USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 818 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 36 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 87 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 69 SER OG : rot -175:sc= 1.2 USER MOD Set 2.2: A 76 GLN : amide:sc= 0.388 K(o=1.6,f=-2.5) USER MOD Set 3.1: A 41 GLN : amide:sc= 0.767 K(o=1.6,f=-3.1) USER MOD Set 3.2: A 44 LYS NZ :NH3+ 160:sc= 0.864 (180deg=0) USER MOD Set 4.1: A 24 MET CE :methyl -179:sc= -0.209 (180deg=-0.209) USER MOD Set 4.2: A 52 SER OG : rot 7:sc= 0.485 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.032 USER MOD Single : A 10 THR OG1 : rot 70:sc= 1.22 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -72:sc= 1.08 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.0457 X(o=-0.046,f=-0.046) USER MOD Single : A 19 LYS NZ :NH3+ -179:sc= 1.94 (180deg=1.94) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.161 USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= 1.24 (180deg=0.967) USER MOD Single : A 32 GLN : amide:sc= 2.18 K(o=2.2,f=-0.071) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc=0.000113 USER MOD Single : A 45 SER OG : rot 97:sc= 1.27 USER MOD Single : A 47 ASN : amide:sc= -0.0332 K(o=-0.033,f=-1) USER MOD Single : A 54 ASN : amide:sc= 0.998 K(o=1,f=-3.7) USER MOD Single : A 58 ASN : amide:sc= 0.514 K(o=0.51,f=-3.5!) USER MOD Single : A 63 GLN : amide:sc= 0.474 X(o=0.47,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 15:sc= 0 USER MOD Single : A 70 SER OG : rot -56:sc= 1.25 USER MOD Single : A 73 THR OG1 : rot 46:sc= 0.377 USER MOD Single : A 78 TYR OH : rot -164:sc= 0.00202 USER MOD Single : A 90 THR OG1 : rot -45:sc= 0.31 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 159:sc= 1.18 (180deg=0.829) USER MOD Single : A 96 SER OG : rot -87:sc= 1.29 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 GLN : amide:sc= 0.698 K(o=0.7,f=-0.017) USER MOD Single : A 105 LYS NZ :NH3+ 170:sc= 1.14 (180deg=1.07) USER MOD Single : A 107 MET CE :methyl -178:sc= 0 (180deg=-0.00595) USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -15:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 77 N ALA A 6 -5.009 9.973 -8.549 1.00 0.00 N ATOM 78 CA ALA A 6 -4.657 11.291 -9.094 1.00 0.00 C ATOM 79 C ALA A 6 -3.845 12.198 -8.142 1.00 0.00 C ATOM 80 O ALA A 6 -3.406 13.275 -8.550 1.00 0.00 O ATOM 81 CB ALA A 6 -5.959 11.968 -9.549 1.00 0.00 C ATOM 0 HA ALA A 6 -3.977 11.133 -9.931 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.733 12.952 -9.960 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.439 11.357 -10.313 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.630 12.076 -8.697 1.00 0.00 H new ATOM 87 N LEU A 7 -3.599 11.770 -6.896 1.00 0.00 N ATOM 88 CA LEU A 7 -2.674 12.422 -5.962 1.00 0.00 C ATOM 89 C LEU A 7 -1.282 12.541 -6.588 1.00 0.00 C ATOM 90 O LEU A 7 -0.740 13.640 -6.663 1.00 0.00 O ATOM 91 CB LEU A 7 -2.688 11.631 -4.636 1.00 0.00 C ATOM 92 CG LEU A 7 -1.806 12.218 -3.509 1.00 0.00 C ATOM 93 CD1 LEU A 7 -2.406 11.837 -2.150 1.00 0.00 C ATOM 94 CD2 LEU A 7 -0.356 11.702 -3.556 1.00 0.00 C ATOM 0 H LEU A 7 -4.048 10.943 -6.502 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.987 13.443 -5.745 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.716 11.572 -4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.361 10.611 -4.837 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.784 13.298 -3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.788 12.248 -1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.416 12.240 -2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.441 10.751 -2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.215 12.148 -2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.352 10.617 -3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.097 11.975 -4.509 1.00 0.00 H new ATOM 106 N LYS A 8 -0.731 11.443 -7.117 1.00 0.00 N ATOM 107 CA LYS A 8 0.593 11.452 -7.757 1.00 0.00 C ATOM 108 C LYS A 8 0.635 12.407 -8.963 1.00 0.00 C ATOM 109 O LYS A 8 1.563 13.205 -9.084 1.00 0.00 O ATOM 110 CB LYS A 8 0.976 10.014 -8.153 1.00 0.00 C ATOM 111 CG LYS A 8 2.492 9.917 -8.392 1.00 0.00 C ATOM 112 CD LYS A 8 2.900 8.596 -9.057 1.00 0.00 C ATOM 113 CE LYS A 8 4.424 8.567 -9.255 1.00 0.00 C ATOM 114 NZ LYS A 8 4.865 7.332 -9.962 1.00 0.00 N ATOM 0 H LYS A 8 -1.184 10.529 -7.115 1.00 0.00 H new ATOM 0 HA LYS A 8 1.327 11.828 -7.045 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.679 9.321 -7.366 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.438 9.722 -9.055 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.811 10.749 -9.019 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.013 10.017 -7.440 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.587 7.754 -8.439 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.396 8.490 -10.018 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.733 9.443 -9.825 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.918 8.627 -8.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.898 7.348 -10.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.592 6.497 -9.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.413 7.287 -10.898 1.00 0.00 H new ATOM 128 N THR A 9 -0.411 12.382 -9.799 1.00 0.00 N ATOM 129 CA THR A 9 -0.630 13.270 -10.950 1.00 0.00 C ATOM 130 C THR A 9 -0.703 14.743 -10.542 1.00 0.00 C ATOM 131 O THR A 9 -0.166 15.590 -11.244 1.00 0.00 O ATOM 132 CB THR A 9 -1.904 12.844 -11.679 1.00 0.00 C ATOM 133 OG1 THR A 9 -1.993 11.435 -11.717 1.00 0.00 O ATOM 134 CG2 THR A 9 -1.899 13.343 -13.117 1.00 0.00 C ATOM 0 H THR A 9 -1.167 11.707 -9.686 1.00 0.00 H new ATOM 0 HA THR A 9 0.226 13.177 -11.619 1.00 0.00 H new ATOM 0 HB THR A 9 -2.749 13.271 -11.139 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.813 11.172 -12.184 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.816 13.027 -13.615 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.838 14.431 -13.124 1.00 0.00 H new ATOM 0 HG23 THR A 9 -1.039 12.928 -13.643 1.00 0.00 H new ATOM 142 N THR A 10 -1.317 15.047 -9.391 1.00 0.00 N ATOM 143 CA THR A 10 -1.406 16.408 -8.828 1.00 0.00 C ATOM 144 C THR A 10 -0.028 16.898 -8.394 1.00 0.00 C ATOM 145 O THR A 10 0.381 17.990 -8.794 1.00 0.00 O ATOM 146 CB THR A 10 -2.411 16.454 -7.665 1.00 0.00 C ATOM 147 OG1 THR A 10 -3.665 15.997 -8.123 1.00 0.00 O ATOM 148 CG2 THR A 10 -2.605 17.875 -7.132 1.00 0.00 C ATOM 0 H THR A 10 -1.775 14.344 -8.812 1.00 0.00 H new ATOM 0 HA THR A 10 -1.771 17.081 -9.604 1.00 0.00 H new ATOM 0 HB THR A 10 -2.016 15.827 -6.866 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.616 15.035 -8.305 1.00 0.00 H new ATOM 0 HG21 THR A 10 -3.323 17.861 -6.312 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.651 18.262 -6.773 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.979 18.515 -7.931 1.00 0.00 H new ATOM 156 N LEU A 11 0.714 16.084 -7.629 1.00 0.00 N ATOM 157 CA LEU A 11 2.093 16.398 -7.233 1.00 0.00 C ATOM 158 C LEU A 11 2.981 16.612 -8.462 1.00 0.00 C ATOM 159 O LEU A 11 3.673 17.625 -8.532 1.00 0.00 O ATOM 160 CB LEU A 11 2.663 15.297 -6.314 1.00 0.00 C ATOM 161 CG LEU A 11 1.940 15.093 -4.965 1.00 0.00 C ATOM 162 CD1 LEU A 11 2.702 14.048 -4.137 1.00 0.00 C ATOM 163 CD2 LEU A 11 1.791 16.399 -4.169 1.00 0.00 C ATOM 0 H LEU A 11 0.375 15.192 -7.269 1.00 0.00 H new ATOM 0 HA LEU A 11 2.081 17.330 -6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.645 14.353 -6.859 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.709 15.528 -6.111 1.00 0.00 H new ATOM 0 HG LEU A 11 0.930 14.742 -5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.196 13.900 -3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.733 13.104 -4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.719 14.397 -3.958 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.276 16.196 -3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.778 16.812 -3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.214 17.117 -4.752 1.00 0.00 H new ATOM 175 N ASP A 12 2.910 15.736 -9.463 1.00 0.00 N ATOM 176 CA ASP A 12 3.649 15.863 -10.722 1.00 0.00 C ATOM 177 C ASP A 12 3.305 17.161 -11.470 1.00 0.00 C ATOM 178 O ASP A 12 4.210 17.887 -11.875 1.00 0.00 O ATOM 179 CB ASP A 12 3.387 14.630 -11.594 1.00 0.00 C ATOM 180 CG ASP A 12 4.185 14.690 -12.903 1.00 0.00 C ATOM 181 OD1 ASP A 12 5.408 14.416 -12.872 1.00 0.00 O ATOM 182 OD2 ASP A 12 3.585 14.994 -13.961 1.00 0.00 O ATOM 0 H ASP A 12 2.326 14.901 -9.423 1.00 0.00 H new ATOM 0 HA ASP A 12 4.713 15.918 -10.490 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.656 13.729 -11.043 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.323 14.560 -11.818 1.00 0.00 H new ATOM 187 N LYS A 13 2.020 17.517 -11.591 1.00 0.00 N ATOM 188 CA LYS A 13 1.582 18.795 -12.175 1.00 0.00 C ATOM 189 C LYS A 13 2.118 19.998 -11.382 1.00 0.00 C ATOM 190 O LYS A 13 2.691 20.906 -11.981 1.00 0.00 O ATOM 191 CB LYS A 13 0.045 18.812 -12.286 1.00 0.00 C ATOM 192 CG LYS A 13 -0.444 17.988 -13.490 1.00 0.00 C ATOM 193 CD LYS A 13 -1.976 17.881 -13.495 1.00 0.00 C ATOM 194 CE LYS A 13 -2.503 17.068 -14.691 1.00 0.00 C ATOM 195 NZ LYS A 13 -2.368 17.787 -15.988 1.00 0.00 N ATOM 0 H LYS A 13 1.249 16.924 -11.285 1.00 0.00 H new ATOM 0 HA LYS A 13 2.001 18.884 -13.177 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.391 18.413 -11.370 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.302 19.841 -12.383 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.105 18.453 -14.416 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.006 16.991 -13.455 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.308 17.415 -12.567 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.407 18.882 -13.521 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.962 16.123 -14.748 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.552 16.825 -14.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.739 17.191 -16.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.906 18.676 -15.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.365 17.996 -16.166 1.00 0.00 H new ATOM 209 N VAL A 14 2.046 19.979 -10.047 1.00 0.00 N ATOM 210 CA VAL A 14 2.648 21.033 -9.199 1.00 0.00 C ATOM 211 C VAL A 14 4.173 21.106 -9.402 1.00 0.00 C ATOM 212 O VAL A 14 4.704 22.188 -9.651 1.00 0.00 O ATOM 213 CB VAL A 14 2.261 20.878 -7.714 1.00 0.00 C ATOM 214 CG1 VAL A 14 3.048 21.812 -6.777 1.00 0.00 C ATOM 215 CG2 VAL A 14 0.759 21.144 -7.503 1.00 0.00 C ATOM 0 H VAL A 14 1.575 19.243 -9.520 1.00 0.00 H new ATOM 0 HA VAL A 14 2.233 21.988 -9.521 1.00 0.00 H new ATOM 0 HB VAL A 14 2.511 19.848 -7.460 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.726 21.651 -5.748 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.114 21.599 -6.861 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.862 22.849 -7.057 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.514 21.028 -6.447 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.521 22.159 -7.821 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.178 20.434 -8.091 1.00 0.00 H new ATOM 225 N VAL A 15 4.869 19.963 -9.376 1.00 0.00 N ATOM 226 CA VAL A 15 6.331 19.859 -9.540 1.00 0.00 C ATOM 227 C VAL A 15 6.816 20.317 -10.920 1.00 0.00 C ATOM 228 O VAL A 15 7.877 20.930 -10.997 1.00 0.00 O ATOM 229 CB VAL A 15 6.802 18.427 -9.218 1.00 0.00 C ATOM 230 CG1 VAL A 15 8.189 18.062 -9.761 1.00 0.00 C ATOM 231 CG2 VAL A 15 6.805 18.193 -7.696 1.00 0.00 C ATOM 0 H VAL A 15 4.421 19.057 -9.237 1.00 0.00 H new ATOM 0 HA VAL A 15 6.785 20.547 -8.827 1.00 0.00 H new ATOM 0 HB VAL A 15 6.084 17.783 -9.726 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.430 17.036 -9.483 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.190 18.153 -10.847 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.934 18.737 -9.339 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.140 17.177 -7.485 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.480 18.904 -7.220 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.797 18.332 -7.305 1.00 0.00 H new ATOM 241 N THR A 16 6.064 20.055 -11.996 1.00 0.00 N ATOM 242 CA THR A 16 6.431 20.444 -13.372 1.00 0.00 C ATOM 243 C THR A 16 6.031 21.879 -13.711 1.00 0.00 C ATOM 244 O THR A 16 6.778 22.565 -14.401 1.00 0.00 O ATOM 245 CB THR A 16 5.867 19.461 -14.409 1.00 0.00 C ATOM 246 OG1 THR A 16 4.490 19.256 -14.207 1.00 0.00 O ATOM 247 CG2 THR A 16 6.572 18.105 -14.332 1.00 0.00 C ATOM 0 H THR A 16 5.173 19.562 -11.940 1.00 0.00 H new ATOM 0 HA THR A 16 7.519 20.400 -13.416 1.00 0.00 H new ATOM 0 HB THR A 16 6.038 19.904 -15.390 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.354 18.721 -13.397 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.150 17.432 -15.079 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.637 18.237 -14.524 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.432 17.678 -13.339 1.00 0.00 H new ATOM 255 N SER A 17 4.897 22.365 -13.202 1.00 0.00 N ATOM 256 CA SER A 17 4.425 23.733 -13.473 1.00 0.00 C ATOM 257 C SER A 17 5.209 24.805 -12.683 1.00 0.00 C ATOM 258 O SER A 17 5.585 25.836 -13.242 1.00 0.00 O ATOM 259 CB SER A 17 2.922 23.819 -13.165 1.00 0.00 C ATOM 260 OG SER A 17 2.373 25.055 -13.592 1.00 0.00 O ATOM 0 H SER A 17 4.280 21.828 -12.593 1.00 0.00 H new ATOM 0 HA SER A 17 4.602 23.944 -14.528 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.401 22.999 -13.659 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.762 23.700 -12.093 1.00 0.00 H new ATOM 0 HG SER A 17 1.416 25.077 -13.383 1.00 0.00 H new ATOM 266 N HIS A 18 5.501 24.560 -11.399 1.00 0.00 N ATOM 267 CA HIS A 18 6.197 25.520 -10.520 1.00 0.00 C ATOM 268 C HIS A 18 7.693 25.204 -10.307 1.00 0.00 C ATOM 269 O HIS A 18 8.405 25.971 -9.656 1.00 0.00 O ATOM 270 CB HIS A 18 5.452 25.561 -9.177 1.00 0.00 C ATOM 271 CG HIS A 18 4.023 26.038 -9.297 1.00 0.00 C ATOM 272 ND1 HIS A 18 3.592 27.341 -9.190 1.00 0.00 N ATOM 273 CD2 HIS A 18 2.912 25.263 -9.510 1.00 0.00 C ATOM 274 CE1 HIS A 18 2.254 27.348 -9.335 1.00 0.00 C ATOM 275 NE2 HIS A 18 1.788 26.100 -9.538 1.00 0.00 N ATOM 0 H HIS A 18 5.261 23.685 -10.934 1.00 0.00 H new ATOM 0 HA HIS A 18 6.182 26.494 -11.010 1.00 0.00 H new ATOM 0 HB2 HIS A 18 5.459 24.564 -8.736 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.990 26.216 -8.492 1.00 0.00 H new ATOM 0 HD2 HIS A 18 2.904 24.190 -9.635 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.637 28.234 -9.294 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.817 25.822 -9.682 1.00 0.00 H new ATOM 283 N LYS A 19 8.178 24.059 -10.806 1.00 0.00 N ATOM 284 CA LYS A 19 9.561 23.549 -10.721 1.00 0.00 C ATOM 285 C LYS A 19 10.046 23.251 -9.292 1.00 0.00 C ATOM 286 O LYS A 19 10.396 22.112 -9.012 1.00 0.00 O ATOM 287 CB LYS A 19 10.528 24.439 -11.531 1.00 0.00 C ATOM 288 CG LYS A 19 10.301 24.202 -13.032 1.00 0.00 C ATOM 289 CD LYS A 19 11.242 25.045 -13.899 1.00 0.00 C ATOM 290 CE LYS A 19 11.142 24.648 -15.382 1.00 0.00 C ATOM 291 NZ LYS A 19 11.842 23.367 -15.679 1.00 0.00 N ATOM 0 H LYS A 19 7.574 23.416 -11.317 1.00 0.00 H new ATOM 0 HA LYS A 19 9.554 22.565 -11.190 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.364 25.489 -11.288 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.560 24.208 -11.267 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.450 23.146 -13.258 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.267 24.439 -13.284 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.996 26.101 -13.786 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.268 24.918 -13.555 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.092 24.557 -15.660 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.567 25.441 -15.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.759 23.153 -16.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.847 23.453 -15.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.409 22.599 -15.127 1.00 0.00 H new ATOM 305 N VAL A 20 10.073 24.230 -8.390 1.00 0.00 N ATOM 306 CA VAL A 20 10.604 24.114 -7.013 1.00 0.00 C ATOM 307 C VAL A 20 9.452 23.905 -6.025 1.00 0.00 C ATOM 308 O VAL A 20 8.533 24.720 -5.992 1.00 0.00 O ATOM 309 CB VAL A 20 11.421 25.375 -6.648 1.00 0.00 C ATOM 310 CG1 VAL A 20 11.878 25.380 -5.185 1.00 0.00 C ATOM 311 CG2 VAL A 20 12.666 25.507 -7.542 1.00 0.00 C ATOM 0 H VAL A 20 9.716 25.163 -8.595 1.00 0.00 H new ATOM 0 HA VAL A 20 11.267 23.251 -6.957 1.00 0.00 H new ATOM 0 HB VAL A 20 10.749 26.218 -6.807 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.447 26.288 -4.985 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.006 25.346 -4.531 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.506 24.509 -4.997 1.00 0.00 H new ATOM 0 HG21 VAL A 20 13.221 26.402 -7.263 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.301 24.631 -7.412 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.359 25.581 -8.585 1.00 0.00 H new ATOM 321 N VAL A 21 9.498 22.839 -5.214 1.00 0.00 N ATOM 322 CA VAL A 21 8.406 22.492 -4.281 1.00 0.00 C ATOM 323 C VAL A 21 8.955 21.999 -2.937 1.00 0.00 C ATOM 324 O VAL A 21 9.797 21.105 -2.906 1.00 0.00 O ATOM 325 CB VAL A 21 7.479 21.404 -4.882 1.00 0.00 C ATOM 326 CG1 VAL A 21 6.196 21.257 -4.046 1.00 0.00 C ATOM 327 CG2 VAL A 21 7.082 21.699 -6.341 1.00 0.00 C ATOM 0 H VAL A 21 10.287 22.193 -5.183 1.00 0.00 H new ATOM 0 HA VAL A 21 7.830 23.402 -4.117 1.00 0.00 H new ATOM 0 HB VAL A 21 8.053 20.477 -4.863 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.561 20.488 -4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.457 20.972 -3.027 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.660 22.206 -4.032 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.433 20.904 -6.709 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.553 22.651 -6.389 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.979 21.751 -6.959 1.00 0.00 H new ATOM 337 N LEU A 22 8.457 22.545 -1.822 1.00 0.00 N ATOM 338 CA LEU A 22 8.777 22.095 -0.456 1.00 0.00 C ATOM 339 C LEU A 22 7.664 21.174 0.079 1.00 0.00 C ATOM 340 O LEU A 22 6.480 21.450 -0.110 1.00 0.00 O ATOM 341 CB LEU A 22 8.979 23.361 0.416 1.00 0.00 C ATOM 342 CG LEU A 22 9.958 23.291 1.608 1.00 0.00 C ATOM 343 CD1 LEU A 22 9.555 22.280 2.690 1.00 0.00 C ATOM 344 CD2 LEU A 22 11.394 23.009 1.150 1.00 0.00 C ATOM 0 H LEU A 22 7.806 23.330 -1.841 1.00 0.00 H new ATOM 0 HA LEU A 22 9.692 21.503 -0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.314 24.164 -0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.004 23.653 0.806 1.00 0.00 H new ATOM 0 HG LEU A 22 9.909 24.281 2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.293 22.291 3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.578 22.548 3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.507 21.282 2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.051 22.968 2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.427 22.055 0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.725 23.804 0.482 1.00 0.00 H new ATOM 356 N PHE A 23 8.023 20.098 0.779 1.00 0.00 N ATOM 357 CA PHE A 23 7.083 19.214 1.475 1.00 0.00 C ATOM 358 C PHE A 23 7.393 19.218 2.977 1.00 0.00 C ATOM 359 O PHE A 23 8.507 18.905 3.389 1.00 0.00 O ATOM 360 CB PHE A 23 7.178 17.795 0.897 1.00 0.00 C ATOM 361 CG PHE A 23 6.621 17.631 -0.509 1.00 0.00 C ATOM 362 CD1 PHE A 23 7.339 18.094 -1.629 1.00 0.00 C ATOM 363 CD2 PHE A 23 5.386 16.983 -0.700 1.00 0.00 C ATOM 364 CE1 PHE A 23 6.837 17.893 -2.927 1.00 0.00 C ATOM 365 CE2 PHE A 23 4.886 16.776 -1.995 1.00 0.00 C ATOM 366 CZ PHE A 23 5.612 17.229 -3.112 1.00 0.00 C ATOM 0 H PHE A 23 8.996 19.809 0.881 1.00 0.00 H new ATOM 0 HA PHE A 23 6.064 19.573 1.331 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.225 17.490 0.894 1.00 0.00 H new ATOM 0 HB3 PHE A 23 6.649 17.113 1.562 1.00 0.00 H new ATOM 0 HD1 PHE A 23 8.280 18.606 -1.490 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.820 16.643 0.155 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.393 18.249 -3.782 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.943 16.268 -2.134 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.229 17.067 -4.109 1.00 0.00 H new ATOM 376 N MET A 24 6.395 19.568 3.795 1.00 0.00 N ATOM 377 CA MET A 24 6.494 19.741 5.256 1.00 0.00 C ATOM 378 C MET A 24 5.104 19.637 5.887 1.00 0.00 C ATOM 379 O MET A 24 4.120 19.496 5.173 1.00 0.00 O ATOM 380 CB MET A 24 7.185 21.088 5.571 1.00 0.00 C ATOM 381 CG MET A 24 6.448 22.307 5.000 1.00 0.00 C ATOM 382 SD MET A 24 7.263 23.872 5.391 1.00 0.00 S ATOM 383 CE MET A 24 6.395 24.906 4.195 1.00 0.00 C ATOM 0 H MET A 24 5.453 19.747 3.446 1.00 0.00 H new ATOM 0 HA MET A 24 7.105 18.949 5.689 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.269 21.199 6.652 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.199 21.068 5.172 1.00 0.00 H new ATOM 0 HG2 MET A 24 6.371 22.204 3.918 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.431 22.326 5.391 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.768 25.928 4.259 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.565 24.520 3.190 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.327 24.895 4.412 1.00 0.00 H new ATOM 393 N LYS A 25 4.960 19.754 7.208 1.00 0.00 N ATOM 394 CA LYS A 25 3.650 19.744 7.899 1.00 0.00 C ATOM 395 C LYS A 25 2.872 21.088 7.802 1.00 0.00 C ATOM 396 O LYS A 25 2.214 21.522 8.750 1.00 0.00 O ATOM 397 CB LYS A 25 3.843 19.202 9.330 1.00 0.00 C ATOM 398 CG LYS A 25 4.701 20.085 10.254 1.00 0.00 C ATOM 399 CD LYS A 25 4.794 19.474 11.656 1.00 0.00 C ATOM 400 CE LYS A 25 5.599 20.401 12.582 1.00 0.00 C ATOM 401 NZ LYS A 25 5.719 19.840 13.955 1.00 0.00 N ATOM 0 H LYS A 25 5.751 19.860 7.843 1.00 0.00 H new ATOM 0 HA LYS A 25 2.980 19.062 7.375 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.862 19.071 9.787 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.301 18.215 9.269 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.700 20.196 9.834 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.268 21.084 10.315 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.794 19.320 12.062 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.271 18.495 11.604 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.594 20.557 12.165 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.116 21.377 12.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.268 20.493 14.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.771 19.714 14.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.202 18.920 13.913 1.00 0.00 H new ATOM 415 N GLY A 26 2.993 21.779 6.660 1.00 0.00 N ATOM 416 CA GLY A 26 2.400 23.097 6.382 1.00 0.00 C ATOM 417 C GLY A 26 2.398 23.472 4.898 1.00 0.00 C ATOM 418 O GLY A 26 3.127 22.876 4.104 1.00 0.00 O ATOM 0 H GLY A 26 3.530 21.420 5.870 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.375 23.109 6.752 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.949 23.857 6.939 1.00 0.00 H new ATOM 422 N THR A 27 1.556 24.445 4.534 1.00 0.00 N ATOM 423 CA THR A 27 1.326 24.920 3.154 1.00 0.00 C ATOM 424 C THR A 27 2.197 26.136 2.824 1.00 0.00 C ATOM 425 O THR A 27 2.998 26.591 3.638 1.00 0.00 O ATOM 426 CB THR A 27 -0.164 25.262 2.974 1.00 0.00 C ATOM 427 OG1 THR A 27 -0.491 26.270 3.904 1.00 0.00 O ATOM 428 CG2 THR A 27 -1.086 24.068 3.207 1.00 0.00 C ATOM 0 H THR A 27 0.990 24.948 5.217 1.00 0.00 H new ATOM 0 HA THR A 27 1.605 24.124 2.464 1.00 0.00 H new ATOM 0 HB THR A 27 -0.311 25.583 1.943 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.437 26.508 3.809 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.122 24.375 3.065 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.842 23.276 2.499 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.953 23.699 4.224 1.00 0.00 H new ATOM 436 N LYS A 28 2.013 26.702 1.629 1.00 0.00 N ATOM 437 CA LYS A 28 2.606 27.994 1.245 1.00 0.00 C ATOM 438 C LYS A 28 2.009 29.168 2.056 1.00 0.00 C ATOM 439 O LYS A 28 2.691 30.161 2.315 1.00 0.00 O ATOM 440 CB LYS A 28 2.385 28.160 -0.269 1.00 0.00 C ATOM 441 CG LYS A 28 3.240 29.275 -0.892 1.00 0.00 C ATOM 442 CD LYS A 28 2.911 29.402 -2.383 1.00 0.00 C ATOM 443 CE LYS A 28 3.838 30.406 -3.072 1.00 0.00 C ATOM 444 NZ LYS A 28 3.516 30.519 -4.518 1.00 0.00 N ATOM 0 H LYS A 28 1.447 26.278 0.894 1.00 0.00 H new ATOM 0 HA LYS A 28 3.672 28.006 1.472 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.611 27.217 -0.767 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.332 28.373 -0.454 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.048 30.221 -0.385 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.299 29.052 -0.761 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.005 28.428 -2.863 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.875 29.718 -2.504 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.741 31.382 -2.596 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.875 30.093 -2.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.282 31.026 -5.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.416 29.568 -4.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.625 31.042 -4.635 1.00 0.00 H new ATOM 458 N ASP A 29 0.749 29.041 2.492 1.00 0.00 N ATOM 459 CA ASP A 29 0.064 29.998 3.375 1.00 0.00 C ATOM 460 C ASP A 29 0.486 29.848 4.851 1.00 0.00 C ATOM 461 O ASP A 29 0.503 30.836 5.588 1.00 0.00 O ATOM 462 CB ASP A 29 -1.449 29.803 3.215 1.00 0.00 C ATOM 463 CG ASP A 29 -2.254 30.850 4.003 1.00 0.00 C ATOM 464 OD1 ASP A 29 -2.253 32.037 3.599 1.00 0.00 O ATOM 465 OD2 ASP A 29 -2.906 30.474 5.008 1.00 0.00 O ATOM 0 H ASP A 29 0.161 28.249 2.234 1.00 0.00 H new ATOM 0 HA ASP A 29 0.350 31.009 3.083 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.712 29.864 2.159 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.723 28.804 3.555 1.00 0.00 H new ATOM 470 N PHE A 30 0.874 28.633 5.270 1.00 0.00 N ATOM 471 CA PHE A 30 1.373 28.320 6.612 1.00 0.00 C ATOM 472 C PHE A 30 2.741 27.599 6.561 1.00 0.00 C ATOM 473 O PHE A 30 2.810 26.394 6.831 1.00 0.00 O ATOM 474 CB PHE A 30 0.274 27.525 7.350 1.00 0.00 C ATOM 475 CG PHE A 30 0.598 27.055 8.765 1.00 0.00 C ATOM 476 CD1 PHE A 30 1.298 27.886 9.666 1.00 0.00 C ATOM 477 CD2 PHE A 30 0.183 25.775 9.185 1.00 0.00 C ATOM 478 CE1 PHE A 30 1.589 27.431 10.966 1.00 0.00 C ATOM 479 CE2 PHE A 30 0.463 25.327 10.488 1.00 0.00 C ATOM 480 CZ PHE A 30 1.171 26.152 11.379 1.00 0.00 C ATOM 0 H PHE A 30 0.847 27.816 4.660 1.00 0.00 H new ATOM 0 HA PHE A 30 1.573 29.233 7.172 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.622 28.145 7.395 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.027 26.650 6.750 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.611 28.873 9.358 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.354 25.134 8.501 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.135 28.065 11.649 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.134 24.348 10.804 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.394 25.806 12.377 1.00 0.00 H new ATOM 490 N PRO A 31 3.843 28.318 6.249 1.00 0.00 N ATOM 491 CA PRO A 31 5.205 27.799 6.377 1.00 0.00 C ATOM 492 C PRO A 31 5.518 27.358 7.812 1.00 0.00 C ATOM 493 O PRO A 31 4.917 27.854 8.766 1.00 0.00 O ATOM 494 CB PRO A 31 6.146 28.922 5.926 1.00 0.00 C ATOM 495 CG PRO A 31 5.258 29.805 5.057 1.00 0.00 C ATOM 496 CD PRO A 31 3.897 29.682 5.738 1.00 0.00 C ATOM 0 HA PRO A 31 5.331 26.909 5.760 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.550 29.472 6.776 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.996 28.532 5.365 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.609 30.837 5.036 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.227 29.458 4.024 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.794 30.408 6.544 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.087 29.870 5.034 1.00 0.00 H new ATOM 504 N GLN A 32 6.467 26.431 7.964 1.00 0.00 N ATOM 505 CA GLN A 32 6.847 25.855 9.257 1.00 0.00 C ATOM 506 C GLN A 32 8.224 26.360 9.711 1.00 0.00 C ATOM 507 O GLN A 32 9.110 26.612 8.895 1.00 0.00 O ATOM 508 CB GLN A 32 6.810 24.317 9.163 1.00 0.00 C ATOM 509 CG GLN A 32 5.428 23.766 8.757 1.00 0.00 C ATOM 510 CD GLN A 32 4.320 24.182 9.733 1.00 0.00 C ATOM 511 OE1 GLN A 32 4.278 23.764 10.881 1.00 0.00 O ATOM 512 NE2 GLN A 32 3.410 25.049 9.340 1.00 0.00 N ATOM 0 H GLN A 32 7.001 26.054 7.181 1.00 0.00 H new ATOM 0 HA GLN A 32 6.131 26.177 10.013 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.553 23.986 8.438 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.094 23.894 10.126 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.179 24.120 7.757 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.474 22.678 8.707 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.428 25.410 8.386 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.688 25.360 9.990 1.00 0.00 H new ATOM 521 N CYS A 33 8.395 26.519 11.027 1.00 0.00 N ATOM 522 CA CYS A 33 9.582 27.113 11.658 1.00 0.00 C ATOM 523 C CYS A 33 10.856 26.251 11.518 1.00 0.00 C ATOM 524 O CYS A 33 10.800 25.043 11.260 1.00 0.00 O ATOM 525 CB CYS A 33 9.251 27.406 13.136 1.00 0.00 C ATOM 526 SG CYS A 33 7.878 28.595 13.250 1.00 0.00 S ATOM 0 H CYS A 33 7.690 26.229 11.705 1.00 0.00 H new ATOM 0 HA CYS A 33 9.819 28.039 11.133 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.984 26.481 13.646 1.00 0.00 H new ATOM 0 HB3 CYS A 33 10.131 27.806 13.641 1.00 0.00 H new ATOM 0 HG CYS A 33 7.610 28.830 14.500 1.00 0.00 H new ATOM 532 N GLY A 34 12.018 26.883 11.721 1.00 0.00 N ATOM 533 CA GLY A 34 13.342 26.265 11.576 1.00 0.00 C ATOM 534 C GLY A 34 13.844 26.317 10.134 1.00 0.00 C ATOM 535 O GLY A 34 13.554 27.266 9.401 1.00 0.00 O ATOM 0 H GLY A 34 12.065 27.864 11.998 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.053 26.775 12.226 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.296 25.227 11.906 1.00 0.00 H new ATOM 539 N PHE A 35 14.597 25.292 9.720 1.00 0.00 N ATOM 540 CA PHE A 35 15.249 25.245 8.405 1.00 0.00 C ATOM 541 C PHE A 35 14.263 25.380 7.235 1.00 0.00 C ATOM 542 O PHE A 35 14.608 25.985 6.226 1.00 0.00 O ATOM 543 CB PHE A 35 16.073 23.951 8.279 1.00 0.00 C ATOM 544 CG PHE A 35 17.161 23.776 9.325 1.00 0.00 C ATOM 545 CD1 PHE A 35 18.220 24.701 9.402 1.00 0.00 C ATOM 546 CD2 PHE A 35 17.130 22.676 10.206 1.00 0.00 C ATOM 547 CE1 PHE A 35 19.239 24.530 10.355 1.00 0.00 C ATOM 548 CE2 PHE A 35 18.149 22.505 11.160 1.00 0.00 C ATOM 549 CZ PHE A 35 19.204 23.430 11.233 1.00 0.00 C ATOM 0 H PHE A 35 14.773 24.466 10.291 1.00 0.00 H new ATOM 0 HA PHE A 35 15.910 26.110 8.343 1.00 0.00 H new ATOM 0 HB2 PHE A 35 15.395 23.100 8.337 1.00 0.00 H new ATOM 0 HB3 PHE A 35 16.533 23.926 7.291 1.00 0.00 H new ATOM 0 HD1 PHE A 35 18.249 25.544 8.727 1.00 0.00 H new ATOM 0 HD2 PHE A 35 16.321 21.962 10.148 1.00 0.00 H new ATOM 0 HE1 PHE A 35 20.049 25.242 10.414 1.00 0.00 H new ATOM 0 HE2 PHE A 35 18.121 21.663 11.836 1.00 0.00 H new ATOM 0 HZ PHE A 35 19.989 23.297 11.963 1.00 0.00 H new ATOM 559 N SER A 36 13.025 24.894 7.356 1.00 0.00 N ATOM 560 CA SER A 36 11.990 25.054 6.319 1.00 0.00 C ATOM 561 C SER A 36 11.695 26.536 6.020 1.00 0.00 C ATOM 562 O SER A 36 11.736 26.947 4.858 1.00 0.00 O ATOM 563 CB SER A 36 10.710 24.325 6.745 1.00 0.00 C ATOM 564 OG SER A 36 10.979 22.962 7.035 1.00 0.00 O ATOM 0 H SER A 36 12.707 24.377 8.176 1.00 0.00 H new ATOM 0 HA SER A 36 12.369 24.612 5.398 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.284 24.811 7.623 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.966 24.393 5.951 1.00 0.00 H new ATOM 0 HG SER A 36 10.150 22.515 7.306 1.00 0.00 H new ATOM 570 N GLN A 37 11.501 27.367 7.057 1.00 0.00 N ATOM 571 CA GLN A 37 11.307 28.819 6.930 1.00 0.00 C ATOM 572 C GLN A 37 12.513 29.471 6.230 1.00 0.00 C ATOM 573 O GLN A 37 12.336 30.220 5.268 1.00 0.00 O ATOM 574 CB GLN A 37 11.062 29.432 8.321 1.00 0.00 C ATOM 575 CG GLN A 37 10.658 30.915 8.262 1.00 0.00 C ATOM 576 CD GLN A 37 10.367 31.475 9.658 1.00 0.00 C ATOM 577 OE1 GLN A 37 11.164 32.196 10.248 1.00 0.00 O ATOM 578 NE2 GLN A 37 9.232 31.157 10.250 1.00 0.00 N ATOM 0 H GLN A 37 11.474 27.042 8.023 1.00 0.00 H new ATOM 0 HA GLN A 37 10.431 29.011 6.310 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.279 28.868 8.828 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.967 29.331 8.921 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.457 31.492 7.797 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.775 31.028 7.633 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.558 30.558 9.773 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.028 31.510 11.185 1.00 0.00 H new ATOM 587 N THR A 38 13.735 29.110 6.651 1.00 0.00 N ATOM 588 CA THR A 38 14.986 29.565 6.024 1.00 0.00 C ATOM 589 C THR A 38 15.030 29.158 4.555 1.00 0.00 C ATOM 590 O THR A 38 15.334 29.978 3.698 1.00 0.00 O ATOM 591 CB THR A 38 16.202 29.005 6.781 1.00 0.00 C ATOM 592 OG1 THR A 38 16.022 29.181 8.168 1.00 0.00 O ATOM 593 CG2 THR A 38 17.500 29.707 6.386 1.00 0.00 C ATOM 0 H THR A 38 13.884 28.487 7.445 1.00 0.00 H new ATOM 0 HA THR A 38 15.021 30.653 6.076 1.00 0.00 H new ATOM 0 HB THR A 38 16.278 27.949 6.521 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.798 28.821 8.647 1.00 0.00 H new ATOM 0 HG21 THR A 38 18.331 29.278 6.946 1.00 0.00 H new ATOM 0 HG22 THR A 38 17.675 29.574 5.318 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.421 30.771 6.611 1.00 0.00 H new ATOM 601 N VAL A 39 14.666 27.915 4.246 1.00 0.00 N ATOM 602 CA VAL A 39 14.680 27.359 2.886 1.00 0.00 C ATOM 603 C VAL A 39 13.637 28.011 1.971 1.00 0.00 C ATOM 604 O VAL A 39 13.995 28.346 0.847 1.00 0.00 O ATOM 605 CB VAL A 39 14.582 25.818 2.903 1.00 0.00 C ATOM 606 CG1 VAL A 39 14.204 25.211 1.545 1.00 0.00 C ATOM 607 CG2 VAL A 39 15.946 25.243 3.318 1.00 0.00 C ATOM 0 H VAL A 39 14.345 27.248 4.947 1.00 0.00 H new ATOM 0 HA VAL A 39 15.647 27.608 2.450 1.00 0.00 H new ATOM 0 HB VAL A 39 13.790 25.561 3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 39 14.154 24.126 1.633 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.233 25.595 1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.956 25.481 0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 39 15.892 24.154 3.335 1.00 0.00 H new ATOM 0 HG22 VAL A 39 16.706 25.558 2.603 1.00 0.00 H new ATOM 0 HG23 VAL A 39 16.208 25.608 4.311 1.00 0.00 H new ATOM 617 N VAL A 40 12.394 28.258 2.410 1.00 0.00 N ATOM 618 CA VAL A 40 11.419 28.951 1.548 1.00 0.00 C ATOM 619 C VAL A 40 11.820 30.412 1.276 1.00 0.00 C ATOM 620 O VAL A 40 11.618 30.897 0.164 1.00 0.00 O ATOM 621 CB VAL A 40 9.965 28.838 2.045 1.00 0.00 C ATOM 622 CG1 VAL A 40 9.490 27.375 2.047 1.00 0.00 C ATOM 623 CG2 VAL A 40 9.698 29.485 3.408 1.00 0.00 C ATOM 0 H VAL A 40 12.044 27.997 3.332 1.00 0.00 H new ATOM 0 HA VAL A 40 11.448 28.422 0.595 1.00 0.00 H new ATOM 0 HB VAL A 40 9.382 29.414 1.326 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.461 27.327 2.402 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.543 26.974 1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.129 26.786 2.705 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.649 29.355 3.673 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.325 29.013 4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.930 30.549 3.357 1.00 0.00 H new ATOM 633 N GLN A 41 12.453 31.097 2.245 1.00 0.00 N ATOM 634 CA GLN A 41 13.061 32.419 2.031 1.00 0.00 C ATOM 635 C GLN A 41 14.237 32.343 1.039 1.00 0.00 C ATOM 636 O GLN A 41 14.305 33.157 0.115 1.00 0.00 O ATOM 637 CB GLN A 41 13.513 33.005 3.384 1.00 0.00 C ATOM 638 CG GLN A 41 12.347 33.449 4.285 1.00 0.00 C ATOM 639 CD GLN A 41 11.729 34.777 3.834 1.00 0.00 C ATOM 640 OE1 GLN A 41 10.800 34.827 3.035 1.00 0.00 O ATOM 641 NE2 GLN A 41 12.235 35.904 4.294 1.00 0.00 N ATOM 0 H GLN A 41 12.557 30.748 3.198 1.00 0.00 H new ATOM 0 HA GLN A 41 12.314 33.079 1.591 1.00 0.00 H new ATOM 0 HB2 GLN A 41 14.106 32.259 3.913 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.165 33.859 3.201 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.578 32.676 4.286 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.702 33.547 5.311 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.008 35.882 4.959 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.854 36.798 3.985 1.00 0.00 H new ATOM 650 N ILE A 42 15.120 31.344 1.173 1.00 0.00 N ATOM 651 CA ILE A 42 16.264 31.107 0.267 1.00 0.00 C ATOM 652 C ILE A 42 15.800 30.882 -1.174 1.00 0.00 C ATOM 653 O ILE A 42 16.281 31.571 -2.067 1.00 0.00 O ATOM 654 CB ILE A 42 17.129 29.928 0.803 1.00 0.00 C ATOM 655 CG1 ILE A 42 18.074 30.440 1.914 1.00 0.00 C ATOM 656 CG2 ILE A 42 17.916 29.177 -0.293 1.00 0.00 C ATOM 657 CD1 ILE A 42 18.783 29.324 2.698 1.00 0.00 C ATOM 0 H ILE A 42 15.062 30.661 1.928 1.00 0.00 H new ATOM 0 HA ILE A 42 16.890 31.999 0.248 1.00 0.00 H new ATOM 0 HB ILE A 42 16.437 29.192 1.213 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.826 31.089 1.466 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.500 31.051 2.611 1.00 0.00 H new ATOM 0 HG21 ILE A 42 18.493 28.371 0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.219 28.760 -1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.592 29.869 -0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 42 19.427 29.766 3.458 1.00 0.00 H new ATOM 0 HD12 ILE A 42 18.039 28.687 3.178 1.00 0.00 H new ATOM 0 HD13 ILE A 42 19.386 28.726 2.015 1.00 0.00 H new ATOM 669 N LEU A 43 14.865 29.959 -1.412 1.00 0.00 N ATOM 670 CA LEU A 43 14.456 29.545 -2.763 1.00 0.00 C ATOM 671 C LEU A 43 13.787 30.696 -3.518 1.00 0.00 C ATOM 672 O LEU A 43 14.172 31.016 -4.644 1.00 0.00 O ATOM 673 CB LEU A 43 13.520 28.327 -2.646 1.00 0.00 C ATOM 674 CG LEU A 43 14.221 27.043 -2.154 1.00 0.00 C ATOM 675 CD1 LEU A 43 13.151 26.029 -1.721 1.00 0.00 C ATOM 676 CD2 LEU A 43 15.148 26.448 -3.226 1.00 0.00 C ATOM 0 H LEU A 43 14.364 29.472 -0.669 1.00 0.00 H new ATOM 0 HA LEU A 43 15.338 29.266 -3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.707 28.570 -1.961 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.069 28.133 -3.619 1.00 0.00 H new ATOM 0 HG LEU A 43 14.855 27.292 -1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 43 13.634 25.117 -1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.552 26.454 -0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.507 25.796 -2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 43 15.621 25.546 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 43 14.566 26.200 -4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 43 15.916 27.176 -3.488 1.00 0.00 H new ATOM 688 N LYS A 44 12.840 31.368 -2.857 1.00 0.00 N ATOM 689 CA LYS A 44 12.205 32.588 -3.357 1.00 0.00 C ATOM 690 C LYS A 44 13.262 33.614 -3.802 1.00 0.00 C ATOM 691 O LYS A 44 13.270 34.016 -4.967 1.00 0.00 O ATOM 692 CB LYS A 44 11.281 33.116 -2.245 1.00 0.00 C ATOM 693 CG LYS A 44 10.533 34.401 -2.637 1.00 0.00 C ATOM 694 CD LYS A 44 9.505 34.830 -1.576 1.00 0.00 C ATOM 695 CE LYS A 44 10.150 35.089 -0.206 1.00 0.00 C ATOM 696 NZ LYS A 44 9.153 35.541 0.805 1.00 0.00 N ATOM 0 H LYS A 44 12.489 31.074 -1.946 1.00 0.00 H new ATOM 0 HA LYS A 44 11.608 32.386 -4.246 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.555 32.345 -1.988 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.873 33.307 -1.350 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.253 35.205 -2.787 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.025 34.246 -3.589 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.996 35.734 -1.912 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.745 34.055 -1.476 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.634 34.177 0.145 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.929 35.844 -0.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.531 35.382 1.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.960 36.554 0.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.271 35.003 0.688 1.00 0.00 H new ATOM 710 N SER A 45 14.175 33.967 -2.886 1.00 0.00 N ATOM 711 CA SER A 45 15.205 35.010 -3.051 1.00 0.00 C ATOM 712 C SER A 45 16.296 34.662 -4.082 1.00 0.00 C ATOM 713 O SER A 45 16.756 35.543 -4.813 1.00 0.00 O ATOM 714 CB SER A 45 15.888 35.295 -1.702 1.00 0.00 C ATOM 715 OG SER A 45 14.953 35.609 -0.679 1.00 0.00 O ATOM 0 H SER A 45 14.220 33.517 -1.972 1.00 0.00 H new ATOM 0 HA SER A 45 14.674 35.885 -3.425 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.472 34.425 -1.402 1.00 0.00 H new ATOM 0 HB3 SER A 45 16.587 36.123 -1.819 1.00 0.00 H new ATOM 0 HG SER A 45 14.759 34.804 -0.155 1.00 0.00 H new ATOM 721 N LEU A 46 16.691 33.382 -4.166 1.00 0.00 N ATOM 722 CA LEU A 46 17.614 32.844 -5.171 1.00 0.00 C ATOM 723 C LEU A 46 17.056 33.033 -6.592 1.00 0.00 C ATOM 724 O LEU A 46 17.833 33.246 -7.523 1.00 0.00 O ATOM 725 CB LEU A 46 17.857 31.360 -4.822 1.00 0.00 C ATOM 726 CG LEU A 46 18.792 30.585 -5.773 1.00 0.00 C ATOM 727 CD1 LEU A 46 20.202 31.191 -5.815 1.00 0.00 C ATOM 728 CD2 LEU A 46 18.876 29.127 -5.299 1.00 0.00 C ATOM 0 H LEU A 46 16.364 32.671 -3.512 1.00 0.00 H new ATOM 0 HA LEU A 46 18.563 33.380 -5.157 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.271 31.307 -3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.894 30.851 -4.797 1.00 0.00 H new ATOM 0 HG LEU A 46 18.380 30.644 -6.781 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.826 30.613 -6.497 1.00 0.00 H new ATOM 0 HD12 LEU A 46 20.144 32.223 -6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 46 20.638 31.168 -4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.534 28.566 -5.962 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.272 29.097 -4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 46 17.881 28.682 -5.314 1.00 0.00 H new ATOM 740 N ASN A 47 15.722 32.969 -6.705 1.00 0.00 N ATOM 741 CA ASN A 47 14.825 33.299 -7.826 1.00 0.00 C ATOM 742 C ASN A 47 13.982 32.072 -8.196 1.00 0.00 C ATOM 743 O ASN A 47 14.329 31.325 -9.117 1.00 0.00 O ATOM 744 CB ASN A 47 15.512 33.940 -9.053 1.00 0.00 C ATOM 745 CG ASN A 47 14.523 34.402 -10.125 1.00 0.00 C ATOM 746 OD1 ASN A 47 13.315 34.466 -9.924 1.00 0.00 O ATOM 747 ND2 ASN A 47 15.014 34.747 -11.301 1.00 0.00 N ATOM 0 H ASN A 47 15.174 32.642 -5.909 1.00 0.00 H new ATOM 0 HA ASN A 47 14.169 34.093 -7.469 1.00 0.00 H new ATOM 0 HB2 ASN A 47 16.106 34.793 -8.724 1.00 0.00 H new ATOM 0 HB3 ASN A 47 16.203 33.220 -9.492 1.00 0.00 H new ATOM 0 HD21 ASN A 47 14.389 35.066 -12.041 1.00 0.00 H new ATOM 0 HD22 ASN A 47 16.019 34.694 -11.470 1.00 0.00 H new ATOM 754 N ALA A 48 12.870 31.863 -7.478 1.00 0.00 N ATOM 755 CA ALA A 48 11.931 30.775 -7.793 1.00 0.00 C ATOM 756 C ALA A 48 10.470 31.084 -7.401 1.00 0.00 C ATOM 757 O ALA A 48 10.245 31.564 -6.284 1.00 0.00 O ATOM 758 CB ALA A 48 12.409 29.481 -7.108 1.00 0.00 C ATOM 0 H ALA A 48 12.598 32.432 -6.676 1.00 0.00 H new ATOM 0 HA ALA A 48 11.928 30.657 -8.877 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.717 28.671 -7.338 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.404 29.223 -7.472 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.445 29.632 -6.029 1.00 0.00 H new ATOM 764 N PRO A 49 9.478 30.749 -8.258 1.00 0.00 N ATOM 765 CA PRO A 49 8.053 30.783 -7.929 1.00 0.00 C ATOM 766 C PRO A 49 7.676 29.497 -7.167 1.00 0.00 C ATOM 767 O PRO A 49 6.896 28.674 -7.649 1.00 0.00 O ATOM 768 CB PRO A 49 7.355 30.940 -9.286 1.00 0.00 C ATOM 769 CG PRO A 49 8.241 30.117 -10.221 1.00 0.00 C ATOM 770 CD PRO A 49 9.643 30.339 -9.652 1.00 0.00 C ATOM 0 HA PRO A 49 7.757 31.596 -7.266 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.333 30.562 -9.261 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.301 31.984 -9.595 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.965 29.063 -10.214 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.166 30.459 -11.253 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.235 29.426 -9.718 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.173 31.104 -10.219 1.00 0.00 H new ATOM 778 N PHE A 50 8.301 29.294 -5.998 1.00 0.00 N ATOM 779 CA PHE A 50 8.223 28.055 -5.221 1.00 0.00 C ATOM 780 C PHE A 50 6.792 27.731 -4.749 1.00 0.00 C ATOM 781 O PHE A 50 5.960 28.622 -4.569 1.00 0.00 O ATOM 782 CB PHE A 50 9.201 28.132 -4.028 1.00 0.00 C ATOM 783 CG PHE A 50 8.647 28.868 -2.818 1.00 0.00 C ATOM 784 CD1 PHE A 50 8.531 30.271 -2.828 1.00 0.00 C ATOM 785 CD2 PHE A 50 8.158 28.138 -1.716 1.00 0.00 C ATOM 786 CE1 PHE A 50 7.901 30.934 -1.761 1.00 0.00 C ATOM 787 CE2 PHE A 50 7.527 28.805 -0.649 1.00 0.00 C ATOM 788 CZ PHE A 50 7.396 30.203 -0.674 1.00 0.00 C ATOM 0 H PHE A 50 8.887 30.004 -5.559 1.00 0.00 H new ATOM 0 HA PHE A 50 8.513 27.234 -5.877 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.475 27.120 -3.730 1.00 0.00 H new ATOM 0 HB3 PHE A 50 10.116 28.627 -4.353 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.927 30.839 -3.657 1.00 0.00 H new ATOM 0 HD2 PHE A 50 8.268 27.064 -1.690 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.805 32.010 -1.777 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.144 28.242 0.189 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.907 30.715 0.142 1.00 0.00 H new ATOM 798 N GLU A 51 6.536 26.449 -4.479 1.00 0.00 N ATOM 799 CA GLU A 51 5.303 25.963 -3.845 1.00 0.00 C ATOM 800 C GLU A 51 5.615 25.212 -2.549 1.00 0.00 C ATOM 801 O GLU A 51 6.766 24.931 -2.221 1.00 0.00 O ATOM 802 CB GLU A 51 4.527 25.074 -4.834 1.00 0.00 C ATOM 803 CG GLU A 51 3.859 25.887 -5.950 1.00 0.00 C ATOM 804 CD GLU A 51 2.794 26.866 -5.426 1.00 0.00 C ATOM 805 OE1 GLU A 51 1.874 26.426 -4.696 1.00 0.00 O ATOM 806 OE2 GLU A 51 2.872 28.079 -5.737 1.00 0.00 O ATOM 0 H GLU A 51 7.194 25.701 -4.699 1.00 0.00 H new ATOM 0 HA GLU A 51 4.679 26.817 -3.582 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.208 24.346 -5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.766 24.511 -4.293 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.622 26.445 -6.492 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.397 25.204 -6.663 1.00 0.00 H new ATOM 813 N SER A 52 4.594 24.884 -1.762 1.00 0.00 N ATOM 814 CA SER A 52 4.761 24.167 -0.494 1.00 0.00 C ATOM 815 C SER A 52 3.535 23.295 -0.175 1.00 0.00 C ATOM 816 O SER A 52 2.416 23.800 -0.088 1.00 0.00 O ATOM 817 CB SER A 52 5.058 25.161 0.634 1.00 0.00 C ATOM 818 OG SER A 52 6.361 25.698 0.479 1.00 0.00 O ATOM 0 H SER A 52 3.624 25.107 -1.983 1.00 0.00 H new ATOM 0 HA SER A 52 5.611 23.491 -0.587 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.322 25.964 0.625 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.974 24.663 1.600 1.00 0.00 H new ATOM 0 HG SER A 52 6.738 25.400 -0.375 1.00 0.00 H new ATOM 824 N VAL A 53 3.749 21.985 -0.016 1.00 0.00 N ATOM 825 CA VAL A 53 2.704 20.959 0.151 1.00 0.00 C ATOM 826 C VAL A 53 2.682 20.477 1.605 1.00 0.00 C ATOM 827 O VAL A 53 3.715 20.076 2.142 1.00 0.00 O ATOM 828 CB VAL A 53 2.955 19.768 -0.808 1.00 0.00 C ATOM 829 CG1 VAL A 53 1.927 18.638 -0.616 1.00 0.00 C ATOM 830 CG2 VAL A 53 2.914 20.215 -2.282 1.00 0.00 C ATOM 0 H VAL A 53 4.690 21.591 0.001 1.00 0.00 H new ATOM 0 HA VAL A 53 1.736 21.396 -0.094 1.00 0.00 H new ATOM 0 HB VAL A 53 3.948 19.391 -0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.145 17.826 -1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.983 18.265 0.407 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.925 19.021 -0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.094 19.356 -2.928 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.935 20.639 -2.506 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.684 20.967 -2.456 1.00 0.00 H new ATOM 840 N ASN A 54 1.493 20.466 2.215 1.00 0.00 N ATOM 841 CA ASN A 54 1.291 19.951 3.570 1.00 0.00 C ATOM 842 C ASN A 54 1.187 18.414 3.578 1.00 0.00 C ATOM 843 O ASN A 54 0.160 17.849 3.206 1.00 0.00 O ATOM 844 CB ASN A 54 0.055 20.608 4.207 1.00 0.00 C ATOM 845 CG ASN A 54 -0.210 20.090 5.620 1.00 0.00 C ATOM 846 OD1 ASN A 54 0.670 19.552 6.282 1.00 0.00 O ATOM 847 ND2 ASN A 54 -1.425 20.217 6.114 1.00 0.00 N ATOM 0 H ASN A 54 0.640 20.816 1.779 1.00 0.00 H new ATOM 0 HA ASN A 54 2.162 20.211 4.172 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.195 21.688 4.238 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -0.818 20.418 3.582 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.635 19.867 7.049 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.156 20.665 5.561 1.00 0.00 H new ATOM 854 N ILE A 55 2.214 17.720 4.081 1.00 0.00 N ATOM 855 CA ILE A 55 2.235 16.240 4.193 1.00 0.00 C ATOM 856 C ILE A 55 1.166 15.697 5.155 1.00 0.00 C ATOM 857 O ILE A 55 0.694 14.581 4.976 1.00 0.00 O ATOM 858 CB ILE A 55 3.647 15.726 4.576 1.00 0.00 C ATOM 859 CG1 ILE A 55 4.030 16.112 6.022 1.00 0.00 C ATOM 860 CG2 ILE A 55 4.672 16.192 3.526 1.00 0.00 C ATOM 861 CD1 ILE A 55 5.480 15.847 6.429 1.00 0.00 C ATOM 0 H ILE A 55 3.065 18.164 4.427 1.00 0.00 H new ATOM 0 HA ILE A 55 1.986 15.853 3.205 1.00 0.00 H new ATOM 0 HB ILE A 55 3.643 14.636 4.567 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.824 17.173 6.159 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.377 15.569 6.706 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.663 15.829 3.799 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.397 15.796 2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.683 17.281 3.487 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.630 16.157 7.463 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.696 14.783 6.335 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.149 16.412 5.780 1.00 0.00 H new ATOM 873 N LEU A 56 0.760 16.494 6.150 1.00 0.00 N ATOM 874 CA LEU A 56 -0.240 16.140 7.167 1.00 0.00 C ATOM 875 C LEU A 56 -1.694 16.379 6.706 1.00 0.00 C ATOM 876 O LEU A 56 -2.622 16.099 7.466 1.00 0.00 O ATOM 877 CB LEU A 56 0.109 16.907 8.473 1.00 0.00 C ATOM 878 CG LEU A 56 0.765 16.074 9.596 1.00 0.00 C ATOM 879 CD1 LEU A 56 -0.189 15.007 10.149 1.00 0.00 C ATOM 880 CD2 LEU A 56 2.087 15.436 9.151 1.00 0.00 C ATOM 0 H LEU A 56 1.131 17.436 6.275 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.196 15.066 7.349 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.779 17.729 8.220 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.806 17.351 8.865 1.00 0.00 H new ATOM 0 HG LEU A 56 0.991 16.774 10.400 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.312 14.444 10.936 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.077 15.489 10.557 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.480 14.329 9.347 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.509 14.861 9.975 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.905 14.775 8.303 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.788 16.218 8.858 1.00 0.00 H new ATOM 892 N GLU A 57 -1.910 16.869 5.477 1.00 0.00 N ATOM 893 CA GLU A 57 -3.245 17.181 4.944 1.00 0.00 C ATOM 894 C GLU A 57 -4.094 15.917 4.691 1.00 0.00 C ATOM 895 O GLU A 57 -5.322 15.962 4.801 1.00 0.00 O ATOM 896 CB GLU A 57 -3.091 17.998 3.649 1.00 0.00 C ATOM 897 CG GLU A 57 -4.323 18.838 3.287 1.00 0.00 C ATOM 898 CD GLU A 57 -4.589 19.947 4.321 1.00 0.00 C ATOM 899 OE1 GLU A 57 -3.712 20.822 4.518 1.00 0.00 O ATOM 900 OE2 GLU A 57 -5.680 19.950 4.939 1.00 0.00 O ATOM 0 H GLU A 57 -1.156 17.062 4.818 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.779 17.764 5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.231 18.660 3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.875 17.317 2.826 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.180 19.286 2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.196 18.190 3.218 1.00 0.00 H new ATOM 907 N ASN A 58 -3.448 14.784 4.380 1.00 0.00 N ATOM 908 CA ASN A 58 -4.094 13.491 4.143 1.00 0.00 C ATOM 909 C ASN A 58 -3.091 12.335 4.317 1.00 0.00 C ATOM 910 O ASN A 58 -1.954 12.419 3.852 1.00 0.00 O ATOM 911 CB ASN A 58 -4.713 13.481 2.731 1.00 0.00 C ATOM 912 CG ASN A 58 -5.605 12.266 2.501 1.00 0.00 C ATOM 913 OD1 ASN A 58 -5.126 11.158 2.298 1.00 0.00 O ATOM 914 ND2 ASN A 58 -6.916 12.431 2.540 1.00 0.00 N ATOM 0 H ASN A 58 -2.433 14.744 4.284 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.886 13.347 4.878 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.296 14.390 2.586 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.916 13.491 1.987 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -7.535 11.632 2.401 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -7.309 13.357 2.710 1.00 0.00 H new ATOM 921 N GLU A 59 -3.519 11.233 4.934 1.00 0.00 N ATOM 922 CA GLU A 59 -2.732 10.015 5.172 1.00 0.00 C ATOM 923 C GLU A 59 -2.080 9.434 3.910 1.00 0.00 C ATOM 924 O GLU A 59 -0.930 8.990 3.951 1.00 0.00 O ATOM 925 CB GLU A 59 -3.606 8.936 5.842 1.00 0.00 C ATOM 926 CG GLU A 59 -5.041 8.758 5.313 1.00 0.00 C ATOM 927 CD GLU A 59 -6.063 9.596 6.097 1.00 0.00 C ATOM 928 OE1 GLU A 59 -6.092 10.838 5.921 1.00 0.00 O ATOM 929 OE2 GLU A 59 -6.836 9.016 6.895 1.00 0.00 O ATOM 0 H GLU A 59 -4.468 11.158 5.300 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.918 10.315 5.832 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.091 7.980 5.748 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.665 9.163 6.906 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.075 9.040 4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.318 7.705 5.370 1.00 0.00 H new ATOM 936 N LEU A 60 -2.794 9.436 2.783 1.00 0.00 N ATOM 937 CA LEU A 60 -2.306 8.940 1.496 1.00 0.00 C ATOM 938 C LEU A 60 -1.153 9.795 0.944 1.00 0.00 C ATOM 939 O LEU A 60 -0.253 9.253 0.312 1.00 0.00 O ATOM 940 CB LEU A 60 -3.495 8.857 0.518 1.00 0.00 C ATOM 941 CG LEU A 60 -3.194 8.101 -0.793 1.00 0.00 C ATOM 942 CD1 LEU A 60 -2.868 6.617 -0.554 1.00 0.00 C ATOM 943 CD2 LEU A 60 -4.403 8.211 -1.731 1.00 0.00 C ATOM 0 H LEU A 60 -3.749 9.791 2.739 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.885 7.943 1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.329 8.368 1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.819 9.869 0.273 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.314 8.561 -1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.664 6.131 -1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.992 6.536 0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.717 6.131 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.194 7.678 -2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.278 7.773 -1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.598 9.260 -1.952 1.00 0.00 H new ATOM 955 N LEU A 61 -1.132 11.103 1.232 1.00 0.00 N ATOM 956 CA LEU A 61 -0.002 11.995 0.917 1.00 0.00 C ATOM 957 C LEU A 61 1.160 11.738 1.893 1.00 0.00 C ATOM 958 O LEU A 61 2.295 11.550 1.462 1.00 0.00 O ATOM 959 CB LEU A 61 -0.496 13.462 0.953 1.00 0.00 C ATOM 960 CG LEU A 61 0.185 14.409 -0.062 1.00 0.00 C ATOM 961 CD1 LEU A 61 -0.446 15.803 0.055 1.00 0.00 C ATOM 962 CD2 LEU A 61 1.708 14.517 0.111 1.00 0.00 C ATOM 0 H LEU A 61 -1.906 11.579 1.695 1.00 0.00 H new ATOM 0 HA LEU A 61 0.378 11.794 -0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.571 13.472 0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.339 13.857 1.957 1.00 0.00 H new ATOM 0 HG LEU A 61 0.022 13.981 -1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.028 16.478 -0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.513 15.739 -0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.302 16.184 1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.112 15.199 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.935 14.896 1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.159 13.533 -0.014 1.00 0.00 H new ATOM 974 N ARG A 62 0.856 11.638 3.196 1.00 0.00 N ATOM 975 CA ARG A 62 1.827 11.384 4.272 1.00 0.00 C ATOM 976 C ARG A 62 2.657 10.110 4.031 1.00 0.00 C ATOM 977 O ARG A 62 3.878 10.135 4.175 1.00 0.00 O ATOM 978 CB ARG A 62 1.077 11.326 5.619 1.00 0.00 C ATOM 979 CG ARG A 62 2.019 11.561 6.811 1.00 0.00 C ATOM 980 CD ARG A 62 1.247 11.537 8.136 1.00 0.00 C ATOM 981 NE ARG A 62 2.141 11.797 9.280 1.00 0.00 N ATOM 982 CZ ARG A 62 1.801 11.773 10.564 1.00 0.00 C ATOM 983 NH1 ARG A 62 0.574 11.499 10.956 1.00 0.00 N ATOM 984 NH2 ARG A 62 2.705 12.025 11.485 1.00 0.00 N ATOM 0 H ARG A 62 -0.099 11.734 3.540 1.00 0.00 H new ATOM 0 HA ARG A 62 2.545 12.204 4.289 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.287 12.077 5.627 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.594 10.354 5.724 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.793 10.794 6.824 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.523 12.521 6.697 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.456 12.286 8.112 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.765 10.568 8.261 1.00 0.00 H new ATOM 0 HE ARG A 62 3.114 12.016 9.065 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.149 11.297 10.265 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.347 11.489 11.950 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.665 12.238 11.213 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.447 12.007 12.472 1.00 0.00 H new ATOM 998 N GLN A 63 2.011 9.009 3.626 1.00 0.00 N ATOM 999 CA GLN A 63 2.700 7.760 3.249 1.00 0.00 C ATOM 1000 C GLN A 63 3.180 7.757 1.783 1.00 0.00 C ATOM 1001 O GLN A 63 4.185 7.121 1.467 1.00 0.00 O ATOM 1002 CB GLN A 63 1.787 6.556 3.562 1.00 0.00 C ATOM 1003 CG GLN A 63 0.627 6.357 2.567 1.00 0.00 C ATOM 1004 CD GLN A 63 -0.489 5.499 3.158 1.00 0.00 C ATOM 1005 OE1 GLN A 63 -0.619 4.314 2.884 1.00 0.00 O ATOM 1006 NE2 GLN A 63 -1.333 6.065 3.996 1.00 0.00 N ATOM 0 H GLN A 63 0.995 8.955 3.549 1.00 0.00 H new ATOM 0 HA GLN A 63 3.608 7.682 3.847 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.394 5.651 3.579 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.373 6.681 4.563 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.225 7.328 2.280 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.004 5.887 1.659 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.233 7.053 4.231 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.086 5.516 4.410 1.00 0.00 H new ATOM 1015 N GLY A 64 2.494 8.481 0.887 1.00 0.00 N ATOM 1016 CA GLY A 64 2.762 8.485 -0.555 1.00 0.00 C ATOM 1017 C GLY A 64 4.048 9.211 -0.930 1.00 0.00 C ATOM 1018 O GLY A 64 4.720 8.788 -1.866 1.00 0.00 O ATOM 0 H GLY A 64 1.722 9.092 1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.818 7.456 -0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.925 8.955 -1.071 1.00 0.00 H new ATOM 1022 N LEU A 65 4.443 10.249 -0.183 1.00 0.00 N ATOM 1023 CA LEU A 65 5.701 10.973 -0.408 1.00 0.00 C ATOM 1024 C LEU A 65 6.936 10.064 -0.275 1.00 0.00 C ATOM 1025 O LEU A 65 7.912 10.237 -1.003 1.00 0.00 O ATOM 1026 CB LEU A 65 5.745 12.172 0.558 1.00 0.00 C ATOM 1027 CG LEU A 65 6.948 13.117 0.350 1.00 0.00 C ATOM 1028 CD1 LEU A 65 6.976 13.751 -1.048 1.00 0.00 C ATOM 1029 CD2 LEU A 65 6.883 14.231 1.400 1.00 0.00 C ATOM 0 H LEU A 65 3.897 10.612 0.598 1.00 0.00 H new ATOM 0 HA LEU A 65 5.731 11.335 -1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.825 12.746 0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.766 11.797 1.581 1.00 0.00 H new ATOM 0 HG LEU A 65 7.855 12.521 0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.844 14.405 -1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.037 12.966 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.067 14.333 -1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.727 14.907 1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.952 14.786 1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.924 13.794 2.398 1.00 0.00 H new ATOM 1041 N LYS A 66 6.887 9.040 0.586 1.00 0.00 N ATOM 1042 CA LYS A 66 7.972 8.056 0.708 1.00 0.00 C ATOM 1043 C LYS A 66 8.158 7.241 -0.590 1.00 0.00 C ATOM 1044 O LYS A 66 9.292 7.010 -1.008 1.00 0.00 O ATOM 1045 CB LYS A 66 7.701 7.168 1.936 1.00 0.00 C ATOM 1046 CG LYS A 66 8.913 6.283 2.281 1.00 0.00 C ATOM 1047 CD LYS A 66 8.752 5.531 3.609 1.00 0.00 C ATOM 1048 CE LYS A 66 7.589 4.525 3.574 1.00 0.00 C ATOM 1049 NZ LYS A 66 7.504 3.741 4.839 1.00 0.00 N ATOM 0 H LYS A 66 6.101 8.870 1.214 1.00 0.00 H new ATOM 0 HA LYS A 66 8.919 8.575 0.858 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.455 7.797 2.792 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.833 6.537 1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.069 5.562 1.479 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.807 6.905 2.329 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.678 5.004 3.840 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.584 6.249 4.412 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.652 5.057 3.411 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.720 3.845 2.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.709 3.073 4.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.389 3.214 4.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.354 4.388 5.639 1.00 0.00 H new ATOM 1063 N GLU A 67 7.068 6.878 -1.270 1.00 0.00 N ATOM 1064 CA GLU A 67 7.112 6.245 -2.596 1.00 0.00 C ATOM 1065 C GLU A 67 7.542 7.252 -3.684 1.00 0.00 C ATOM 1066 O GLU A 67 8.341 6.918 -4.560 1.00 0.00 O ATOM 1067 CB GLU A 67 5.734 5.635 -2.905 1.00 0.00 C ATOM 1068 CG GLU A 67 5.675 4.806 -4.197 1.00 0.00 C ATOM 1069 CD GLU A 67 6.639 3.606 -4.198 1.00 0.00 C ATOM 1070 OE1 GLU A 67 6.691 2.855 -3.195 1.00 0.00 O ATOM 1071 OE2 GLU A 67 7.332 3.384 -5.219 1.00 0.00 O ATOM 0 H GLU A 67 6.121 7.015 -0.916 1.00 0.00 H new ATOM 0 HA GLU A 67 7.860 5.452 -2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.436 5.002 -2.069 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.002 6.440 -2.972 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.657 4.445 -4.342 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.908 5.451 -5.044 1.00 0.00 H new ATOM 1078 N TYR A 68 7.052 8.496 -3.613 1.00 0.00 N ATOM 1079 CA TYR A 68 7.353 9.575 -4.565 1.00 0.00 C ATOM 1080 C TYR A 68 8.839 9.986 -4.577 1.00 0.00 C ATOM 1081 O TYR A 68 9.399 10.277 -5.638 1.00 0.00 O ATOM 1082 CB TYR A 68 6.461 10.774 -4.207 1.00 0.00 C ATOM 1083 CG TYR A 68 6.327 11.824 -5.289 1.00 0.00 C ATOM 1084 CD1 TYR A 68 5.544 11.548 -6.427 1.00 0.00 C ATOM 1085 CD2 TYR A 68 6.947 13.081 -5.149 1.00 0.00 C ATOM 1086 CE1 TYR A 68 5.386 12.523 -7.430 1.00 0.00 C ATOM 1087 CE2 TYR A 68 6.782 14.063 -6.143 1.00 0.00 C ATOM 1088 CZ TYR A 68 6.013 13.780 -7.292 1.00 0.00 C ATOM 1089 OH TYR A 68 5.877 14.717 -8.268 1.00 0.00 O ATOM 0 H TYR A 68 6.417 8.789 -2.871 1.00 0.00 H new ATOM 0 HA TYR A 68 7.147 9.214 -5.573 1.00 0.00 H new ATOM 0 HB2 TYR A 68 5.467 10.405 -3.957 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.860 11.248 -3.310 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.064 10.586 -6.530 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.550 13.291 -4.278 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.787 12.310 -8.303 1.00 0.00 H new ATOM 0 HE2 TYR A 68 7.243 15.033 -6.027 1.00 0.00 H new ATOM 0 HH TYR A 68 5.141 14.464 -8.864 1.00 0.00 H new ATOM 1099 N SER A 69 9.483 10.007 -3.406 1.00 0.00 N ATOM 1100 CA SER A 69 10.839 10.548 -3.221 1.00 0.00 C ATOM 1101 C SER A 69 11.907 9.551 -2.745 1.00 0.00 C ATOM 1102 O SER A 69 13.089 9.858 -2.858 1.00 0.00 O ATOM 1103 CB SER A 69 10.789 11.663 -2.167 1.00 0.00 C ATOM 1104 OG SER A 69 9.934 12.715 -2.559 1.00 0.00 O ATOM 0 H SER A 69 9.073 9.644 -2.545 1.00 0.00 H new ATOM 0 HA SER A 69 11.135 10.880 -4.216 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.447 11.251 -1.218 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.793 12.053 -2.002 1.00 0.00 H new ATOM 0 HG SER A 69 9.988 13.442 -1.904 1.00 0.00 H new ATOM 1110 N SER A 70 11.543 8.408 -2.151 1.00 0.00 N ATOM 1111 CA SER A 70 12.417 7.434 -1.444 1.00 0.00 C ATOM 1112 C SER A 70 13.008 7.961 -0.114 1.00 0.00 C ATOM 1113 O SER A 70 13.529 7.184 0.691 1.00 0.00 O ATOM 1114 CB SER A 70 13.520 6.851 -2.357 1.00 0.00 C ATOM 1115 OG SER A 70 14.584 7.754 -2.607 1.00 0.00 O ATOM 0 H SER A 70 10.568 8.109 -2.145 1.00 0.00 H new ATOM 0 HA SER A 70 11.747 6.618 -1.171 1.00 0.00 H new ATOM 0 HB2 SER A 70 13.921 5.948 -1.897 1.00 0.00 H new ATOM 0 HB3 SER A 70 13.075 6.554 -3.307 1.00 0.00 H new ATOM 0 HG SER A 70 14.226 8.584 -2.986 1.00 0.00 H new ATOM 1121 N TRP A 71 12.899 9.272 0.150 1.00 0.00 N ATOM 1122 CA TRP A 71 13.395 9.947 1.352 1.00 0.00 C ATOM 1123 C TRP A 71 12.721 9.420 2.646 1.00 0.00 C ATOM 1124 O TRP A 71 11.499 9.233 2.646 1.00 0.00 O ATOM 1125 CB TRP A 71 13.183 11.457 1.172 1.00 0.00 C ATOM 1126 CG TRP A 71 13.759 12.304 2.263 1.00 0.00 C ATOM 1127 CD1 TRP A 71 13.085 12.753 3.343 1.00 0.00 C ATOM 1128 CD2 TRP A 71 15.138 12.761 2.440 1.00 0.00 C ATOM 1129 NE1 TRP A 71 13.932 13.485 4.149 1.00 0.00 N ATOM 1130 CE2 TRP A 71 15.218 13.503 3.655 1.00 0.00 C ATOM 1131 CE3 TRP A 71 16.336 12.584 1.716 1.00 0.00 C ATOM 1132 CZ2 TRP A 71 16.421 14.041 4.131 1.00 0.00 C ATOM 1133 CZ3 TRP A 71 17.552 13.127 2.177 1.00 0.00 C ATOM 1134 CH2 TRP A 71 17.596 13.848 3.384 1.00 0.00 C ATOM 0 H TRP A 71 12.443 9.915 -0.498 1.00 0.00 H new ATOM 0 HA TRP A 71 14.457 9.734 1.473 1.00 0.00 H new ATOM 0 HB2 TRP A 71 13.624 11.761 0.223 1.00 0.00 H new ATOM 0 HB3 TRP A 71 12.113 11.654 1.104 1.00 0.00 H new ATOM 0 HD1 TRP A 71 12.041 12.567 3.545 1.00 0.00 H new ATOM 0 HE1 TRP A 71 13.642 13.956 5.006 1.00 0.00 H new ATOM 0 HE3 TRP A 71 16.321 12.023 0.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 16.445 14.595 5.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 18.455 12.989 1.601 1.00 0.00 H new ATOM 0 HH2 TRP A 71 18.533 14.253 3.737 1.00 0.00 H new ATOM 1145 N PRO A 72 13.478 9.184 3.744 1.00 0.00 N ATOM 1146 CA PRO A 72 12.965 8.487 4.925 1.00 0.00 C ATOM 1147 C PRO A 72 12.151 9.354 5.900 1.00 0.00 C ATOM 1148 O PRO A 72 11.123 8.882 6.391 1.00 0.00 O ATOM 1149 CB PRO A 72 14.207 7.918 5.621 1.00 0.00 C ATOM 1150 CG PRO A 72 15.317 8.900 5.248 1.00 0.00 C ATOM 1151 CD PRO A 72 14.929 9.325 3.836 1.00 0.00 C ATOM 0 HA PRO A 72 12.250 7.729 4.606 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.070 7.861 6.701 1.00 0.00 H new ATOM 0 HB3 PRO A 72 14.432 6.909 5.275 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.353 9.749 5.931 1.00 0.00 H new ATOM 0 HG3 PRO A 72 16.300 8.429 5.273 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.232 10.354 3.644 1.00 0.00 H new ATOM 0 HD3 PRO A 72 15.427 8.702 3.093 1.00 0.00 H new ATOM 1159 N THR A 73 12.592 10.588 6.203 1.00 0.00 N ATOM 1160 CA THR A 73 12.021 11.422 7.284 1.00 0.00 C ATOM 1161 C THR A 73 11.921 12.888 6.872 1.00 0.00 C ATOM 1162 O THR A 73 12.936 13.578 6.765 1.00 0.00 O ATOM 1163 CB THR A 73 12.838 11.298 8.582 1.00 0.00 C ATOM 1164 OG1 THR A 73 14.198 11.560 8.321 1.00 0.00 O ATOM 1165 CG2 THR A 73 12.728 9.918 9.229 1.00 0.00 C ATOM 0 H THR A 73 13.358 11.040 5.704 1.00 0.00 H new ATOM 0 HA THR A 73 11.014 11.048 7.470 1.00 0.00 H new ATOM 0 HB THR A 73 12.423 12.028 9.276 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.275 12.361 7.761 1.00 0.00 H new ATOM 0 HG21 THR A 73 13.326 9.894 10.140 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.686 9.713 9.474 1.00 0.00 H new ATOM 0 HG23 THR A 73 13.093 9.161 8.535 1.00 0.00 H new ATOM 1173 N PHE A 74 10.695 13.356 6.649 1.00 0.00 N ATOM 1174 CA PHE A 74 10.370 14.713 6.183 1.00 0.00 C ATOM 1175 C PHE A 74 10.616 15.783 7.279 1.00 0.00 C ATOM 1176 O PHE A 74 10.683 15.412 8.459 1.00 0.00 O ATOM 1177 CB PHE A 74 8.908 14.693 5.684 1.00 0.00 C ATOM 1178 CG PHE A 74 8.571 13.477 4.830 1.00 0.00 C ATOM 1179 CD1 PHE A 74 9.352 13.189 3.695 1.00 0.00 C ATOM 1180 CD2 PHE A 74 7.548 12.587 5.213 1.00 0.00 C ATOM 1181 CE1 PHE A 74 9.132 12.014 2.959 1.00 0.00 C ATOM 1182 CE2 PHE A 74 7.317 11.417 4.469 1.00 0.00 C ATOM 1183 CZ PHE A 74 8.115 11.126 3.348 1.00 0.00 C ATOM 0 H PHE A 74 9.864 12.782 6.792 1.00 0.00 H new ATOM 0 HA PHE A 74 11.032 15.000 5.366 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.239 14.719 6.544 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.718 15.597 5.105 1.00 0.00 H new ATOM 0 HD1 PHE A 74 10.126 13.877 3.388 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.941 12.804 6.079 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.743 11.793 2.096 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.526 10.741 4.758 1.00 0.00 H new ATOM 0 HZ PHE A 74 7.946 10.219 2.786 1.00 0.00 H new ATOM 1193 N PRO A 75 10.714 17.096 6.956 1.00 0.00 N ATOM 1194 CA PRO A 75 10.572 17.752 5.646 1.00 0.00 C ATOM 1195 C PRO A 75 11.574 17.325 4.568 1.00 0.00 C ATOM 1196 O PRO A 75 12.635 16.780 4.867 1.00 0.00 O ATOM 1197 CB PRO A 75 10.750 19.254 5.917 1.00 0.00 C ATOM 1198 CG PRO A 75 10.307 19.413 7.366 1.00 0.00 C ATOM 1199 CD PRO A 75 10.829 18.124 7.986 1.00 0.00 C ATOM 0 HA PRO A 75 9.601 17.468 5.239 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.785 19.566 5.778 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.142 19.858 5.243 1.00 0.00 H new ATOM 0 HG2 PRO A 75 10.740 20.298 7.833 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.224 19.503 7.457 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.864 18.239 8.307 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.250 17.855 8.869 1.00 0.00 H new ATOM 1207 N GLN A 76 11.255 17.653 3.309 1.00 0.00 N ATOM 1208 CA GLN A 76 12.165 17.527 2.164 1.00 0.00 C ATOM 1209 C GLN A 76 11.771 18.475 1.026 1.00 0.00 C ATOM 1210 O GLN A 76 10.613 18.875 0.901 1.00 0.00 O ATOM 1211 CB GLN A 76 12.287 16.060 1.684 1.00 0.00 C ATOM 1212 CG GLN A 76 10.994 15.387 1.178 1.00 0.00 C ATOM 1213 CD GLN A 76 10.736 15.529 -0.324 1.00 0.00 C ATOM 1214 OE1 GLN A 76 10.966 14.618 -1.104 1.00 0.00 O ATOM 1215 NE2 GLN A 76 10.228 16.637 -0.809 1.00 0.00 N ATOM 0 H GLN A 76 10.339 18.021 3.053 1.00 0.00 H new ATOM 0 HA GLN A 76 13.156 17.829 2.502 1.00 0.00 H new ATOM 0 HB2 GLN A 76 13.025 16.024 0.883 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.681 15.464 2.507 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.033 14.326 1.426 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.147 15.809 1.718 1.00 0.00 H new ATOM 0 HE21 GLN A 76 10.023 17.419 -0.187 1.00 0.00 H new ATOM 0 HE22 GLN A 76 10.038 16.716 -1.808 1.00 0.00 H new ATOM 1224 N LEU A 77 12.728 18.781 0.154 1.00 0.00 N ATOM 1225 CA LEU A 77 12.582 19.621 -1.034 1.00 0.00 C ATOM 1226 C LEU A 77 12.588 18.729 -2.293 1.00 0.00 C ATOM 1227 O LEU A 77 13.375 17.791 -2.388 1.00 0.00 O ATOM 1228 CB LEU A 77 13.758 20.621 -0.967 1.00 0.00 C ATOM 1229 CG LEU A 77 13.691 21.912 -1.809 1.00 0.00 C ATOM 1230 CD1 LEU A 77 15.004 22.661 -1.574 1.00 0.00 C ATOM 1231 CD2 LEU A 77 13.518 21.700 -3.311 1.00 0.00 C ATOM 0 H LEU A 77 13.680 18.430 0.262 1.00 0.00 H new ATOM 0 HA LEU A 77 11.642 20.170 -1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 77 13.882 20.914 0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.662 20.086 -1.257 1.00 0.00 H new ATOM 0 HG LEU A 77 12.804 22.459 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 77 15.004 23.586 -2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 77 15.105 22.895 -0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 77 15.840 22.037 -1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.482 22.667 -3.813 1.00 0.00 H new ATOM 0 HD22 LEU A 77 14.358 21.122 -3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.590 21.160 -3.498 1.00 0.00 H new ATOM 1243 N TYR A 78 11.722 19.028 -3.263 1.00 0.00 N ATOM 1244 CA TYR A 78 11.602 18.362 -4.571 1.00 0.00 C ATOM 1245 C TYR A 78 11.706 19.379 -5.725 1.00 0.00 C ATOM 1246 O TYR A 78 11.173 20.491 -5.615 1.00 0.00 O ATOM 1247 CB TYR A 78 10.248 17.631 -4.615 1.00 0.00 C ATOM 1248 CG TYR A 78 10.210 16.377 -5.467 1.00 0.00 C ATOM 1249 CD1 TYR A 78 9.929 16.454 -6.845 1.00 0.00 C ATOM 1250 CD2 TYR A 78 10.400 15.122 -4.860 1.00 0.00 C ATOM 1251 CE1 TYR A 78 9.821 15.273 -7.607 1.00 0.00 C ATOM 1252 CE2 TYR A 78 10.293 13.941 -5.617 1.00 0.00 C ATOM 1253 CZ TYR A 78 9.996 14.012 -6.993 1.00 0.00 C ATOM 1254 OH TYR A 78 9.854 12.869 -7.720 1.00 0.00 O ATOM 0 H TYR A 78 11.045 19.783 -3.155 1.00 0.00 H new ATOM 0 HA TYR A 78 12.418 17.650 -4.695 1.00 0.00 H new ATOM 0 HB2 TYR A 78 9.965 17.366 -3.596 1.00 0.00 H new ATOM 0 HB3 TYR A 78 9.493 18.324 -4.986 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.796 17.416 -7.317 1.00 0.00 H new ATOM 0 HD2 TYR A 78 10.629 15.065 -3.806 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.604 15.332 -8.663 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.438 12.981 -5.144 1.00 0.00 H new ATOM 0 HH TYR A 78 9.754 12.106 -7.113 1.00 0.00 H new ATOM 1264 N ILE A 79 12.378 19.031 -6.830 1.00 0.00 N ATOM 1265 CA ILE A 79 12.590 19.942 -7.972 1.00 0.00 C ATOM 1266 C ILE A 79 12.423 19.224 -9.320 1.00 0.00 C ATOM 1267 O ILE A 79 13.112 18.236 -9.584 1.00 0.00 O ATOM 1268 CB ILE A 79 13.967 20.666 -7.927 1.00 0.00 C ATOM 1269 CG1 ILE A 79 14.380 21.139 -6.517 1.00 0.00 C ATOM 1270 CG2 ILE A 79 13.887 21.880 -8.878 1.00 0.00 C ATOM 1271 CD1 ILE A 79 15.754 21.823 -6.436 1.00 0.00 C ATOM 0 H ILE A 79 12.793 18.108 -6.962 1.00 0.00 H new ATOM 0 HA ILE A 79 11.814 20.702 -7.880 1.00 0.00 H new ATOM 0 HB ILE A 79 14.730 19.950 -8.234 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.624 21.832 -6.147 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.379 20.279 -5.847 1.00 0.00 H new ATOM 0 HG21 ILE A 79 14.839 22.411 -8.870 1.00 0.00 H new ATOM 0 HG22 ILE A 79 13.671 21.536 -9.890 1.00 0.00 H new ATOM 0 HG23 ILE A 79 13.094 22.551 -8.546 1.00 0.00 H new ATOM 0 HD11 ILE A 79 15.953 22.119 -5.406 1.00 0.00 H new ATOM 0 HD12 ILE A 79 16.526 21.130 -6.770 1.00 0.00 H new ATOM 0 HD13 ILE A 79 15.759 22.706 -7.074 1.00 0.00 H new ATOM 1283 N ASP A 80 11.509 19.733 -10.157 1.00 0.00 N ATOM 1284 CA ASP A 80 11.251 19.428 -11.585 1.00 0.00 C ATOM 1285 C ASP A 80 10.804 17.987 -11.926 1.00 0.00 C ATOM 1286 O ASP A 80 10.102 17.777 -12.918 1.00 0.00 O ATOM 1287 CB ASP A 80 12.486 19.833 -12.412 1.00 0.00 C ATOM 1288 CG ASP A 80 12.187 19.905 -13.917 1.00 0.00 C ATOM 1289 OD1 ASP A 80 11.539 20.889 -14.351 1.00 0.00 O ATOM 1290 OD2 ASP A 80 12.640 19.006 -14.667 1.00 0.00 O ATOM 0 H ASP A 80 10.860 20.445 -9.822 1.00 0.00 H new ATOM 0 HA ASP A 80 10.374 20.019 -11.848 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.847 20.803 -12.070 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.288 19.115 -12.238 1.00 0.00 H new ATOM 1295 N GLY A 81 11.182 17.005 -11.104 1.00 0.00 N ATOM 1296 CA GLY A 81 10.953 15.571 -11.298 1.00 0.00 C ATOM 1297 C GLY A 81 11.782 14.647 -10.393 1.00 0.00 C ATOM 1298 O GLY A 81 11.647 13.430 -10.521 1.00 0.00 O ATOM 0 H GLY A 81 11.684 17.200 -10.238 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.896 15.363 -11.132 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.167 15.323 -12.337 1.00 0.00 H new ATOM 1302 N GLU A 82 12.615 15.183 -9.491 1.00 0.00 N ATOM 1303 CA GLU A 82 13.403 14.417 -8.516 1.00 0.00 C ATOM 1304 C GLU A 82 13.436 15.121 -7.148 1.00 0.00 C ATOM 1305 O GLU A 82 13.275 16.344 -7.051 1.00 0.00 O ATOM 1306 CB GLU A 82 14.849 14.219 -9.017 1.00 0.00 C ATOM 1307 CG GLU A 82 14.947 13.335 -10.267 1.00 0.00 C ATOM 1308 CD GLU A 82 16.413 13.054 -10.627 1.00 0.00 C ATOM 1309 OE1 GLU A 82 17.018 13.850 -11.385 1.00 0.00 O ATOM 1310 OE2 GLU A 82 16.970 12.031 -10.160 1.00 0.00 O ATOM 0 H GLU A 82 12.763 16.189 -9.417 1.00 0.00 H new ATOM 0 HA GLU A 82 12.921 13.446 -8.403 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.286 15.193 -9.235 1.00 0.00 H new ATOM 0 HB3 GLU A 82 15.444 13.774 -8.219 1.00 0.00 H new ATOM 0 HG2 GLU A 82 14.424 12.394 -10.094 1.00 0.00 H new ATOM 0 HG3 GLU A 82 14.451 13.826 -11.104 1.00 0.00 H new ATOM 1317 N PHE A 83 13.688 14.358 -6.078 1.00 0.00 N ATOM 1318 CA PHE A 83 13.921 14.926 -4.749 1.00 0.00 C ATOM 1319 C PHE A 83 15.339 15.522 -4.645 1.00 0.00 C ATOM 1320 O PHE A 83 16.286 15.039 -5.277 1.00 0.00 O ATOM 1321 CB PHE A 83 13.624 13.891 -3.652 1.00 0.00 C ATOM 1322 CG PHE A 83 14.787 12.975 -3.322 1.00 0.00 C ATOM 1323 CD1 PHE A 83 15.092 11.877 -4.151 1.00 0.00 C ATOM 1324 CD2 PHE A 83 15.603 13.263 -2.213 1.00 0.00 C ATOM 1325 CE1 PHE A 83 16.209 11.072 -3.867 1.00 0.00 C ATOM 1326 CE2 PHE A 83 16.729 12.469 -1.941 1.00 0.00 C ATOM 1327 CZ PHE A 83 17.030 11.369 -2.765 1.00 0.00 C ATOM 0 H PHE A 83 13.736 13.340 -6.110 1.00 0.00 H new ATOM 0 HA PHE A 83 13.227 15.752 -4.594 1.00 0.00 H new ATOM 0 HB2 PHE A 83 13.323 14.417 -2.746 1.00 0.00 H new ATOM 0 HB3 PHE A 83 12.775 13.282 -3.964 1.00 0.00 H new ATOM 0 HD1 PHE A 83 14.468 11.654 -5.004 1.00 0.00 H new ATOM 0 HD2 PHE A 83 15.363 14.096 -1.569 1.00 0.00 H new ATOM 0 HE1 PHE A 83 16.437 10.224 -4.496 1.00 0.00 H new ATOM 0 HE2 PHE A 83 17.364 12.703 -1.099 1.00 0.00 H new ATOM 0 HZ PHE A 83 17.891 10.753 -2.551 1.00 0.00 H new ATOM 1337 N PHE A 84 15.485 16.576 -3.836 1.00 0.00 N ATOM 1338 CA PHE A 84 16.758 17.230 -3.534 1.00 0.00 C ATOM 1339 C PHE A 84 17.340 16.756 -2.188 1.00 0.00 C ATOM 1340 O PHE A 84 18.534 16.466 -2.099 1.00 0.00 O ATOM 1341 CB PHE A 84 16.527 18.749 -3.557 1.00 0.00 C ATOM 1342 CG PHE A 84 17.785 19.562 -3.335 1.00 0.00 C ATOM 1343 CD1 PHE A 84 18.198 19.885 -2.028 1.00 0.00 C ATOM 1344 CD2 PHE A 84 18.571 19.962 -4.433 1.00 0.00 C ATOM 1345 CE1 PHE A 84 19.394 20.591 -1.821 1.00 0.00 C ATOM 1346 CE2 PHE A 84 19.762 20.679 -4.225 1.00 0.00 C ATOM 1347 CZ PHE A 84 20.176 20.989 -2.918 1.00 0.00 C ATOM 0 H PHE A 84 14.694 17.010 -3.359 1.00 0.00 H new ATOM 0 HA PHE A 84 17.500 16.960 -4.286 1.00 0.00 H new ATOM 0 HB2 PHE A 84 16.091 19.026 -4.517 1.00 0.00 H new ATOM 0 HB3 PHE A 84 15.798 19.008 -2.789 1.00 0.00 H new ATOM 0 HD1 PHE A 84 17.594 19.589 -1.183 1.00 0.00 H new ATOM 0 HD2 PHE A 84 18.258 19.717 -5.437 1.00 0.00 H new ATOM 0 HE1 PHE A 84 19.713 20.828 -0.817 1.00 0.00 H new ATOM 0 HE2 PHE A 84 20.359 20.992 -5.069 1.00 0.00 H new ATOM 0 HZ PHE A 84 21.095 21.533 -2.757 1.00 0.00 H new ATOM 1357 N GLY A 85 16.493 16.649 -1.151 1.00 0.00 N ATOM 1358 CA GLY A 85 16.863 16.223 0.208 1.00 0.00 C ATOM 1359 C GLY A 85 16.220 17.076 1.302 1.00 0.00 C ATOM 1360 O GLY A 85 15.276 17.824 1.043 1.00 0.00 O ATOM 0 H GLY A 85 15.500 16.864 -1.239 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.570 15.183 0.348 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.947 16.266 0.313 1.00 0.00 H new ATOM 1364 N GLY A 86 16.722 16.954 2.535 1.00 0.00 N ATOM 1365 CA GLY A 86 16.247 17.707 3.706 1.00 0.00 C ATOM 1366 C GLY A 86 16.725 19.161 3.716 1.00 0.00 C ATOM 1367 O GLY A 86 17.737 19.500 3.105 1.00 0.00 O ATOM 0 H GLY A 86 17.487 16.316 2.754 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.157 17.688 3.725 1.00 0.00 H new ATOM 0 HA3 GLY A 86 16.591 17.211 4.614 1.00 0.00 H new ATOM 1371 N CYS A 87 16.015 20.031 4.443 1.00 0.00 N ATOM 1372 CA CYS A 87 16.242 21.486 4.429 1.00 0.00 C ATOM 1373 C CYS A 87 17.650 21.900 4.911 1.00 0.00 C ATOM 1374 O CYS A 87 18.231 22.843 4.374 1.00 0.00 O ATOM 1375 CB CYS A 87 15.124 22.144 5.260 1.00 0.00 C ATOM 1376 SG CYS A 87 13.513 21.813 4.482 1.00 0.00 S ATOM 0 H CYS A 87 15.259 19.745 5.065 1.00 0.00 H new ATOM 0 HA CYS A 87 16.204 21.837 3.398 1.00 0.00 H new ATOM 0 HB2 CYS A 87 15.135 21.754 6.278 1.00 0.00 H new ATOM 0 HB3 CYS A 87 15.292 23.219 5.329 1.00 0.00 H new ATOM 0 HG CYS A 87 12.570 22.366 5.185 1.00 0.00 H new ATOM 1382 N ASP A 88 18.241 21.163 5.854 1.00 0.00 N ATOM 1383 CA ASP A 88 19.629 21.378 6.290 1.00 0.00 C ATOM 1384 C ASP A 88 20.633 21.196 5.135 1.00 0.00 C ATOM 1385 O ASP A 88 21.552 22.001 4.982 1.00 0.00 O ATOM 1386 CB ASP A 88 19.940 20.416 7.442 1.00 0.00 C ATOM 1387 CG ASP A 88 21.382 20.577 7.951 1.00 0.00 C ATOM 1388 OD1 ASP A 88 21.671 21.600 8.613 1.00 0.00 O ATOM 1389 OD2 ASP A 88 22.208 19.666 7.705 1.00 0.00 O ATOM 0 H ASP A 88 17.773 20.398 6.340 1.00 0.00 H new ATOM 0 HA ASP A 88 19.732 22.408 6.630 1.00 0.00 H new ATOM 0 HB2 ASP A 88 19.244 20.594 8.262 1.00 0.00 H new ATOM 0 HB3 ASP A 88 19.785 19.390 7.110 1.00 0.00 H new ATOM 1394 N ILE A 89 20.408 20.205 4.258 1.00 0.00 N ATOM 1395 CA ILE A 89 21.213 20.009 3.036 1.00 0.00 C ATOM 1396 C ILE A 89 21.061 21.229 2.119 1.00 0.00 C ATOM 1397 O ILE A 89 22.062 21.736 1.620 1.00 0.00 O ATOM 1398 CB ILE A 89 20.849 18.685 2.311 1.00 0.00 C ATOM 1399 CG1 ILE A 89 21.003 17.474 3.266 1.00 0.00 C ATOM 1400 CG2 ILE A 89 21.728 18.506 1.054 1.00 0.00 C ATOM 1401 CD1 ILE A 89 20.638 16.121 2.645 1.00 0.00 C ATOM 0 H ILE A 89 19.664 19.516 4.373 1.00 0.00 H new ATOM 0 HA ILE A 89 22.262 19.919 3.319 1.00 0.00 H new ATOM 0 HB ILE A 89 19.806 18.737 2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 89 22.035 17.432 3.615 1.00 0.00 H new ATOM 0 HG13 ILE A 89 20.376 17.637 4.143 1.00 0.00 H new ATOM 0 HG21 ILE A 89 21.463 17.574 0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 89 21.564 19.342 0.374 1.00 0.00 H new ATOM 0 HG23 ILE A 89 22.778 18.476 1.345 1.00 0.00 H new ATOM 0 HD11 ILE A 89 20.776 15.332 3.385 1.00 0.00 H new ATOM 0 HD12 ILE A 89 19.597 16.138 2.322 1.00 0.00 H new ATOM 0 HD13 ILE A 89 21.281 15.929 1.786 1.00 0.00 H new ATOM 1413 N THR A 90 19.839 21.758 1.966 1.00 0.00 N ATOM 1414 CA THR A 90 19.552 22.970 1.177 1.00 0.00 C ATOM 1415 C THR A 90 20.251 24.199 1.747 1.00 0.00 C ATOM 1416 O THR A 90 20.829 24.960 0.979 1.00 0.00 O ATOM 1417 CB THR A 90 18.046 23.207 1.074 1.00 0.00 C ATOM 1418 OG1 THR A 90 17.451 21.999 0.666 1.00 0.00 O ATOM 1419 CG2 THR A 90 17.718 24.299 0.055 1.00 0.00 C ATOM 0 H THR A 90 19.007 21.351 2.393 1.00 0.00 H new ATOM 0 HA THR A 90 19.948 22.804 0.175 1.00 0.00 H new ATOM 0 HB THR A 90 17.667 23.533 2.042 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.966 21.614 -0.074 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.638 24.441 0.008 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.194 25.232 0.356 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.088 24.003 -0.927 1.00 0.00 H new ATOM 1427 N VAL A 91 20.253 24.381 3.069 1.00 0.00 N ATOM 1428 CA VAL A 91 20.987 25.483 3.723 1.00 0.00 C ATOM 1429 C VAL A 91 22.502 25.384 3.460 1.00 0.00 C ATOM 1430 O VAL A 91 23.129 26.397 3.148 1.00 0.00 O ATOM 1431 CB VAL A 91 20.680 25.550 5.239 1.00 0.00 C ATOM 1432 CG1 VAL A 91 21.587 26.539 5.992 1.00 0.00 C ATOM 1433 CG2 VAL A 91 19.222 25.996 5.462 1.00 0.00 C ATOM 0 H VAL A 91 19.751 23.776 3.719 1.00 0.00 H new ATOM 0 HA VAL A 91 20.637 26.415 3.279 1.00 0.00 H new ATOM 0 HB VAL A 91 20.859 24.548 5.628 1.00 0.00 H new ATOM 0 HG11 VAL A 91 21.324 26.541 7.050 1.00 0.00 H new ATOM 0 HG12 VAL A 91 22.628 26.237 5.878 1.00 0.00 H new ATOM 0 HG13 VAL A 91 21.453 27.540 5.582 1.00 0.00 H new ATOM 0 HG21 VAL A 91 19.015 26.040 6.531 1.00 0.00 H new ATOM 0 HG22 VAL A 91 19.072 26.982 5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 91 18.547 25.282 4.991 1.00 0.00 H new ATOM 1443 N GLU A 92 23.095 24.182 3.521 1.00 0.00 N ATOM 1444 CA GLU A 92 24.509 23.958 3.171 1.00 0.00 C ATOM 1445 C GLU A 92 24.777 24.156 1.666 1.00 0.00 C ATOM 1446 O GLU A 92 25.796 24.739 1.284 1.00 0.00 O ATOM 1447 CB GLU A 92 24.941 22.545 3.596 1.00 0.00 C ATOM 1448 CG GLU A 92 25.022 22.340 5.118 1.00 0.00 C ATOM 1449 CD GLU A 92 26.151 23.157 5.774 1.00 0.00 C ATOM 1450 OE1 GLU A 92 27.335 22.980 5.401 1.00 0.00 O ATOM 1451 OE2 GLU A 92 25.860 23.974 6.678 1.00 0.00 O ATOM 0 H GLU A 92 22.608 23.335 3.815 1.00 0.00 H new ATOM 0 HA GLU A 92 25.097 24.702 3.709 1.00 0.00 H new ATOM 0 HB2 GLU A 92 24.239 21.822 3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 92 25.916 22.329 3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 92 24.069 22.619 5.568 1.00 0.00 H new ATOM 0 HG3 GLU A 92 25.176 21.282 5.329 1.00 0.00 H new ATOM 1458 N ALA A 93 23.864 23.717 0.797 1.00 0.00 N ATOM 1459 CA ALA A 93 23.962 23.851 -0.653 1.00 0.00 C ATOM 1460 C ALA A 93 23.859 25.312 -1.120 1.00 0.00 C ATOM 1461 O ALA A 93 24.567 25.703 -2.043 1.00 0.00 O ATOM 1462 CB ALA A 93 22.882 22.964 -1.282 1.00 0.00 C ATOM 0 H ALA A 93 23.011 23.244 1.095 1.00 0.00 H new ATOM 0 HA ALA A 93 24.948 23.522 -0.981 1.00 0.00 H new ATOM 0 HB1 ALA A 93 22.932 23.045 -2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 93 23.045 21.927 -0.987 1.00 0.00 H new ATOM 0 HB3 ALA A 93 21.900 23.288 -0.939 1.00 0.00 H new ATOM 1468 N TYR A 94 23.027 26.133 -0.482 1.00 0.00 N ATOM 1469 CA TYR A 94 22.953 27.579 -0.725 1.00 0.00 C ATOM 1470 C TYR A 94 24.237 28.304 -0.287 1.00 0.00 C ATOM 1471 O TYR A 94 24.757 29.152 -1.011 1.00 0.00 O ATOM 1472 CB TYR A 94 21.732 28.127 0.023 1.00 0.00 C ATOM 1473 CG TYR A 94 21.536 29.623 -0.132 1.00 0.00 C ATOM 1474 CD1 TYR A 94 21.165 30.158 -1.382 1.00 0.00 C ATOM 1475 CD2 TYR A 94 21.730 30.481 0.968 1.00 0.00 C ATOM 1476 CE1 TYR A 94 20.960 31.545 -1.527 1.00 0.00 C ATOM 1477 CE2 TYR A 94 21.533 31.869 0.827 1.00 0.00 C ATOM 1478 CZ TYR A 94 21.141 32.404 -0.420 1.00 0.00 C ATOM 1479 OH TYR A 94 20.934 33.744 -0.544 1.00 0.00 O ATOM 0 H TYR A 94 22.373 25.810 0.231 1.00 0.00 H new ATOM 0 HA TYR A 94 22.852 27.757 -1.796 1.00 0.00 H new ATOM 0 HB2 TYR A 94 20.839 27.615 -0.335 1.00 0.00 H new ATOM 0 HB3 TYR A 94 21.832 27.891 1.083 1.00 0.00 H new ATOM 0 HD1 TYR A 94 21.037 29.503 -2.231 1.00 0.00 H new ATOM 0 HD2 TYR A 94 22.031 30.074 1.922 1.00 0.00 H new ATOM 0 HE1 TYR A 94 20.665 31.951 -2.483 1.00 0.00 H new ATOM 0 HE2 TYR A 94 21.682 32.524 1.673 1.00 0.00 H new ATOM 0 HH TYR A 94 21.103 34.182 0.316 1.00 0.00 H new ATOM 1489 N LYS A 95 24.787 27.924 0.870 1.00 0.00 N ATOM 1490 CA LYS A 95 26.022 28.490 1.434 1.00 0.00 C ATOM 1491 C LYS A 95 27.273 28.122 0.611 1.00 0.00 C ATOM 1492 O LYS A 95 28.185 28.936 0.467 1.00 0.00 O ATOM 1493 CB LYS A 95 26.098 28.012 2.895 1.00 0.00 C ATOM 1494 CG LYS A 95 27.285 28.598 3.678 1.00 0.00 C ATOM 1495 CD LYS A 95 27.184 28.315 5.186 1.00 0.00 C ATOM 1496 CE LYS A 95 27.086 26.809 5.479 1.00 0.00 C ATOM 1497 NZ LYS A 95 26.995 26.520 6.932 1.00 0.00 N ATOM 0 H LYS A 95 24.378 27.197 1.457 1.00 0.00 H new ATOM 0 HA LYS A 95 25.997 29.579 1.397 1.00 0.00 H new ATOM 0 HB2 LYS A 95 25.172 28.279 3.404 1.00 0.00 H new ATOM 0 HB3 LYS A 95 26.167 26.924 2.909 1.00 0.00 H new ATOM 0 HG2 LYS A 95 28.214 28.178 3.293 1.00 0.00 H new ATOM 0 HG3 LYS A 95 27.330 29.675 3.515 1.00 0.00 H new ATOM 0 HD2 LYS A 95 28.056 28.728 5.693 1.00 0.00 H new ATOM 0 HD3 LYS A 95 26.309 28.822 5.593 1.00 0.00 H new ATOM 0 HE2 LYS A 95 26.211 26.400 4.974 1.00 0.00 H new ATOM 0 HE3 LYS A 95 27.958 26.303 5.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 26.583 25.575 7.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 27.946 26.550 7.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 26.392 27.232 7.391 1.00 0.00 H new ATOM 1511 N SER A 96 27.308 26.916 0.039 1.00 0.00 N ATOM 1512 CA SER A 96 28.411 26.429 -0.815 1.00 0.00 C ATOM 1513 C SER A 96 28.234 26.740 -2.320 1.00 0.00 C ATOM 1514 O SER A 96 29.195 26.616 -3.085 1.00 0.00 O ATOM 1515 CB SER A 96 28.595 24.916 -0.596 1.00 0.00 C ATOM 1516 OG SER A 96 27.388 24.196 -0.791 1.00 0.00 O ATOM 0 H SER A 96 26.560 26.233 0.154 1.00 0.00 H new ATOM 0 HA SER A 96 29.305 26.974 -0.510 1.00 0.00 H new ATOM 0 HB2 SER A 96 29.355 24.541 -1.282 1.00 0.00 H new ATOM 0 HB3 SER A 96 28.963 24.739 0.415 1.00 0.00 H new ATOM 0 HG SER A 96 26.881 24.174 0.047 1.00 0.00 H new ATOM 1522 N GLY A 97 27.036 27.162 -2.759 1.00 0.00 N ATOM 1523 CA GLY A 97 26.718 27.539 -4.150 1.00 0.00 C ATOM 1524 C GLY A 97 26.170 26.395 -5.014 1.00 0.00 C ATOM 1525 O GLY A 97 25.821 26.612 -6.175 1.00 0.00 O ATOM 0 H GLY A 97 26.234 27.254 -2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 97 25.987 28.347 -4.135 1.00 0.00 H new ATOM 0 HA3 GLY A 97 27.619 27.932 -4.621 1.00 0.00 H new ATOM 1529 N GLU A 98 26.035 25.192 -4.452 1.00 0.00 N ATOM 1530 CA GLU A 98 25.509 23.998 -5.125 1.00 0.00 C ATOM 1531 C GLU A 98 24.022 24.152 -5.484 1.00 0.00 C ATOM 1532 O GLU A 98 23.594 23.733 -6.563 1.00 0.00 O ATOM 1533 CB GLU A 98 25.700 22.770 -4.214 1.00 0.00 C ATOM 1534 CG GLU A 98 27.161 22.477 -3.836 1.00 0.00 C ATOM 1535 CD GLU A 98 27.995 22.043 -5.049 1.00 0.00 C ATOM 1536 OE1 GLU A 98 27.877 20.867 -5.472 1.00 0.00 O ATOM 1537 OE2 GLU A 98 28.793 22.859 -5.570 1.00 0.00 O ATOM 0 H GLU A 98 26.297 25.014 -3.483 1.00 0.00 H new ATOM 0 HA GLU A 98 26.062 23.865 -6.055 1.00 0.00 H new ATOM 0 HB2 GLU A 98 25.124 22.918 -3.300 1.00 0.00 H new ATOM 0 HB3 GLU A 98 25.285 21.895 -4.714 1.00 0.00 H new ATOM 0 HG2 GLU A 98 27.605 23.367 -3.391 1.00 0.00 H new ATOM 0 HG3 GLU A 98 27.189 21.694 -3.078 1.00 0.00 H new ATOM 1544 N LEU A 99 23.235 24.802 -4.614 1.00 0.00 N ATOM 1545 CA LEU A 99 21.807 25.054 -4.857 1.00 0.00 C ATOM 1546 C LEU A 99 21.607 26.016 -6.029 1.00 0.00 C ATOM 1547 O LEU A 99 20.742 25.778 -6.867 1.00 0.00 O ATOM 1548 CB LEU A 99 21.154 25.596 -3.570 1.00 0.00 C ATOM 1549 CG LEU A 99 19.619 25.748 -3.653 1.00 0.00 C ATOM 1550 CD1 LEU A 99 18.919 24.387 -3.780 1.00 0.00 C ATOM 1551 CD2 LEU A 99 19.131 26.482 -2.399 1.00 0.00 C ATOM 0 H LEU A 99 23.570 25.168 -3.723 1.00 0.00 H new ATOM 0 HA LEU A 99 21.323 24.115 -5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 99 21.397 24.928 -2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 99 21.592 26.566 -3.335 1.00 0.00 H new ATOM 0 HG LEU A 99 19.370 26.321 -4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 99 17.841 24.536 -3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 99 19.263 23.884 -4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 99 19.156 23.773 -2.911 1.00 0.00 H new ATOM 0 HD21 LEU A 99 18.048 26.597 -2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 99 19.399 25.906 -1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 99 19.599 27.465 -2.348 1.00 0.00 H new ATOM 1563 N GLN A 100 22.425 27.071 -6.120 1.00 0.00 N ATOM 1564 CA GLN A 100 22.393 28.018 -7.240 1.00 0.00 C ATOM 1565 C GLN A 100 22.622 27.289 -8.568 1.00 0.00 C ATOM 1566 O GLN A 100 21.829 27.465 -9.491 1.00 0.00 O ATOM 1567 CB GLN A 100 23.433 29.127 -6.992 1.00 0.00 C ATOM 1568 CG GLN A 100 23.438 30.205 -8.090 1.00 0.00 C ATOM 1569 CD GLN A 100 24.425 31.334 -7.781 1.00 0.00 C ATOM 1570 OE1 GLN A 100 25.499 31.437 -8.365 1.00 0.00 O ATOM 1571 NE2 GLN A 100 24.117 32.216 -6.849 1.00 0.00 N ATOM 0 H GLN A 100 23.130 27.292 -5.417 1.00 0.00 H new ATOM 0 HA GLN A 100 21.410 28.484 -7.307 1.00 0.00 H new ATOM 0 HB2 GLN A 100 23.231 29.598 -6.030 1.00 0.00 H new ATOM 0 HB3 GLN A 100 24.425 28.679 -6.926 1.00 0.00 H new ATOM 0 HG2 GLN A 100 23.697 29.748 -9.045 1.00 0.00 H new ATOM 0 HG3 GLN A 100 22.435 30.619 -8.196 1.00 0.00 H new ATOM 0 HE21 GLN A 100 23.228 32.145 -6.354 1.00 0.00 H new ATOM 0 HE22 GLN A 100 24.768 32.969 -6.624 1.00 0.00 H new ATOM 1580 N GLU A 101 23.636 26.418 -8.643 1.00 0.00 N ATOM 1581 CA GLU A 101 23.895 25.600 -9.829 1.00 0.00 C ATOM 1582 C GLU A 101 22.720 24.654 -10.144 1.00 0.00 C ATOM 1583 O GLU A 101 22.286 24.588 -11.293 1.00 0.00 O ATOM 1584 CB GLU A 101 25.215 24.826 -9.661 1.00 0.00 C ATOM 1585 CG GLU A 101 25.633 24.127 -10.961 1.00 0.00 C ATOM 1586 CD GLU A 101 27.000 23.444 -10.809 1.00 0.00 C ATOM 1587 OE1 GLU A 101 28.040 24.112 -11.028 1.00 0.00 O ATOM 1588 OE2 GLU A 101 27.045 22.231 -10.485 1.00 0.00 O ATOM 0 H GLU A 101 24.298 26.262 -7.883 1.00 0.00 H new ATOM 0 HA GLU A 101 23.993 26.268 -10.685 1.00 0.00 H new ATOM 0 HB2 GLU A 101 26.002 25.512 -9.348 1.00 0.00 H new ATOM 0 HB3 GLU A 101 25.104 24.085 -8.869 1.00 0.00 H new ATOM 0 HG2 GLU A 101 24.882 23.387 -11.237 1.00 0.00 H new ATOM 0 HG3 GLU A 101 25.675 24.855 -11.771 1.00 0.00 H new ATOM 1595 N GLN A 102 22.167 23.947 -9.149 1.00 0.00 N ATOM 1596 CA GLN A 102 21.060 23.011 -9.369 1.00 0.00 C ATOM 1597 C GLN A 102 19.750 23.721 -9.753 1.00 0.00 C ATOM 1598 O GLN A 102 19.040 23.236 -10.631 1.00 0.00 O ATOM 1599 CB GLN A 102 20.869 22.132 -8.118 1.00 0.00 C ATOM 1600 CG GLN A 102 19.738 21.089 -8.234 1.00 0.00 C ATOM 1601 CD GLN A 102 19.923 20.093 -9.383 1.00 0.00 C ATOM 1602 OE1 GLN A 102 20.486 19.018 -9.227 1.00 0.00 O ATOM 1603 NE2 GLN A 102 19.463 20.411 -10.577 1.00 0.00 N ATOM 0 H GLN A 102 22.472 24.008 -8.178 1.00 0.00 H new ATOM 0 HA GLN A 102 21.323 22.380 -10.218 1.00 0.00 H new ATOM 0 HB2 GLN A 102 21.804 21.613 -7.908 1.00 0.00 H new ATOM 0 HB3 GLN A 102 20.664 22.778 -7.264 1.00 0.00 H new ATOM 0 HG2 GLN A 102 19.669 20.537 -7.296 1.00 0.00 H new ATOM 0 HG3 GLN A 102 18.790 21.610 -8.368 1.00 0.00 H new ATOM 0 HE21 GLN A 102 18.992 21.304 -10.721 1.00 0.00 H new ATOM 0 HE22 GLN A 102 19.578 19.764 -11.357 1.00 0.00 H new ATOM 1612 N VAL A 103 19.422 24.854 -9.130 1.00 0.00 N ATOM 1613 CA VAL A 103 18.220 25.641 -9.457 1.00 0.00 C ATOM 1614 C VAL A 103 18.368 26.296 -10.836 1.00 0.00 C ATOM 1615 O VAL A 103 17.416 26.276 -11.609 1.00 0.00 O ATOM 1616 CB VAL A 103 17.897 26.674 -8.354 1.00 0.00 C ATOM 1617 CG1 VAL A 103 16.789 27.667 -8.754 1.00 0.00 C ATOM 1618 CG2 VAL A 103 17.434 25.947 -7.078 1.00 0.00 C ATOM 0 H VAL A 103 19.982 25.258 -8.380 1.00 0.00 H new ATOM 0 HA VAL A 103 17.369 24.962 -9.501 1.00 0.00 H new ATOM 0 HB VAL A 103 18.816 27.236 -8.190 1.00 0.00 H new ATOM 0 HG11 VAL A 103 16.612 28.364 -7.935 1.00 0.00 H new ATOM 0 HG12 VAL A 103 17.099 28.220 -9.641 1.00 0.00 H new ATOM 0 HG13 VAL A 103 15.871 27.120 -8.970 1.00 0.00 H new ATOM 0 HG21 VAL A 103 17.208 26.680 -6.304 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.541 25.362 -7.296 1.00 0.00 H new ATOM 0 HG23 VAL A 103 18.226 25.284 -6.730 1.00 0.00 H new ATOM 1628 N GLU A 104 19.555 26.802 -11.196 1.00 0.00 N ATOM 1629 CA GLU A 104 19.837 27.258 -12.561 1.00 0.00 C ATOM 1630 C GLU A 104 19.650 26.116 -13.574 1.00 0.00 C ATOM 1631 O GLU A 104 18.988 26.299 -14.595 1.00 0.00 O ATOM 1632 CB GLU A 104 21.247 27.862 -12.635 1.00 0.00 C ATOM 1633 CG GLU A 104 21.542 28.472 -14.008 1.00 0.00 C ATOM 1634 CD GLU A 104 22.908 29.171 -14.016 1.00 0.00 C ATOM 1635 OE1 GLU A 104 22.975 30.381 -13.693 1.00 0.00 O ATOM 1636 OE2 GLU A 104 23.925 28.518 -14.353 1.00 0.00 O ATOM 0 H GLU A 104 20.341 26.906 -10.554 1.00 0.00 H new ATOM 0 HA GLU A 104 19.123 28.038 -12.826 1.00 0.00 H new ATOM 0 HB2 GLU A 104 21.353 28.629 -11.868 1.00 0.00 H new ATOM 0 HB3 GLU A 104 21.984 27.089 -12.417 1.00 0.00 H new ATOM 0 HG2 GLU A 104 21.524 27.691 -14.768 1.00 0.00 H new ATOM 0 HG3 GLU A 104 20.762 29.187 -14.268 1.00 0.00 H new ATOM 1643 N LYS A 105 20.134 24.905 -13.277 1.00 0.00 N ATOM 1644 CA LYS A 105 19.911 23.727 -14.123 1.00 0.00 C ATOM 1645 C LYS A 105 18.425 23.337 -14.222 1.00 0.00 C ATOM 1646 O LYS A 105 17.959 23.011 -15.314 1.00 0.00 O ATOM 1647 CB LYS A 105 20.791 22.563 -13.619 1.00 0.00 C ATOM 1648 CG LYS A 105 22.266 22.724 -14.029 1.00 0.00 C ATOM 1649 CD LYS A 105 22.475 22.332 -15.498 1.00 0.00 C ATOM 1650 CE LYS A 105 23.795 22.887 -16.051 1.00 0.00 C ATOM 1651 NZ LYS A 105 23.855 22.749 -17.531 1.00 0.00 N ATOM 0 H LYS A 105 20.691 24.714 -12.444 1.00 0.00 H new ATOM 0 HA LYS A 105 20.207 23.976 -15.142 1.00 0.00 H new ATOM 0 HB2 LYS A 105 20.723 22.503 -12.533 1.00 0.00 H new ATOM 0 HB3 LYS A 105 20.407 21.623 -14.015 1.00 0.00 H new ATOM 0 HG2 LYS A 105 22.579 23.757 -13.877 1.00 0.00 H new ATOM 0 HG3 LYS A 105 22.894 22.103 -13.390 1.00 0.00 H new ATOM 0 HD2 LYS A 105 22.470 21.246 -15.589 1.00 0.00 H new ATOM 0 HD3 LYS A 105 21.644 22.706 -16.096 1.00 0.00 H new ATOM 0 HE2 LYS A 105 23.895 23.937 -15.776 1.00 0.00 H new ATOM 0 HE3 LYS A 105 24.634 22.358 -15.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 24.672 23.279 -17.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 23.953 21.745 -17.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 22.982 23.127 -17.951 1.00 0.00 H new ATOM 1665 N ALA A 106 17.657 23.433 -13.132 1.00 0.00 N ATOM 1666 CA ALA A 106 16.213 23.176 -13.141 1.00 0.00 C ATOM 1667 C ALA A 106 15.425 24.202 -13.981 1.00 0.00 C ATOM 1668 O ALA A 106 14.464 23.828 -14.654 1.00 0.00 O ATOM 1669 CB ALA A 106 15.720 23.148 -11.691 1.00 0.00 C ATOM 0 H ALA A 106 18.021 23.692 -12.215 1.00 0.00 H new ATOM 0 HA ALA A 106 16.035 22.213 -13.619 1.00 0.00 H new ATOM 0 HB1 ALA A 106 14.647 22.958 -11.675 1.00 0.00 H new ATOM 0 HB2 ALA A 106 16.237 22.358 -11.146 1.00 0.00 H new ATOM 0 HB3 ALA A 106 15.925 24.108 -11.218 1.00 0.00 H new ATOM 1675 N MET A 107 15.834 25.477 -13.971 1.00 0.00 N ATOM 1676 CA MET A 107 15.161 26.574 -14.693 1.00 0.00 C ATOM 1677 C MET A 107 15.594 26.678 -16.166 1.00 0.00 C ATOM 1678 O MET A 107 14.737 26.782 -17.046 1.00 0.00 O ATOM 1679 CB MET A 107 15.426 27.910 -13.971 1.00 0.00 C ATOM 1680 CG MET A 107 14.801 27.969 -12.570 1.00 0.00 C ATOM 1681 SD MET A 107 12.991 27.913 -12.509 1.00 0.00 S ATOM 1682 CE MET A 107 12.795 27.869 -10.708 1.00 0.00 C ATOM 0 H MET A 107 16.657 25.785 -13.453 1.00 0.00 H new ATOM 0 HA MET A 107 14.094 26.350 -14.693 1.00 0.00 H new ATOM 0 HB2 MET A 107 16.502 28.066 -13.890 1.00 0.00 H new ATOM 0 HB3 MET A 107 15.030 28.727 -14.574 1.00 0.00 H new ATOM 0 HG2 MET A 107 15.191 27.137 -11.984 1.00 0.00 H new ATOM 0 HG3 MET A 107 15.134 28.886 -12.083 1.00 0.00 H new ATOM 0 HE1 MET A 107 11.736 27.796 -10.459 1.00 0.00 H new ATOM 0 HE2 MET A 107 13.323 27.005 -10.306 1.00 0.00 H new ATOM 0 HE3 MET A 107 13.207 28.780 -10.275 1.00 0.00 H new ATOM 1692 N CYS A 108 16.905 26.651 -16.436 1.00 0.00 N ATOM 1693 CA CYS A 108 17.509 26.945 -17.744 1.00 0.00 C ATOM 1694 C CYS A 108 18.114 25.717 -18.462 1.00 0.00 C ATOM 1695 O CYS A 108 18.158 25.710 -19.696 1.00 0.00 O ATOM 1696 CB CYS A 108 18.592 28.018 -17.529 1.00 0.00 C ATOM 1697 SG CYS A 108 17.852 29.542 -16.862 1.00 0.00 S ATOM 0 H CYS A 108 17.599 26.416 -15.726 1.00 0.00 H new ATOM 0 HA CYS A 108 16.712 27.292 -18.402 1.00 0.00 H new ATOM 0 HB2 CYS A 108 19.352 27.644 -16.843 1.00 0.00 H new ATOM 0 HB3 CYS A 108 19.093 28.232 -18.473 1.00 0.00 H new ATOM 0 HG CYS A 108 18.781 30.434 -16.685 1.00 0.00 H new ATOM 1703 N SER A 109 18.571 24.703 -17.708 1.00 0.00 N ATOM 1704 CA SER A 109 19.132 23.414 -18.188 1.00 0.00 C ATOM 1705 C SER A 109 20.344 23.561 -19.128 1.00 0.00 C ATOM 1706 O SER A 109 20.223 23.347 -20.357 1.00 0.00 O ATOM 1707 CB SER A 109 18.030 22.534 -18.791 1.00 0.00 C ATOM 1708 OG SER A 109 17.036 22.319 -17.808 1.00 0.00 O ATOM 1709 OXT SER A 109 21.450 23.832 -18.604 1.00 0.00 O ATOM 0 H SER A 109 18.561 24.757 -16.689 1.00 0.00 H new ATOM 0 HA SER A 109 19.532 22.910 -17.308 1.00 0.00 H new ATOM 0 HB2 SER A 109 17.597 23.017 -19.667 1.00 0.00 H new ATOM 0 HB3 SER A 109 18.445 21.583 -19.124 1.00 0.00 H new ATOM 0 HG SER A 109 17.386 22.570 -16.928 1.00 0.00 H new