 HD12 ILE A 16 -4.116 -1.931 3.621 1.00 0.16 H new ATOM 0 HD13 ILE A 16 -3.883 -0.170 3.505 1.00 0.16 H new ATOM 269 N VAL A 17 -1.730 -2.908 7.300 1.00 0.09 N ATOM 270 CA VAL A 17 -0.599 -3.810 7.369 1.00 0.10 C ATOM 271 C VAL A 17 -0.278 -4.385 5.997 1.00 0.11 C ATOM 272 O VAL A 17 -1.114 -5.029 5.361 1.00 0.16 O ATOM 273 CB VAL A 17 -0.819 -4.947 8.400 1.00 0.12 C ATOM 274 CG1 VAL A 17 -2.102 -5.714 8.130 1.00 0.16 C ATOM 275 CG2 VAL A 17 0.375 -5.890 8.425 1.00 0.16 C ATOM 0 H VAL A 17 -2.623 -3.351 7.082 1.00 0.09 H new ATOM 0 HA VAL A 17 0.255 -3.224 7.710 1.00 0.10 H new ATOM 0 HB VAL A 17 -0.916 -4.482 9.381 1.00 0.12 H new ATOM 0 HG11 VAL A 17 -2.219 -6.502 8.874 1.00 0.16 H new ATOM 0 HG12 VAL A 17 -2.951 -5.033 8.186 1.00 0.16 H new ATOM 0 HG13 VAL A 17 -2.058 -6.158 7.136 1.00 0.16 H new ATOM 0 HG21 VAL A 17 0.199 -6.680 9.155 1.00 0.16 H new ATOM 0 HG22 VAL A 17 0.510 -6.332 7.438 1.00 0.16 H new ATOM 0 HG23 VAL A 17 1.272 -5.335 8.700 1.00 0.16 H new ATOM 285 N MET A 18 0.930 -4.112 5.534 1.00 0.09 N ATOM 286 CA MET A 18 1.423 -4.718 4.306 1.00 0.09 C ATOM 287 C MET A 18 2.006 -6.076 4.661 1.00 0.09 C ATOM 288 O MET A 18 2.495 -6.262 5.776 1.00 0.15 O ATOM 289 CB MET A 18 2.493 -3.847 3.641 1.00 0.12 C ATOM 290 CG MET A 18 2.075 -2.405 3.383 1.00 0.17 C ATOM 291 SD MET A 18 1.380 -2.152 1.739 1.00 0.84 S ATOM 292 CE MET A 18 -0.258 -2.840 1.914 1.00 0.61 C ATOM 0 H MET A 18 1.587 -3.477 5.987 1.00 0.09 H new ATOM 0 HA MET A 18 0.602 -4.819 3.596 1.00 0.09 H new ATOM 0 HB2 MET A 18 3.383 -3.845 4.271 1.00 0.12 H new ATOM 0 HB3 MET A 18 2.775 -4.304 2.692 1.00 0.12 H new ATOM 0 HG2 MET A 18 1.340 -2.107 4.131 1.00 0.17 H new ATOM 0 HG3 MET A 18 2.940 -1.754 3.509 1.00 0.17 H new ATOM 0 HE1 MET A 18 -0.933 -2.356 1.209 1.00 0.61 H new ATOM 0 HE2 MET A 18 -0.227 -3.910 1.710 1.00 0.61 H new ATOM 0 HE3 MET A 18 -0.615 -2.675 2.930 1.00 0.61 H new ATOM 302 N PRO A 19 1.968 -7.044 3.749 1.00 0.09 N ATOM 303 CA PRO A 19 2.360 -8.399 4.058 1.00 0.11 C ATOM 304 C PRO A 19 3.845 -8.681 3.829 1.00 0.12 C ATOM 305 O PRO A 19 4.579 -7.896 3.199 1.00 0.12 O ATOM 306 CB PRO A 19 1.501 -9.222 3.100 1.00 0.13 C ATOM 307 CG PRO A 19 1.237 -8.333 1.924 1.00 0.14 C ATOM 308 CD PRO A 19 1.554 -6.909 2.349 1.00 0.12 C ATOM 0 HA PRO A 19 2.214 -8.628 5.114 1.00 0.11 H new ATOM 0 HB2 PRO A 19 2.018 -10.132 2.794 1.00 0.13 H new ATOM 0 HB3 PRO A 19 0.569 -9.529 3.575 1.00 0.13 H new ATOM 0 HG2 PRO A 19 1.855 -8.626 1.075 1.00 0.14 H new ATOM 0 HG3 PRO A 19 0.198 -8.416 1.606 1.00 0.14 H new ATOM 0 HD2 PRO A 19 2.346 -6.476 1.738 1.00 0.12 H new ATOM 0 HD3 PRO A 19 0.684 -6.259 2.250 1.00 0.12 H new ATOM 316 N ILE A 20 4.285 -9.812 4.360 1.00 0.16 N ATOM 317 CA ILE A 20 5.613 -10.335 4.086 1.00 0.18 C ATOM 318 C ILE A 20 5.889 -10.347 2.586 1.00 0.17 C ATOM 319 O ILE A 20 7.012 -10.107 2.156 1.00 0.18 O ATOM 320 CB ILE A 20 5.756 -11.765 4.652 1.00 0.24 C ATOM 321 CG1 ILE A 20 7.098 -12.391 4.267 1.00 0.29 C ATOM 322 CG2 ILE A 20 4.602 -12.643 4.185 1.00 0.26 C ATOM 323 CD1 ILE A 20 8.295 -11.705 4.879 1.00 0.32 C ATOM 0 H ILE A 20 3.732 -10.391 4.992 1.00 0.16 H new ATOM 0 HA ILE A 20 6.339 -9.684 4.572 1.00 0.18 H new ATOM 0 HB ILE A 20 5.724 -11.695 5.739 1.00 0.24 H new ATOM 0 HG12 ILE A 20 7.099 -13.438 4.570 1.00 0.29 H new ATOM 0 HG13 ILE A 20 7.197 -12.373 3.182 1.00 0.29 H new ATOM 0 HG21 ILE A 20 4.720 -13.647 4.594 1.00 0.26 H new ATOM 0 HG22 ILE A 20 3.659 -12.219 4.531 1.00 0.26 H new ATOM 0 HG23 ILE A 20 4.600 -12.693 3.096 1.00 0.26 H new ATOM 0 HD11 ILE A 20 9.207 -12.208 4.557 1.00 0.32 H new ATOM 0 HD12 ILE A 20 8.322 -10.664 4.556 1.00 0.32 H new ATOM 0 HD13 ILE A 20 8.222 -11.746 5.966 1.00 0.32 H new ATOM 335 N GLU A 21 4.843 -10.603 1.803 1.00 0.17 N ATOM 336 CA GLU A 21 4.925 -10.588 0.346 1.00 0.18 C ATOM 337 C GLU A 21 5.516 -9.281 -0.139 1.00 0.16 C ATOM 338 O GLU A 21 6.309 -9.254 -1.071 1.00 0.18 O ATOM 339 CB GLU A 21 3.537 -10.725 -0.249 1.00 0.21 C ATOM 340 CG GLU A 21 2.581 -11.507 0.628 1.00 0.20 C ATOM 341 CD GLU A 21 2.365 -12.924 0.147 1.00 0.35 C ATOM 342 OE1 GLU A 21 1.496 -13.137 -0.717 1.00 1.27 O ATOM 343 OE2 GLU A 21 3.067 -13.832 0.632 1.00 0.96 O ATOM 0 H GLU A 21 3.915 -10.827 2.162 1.00 0.17 H new ATOM 0 HA GLU A 21 5.558 -11.419 0.035 1.00 0.18 H new ATOM 0 HB2 GLU A 21 3.126 -9.731 -0.426 1.00 0.21 H new ATOM 0 HB3 GLU A 21 3.613 -11.216 -1.219 1.00 0.21 H new ATOM 0 HG2 GLU A 21 2.967 -11.530 1.647 1.00 0.20 H new ATOM 0 HG3 GLU A 21 1.622 -10.990 0.662 1.00 0.20 H new ATOM 350 N LEU A 22 5.130 -8.201 0.526 1.00 0.14 N ATOM 351 CA LEU A 22 5.598 -6.877 0.171 1.00 0.15 C ATOM 352 C LEU A 22 7.078 -6.770 0.470 1.00 0.15 C ATOM 353 O LEU A 22 7.851 -6.272 -0.343 1.00 0.16 O ATOM 354 CB LEU A 22 4.813 -5.807 0.943 1.00 0.18 C ATOM 355 CG LEU A 22 5.633 -4.597 1.414 1.00 0.23 C ATOM 356 CD1 LEU A 22 4.897 -3.301 1.114 1.00 0.29 C ATOM 357 CD2 LEU A 22 5.927 -4.706 2.909 1.00 0.32 C ATOM 0 H LEU A 22 4.489 -8.221 1.319 1.00 0.14 H new ATOM 0 HA LEU A 22 5.436 -6.712 -0.894 1.00 0.15 H new ATOM 0 HB2 LEU A 22 4.001 -5.449 0.310 1.00 0.18 H new ATOM 0 HB3 LEU A 22 4.355 -6.275 1.814 1.00 0.18 H new ATOM 0 HG LEU A 22 6.578 -4.589 0.871 1.00 0.23 H new ATOM 0 HD11 LEU A 22 5.495 -2.456 1.455 1.00 0.29 H new ATOM 0 HD12 LEU A 22 4.730 -3.217 0.040 1.00 0.29 H new ATOM 0 HD13 LEU A 22 3.938 -3.299 1.631 1.00 0.29 H new ATOM 0 HD21 LEU A 22 6.509 -3.842 3.229 1.00 0.32 H new ATOM 0 HD22 LEU A 22 4.989 -4.737 3.463 1.00 0.32 H new ATOM 0 HD23 LEU A 22 6.493 -5.617 3.103 1.00 0.32 H new ATOM 369 N ARG A 23 7.471 -7.257 1.640 1.00 0.17 N ATOM 370 CA ARG A 23 8.877 -7.223 2.025 1.00 0.20 C ATOM 371 C ARG A 23 9.719 -8.031 1.048 1.00 0.21 C ATOM 372 O ARG A 23 10.758 -7.562 0.578 1.00 0.23 O ATOM 373 CB ARG A 23 9.084 -7.767 3.448 1.00 0.26 C ATOM 374 CG ARG A 23 8.189 -7.124 4.495 1.00 0.35 C ATOM 375 CD ARG A 23 8.722 -7.332 5.917 1.00 0.43 C ATOM 376 NE ARG A 23 9.047 -8.719 6.242 1.00 0.58 N ATOM 377 CZ ARG A 23 8.742 -9.294 7.407 1.00 0.42 C ATOM 378 NH1 ARG A 23 7.952 -8.674 8.272 1.00 0.82 N ATOM 379 NH2 ARG A 23 9.216 -10.498 7.693 1.00 0.82 N ATOM 0 H ARG A 23 6.847 -7.675 2.330 1.00 0.17 H new ATOM 0 HA ARG A 23 9.194 -6.180 2.002 1.00 0.20 H new ATOM 0 HB2 ARG A 23 8.905 -8.842 3.444 1.00 0.26 H new ATOM 0 HB3 ARG A 23 10.125 -7.618 3.734 1.00 0.26 H new ATOM 0 HG2 ARG A 23 8.105 -6.056 4.293 1.00 0.35 H new ATOM 0 HG3 ARG A 23 7.185 -7.543 4.420 1.00 0.35 H new ATOM 0 HD2 ARG A 23 9.615 -6.721 6.050 1.00 0.43 H new ATOM 0 HD3 ARG A 23 7.979 -6.969 6.627 1.00 0.43 H new ATOM 0 HE ARG A 23 9.533 -9.278 5.541 1.00 0.58 H new ATOM 0 HH11 ARG A 23 7.574 -7.753 8.049 1.00 0.82 H new ATOM 0 HH12 ARG A 23 7.722 -9.118 9.161 1.00 0.82 H new ATOM 0 HH21 ARG A 23 9.813 -10.983 7.023 1.00 0.82 H new ATOM 0 HH22 ARG A 23 8.984 -10.939 8.583 1.00 0.82 H new ATOM 393 N ARG A 24 9.263 -9.244 0.774 1.00 0.21 N ATOM 394 CA ARG A 24 9.936 -10.163 -0.141 1.00 0.24 C ATOM 395 C ARG A 24 10.034 -9.588 -1.547 1.00 0.23 C ATOM 396 O ARG A 24 11.121 -9.546 -2.124 1.00 0.25 O ATOM 397 CB ARG A 24 9.188 -11.492 -0.178 1.00 0.25 C ATOM 398 CG ARG A 24 9.009 -12.109 1.195 1.00 0.29 C ATOM 399 CD ARG A 24 7.978 -13.228 1.179 1.00 0.33 C ATOM 400 NE ARG A 24 8.443 -14.417 0.472 1.00 0.45 N ATOM 401 CZ ARG A 24 7.770 -15.565 0.440 1.00 0.70 C ATOM 402 NH1 ARG A 24 6.584 -15.659 1.031 1.00 0.87 N ATOM 403 NH2 ARG A 24 8.277 -16.613 -0.195 1.00 0.86 N ATOM 0 H ARG A 24 8.409 -9.624 1.182 1.00 0.21 H new ATOM 0 HA ARG A 24 10.950 -10.318 0.227 1.00 0.24 H new ATOM 0 HB2 ARG A 24 8.209 -11.339 -0.632 1.00 0.25 H new ATOM 0 HB3 ARG A 24 9.730 -12.190 -0.816 1.00 0.25 H new ATOM 0 HG2 ARG A 24 9.964 -12.499 1.546 1.00 0.29 H new ATOM 0 HG3 ARG A 24 8.700 -11.339 1.902 1.00 0.29 H new ATOM 0 HD2 ARG A 24 7.725 -13.497 2.205 1.00 0.33 H new ATOM 0 HD3 ARG A 24 7.063 -12.866 0.709 1.00 0.33 H new ATOM 0 HE ARG A 24 9.332 -14.366 -0.025 1.00 0.45 H new ATOM 0 HH11 ARG A 24 6.188 -14.851 1.510 1.00 0.87 H new ATOM 0 HH12 ARG A 24 6.070 -16.540 1.005 1.00 0.87 H new ATOM 0 HH21 ARG A 24 9.182 -16.539 -0.659 1.00 0.86 H new ATOM 0 HH22 ARG A 24 7.761 -17.493 -0.220 1.00 0.86 H new ATOM 417 N ALA A 25 8.896 -9.160 -2.094 1.00 0.21 N ATOM 418 CA ALA A 25 8.855 -8.538 -3.414 1.00 0.23 C ATOM 419 C ALA A 25 9.843 -7.390 -3.510 1.00 0.24 C ATOM 420 O ALA A 25 10.577 -7.255 -4.490 1.00 0.27 O ATOM 421 CB ALA A 25 7.460 -8.020 -3.714 1.00 0.23 C ATOM 0 H ALA A 25 7.986 -9.234 -1.639 1.00 0.21 H new ATOM 0 HA ALA A 25 9.127 -9.300 -4.144 1.00 0.23 H new ATOM 0 HB1 ALA A 25 7.448 -7.559 -4.702 1.00 0.23 H new ATOM 0 HB2 ALA A 25 6.752 -8.848 -3.691 1.00 0.23 H new ATOM 0 HB3 ALA A 25 7.178 -7.280 -2.965 1.00 0.23 H new ATOM 427 N LEU A 26 9.855 -6.576 -2.472 1.00 0.24 N ATOM 428 CA LEU A 26 10.668 -5.382 -2.444 1.00 0.27 C ATOM 429 C LEU A 26 12.052 -5.665 -1.870 1.00 0.29 C ATOM 430 O LEU A 26 12.929 -6.173 -2.569 1.00 0.37 O ATOM 431 CB LEU A 26 9.950 -4.303 -1.635 1.00 0.24 C ATOM 432 CG LEU A 26 8.625 -3.829 -2.241 1.00 0.25 C ATOM 433 CD1 LEU A 26 7.960 -2.790 -1.353 1.00 0.24 C ATOM 434 CD2 LEU A 26 8.860 -3.263 -3.628 1.00 0.32 C ATOM 0 H LEU A 26 9.302 -6.726 -1.628 1.00 0.24 H new ATOM 0 HA LEU A 26 10.812 -5.030 -3.465 1.00 0.27 H new ATOM 0 HB2 LEU A 26 9.760 -4.685 -0.632 1.00 0.24 H new ATOM 0 HB3 LEU A 26 10.614 -3.445 -1.529 1.00 0.24 H new ATOM 0 HG LEU A 26 7.957 -4.687 -2.316 1.00 0.25 H new ATOM 0 HD11 LEU A 26 7.022 -2.471 -1.807 1.00 0.24 H new ATOM 0 HD12 LEU A 26 7.760 -3.223 -0.373 1.00 0.24 H new ATOM 0 HD13 LEU A 26 8.620 -1.930 -1.242 1.00 0.24 H new ATOM 0 HD21 LEU A 26 7.912 -2.929 -4.050 1.00 0.32 H new ATOM 0 HD22 LEU A 26 9.547 -2.419 -3.565 1.00 0.32 H new ATOM 0 HD23 LEU A 26 9.290 -4.034 -4.267 1.00 0.32 H new ATOM 446 N ASP A 27 12.235 -5.366 -0.590 1.00 0.27 N ATOM 447 CA ASP A 27 13.529 -5.543 0.062 1.00 0.33 C ATOM 448 C ASP A 27 13.403 -5.257 1.555 1.00 0.37 C ATOM 449 O ASP A 27 14.399 -5.045 2.247 1.00 0.59 O ATOM 450 CB ASP A 27 14.564 -4.603 -0.576 1.00 0.40 C ATOM 451 CG ASP A 27 15.996 -4.942 -0.203 1.00 0.51 C ATOM 452 OD1 ASP A 27 16.466 -6.044 -0.567 1.00 1.37 O ATOM 453 OD2 ASP A 27 16.673 -4.096 0.422 1.00 1.10 O ATOM 0 H ASP A 27 11.503 -4.999 0.019 1.00 0.27 H new ATOM 0 HA ASP A 27 13.860 -6.573 -0.069 1.00 0.33 H new ATOM 0 HB2 ASP A 27 14.460 -4.642 -1.660 1.00 0.40 H new ATOM 0 HB3 ASP A 27 14.350 -3.578 -0.272 1.00 0.40 H new ATOM 458 N ILE A 28 12.172 -5.308 2.064 1.00 0.28 N ATOM 459 CA ILE A 28 11.905 -4.852 3.428 1.00 0.29 C ATOM 460 C ILE A 28 12.491 -5.813 4.448 1.00 0.28 C ATOM 461 O ILE A 28 12.239 -7.019 4.397 1.00 0.29 O ATOM 462 CB ILE A 28 10.394 -4.661 3.734 1.00 0.31 C ATOM 463 CG1 ILE A 28 9.797 -3.466 2.986 1.00 0.33 C ATOM 464 CG2 ILE A 28 10.178 -4.479 5.230 1.00 0.36 C ATOM 465 CD1 ILE A 28 9.602 -3.691 1.511 1.00 0.37 C ATOM 0 H ILE A 28 11.355 -5.655 1.561 1.00 0.28 H new ATOM 0 HA ILE A 28 12.385 -3.876 3.504 1.00 0.29 H new ATOM 0 HB ILE A 28 9.884 -5.561 3.390 1.00 0.31 H new ATOM 0 HG12 ILE A 28 8.835 -3.216 3.434 1.00 0.33 H new ATOM 0 HG13 ILE A 28 10.448 -2.603 3.127 1.00 0.33 H new ATOM 0 HG21 ILE A 28 9.115 -4.346 5.431 1.00 0.36 H new ATOM 0 HG22 ILE A 28 10.540 -5.360 5.760 1.00 0.36 H new ATOM 0 HG23 ILE A 28 10.724 -3.600 5.572 1.00 0.36 H new ATOM 0 HD11 ILE A 28 9.175 -2.795 1.060 1.00 0.37 H new ATOM 0 HD12 ILE A 28 10.563 -3.909 1.046 1.00 0.37 H new ATOM 0 HD13 ILE A 28 8.926 -4.532 1.358 1.00 0.37 H new ATOM 477 N ALA A 29 13.271 -5.272 5.372 1.00 0.31 N ATOM 478 CA ALA A 29 13.837 -6.076 6.439 1.00 0.33 C ATOM 479 C ALA A 29 13.061 -5.875 7.730 1.00 0.34 C ATOM 480 O ALA A 29 12.673 -6.838 8.391 1.00 0.43 O ATOM 481 CB ALA A 29 15.311 -5.758 6.635 1.00 0.34 C ATOM 0 H ALA A 29 13.524 -4.284 5.403 1.00 0.31 H new ATOM 0 HA ALA A 29 13.757 -7.125 6.154 1.00 0.33 H new ATOM 0 HB1 ALA A 29 15.712 -6.374 7.440 1.00 0.34 H new ATOM 0 HB2 ALA A 29 15.854 -5.967 5.713 1.00 0.34 H new ATOM 0 HB3 ALA A 29 15.425 -4.705 6.892 1.00 0.34 H new ATOM 487 N ILE A 30 12.818 -4.622 8.075 1.00 0.29 N ATOM 488 CA ILE A 30 12.053 -4.306 9.269 1.00 0.32 C ATOM 489 C ILE A 30 11.328 -2.973 9.087 1.00 0.34 C ATOM 490 O ILE A 30 10.186 -2.823 9.506 1.00 0.44 O ATOM 491 CB ILE A 30 12.960 -4.301 10.535 1.00 0.34 C ATOM 492 CG1 ILE A 30 12.132 -4.266 11.832 1.00 0.42 C ATOM 493 CG2 ILE A 30 13.963 -3.153 10.498 1.00 0.31 C ATOM 494 CD1 ILE A 30 11.690 -2.886 12.273 1.00 0.39 C ATOM 0 H ILE A 30 13.138 -3.810 7.548 1.00 0.29 H new ATOM 0 HA ILE A 30 11.304 -5.083 9.420 1.00 0.32 H new ATOM 0 HB ILE A 30 13.520 -5.236 10.528 1.00 0.34 H new ATOM 0 HG12 ILE A 30 11.247 -4.888 11.697 1.00 0.42 H new ATOM 0 HG13 ILE A 30 12.719 -4.716 12.632 1.00 0.42 H new ATOM 0 HG21 ILE A 30 14.580 -3.180 11.396 1.00 0.31 H new ATOM 0 HG22 ILE A 30 14.599 -3.254 9.618 1.00 0.31 H new ATOM 0 HG23 ILE A 30 13.428 -2.204 10.453 1.00 0.31 H new ATOM 0 HD11 ILE A 30 11.114 -2.966 13.195 1.00 0.39 H new ATOM 0 HD12 ILE A 30 12.566 -2.261 12.446 1.00 0.39 H new ATOM 0 HD13 ILE A 30 11.071 -2.437 11.496 1.00 0.39 H new ATOM 506 N LYS A 31 11.988 -2.015 8.442 1.00 0.32 N ATOM 507 CA LYS A 31 11.372 -0.725 8.153 1.00 0.37 C ATOM 508 C LYS A 31 11.529 -0.389 6.671 1.00 0.37 C ATOM 509 O LYS A 31 10.603 0.104 6.028 1.00 0.57 O ATOM 510 CB LYS A 31 12.008 0.370 9.013 1.00 0.39 C ATOM 511 CG LYS A 31 11.987 0.066 10.504 1.00 0.39 C ATOM 512 CD LYS A 31 12.328 1.292 11.333 1.00 0.45 C ATOM 513 CE LYS A 31 11.175 2.277 11.350 1.00 0.46 C ATOM 514 NZ LYS A 31 11.535 3.548 12.032 1.00 0.65 N ATOM 0 H LYS A 31 12.948 -2.108 8.110 1.00 0.32 H new ATOM 0 HA LYS A 31 10.310 -0.782 8.390 1.00 0.37 H new ATOM 0 HB2 LYS A 31 13.040 0.515 8.695 1.00 0.39 H new ATOM 0 HB3 LYS A 31 11.484 1.309 8.835 1.00 0.39 H new ATOM 0 HG2 LYS A 31 11.000 -0.301 10.786 1.00 0.39 H new ATOM 0 HG3 LYS A 31 12.698 -0.730 10.723 1.00 0.39 H new ATOM 0 HD2 LYS A 31 12.568 0.990 12.353 1.00 0.45 H new ATOM 0 HD3 LYS A 31 13.217 1.774 10.926 1.00 0.45 H new ATOM 0 HE2 LYS A 31 10.866 2.490 10.327 1.00 0.46 H new ATOM 0 HE3 LYS A 31 10.320 1.825 11.854 1.00 0.46 H new ATOM 0 HZ1 LYS A 31 10.718 4.192 12.020 1.00 0.65 H new ATOM 0 HZ2 LYS A 31 11.805 3.349 13.016 1.00 0.65 H new ATOM 0 HZ3 LYS A 31 12.334 3.993 11.537 1.00 0.65 H new ATOM 528 N ASP A 32 12.718 -0.671 6.159 1.00 0.24 N ATOM 529 CA ASP A 32 13.057 -0.529 4.742 1.00 0.25 C ATOM 530 C ASP A 32 12.750 0.864 4.164 1.00 0.35 C ATOM 531 O ASP A 32 13.534 1.777 4.381 1.00 0.84 O ATOM 532 CB ASP A 32 12.387 -1.621 3.928 1.00 0.31 C ATOM 533 CG ASP A 32 13.167 -1.938 2.681 1.00 1.17 C ATOM 534 OD1 ASP A 32 14.385 -2.168 2.795 1.00 1.91 O ATOM 535 OD2 ASP A 32 12.577 -1.963 1.591 1.00 1.80 O ATOM 0 H ASP A 32 13.494 -1.013 6.726 1.00 0.24 H new ATOM 0 HA ASP A 32 14.139 -0.639 4.672 1.00 0.25 H new ATOM 0 HB2 ASP A 32 12.289 -2.521 4.536 1.00 0.31 H new ATOM 0 HB3 ASP A 32 11.379 -1.308 3.658 1.00 0.31 H new ATOM 540 N SER A 33 11.613 1.010 3.447 1.00 0.25 N ATOM 541 CA SER A 33 11.165 2.272 2.795 1.00 0.19 C ATOM 542 C SER A 33 10.047 1.955 1.800 1.00 0.19 C ATOM 543 O SER A 33 10.257 1.187 0.868 1.00 0.28 O ATOM 544 CB SER A 33 12.264 3.003 1.992 1.00 0.24 C ATOM 545 OG SER A 33 13.229 3.631 2.816 1.00 0.27 O ATOM 0 H SER A 33 10.963 0.238 3.299 1.00 0.25 H new ATOM 0 HA SER A 33 10.851 2.921 3.613 1.00 0.19 H new ATOM 0 HB2 SER A 33 12.763 2.289 1.338 1.00 0.24 H new ATOM 0 HB3 SER A 33 11.800 3.752 1.351 1.00 0.24 H new ATOM 0 HG SER A 33 13.718 2.950 3.324 1.00 0.27 H new ATOM 551 N ILE A 34 8.866 2.533 1.974 1.00 0.16 N ATOM 552 CA ILE A 34 7.791 2.315 1.004 1.00 0.18 C ATOM 553 C ILE A 34 7.137 3.633 0.616 1.00 0.15 C ATOM 554 O ILE A 34 6.575 4.322 1.453 1.00 0.16 O ATOM 555 CB ILE A 34 6.694 1.348 1.506 1.00 0.26 C ATOM 556 CG1 ILE A 34 7.277 0.160 2.276 1.00 0.46 C ATOM 557 CG2 ILE A 34 5.900 0.837 0.322 1.00 0.76 C ATOM 558 CD1 ILE A 34 7.538 0.456 3.734 1.00 0.58 C ATOM 0 H ILE A 34 8.627 3.143 2.756 1.00 0.16 H new ATOM 0 HA ILE A 34 8.269 1.855 0.139 1.00 0.18 H new ATOM 0 HB ILE A 34 6.052 1.902 2.191 1.00 0.26 H new ATOM 0 HG12 ILE A 34 6.590 -0.683 2.202 1.00 0.46 H new ATOM 0 HG13 ILE A 34 8.210 -0.147 1.803 1.00 0.46 H new ATOM 0 HG21 ILE A 34 5.125 0.155 0.671 1.00 0.76 H new ATOM 0 HG22 ILE A 34 5.437 1.677 -0.196 1.00 0.76 H new ATOM 0 HG23 ILE A 34 6.565 0.311 -0.363 1.00 0.76 H new ATOM 0 HD11 ILE A 34 7.950 -0.430 4.217 1.00 0.58 H new ATOM 0 HD12 ILE A 34 8.249 1.278 3.817 1.00 0.58 H new ATOM 0 HD13 ILE A 34 6.604 0.734 4.222 1.00 0.58 H new ATOM 570 N GLU A 35 7.194 3.958 -0.659 1.00 0.13 N ATOM 571 CA GLU A 35 6.732 5.246 -1.162 1.00 0.13 C ATOM 572 C GLU A 35 5.557 5.049 -2.124 1.00 0.13 C ATOM 573 O GLU A 35 5.661 4.277 -3.082 1.00 0.17 O ATOM 574 CB GLU A 35 7.906 5.929 -1.861 1.00 0.16 C ATOM 575 CG GLU A 35 7.552 7.190 -2.618 1.00 0.23 C ATOM 576 CD GLU A 35 8.651 7.575 -3.580 1.00 0.38 C ATOM 577 OE1 GLU A 35 8.757 6.919 -4.639 1.00 1.21 O ATOM 578 OE2 GLU A 35 9.417 8.507 -3.279 1.00 1.13 O ATOM 0 H GLU A 35 7.562 3.339 -1.381 1.00 0.13 H new ATOM 0 HA GLU A 35 6.380 5.872 -0.342 1.00 0.13 H new ATOM 0 HB2 GLU A 35 8.663 6.171 -1.115 1.00 0.16 H new ATOM 0 HB3 GLU A 35 8.358 5.221 -2.555 1.00 0.16 H new ATOM 0 HG2 GLU A 35 6.622 7.040 -3.166 1.00 0.23 H new ATOM 0 HG3 GLU A 35 7.380 8.004 -1.914 1.00 0.23 H new ATOM 585 N PHE A 36 4.449 5.756 -1.892 1.00 0.13 N ATOM 586 CA PHE A 36 3.201 5.440 -2.592 1.00 0.12 C ATOM 587 C PHE A 36 2.796 6.481 -3.646 1.00 0.14 C ATOM 588 O PHE A 36 3.136 7.665 -3.567 1.00 0.16 O ATOM 589 CB PHE A 36 2.037 5.240 -1.608 1.00 0.15 C ATOM 590 CG PHE A 36 2.448 5.115 -0.171 1.00 0.14 C ATOM 591 CD1 PHE A 36 3.187 4.028 0.263 1.00 1.24 C ATOM 592 CD2 PHE A 36 2.090 6.086 0.746 1.00 1.11 C ATOM 593 CE1 PHE A 36 3.562 3.916 1.584 1.00 1.33 C ATOM 594 CE2 PHE A 36 2.460 5.978 2.069 1.00 1.06 C ATOM 595 CZ PHE A 36 3.196 4.892 2.488 1.00 0.36 C ATOM 0 H PHE A 36 4.389 6.537 -1.238 1.00 0.13 H new ATOM 0 HA PHE A 36 3.408 4.508 -3.119 1.00 0.12 H new ATOM 0 HB2 PHE A 36 1.349 6.080 -1.704 1.00 0.15 H new ATOM 0 HB3 PHE A 36 1.487 4.344 -1.894 1.00 0.15 H new ATOM 0 HD1 PHE A 36 3.472 3.260 -0.441 1.00 1.24 H new ATOM 0 HD2 PHE A 36 1.513 6.940 0.421 1.00 1.11 H new ATOM 0 HE1 PHE A 36 4.142 3.066 1.911 1.00 1.33 H new ATOM 0 HE2 PHE A 36 2.174 6.743 2.775 1.00 1.06 H new ATOM 0 HZ PHE A 36 3.487 4.804 3.524 1.00 0.36 H new ATOM 605 N PHE A 37 2.067 5.977 -4.637 1.00 0.15 N ATOM 606 CA PHE A 37 1.480 6.755 -5.726 1.00 0.17 C ATOM 607 C PHE A 37 -0.017 6.516 -5.696 1.00 0.13 C ATOM 608 O PHE A 37 -0.469 5.522 -5.138 1.00 0.11 O ATOM 609 CB PHE A 37 2.060 6.254 -7.064 1.00 0.20 C ATOM 610 CG PHE A 37 1.871 7.173 -8.247 1.00 0.22 C ATOM 611 CD1 PHE A 37 0.729 7.102 -9.032 1.00 1.25 C ATOM 612 CD2 PHE A 37 2.854 8.086 -8.592 1.00 1.13 C ATOM 613 CE1 PHE A 37 0.570 7.927 -10.130 1.00 1.26 C ATOM 614 CE2 PHE A 37 2.702 8.912 -9.691 1.00 1.15 C ATOM 615 CZ PHE A 37 1.559 8.832 -10.461 1.00 0.33 C ATOM 0 H PHE A 37 1.861 4.981 -4.708 1.00 0.15 H new ATOM 0 HA PHE A 37 1.699 7.817 -5.618 1.00 0.17 H new ATOM 0 HB2 PHE A 37 3.127 6.077 -6.932 1.00 0.20 H new ATOM 0 HB3 PHE A 37 1.604 5.292 -7.299 1.00 0.20 H new ATOM 0 HD1 PHE A 37 -0.046 6.393 -8.782 1.00 1.25 H new ATOM 0 HD2 PHE A 37 3.751 8.154 -7.995 1.00 1.13 H new ATOM 0 HE1 PHE A 37 -0.327 7.864 -10.728 1.00 1.26 H new ATOM 0 HE2 PHE A 37 3.477 9.619 -9.947 1.00 1.15 H new ATOM 0 HZ PHE A 37 1.439 9.476 -11.320 1.00 0.33 H new ATOM 625 N VAL A 38 -0.784 7.419 -6.256 1.00 0.17 N ATOM 626 CA VAL A 38 -2.212 7.196 -6.375 1.00 0.18 C ATOM 627 C VAL A 38 -2.698 7.520 -7.780 1.00 0.21 C ATOM 628 O VAL A 38 -2.425 8.591 -8.326 1.00 0.25 O ATOM 629 CB VAL A 38 -3.015 7.980 -5.316 1.00 0.22 C ATOM 630 CG1 VAL A 38 -2.730 9.471 -5.382 1.00 0.26 C ATOM 631 CG2 VAL A 38 -4.505 7.713 -5.458 1.00 0.25 C ATOM 0 H VAL A 38 -0.453 8.307 -6.634 1.00 0.17 H new ATOM 0 HA VAL A 38 -2.387 6.137 -6.187 1.00 0.18 H new ATOM 0 HB VAL A 38 -2.691 7.626 -4.337 1.00 0.22 H new ATOM 0 HG11 VAL A 38 -3.315 9.987 -4.621 1.00 0.26 H new ATOM 0 HG12 VAL A 38 -1.669 9.647 -5.206 1.00 0.26 H new ATOM 0 HG13 VAL A 38 -3.002 9.850 -6.367 1.00 0.26 H new ATOM 0 HG21 VAL A 38 -5.049 8.277 -4.701 1.00 0.25 H new ATOM 0 HG22 VAL A 38 -4.837 8.022 -6.449 1.00 0.25 H new ATOM 0 HG23 VAL A 38 -4.698 6.648 -5.326 1.00 0.25 H new ATOM 641 N ASP A 39 -3.400 6.570 -8.363 1.00 0.24 N ATOM 642 CA ASP A 39 -3.877 6.686 -9.727 1.00 0.30 C ATOM 643 C ASP A 39 -5.380 6.479 -9.771 1.00 0.32 C ATOM 644 O ASP A 39 -5.852 5.344 -9.820 1.00 0.29 O ATOM 645 CB ASP A 39 -3.179 5.648 -10.611 1.00 0.30 C ATOM 646 CG ASP A 39 -3.586 5.744 -12.067 1.00 0.44 C ATOM 647 OD1 ASP A 39 -3.086 6.647 -12.772 1.00 1.27 O ATOM 648 OD2 ASP A 39 -4.401 4.910 -12.519 1.00 1.12 O ATOM 0 H ASP A 39 -3.656 5.695 -7.905 1.00 0.24 H new ATOM 0 HA ASP A 39 -3.648 7.684 -10.101 1.00 0.30 H new ATOM 0 HB2 ASP A 39 -2.100 5.777 -10.531 1.00 0.30 H new ATOM 0 HB3 ASP A 39 -3.408 4.649 -10.240 1.00 0.30 H new ATOM 653 N GLY A 40 -6.125 7.575 -9.717 1.00 0.40 N ATOM 654 CA GLY A 40 -7.574 7.492 -9.725 1.00 0.45 C ATOM 655 C GLY A 40 -8.113 6.795 -8.489 1.00 0.39 C ATOM 656 O GLY A 40 -8.329 7.425 -7.453 1.00 0.43 O ATOM 0 H GLY A 40 -5.751 8.523 -9.668 1.00 0.40 H new ATOM 0 HA2 GLY A 40 -7.994 8.496 -9.786 1.00 0.45 H new ATOM 0 HA3 GLY A 40 -7.901 6.955 -10.615 1.00 0.45 H new ATOM 660 N ASP A 41 -8.297 5.486 -8.600 1.00 0.33 N ATOM 661 CA ASP A 41 -8.811 4.675 -7.506 1.00 0.29 C ATOM 662 C ASP A 41 -7.798 3.599 -7.155 1.00 0.21 C ATOM 663 O ASP A 41 -8.143 2.567 -6.579 1.00 0.25 O ATOM 664 CB ASP A 41 -10.134 3.999 -7.888 1.00 0.35 C ATOM 665 CG ASP A 41 -11.198 4.969 -8.358 1.00 0.98 C ATOM 666 OD1 ASP A 41 -11.821 5.638 -7.513 1.00 1.74 O ATOM 667 OD2 ASP A 41 -11.434 5.047 -9.582 1.00 1.72 O ATOM 0 H ASP A 41 -8.095 4.958 -9.449 1.00 0.33 H new ATOM 0 HA ASP A 41 -8.986 5.331 -6.653 1.00 0.29 H new ATOM 0 HB2 ASP A 41 -9.945 3.270 -8.676 1.00 0.35 H new ATOM 0 HB3 ASP A 41 -10.512 3.447 -7.027 1.00 0.35 H new ATOM 672 N LYS A 42 -6.551 3.828 -7.525 1.00 0.18 N ATOM 673 CA LYS A 42 -5.492 2.868 -7.269 1.00 0.14 C ATOM 674 C LYS A 42 -4.363 3.495 -6.464 1.00 0.12 C ATOM 675 O LYS A 42 -4.129 4.696 -6.537 1.00 0.14 O ATOM 676 CB LYS A 42 -4.947 2.342 -8.597 1.00 0.12 C ATOM 677 CG LYS A 42 -3.572 1.699 -8.496 1.00 0.18 C ATOM 678 CD LYS A 42 -3.142 1.057 -9.808 1.00 0.40 C ATOM 679 CE LYS A 42 -3.260 2.029 -10.971 1.00 0.53 C ATOM 680 NZ LYS A 42 -2.817 1.430 -12.257 1.00 0.41 N ATOM 0 H LYS A 42 -6.246 4.674 -8.006 1.00 0.18 H new ATOM 0 HA LYS A 42 -5.908 2.046 -6.687 1.00 0.14 H new ATOM 0 HB2 LYS A 42 -5.648 1.612 -9.001 1.00 0.12 H new ATOM 0 HB3 LYS A 42 -4.899 3.166 -9.309 1.00 0.12 H new ATOM 0 HG2 LYS A 42 -2.840 2.453 -8.205 1.00 0.18 H new ATOM 0 HG3 LYS A 42 -3.582 0.944 -7.710 1.00 0.18 H new ATOM 0 HD2 LYS A 42 -2.111 0.712 -9.724 1.00 0.40 H new ATOM 0 HD3 LYS A 42 -3.757 0.179 -10.003 1.00 0.40 H new ATOM 0 HE2 LYS A 42 -4.295 2.357 -11.064 1.00 0.53 H new ATOM 0 HE3 LYS A 42 -2.662 2.916 -10.762 1.00 0.53 H new ATOM 0 HZ1 LYS A 42 -2.916 2.131 -13.019 1.00 0.41 H new ATOM 0 HZ2 LYS A 42 -1.821 1.141 -12.180 1.00 0.41 H new ATOM 0 HZ3 LYS A 42 -3.403 0.599 -12.473 1.00 0.41 H new ATOM 694 N ILE A 43 -3.672 2.666 -5.703 1.00 0.10 N ATOM 695 CA ILE A 43 -2.498 3.091 -4.965 1.00 0.09 C ATOM 696 C ILE A 43 -1.303 2.249 -5.396 1.00 0.08 C ATOM 697 O ILE A 43 -1.450 1.071 -5.704 1.00 0.10 O ATOM 698 CB ILE A 43 -2.745 2.973 -3.448 1.00 0.10 C ATOM 699 CG1 ILE A 43 -3.754 4.049 -3.004 1.00 0.10 C ATOM 700 CG2 ILE A 43 -1.448 3.051 -2.651 1.00 0.12 C ATOM 701 CD1 ILE A 43 -3.164 5.176 -2.167 1.00 0.15 C ATOM 0 H ILE A 43 -3.909 1.682 -5.580 1.00 0.10 H new ATOM 0 HA ILE A 43 -2.287 4.138 -5.184 1.00 0.09 H new ATOM 0 HB ILE A 43 -3.169 1.990 -3.242 1.00 0.10 H new ATOM 0 HG12 ILE A 43 -4.217 4.480 -3.892 1.00 0.10 H new ATOM 0 HG13 ILE A 43 -4.547 3.568 -2.432 1.00 0.10 H new ATOM 0 HG21 ILE A 43 -1.669 2.964 -1.587 1.00 0.12 H new ATOM 0 HG22 ILE A 43 -0.786 2.239 -2.952 1.00 0.12 H new ATOM 0 HG23 ILE A 43 -0.960 4.007 -2.843 1.00 0.12 H new ATOM 0 HD11 ILE A 43 -3.950 5.883 -1.903 1.00 0.15 H new ATOM 0 HD12 ILE A 43 -2.727 4.763 -1.258 1.00 0.15 H new ATOM 0 HD13 ILE A 43 -2.392 5.689 -2.740 1.00 0.15 H new ATOM 713 N ILE A 44 -0.140 2.870 -5.455 1.00 0.08 N ATOM 714 CA ILE A 44 1.069 2.222 -5.943 1.00 0.09 C ATOM 715 C ILE A 44 2.157 2.315 -4.887 1.00 0.11 C ATOM 716 O ILE A 44 2.322 3.359 -4.280 1.00 0.19 O ATOM 717 CB ILE A 44 1.572 2.916 -7.226 1.00 0.14 C ATOM 718 CG1 ILE A 44 0.394 3.249 -8.145 1.00 0.19 C ATOM 719 CG2 ILE A 44 2.589 2.039 -7.937 1.00 0.19 C ATOM 720 CD1 ILE A 44 0.786 3.871 -9.463 1.00 0.22 C ATOM 0 H ILE A 44 -0.004 3.839 -5.166 1.00 0.08 H new ATOM 0 HA ILE A 44 0.838 1.179 -6.160 1.00 0.09 H new ATOM 0 HB ILE A 44 2.064 3.850 -6.953 1.00 0.14 H new ATOM 0 HG12 ILE A 44 -0.167 2.335 -8.341 1.00 0.19 H new ATOM 0 HG13 ILE A 44 -0.278 3.930 -7.622 1.00 0.19 H new ATOM 0 HG21 ILE A 44 2.935 2.542 -8.840 1.00 0.19 H new ATOM 0 HG22 ILE A 44 3.437 1.856 -7.277 1.00 0.19 H new ATOM 0 HG23 ILE A 44 2.126 1.089 -8.205 1.00 0.19 H new ATOM 0 HD11 ILE A 44 -0.110 4.074 -10.050 1.00 0.22 H new ATOM 0 HD12 ILE A 44 1.319 4.804 -9.281 1.00 0.22 H new ATOM 0 HD13 ILE A 44 1.432 3.185 -10.011 1.00 0.22 H new ATOM 732 N LEU A 45 2.903 1.251 -4.656 1.00 0.09 N ATOM 733 CA LEU A 45 3.957 1.296 -3.655 1.00 0.10 C ATOM 734 C LEU A 45 5.293 0.902 -4.264 1.00 0.12 C ATOM 735 O LEU A 45 5.387 -0.078 -5.005 1.00 0.16 O ATOM 736 CB LEU A 45 3.636 0.394 -2.458 1.00 0.11 C ATOM 737 CG LEU A 45 2.767 1.018 -1.357 1.00 0.14 C ATOM 738 CD1 LEU A 45 1.360 1.310 -1.843 1.00 0.17 C ATOM 739 CD2 LEU A 45 2.715 0.107 -0.147 1.00 0.23 C ATOM 0 H LEU A 45 2.803 0.358 -5.138 1.00 0.09 H new ATOM 0 HA LEU A 45 4.022 2.323 -3.295 1.00 0.10 H new ATOM 0 HB2 LEU A 45 3.133 -0.500 -2.827 1.00 0.11 H new ATOM 0 HB3 LEU A 45 4.576 0.069 -2.011 1.00 0.11 H new ATOM 0 HG LEU A 45 3.227 1.966 -1.079 1.00 0.14 H new ATOM 0 HD11 LEU A 45 0.779 1.751 -1.033 1.00 0.17 H new ATOM 0 HD12 LEU A 45 1.402 2.007 -2.680 1.00 0.17 H new ATOM 0 HD13 LEU A 45 0.887 0.383 -2.166 1.00 0.17 H new ATOM 0 HD21 LEU A 45 2.095 0.563 0.625 1.00 0.23 H new ATOM 0 HD22 LEU A 45 2.289 -0.855 -0.434 1.00 0.23 H new ATOM 0 HD23 LEU A 45 3.723 -0.043 0.239 1.00 0.23 H new ATOM 751 N LYS A 46 6.313 1.687 -3.959 1.00 0.15 N ATOM 752 CA LYS A 46 7.665 1.438 -4.435 1.00 0.24 C ATOM 753 C LYS A 46 8.657 1.751 -3.329 1.00 0.25 C ATOM 754 O LYS A 46 8.534 2.777 -2.667 1.00 0.41 O ATOM 755 CB LYS A 46 7.981 2.319 -5.654 1.00 0.45 C ATOM 756 CG LYS A 46 9.427 2.208 -6.130 1.00 0.81 C ATOM 757 CD LYS A 46 9.786 3.283 -7.152 1.00 1.10 C ATOM 758 CE LYS A 46 9.745 4.691 -6.557 1.00 1.19 C ATOM 759 NZ LYS A 46 10.760 4.896 -5.485 1.00 1.52 N ATOM 0 H LYS A 46 6.227 2.517 -3.373 1.00 0.15 H new ATOM 0 HA LYS A 46 7.743 0.390 -4.724 1.00 0.24 H new ATOM 0 HB2 LYS A 46 7.316 2.044 -6.473 1.00 0.45 H new ATOM 0 HB3 LYS A 46 7.768 3.359 -5.405 1.00 0.45 H new ATOM 0 HG2 LYS A 46 10.096 2.287 -5.273 1.00 0.81 H new ATOM 0 HG3 LYS A 46 9.587 1.224 -6.570 1.00 0.81 H new ATOM 0 HD2 LYS A 46 10.783 3.087 -7.546 1.00 1.10 H new ATOM 0 HD3 LYS A 46 9.094 3.227 -7.993 1.00 1.10 H new ATOM 0 HE2 LYS A 46 9.909 5.420 -7.350 1.00 1.19 H new ATOM 0 HE3 LYS A 46 8.751 4.880 -6.151 1.00 1.19 H new ATOM 0 HZ1 LYS A 46 10.419 5.616 -4.817 1.00 1.52 H new ATOM 0 HZ2 LYS A 46 10.916 4.001 -4.979 1.00 1.52 H new ATOM 0 HZ3 LYS A 46 11.654 5.214 -5.910 1.00 1.52 H new ATOM 773 N LYS A 47 9.624 0.871 -3.120 1.00 0.23 N ATOM 774 CA LYS A 47 10.703 1.145 -2.178 1.00 0.25 C ATOM 775 C LYS A 47 11.463 2.382 -2.657 1.00 0.27 C ATOM 776 O LYS A 47 11.528 2.647 -3.858 1.00 0.39 O ATOM 777 CB LYS A 47 11.628 -0.074 -2.073 1.00 0.33 C ATOM 778 CG LYS A 47 12.380 -0.190 -0.751 1.00 0.40 C ATOM 779 CD LYS A 47 13.588 0.730 -0.677 1.00 0.44 C ATOM 780 CE LYS A 47 14.486 0.401 0.505 1.00 0.77 C ATOM 781 NZ LYS A 47 14.947 -1.013 0.473 1.00 0.53 N ATOM 0 H LYS A 47 9.686 -0.034 -3.586 1.00 0.23 H new ATOM 0 HA LYS A 47 10.301 1.339 -1.184 1.00 0.25 H new ATOM 0 HB2 LYS A 47 11.035 -0.977 -2.219 1.00 0.33 H new ATOM 0 HB3 LYS A 47 12.353 -0.034 -2.886 1.00 0.33 H new ATOM 0 HG2 LYS A 47 11.701 0.043 0.069 1.00 0.40 H new ATOM 0 HG3 LYS A 47 12.705 -1.221 -0.613 1.00 0.40 H new ATOM 0 HD2 LYS A 47 14.161 0.650 -1.601 1.00 0.44 H new ATOM 0 HD3 LYS A 47 13.252 1.764 -0.599 1.00 0.44 H new ATOM 0 HE2 LYS A 47 15.350 1.065 0.500 1.00 0.77 H new ATOM 0 HE3 LYS A 47 13.946 0.586 1.434 1.00 0.77 H new ATOM 0 HZ1 LYS A 47 15.636 -1.171 1.236 1.00 0.53 H new ATOM 0 HZ2 LYS A 47 14.133 -1.647 0.605 1.00 0.53 H new ATOM 0 HZ3 LYS A 47 15.395 -1.211 -0.444 1.00 0.53 H new ATOM 795 N TYR A 48 12.020 3.147 -1.731 1.00 0.23 N ATOM 796 CA TYR A 48 12.652 4.416 -2.071 1.00 0.29 C ATOM 797 C TYR A 48 13.854 4.208 -2.988 1.00 0.38 C ATOM 798 O TYR A 48 13.954 4.818 -4.050 1.00 0.41 O ATOM 799 CB TYR A 48 13.096 5.137 -0.800 1.00 0.36 C ATOM 800 CG TYR A 48 13.809 6.447 -1.059 1.00 0.53 C ATOM 801 CD1 TYR A 48 13.113 7.572 -1.488 1.00 1.37 C ATOM 802 CD2 TYR A 48 15.184 6.554 -0.875 1.00 1.15 C ATOM 803 CE1 TYR A 48 13.768 8.763 -1.731 1.00 1.49 C ATOM 804 CE2 TYR A 48 15.843 7.744 -1.114 1.00 1.26 C ATOM 805 CZ TYR A 48 15.131 8.843 -1.540 1.00 0.93 C ATOM 806 OH TYR A 48 15.790 10.026 -1.786 1.00 1.14 O ATOM 0 H TYR A 48 12.048 2.913 -0.739 1.00 0.23 H new ATOM 0 HA TYR A 48 11.918 5.024 -2.600 1.00 0.29 H new ATOM 0 HB2 TYR A 48 12.222 5.327 -0.177 1.00 0.36 H new ATOM 0 HB3 TYR A 48 13.756 4.481 -0.233 1.00 0.36 H new ATOM 0 HD1 TYR A 48 12.044 7.513 -1.633 1.00 1.37 H new ATOM 0 HD2 TYR A 48 15.744 5.694 -0.540 1.00 1.15 H new ATOM 0 HE1 TYR A 48 13.216 9.627 -2.069 1.00 1.49 H new ATOM 0 HE2 TYR A 48 16.911 7.812 -0.968 1.00 1.26 H new ATOM 0 HH TYR A 48 16.746 9.913 -1.601 1.00 1.14 H new ATOM 816 N LYS A 49 14.760 3.351 -2.550 1.00 0.45 N ATOM 817 CA LYS A 49 16.000 3.091 -3.272 1.00 0.63 C ATOM 818 C LYS A 49 15.766 2.528 -4.692 1.00 0.71 C ATOM 819 O LYS A 49 16.144 3.177 -5.667 1.00 0.82 O ATOM 820 CB LYS A 49 16.884 2.152 -2.451 1.00 0.70 C ATOM 821 CG LYS A 49 18.292 2.006 -2.998 1.00 0.99 C ATOM 822 CD LYS A 49 19.129 1.077 -2.139 1.00 1.63 C ATOM 823 CE LYS A 49 20.527 0.908 -2.706 1.00 2.21 C ATOM 824 NZ LYS A 49 21.358 0.001 -1.874 1.00 3.15 N ATOM 0 H LYS A 49 14.660 2.816 -1.687 1.00 0.45 H new ATOM 0 HA LYS A 49 16.506 4.047 -3.407 1.00 0.63 H new ATOM 0 HB2 LYS A 49 16.938 2.521 -1.427 1.00 0.70 H new ATOM 0 HB3 LYS A 49 16.415 1.169 -2.411 1.00 0.70 H new ATOM 0 HG2 LYS A 49 18.249 1.621 -4.017 1.00 0.99 H new ATOM 0 HG3 LYS A 49 18.768 2.985 -3.047 1.00 0.99 H new ATOM 0 HD2 LYS A 49 19.191 1.473 -1.126 1.00 1.63 H new ATOM 0 HD3 LYS A 49 18.642 0.104 -2.071 1.00 1.63 H new ATOM 0 HE2 LYS A 49 20.462 0.512 -3.720 1.00 2.21 H new ATOM 0 HE3 LYS A 49 21.011 1.882 -2.775 1.00 2.21 H new ATOM 0 HZ1 LYS A 49 22.304 -0.087 -2.296 1.00 3.15 H new ATOM 0 HZ2 LYS A 49 21.442 0.391 -0.913 1.00 3.15 H new ATOM 0 HZ3 LYS A 49 20.910 -0.937 -1.829 1.00 3.15 H new ATOM 838 N PRO A 50 15.149 1.326 -4.844 1.00 0.73 N ATOM 839 CA PRO A 50 14.944 0.703 -6.163 1.00 0.90 C ATOM 840 C PRO A 50 14.153 1.592 -7.117 1.00 1.00 C ATOM 841 O PRO A 50 13.196 2.256 -6.709 1.00 1.56 O ATOM 842 CB PRO A 50 14.153 -0.571 -5.851 1.00 0.99 C ATOM 843 CG PRO A 50 14.459 -0.862 -4.428 1.00 0.85 C ATOM 844 CD PRO A 50 14.605 0.478 -3.771 1.00 0.65 C ATOM 0 HA PRO A 50 15.894 0.518 -6.665 1.00 0.90 H new ATOM 0 HB2 PRO A 50 13.084 -0.422 -6.004 1.00 0.99 H new ATOM 0 HB3 PRO A 50 14.456 -1.394 -6.498 1.00 0.99 H new ATOM 0 HG2 PRO A 50 13.661 -1.442 -3.965 1.00 0.85 H new ATOM 0 HG3 PRO A 50 15.374 -1.447 -4.334 1.00 0.85 H new ATOM 0 HD2 PRO A 50 13.649 0.854 -3.408 1.00 0.65 H new ATOM 0 HD3 PRO A 50 15.277 0.434 -2.914 1.00 0.65 H new ATOM 852 N HIS A 51 14.575 1.596 -8.380 1.00 1.42 N ATOM 853 CA HIS A 51 13.978 2.424 -9.434 1.00 1.56 C ATOM 854 C HIS A 51 14.347 3.897 -9.274 1.00 1.82 C ATOM 855 O HIS A 51 14.462 4.624 -10.262 1.00 2.35 O ATOM 856 CB HIS A 51 12.456 2.242 -9.510 1.00 2.08 C ATOM 857 CG HIS A 51 12.040 0.907 -10.052 1.00 3.08 C ATOM 858 ND1 HIS A 51 11.957 0.638 -11.402 1.00 3.93 N ATOM 859 CD2 HIS A 51 11.685 -0.239 -9.422 1.00 3.73 C ATOM 860 CE1 HIS A 51 11.574 -0.612 -11.579 1.00 4.77 C ATOM 861 NE2 HIS A 51 11.401 -1.166 -10.396 1.00 4.67 N ATOM 0 H HIS A 51 15.350 1.019 -8.707 1.00 1.42 H new ATOM 0 HA HIS A 51 14.397 2.080 -10.379 1.00 1.56 H new ATOM 0 HB2 HIS A 51 12.033 2.369 -8.514 1.00 2.08 H new ATOM 0 HB3 HIS A 51 12.035 3.027 -10.138 1.00 2.08 H new ATOM 0 HD2 HIS A 51 11.635 -0.395 -8.354 1.00 3.73 H new ATOM 0 HE1 HIS A 51 11.427 -1.099 -12.532 1.00 4.77 H new ATOM 0 HE2 HIS A 51 11.104 -2.128 -10.230 1.00 4.67 H new ATOM 870 N GLY A 52 14.543 4.335 -8.039 1.00 2.13 N ATOM 871 CA GLY A 52 15.008 5.682 -7.802 1.00 2.84 C ATOM 872 C GLY A 52 13.978 6.553 -7.120 1.00 2.91 C ATOM 873 O GLY A 52 13.066 6.052 -6.456 1.00 3.15 O ATOM 0 H GLY A 52 14.388 3.780 -7.198 1.00 2.13 H new ATOM 0 HA2 GLY A 52 15.909 5.647 -7.189 1.00 2.84 H new ATOM 0 HA3 GLY A 52 15.287 6.136 -8.753 1.00 2.84 H new ATOM 877 N VAL A 53 14.123 7.858 -7.303 1.00 3.09 N ATOM 878 CA VAL A 53 13.265 8.842 -6.660 1.00 3.28 C ATOM 879 C VAL A 53 11.866 8.826 -7.269 1.00 2.62 C ATOM 880 O VAL A 53 11.643 8.209 -8.314 1.00 2.42 O ATOM 881 CB VAL A 53 13.891 10.257 -6.779 1.00 4.14 C ATOM 882 CG1 VAL A 53 13.784 10.794 -8.200 1.00 4.29 C ATOM 883 CG2 VAL A 53 13.276 11.229 -5.781 1.00 4.59 C ATOM 0 H VAL A 53 14.841 8.265 -7.903 1.00 3.09 H new ATOM 0 HA VAL A 53 13.177 8.583 -5.605 1.00 3.28 H new ATOM 0 HB VAL A 53 14.949 10.162 -6.536 1.00 4.14 H new ATOM 0 HG11 VAL A 53 14.232 11.787 -8.249 1.00 4.29 H new ATOM 0 HG12 VAL A 53 14.309 10.125 -8.882 1.00 4.29 H new ATOM 0 HG13 VAL A 53 12.734 10.855 -8.488 1.00 4.29 H new ATOM 0 HG21 VAL A 53 13.740 12.209 -5.894 1.00 4.59 H new ATOM 0 HG22 VAL A 53 12.205 11.311 -5.966 1.00 4.59 H new ATOM 0 HG23 VAL A 53 13.443 10.864 -4.768 1.00 4.59 H new ATOM 893 N CYS A 54 10.946 9.489 -6.574 1.00 2.51 N ATOM 894 CA CYS A 54 9.552 9.647 -6.989 1.00 1.97 C ATOM 895 C CYS A 54 9.401 9.727 -8.510 1.00 1.82 C ATOM 896 O CYS A 54 9.908 10.701 -9.111 1.00 2.05 O ATOM 897 CB CYS A 54 8.992 10.924 -6.364 1.00 2.32 C ATOM 898 SG CYS A 54 9.263 11.063 -4.584 1.00 3.01 S ATOM 899 OXT CYS A 54 8.756 8.832 -9.095 1.00 2.32 O ATOM 0 H CYS A 54 11.153 9.943 -5.684 1.00 2.51 H new ATOM 0 HA CYS A 54 9.003 8.769 -6.650 1.00 1.97 H new ATOM 0 HB2 CYS A 54 9.445 11.784 -6.857 1.00 2.32 H new ATOM 0 HB3 CYS A 54 7.921 10.971 -6.561 1.00 2.32 H new ATOM 0 HG CYS A 54 9.552 9.893 -4.096 1.00 3.01 H new TER 905 CYS A 54 ATOM 906 N MET B 1 7.795 12.410 -10.683 1.00 2.50 N ATOM 907 CA MET B 1 7.534 12.458 -9.229 1.00 2.21 C ATOM 908 C MET B 1 6.383 11.535 -8.878 1.00 1.71 C ATOM 909 O MET B 1 5.804 10.892 -9.754 1.00 2.31 O ATOM 910 CB MET B 1 7.211 13.886 -8.776 1.00 2.56 C ATOM 911 CG MET B 1 8.418 14.810 -8.761 1.00 3.07 C ATOM 912 SD MET B 1 8.024 16.457 -8.141 1.00 3.74 S ATOM 913 CE MET B 1 9.648 17.208 -8.137 1.00 4.38 C ATOM 0 H1 MET B 1 8.774 12.101 -10.850 1.00 2.50 H new ATOM 0 H2 MET B 1 7.139 11.740 -11.132 1.00 2.50 H new ATOM 0 H3 MET B 1 7.657 13.356 -11.092 1.00 2.50 H new ATOM 0 HA MET B 1 8.434 12.128 -8.711 1.00 2.21 H new ATOM 0 HB2 MET B 1 6.452 14.305 -9.437 1.00 2.56 H new ATOM 0 HB3 MET B 1 6.778 13.851 -7.776 1.00 2.56 H new ATOM 0 HG2 MET B 1 9.200 14.370 -8.142 1.00 3.07 H new ATOM 0 HG3 MET B 1 8.820 14.893 -9.771 1.00 3.07 H new ATOM 0 HE1 MET B 1 9.573 18.234 -7.777 1.00 4.38 H new ATOM 0 HE2 MET B 1 10.309 16.641 -7.482 1.00 4.38 H new ATOM 0 HE3 MET B 1 10.052 17.207 -9.149 1.00 4.38 H new ATOM 925 N LYS B 2 6.052 11.463 -7.598 1.00 1.10 N ATOM 926 CA LYS B 2 4.944 10.641 -7.158 1.00 0.64 C ATOM 927 C LYS B 2 3.719 11.500 -6.929 1.00 0.56 C ATOM 928 O LYS B 2 3.801 12.727 -6.904 1.00 1.00 O ATOM 929 CB LYS B 2 5.285 9.879 -5.871 1.00 0.80 C ATOM 930 CG LYS B 2 6.353 8.810 -6.047 1.00 0.68 C ATOM 931 CD LYS B 2 5.829 7.599 -6.804 1.00 0.88 C ATOM 932 CE LYS B 2 5.435 6.476 -5.863 1.00 1.04 C ATOM 933 NZ LYS B 2 6.601 5.630 -5.504 1.00 1.73 N ATOM 0 H LYS B 2 6.535 11.963 -6.851 1.00 1.10 H new ATOM 0 HA LYS B 2 4.741 9.912 -7.942 1.00 0.64 H new ATOM 0 HB2 LYS B 2 5.620 10.592 -5.117 1.00 0.80 H new ATOM 0 HB3 LYS B 2 4.378 9.412 -5.487 1.00 0.80 H new ATOM 0 HG2 LYS B 2 7.203 9.232 -6.583 1.00 0.68 H new ATOM 0 HG3 LYS B 2 6.716 8.496 -5.068 1.00 0.68 H new ATOM 0 HD2 LYS B 2 4.967 7.890 -7.404 1.00 0.88 H new ATOM 0 HD3 LYS B 2 6.593 7.243 -7.495 1.00 0.88 H new ATOM 0 HE2 LYS B 2 4.997 6.896 -4.958 1.00 1.04 H new ATOM 0 HE3 LYS B 2 4.668 5.860 -6.332 1.00 1.04 H new ATOM 0 HZ1 LYS B 2 6.434 5.184 -4.580 1.00 1.73 H new ATOM 0 HZ2 LYS B 2 6.731 4.893 -6.226 1.00 1.73 H new ATOM 0 HZ3 LYS B 2 7.456 6.220 -5.454 1.00 1.73 H new ATOM 947 N SER B 3 2.590 10.845 -6.759 1.00 0.56 N ATOM 948 CA SER B 3 1.340 11.531 -6.493 1.00 0.42 C ATOM 949 C SER B 3 1.347 12.117 -5.093 1.00 0.34 C ATOM 950 O SER B 3 1.068 13.296 -4.888 1.00 0.45 O ATOM 951 CB SER B 3 0.186 10.547 -6.628 1.00 0.50 C ATOM 952 OG SER B 3 0.125 10.019 -7.930 1.00 0.75 O ATOM 0 H SER B 3 2.511 9.829 -6.801 1.00 0.56 H new ATOM 0 HA SER B 3 1.220 12.341 -7.212 1.00 0.42 H new ATOM 0 HB2 SER B 3 0.307 9.737 -5.908 1.00 0.50 H new ATOM 0 HB3 SER B 3 -0.753 11.047 -6.390 1.00 0.50 H new ATOM 0 HG SER B 3 0.688 9.219 -7.985 1.00 0.75 H new ATOM 958 N ILE B 4 1.684 11.270 -4.139 1.00 0.30 N ATOM 959 CA ILE B 4 1.660 11.641 -2.740 1.00 0.28 C ATOM 960 C ILE B 4 3.042 12.111 -2.304 1.00 0.31 C ATOM 961 O ILE B 4 3.181 13.009 -1.474 1.00 0.37 O ATOM 962 CB ILE B 4 1.226 10.441 -1.878 1.00 0.25 C ATOM 963 CG1 ILE B 4 0.165 9.616 -2.619 1.00 0.26 C ATOM 964 CG2 ILE B 4 0.682 10.928 -0.543 1.00 0.28 C ATOM 965 CD1 ILE B 4 -0.054 8.238 -2.035 1.00 0.28 C ATOM 0 H ILE B 4 1.981 10.310 -4.312 1.00 0.30 H new ATOM 0 HA ILE B 4 0.944 12.452 -2.606 1.00 0.28 H new ATOM 0 HB ILE B 4 2.092 9.806 -1.691 1.00 0.25 H new ATOM 0 HG12 ILE B 4 -0.779 10.160 -2.606 1.00 0.26 H new ATOM 0 HG13 ILE B 4 0.461 9.515 -3.663 1.00 0.26 H new ATOM 0 HG21 ILE B 4 0.378 10.072 0.060 1.00 0.28 H new ATOM 0 HG22 ILE B 4 1.456 11.486 -0.016 1.00 0.28 H new ATOM 0 HG23 ILE B 4 -0.178 11.575 -0.715 1.00 0.28 H new ATOM 0 HD11 ILE B 4 -0.817 7.716 -2.612 1.00 0.28 H new ATOM 0 HD12 ILE B 4 0.878 7.674 -2.073 1.00 0.28 H new ATOM 0 HD13 ILE B 4 -0.381 8.330 -0.999 1.00 0.28 H new ATOM 977 N GLY B 5 4.060 11.491 -2.894 1.00 0.33 N ATOM 978 CA GLY B 5 5.436 11.837 -2.589 1.00 0.38 C ATOM 979 C GLY B 5 5.792 11.561 -1.145 1.00 0.34 C ATOM 980 O GLY B 5 6.529 12.323 -0.521 1.00 0.46 O ATOM 0 H GLY B 5 3.954 10.748 -3.585 1.00 0.33 H new ATOM 0 HA2 GLY B 5 6.103 11.271 -3.240 1.00 0.38 H new ATOM 0 HA3 GLY B 5 5.599 12.893 -2.805 1.00 0.38 H new ATOM 984 N VAL B 6 5.254 10.477 -0.611 1.00 0.24 N ATOM 985 CA VAL B 6 5.530 10.085 0.758 1.00 0.22 C ATOM 986 C VAL B 6 6.136 8.694 0.799 1.00 0.21 C ATOM 987 O VAL B 6 5.798 7.836 -0.019 1.00 0.25 O ATOM 988 CB VAL B 6 4.262 10.099 1.641 1.00 0.22 C ATOM 989 CG1 VAL B 6 3.738 11.513 1.828 1.00 0.26 C ATOM 990 CG2 VAL B 6 3.183 9.213 1.046 1.00 0.20 C ATOM 0 H VAL B 6 4.621 9.851 -1.109 1.00 0.24 H new ATOM 0 HA VAL B 6 6.233 10.817 1.155 1.00 0.22 H new ATOM 0 HB VAL B 6 4.536 9.706 2.620 1.00 0.22 H new ATOM 0 HG11 VAL B 6 2.846 11.491 2.453 1.00 0.26 H new ATOM 0 HG12 VAL B 6 4.502 12.124 2.308 1.00 0.26 H new ATOM 0 HG13 VAL B 6 3.490 11.940 0.857 1.00 0.26 H new ATOM 0 HG21 VAL B 6 2.299 9.238 1.684 1.00 0.20 H new ATOM 0 HG22 VAL B 6 2.923 9.575 0.051 1.00 0.20 H new ATOM 0 HG23 VAL B 6 3.551 8.189 0.975 1.00 0.20 H new ATOM 1000 N VAL B 7 7.011 8.480 1.762 1.00 0.18 N ATOM 1001 CA VAL B 7 7.619 7.180 1.971 1.00 0.16 C ATOM 1002 C VAL B 7 7.432 6.773 3.429 1.00 0.18 C ATOM 1003 O VAL B 7 7.500 7.608 4.332 1.00 0.23 O ATOM 1004 CB VAL B 7 9.123 7.158 1.579 1.00 0.17 C ATOM 1005 CG1 VAL B 7 9.955 8.042 2.496 1.00 0.20 C ATOM 1006 CG2 VAL B 7 9.656 5.730 1.570 1.00 0.19 C ATOM 0 H VAL B 7 7.319 9.197 2.418 1.00 0.18 H new ATOM 0 HA VAL B 7 7.122 6.462 1.318 1.00 0.16 H new ATOM 0 HB VAL B 7 9.207 7.564 0.571 1.00 0.17 H new ATOM 0 HG11 VAL B 7 11.001 8.001 2.191 1.00 0.20 H new ATOM 0 HG12 VAL B 7 9.599 9.070 2.432 1.00 0.20 H new ATOM 0 HG13 VAL B 7 9.863 7.689 3.523 1.00 0.20 H new ATOM 0 HG21 VAL B 7 10.710 5.737 1.293 1.00 0.19 H new ATOM 0 HG22 VAL B 7 9.544 5.294 2.563 1.00 0.19 H new ATOM 0 HG23 VAL B 7 9.095 5.137 0.848 1.00 0.19 H new ATOM 1016 N ARG B 8 7.160 5.503 3.653 1.00 0.15 N ATOM 1017 CA ARG B 8 6.875 5.008 4.979 1.00 0.16 C ATOM 1018 C ARG B 8 7.915 3.999 5.389 1.00 0.16 C ATOM 1019 O ARG B 8 8.498 3.318 4.550 1.00 0.16 O ATOM 1020 CB ARG B 8 5.485 4.370 5.038 1.00 0.16 C ATOM 1021 CG ARG B 8 4.449 5.241 5.724 1.00 0.18 C ATOM 1022 CD ARG B 8 4.444 6.666 5.184 1.00 0.23 C ATOM 1023 NE ARG B 8 4.087 7.639 6.219 1.00 0.50 N ATOM 1024 CZ ARG B 8 3.276 8.683 6.028 1.00 0.51 C ATOM 1025 NH1 ARG B 8 2.690 8.869 4.850 1.00 0.80 N ATOM 1026 NH2 ARG B 8 3.038 9.528 7.027 1.00 0.82 N ATOM 0 H ARG B 8 7.131 4.791 2.923 1.00 0.15 H new ATOM 0 HA ARG B 8 6.898 5.852 5.668 1.00 0.16 H new ATOM 0 HB2 ARG B 8 5.151 4.152 4.024 1.00 0.16 H new ATOM 0 HB3 ARG B 8 5.553 3.417 5.563 1.00 0.16 H new ATOM 0 HG2 ARG B 8 3.461 4.801 5.590 1.00 0.18 H new ATOM 0 HG3 ARG B 8 4.647 5.261 6.796 1.00 0.18 H new ATOM 0 HD2 ARG B 8 5.429 6.906 4.784 1.00 0.23 H new ATOM 0 HD3 ARG B 8 3.737 6.739 4.357 1.00 0.23 H new ATOM 0 HE ARG B 8 4.485 7.511 7.149 1.00 0.50 H new ATOM 0 HH11 ARG B 8 2.859 8.213 4.087 1.00 0.80 H new ATOM 0 HH12 ARG B 8 2.071 9.668 4.709 1.00 0.80 H new ATOM 0 HH21 ARG B 8 3.474 9.378 7.937 1.00 0.82 H new ATOM 0 HH22 ARG B 8 2.419 10.326 6.884 1.00 0.82 H new ATOM 1040 N LYS B 9 8.172 3.934 6.672 1.00 0.18 N ATOM 1041 CA LYS B 9 9.052 2.925 7.205 1.00 0.19 C ATOM 1042 C LYS B 9 8.221 1.889 7.938 1.00 0.19 C ATOM 1043 O LYS B 9 7.441 2.231 8.828 1.00 0.23 O ATOM 1044 CB LYS B 9 10.084 3.562 8.135 1.00 0.22 C ATOM 1045 CG LYS B 9 10.771 4.787 7.537 1.00 0.25 C ATOM 1046 CD LYS B 9 11.468 4.472 6.218 1.00 0.25 C ATOM 1047 CE LYS B 9 12.666 3.564 6.416 1.00 0.68 C ATOM 1048 NZ LYS B 9 13.821 4.277 7.018 1.00 0.91 N ATOM 0 H LYS B 9 7.783 4.570 7.368 1.00 0.18 H new ATOM 0 HA LYS B 9 9.594 2.438 6.395 1.00 0.19 H new ATOM 0 HB2 LYS B 9 9.594 3.848 9.066 1.00 0.22 H new ATOM 0 HB3 LYS B 9 10.840 2.819 8.388 1.00 0.22 H new ATOM 0 HG2 LYS B 9 10.033 5.573 7.377 1.00 0.25 H new ATOM 0 HG3 LYS B 9 11.501 5.175 8.248 1.00 0.25 H new ATOM 0 HD2 LYS B 9 10.761 3.997 5.538 1.00 0.25 H new ATOM 0 HD3 LYS B 9 11.790 5.400 5.746 1.00 0.25 H new ATOM 0 HE2 LYS B 9 12.384 2.729 7.057 1.00 0.68 H new ATOM 0 HE3 LYS B 9 12.963 3.143 5.455 1.00 0.68 H new ATOM 0 HZ1 LYS B 9 14.631 3.629 7.087 1.00 0.91 H new ATOM 0 HZ2 LYS B 9 14.077 5.089 6.421 1.00 0.91 H new ATOM 0 HZ3 LYS B 9 13.565 4.613 7.968 1.00 0.91 H new ATOM 1062 N VAL B 10 8.369 0.634 7.531 1.00 0.18 N ATOM 1063 CA VAL B 10 7.594 -0.463 8.094 1.00 0.19 C ATOM 1064 C VAL B 10 7.714 -0.511 9.614 1.00 0.20 C ATOM 1065 O VAL B 10 8.774 -0.232 10.176 1.00 0.23 O ATOM 1066 CB VAL B 10 8.034 -1.826 7.497 1.00 0.21 C ATOM 1067 CG1 VAL B 10 7.411 -2.983 8.250 1.00 0.27 C ATOM 1068 CG2 VAL B 10 7.667 -1.912 6.029 1.00 0.25 C ATOM 0 H VAL B 10 9.027 0.350 6.805 1.00 0.18 H new ATOM 0 HA VAL B 10 6.552 -0.281 7.832 1.00 0.19 H new ATOM 0 HB VAL B 10 9.117 -1.893 7.597 1.00 0.21 H new ATOM 0 HG11 VAL B 10 7.739 -3.924 7.808 1.00 0.27 H new ATOM 0 HG12 VAL B 10 7.720 -2.946 9.295 1.00 0.27 H new ATOM 0 HG13 VAL B 10 6.325 -2.913 8.191 1.00 0.27 H new ATOM 0 HG21 VAL B 10 7.985 -2.876 5.630 1.00 0.25 H new ATOM 0 HG22 VAL B 10 6.587 -1.811 5.917 1.00 0.25 H new ATOM 0 HG23 VAL B 10 8.165 -1.111 5.482 1.00 0.25 H new ATOM 1078 N ASP B 11 6.596 -0.811 10.266 1.00 0.20 N ATOM 1079 CA ASP B 11 6.573 -1.062 11.700 1.00 0.21 C ATOM 1080 C ASP B 11 7.590 -2.146 12.060 1.00 0.22 C ATOM 1081 O ASP B 11 8.667 -1.853 12.573 1.00 0.25 O ATOM 1082 CB ASP B 11 5.153 -1.477 12.111 1.00 0.26 C ATOM 1083 CG ASP B 11 5.062 -2.031 13.518 1.00 1.13 C ATOM 1084 OD1 ASP B 11 5.072 -1.240 14.480 1.00 1.86 O ATOM 1085 OD2 ASP B 11 4.945 -3.266 13.660 1.00 1.95 O ATOM 0 H ASP B 11 5.684 -0.887 9.816 1.00 0.20 H new ATOM 0 HA ASP B 11 6.847 -0.156 12.241 1.00 0.21 H new ATOM 0 HB2 ASP B 11 4.493 -0.613 12.027 1.00 0.26 H new ATOM 0 HB3 ASP B 11 4.787 -2.227 11.410 1.00 0.26 H new ATOM 1090 N GLU B 12 7.230 -3.387 11.765 1.00 0.25 N ATOM 1091 CA GLU B 12 8.116 -4.543 11.899 1.00 0.28 C ATOM 1092 C GLU B 12 7.602 -5.635 10.984 1.00 0.28 C ATOM 1093 O GLU B 12 8.331 -6.220 10.185 1.00 0.32 O ATOM 1094 CB GLU B 12 8.112 -5.105 13.325 1.00 0.31 C ATOM 1095 CG GLU B 12 8.690 -4.193 14.385 1.00 0.35 C ATOM 1096 CD GLU B 12 8.677 -4.853 15.746 1.00 0.38 C ATOM 1097 OE1 GLU B 12 9.546 -5.713 15.995 1.00 1.11 O ATOM 1098 OE2 GLU B 12 7.784 -4.543 16.563 1.00 1.20 O ATOM 0 H GLU B 12 6.300 -3.627 11.420 1.00 0.25 H new ATOM 0 HA GLU B 12 9.128 -4.225 11.648 1.00 0.28 H new ATOM 0 HB2 GLU B 12 7.085 -5.347 13.599 1.00 0.31 H new ATOM 0 HB3 GLU B 12 8.672 -6.040 13.330 1.00 0.31 H new ATOM 0 HG2 GLU B 12 9.712 -3.925 14.119 1.00 0.35 H new ATOM 0 HG3 GLU B 12 8.117 -3.267 14.422 1.00 0.35 H new ATOM 1105 N LEU B 13 6.310 -5.874 11.131 1.00 0.26 N ATOM 1106 CA LEU B 13 5.602 -6.938 10.439 1.00 0.25 C ATOM 1107 C LEU B 13 5.383 -6.589 8.973 1.00 0.21 C ATOM 1108 O LEU B 13 5.301 -7.461 8.111 1.00 0.24 O ATOM 1109 CB LEU B 13 4.247 -7.114 11.112 1.00 0.27 C ATOM 1110 CG LEU B 13 4.274 -7.083 12.639 1.00 0.32 C ATOM 1111 CD1 LEU B 13 2.892 -6.767 13.173 1.00 0.64 C ATOM 1112 CD2 LEU B 13 4.776 -8.406 13.193 1.00 0.62 C ATOM 0 H LEU B 13 5.712 -5.323 11.747 1.00 0.26 H new ATOM 0 HA LEU B 13 6.193 -7.853 10.487 1.00 0.25 H new ATOM 0 HB2 LEU B 13 3.579 -6.328 10.760 1.00 0.27 H new ATOM 0 HB3 LEU B 13 3.820 -8.064 10.791 1.00 0.27 H new ATOM 0 HG LEU B 13 4.961 -6.301 12.963 1.00 0.32 H new ATOM 0 HD11 LEU B 13 2.919 -6.747 14.262 1.00 0.64 H new ATOM 0 HD12 LEU B 13 2.571 -5.794 12.800 1.00 0.64 H new ATOM 0 HD13 LEU B 13 2.190 -7.532 12.842 1.00 0.64 H new ATOM 0 HD21 LEU B 13 4.788 -8.363 14.282 1.00 0.62 H new ATOM 0 HD22 LEU B 13 4.116 -9.210 12.868 1.00 0.62 H new ATOM 0 HD23 LEU B 13 5.785 -8.595 12.826 1.00 0.62 H new ATOM 1124 N GLY B 14 5.296 -5.299 8.709 1.00 0.17 N ATOM 1125 CA GLY B 14 4.946 -4.824 7.386 1.00 0.14 C ATOM 1126 C GLY B 14 3.876 -3.754 7.463 1.00 0.10 C ATOM 1127 O GLY B 14 3.462 -3.192 6.455 1.00 0.09 O ATOM 0 H GLY B 14 5.463 -4.562 9.394 1.00 0.17 H new ATOM 0 HA2 GLY B 14 5.832 -4.424 6.892 1.00 0.14 H new ATOM 0 HA3 GLY B 14 4.591 -5.656 6.778 1.00 0.14 H new ATOM 1131 N ARG B 15 3.442 -3.465 8.682 1.00 0.10 N ATOM 1132 CA ARG B 15 2.418 -2.459 8.918 1.00 0.10 C ATOM 1133 C ARG B 15 2.966 -1.064 8.619 1.00 0.09 C ATOM 1134 O ARG B 15 4.015 -0.687 9.146 1.00 0.12 O ATOM 1135 CB ARG B 15 1.961 -2.491 10.385 1.00 0.17 C ATOM 1136 CG ARG B 15 1.430 -3.830 10.880 1.00 0.23 C ATOM 1137 CD ARG B 15 1.038 -3.737 12.344 1.00 0.42 C ATOM 1138 NE ARG B 15 0.321 -4.914 12.826 1.00 1.48 N ATOM 1139 CZ ARG B 15 -0.014 -5.097 14.106 1.00 1.80 C ATOM 1140 NH1 ARG B 15 0.331 -4.197 15.019 1.00 1.45 N ATOM 1141 NH2 ARG B 15 -0.679 -6.183 14.480 1.00 2.89 N ATOM 0 H ARG B 15 3.787 -3.918 9.528 1.00 0.10 H new ATOM 0 HA ARG B 15 1.576 -2.680 8.262 1.00 0.10 H new ATOM 0 HB2 ARG B 15 2.801 -2.198 11.015 1.00 0.17 H new ATOM 0 HB3 ARG B 15 1.183 -1.739 10.521 1.00 0.17 H new ATOM 0 HG2 ARG B 15 0.567 -4.129 10.284 1.00 0.23 H new ATOM 0 HG3 ARG B 15 2.190 -4.600 10.749 1.00 0.23 H new ATOM 0 HD2 ARG B 15 1.936 -3.596 12.945 1.00 0.42 H new ATOM 0 HD3 ARG B 15 0.415 -2.855 12.491 1.00 0.42 H new ATOM 0 HE ARG B 15 0.063 -5.633 12.151 1.00 1.48 H new ATOM 0 HH11 ARG B 15 0.852 -3.365 14.743 1.00 1.45 H new ATOM 0 HH12 ARG B 15 0.075 -4.338 15.996 1.00 1.45 H new ATOM 0 HH21 ARG B 15 -0.938 -6.886 13.788 1.00 2.89 H new ATOM 0 HH22 ARG B 15 -0.931 -6.315 15.460 1.00 2.89 H new ATOM 1155 N ILE B 16 2.278 -0.308 7.771 1.00 0.09 N ATOM 1156 CA ILE B 16 2.662 1.075 7.510 1.00 0.09 C ATOM 1157 C ILE B 16 1.409 1.948 7.462 1.00 0.09 C ATOM 1158 O ILE B 16 0.296 1.456 7.628 1.00 0.10 O ATOM 1159 CB ILE B 16 3.487 1.243 6.200 1.00 0.09 C ATOM 1160 CG1 ILE B 16 2.574 1.372 4.977 1.00 0.11 C ATOM 1161 CG2 ILE B 16 4.467 0.089 6.019 1.00 0.10 C ATOM 1162 CD1 ILE B 16 3.319 1.330 3.662 1.00 0.12 C ATOM 0 H ILE B 16 1.457 -0.626 7.256 1.00 0.09 H new ATOM 0 HA ILE B 16 3.313 1.391 8.325 1.00 0.09 H new ATOM 0 HB ILE B 16 4.059 2.167 6.290 1.00 0.09 H new ATOM 0 HG12 ILE B 16 1.839 0.567 4.995 1.00 0.11 H new ATOM 0 HG13 ILE B 16 2.022 2.309 5.043 1.00 0.11 H new ATOM 0 HG21 ILE B 16 5.030 0.231 5.097 1.00 0.10 H new ATOM 0 HG22 ILE B 16 5.155 0.060 6.864 1.00 0.10 H new ATOM 0 HG23 ILE B 16 3.917 -0.851 5.967 1.00 0.10 H new ATOM 0 HD11 ILE B 16 2.611 1.427 2.839 1.00 0.12 H new ATOM 0 HD12 ILE B 16 4.035 2.151 3.623 1.00 0.12 H new ATOM 0 HD13 ILE B 16 3.850 0.382 3.575 1.00 0.12 H new ATOM 1174 N VAL B 17 1.581 3.231 7.224 1.00 0.09 N ATOM 1175 CA VAL B 17 0.462 4.151 7.280 1.00 0.09 C ATOM 1176 C VAL B 17 0.139 4.713 5.900 1.00 0.09 C ATOM 1177 O VAL B 17 0.960 5.394 5.279 1.00 0.13 O ATOM 1178 CB VAL B 17 0.712 5.297 8.297 1.00 0.10 C ATOM 1179 CG1 VAL B 17 2.061 5.964 8.078 1.00 0.12 C ATOM 1180 CG2 VAL B 17 -0.411 6.328 8.255 1.00 0.11 C ATOM 0 H VAL B 17 2.477 3.659 6.992 1.00 0.09 H new ATOM 0 HA VAL B 17 -0.403 3.585 7.626 1.00 0.09 H new ATOM 0 HB VAL B 17 0.724 4.845 9.289 1.00 0.10 H new ATOM 0 HG11 VAL B 17 2.196 6.760 8.810 1.00 0.12 H new ATOM 0 HG12 VAL B 17 2.855 5.226 8.193 1.00 0.12 H new ATOM 0 HG13 VAL B 17 2.100 6.385 7.073 1.00 0.12 H new ATOM 0 HG21 VAL B 17 -0.207 7.118 8.978 1.00 0.11 H new ATOM 0 HG22 VAL B 17 -0.473 6.758 7.255 1.00 0.11 H new ATOM 0 HG23 VAL B 17 -1.357 5.846 8.501 1.00 0.11 H new ATOM 1190 N MET B 18 -1.047 4.383 5.413 1.00 0.09 N ATOM 1191 CA MET B 18 -1.560 4.971 4.180 1.00 0.09 C ATOM 1192 C MET B 18 -2.134 6.334 4.527 1.00 0.08 C ATOM 1193 O MET B 18 -2.652 6.514 5.629 1.00 0.15 O ATOM 1194 CB MET B 18 -2.655 4.092 3.561 1.00 0.17 C ATOM 1195 CG MET B 18 -2.234 2.660 3.252 1.00 0.20 C ATOM 1196 SD MET B 18 -1.503 2.467 1.612 1.00 0.90 S ATOM 1197 CE MET B 18 0.152 3.086 1.863 1.00 0.50 C ATOM 0 H MET B 18 -1.675 3.710 5.852 1.00 0.09 H new ATOM 0 HA MET B 18 -0.755 5.056 3.451 1.00 0.09 H new ATOM 0 HB2 MET B 18 -3.506 4.066 4.241 1.00 0.17 H new ATOM 0 HB3 MET B 18 -2.998 4.561 2.639 1.00 0.17 H new ATOM 0 HG2 MET B 18 -1.516 2.330 4.003 1.00 0.20 H new ATOM 0 HG3 MET B 18 -3.103 2.008 3.333 1.00 0.20 H new ATOM 0 HE1 MET B 18 0.851 2.515 1.251 1.00 0.50 H new ATOM 0 HE2 MET B 18 0.195 4.137 1.578 1.00 0.50 H new ATOM 0 HE3 MET B 18 0.423 2.984 2.914 1.00 0.50 H new ATOM 1207 N PRO B 19 -2.063 7.323 3.631 1.00 0.09 N ATOM 1208 CA PRO B 19 -2.471 8.655 3.976 1.00 0.11 C ATOM 1209 C PRO B 19 -3.952 8.913 3.722 1.00 0.12 C ATOM 1210 O PRO B 19 -4.659 8.126 3.063 1.00 0.12 O ATOM 1211 CB PRO B 19 -1.587 9.533 3.083 1.00 0.14 C ATOM 1212 CG PRO B 19 -1.167 8.672 1.930 1.00 0.19 C ATOM 1213 CD PRO B 19 -1.603 7.245 2.239 1.00 0.14 C ATOM 0 HA PRO B 19 -2.352 8.855 5.041 1.00 0.11 H new ATOM 0 HB2 PRO B 19 -2.134 10.409 2.735 1.00 0.14 H new ATOM 0 HB3 PRO B 19 -0.719 9.897 3.633 1.00 0.14 H new ATOM 0 HG2 PRO B 19 -1.625 9.021 1.005 1.00 0.19 H new ATOM 0 HG3 PRO B 19 -0.087 8.721 1.789 1.00 0.19 H new ATOM 0 HD2 PRO B 19 -2.398 6.914 1.571 1.00 0.14 H new ATOM 0 HD3 PRO B 19 -0.779 6.540 2.127 1.00 0.14 H new ATOM 1221 N ILE B 20 -4.424 10.014 4.279 1.00 0.15 N ATOM 1222 CA ILE B 20 -5.759 10.511 4.011 1.00 0.17 C ATOM 1223 C ILE B 20 -6.017 10.568 2.508 1.00 0.16 C ATOM 1224 O ILE B 20 -7.135 10.381 2.058 1.00 0.17 O ATOM 1225 CB ILE B 20 -5.929 11.912 4.623 1.00 0.21 C ATOM 1226 CG1 ILE B 20 -7.262 12.538 4.208 1.00 0.25 C ATOM 1227 CG2 ILE B 20 -4.746 12.793 4.240 1.00 0.21 C ATOM 1228 CD1 ILE B 20 -8.462 11.892 4.870 1.00 0.27 C ATOM 0 H ILE B 20 -3.890 10.589 4.931 1.00 0.15 H new ATOM 0 HA ILE B 20 -6.480 9.830 4.463 1.00 0.17 H new ATOM 0 HB ILE B 20 -5.947 11.822 5.709 1.00 0.21 H new ATOM 0 HG12 ILE B 20 -7.248 13.600 4.454 1.00 0.25 H new ATOM 0 HG13 ILE B 20 -7.369 12.463 3.126 1.00 0.25 H new ATOM 0 HG21 ILE B 20 -4.873 13.783 4.677 1.00 0.21 H new ATOM 0 HG22 ILE B 20 -3.824 12.347 4.614 1.00 0.21 H new ATOM 0 HG23 ILE B 20 -4.693 12.879 3.155 1.00 0.21 H new ATOM 0 HD11 ILE B 20 -9.373 12.384 4.531 1.00 0.27 H new ATOM 0 HD12 ILE B 20 -8.500 10.836 4.604 1.00 0.27 H new ATOM 0 HD13 ILE B 20 -8.377 11.990 5.952 1.00 0.27 H new ATOM 1240 N GLU B 21 -4.957 10.800 1.750 1.00 0.16 N ATOM 1241 CA GLU B 21 -5.005 10.821 0.293 1.00 0.18 C ATOM 1242 C GLU B 21 -5.593 9.532 -0.250 1.00 0.14 C ATOM 1243 O GLU B 21 -6.371 9.549 -1.195 1.00 0.15 O ATOM 1244 CB GLU B 21 -3.593 10.974 -0.229 1.00 0.24 C ATOM 1245 CG GLU B 21 -2.716 11.750 0.731 1.00 0.22 C ATOM 1246 CD GLU B 21 -2.909 13.245 0.609 1.00 0.42 C ATOM 1247 OE1 GLU B 21 -3.936 13.749 1.113 1.00 1.23 O ATOM 1248 OE2 GLU B 21 -2.047 13.921 0.017 1.00 0.98 O ATOM 0 H GLU B 21 -4.028 10.981 2.131 1.00 0.16 H new ATOM 0 HA GLU B 21 -5.634 11.651 -0.029 1.00 0.18 H new ATOM 0 HB2 GLU B 21 -3.160 9.988 -0.400 1.00 0.24 H new ATOM 0 HB3 GLU B 21 -3.616 11.483 -1.192 1.00 0.24 H new ATOM 0 HG2 GLU B 21 -2.937 11.440 1.752 1.00 0.22 H new ATOM 0 HG3 GLU B 21 -1.671 11.505 0.543 1.00 0.22 H new ATOM 1255 N LEU B 22 -5.225 8.422 0.375 1.00 0.13 N ATOM 1256 CA LEU B 22 -5.719 7.119 -0.028 1.00 0.13 C ATOM 1257 C LEU B 22 -7.189 7.027 0.307 1.00 0.14 C ATOM 1258 O LEU B 22 -7.994 6.541 -0.484 1.00 0.16 O ATOM 1259 CB LEU B 22 -4.928 6.000 0.672 1.00 0.13 C ATOM 1260 CG LEU B 22 -5.718 4.720 0.969 1.00 0.15 C ATOM 1261 CD1 LEU B 22 -4.876 3.488 0.679 1.00 0.15 C ATOM 1262 CD2 LEU B 22 -6.176 4.709 2.424 1.00 0.21 C ATOM 0 H LEU B 22 -4.582 8.402 1.167 1.00 0.13 H new ATOM 0 HA LEU B 22 -5.585 6.995 -1.103 1.00 0.13 H new ATOM 0 HB2 LEU B 22 -4.071 5.741 0.050 1.00 0.13 H new ATOM 0 HB3 LEU B 22 -4.535 6.390 1.611 1.00 0.13 H new ATOM 0 HG LEU B 22 -6.594 4.700 0.320 1.00 0.15 H new ATOM 0 HD11 LEU B 22 -5.456 2.591 0.897 1.00 0.15 H new ATOM 0 HD12 LEU B 22 -4.585 3.486 -0.371 1.00 0.15 H new ATOM 0 HD13 LEU B 22 -3.983 3.503 1.303 1.00 0.15 H new ATOM 0 HD21 LEU B 22 -6.736 3.795 2.622 1.00 0.21 H new ATOM 0 HD22 LEU B 22 -5.306 4.751 3.080 1.00 0.21 H new ATOM 0 HD23 LEU B 22 -6.814 5.573 2.611 1.00 0.21 H new ATOM 1274 N ARG B 23 -7.530 7.505 1.492 1.00 0.16 N ATOM 1275 CA ARG B 23 -8.921 7.554 1.922 1.00 0.19 C ATOM 1276 C ARG B 23 -9.769 8.358 0.937 1.00 0.20 C ATOM 1277 O ARG B 23 -10.807 7.884 0.475 1.00 0.23 O ATOM 1278 CB ARG B 23 -9.004 8.168 3.320 1.00 0.24 C ATOM 1279 CG ARG B 23 -8.103 7.481 4.334 1.00 0.28 C ATOM 1280 CD ARG B 23 -8.079 8.220 5.661 1.00 0.52 C ATOM 1281 NE ARG B 23 -9.397 8.271 6.295 1.00 0.83 N ATOM 1282 CZ ARG B 23 -9.600 8.690 7.546 1.00 0.85 C ATOM 1283 NH1 ARG B 23 -8.568 9.038 8.304 1.00 0.78 N ATOM 1284 NH2 ARG B 23 -10.829 8.738 8.043 1.00 1.75 N ATOM 0 H ARG B 23 -6.864 7.865 2.175 1.00 0.16 H new ATOM 0 HA ARG B 23 -9.314 6.538 1.951 1.00 0.19 H new ATOM 0 HB2 ARG B 23 -8.736 9.223 3.262 1.00 0.24 H new ATOM 0 HB3 ARG B 23 -10.035 8.120 3.670 1.00 0.24 H new ATOM 0 HG2 ARG B 23 -8.448 6.459 4.493 1.00 0.28 H new ATOM 0 HG3 ARG B 23 -7.090 7.417 3.936 1.00 0.28 H new ATOM 0 HD2 ARG B 23 -7.374 7.731 6.333 1.00 0.52 H new ATOM 0 HD3 ARG B 23 -7.716 9.235 5.502 1.00 0.52 H new ATOM 0 HE ARG B 23 -10.205 7.970 5.751 1.00 0.83 H new ATOM 0 HH11 ARG B 23 -7.620 8.985 7.931 1.00 0.78 H new ATOM 0 HH12 ARG B 23 -8.722 9.358 9.260 1.00 0.78 H new ATOM 0 HH21 ARG B 23 -11.623 8.454 7.469 1.00 1.75 H new ATOM 0 HH22 ARG B 23 -10.980 9.059 8.999 1.00 1.75 H new ATOM 1298 N ARG B 24 -9.314 9.576 0.653 1.00 0.21 N ATOM 1299 CA ARG B 24 -9.956 10.468 -0.316 1.00 0.23 C ATOM 1300 C ARG B 24 -10.079 9.803 -1.678 1.00 0.22 C ATOM 1301 O ARG B 24 -11.164 9.747 -2.257 1.00 0.23 O ATOM 1302 CB ARG B 24 -9.130 11.751 -0.475 1.00 0.24 C ATOM 1303 CG ARG B 24 -8.911 12.526 0.803 1.00 0.28 C ATOM 1304 CD ARG B 24 -7.723 13.465 0.663 1.00 0.32 C ATOM 1305 NE ARG B 24 -7.901 14.433 -0.418 1.00 0.48 N ATOM 1306 CZ ARG B 24 -6.910 15.121 -0.990 1.00 0.71 C ATOM 1307 NH1 ARG B 24 -5.649 14.963 -0.589 1.00 0.82 N ATOM 1308 NH2 ARG B 24 -7.185 15.972 -1.972 1.00 1.00 N ATOM 0 H ARG B 24 -8.484 9.977 1.090 1.00 0.21 H new ATOM 0 HA ARG B 24 -10.952 10.701 0.060 1.00 0.23 H new ATOM 0 HB2 ARG B 24 -8.159 11.491 -0.897 1.00 0.24 H new ATOM 0 HB3 ARG B 24 -9.628 12.400 -1.196 1.00 0.24 H new ATOM 0 HG2 ARG B 24 -9.807 13.098 1.046 1.00 0.28 H new ATOM 0 HG3 ARG B 24 -8.740 11.835 1.629 1.00 0.28 H new ATOM 0 HD2 ARG B 24 -7.572 13.997 1.602 1.00 0.32 H new ATOM 0 HD3 ARG B 24 -6.821 12.881 0.479 1.00 0.32 H new ATOM 0 HE ARG B 24 -8.849 14.594 -0.759 1.00 0.48 H new ATOM 0 HH11 ARG B 24 -5.431 14.310 0.164 1.00 0.82 H new ATOM 0 HH12 ARG B 24 -4.902 15.495 -1.035 1.00 0.82 H new ATOM 0 HH21 ARG B 24 -8.148 16.096 -2.284 1.00 1.00 H new ATOM 0 HH22 ARG B 24 -6.433 16.501 -2.414 1.00 1.00 H new ATOM 1322 N ALA B 25 -8.947 9.326 -2.183 1.00 0.21 N ATOM 1323 CA ALA B 25 -8.875 8.651 -3.470 1.00 0.22 C ATOM 1324 C ALA B 25 -9.919 7.559 -3.607 1.00 0.23 C ATOM 1325 O ALA B 25 -10.657 7.504 -4.591 1.00 0.25 O ATOM 1326 CB ALA B 25 -7.497 8.037 -3.636 1.00 0.22 C ATOM 0 H ALA B 25 -8.048 9.398 -1.706 1.00 0.21 H new ATOM 0 HA ALA B 25 -9.067 9.396 -4.242 1.00 0.22 H new ATOM 0 HB1 ALA B 25 -7.438 7.530 -4.599 1.00 0.22 H new ATOM 0 HB2 ALA B 25 -6.741 8.821 -3.592 1.00 0.22 H new ATOM 0 HB3 ALA B 25 -7.320 7.318 -2.836 1.00 0.22 H new ATOM 1332 N LEU B 26 -9.965 6.689 -2.612 1.00 0.24 N ATOM 1333 CA LEU B 26 -10.814 5.519 -2.668 1.00 0.28 C ATOM 1334 C LEU B 26 -12.203 5.812 -2.111 1.00 0.30 C ATOM 1335 O LEU B 26 -13.109 6.198 -2.853 1.00 0.37 O ATOM 1336 CB LEU B 26 -10.168 4.365 -1.898 1.00 0.27 C ATOM 1337 CG LEU B 26 -8.743 4.013 -2.329 1.00 0.27 C ATOM 1338 CD1 LEU B 26 -8.218 2.830 -1.531 1.00 0.27 C ATOM 1339 CD2 LEU B 26 -8.697 3.711 -3.813 1.00 0.35 C ATOM 0 H LEU B 26 -9.420 6.775 -1.754 1.00 0.24 H new ATOM 0 HA LEU B 26 -10.927 5.234 -3.714 1.00 0.28 H new ATOM 0 HB2 LEU B 26 -10.158 4.617 -0.838 1.00 0.27 H new ATOM 0 HB3 LEU B 26 -10.794 3.479 -2.009 1.00 0.27 H new ATOM 0 HG LEU B 26 -8.103 4.873 -2.130 1.00 0.27 H new ATOM 0 HD11 LEU B 26 -7.203 2.596 -1.853 1.00 0.27 H new ATOM 0 HD12 LEU B 26 -8.214 3.080 -0.470 1.00 0.27 H new ATOM 0 HD13 LEU B 26 -8.860 1.965 -1.697 1.00 0.27 H new ATOM 0 HD21 LEU B 26 -7.676 3.463 -4.102 1.00 0.35 H new ATOM 0 HD22 LEU B 26 -9.352 2.868 -4.033 1.00 0.35 H new ATOM 0 HD23 LEU B 26 -9.030 4.585 -4.373 1.00 0.35 H new ATOM 1351 N ASP B 27 -12.352 5.654 -0.799 1.00 0.32 N ATOM 1352 CA ASP B 27 -13.657 5.745 -0.148 1.00 0.36 C ATOM 1353 C ASP B 27 -13.515 5.475 1.352 1.00 0.42 C ATOM 1354 O ASP B 27 -14.492 5.187 2.040 1.00 0.75 O ATOM 1355 CB ASP B 27 -14.609 4.720 -0.792 1.00 0.45 C ATOM 1356 CG ASP B 27 -16.055 4.867 -0.358 1.00 0.91 C ATOM 1357 OD1 ASP B 27 -16.583 6.001 -0.402 1.00 1.77 O ATOM 1358 OD2 ASP B 27 -16.684 3.843 -0.010 1.00 1.57 O ATOM 0 H ASP B 27 -11.580 5.461 -0.161 1.00 0.32 H new ATOM 0 HA ASP B 27 -14.065 6.748 -0.277 1.00 0.36 H new ATOM 0 HB2 ASP B 27 -14.553 4.818 -1.876 1.00 0.45 H new ATOM 0 HB3 ASP B 27 -14.266 3.715 -0.545 1.00 0.45 H new ATOM 1363 N ILE B 28 -12.294 5.626 1.866 1.00 0.28 N ATOM 1364 CA ILE B 28 -11.976 5.154 3.217 1.00 0.29 C ATOM 1365 C ILE B 28 -12.609 6.051 4.267 1.00 0.32 C ATOM 1366 O ILE B 28 -12.305 7.244 4.353 1.00 0.33 O ATOM 1367 CB ILE B 28 -10.446 5.058 3.492 1.00 0.30 C ATOM 1368 CG1 ILE B 28 -9.786 3.894 2.736 1.00 0.29 C ATOM 1369 CG2 ILE B 28 -10.190 4.886 4.986 1.00 0.38 C ATOM 1370 CD1 ILE B 28 -10.124 3.821 1.275 1.00 0.28 C ATOM 0 H ILE B 28 -11.516 6.066 1.375 1.00 0.28 H new ATOM 0 HA ILE B 28 -12.389 4.147 3.281 1.00 0.29 H new ATOM 0 HB ILE B 28 -10.003 5.988 3.135 1.00 0.30 H new ATOM 0 HG12 ILE B 28 -8.704 3.978 2.841 1.00 0.29 H new ATOM 0 HG13 ILE B 28 -10.080 2.958 3.210 1.00 0.29 H new ATOM 0 HG21 ILE B 28 -9.117 4.820 5.166 1.00 0.38 H new ATOM 0 HG22 ILE B 28 -10.597 5.741 5.526 1.00 0.38 H new ATOM 0 HG23 ILE B 28 -10.673 3.974 5.335 1.00 0.38 H new ATOM 0 HD11 ILE B 28 -9.613 2.969 0.826 1.00 0.28 H new ATOM 0 HD12 ILE B 28 -11.201 3.702 1.156 1.00 0.28 H new ATOM 0 HD13 ILE B 28 -9.803 4.738 0.781 1.00 0.28 H new ATOM 1382 N ALA B 29 -13.474 5.464 5.074 1.00 0.38 N ATOM 1383 CA ALA B 29 -14.164 6.200 6.111 1.00 0.40 C ATOM 1384 C ALA B 29 -13.403 6.095 7.422 1.00 0.39 C ATOM 1385 O ALA B 29 -13.128 7.100 8.077 1.00 0.47 O ATOM 1386 CB ALA B 29 -15.581 5.674 6.259 1.00 0.39 C ATOM 0 H ALA B 29 -13.715 4.474 5.028 1.00 0.38 H new ATOM 0 HA ALA B 29 -14.215 7.253 5.834 1.00 0.40 H new ATOM 0 HB1 ALA B 29 -16.096 6.232 7.041 1.00 0.39 H new ATOM 0 HB2 ALA B 29 -16.114 5.795 5.316 1.00 0.39 H new ATOM 0 HB3 ALA B 29 -15.551 4.618 6.526 1.00 0.39 H new ATOM 1392 N ILE B 30 -13.048 4.872 7.784 1.00 0.35 N ATOM 1393 CA ILE B 30 -12.274 4.626 8.994 1.00 0.36 C ATOM 1394 C ILE B 30 -11.528 3.295 8.880 1.00 0.37 C ATOM 1395 O ILE B 30 -10.397 3.172 9.340 1.00 0.47 O ATOM 1396 CB ILE B 30 -13.176 4.681 10.265 1.00 0.35 C ATOM 1397 CG1 ILE B 30 -12.346 4.664 11.564 1.00 0.39 C ATOM 1398 CG2 ILE B 30 -14.205 3.556 10.265 1.00 0.32 C ATOM 1399 CD1 ILE B 30 -11.971 3.284 12.065 1.00 0.39 C ATOM 0 H ILE B 30 -13.284 4.031 7.257 1.00 0.35 H new ATOM 0 HA ILE B 30 -11.534 5.419 9.101 1.00 0.36 H new ATOM 0 HB ILE B 30 -13.711 5.630 10.232 1.00 0.35 H new ATOM 0 HG12 ILE B 30 -11.432 5.236 11.401 1.00 0.39 H new ATOM 0 HG13 ILE B 30 -12.909 5.177 12.344 1.00 0.39 H new ATOM 0 HG21 ILE B 30 -14.817 3.623 11.164 1.00 0.32 H new ATOM 0 HG22 ILE B 30 -14.842 3.645 9.385 1.00 0.32 H new ATOM 0 HG23 ILE B 30 -13.693 2.594 10.246 1.00 0.32 H new ATOM 0 HD11 ILE B 30 -11.389 3.376 12.982 1.00 0.39 H new ATOM 0 HD12 ILE B 30 -12.876 2.711 12.265 1.00 0.39 H new ATOM 0 HD13 ILE B 30 -11.377 2.771 11.308 1.00 0.39 H new ATOM 1411 N LYS B 31 -12.154 2.308 8.241 1.00 0.30 N ATOM 1412 CA LYS B 31 -11.501 1.026 7.981 1.00 0.37 C ATOM 1413 C LYS B 31 -11.657 0.653 6.513 1.00 0.36 C ATOM 1414 O LYS B 31 -10.733 0.135 5.888 1.00 0.52 O ATOM 1415 CB LYS B 31 -12.079 -0.079 8.871 1.00 0.40 C ATOM 1416 CG LYS B 31 -12.040 0.264 10.351 1.00 0.41 C ATOM 1417 CD LYS B 31 -12.317 -0.941 11.234 1.00 0.32 C ATOM 1418 CE LYS B 31 -11.170 -1.936 11.204 1.00 0.33 C ATOM 1419 NZ LYS B 31 -11.333 -2.991 12.235 1.00 0.39 N ATOM 0 H LYS B 31 -13.111 2.371 7.894 1.00 0.30 H new ATOM 0 HA LYS B 31 -10.442 1.128 8.216 1.00 0.37 H new ATOM 0 HB2 LYS B 31 -13.110 -0.272 8.576 1.00 0.40 H new ATOM 0 HB3 LYS B 31 -11.522 -1.001 8.703 1.00 0.40 H new ATOM 0 HG2 LYS B 31 -11.062 0.676 10.600 1.00 0.41 H new ATOM 0 HG3 LYS B 31 -12.775 1.041 10.560 1.00 0.41 H new ATOM 0 HD2 LYS B 31 -12.485 -0.610 12.259 1.00 0.32 H new ATOM 0 HD3 LYS B 31 -13.233 -1.431 10.904 1.00 0.32 H new ATOM 0 HE2 LYS B 31 -11.113 -2.396 10.218 1.00 0.33 H new ATOM 0 HE3 LYS B 31 -10.228 -1.411 11.366 1.00 0.33 H new ATOM 0 HZ1 LYS B 31 -10.532 -3.652 12.185 1.00 0.39 H new ATOM 0 HZ2 LYS B 31 -11.362 -2.553 13.178 1.00 0.39 H new ATOM 0 HZ3 LYS B 31 -12.219 -3.508 12.066 1.00 0.39 H new ATOM 1433 N ASP B 32 -12.843 0.931 5.993 1.00 0.24 N ATOM 1434 CA ASP B 32 -13.192 0.745 4.585 1.00 0.23 C ATOM 1435 C ASP B 32 -12.815 -0.635 4.036 1.00 0.34 C ATOM 1436 O ASP B 32 -13.524 -1.597 4.301 1.00 0.82 O ATOM 1437 CB ASP B 32 -12.593 1.849 3.728 1.00 0.26 C ATOM 1438 CG ASP B 32 -13.506 2.197 2.583 1.00 1.12 C ATOM 1439 OD1 ASP B 32 -14.725 2.329 2.819 1.00 1.79 O ATOM 1440 OD2 ASP B 32 -13.023 2.336 1.448 1.00 1.83 O ATOM 0 H ASP B 32 -13.613 1.302 6.550 1.00 0.24 H new ATOM 0 HA ASP B 32 -14.279 0.804 4.534 1.00 0.23 H new ATOM 0 HB2 ASP B 32 -12.417 2.734 4.339 1.00 0.26 H new ATOM 0 HB3 ASP B 32 -11.625 1.530 3.342 1.00 0.26 H new ATOM 1445 N SER B 33 -11.690 -0.722 3.306 1.00 0.23 N ATOM 1446 CA SER B 33 -11.242 -1.944 2.605 1.00 0.17 C ATOM 1447 C SER B 33 -10.075 -1.587 1.686 1.00 0.17 C ATOM 1448 O SER B 33 -10.210 -0.694 0.854 1.00 0.24 O ATOM 1449 CB SER B 33 -12.332 -2.552 1.704 1.00 0.18 C ATOM 1450 OG SER B 33 -13.355 -3.206 2.434 1.00 0.22 O ATOM 0 H SER B 33 -11.054 0.066 3.183 1.00 0.23 H new ATOM 0 HA SER B 33 -10.974 -2.665 3.377 1.00 0.17 H new ATOM 0 HB2 SER B 33 -12.775 -1.763 1.097 1.00 0.18 H new ATOM 0 HB3 SER B 33 -11.873 -3.263 1.017 1.00 0.18 H new ATOM 0 HG SER B 33 -13.355 -2.883 3.359 1.00 0.22 H new ATOM 1456 N ILE B 34 -8.933 -2.249 1.822 1.00 0.15 N ATOM 1457 CA ILE B 34 -7.856 -2.049 0.857 1.00 0.16 C ATOM 1458 C ILE B 34 -7.215 -3.377 0.476 1.00 0.14 C ATOM 1459 O ILE B 34 -6.621 -4.047 1.306 1.00 0.14 O ATOM 1460 CB ILE B 34 -6.745 -1.086 1.346 1.00 0.22 C ATOM 1461 CG1 ILE B 34 -7.277 -0.024 2.313 1.00 0.25 C ATOM 1462 CG2 ILE B 34 -6.117 -0.406 0.145 1.00 0.32 C ATOM 1463 CD1 ILE B 34 -7.304 -0.477 3.754 1.00 0.40 C ATOM 0 H ILE B 34 -8.729 -2.912 2.570 1.00 0.15 H new ATOM 0 HA ILE B 34 -8.332 -1.588 -0.008 1.00 0.16 H new ATOM 0 HB ILE B 34 -6.006 -1.677 1.887 1.00 0.22 H new ATOM 0 HG12 ILE B 34 -6.659 0.870 2.234 1.00 0.25 H new ATOM 0 HG13 ILE B 34 -8.286 0.258 2.011 1.00 0.25 H new ATOM 0 HG21 ILE B 34 -5.334 0.274 0.480 1.00 0.32 H new ATOM 0 HG22 ILE B 34 -5.686 -1.159 -0.515 1.00 0.32 H new ATOM 0 HG23 ILE B 34 -6.879 0.156 -0.394 1.00 0.32 H new ATOM 0 HD11 ILE B 34 -7.692 0.326 4.381 1.00 0.40 H new ATOM 0 HD12 ILE B 34 -7.946 -1.353 3.848 1.00 0.40 H new ATOM 0 HD13 ILE B 34 -6.294 -0.731 4.074 1.00 0.40 H new ATOM 1475 N GLU B 35 -7.321 -3.729 -0.790 1.00 0.14 N ATOM 1476 CA GLU B 35 -6.820 -5.001 -1.295 1.00 0.13 C ATOM 1477 C GLU B 35 -5.586 -4.755 -2.153 1.00 0.12 C ATOM 1478 O GLU B 35 -5.609 -3.883 -3.025 1.00 0.15 O ATOM 1479 CB GLU B 35 -7.919 -5.684 -2.113 1.00 0.18 C ATOM 1480 CG GLU B 35 -7.478 -6.952 -2.819 1.00 0.27 C ATOM 1481 CD GLU B 35 -8.542 -7.477 -3.760 1.00 0.49 C ATOM 1482 OE1 GLU B 35 -8.625 -6.971 -4.905 1.00 1.24 O ATOM 1483 OE2 GLU B 35 -9.293 -8.387 -3.370 1.00 1.21 O ATOM 0 H GLU B 35 -7.757 -3.143 -1.502 1.00 0.14 H new ATOM 0 HA GLU B 35 -6.542 -5.651 -0.465 1.00 0.13 H new ATOM 0 HB2 GLU B 35 -8.752 -5.922 -1.452 1.00 0.18 H new ATOM 0 HB3 GLU B 35 -8.293 -4.980 -2.856 1.00 0.18 H new ATOM 0 HG2 GLU B 35 -6.564 -6.756 -3.379 1.00 0.27 H new ATOM 0 HG3 GLU B 35 -7.240 -7.715 -2.078 1.00 0.27 H new ATOM 1490 N PHE B 36 -4.507 -5.501 -1.919 1.00 0.11 N ATOM 1491 CA PHE B 36 -3.250 -5.180 -2.602 1.00 0.11 C ATOM 1492 C PHE B 36 -2.801 -6.237 -3.612 1.00 0.13 C ATOM 1493 O PHE B 36 -3.103 -7.429 -3.508 1.00 0.15 O ATOM 1494 CB PHE B 36 -2.097 -4.881 -1.629 1.00 0.13 C ATOM 1495 CG PHE B 36 -2.466 -4.891 -0.175 1.00 0.17 C ATOM 1496 CD1 PHE B 36 -3.296 -3.915 0.351 1.00 1.22 C ATOM 1497 CD2 PHE B 36 -1.971 -5.867 0.667 1.00 1.14 C ATOM 1498 CE1 PHE B 36 -3.629 -3.920 1.688 1.00 1.29 C ATOM 1499 CE2 PHE B 36 -2.300 -5.876 2.008 1.00 1.13 C ATOM 1500 CZ PHE B 36 -3.129 -4.901 2.516 1.00 0.37 C ATOM 0 H PHE B 36 -4.472 -6.302 -1.288 1.00 0.11 H new ATOM 0 HA PHE B 36 -3.486 -4.272 -3.158 1.00 0.11 H new ATOM 0 HB2 PHE B 36 -1.307 -5.614 -1.791 1.00 0.13 H new ATOM 0 HB3 PHE B 36 -1.680 -3.904 -1.874 1.00 0.13 H new ATOM 0 HD1 PHE B 36 -3.686 -3.142 -0.294 1.00 1.22 H new ATOM 0 HD2 PHE B 36 -1.319 -6.632 0.272 1.00 1.14 H new ATOM 0 HE1 PHE B 36 -4.281 -3.156 2.086 1.00 1.29 H new ATOM 0 HE2 PHE B 36 -1.908 -6.646 2.657 1.00 1.13 H new ATOM 0 HZ PHE B 36 -3.388 -4.905 3.565 1.00 0.37 H new ATOM 1510 N PHE B 37 -2.070 -5.733 -4.595 1.00 0.15 N ATOM 1511 CA PHE B 37 -1.480 -6.499 -5.683 1.00 0.17 C ATOM 1512 C PHE B 37 0.011 -6.212 -5.685 1.00 0.15 C ATOM 1513 O PHE B 37 0.435 -5.175 -5.195 1.00 0.16 O ATOM 1514 CB PHE B 37 -2.129 -6.030 -6.998 1.00 0.21 C ATOM 1515 CG PHE B 37 -1.767 -6.800 -8.242 1.00 0.24 C ATOM 1516 CD1 PHE B 37 -0.613 -6.507 -8.951 1.00 1.22 C ATOM 1517 CD2 PHE B 37 -2.606 -7.794 -8.721 1.00 1.17 C ATOM 1518 CE1 PHE B 37 -0.299 -7.196 -10.108 1.00 1.22 C ATOM 1519 CE2 PHE B 37 -2.302 -8.482 -9.879 1.00 1.21 C ATOM 1520 CZ PHE B 37 -1.146 -8.183 -10.573 1.00 0.36 C ATOM 0 H PHE B 37 -1.863 -4.736 -4.659 1.00 0.15 H new ATOM 0 HA PHE B 37 -1.643 -7.571 -5.570 1.00 0.17 H new ATOM 0 HB2 PHE B 37 -3.211 -6.069 -6.876 1.00 0.21 H new ATOM 0 HB3 PHE B 37 -1.863 -4.985 -7.155 1.00 0.21 H new ATOM 0 HD1 PHE B 37 0.049 -5.731 -8.596 1.00 1.22 H new ATOM 0 HD2 PHE B 37 -3.510 -8.034 -8.181 1.00 1.17 H new ATOM 0 HE1 PHE B 37 0.607 -6.963 -10.647 1.00 1.22 H new ATOM 0 HE2 PHE B 37 -2.967 -9.252 -10.241 1.00 1.21 H new ATOM 0 HZ PHE B 37 -0.905 -8.720 -11.478 1.00 0.36 H new ATOM 1530 N VAL B 38 0.802 -7.126 -6.194 1.00 0.18 N ATOM 1531 CA VAL B 38 2.234 -6.899 -6.281 1.00 0.18 C ATOM 1532 C VAL B 38 2.743 -7.230 -7.673 1.00 0.24 C ATOM 1533 O VAL B 38 2.387 -8.254 -8.252 1.00 0.30 O ATOM 1534 CB VAL B 38 3.011 -7.692 -5.208 1.00 0.24 C ATOM 1535 CG1 VAL B 38 2.704 -9.179 -5.270 1.00 0.34 C ATOM 1536 CG2 VAL B 38 4.505 -7.451 -5.336 1.00 0.25 C ATOM 0 H VAL B 38 0.487 -8.028 -6.553 1.00 0.18 H new ATOM 0 HA VAL B 38 2.410 -5.841 -6.088 1.00 0.18 H new ATOM 0 HB VAL B 38 2.681 -7.329 -4.235 1.00 0.24 H new ATOM 0 HG11 VAL B 38 3.271 -9.700 -4.499 1.00 0.34 H new ATOM 0 HG12 VAL B 38 1.638 -9.338 -5.106 1.00 0.34 H new ATOM 0 HG13 VAL B 38 2.982 -9.567 -6.250 1.00 0.34 H new ATOM 0 HG21 VAL B 38 5.032 -8.020 -4.570 1.00 0.25 H new ATOM 0 HG22 VAL B 38 4.842 -7.771 -6.322 1.00 0.25 H new ATOM 0 HG23 VAL B 38 4.715 -6.389 -5.208 1.00 0.25 H new ATOM 1546 N ASP B 39 3.554 -6.343 -8.213 1.00 0.27 N ATOM 1547 CA ASP B 39 4.038 -6.479 -9.576 1.00 0.34 C ATOM 1548 C ASP B 39 5.533 -6.231 -9.635 1.00 0.35 C ATOM 1549 O ASP B 39 5.975 -5.083 -9.692 1.00 0.30 O ATOM 1550 CB ASP B 39 3.314 -5.499 -10.496 1.00 0.35 C ATOM 1551 CG ASP B 39 3.760 -5.625 -11.938 1.00 0.52 C ATOM 1552 OD1 ASP B 39 3.638 -6.726 -12.510 1.00 1.08 O ATOM 1553 OD2 ASP B 39 4.233 -4.617 -12.506 1.00 1.35 O ATOM 0 H ASP B 39 3.895 -5.514 -7.726 1.00 0.27 H new ATOM 0 HA ASP B 39 3.836 -7.496 -9.912 1.00 0.34 H new ATOM 0 HB2 ASP B 39 2.240 -5.673 -10.434 1.00 0.35 H new ATOM 0 HB3 ASP B 39 3.493 -4.481 -10.151 1.00 0.35 H new ATOM 1558 N GLY B 40 6.304 -7.306 -9.587 1.00 0.43 N ATOM 1559 CA GLY B 40 7.749 -7.198 -9.640 1.00 0.48 C ATOM 1560 C GLY B 40 8.325 -6.510 -8.419 1.00 0.42 C ATOM 1561 O GLY B 40 8.695 -7.160 -7.442 1.00 0.47 O ATOM 0 H GLY B 40 5.952 -8.260 -9.512 1.00 0.43 H new ATOM 0 HA2 GLY B 40 8.181 -8.195 -9.729 1.00 0.48 H new ATOM 0 HA3 GLY B 40 8.036 -6.645 -10.534 1.00 0.48 H new ATOM 1565 N ASP B 41 8.382 -5.189 -8.478 1.00 0.34 N ATOM 1566 CA ASP B 41 8.902 -4.387 -7.384 1.00 0.31 C ATOM 1567 C ASP B 41 7.872 -3.339 -7.009 1.00 0.22 C ATOM 1568 O ASP B 41 8.202 -2.299 -6.436 1.00 0.26 O ATOM 1569 CB ASP B 41 10.194 -3.663 -7.778 1.00 0.38 C ATOM 1570 CG ASP B 41 10.890 -4.245 -8.993 1.00 1.04 C ATOM 1571 OD1 ASP B 41 11.697 -5.186 -8.842 1.00 1.74 O ATOM 1572 OD2 ASP B 41 10.649 -3.740 -10.114 1.00 1.81 O ATOM 0 H ASP B 41 8.070 -4.645 -9.283 1.00 0.34 H new ATOM 0 HA ASP B 41 9.114 -5.056 -6.550 1.00 0.31 H new ATOM 0 HB2 ASP B 41 9.965 -2.615 -7.972 1.00 0.38 H new ATOM 0 HB3 ASP B 41 10.882 -3.687 -6.933 1.00 0.38 H new ATOM 1577 N LYS B 42 6.625 -3.596 -7.355 1.00 0.18 N ATOM 1578 CA LYS B 42 5.566 -2.632 -7.130 1.00 0.13 C ATOM 1579 C LYS B 42 4.427 -3.235 -6.319 1.00 0.11 C ATOM 1580 O LYS B 42 4.186 -4.436 -6.368 1.00 0.15 O ATOM 1581 CB LYS B 42 5.039 -2.133 -8.474 1.00 0.12 C ATOM 1582 CG LYS B 42 3.706 -1.418 -8.377 1.00 0.14 C ATOM 1583 CD LYS B 42 3.298 -0.820 -9.709 1.00 0.33 C ATOM 1584 CE LYS B 42 3.296 -1.869 -10.808 1.00 0.75 C ATOM 1585 NZ LYS B 42 2.870 -1.305 -12.117 1.00 0.55 N ATOM 0 H LYS B 42 6.321 -4.465 -7.793 1.00 0.18 H new ATOM 0 HA LYS B 42 5.977 -1.799 -6.560 1.00 0.13 H new ATOM 0 HB2 LYS B 42 5.773 -1.458 -8.914 1.00 0.12 H new ATOM 0 HB3 LYS B 42 4.939 -2.980 -9.152 1.00 0.12 H new ATOM 0 HG2 LYS B 42 2.940 -2.117 -8.041 1.00 0.14 H new ATOM 0 HG3 LYS B 42 3.769 -0.630 -7.627 1.00 0.14 H new ATOM 0 HD2 LYS B 42 2.305 -0.379 -9.623 1.00 0.33 H new ATOM 0 HD3 LYS B 42 3.983 -0.015 -9.973 1.00 0.33 H new ATOM 0 HE2 LYS B 42 4.295 -2.295 -10.905 1.00 0.75 H new ATOM 0 HE3 LYS B 42 2.628 -2.684 -10.530 1.00 0.75 H new ATOM 0 HZ1 LYS B 42 2.883 -2.054 -12.838 1.00 0.55 H new ATOM 0 HZ2 LYS B 42 1.907 -0.922 -12.033 1.00 0.55 H new ATOM 0 HZ3 LYS B 42 3.522 -0.544 -12.396 1.00 0.55 H new ATOM 1599 N ILE B 43 3.731 -2.384 -5.583 1.00 0.09 N ATOM 1600 CA ILE B 43 2.532 -2.777 -4.863 1.00 0.08 C ATOM 1601 C ILE B 43 1.357 -1.947 -5.377 1.00 0.06 C ATOM 1602 O ILE B 43 1.535 -0.798 -5.775 1.00 0.07 O ATOM 1603 CB ILE B 43 2.702 -2.571 -3.337 1.00 0.09 C ATOM 1604 CG1 ILE B 43 3.767 -3.514 -2.767 1.00 0.15 C ATOM 1605 CG2 ILE B 43 1.386 -2.741 -2.597 1.00 0.10 C ATOM 1606 CD1 ILE B 43 3.356 -4.975 -2.744 1.00 0.22 C ATOM 0 H ILE B 43 3.982 -1.402 -5.468 1.00 0.09 H new ATOM 0 HA ILE B 43 2.346 -3.837 -5.034 1.00 0.08 H new ATOM 0 HB ILE B 43 3.037 -1.545 -3.187 1.00 0.09 H new ATOM 0 HG12 ILE B 43 4.678 -3.414 -3.357 1.00 0.15 H new ATOM 0 HG13 ILE B 43 4.008 -3.200 -1.751 1.00 0.15 H new ATOM 0 HG21 ILE B 43 1.546 -2.589 -1.530 1.00 0.10 H new ATOM 0 HG22 ILE B 43 0.665 -2.010 -2.963 1.00 0.10 H new ATOM 0 HG23 ILE B 43 1.001 -3.746 -2.766 1.00 0.10 H new ATOM 0 HD11 ILE B 43 4.165 -5.574 -2.327 1.00 0.22 H new ATOM 0 HD12 ILE B 43 2.463 -5.092 -2.129 1.00 0.22 H new ATOM 0 HD13 ILE B 43 3.144 -5.309 -3.760 1.00 0.22 H new ATOM 1618 N ILE B 44 0.181 -2.540 -5.394 1.00 0.07 N ATOM 1619 CA ILE B 44 -1.019 -1.885 -5.892 1.00 0.08 C ATOM 1620 C ILE B 44 -2.140 -2.022 -4.871 1.00 0.10 C ATOM 1621 O ILE B 44 -2.316 -3.089 -4.306 1.00 0.20 O ATOM 1622 CB ILE B 44 -1.470 -2.513 -7.228 1.00 0.11 C ATOM 1623 CG1 ILE B 44 -0.337 -2.437 -8.256 1.00 0.10 C ATOM 1624 CG2 ILE B 44 -2.724 -1.830 -7.746 1.00 0.16 C ATOM 1625 CD1 ILE B 44 -0.694 -3.016 -9.608 1.00 0.14 C ATOM 0 H ILE B 44 0.026 -3.492 -5.063 1.00 0.07 H new ATOM 0 HA ILE B 44 -0.792 -0.832 -6.056 1.00 0.08 H new ATOM 0 HB ILE B 44 -1.709 -3.563 -7.058 1.00 0.11 H new ATOM 0 HG12 ILE B 44 -0.045 -1.395 -8.384 1.00 0.10 H new ATOM 0 HG13 ILE B 44 0.532 -2.965 -7.864 1.00 0.10 H new ATOM 0 HG21 ILE B 44 -3.025 -2.288 -8.688 1.00 0.16 H new ATOM 0 HG22 ILE B 44 -3.526 -1.941 -7.016 1.00 0.16 H new ATOM 0 HG23 ILE B 44 -2.522 -0.771 -7.905 1.00 0.16 H new ATOM 0 HD11 ILE B 44 0.160 -2.925 -10.280 1.00 0.14 H new ATOM 0 HD12 ILE B 44 -0.956 -4.068 -9.496 1.00 0.14 H new ATOM 0 HD13 ILE B 44 -1.543 -2.473 -10.024 1.00 0.14 H new ATOM 1637 N LEU B 45 -2.892 -0.960 -4.624 1.00 0.08 N ATOM 1638 CA LEU B 45 -3.967 -1.016 -3.642 1.00 0.09 C ATOM 1639 C LEU B 45 -5.286 -0.579 -4.261 1.00 0.12 C ATOM 1640 O LEU B 45 -5.333 0.375 -5.041 1.00 0.19 O ATOM 1641 CB LEU B 45 -3.653 -0.149 -2.415 1.00 0.13 C ATOM 1642 CG LEU B 45 -2.813 -0.819 -1.318 1.00 0.16 C ATOM 1643 CD1 LEU B 45 -1.385 -1.051 -1.769 1.00 0.13 C ATOM 1644 CD2 LEU B 45 -2.825 0.013 -0.051 1.00 0.26 C ATOM 0 H LEU B 45 -2.781 -0.057 -5.084 1.00 0.08 H new ATOM 0 HA LEU B 45 -4.055 -2.052 -3.315 1.00 0.09 H new ATOM 0 HB2 LEU B 45 -3.129 0.746 -2.751 1.00 0.13 H new ATOM 0 HB3 LEU B 45 -4.595 0.179 -1.975 1.00 0.13 H new ATOM 0 HG LEU B 45 -3.265 -1.789 -1.113 1.00 0.16 H new ATOM 0 HD11 LEU B 45 -0.822 -1.527 -0.966 1.00 0.13 H new ATOM 0 HD12 LEU B 45 -1.381 -1.697 -2.647 1.00 0.13 H new ATOM 0 HD13 LEU B 45 -0.923 -0.096 -2.020 1.00 0.13 H new ATOM 0 HD21 LEU B 45 -2.224 -0.480 0.713 1.00 0.26 H new ATOM 0 HD22 LEU B 45 -2.410 0.999 -0.259 1.00 0.26 H new ATOM 0 HD23 LEU B 45 -3.850 0.119 0.305 1.00 0.26 H new ATOM 1656 N LYS B 46 -6.342 -1.299 -3.918 1.00 0.11 N ATOM 1657 CA LYS B 46 -7.684 -1.009 -4.405 1.00 0.19 C ATOM 1658 C LYS B 46 -8.714 -1.353 -3.334 1.00 0.19 C ATOM 1659 O LYS B 46 -8.645 -2.420 -2.731 1.00 0.34 O ATOM 1660 CB LYS B 46 -7.971 -1.830 -5.666 1.00 0.40 C ATOM 1661 CG LYS B 46 -9.404 -1.705 -6.167 1.00 0.92 C ATOM 1662 CD LYS B 46 -9.932 -3.035 -6.687 1.00 0.98 C ATOM 1663 CE LYS B 46 -9.903 -4.103 -5.602 1.00 0.88 C ATOM 1664 NZ LYS B 46 -10.420 -5.411 -6.081 1.00 1.20 N ATOM 0 H LYS B 46 -6.294 -2.103 -3.293 1.00 0.11 H new ATOM 0 HA LYS B 46 -7.749 0.053 -4.641 1.00 0.19 H new ATOM 0 HB2 LYS B 46 -7.291 -1.514 -6.457 1.00 0.40 H new ATOM 0 HB3 LYS B 46 -7.757 -2.879 -5.462 1.00 0.40 H new ATOM 0 HG2 LYS B 46 -10.043 -1.350 -5.359 1.00 0.92 H new ATOM 0 HG3 LYS B 46 -9.449 -0.959 -6.961 1.00 0.92 H new ATOM 0 HD2 LYS B 46 -10.953 -2.908 -7.048 1.00 0.98 H new ATOM 0 HD3 LYS B 46 -9.332 -3.360 -7.537 1.00 0.98 H new ATOM 0 HE2 LYS B 46 -8.880 -4.228 -5.246 1.00 0.88 H new ATOM 0 HE3 LYS B 46 -10.498 -3.770 -4.752 1.00 0.88 H new ATOM 0 HZ1 LYS B 46 -9.949 -6.181 -5.564 1.00 1.20 H new ATOM 0 HZ2 LYS B 46 -11.446 -5.460 -5.916 1.00 1.20 H new ATOM 0 HZ3 LYS B 46 -10.228 -5.509 -7.098 1.00 1.20 H new ATOM 1678 N LYS B 47 -9.658 -0.453 -3.093 1.00 0.16 N ATOM 1679 CA LYS B 47 -10.766 -0.738 -2.183 1.00 0.18 C ATOM 1680 C LYS B 47 -11.563 -1.918 -2.745 1.00 0.21 C ATOM 1681 O LYS B 47 -11.718 -2.035 -3.956 1.00 0.28 O ATOM 1682 CB LYS B 47 -11.647 0.512 -2.023 1.00 0.25 C ATOM 1683 CG LYS B 47 -12.534 0.541 -0.775 1.00 0.27 C ATOM 1684 CD LYS B 47 -13.739 -0.381 -0.882 1.00 0.32 C ATOM 1685 CE LYS B 47 -14.722 -0.165 0.257 1.00 0.42 C ATOM 1686 NZ LYS B 47 -15.210 1.240 0.307 1.00 0.76 N ATOM 0 H LYS B 47 -9.682 0.477 -3.511 1.00 0.16 H new ATOM 0 HA LYS B 47 -10.391 -1.003 -1.194 1.00 0.18 H new ATOM 0 HB2 LYS B 47 -11.001 1.390 -2.008 1.00 0.25 H new ATOM 0 HB3 LYS B 47 -12.285 0.600 -2.902 1.00 0.25 H new ATOM 0 HG2 LYS B 47 -11.940 0.255 0.093 1.00 0.27 H new ATOM 0 HG3 LYS B 47 -12.878 1.561 -0.604 1.00 0.27 H new ATOM 0 HD2 LYS B 47 -14.243 -0.211 -1.833 1.00 0.32 H new ATOM 0 HD3 LYS B 47 -13.404 -1.418 -0.880 1.00 0.32 H new ATOM 0 HE2 LYS B 47 -15.570 -0.840 0.139 1.00 0.42 H new ATOM 0 HE3 LYS B 47 -14.243 -0.417 1.203 1.00 0.42 H new ATOM 0 HZ1 LYS B 47 -15.838 1.360 1.127 1.00 0.76 H new ATOM 0 HZ2 LYS B 47 -14.400 1.886 0.394 1.00 0.76 H new ATOM 0 HZ3 LYS B 47 -15.733 1.457 -0.565 1.00 0.76 H new ATOM 1700 N TYR B 48 -12.073 -2.771 -1.865 1.00 0.20 N ATOM 1701 CA TYR B 48 -12.651 -4.053 -2.270 1.00 0.25 C ATOM 1702 C TYR B 48 -13.849 -3.862 -3.197 1.00 0.35 C ATOM 1703 O TYR B 48 -13.953 -4.499 -4.243 1.00 0.38 O ATOM 1704 CB TYR B 48 -13.091 -4.817 -1.023 1.00 0.33 C ATOM 1705 CG TYR B 48 -13.486 -6.256 -1.281 1.00 0.41 C ATOM 1706 CD1 TYR B 48 -12.520 -7.245 -1.418 1.00 1.30 C ATOM 1707 CD2 TYR B 48 -14.823 -6.626 -1.372 1.00 1.05 C ATOM 1708 CE1 TYR B 48 -12.874 -8.562 -1.645 1.00 1.37 C ATOM 1709 CE2 TYR B 48 -15.183 -7.939 -1.600 1.00 1.08 C ATOM 1710 CZ TYR B 48 -14.208 -8.902 -1.734 1.00 0.63 C ATOM 1711 OH TYR B 48 -14.570 -10.212 -1.959 1.00 0.76 O ATOM 0 H TYR B 48 -12.099 -2.599 -0.860 1.00 0.20 H new ATOM 0 HA TYR B 48 -11.892 -4.614 -2.815 1.00 0.25 H new ATOM 0 HB2 TYR B 48 -12.279 -4.800 -0.296 1.00 0.33 H new ATOM 0 HB3 TYR B 48 -13.935 -4.296 -0.571 1.00 0.33 H new ATOM 0 HD1 TYR B 48 -11.475 -6.981 -1.346 1.00 1.30 H new ATOM 0 HD2 TYR B 48 -15.591 -5.875 -1.263 1.00 1.05 H new ATOM 0 HE1 TYR B 48 -12.112 -9.319 -1.752 1.00 1.37 H new ATOM 0 HE2 TYR B 48 -16.226 -8.210 -1.673 1.00 1.08 H new ATOM 0 HH TYR B 48 -15.547 -10.280 -1.993 1.00 0.76 H new ATOM 1721 N LYS B 49 -14.748 -2.987 -2.784 1.00 0.47 N ATOM 1722 CA LYS B 49 -16.002 -2.759 -3.496 1.00 0.65 C ATOM 1723 C LYS B 49 -15.796 -2.178 -4.913 1.00 0.73 C ATOM 1724 O LYS B 49 -16.237 -2.793 -5.885 1.00 0.85 O ATOM 1725 CB LYS B 49 -16.916 -1.869 -2.653 1.00 0.75 C ATOM 1726 CG LYS B 49 -18.362 -1.875 -3.113 1.00 1.04 C ATOM 1727 CD LYS B 49 -19.269 -1.185 -2.110 1.00 1.62 C ATOM 1728 CE LYS B 49 -20.727 -1.284 -2.523 1.00 2.34 C ATOM 1729 NZ LYS B 49 -21.123 -2.683 -2.828 1.00 3.00 N ATOM 0 H LYS B 49 -14.634 -2.413 -1.948 1.00 0.47 H new ATOM 0 HA LYS B 49 -16.479 -3.728 -3.643 1.00 0.65 H new ATOM 0 HB2 LYS B 49 -16.872 -2.198 -1.615 1.00 0.75 H new ATOM 0 HB3 LYS B 49 -16.539 -0.847 -2.680 1.00 0.75 H new ATOM 0 HG2 LYS B 49 -18.440 -1.375 -4.079 1.00 1.04 H new ATOM 0 HG3 LYS B 49 -18.694 -2.903 -3.258 1.00 1.04 H new ATOM 0 HD2 LYS B 49 -19.136 -1.636 -1.127 1.00 1.62 H new ATOM 0 HD3 LYS B 49 -18.985 -0.137 -2.021 1.00 1.62 H new ATOM 0 HE2 LYS B 49 -21.358 -0.894 -1.724 1.00 2.34 H new ATOM 0 HE3 LYS B 49 -20.899 -0.659 -3.399 1.00 2.34 H new ATOM 0 HZ1 LYS B 49 -22.127 -2.819 -2.594 1.00 3.00 H new ATOM 0 HZ2 LYS B 49 -20.975 -2.873 -3.840 1.00 3.00 H new ATOM 0 HZ3 LYS B 49 -20.545 -3.338 -2.264 1.00 3.00 H new ATOM 1743 N PRO B 50 -15.140 -0.996 -5.070 1.00 0.72 N ATOM 1744 CA PRO B 50 -14.907 -0.401 -6.397 1.00 0.88 C ATOM 1745 C PRO B 50 -14.108 -1.322 -7.312 1.00 0.96 C ATOM 1746 O PRO B 50 -13.172 -1.988 -6.866 1.00 1.49 O ATOM 1747 CB PRO B 50 -14.104 0.870 -6.098 1.00 0.94 C ATOM 1748 CG PRO B 50 -14.401 1.178 -4.676 1.00 0.92 C ATOM 1749 CD PRO B 50 -14.581 -0.149 -4.005 1.00 0.62 C ATOM 0 HA PRO B 50 -15.845 -0.212 -6.920 1.00 0.88 H new ATOM 0 HB2 PRO B 50 -13.037 0.710 -6.254 1.00 0.94 H new ATOM 0 HB3 PRO B 50 -14.402 1.690 -6.751 1.00 0.94 H new ATOM 0 HG2 PRO B 50 -13.587 1.741 -4.219 1.00 0.92 H new ATOM 0 HG3 PRO B 50 -15.300 1.788 -4.587 1.00 0.92 H new ATOM 0 HD2 PRO B 50 -13.635 -0.543 -3.633 1.00 0.62 H new ATOM 0 HD3 PRO B 50 -15.255 -0.080 -3.151 1.00 0.62 H new ATOM 1757 N HIS B 51 -14.494 -1.350 -8.591 1.00 1.41 N ATOM 1758 CA HIS B 51 -13.885 -2.221 -9.607 1.00 1.55 C ATOM 1759 C HIS B 51 -14.334 -3.670 -9.433 1.00 1.83 C ATOM 1760 O HIS B 51 -14.517 -4.394 -10.412 1.00 2.39 O ATOM 1761 CB HIS B 51 -12.350 -2.134 -9.600 1.00 2.03 C ATOM 1762 CG HIS B 51 -11.816 -0.822 -10.084 1.00 2.93 C ATOM 1763 ND1 HIS B 51 -11.565 -0.378 -11.338 1.00 3.73 N flip ATOM 1764 CD2 HIS B 51 -11.457 0.207 -9.239 1.00 3.63 C flip ATOM 1765 CE1 HIS B 51 -11.070 0.895 -11.227 1.00 4.57 C flip ATOM 1766 NE2 HIS B 51 -11.015 1.226 -9.954 1.00 4.53 N flip ATOM 0 H HIS B 51 -15.245 -0.764 -8.956 1.00 1.41 H new ATOM 0 HA HIS B 51 -14.232 -1.862 -10.576 1.00 1.55 H new ATOM 0 HB2 HIS B 51 -11.990 -2.310 -8.586 1.00 2.03 H new ATOM 0 HB3 HIS B 51 -11.948 -2.932 -10.224 1.00 2.03 H new ATOM 0 HD1 HIS B 51 -11.716 -0.895 -12.204 1.00 3.73 H new ATOM 0 HD2 HIS B 51 -11.526 0.183 -8.161 1.00 3.63 H new ATOM 0 HE1 HIS B 51 -10.773 1.526 -12.052 1.00 4.57 H new ATOM 1775 N GLY B 52 -14.511 -4.089 -8.190 1.00 2.12 N ATOM 1776 CA GLY B 52 -14.999 -5.420 -7.918 1.00 2.80 C ATOM 1777 C GLY B 52 -13.972 -6.282 -7.220 1.00 2.86 C ATOM 1778 O GLY B 52 -13.002 -5.773 -6.653 1.00 3.07 O ATOM 0 H GLY B 52 -14.323 -3.525 -7.361 1.00 2.12 H new ATOM 0 HA2 GLY B 52 -15.895 -5.356 -7.300 1.00 2.80 H new ATOM 0 HA3 GLY B 52 -15.291 -5.895 -8.855 1.00 2.80 H new ATOM 1782 N VAL B 53 -14.187 -7.587 -7.269 1.00 3.08 N ATOM 1783 CA VAL B 53 -13.289 -8.554 -6.651 1.00 3.27 C ATOM 1784 C VAL B 53 -11.910 -8.517 -7.311 1.00 2.62 C ATOM 1785 O VAL B 53 -11.734 -7.906 -8.369 1.00 2.40 O ATOM 1786 CB VAL B 53 -13.896 -9.978 -6.726 1.00 4.11 C ATOM 1787 CG1 VAL B 53 -13.866 -10.509 -8.149 1.00 4.23 C ATOM 1788 CG2 VAL B 53 -13.200 -10.935 -5.767 1.00 4.58 C ATOM 0 H VAL B 53 -14.989 -8.008 -7.738 1.00 3.08 H new ATOM 0 HA VAL B 53 -13.166 -8.286 -5.602 1.00 3.27 H new ATOM 0 HB VAL B 53 -14.938 -9.907 -6.415 1.00 4.11 H new ATOM 0 HG11 VAL B 53 -14.298 -11.510 -8.173 1.00 4.23 H new ATOM 0 HG12 VAL B 53 -14.444 -9.849 -8.796 1.00 4.23 H new ATOM 0 HG13 VAL B 53 -12.835 -10.550 -8.500 1.00 4.23 H new ATOM 0 HG21 VAL B 53 -13.652 -11.923 -5.847 1.00 4.58 H new ATOM 0 HG22 VAL B 53 -12.142 -10.998 -6.020 1.00 4.58 H new ATOM 0 HG23 VAL B 53 -13.307 -10.569 -4.746 1.00 4.58 H new ATOM 1798 N CYS B 54 -10.947 -9.131 -6.635 1.00 2.56 N ATOM 1799 CA CYS B 54 -9.566 -9.232 -7.098 1.00 1.99 C ATOM 1800 C CYS B 54 -9.467 -9.445 -8.611 1.00 2.09 C ATOM 1801 O CYS B 54 -10.005 -10.447 -9.120 1.00 2.54 O ATOM 1802 CB CYS B 54 -8.857 -10.364 -6.345 1.00 2.24 C ATOM 1803 SG CYS B 54 -9.700 -11.965 -6.421 1.00 3.21 S ATOM 1804 OXT CYS B 54 -8.825 -8.611 -9.284 1.00 2.48 O ATOM 0 H CYS B 54 -11.105 -9.581 -5.733 1.00 2.56 H new ATOM 0 HA CYS B 54 -9.074 -8.283 -6.887 1.00 1.99 H new ATOM 0 HB2 CYS B 54 -7.852 -10.478 -6.750 1.00 2.24 H new ATOM 0 HB3 CYS B 54 -8.748 -10.075 -5.300 1.00 2.24 H new ATOM 0 HG CYS B 54 -10.245 -12.113 -7.592 1.00 3.21 H new TER 1810 CYS B 54