USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 335 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 NoAdj-H: A 32 HIS HD1 : A 32 HIS ND1 : A 38 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 151:sc= -4.82! (180deg=-7.76!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= -0.113 USER MOD Single : A 8 LYS NZ :NH3+ 146:sc= -0.0323 (180deg=-0.687) USER MOD Single : A 13 LYS NZ :NH3+ -167:sc= 0.588 (180deg=0.427) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -7.44! C(o=-7.4!,f=-16!) USER MOD Single : A 31 LYS NZ :NH3+ 160:sc=-0.00555 (180deg=-0.393) USER MOD Single : A 33 LYS NZ :NH3+ -167:sc= -0.0588 (180deg=-0.354) USER MOD Single : A 34 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.63) USER MOD Single : A 36 GLN : amide:sc= 0.0105 K(o=0.011,f=0.53) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.940 7.192 10.258 1.00 0.00 N ATOM 2 CA MET A 1 28.381 6.919 10.522 1.00 0.00 C ATOM 3 C MET A 1 29.247 7.558 9.431 1.00 0.00 C ATOM 4 O MET A 1 29.623 6.918 8.468 1.00 0.00 O ATOM 5 CB MET A 1 28.509 5.391 10.494 1.00 0.00 C ATOM 6 CG MET A 1 29.912 4.981 10.950 1.00 0.00 C ATOM 7 SD MET A 1 29.930 3.210 11.327 1.00 0.00 S ATOM 8 CE MET A 1 30.346 2.618 9.667 1.00 0.00 C ATOM 0 H1 MET A 1 26.362 6.754 11.003 1.00 0.00 H new ATOM 0 H2 MET A 1 26.777 8.219 10.251 1.00 0.00 H new ATOM 0 H3 MET A 1 26.675 6.793 9.335 1.00 0.00 H new ATOM 0 HA MET A 1 28.715 7.334 11.473 1.00 0.00 H new ATOM 0 HB2 MET A 1 27.759 4.942 11.145 1.00 0.00 H new ATOM 0 HB3 MET A 1 28.321 5.019 9.487 1.00 0.00 H new ATOM 0 HG2 MET A 1 30.640 5.205 10.170 1.00 0.00 H new ATOM 0 HG3 MET A 1 30.202 5.554 11.831 1.00 0.00 H new ATOM 0 HE1 MET A 1 30.896 1.680 9.742 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.430 2.457 9.098 1.00 0.00 H new ATOM 0 HE3 MET A 1 30.962 3.360 9.160 1.00 0.00 H new ATOM 20 N LYS A 2 29.567 8.816 9.580 1.00 0.00 N ATOM 21 CA LYS A 2 30.415 9.504 8.561 1.00 0.00 C ATOM 22 C LYS A 2 31.819 9.717 9.131 1.00 0.00 C ATOM 23 O LYS A 2 31.984 10.291 10.190 1.00 0.00 O ATOM 24 CB LYS A 2 29.726 10.849 8.304 1.00 0.00 C ATOM 25 CG LYS A 2 28.879 10.763 7.029 1.00 0.00 C ATOM 26 CD LYS A 2 27.490 10.214 7.368 1.00 0.00 C ATOM 27 CE LYS A 2 26.749 9.857 6.075 1.00 0.00 C ATOM 28 NZ LYS A 2 25.305 10.036 6.394 1.00 0.00 N ATOM 0 H LYS A 2 29.277 9.399 10.365 1.00 0.00 H new ATOM 0 HA LYS A 2 30.518 8.928 7.642 1.00 0.00 H new ATOM 0 HB2 LYS A 2 29.096 11.113 9.153 1.00 0.00 H new ATOM 0 HB3 LYS A 2 30.472 11.637 8.203 1.00 0.00 H new ATOM 0 HG2 LYS A 2 28.790 11.749 6.573 1.00 0.00 H new ATOM 0 HG3 LYS A 2 29.368 10.117 6.299 1.00 0.00 H new ATOM 0 HD2 LYS A 2 27.581 9.332 8.002 1.00 0.00 H new ATOM 0 HD3 LYS A 2 26.923 10.955 7.932 1.00 0.00 H new ATOM 0 HE2 LYS A 2 27.055 10.505 5.254 1.00 0.00 H new ATOM 0 HE3 LYS A 2 26.961 8.833 5.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 24.733 9.809 5.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 25.041 9.402 7.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 25.131 11.022 6.675 1.00 0.00 H new ATOM 42 N VAL A 3 32.829 9.250 8.444 1.00 0.00 N ATOM 43 CA VAL A 3 34.223 9.416 8.954 1.00 0.00 C ATOM 44 C VAL A 3 34.977 10.459 8.123 1.00 0.00 C ATOM 45 O VAL A 3 35.344 11.507 8.618 1.00 0.00 O ATOM 46 CB VAL A 3 34.868 8.035 8.805 1.00 0.00 C ATOM 47 CG1 VAL A 3 36.260 8.049 9.444 1.00 0.00 C ATOM 48 CG2 VAL A 3 34.001 6.983 9.504 1.00 0.00 C ATOM 0 H VAL A 3 32.749 8.761 7.552 1.00 0.00 H new ATOM 0 HA VAL A 3 34.244 9.765 9.986 1.00 0.00 H new ATOM 0 HB VAL A 3 34.953 7.790 7.746 1.00 0.00 H new ATOM 0 HG11 VAL A 3 36.719 7.066 9.338 1.00 0.00 H new ATOM 0 HG12 VAL A 3 36.881 8.795 8.948 1.00 0.00 H new ATOM 0 HG13 VAL A 3 36.172 8.296 10.502 1.00 0.00 H new ATOM 0 HG21 VAL A 3 34.462 6.001 9.396 1.00 0.00 H new ATOM 0 HG22 VAL A 3 33.913 7.229 10.562 1.00 0.00 H new ATOM 0 HG23 VAL A 3 33.010 6.969 9.051 1.00 0.00 H new ATOM 58 N ARG A 4 35.217 10.179 6.868 1.00 0.00 N ATOM 59 CA ARG A 4 35.955 11.157 6.012 1.00 0.00 C ATOM 60 C ARG A 4 35.574 10.975 4.539 1.00 0.00 C ATOM 61 O ARG A 4 35.384 11.936 3.818 1.00 0.00 O ATOM 62 CB ARG A 4 37.438 10.833 6.224 1.00 0.00 C ATOM 63 CG ARG A 4 38.143 12.027 6.877 1.00 0.00 C ATOM 64 CD ARG A 4 38.219 13.191 5.881 1.00 0.00 C ATOM 65 NE ARG A 4 39.462 13.934 6.244 1.00 0.00 N ATOM 66 CZ ARG A 4 39.484 14.714 7.294 1.00 0.00 C ATOM 67 NH1 ARG A 4 38.420 14.841 8.042 1.00 0.00 N ATOM 68 NH2 ARG A 4 40.574 15.364 7.598 1.00 0.00 N ATOM 0 H ARG A 4 34.935 9.318 6.399 1.00 0.00 H new ATOM 0 HA ARG A 4 35.719 12.188 6.274 1.00 0.00 H new ATOM 0 HB2 ARG A 4 37.540 9.950 6.854 1.00 0.00 H new ATOM 0 HB3 ARG A 4 37.909 10.599 5.269 1.00 0.00 H new ATOM 0 HG2 ARG A 4 37.602 12.336 7.772 1.00 0.00 H new ATOM 0 HG3 ARG A 4 39.146 11.741 7.194 1.00 0.00 H new ATOM 0 HD2 ARG A 4 38.262 12.829 4.854 1.00 0.00 H new ATOM 0 HD3 ARG A 4 37.341 13.832 5.956 1.00 0.00 H new ATOM 0 HE ARG A 4 40.299 13.833 5.670 1.00 0.00 H new ATOM 0 HH11 ARG A 4 37.568 14.331 7.808 1.00 0.00 H new ATOM 0 HH12 ARG A 4 38.441 15.450 8.860 1.00 0.00 H new ATOM 0 HH21 ARG A 4 41.407 15.263 7.017 1.00 0.00 H new ATOM 0 HH22 ARG A 4 40.593 15.973 8.416 1.00 0.00 H new ATOM 82 N ALA A 5 35.471 9.753 4.087 1.00 0.00 N ATOM 83 CA ALA A 5 35.112 9.508 2.657 1.00 0.00 C ATOM 84 C ALA A 5 33.617 9.204 2.518 1.00 0.00 C ATOM 85 O ALA A 5 32.874 9.234 3.479 1.00 0.00 O ATOM 86 CB ALA A 5 35.946 8.294 2.244 1.00 0.00 C ATOM 0 H ALA A 5 35.620 8.913 4.646 1.00 0.00 H new ATOM 0 HA ALA A 5 35.312 10.378 2.031 1.00 0.00 H new ATOM 0 HB1 ALA A 5 35.740 8.048 1.202 1.00 0.00 H new ATOM 0 HB2 ALA A 5 37.005 8.524 2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 5 35.688 7.444 2.875 1.00 0.00 H new ATOM 92 N SER A 6 33.179 8.905 1.322 1.00 0.00 N ATOM 93 CA SER A 6 31.739 8.588 1.094 1.00 0.00 C ATOM 94 C SER A 6 31.638 7.491 0.034 1.00 0.00 C ATOM 95 O SER A 6 31.006 7.658 -0.992 1.00 0.00 O ATOM 96 CB SER A 6 31.112 9.892 0.591 1.00 0.00 C ATOM 97 OG SER A 6 31.525 10.969 1.423 1.00 0.00 O ATOM 0 H SER A 6 33.763 8.867 0.487 1.00 0.00 H new ATOM 0 HA SER A 6 31.233 8.231 1.991 1.00 0.00 H new ATOM 0 HB2 SER A 6 31.413 10.079 -0.440 1.00 0.00 H new ATOM 0 HB3 SER A 6 30.025 9.811 0.596 1.00 0.00 H new ATOM 0 HG SER A 6 31.125 11.804 1.100 1.00 0.00 H new ATOM 103 N VAL A 7 32.279 6.376 0.272 1.00 0.00 N ATOM 104 CA VAL A 7 32.255 5.259 -0.720 1.00 0.00 C ATOM 105 C VAL A 7 30.826 4.954 -1.174 1.00 0.00 C ATOM 106 O VAL A 7 29.984 4.540 -0.401 1.00 0.00 O ATOM 107 CB VAL A 7 32.852 4.049 -0.001 1.00 0.00 C ATOM 108 CG1 VAL A 7 34.288 4.359 0.427 1.00 0.00 C ATOM 109 CG2 VAL A 7 32.002 3.695 1.229 1.00 0.00 C ATOM 0 H VAL A 7 32.821 6.190 1.116 1.00 0.00 H new ATOM 0 HA VAL A 7 32.819 5.519 -1.616 1.00 0.00 H new ATOM 0 HB VAL A 7 32.858 3.197 -0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 7 34.710 3.494 0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 7 34.889 4.588 -0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 7 34.290 5.216 1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 7 32.435 2.832 1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 7 31.981 4.543 1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 7 30.986 3.458 0.913 1.00 0.00 H new ATOM 119 N LYS A 8 30.563 5.146 -2.431 1.00 0.00 N ATOM 120 CA LYS A 8 29.205 4.858 -2.976 1.00 0.00 C ATOM 121 C LYS A 8 29.309 3.723 -3.996 1.00 0.00 C ATOM 122 O LYS A 8 30.365 3.481 -4.550 1.00 0.00 O ATOM 123 CB LYS A 8 28.754 6.160 -3.649 1.00 0.00 C ATOM 124 CG LYS A 8 29.816 6.629 -4.654 1.00 0.00 C ATOM 125 CD LYS A 8 29.187 7.617 -5.641 1.00 0.00 C ATOM 126 CE LYS A 8 30.248 8.095 -6.638 1.00 0.00 C ATOM 127 NZ LYS A 8 30.546 6.907 -7.489 1.00 0.00 N ATOM 0 H LYS A 8 31.235 5.494 -3.115 1.00 0.00 H new ATOM 0 HA LYS A 8 28.496 4.547 -2.209 1.00 0.00 H new ATOM 0 HB2 LYS A 8 27.803 6.005 -4.159 1.00 0.00 H new ATOM 0 HB3 LYS A 8 28.590 6.930 -2.895 1.00 0.00 H new ATOM 0 HG2 LYS A 8 30.645 7.102 -4.128 1.00 0.00 H new ATOM 0 HG3 LYS A 8 30.226 5.774 -5.191 1.00 0.00 H new ATOM 0 HD2 LYS A 8 28.363 7.141 -6.172 1.00 0.00 H new ATOM 0 HD3 LYS A 8 28.770 8.468 -5.103 1.00 0.00 H new ATOM 0 HE2 LYS A 8 29.879 8.927 -7.238 1.00 0.00 H new ATOM 0 HE3 LYS A 8 31.143 8.446 -6.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 30.759 7.219 -8.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 31.366 6.399 -7.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 29.721 6.274 -7.503 1.00 0.00 H new ATOM 141 N ARG A 9 28.234 3.023 -4.252 1.00 0.00 N ATOM 142 CA ARG A 9 28.305 1.911 -5.244 1.00 0.00 C ATOM 143 C ARG A 9 28.762 2.460 -6.594 1.00 0.00 C ATOM 144 O ARG A 9 28.632 3.635 -6.875 1.00 0.00 O ATOM 145 CB ARG A 9 26.888 1.347 -5.351 1.00 0.00 C ATOM 146 CG ARG A 9 26.394 0.905 -3.966 1.00 0.00 C ATOM 147 CD ARG A 9 25.155 1.715 -3.570 1.00 0.00 C ATOM 148 NE ARG A 9 24.326 0.779 -2.755 1.00 0.00 N ATOM 149 CZ ARG A 9 23.374 1.239 -1.986 1.00 0.00 C ATOM 150 NH1 ARG A 9 23.142 2.523 -1.923 1.00 0.00 N ATOM 151 NH2 ARG A 9 22.654 0.411 -1.278 1.00 0.00 N ATOM 0 H ARG A 9 27.321 3.171 -3.823 1.00 0.00 H new ATOM 0 HA ARG A 9 29.013 1.139 -4.941 1.00 0.00 H new ATOM 0 HB2 ARG A 9 26.217 2.102 -5.762 1.00 0.00 H new ATOM 0 HB3 ARG A 9 26.875 0.501 -6.038 1.00 0.00 H new ATOM 0 HG2 ARG A 9 26.155 -0.158 -3.978 1.00 0.00 H new ATOM 0 HG3 ARG A 9 27.183 1.046 -3.227 1.00 0.00 H new ATOM 0 HD2 ARG A 9 25.429 2.601 -2.997 1.00 0.00 H new ATOM 0 HD3 ARG A 9 24.611 2.060 -4.449 1.00 0.00 H new ATOM 0 HE ARG A 9 24.503 -0.225 -2.798 1.00 0.00 H new ATOM 0 HH11 ARG A 9 23.704 3.171 -2.475 1.00 0.00 H new ATOM 0 HH12 ARG A 9 22.398 2.878 -1.322 1.00 0.00 H new ATOM 0 HH21 ARG A 9 22.835 -0.592 -1.326 1.00 0.00 H new ATOM 0 HH22 ARG A 9 21.911 0.767 -0.677 1.00 0.00 H new ATOM 165 N ILE A 10 29.303 1.618 -7.421 1.00 0.00 N ATOM 166 CA ILE A 10 29.788 2.069 -8.752 1.00 0.00 C ATOM 167 C ILE A 10 29.124 1.244 -9.857 1.00 0.00 C ATOM 168 O ILE A 10 29.335 1.476 -11.032 1.00 0.00 O ATOM 169 CB ILE A 10 31.294 1.814 -8.704 1.00 0.00 C ATOM 170 CG1 ILE A 10 31.894 2.592 -7.524 1.00 0.00 C ATOM 171 CG2 ILE A 10 31.929 2.275 -10.014 1.00 0.00 C ATOM 172 CD1 ILE A 10 33.412 2.702 -7.682 1.00 0.00 C ATOM 0 H ILE A 10 29.432 0.624 -7.231 1.00 0.00 H new ATOM 0 HA ILE A 10 29.555 3.113 -8.964 1.00 0.00 H new ATOM 0 HB ILE A 10 31.489 0.750 -8.572 1.00 0.00 H new ATOM 0 HG12 ILE A 10 31.453 3.588 -7.473 1.00 0.00 H new ATOM 0 HG13 ILE A 10 31.654 2.089 -6.587 1.00 0.00 H new ATOM 0 HG21 ILE A 10 33.003 2.094 -9.981 1.00 0.00 H new ATOM 0 HG22 ILE A 10 31.493 1.720 -10.845 1.00 0.00 H new ATOM 0 HG23 ILE A 10 31.745 3.340 -10.152 1.00 0.00 H new ATOM 0 HD11 ILE A 10 33.826 3.256 -6.839 1.00 0.00 H new ATOM 0 HD12 ILE A 10 33.848 1.703 -7.710 1.00 0.00 H new ATOM 0 HD13 ILE A 10 33.644 3.225 -8.609 1.00 0.00 H new ATOM 184 N CYS A 11 28.322 0.281 -9.487 1.00 0.00 N ATOM 185 CA CYS A 11 27.644 -0.563 -10.512 1.00 0.00 C ATOM 186 C CYS A 11 26.452 -1.305 -9.893 1.00 0.00 C ATOM 187 O CYS A 11 25.943 -0.921 -8.858 1.00 0.00 O ATOM 188 CB CYS A 11 28.719 -1.544 -10.983 1.00 0.00 C ATOM 189 SG CYS A 11 28.866 -2.905 -9.800 1.00 0.00 S ATOM 0 H CYS A 11 28.108 0.043 -8.519 1.00 0.00 H new ATOM 0 HA CYS A 11 27.243 0.026 -11.337 1.00 0.00 H new ATOM 0 HB2 CYS A 11 28.463 -1.933 -11.969 1.00 0.00 H new ATOM 0 HB3 CYS A 11 29.675 -1.030 -11.081 1.00 0.00 H new ATOM 194 N ASP A 12 25.999 -2.354 -10.530 1.00 0.00 N ATOM 195 CA ASP A 12 24.825 -3.119 -9.999 1.00 0.00 C ATOM 196 C ASP A 12 25.279 -4.253 -9.072 1.00 0.00 C ATOM 197 O ASP A 12 24.507 -4.760 -8.282 1.00 0.00 O ATOM 198 CB ASP A 12 24.130 -3.697 -11.237 1.00 0.00 C ATOM 199 CG ASP A 12 24.224 -2.703 -12.398 1.00 0.00 C ATOM 200 OD1 ASP A 12 25.256 -2.683 -13.051 1.00 0.00 O ATOM 201 OD2 ASP A 12 23.269 -1.975 -12.609 1.00 0.00 O ATOM 0 H ASP A 12 26.392 -2.717 -11.399 1.00 0.00 H new ATOM 0 HA ASP A 12 24.165 -2.480 -9.412 1.00 0.00 H new ATOM 0 HB2 ASP A 12 24.594 -4.642 -11.518 1.00 0.00 H new ATOM 0 HB3 ASP A 12 23.085 -3.910 -11.012 1.00 0.00 H new ATOM 206 N LYS A 13 26.518 -4.659 -9.166 1.00 0.00 N ATOM 207 CA LYS A 13 27.011 -5.769 -8.293 1.00 0.00 C ATOM 208 C LYS A 13 27.760 -5.200 -7.084 1.00 0.00 C ATOM 209 O LYS A 13 28.429 -5.912 -6.361 1.00 0.00 O ATOM 210 CB LYS A 13 27.958 -6.583 -9.184 1.00 0.00 C ATOM 211 CG LYS A 13 27.158 -7.633 -9.969 1.00 0.00 C ATOM 212 CD LYS A 13 27.411 -7.468 -11.474 1.00 0.00 C ATOM 213 CE LYS A 13 28.687 -8.218 -11.878 1.00 0.00 C ATOM 214 NZ LYS A 13 28.317 -9.662 -11.868 1.00 0.00 N ATOM 0 H LYS A 13 27.210 -4.272 -9.808 1.00 0.00 H new ATOM 0 HA LYS A 13 26.198 -6.379 -7.900 1.00 0.00 H new ATOM 0 HB2 LYS A 13 28.482 -5.921 -9.874 1.00 0.00 H new ATOM 0 HB3 LYS A 13 28.717 -7.072 -8.573 1.00 0.00 H new ATOM 0 HG2 LYS A 13 27.447 -8.635 -9.651 1.00 0.00 H new ATOM 0 HG3 LYS A 13 26.094 -7.525 -9.757 1.00 0.00 H new ATOM 0 HD2 LYS A 13 26.560 -7.851 -12.038 1.00 0.00 H new ATOM 0 HD3 LYS A 13 27.507 -6.411 -11.721 1.00 0.00 H new ATOM 0 HE2 LYS A 13 29.030 -7.907 -12.865 1.00 0.00 H new ATOM 0 HE3 LYS A 13 29.499 -8.016 -11.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 29.179 -10.242 -11.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 27.800 -9.882 -10.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 27.713 -9.871 -12.688 1.00 0.00 H new ATOM 228 N CYS A 14 27.647 -3.918 -6.860 1.00 0.00 N ATOM 229 CA CYS A 14 28.342 -3.289 -5.698 1.00 0.00 C ATOM 230 C CYS A 14 27.540 -3.508 -4.412 1.00 0.00 C ATOM 231 O CYS A 14 26.330 -3.621 -4.439 1.00 0.00 O ATOM 232 CB CYS A 14 28.401 -1.801 -6.036 1.00 0.00 C ATOM 233 SG CYS A 14 30.072 -1.371 -6.563 1.00 0.00 S ATOM 0 H CYS A 14 27.101 -3.276 -7.434 1.00 0.00 H new ATOM 0 HA CYS A 14 29.331 -3.716 -5.532 1.00 0.00 H new ATOM 0 HB2 CYS A 14 27.687 -1.568 -6.826 1.00 0.00 H new ATOM 0 HB3 CYS A 14 28.118 -1.208 -5.166 1.00 0.00 H new ATOM 238 N LYS A 15 28.205 -3.557 -3.287 1.00 0.00 N ATOM 239 CA LYS A 15 27.483 -3.756 -1.996 1.00 0.00 C ATOM 240 C LYS A 15 28.176 -2.965 -0.885 1.00 0.00 C ATOM 241 O LYS A 15 29.350 -3.147 -0.625 1.00 0.00 O ATOM 242 CB LYS A 15 27.565 -5.260 -1.716 1.00 0.00 C ATOM 243 CG LYS A 15 26.609 -6.014 -2.646 1.00 0.00 C ATOM 244 CD LYS A 15 26.334 -7.413 -2.084 1.00 0.00 C ATOM 245 CE LYS A 15 25.264 -8.105 -2.936 1.00 0.00 C ATOM 246 NZ LYS A 15 25.471 -9.563 -2.711 1.00 0.00 N ATOM 0 H LYS A 15 29.218 -3.468 -3.207 1.00 0.00 H new ATOM 0 HA LYS A 15 26.450 -3.410 -2.042 1.00 0.00 H new ATOM 0 HB2 LYS A 15 28.586 -5.612 -1.866 1.00 0.00 H new ATOM 0 HB3 LYS A 15 27.308 -5.460 -0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 15 25.674 -5.462 -2.747 1.00 0.00 H new ATOM 0 HG3 LYS A 15 27.042 -6.091 -3.643 1.00 0.00 H new ATOM 0 HD2 LYS A 15 27.251 -8.003 -2.083 1.00 0.00 H new ATOM 0 HD3 LYS A 15 26.000 -7.342 -1.049 1.00 0.00 H new ATOM 0 HE2 LYS A 15 24.262 -7.798 -2.636 1.00 0.00 H new ATOM 0 HE3 LYS A 15 25.373 -7.849 -3.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 24.774 -10.102 -3.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 26.430 -9.828 -3.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 25.354 -9.778 -1.700 1.00 0.00 H new ATOM 260 N VAL A 16 27.459 -2.086 -0.231 1.00 0.00 N ATOM 261 CA VAL A 16 28.072 -1.281 0.865 1.00 0.00 C ATOM 262 C VAL A 16 27.835 -1.967 2.217 1.00 0.00 C ATOM 263 O VAL A 16 26.713 -2.261 2.581 1.00 0.00 O ATOM 264 CB VAL A 16 27.357 0.076 0.809 1.00 0.00 C ATOM 265 CG1 VAL A 16 27.534 0.811 2.142 1.00 0.00 C ATOM 266 CG2 VAL A 16 27.954 0.922 -0.321 1.00 0.00 C ATOM 0 H VAL A 16 26.474 -1.892 -0.410 1.00 0.00 H new ATOM 0 HA VAL A 16 29.151 -1.174 0.750 1.00 0.00 H new ATOM 0 HB VAL A 16 26.295 -0.085 0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 16 27.025 1.774 2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 16 27.108 0.212 2.947 1.00 0.00 H new ATOM 0 HG13 VAL A 16 28.595 0.971 2.331 1.00 0.00 H new ATOM 0 HG21 VAL A 16 27.446 1.886 -0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 16 29.017 1.079 -0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 16 27.824 0.404 -1.271 1.00 0.00 H new ATOM 276 N ILE A 17 28.882 -2.221 2.964 1.00 0.00 N ATOM 277 CA ILE A 17 28.713 -2.886 4.295 1.00 0.00 C ATOM 278 C ILE A 17 28.990 -1.884 5.418 1.00 0.00 C ATOM 279 O ILE A 17 29.496 -0.805 5.185 1.00 0.00 O ATOM 280 CB ILE A 17 29.740 -4.033 4.347 1.00 0.00 C ATOM 281 CG1 ILE A 17 30.233 -4.396 2.936 1.00 0.00 C ATOM 282 CG2 ILE A 17 29.094 -5.265 4.987 1.00 0.00 C ATOM 283 CD1 ILE A 17 29.055 -4.818 2.059 1.00 0.00 C ATOM 0 H ILE A 17 29.844 -1.997 2.711 1.00 0.00 H new ATOM 0 HA ILE A 17 27.697 -3.261 4.423 1.00 0.00 H new ATOM 0 HB ILE A 17 30.594 -3.704 4.940 1.00 0.00 H new ATOM 0 HG12 ILE A 17 30.741 -3.541 2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 17 30.961 -5.205 2.994 1.00 0.00 H new ATOM 0 HG21 ILE A 17 29.819 -6.078 5.025 1.00 0.00 H new ATOM 0 HG22 ILE A 17 28.769 -5.021 5.999 1.00 0.00 H new ATOM 0 HG23 ILE A 17 28.233 -5.574 4.394 1.00 0.00 H new ATOM 0 HD11 ILE A 17 29.416 -5.073 1.063 1.00 0.00 H new ATOM 0 HD12 ILE A 17 28.565 -5.686 2.500 1.00 0.00 H new ATOM 0 HD13 ILE A 17 28.342 -3.997 1.988 1.00 0.00 H new ATOM 295 N ARG A 18 28.667 -2.237 6.634 1.00 0.00 N ATOM 296 CA ARG A 18 28.915 -1.311 7.779 1.00 0.00 C ATOM 297 C ARG A 18 29.543 -2.079 8.944 1.00 0.00 C ATOM 298 O ARG A 18 29.003 -3.062 9.413 1.00 0.00 O ATOM 299 CB ARG A 18 27.533 -0.776 8.166 1.00 0.00 C ATOM 300 CG ARG A 18 27.034 0.193 7.087 1.00 0.00 C ATOM 301 CD ARG A 18 25.753 0.886 7.564 1.00 0.00 C ATOM 302 NE ARG A 18 24.708 -0.179 7.552 1.00 0.00 N ATOM 303 CZ ARG A 18 23.449 0.127 7.744 1.00 0.00 C ATOM 304 NH1 ARG A 18 23.097 1.368 7.950 1.00 0.00 N ATOM 305 NH2 ARG A 18 22.543 -0.811 7.731 1.00 0.00 N ATOM 0 H ARG A 18 28.241 -3.129 6.885 1.00 0.00 H new ATOM 0 HA ARG A 18 29.602 -0.505 7.521 1.00 0.00 H new ATOM 0 HB2 ARG A 18 26.831 -1.602 8.279 1.00 0.00 H new ATOM 0 HB3 ARG A 18 27.585 -0.268 9.129 1.00 0.00 H new ATOM 0 HG2 ARG A 18 27.801 0.936 6.870 1.00 0.00 H new ATOM 0 HG3 ARG A 18 26.842 -0.348 6.160 1.00 0.00 H new ATOM 0 HD2 ARG A 18 25.879 1.303 8.563 1.00 0.00 H new ATOM 0 HD3 ARG A 18 25.482 1.711 6.905 1.00 0.00 H new ATOM 0 HE ARG A 18 24.975 -1.150 7.393 1.00 0.00 H new ATOM 0 HH11 ARG A 18 23.804 2.103 7.962 1.00 0.00 H new ATOM 0 HH12 ARG A 18 22.115 1.602 8.099 1.00 0.00 H new ATOM 0 HH21 ARG A 18 22.815 -1.781 7.572 1.00 0.00 H new ATOM 0 HH22 ARG A 18 21.562 -0.575 7.880 1.00 0.00 H new ATOM 319 N ARG A 19 30.684 -1.641 9.409 1.00 0.00 N ATOM 320 CA ARG A 19 31.355 -2.347 10.542 1.00 0.00 C ATOM 321 C ARG A 19 31.791 -1.343 11.617 1.00 0.00 C ATOM 322 O ARG A 19 31.543 -0.159 11.501 1.00 0.00 O ATOM 323 CB ARG A 19 32.572 -3.036 9.913 1.00 0.00 C ATOM 324 CG ARG A 19 32.999 -4.230 10.778 1.00 0.00 C ATOM 325 CD ARG A 19 33.313 -5.435 9.882 1.00 0.00 C ATOM 326 NE ARG A 19 33.406 -6.595 10.816 1.00 0.00 N ATOM 327 CZ ARG A 19 33.747 -7.779 10.372 1.00 0.00 C ATOM 328 NH1 ARG A 19 34.001 -7.960 9.103 1.00 0.00 N ATOM 329 NH2 ARG A 19 33.832 -8.783 11.202 1.00 0.00 N ATOM 0 H ARG A 19 31.181 -0.824 9.053 1.00 0.00 H new ATOM 0 HA ARG A 19 30.694 -3.060 11.034 1.00 0.00 H new ATOM 0 HB2 ARG A 19 32.330 -3.374 8.905 1.00 0.00 H new ATOM 0 HB3 ARG A 19 33.396 -2.328 9.822 1.00 0.00 H new ATOM 0 HG2 ARG A 19 33.876 -3.967 11.370 1.00 0.00 H new ATOM 0 HG3 ARG A 19 32.205 -4.484 11.480 1.00 0.00 H new ATOM 0 HD2 ARG A 19 32.531 -5.589 9.138 1.00 0.00 H new ATOM 0 HD3 ARG A 19 34.246 -5.290 9.338 1.00 0.00 H new ATOM 0 HE ARG A 19 33.203 -6.465 11.807 1.00 0.00 H new ATOM 0 HH11 ARG A 19 33.934 -7.177 8.453 1.00 0.00 H new ATOM 0 HH12 ARG A 19 34.266 -8.884 8.763 1.00 0.00 H new ATOM 0 HH21 ARG A 19 33.633 -8.644 12.193 1.00 0.00 H new ATOM 0 HH22 ARG A 19 34.097 -9.707 10.860 1.00 0.00 H new ATOM 343 N HIS A 20 32.439 -1.833 12.654 1.00 0.00 N ATOM 344 CA HIS A 20 32.923 -0.970 13.790 1.00 0.00 C ATOM 345 C HIS A 20 32.543 0.505 13.610 1.00 0.00 C ATOM 346 O HIS A 20 31.504 0.943 14.065 1.00 0.00 O ATOM 347 CB HIS A 20 34.445 -1.131 13.775 1.00 0.00 C ATOM 348 CG HIS A 20 34.835 -2.310 14.623 1.00 0.00 C ATOM 349 ND1 HIS A 20 35.356 -2.163 15.899 1.00 0.00 N ATOM 350 CD2 HIS A 20 34.784 -3.662 14.391 1.00 0.00 C ATOM 351 CE1 HIS A 20 35.597 -3.396 16.382 1.00 0.00 C ATOM 352 NE2 HIS A 20 35.266 -4.346 15.503 1.00 0.00 N ATOM 0 H HIS A 20 32.659 -2.823 12.763 1.00 0.00 H new ATOM 0 HA HIS A 20 32.468 -1.273 14.733 1.00 0.00 H new ATOM 0 HB2 HIS A 20 34.796 -1.273 12.753 1.00 0.00 H new ATOM 0 HB3 HIS A 20 34.920 -0.226 14.152 1.00 0.00 H new ATOM 0 HD2 HIS A 20 34.425 -4.124 13.484 1.00 0.00 H new ATOM 0 HE1 HIS A 20 36.008 -3.593 17.361 1.00 0.00 H new ATOM 0 HE2 HIS A 20 35.349 -5.356 15.621 1.00 0.00 H new ATOM 360 N GLY A 21 33.378 1.272 12.960 1.00 0.00 N ATOM 361 CA GLY A 21 33.067 2.717 12.762 1.00 0.00 C ATOM 362 C GLY A 21 33.400 3.128 11.328 1.00 0.00 C ATOM 363 O GLY A 21 33.787 4.253 11.075 1.00 0.00 O ATOM 0 H GLY A 21 34.262 0.960 12.558 1.00 0.00 H new ATOM 0 HA2 GLY A 21 32.013 2.903 12.967 1.00 0.00 H new ATOM 0 HA3 GLY A 21 33.640 3.321 13.465 1.00 0.00 H new ATOM 367 N ARG A 22 33.248 2.233 10.386 1.00 0.00 N ATOM 368 CA ARG A 22 33.550 2.587 8.966 1.00 0.00 C ATOM 369 C ARG A 22 32.672 1.770 8.010 1.00 0.00 C ATOM 370 O ARG A 22 32.292 0.649 8.295 1.00 0.00 O ATOM 371 CB ARG A 22 35.042 2.278 8.768 1.00 0.00 C ATOM 372 CG ARG A 22 35.290 0.764 8.739 1.00 0.00 C ATOM 373 CD ARG A 22 35.674 0.269 10.136 1.00 0.00 C ATOM 374 NE ARG A 22 36.985 0.920 10.427 1.00 0.00 N ATOM 375 CZ ARG A 22 37.668 0.585 11.489 1.00 0.00 C ATOM 376 NH1 ARG A 22 37.217 -0.336 12.296 1.00 0.00 N ATOM 377 NH2 ARG A 22 38.807 1.170 11.740 1.00 0.00 N ATOM 0 H ARG A 22 32.929 1.276 10.537 1.00 0.00 H new ATOM 0 HA ARG A 22 33.338 3.635 8.752 1.00 0.00 H new ATOM 0 HB2 ARG A 22 35.389 2.725 7.837 1.00 0.00 H new ATOM 0 HB3 ARG A 22 35.621 2.730 9.574 1.00 0.00 H new ATOM 0 HG2 ARG A 22 34.394 0.247 8.395 1.00 0.00 H new ATOM 0 HG3 ARG A 22 36.085 0.531 8.030 1.00 0.00 H new ATOM 0 HD2 ARG A 22 34.922 0.547 10.874 1.00 0.00 H new ATOM 0 HD3 ARG A 22 35.758 -0.817 10.161 1.00 0.00 H new ATOM 0 HE ARG A 22 37.350 1.631 9.793 1.00 0.00 H new ATOM 0 HH11 ARG A 22 36.329 -0.797 12.098 1.00 0.00 H new ATOM 0 HH12 ARG A 22 37.753 -0.595 13.124 1.00 0.00 H new ATOM 0 HH21 ARG A 22 39.162 1.887 11.108 1.00 0.00 H new ATOM 0 HH22 ARG A 22 39.342 0.910 12.569 1.00 0.00 H new ATOM 391 N VAL A 23 32.343 2.337 6.881 1.00 0.00 N ATOM 392 CA VAL A 23 31.485 1.620 5.890 1.00 0.00 C ATOM 393 C VAL A 23 32.367 0.951 4.835 1.00 0.00 C ATOM 394 O VAL A 23 33.496 1.345 4.622 1.00 0.00 O ATOM 395 CB VAL A 23 30.617 2.709 5.249 1.00 0.00 C ATOM 396 CG1 VAL A 23 29.511 2.065 4.412 1.00 0.00 C ATOM 397 CG2 VAL A 23 29.987 3.584 6.339 1.00 0.00 C ATOM 0 H VAL A 23 32.633 3.273 6.599 1.00 0.00 H new ATOM 0 HA VAL A 23 30.879 0.840 6.351 1.00 0.00 H new ATOM 0 HB VAL A 23 31.244 3.328 4.607 1.00 0.00 H new ATOM 0 HG11 VAL A 23 28.897 2.844 3.959 1.00 0.00 H new ATOM 0 HG12 VAL A 23 29.957 1.453 3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 23 28.889 1.439 5.051 1.00 0.00 H new ATOM 0 HG21 VAL A 23 29.372 4.355 5.876 1.00 0.00 H new ATOM 0 HG22 VAL A 23 29.367 2.966 6.988 1.00 0.00 H new ATOM 0 HG23 VAL A 23 30.774 4.053 6.929 1.00 0.00 H new ATOM 407 N TYR A 24 31.861 -0.056 4.177 1.00 0.00 N ATOM 408 CA TYR A 24 32.670 -0.762 3.135 1.00 0.00 C ATOM 409 C TYR A 24 31.968 -0.736 1.783 1.00 0.00 C ATOM 410 O TYR A 24 30.813 -0.386 1.672 1.00 0.00 O ATOM 411 CB TYR A 24 32.775 -2.214 3.611 1.00 0.00 C ATOM 412 CG TYR A 24 33.646 -2.339 4.841 1.00 0.00 C ATOM 413 CD1 TYR A 24 34.589 -1.356 5.166 1.00 0.00 C ATOM 414 CD2 TYR A 24 33.503 -3.463 5.658 1.00 0.00 C ATOM 415 CE1 TYR A 24 35.384 -1.499 6.306 1.00 0.00 C ATOM 416 CE2 TYR A 24 34.297 -3.605 6.801 1.00 0.00 C ATOM 417 CZ TYR A 24 35.239 -2.622 7.125 1.00 0.00 C ATOM 418 OH TYR A 24 36.022 -2.759 8.252 1.00 0.00 O ATOM 0 H TYR A 24 30.919 -0.424 4.314 1.00 0.00 H new ATOM 0 HA TYR A 24 33.642 -0.284 3.010 1.00 0.00 H new ATOM 0 HB2 TYR A 24 31.779 -2.598 3.830 1.00 0.00 H new ATOM 0 HB3 TYR A 24 33.185 -2.830 2.811 1.00 0.00 H new ATOM 0 HD1 TYR A 24 34.702 -0.487 4.535 1.00 0.00 H new ATOM 0 HD2 TYR A 24 32.778 -4.223 5.407 1.00 0.00 H new ATOM 0 HE1 TYR A 24 36.112 -0.741 6.555 1.00 0.00 H new ATOM 0 HE2 TYR A 24 34.183 -4.473 7.433 1.00 0.00 H new ATOM 0 HH TYR A 24 35.794 -3.595 8.709 1.00 0.00 H new ATOM 428 N VAL A 25 32.669 -1.152 0.767 1.00 0.00 N ATOM 429 CA VAL A 25 32.090 -1.224 -0.603 1.00 0.00 C ATOM 430 C VAL A 25 32.732 -2.402 -1.309 1.00 0.00 C ATOM 431 O VAL A 25 33.694 -2.257 -2.037 1.00 0.00 O ATOM 432 CB VAL A 25 32.453 0.082 -1.310 1.00 0.00 C ATOM 433 CG1 VAL A 25 32.132 -0.036 -2.812 1.00 0.00 C ATOM 434 CG2 VAL A 25 31.640 1.219 -0.699 1.00 0.00 C ATOM 0 H VAL A 25 33.642 -1.452 0.830 1.00 0.00 H new ATOM 0 HA VAL A 25 31.008 -1.353 -0.595 1.00 0.00 H new ATOM 0 HB VAL A 25 33.517 0.284 -1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 25 32.392 0.896 -3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 25 32.709 -0.854 -3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 25 31.068 -0.234 -2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 25 31.892 2.155 -1.197 1.00 0.00 H new ATOM 0 HG22 VAL A 25 30.577 1.015 -0.826 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.869 1.300 0.364 1.00 0.00 H new ATOM 444 N ILE A 26 32.226 -3.571 -1.086 1.00 0.00 N ATOM 445 CA ILE A 26 32.828 -4.753 -1.737 1.00 0.00 C ATOM 446 C ILE A 26 32.049 -5.076 -3.009 1.00 0.00 C ATOM 447 O ILE A 26 30.851 -4.876 -3.083 1.00 0.00 O ATOM 448 CB ILE A 26 32.738 -5.870 -0.692 1.00 0.00 C ATOM 449 CG1 ILE A 26 31.272 -6.294 -0.512 1.00 0.00 C ATOM 450 CG2 ILE A 26 33.296 -5.358 0.650 1.00 0.00 C ATOM 451 CD1 ILE A 26 31.180 -7.409 0.533 1.00 0.00 C ATOM 0 H ILE A 26 31.425 -3.760 -0.484 1.00 0.00 H new ATOM 0 HA ILE A 26 33.863 -4.604 -2.044 1.00 0.00 H new ATOM 0 HB ILE A 26 33.321 -6.728 -1.026 1.00 0.00 H new ATOM 0 HG12 ILE A 26 30.672 -5.439 -0.199 1.00 0.00 H new ATOM 0 HG13 ILE A 26 30.864 -6.639 -1.462 1.00 0.00 H new ATOM 0 HG21 ILE A 26 33.234 -6.150 1.396 1.00 0.00 H new ATOM 0 HG22 ILE A 26 34.337 -5.062 0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 26 32.713 -4.499 0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 26 30.139 -7.706 0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 26 31.765 -8.267 0.202 1.00 0.00 H new ATOM 0 HD13 ILE A 26 31.570 -7.049 1.485 1.00 0.00 H new ATOM 463 N CYS A 27 32.726 -5.533 -4.025 1.00 0.00 N ATOM 464 CA CYS A 27 32.032 -5.824 -5.309 1.00 0.00 C ATOM 465 C CYS A 27 32.775 -6.913 -6.083 1.00 0.00 C ATOM 466 O CYS A 27 33.980 -7.044 -5.977 1.00 0.00 O ATOM 467 CB CYS A 27 32.098 -4.489 -6.048 1.00 0.00 C ATOM 468 SG CYS A 27 31.455 -4.654 -7.729 1.00 0.00 S ATOM 0 H CYS A 27 33.729 -5.717 -4.021 1.00 0.00 H new ATOM 0 HA CYS A 27 31.013 -6.190 -5.179 1.00 0.00 H new ATOM 0 HB2 CYS A 27 31.522 -3.739 -5.506 1.00 0.00 H new ATOM 0 HB3 CYS A 27 33.129 -4.137 -6.081 1.00 0.00 H new ATOM 473 N GLU A 28 32.065 -7.684 -6.871 1.00 0.00 N ATOM 474 CA GLU A 28 32.729 -8.756 -7.673 1.00 0.00 C ATOM 475 C GLU A 28 33.905 -8.148 -8.438 1.00 0.00 C ATOM 476 O GLU A 28 34.916 -8.784 -8.668 1.00 0.00 O ATOM 477 CB GLU A 28 31.644 -9.252 -8.636 1.00 0.00 C ATOM 478 CG GLU A 28 32.235 -10.277 -9.608 1.00 0.00 C ATOM 479 CD GLU A 28 31.107 -10.904 -10.431 1.00 0.00 C ATOM 480 OE1 GLU A 28 30.510 -11.857 -9.956 1.00 0.00 O ATOM 481 OE2 GLU A 28 30.852 -10.416 -11.520 1.00 0.00 O ATOM 0 H GLU A 28 31.055 -7.616 -6.993 1.00 0.00 H new ATOM 0 HA GLU A 28 33.123 -9.570 -7.064 1.00 0.00 H new ATOM 0 HB2 GLU A 28 30.825 -9.701 -8.074 1.00 0.00 H new ATOM 0 HB3 GLU A 28 31.226 -8.412 -9.190 1.00 0.00 H new ATOM 0 HG2 GLU A 28 32.957 -9.795 -10.267 1.00 0.00 H new ATOM 0 HG3 GLU A 28 32.772 -11.050 -9.058 1.00 0.00 H new ATOM 488 N ASN A 29 33.773 -6.903 -8.810 1.00 0.00 N ATOM 489 CA ASN A 29 34.864 -6.203 -9.539 1.00 0.00 C ATOM 490 C ASN A 29 35.723 -5.437 -8.520 1.00 0.00 C ATOM 491 O ASN A 29 35.208 -4.658 -7.738 1.00 0.00 O ATOM 492 CB ASN A 29 34.132 -5.256 -10.493 1.00 0.00 C ATOM 493 CG ASN A 29 35.046 -4.106 -10.912 1.00 0.00 C ATOM 494 OD1 ASN A 29 36.248 -4.263 -10.996 1.00 0.00 O ATOM 495 ND2 ASN A 29 34.515 -2.949 -11.182 1.00 0.00 N ATOM 0 H ASN A 29 32.943 -6.336 -8.636 1.00 0.00 H new ATOM 0 HA ASN A 29 35.535 -6.867 -10.083 1.00 0.00 H new ATOM 0 HB2 ASN A 29 33.800 -5.804 -11.375 1.00 0.00 H new ATOM 0 HB3 ASN A 29 33.239 -4.861 -10.008 1.00 0.00 H new ATOM 0 HD21 ASN A 29 35.108 -2.169 -11.466 1.00 0.00 H new ATOM 0 HD22 ASN A 29 33.506 -2.822 -11.110 1.00 0.00 H new ATOM 502 N PRO A 30 37.005 -5.707 -8.542 1.00 0.00 N ATOM 503 CA PRO A 30 37.943 -5.065 -7.579 1.00 0.00 C ATOM 504 C PRO A 30 38.056 -3.552 -7.799 1.00 0.00 C ATOM 505 O PRO A 30 38.469 -2.828 -6.917 1.00 0.00 O ATOM 506 CB PRO A 30 39.273 -5.767 -7.856 1.00 0.00 C ATOM 507 CG PRO A 30 39.155 -6.264 -9.259 1.00 0.00 C ATOM 508 CD PRO A 30 37.706 -6.615 -9.460 1.00 0.00 C ATOM 0 HA PRO A 30 37.609 -5.168 -6.546 1.00 0.00 H new ATOM 0 HB2 PRO A 30 40.113 -5.081 -7.749 1.00 0.00 H new ATOM 0 HB3 PRO A 30 39.441 -6.587 -7.158 1.00 0.00 H new ATOM 0 HG2 PRO A 30 39.473 -5.501 -9.970 1.00 0.00 H new ATOM 0 HG3 PRO A 30 39.792 -7.134 -9.419 1.00 0.00 H new ATOM 0 HD2 PRO A 30 37.395 -6.461 -10.493 1.00 0.00 H new ATOM 0 HD3 PRO A 30 37.509 -7.660 -9.220 1.00 0.00 H new ATOM 516 N LYS A 31 37.699 -3.059 -8.951 1.00 0.00 N ATOM 517 CA LYS A 31 37.806 -1.586 -9.180 1.00 0.00 C ATOM 518 C LYS A 31 36.802 -0.831 -8.300 1.00 0.00 C ATOM 519 O LYS A 31 36.853 0.379 -8.196 1.00 0.00 O ATOM 520 CB LYS A 31 37.493 -1.374 -10.665 1.00 0.00 C ATOM 521 CG LYS A 31 38.786 -1.443 -11.486 1.00 0.00 C ATOM 522 CD LYS A 31 39.407 -2.840 -11.365 1.00 0.00 C ATOM 523 CE LYS A 31 40.445 -3.040 -12.475 1.00 0.00 C ATOM 524 NZ LYS A 31 41.533 -2.067 -12.173 1.00 0.00 N ATOM 0 H LYS A 31 37.342 -3.602 -9.737 1.00 0.00 H new ATOM 0 HA LYS A 31 38.796 -1.208 -8.923 1.00 0.00 H new ATOM 0 HB2 LYS A 31 36.792 -2.134 -11.010 1.00 0.00 H new ATOM 0 HB3 LYS A 31 37.011 -0.407 -10.810 1.00 0.00 H new ATOM 0 HG2 LYS A 31 38.576 -1.218 -12.532 1.00 0.00 H new ATOM 0 HG3 LYS A 31 39.491 -0.690 -11.134 1.00 0.00 H new ATOM 0 HD2 LYS A 31 39.877 -2.957 -10.389 1.00 0.00 H new ATOM 0 HD3 LYS A 31 38.631 -3.602 -11.438 1.00 0.00 H new ATOM 0 HE2 LYS A 31 40.822 -4.063 -12.482 1.00 0.00 H new ATOM 0 HE3 LYS A 31 40.012 -2.854 -13.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 42.405 -2.360 -12.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 41.254 -1.121 -12.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 41.700 -2.040 -11.147 1.00 0.00 H new ATOM 538 N HIS A 32 35.888 -1.529 -7.666 1.00 0.00 N ATOM 539 CA HIS A 32 34.886 -0.828 -6.800 1.00 0.00 C ATOM 540 C HIS A 32 35.120 -1.138 -5.316 1.00 0.00 C ATOM 541 O HIS A 32 34.253 -0.911 -4.498 1.00 0.00 O ATOM 542 CB HIS A 32 33.518 -1.374 -7.223 1.00 0.00 C ATOM 543 CG HIS A 32 33.270 -1.108 -8.682 1.00 0.00 C ATOM 544 ND1 HIS A 32 32.142 -1.591 -9.330 1.00 0.00 N ATOM 545 CD2 HIS A 32 34.002 -0.450 -9.627 1.00 0.00 C ATOM 546 CE1 HIS A 32 32.241 -1.222 -10.622 1.00 0.00 C ATOM 547 NE2 HIS A 32 33.358 -0.527 -10.855 1.00 0.00 N ATOM 0 H HIS A 32 35.793 -2.544 -7.710 1.00 0.00 H new ATOM 0 HA HIS A 32 34.961 0.253 -6.919 1.00 0.00 H new ATOM 0 HB2 HIS A 32 33.473 -2.446 -7.030 1.00 0.00 H new ATOM 0 HB3 HIS A 32 32.734 -0.909 -6.625 1.00 0.00 H new ATOM 0 HD2 HIS A 32 34.940 0.054 -9.447 1.00 0.00 H new ATOM 0 HE1 HIS A 32 31.507 -1.459 -11.378 1.00 0.00 H new ATOM 0 HE2 HIS A 32 33.671 -0.137 -11.744 1.00 0.00 H new ATOM 555 N LYS A 33 36.267 -1.652 -4.950 1.00 0.00 N ATOM 556 CA LYS A 33 36.501 -1.958 -3.506 1.00 0.00 C ATOM 557 C LYS A 33 36.895 -0.682 -2.748 1.00 0.00 C ATOM 558 O LYS A 33 37.982 -0.162 -2.908 1.00 0.00 O ATOM 559 CB LYS A 33 37.625 -3.001 -3.472 1.00 0.00 C ATOM 560 CG LYS A 33 38.860 -2.490 -4.222 1.00 0.00 C ATOM 561 CD LYS A 33 39.947 -2.081 -3.224 1.00 0.00 C ATOM 562 CE LYS A 33 40.984 -3.202 -3.095 1.00 0.00 C ATOM 563 NZ LYS A 33 40.325 -4.248 -2.262 1.00 0.00 N ATOM 0 H LYS A 33 37.041 -1.870 -5.578 1.00 0.00 H new ATOM 0 HA LYS A 33 35.603 -2.341 -3.021 1.00 0.00 H new ATOM 0 HB2 LYS A 33 37.888 -3.226 -2.438 1.00 0.00 H new ATOM 0 HB3 LYS A 33 37.279 -3.931 -3.922 1.00 0.00 H new ATOM 0 HG2 LYS A 33 39.239 -3.266 -4.887 1.00 0.00 H new ATOM 0 HG3 LYS A 33 38.590 -1.639 -4.847 1.00 0.00 H new ATOM 0 HD2 LYS A 33 40.431 -1.162 -3.556 1.00 0.00 H new ATOM 0 HD3 LYS A 33 39.501 -1.873 -2.252 1.00 0.00 H new ATOM 0 HE2 LYS A 33 41.263 -3.595 -4.073 1.00 0.00 H new ATOM 0 HE3 LYS A 33 41.898 -2.841 -2.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 41.035 -4.939 -1.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 39.882 -3.803 -1.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 39.597 -4.732 -2.825 1.00 0.00 H new ATOM 577 N GLN A 34 36.014 -0.173 -1.923 1.00 0.00 N ATOM 578 CA GLN A 34 36.334 1.070 -1.152 1.00 0.00 C ATOM 579 C GLN A 34 35.902 0.911 0.308 1.00 0.00 C ATOM 580 O GLN A 34 35.134 0.030 0.649 1.00 0.00 O ATOM 581 CB GLN A 34 35.535 2.207 -1.813 1.00 0.00 C ATOM 582 CG GLN A 34 35.417 1.976 -3.321 1.00 0.00 C ATOM 583 CD GLN A 34 34.623 3.121 -3.952 1.00 0.00 C ATOM 584 OE1 GLN A 34 35.114 3.812 -4.822 1.00 0.00 O ATOM 585 NE2 GLN A 34 33.404 3.355 -3.545 1.00 0.00 N ATOM 0 H GLN A 34 35.088 -0.563 -1.750 1.00 0.00 H new ATOM 0 HA GLN A 34 37.404 1.276 -1.162 1.00 0.00 H new ATOM 0 HB2 GLN A 34 34.541 2.266 -1.370 1.00 0.00 H new ATOM 0 HB3 GLN A 34 36.026 3.162 -1.623 1.00 0.00 H new ATOM 0 HG2 GLN A 34 36.409 1.917 -3.769 1.00 0.00 H new ATOM 0 HG3 GLN A 34 34.922 1.025 -3.516 1.00 0.00 H new ATOM 0 HE21 GLN A 34 32.990 2.776 -2.815 1.00 0.00 H new ATOM 0 HE22 GLN A 34 32.866 4.117 -3.958 1.00 0.00 H new ATOM 594 N ARG A 35 36.382 1.772 1.166 1.00 0.00 N ATOM 595 CA ARG A 35 36.003 1.706 2.607 1.00 0.00 C ATOM 596 C ARG A 35 35.840 3.132 3.148 1.00 0.00 C ATOM 597 O ARG A 35 36.801 3.865 3.266 1.00 0.00 O ATOM 598 CB ARG A 35 37.175 0.998 3.303 1.00 0.00 C ATOM 599 CG ARG A 35 36.874 0.837 4.797 1.00 0.00 C ATOM 600 CD ARG A 35 37.554 1.944 5.605 1.00 0.00 C ATOM 601 NE ARG A 35 38.894 1.396 5.975 1.00 0.00 N ATOM 602 CZ ARG A 35 39.811 2.179 6.485 1.00 0.00 C ATOM 603 NH1 ARG A 35 39.568 3.451 6.657 1.00 0.00 N ATOM 604 NH2 ARG A 35 40.975 1.690 6.819 1.00 0.00 N ATOM 0 H ARG A 35 37.027 2.525 0.927 1.00 0.00 H new ATOM 0 HA ARG A 35 35.064 1.177 2.772 1.00 0.00 H new ATOM 0 HB2 ARG A 35 37.342 0.021 2.849 1.00 0.00 H new ATOM 0 HB3 ARG A 35 38.091 1.573 3.168 1.00 0.00 H new ATOM 0 HG2 ARG A 35 35.797 0.868 4.962 1.00 0.00 H new ATOM 0 HG3 ARG A 35 37.221 -0.137 5.141 1.00 0.00 H new ATOM 0 HD2 ARG A 35 37.651 2.857 5.017 1.00 0.00 H new ATOM 0 HD3 ARG A 35 36.974 2.196 6.492 1.00 0.00 H new ATOM 0 HE ARG A 35 39.095 0.407 5.829 1.00 0.00 H new ATOM 0 HH11 ARG A 35 38.661 3.837 6.394 1.00 0.00 H new ATOM 0 HH12 ARG A 35 40.285 4.058 7.055 1.00 0.00 H new ATOM 0 HH21 ARG A 35 41.170 0.698 6.683 1.00 0.00 H new ATOM 0 HH22 ARG A 35 41.689 2.300 7.216 1.00 0.00 H new ATOM 618 N GLN A 36 34.638 3.540 3.465 1.00 0.00 N ATOM 619 CA GLN A 36 34.441 4.928 3.989 1.00 0.00 C ATOM 620 C GLN A 36 35.323 5.157 5.221 1.00 0.00 C ATOM 621 O GLN A 36 35.438 4.304 6.081 1.00 0.00 O ATOM 622 CB GLN A 36 32.961 5.019 4.366 1.00 0.00 C ATOM 623 CG GLN A 36 32.540 6.490 4.458 1.00 0.00 C ATOM 624 CD GLN A 36 31.559 6.676 5.618 1.00 0.00 C ATOM 625 OE1 GLN A 36 31.922 6.515 6.766 1.00 0.00 O ATOM 626 NE2 GLN A 36 30.323 7.012 5.367 1.00 0.00 N ATOM 0 H GLN A 36 33.790 2.979 3.385 1.00 0.00 H new ATOM 0 HA GLN A 36 34.715 5.684 3.253 1.00 0.00 H new ATOM 0 HB2 GLN A 36 32.354 4.503 3.622 1.00 0.00 H new ATOM 0 HB3 GLN A 36 32.788 4.521 5.320 1.00 0.00 H new ATOM 0 HG2 GLN A 36 33.417 7.120 4.606 1.00 0.00 H new ATOM 0 HG3 GLN A 36 32.076 6.804 3.523 1.00 0.00 H new ATOM 0 HE21 GLN A 36 30.017 7.148 4.403 1.00 0.00 H new ATOM 0 HE22 GLN A 36 29.663 7.139 6.134 1.00 0.00 H new ATOM 635 N GLY A 37 35.949 6.303 5.308 1.00 0.00 N ATOM 636 CA GLY A 37 36.830 6.592 6.477 1.00 0.00 C ATOM 637 C GLY A 37 38.235 6.050 6.208 1.00 0.00 C ATOM 638 O GLY A 37 38.396 5.332 5.235 1.00 0.00 O ATOM 639 OXT GLY A 37 39.127 6.360 6.979 1.00 0.00 O ATOM 0 H GLY A 37 35.887 7.052 4.618 1.00 0.00 H new ATOM 0 HA2 GLY A 37 36.872 7.666 6.657 1.00 0.00 H new ATOM 0 HA3 GLY A 37 36.419 6.134 7.377 1.00 0.00 H new TER 643 GLY A 37 HETATM 644 ZN ZN A 38 30.679 -2.599 -8.412 1.00 0.00 ZN