USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 504 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 28 HIS HD1 : A 28 HIS ND1 : A 67 ZNZN :(H bumps) USER MOD NoAdj-H: A 31 HIS HD1 : A 31 HIS ND1 : A 67 ZNZN :(H bumps) USER MOD NoAdj-H: A 58 HIS HD1 : A 58 HIS ND1 : A 68 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 169:sc= -0.0566 (180deg=-0.196) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.509 K(o=-0.51,f=-0.0016) USER MOD Single : A 23 MET CE :methyl -170:sc= -0.61 (180deg=-1.2) USER MOD Single : A 25 LYS NZ :NH3+ 155:sc= -0.28 (180deg=-1.46!) USER MOD Single : A 26 GLN : amide:sc= -1.54 K(o=-1.5,f=-9.9!) USER MOD Single : A 36 LYS NZ :NH3+ -164:sc=-0.00625 (180deg=-0.167) USER MOD Single : A 39 LYS NZ :NH3+ -166:sc=-0.000474 (180deg=-0.249) USER MOD Single : A 44 HIS : no HD1:sc= -2.91! C(o=-2.9!,f=-5.8!) USER MOD Single : A 46 HIS : no HD1:sc= -0.403 K(o=-0.4,f=-1) USER MOD Single : A 47 TYR OH : rot 168:sc= 0.105 USER MOD Single : A 50 LYS NZ :NH3+ -167:sc=-0.00536 (180deg=-0.19) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 171:sc= -0.255 USER MOD Single : A 60 ASN : amide:sc= -0.373 K(o=-0.37,f=-5.5!) USER MOD Single : A 61 GLN : amide:sc= -0.294 X(o=-0.29,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.774 26.433 1.597 1.00 0.00 N ATOM 2 CA GLY A 1 8.531 26.209 2.390 1.00 0.00 C ATOM 3 C GLY A 1 7.310 26.337 1.479 1.00 0.00 C ATOM 4 O GLY A 1 6.227 26.670 1.919 1.00 0.00 O ATOM 0 H1 GLY A 1 10.584 26.531 2.242 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.932 25.624 0.963 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.674 27.301 1.032 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.553 25.220 2.848 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.470 26.935 3.201 1.00 0.00 H new ATOM 10 N SER A 2 7.473 26.076 0.211 1.00 0.00 N ATOM 11 CA SER A 2 6.318 26.185 -0.726 1.00 0.00 C ATOM 12 C SER A 2 5.268 25.133 -0.363 1.00 0.00 C ATOM 13 O SER A 2 5.217 24.651 0.751 1.00 0.00 O ATOM 14 CB SER A 2 6.801 25.951 -2.157 1.00 0.00 C ATOM 15 OG SER A 2 7.953 26.747 -2.400 1.00 0.00 O ATOM 0 H SER A 2 8.354 25.792 -0.217 1.00 0.00 H new ATOM 0 HA SER A 2 5.878 27.179 -0.649 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.035 24.897 -2.306 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.013 26.206 -2.865 1.00 0.00 H new ATOM 0 HG SER A 2 8.266 26.598 -3.317 1.00 0.00 H new ATOM 21 N MET A 3 4.429 24.771 -1.295 1.00 0.00 N ATOM 22 CA MET A 3 3.383 23.751 -1.001 1.00 0.00 C ATOM 23 C MET A 3 4.034 22.523 -0.358 1.00 0.00 C ATOM 24 O MET A 3 5.240 22.373 -0.367 1.00 0.00 O ATOM 25 CB MET A 3 2.689 23.341 -2.303 1.00 0.00 C ATOM 26 CG MET A 3 2.437 24.581 -3.163 1.00 0.00 C ATOM 27 SD MET A 3 1.697 25.884 -2.147 1.00 0.00 S ATOM 28 CE MET A 3 2.420 27.292 -3.021 1.00 0.00 C ATOM 0 H MET A 3 4.423 25.137 -2.247 1.00 0.00 H new ATOM 0 HA MET A 3 2.647 24.172 -0.316 1.00 0.00 H new ATOM 0 HB2 MET A 3 3.308 22.628 -2.848 1.00 0.00 H new ATOM 0 HB3 MET A 3 1.746 22.841 -2.082 1.00 0.00 H new ATOM 0 HG2 MET A 3 3.373 24.932 -3.597 1.00 0.00 H new ATOM 0 HG3 MET A 3 1.775 24.332 -3.992 1.00 0.00 H new ATOM 0 HE1 MET A 3 2.090 28.219 -2.553 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.507 27.229 -2.975 1.00 0.00 H new ATOM 0 HE3 MET A 3 2.099 27.277 -4.063 1.00 0.00 H new ATOM 38 N GLY A 4 3.248 21.645 0.203 1.00 0.00 N ATOM 39 CA GLY A 4 3.826 20.431 0.846 1.00 0.00 C ATOM 40 C GLY A 4 2.703 19.481 1.266 1.00 0.00 C ATOM 41 O GLY A 4 1.705 19.347 0.586 1.00 0.00 O ATOM 0 H GLY A 4 2.231 21.716 0.244 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.500 19.928 0.153 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.418 20.716 1.716 1.00 0.00 H new ATOM 45 N VAL A 5 2.862 18.821 2.383 1.00 0.00 N ATOM 46 CA VAL A 5 1.815 17.871 2.864 1.00 0.00 C ATOM 47 C VAL A 5 1.553 16.793 1.797 1.00 0.00 C ATOM 48 O VAL A 5 1.199 17.106 0.678 1.00 0.00 O ATOM 49 CB VAL A 5 0.510 18.633 3.155 1.00 0.00 C ATOM 50 CG1 VAL A 5 -0.688 17.724 2.895 1.00 0.00 C ATOM 51 CG2 VAL A 5 0.466 19.062 4.623 1.00 0.00 C ATOM 0 H VAL A 5 3.679 18.900 2.988 1.00 0.00 H new ATOM 0 HA VAL A 5 2.166 17.394 3.779 1.00 0.00 H new ATOM 0 HB VAL A 5 0.473 19.509 2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.609 18.268 3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.682 17.404 1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.629 16.850 3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.462 19.600 4.817 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.514 18.180 5.261 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.314 19.712 4.838 1.00 0.00 H new ATOM 61 N PRO A 6 1.720 15.550 2.183 1.00 0.00 N ATOM 62 CA PRO A 6 1.493 14.407 1.292 1.00 0.00 C ATOM 63 C PRO A 6 0.006 14.144 1.184 1.00 0.00 C ATOM 64 O PRO A 6 -0.779 14.626 1.973 1.00 0.00 O ATOM 65 CB PRO A 6 2.191 13.230 1.984 1.00 0.00 C ATOM 66 CG PRO A 6 2.599 13.711 3.397 1.00 0.00 C ATOM 67 CD PRO A 6 2.160 15.172 3.533 1.00 0.00 C ATOM 0 HA PRO A 6 1.873 14.573 0.284 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.524 12.370 2.047 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.066 12.914 1.417 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.126 13.096 4.162 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.676 13.620 3.536 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.353 15.278 4.258 1.00 0.00 H new ATOM 0 HD3 PRO A 6 2.981 15.803 3.875 1.00 0.00 H new ATOM 75 N ILE A 7 -0.383 13.384 0.211 1.00 0.00 N ATOM 76 CA ILE A 7 -1.823 13.090 0.043 1.00 0.00 C ATOM 77 C ILE A 7 -2.012 11.607 -0.242 1.00 0.00 C ATOM 78 O ILE A 7 -1.446 11.054 -1.163 1.00 0.00 O ATOM 79 CB ILE A 7 -2.375 13.949 -1.087 1.00 0.00 C ATOM 80 CG1 ILE A 7 -2.588 15.356 -0.533 1.00 0.00 C ATOM 81 CG2 ILE A 7 -3.702 13.368 -1.562 1.00 0.00 C ATOM 82 CD1 ILE A 7 -2.994 16.327 -1.638 1.00 0.00 C ATOM 0 H ILE A 7 0.234 12.953 -0.477 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.368 13.327 0.957 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.686 13.974 -1.931 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.359 15.334 0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.672 15.705 -0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.099 13.981 -2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.546 12.351 -1.921 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.411 13.356 -0.734 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.139 17.321 -1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.210 16.366 -2.394 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.924 15.989 -2.096 1.00 0.00 H new ATOM 94 N CYS A 8 -2.791 10.960 0.574 1.00 0.00 N ATOM 95 CA CYS A 8 -3.013 9.506 0.401 1.00 0.00 C ATOM 96 C CYS A 8 -3.700 9.242 -0.932 1.00 0.00 C ATOM 97 O CYS A 8 -4.802 9.685 -1.183 1.00 0.00 O ATOM 98 CB CYS A 8 -3.871 8.985 1.552 1.00 0.00 C ATOM 99 SG CYS A 8 -4.407 7.292 1.204 1.00 0.00 S ATOM 0 H CYS A 8 -3.287 11.382 1.359 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.054 8.987 0.407 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.303 9.012 2.482 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.739 9.629 1.690 1.00 0.00 H new ATOM 104 N GLY A 9 -3.043 8.517 -1.788 1.00 0.00 N ATOM 105 CA GLY A 9 -3.633 8.210 -3.117 1.00 0.00 C ATOM 106 C GLY A 9 -4.861 7.321 -2.933 1.00 0.00 C ATOM 107 O GLY A 9 -5.508 6.933 -3.885 1.00 0.00 O ATOM 0 H GLY A 9 -2.117 8.121 -1.624 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.911 9.133 -3.626 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.898 7.708 -3.746 1.00 0.00 H new ATOM 111 N ALA A 10 -5.184 6.991 -1.714 1.00 0.00 N ATOM 112 CA ALA A 10 -6.367 6.121 -1.466 1.00 0.00 C ATOM 113 C ALA A 10 -7.624 6.983 -1.367 1.00 0.00 C ATOM 114 O ALA A 10 -8.690 6.600 -1.806 1.00 0.00 O ATOM 115 CB ALA A 10 -6.164 5.351 -0.160 1.00 0.00 C ATOM 0 H ALA A 10 -4.680 7.286 -0.878 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.481 5.415 -2.289 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.028 4.713 0.024 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.268 4.735 -0.236 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.051 6.056 0.664 1.00 0.00 H new ATOM 121 N CYS A 11 -7.502 8.149 -0.796 1.00 0.00 N ATOM 122 CA CYS A 11 -8.678 9.052 -0.663 1.00 0.00 C ATOM 123 C CYS A 11 -8.291 10.436 -1.176 1.00 0.00 C ATOM 124 O CYS A 11 -9.056 11.378 -1.095 1.00 0.00 O ATOM 125 CB CYS A 11 -9.089 9.143 0.809 1.00 0.00 C ATOM 126 SG CYS A 11 -7.609 9.130 1.851 1.00 0.00 S ATOM 0 H CYS A 11 -6.631 8.517 -0.413 1.00 0.00 H new ATOM 0 HA CYS A 11 -9.516 8.663 -1.242 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.661 10.055 0.982 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -9.737 8.306 1.069 1.00 0.00 H new ATOM 131 N ARG A 12 -7.102 10.569 -1.699 1.00 0.00 N ATOM 132 CA ARG A 12 -6.658 11.889 -2.210 1.00 0.00 C ATOM 133 C ARG A 12 -6.832 12.919 -1.098 1.00 0.00 C ATOM 134 O ARG A 12 -7.255 14.036 -1.326 1.00 0.00 O ATOM 135 CB ARG A 12 -7.497 12.283 -3.433 1.00 0.00 C ATOM 136 CG ARG A 12 -6.956 11.584 -4.691 1.00 0.00 C ATOM 137 CD ARG A 12 -7.475 10.140 -4.760 1.00 0.00 C ATOM 138 NE ARG A 12 -6.374 9.220 -5.186 1.00 0.00 N ATOM 139 CZ ARG A 12 -5.572 9.536 -6.171 1.00 0.00 C ATOM 140 NH1 ARG A 12 -5.768 10.627 -6.860 1.00 0.00 N ATOM 141 NH2 ARG A 12 -4.586 8.741 -6.484 1.00 0.00 N ATOM 0 H ARG A 12 -6.420 9.816 -1.793 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.611 11.843 -2.511 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.539 12.006 -3.273 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.471 13.364 -3.569 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.264 12.132 -5.581 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.866 11.586 -4.677 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.858 9.836 -3.786 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.306 10.077 -5.463 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.247 8.332 -4.701 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.551 11.240 -6.632 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.139 10.866 -7.626 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.442 7.877 -5.962 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.959 8.984 -7.251 1.00 0.00 H new ATOM 155 N ARG A 13 -6.499 12.544 0.110 1.00 0.00 N ATOM 156 CA ARG A 13 -6.627 13.484 1.260 1.00 0.00 C ATOM 157 C ARG A 13 -5.221 13.778 1.797 1.00 0.00 C ATOM 158 O ARG A 13 -4.392 12.891 1.832 1.00 0.00 O ATOM 159 CB ARG A 13 -7.472 12.829 2.360 1.00 0.00 C ATOM 160 CG ARG A 13 -8.959 13.073 2.087 1.00 0.00 C ATOM 161 CD ARG A 13 -9.783 12.599 3.287 1.00 0.00 C ATOM 162 NE ARG A 13 -11.197 12.386 2.867 1.00 0.00 N ATOM 163 CZ ARG A 13 -12.009 11.705 3.630 1.00 0.00 C ATOM 164 NH1 ARG A 13 -11.581 11.211 4.760 1.00 0.00 N ATOM 165 NH2 ARG A 13 -13.247 11.519 3.262 1.00 0.00 N ATOM 0 H ARG A 13 -6.141 11.619 0.349 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.110 14.409 0.944 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.271 11.758 2.397 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.200 13.238 3.333 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.137 14.133 1.906 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.267 12.540 1.188 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.367 11.673 3.684 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.738 13.338 4.087 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.530 12.772 1.984 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.613 11.357 5.046 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.215 10.679 5.357 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.580 11.905 2.379 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.882 10.987 3.858 1.00 0.00 H new ATOM 179 N PRO A 14 -4.977 15.005 2.193 1.00 0.00 N ATOM 180 CA PRO A 14 -3.657 15.395 2.711 1.00 0.00 C ATOM 181 C PRO A 14 -3.259 14.521 3.900 1.00 0.00 C ATOM 182 O PRO A 14 -3.868 14.561 4.950 1.00 0.00 O ATOM 183 CB PRO A 14 -3.807 16.868 3.109 1.00 0.00 C ATOM 184 CG PRO A 14 -5.239 17.315 2.738 1.00 0.00 C ATOM 185 CD PRO A 14 -5.977 16.092 2.166 1.00 0.00 C ATOM 0 HA PRO A 14 -2.866 15.262 1.973 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -3.632 16.995 4.177 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.069 17.481 2.591 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.759 17.700 3.615 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.210 18.122 2.005 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.852 15.841 2.766 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.330 16.281 1.152 1.00 0.00 H new ATOM 193 N ILE A 15 -2.227 13.736 3.735 1.00 0.00 N ATOM 194 CA ILE A 15 -1.770 12.860 4.855 1.00 0.00 C ATOM 195 C ILE A 15 -1.117 13.738 5.923 1.00 0.00 C ATOM 196 O ILE A 15 -0.721 14.855 5.655 1.00 0.00 O ATOM 197 CB ILE A 15 -0.775 11.821 4.323 1.00 0.00 C ATOM 198 CG1 ILE A 15 -1.476 10.926 3.297 1.00 0.00 C ATOM 199 CG2 ILE A 15 -0.262 10.954 5.477 1.00 0.00 C ATOM 200 CD1 ILE A 15 -0.456 10.429 2.271 1.00 0.00 C ATOM 0 H ILE A 15 -1.682 13.663 2.876 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.616 12.329 5.292 1.00 0.00 H new ATOM 0 HB ILE A 15 0.064 12.336 3.855 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.946 10.079 3.798 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.270 11.481 2.797 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.444 10.218 5.093 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.236 11.585 6.213 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.101 10.441 5.947 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.955 9.792 1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.007 11.282 1.762 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.322 9.859 2.778 1.00 0.00 H new ATOM 212 N GLU A 16 -1.017 13.267 7.139 1.00 0.00 N ATOM 213 CA GLU A 16 -0.406 14.126 8.201 1.00 0.00 C ATOM 214 C GLU A 16 0.056 13.281 9.390 1.00 0.00 C ATOM 215 O GLU A 16 -0.406 13.445 10.503 1.00 0.00 O ATOM 216 CB GLU A 16 -1.441 15.151 8.671 1.00 0.00 C ATOM 217 CG GLU A 16 -2.818 14.490 8.732 1.00 0.00 C ATOM 218 CD GLU A 16 -3.779 15.381 9.521 1.00 0.00 C ATOM 219 OE1 GLU A 16 -3.509 15.621 10.686 1.00 0.00 O ATOM 220 OE2 GLU A 16 -4.767 15.806 8.947 1.00 0.00 O ATOM 0 H GLU A 16 -1.325 12.343 7.441 1.00 0.00 H new ATOM 0 HA GLU A 16 0.464 14.634 7.785 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.167 15.537 9.653 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.463 16.001 7.989 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.200 14.328 7.724 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.742 13.511 9.205 1.00 0.00 H new ATOM 227 N GLY A 17 0.975 12.392 9.163 1.00 0.00 N ATOM 228 CA GLY A 17 1.498 11.538 10.265 1.00 0.00 C ATOM 229 C GLY A 17 2.607 10.674 9.690 1.00 0.00 C ATOM 230 O GLY A 17 3.699 11.135 9.425 1.00 0.00 O ATOM 0 H GLY A 17 1.393 12.216 8.250 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.877 12.154 11.080 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.703 10.916 10.678 1.00 0.00 H new ATOM 234 N ARG A 18 2.315 9.433 9.449 1.00 0.00 N ATOM 235 CA ARG A 18 3.322 8.530 8.834 1.00 0.00 C ATOM 236 C ARG A 18 2.839 8.237 7.418 1.00 0.00 C ATOM 237 O ARG A 18 1.740 7.760 7.214 1.00 0.00 O ATOM 238 CB ARG A 18 3.433 7.233 9.635 1.00 0.00 C ATOM 239 CG ARG A 18 4.372 7.435 10.825 1.00 0.00 C ATOM 240 CD ARG A 18 4.679 6.079 11.459 1.00 0.00 C ATOM 241 NE ARG A 18 3.476 5.586 12.185 1.00 0.00 N ATOM 242 CZ ARG A 18 3.393 4.331 12.533 1.00 0.00 C ATOM 243 NH1 ARG A 18 4.366 3.509 12.250 1.00 0.00 N ATOM 244 NH2 ARG A 18 2.337 3.898 13.167 1.00 0.00 N ATOM 0 H ARG A 18 1.414 9.000 9.653 1.00 0.00 H new ATOM 0 HA ARG A 18 4.309 8.993 8.824 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.448 6.927 9.986 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.807 6.432 8.997 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.295 7.914 10.498 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.912 8.097 11.559 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.971 5.364 10.690 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.520 6.169 12.146 1.00 0.00 H new ATOM 0 HE ARG A 18 2.717 6.229 12.410 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.192 3.847 11.757 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.301 2.528 12.522 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.577 4.541 13.390 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.272 2.917 13.439 1.00 0.00 H new ATOM 258 N VAL A 19 3.626 8.562 6.439 1.00 0.00 N ATOM 259 CA VAL A 19 3.188 8.353 5.029 1.00 0.00 C ATOM 260 C VAL A 19 3.768 7.062 4.463 1.00 0.00 C ATOM 261 O VAL A 19 4.787 6.573 4.910 1.00 0.00 O ATOM 262 CB VAL A 19 3.686 9.519 4.169 1.00 0.00 C ATOM 263 CG1 VAL A 19 3.127 9.397 2.746 1.00 0.00 C ATOM 264 CG2 VAL A 19 3.224 10.845 4.775 1.00 0.00 C ATOM 0 H VAL A 19 4.557 8.965 6.549 1.00 0.00 H new ATOM 0 HA VAL A 19 2.100 8.294 5.015 1.00 0.00 H new ATOM 0 HB VAL A 19 4.775 9.490 4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.486 10.230 2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.459 8.458 2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.038 9.416 2.780 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.581 11.670 4.159 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.135 10.867 4.815 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.626 10.944 5.783 1.00 0.00 H new ATOM 274 N VAL A 20 3.140 6.536 3.444 1.00 0.00 N ATOM 275 CA VAL A 20 3.659 5.309 2.789 1.00 0.00 C ATOM 276 C VAL A 20 3.920 5.666 1.334 1.00 0.00 C ATOM 277 O VAL A 20 3.012 5.964 0.589 1.00 0.00 O ATOM 278 CB VAL A 20 2.634 4.175 2.874 1.00 0.00 C ATOM 279 CG1 VAL A 20 2.927 3.138 1.783 1.00 0.00 C ATOM 280 CG2 VAL A 20 2.739 3.506 4.245 1.00 0.00 C ATOM 0 H VAL A 20 2.283 6.911 3.037 1.00 0.00 H new ATOM 0 HA VAL A 20 4.568 4.965 3.282 1.00 0.00 H new ATOM 0 HB VAL A 20 1.631 4.578 2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.197 2.330 1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.863 3.612 0.804 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.929 2.733 1.926 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.011 2.697 4.312 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.743 3.103 4.377 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.538 4.241 5.025 1.00 0.00 H new ATOM 290 N ASN A 21 5.153 5.675 0.928 1.00 0.00 N ATOM 291 CA ASN A 21 5.459 6.050 -0.475 1.00 0.00 C ATOM 292 C ASN A 21 5.421 4.810 -1.361 1.00 0.00 C ATOM 293 O ASN A 21 6.307 3.980 -1.331 1.00 0.00 O ATOM 294 CB ASN A 21 6.842 6.687 -0.538 1.00 0.00 C ATOM 295 CG ASN A 21 6.781 8.104 0.036 1.00 0.00 C ATOM 296 OD1 ASN A 21 6.998 9.069 -0.670 1.00 0.00 O ATOM 297 ND2 ASN A 21 6.491 8.272 1.297 1.00 0.00 N ATOM 0 H ASN A 21 5.961 5.440 1.504 1.00 0.00 H new ATOM 0 HA ASN A 21 4.715 6.763 -0.830 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.556 6.086 0.025 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.193 6.716 -1.569 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.447 9.213 1.689 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.309 7.463 1.891 1.00 0.00 H new ATOM 304 N ALA A 22 4.399 4.687 -2.158 1.00 0.00 N ATOM 305 CA ALA A 22 4.286 3.512 -3.061 1.00 0.00 C ATOM 306 C ALA A 22 3.668 3.973 -4.377 1.00 0.00 C ATOM 307 O ALA A 22 3.033 5.006 -4.440 1.00 0.00 O ATOM 308 CB ALA A 22 3.391 2.456 -2.412 1.00 0.00 C ATOM 0 H ALA A 22 3.631 5.356 -2.223 1.00 0.00 H new ATOM 0 HA ALA A 22 5.270 3.079 -3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.307 1.594 -3.073 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.826 2.144 -1.462 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.401 2.876 -2.237 1.00 0.00 H new ATOM 314 N MET A 23 3.856 3.233 -5.435 1.00 0.00 N ATOM 315 CA MET A 23 3.278 3.660 -6.737 1.00 0.00 C ATOM 316 C MET A 23 3.842 5.028 -7.071 1.00 0.00 C ATOM 317 O MET A 23 3.345 5.741 -7.920 1.00 0.00 O ATOM 318 CB MET A 23 1.757 3.759 -6.623 1.00 0.00 C ATOM 319 CG MET A 23 1.208 2.539 -5.880 1.00 0.00 C ATOM 320 SD MET A 23 1.396 1.076 -6.924 1.00 0.00 S ATOM 321 CE MET A 23 1.496 -0.147 -5.598 1.00 0.00 C ATOM 0 H MET A 23 4.381 2.358 -5.454 1.00 0.00 H new ATOM 0 HA MET A 23 3.528 2.937 -7.514 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.482 4.671 -6.094 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.313 3.821 -7.616 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.741 2.401 -4.939 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.158 2.691 -5.632 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.792 -1.110 -6.013 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.234 0.174 -4.862 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.522 -0.243 -5.117 1.00 0.00 H new ATOM 331 N GLY A 24 4.868 5.398 -6.380 1.00 0.00 N ATOM 332 CA GLY A 24 5.485 6.731 -6.608 1.00 0.00 C ATOM 333 C GLY A 24 4.548 7.788 -6.033 1.00 0.00 C ATOM 334 O GLY A 24 4.578 8.942 -6.409 1.00 0.00 O ATOM 0 H GLY A 24 5.315 4.833 -5.658 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.462 6.786 -6.128 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.643 6.901 -7.673 1.00 0.00 H new ATOM 338 N LYS A 25 3.703 7.378 -5.129 1.00 0.00 N ATOM 339 CA LYS A 25 2.725 8.316 -4.508 1.00 0.00 C ATOM 340 C LYS A 25 2.867 8.278 -2.990 1.00 0.00 C ATOM 341 O LYS A 25 3.904 7.955 -2.453 1.00 0.00 O ATOM 342 CB LYS A 25 1.305 7.866 -4.881 1.00 0.00 C ATOM 343 CG LYS A 25 1.084 7.985 -6.398 1.00 0.00 C ATOM 344 CD LYS A 25 -0.179 8.812 -6.671 1.00 0.00 C ATOM 345 CE LYS A 25 -0.574 8.688 -8.142 1.00 0.00 C ATOM 346 NZ LYS A 25 -0.702 7.248 -8.504 1.00 0.00 N ATOM 0 H LYS A 25 3.647 6.418 -4.789 1.00 0.00 H new ATOM 0 HA LYS A 25 2.913 9.328 -4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.149 6.835 -4.565 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.573 8.476 -4.352 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.948 8.457 -6.866 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.984 6.994 -6.840 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.995 8.466 -6.036 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.001 9.858 -6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.517 9.204 -8.321 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.175 9.167 -8.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.349 7.149 -9.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.232 6.870 -8.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.079 6.718 -7.692 1.00 0.00 H new ATOM 360 N GLN A 26 1.811 8.605 -2.306 1.00 0.00 N ATOM 361 CA GLN A 26 1.808 8.602 -0.824 1.00 0.00 C ATOM 362 C GLN A 26 0.514 7.922 -0.386 1.00 0.00 C ATOM 363 O GLN A 26 -0.499 8.039 -1.047 1.00 0.00 O ATOM 364 CB GLN A 26 1.830 10.046 -0.334 1.00 0.00 C ATOM 365 CG GLN A 26 3.233 10.629 -0.546 1.00 0.00 C ATOM 366 CD GLN A 26 3.134 12.102 -0.947 1.00 0.00 C ATOM 367 OE1 GLN A 26 2.057 12.656 -1.036 1.00 0.00 O ATOM 368 NE2 GLN A 26 4.228 12.762 -1.189 1.00 0.00 N ATOM 0 H GLN A 26 0.924 8.882 -2.727 1.00 0.00 H new ATOM 0 HA GLN A 26 2.673 8.079 -0.417 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.092 10.638 -0.875 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.561 10.089 0.721 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.818 10.531 0.368 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.756 10.067 -1.320 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.132 12.296 -1.114 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.182 13.746 -1.454 1.00 0.00 H new ATOM 377 N TRP A 27 0.524 7.189 0.690 1.00 0.00 N ATOM 378 CA TRP A 27 -0.726 6.497 1.102 1.00 0.00 C ATOM 379 C TRP A 27 -0.856 6.506 2.621 1.00 0.00 C ATOM 380 O TRP A 27 0.090 6.220 3.329 1.00 0.00 O ATOM 381 CB TRP A 27 -0.656 5.054 0.598 1.00 0.00 C ATOM 382 CG TRP A 27 -0.426 5.060 -0.881 1.00 0.00 C ATOM 383 CD1 TRP A 27 0.781 5.145 -1.488 1.00 0.00 C ATOM 384 CD2 TRP A 27 -1.411 4.984 -1.945 1.00 0.00 C ATOM 385 NE1 TRP A 27 0.593 5.134 -2.860 1.00 0.00 N ATOM 386 CE2 TRP A 27 -0.742 5.035 -3.190 1.00 0.00 C ATOM 387 CE3 TRP A 27 -2.806 4.879 -1.946 1.00 0.00 C ATOM 388 CZ2 TRP A 27 -1.440 4.986 -4.395 1.00 0.00 C ATOM 389 CZ3 TRP A 27 -3.514 4.827 -3.152 1.00 0.00 C ATOM 390 CH2 TRP A 27 -2.834 4.882 -4.376 1.00 0.00 C ATOM 0 H TRP A 27 1.332 7.040 1.295 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.592 7.007 0.680 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.149 4.519 1.101 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -1.582 4.529 0.832 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.734 5.211 -0.985 1.00 0.00 H new ATOM 0 HE1 TRP A 27 1.349 5.192 -3.542 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -3.341 4.838 -1.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -0.909 5.028 -5.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.591 4.744 -3.139 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -3.386 4.844 -5.303 1.00 0.00 H new ATOM 401 N HIS A 28 -2.022 6.798 3.145 1.00 0.00 N ATOM 402 CA HIS A 28 -2.161 6.769 4.626 1.00 0.00 C ATOM 403 C HIS A 28 -1.672 5.394 5.074 1.00 0.00 C ATOM 404 O HIS A 28 -1.988 4.391 4.466 1.00 0.00 O ATOM 405 CB HIS A 28 -3.624 6.948 5.042 1.00 0.00 C ATOM 406 CG HIS A 28 -4.003 8.402 5.011 1.00 0.00 C ATOM 407 ND1 HIS A 28 -4.959 8.891 4.137 1.00 0.00 N ATOM 408 CD2 HIS A 28 -3.583 9.478 5.747 1.00 0.00 C ATOM 409 CE1 HIS A 28 -5.081 10.211 4.365 1.00 0.00 C ATOM 410 NE2 HIS A 28 -4.263 10.622 5.338 1.00 0.00 N ATOM 0 H HIS A 28 -2.862 7.049 2.623 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.588 7.577 5.081 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.271 6.383 4.372 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.775 6.547 6.044 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -2.837 9.444 6.527 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.757 10.859 3.827 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -4.159 11.569 5.702 1.00 0.00 H new ATOM 418 N VAL A 29 -0.892 5.329 6.103 1.00 0.00 N ATOM 419 CA VAL A 29 -0.378 4.012 6.548 1.00 0.00 C ATOM 420 C VAL A 29 -1.547 3.063 6.789 1.00 0.00 C ATOM 421 O VAL A 29 -1.388 1.858 6.795 1.00 0.00 O ATOM 422 CB VAL A 29 0.416 4.204 7.836 1.00 0.00 C ATOM 423 CG1 VAL A 29 0.640 2.850 8.508 1.00 0.00 C ATOM 424 CG2 VAL A 29 1.764 4.848 7.498 1.00 0.00 C ATOM 0 H VAL A 29 -0.586 6.129 6.658 1.00 0.00 H new ATOM 0 HA VAL A 29 0.269 3.584 5.782 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.136 4.850 8.519 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.208 2.990 9.428 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.323 2.396 8.741 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.196 2.197 7.835 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.339 4.989 8.413 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.317 4.199 6.818 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.596 5.814 7.022 1.00 0.00 H new ATOM 434 N GLU A 30 -2.719 3.593 7.000 1.00 0.00 N ATOM 435 CA GLU A 30 -3.892 2.713 7.252 1.00 0.00 C ATOM 436 C GLU A 30 -4.664 2.453 5.951 1.00 0.00 C ATOM 437 O GLU A 30 -5.416 1.504 5.855 1.00 0.00 O ATOM 438 CB GLU A 30 -4.823 3.368 8.279 1.00 0.00 C ATOM 439 CG GLU A 30 -5.023 4.845 7.935 1.00 0.00 C ATOM 440 CD GLU A 30 -3.831 5.659 8.449 1.00 0.00 C ATOM 441 OE1 GLU A 30 -2.882 5.052 8.915 1.00 0.00 O ATOM 442 OE2 GLU A 30 -3.890 6.875 8.367 1.00 0.00 O ATOM 0 H GLU A 30 -2.915 4.594 7.009 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.531 1.761 7.641 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.785 2.855 8.290 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.400 3.273 9.279 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.122 4.967 6.856 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.947 5.211 8.383 1.00 0.00 H new ATOM 449 N HIS A 31 -4.495 3.280 4.948 1.00 0.00 N ATOM 450 CA HIS A 31 -5.238 3.053 3.667 1.00 0.00 C ATOM 451 C HIS A 31 -4.350 2.322 2.666 1.00 0.00 C ATOM 452 O HIS A 31 -4.815 1.859 1.643 1.00 0.00 O ATOM 453 CB HIS A 31 -5.684 4.392 3.068 1.00 0.00 C ATOM 454 CG HIS A 31 -6.617 5.085 4.025 1.00 0.00 C ATOM 455 ND1 HIS A 31 -6.834 6.461 4.010 1.00 0.00 N ATOM 456 CD2 HIS A 31 -7.411 4.595 5.034 1.00 0.00 C ATOM 457 CE1 HIS A 31 -7.725 6.736 4.980 1.00 0.00 C ATOM 458 NE2 HIS A 31 -8.108 5.638 5.633 1.00 0.00 N ATOM 0 H HIS A 31 -3.881 4.095 4.959 1.00 0.00 H new ATOM 0 HA HIS A 31 -6.117 2.444 3.881 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -4.816 5.021 2.870 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -6.183 4.227 2.113 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -7.483 3.556 5.319 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -8.087 7.729 5.203 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -8.770 5.577 6.406 1.00 0.00 H new ATOM 466 N PHE A 32 -3.086 2.179 2.948 1.00 0.00 N ATOM 467 CA PHE A 32 -2.220 1.438 1.995 1.00 0.00 C ATOM 468 C PHE A 32 -2.480 -0.041 2.217 1.00 0.00 C ATOM 469 O PHE A 32 -2.087 -0.611 3.215 1.00 0.00 O ATOM 470 CB PHE A 32 -0.742 1.751 2.227 1.00 0.00 C ATOM 471 CG PHE A 32 0.042 1.265 1.027 1.00 0.00 C ATOM 472 CD1 PHE A 32 -0.223 1.797 -0.244 1.00 0.00 C ATOM 473 CD2 PHE A 32 1.014 0.270 1.177 1.00 0.00 C ATOM 474 CE1 PHE A 32 0.485 1.337 -1.357 1.00 0.00 C ATOM 475 CE2 PHE A 32 1.719 -0.191 0.059 1.00 0.00 C ATOM 476 CZ PHE A 32 1.455 0.343 -1.207 1.00 0.00 C ATOM 0 H PHE A 32 -2.622 2.537 3.783 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.452 1.733 0.972 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.598 2.823 2.366 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.388 1.262 3.135 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.975 2.563 -0.362 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.220 -0.142 2.154 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.282 1.750 -2.334 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.468 -0.960 0.174 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.001 -0.013 -2.068 1.00 0.00 H new ATOM 486 N VAL A 33 -3.189 -0.652 1.317 1.00 0.00 N ATOM 487 CA VAL A 33 -3.541 -2.084 1.489 1.00 0.00 C ATOM 488 C VAL A 33 -3.304 -2.862 0.205 1.00 0.00 C ATOM 489 O VAL A 33 -2.971 -2.319 -0.829 1.00 0.00 O ATOM 490 CB VAL A 33 -5.030 -2.181 1.820 1.00 0.00 C ATOM 491 CG1 VAL A 33 -5.357 -1.373 3.084 1.00 0.00 C ATOM 492 CG2 VAL A 33 -5.835 -1.629 0.637 1.00 0.00 C ATOM 0 H VAL A 33 -3.543 -0.219 0.464 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.921 -2.499 2.283 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.290 -3.224 2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.422 -1.455 3.303 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.783 -1.764 3.924 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.099 -0.326 2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.900 -1.692 0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.562 -0.588 0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.616 -2.214 -0.256 1.00 0.00 H new ATOM 502 N CYS A 34 -3.517 -4.140 0.276 1.00 0.00 N ATOM 503 CA CYS A 34 -3.361 -5.004 -0.918 1.00 0.00 C ATOM 504 C CYS A 34 -4.373 -4.573 -1.976 1.00 0.00 C ATOM 505 O CYS A 34 -5.455 -4.115 -1.664 1.00 0.00 O ATOM 506 CB CYS A 34 -3.627 -6.447 -0.505 1.00 0.00 C ATOM 507 SG CYS A 34 -4.069 -7.446 -1.951 1.00 0.00 S ATOM 0 H CYS A 34 -3.797 -4.631 1.125 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.354 -4.917 -1.327 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.742 -6.863 -0.024 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.433 -6.480 0.228 1.00 0.00 H new ATOM 512 N ALA A 35 -4.034 -4.708 -3.225 1.00 0.00 N ATOM 513 CA ALA A 35 -4.977 -4.300 -4.299 1.00 0.00 C ATOM 514 C ALA A 35 -5.846 -5.495 -4.701 1.00 0.00 C ATOM 515 O ALA A 35 -6.247 -5.629 -5.840 1.00 0.00 O ATOM 516 CB ALA A 35 -4.165 -3.820 -5.496 1.00 0.00 C ATOM 0 H ALA A 35 -3.143 -5.084 -3.549 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.626 -3.499 -3.947 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.841 -3.516 -6.296 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.548 -2.972 -5.200 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.525 -4.629 -5.849 1.00 0.00 H new ATOM 522 N LYS A 36 -6.137 -6.363 -3.769 1.00 0.00 N ATOM 523 CA LYS A 36 -6.981 -7.558 -4.085 1.00 0.00 C ATOM 524 C LYS A 36 -7.951 -7.828 -2.933 1.00 0.00 C ATOM 525 O LYS A 36 -9.100 -8.167 -3.138 1.00 0.00 O ATOM 526 CB LYS A 36 -6.076 -8.791 -4.265 1.00 0.00 C ATOM 527 CG LYS A 36 -6.611 -9.694 -5.391 1.00 0.00 C ATOM 528 CD LYS A 36 -6.536 -11.164 -4.969 1.00 0.00 C ATOM 529 CE LYS A 36 -7.206 -12.035 -6.034 1.00 0.00 C ATOM 530 NZ LYS A 36 -8.686 -11.897 -5.929 1.00 0.00 N ATOM 0 H LYS A 36 -5.827 -6.298 -2.799 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.540 -7.365 -5.000 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.060 -8.473 -4.498 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.028 -9.353 -3.332 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.642 -9.427 -5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.029 -9.539 -6.300 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.496 -11.464 -4.840 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.029 -11.303 -4.007 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.872 -11.735 -7.027 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.917 -13.078 -5.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.145 -12.672 -6.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.968 -11.937 -4.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.979 -10.986 -6.335 1.00 0.00 H new ATOM 544 N CYS A 37 -7.480 -7.707 -1.722 1.00 0.00 N ATOM 545 CA CYS A 37 -8.350 -7.986 -0.538 1.00 0.00 C ATOM 546 C CYS A 37 -8.482 -6.736 0.329 1.00 0.00 C ATOM 547 O CYS A 37 -9.382 -6.627 1.135 1.00 0.00 O ATOM 548 CB CYS A 37 -7.700 -9.092 0.287 1.00 0.00 C ATOM 549 SG CYS A 37 -6.085 -8.519 0.856 1.00 0.00 S ATOM 0 H CYS A 37 -6.526 -7.426 -1.498 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.341 -8.287 -0.879 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.331 -9.349 1.138 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.590 -9.996 -0.313 1.00 0.00 H new ATOM 554 N GLU A 38 -7.590 -5.797 0.177 1.00 0.00 N ATOM 555 CA GLU A 38 -7.657 -4.560 0.992 1.00 0.00 C ATOM 556 C GLU A 38 -7.181 -4.844 2.415 1.00 0.00 C ATOM 557 O GLU A 38 -7.807 -4.450 3.377 1.00 0.00 O ATOM 558 CB GLU A 38 -9.089 -4.007 1.021 1.00 0.00 C ATOM 559 CG GLU A 38 -9.739 -4.161 -0.362 1.00 0.00 C ATOM 560 CD GLU A 38 -10.712 -3.004 -0.608 1.00 0.00 C ATOM 561 OE1 GLU A 38 -11.210 -2.459 0.363 1.00 0.00 O ATOM 562 OE2 GLU A 38 -10.940 -2.683 -1.762 1.00 0.00 O ATOM 0 H GLU A 38 -6.813 -5.837 -0.483 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.005 -3.813 0.538 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.677 -4.537 1.770 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.076 -2.956 1.311 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.971 -4.174 -1.136 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.268 -5.112 -0.422 1.00 0.00 H new ATOM 569 N LYS A 39 -6.059 -5.502 2.551 1.00 0.00 N ATOM 570 CA LYS A 39 -5.509 -5.785 3.910 1.00 0.00 C ATOM 571 C LYS A 39 -4.391 -4.761 4.178 1.00 0.00 C ATOM 572 O LYS A 39 -3.341 -4.842 3.570 1.00 0.00 O ATOM 573 CB LYS A 39 -4.931 -7.206 3.945 1.00 0.00 C ATOM 574 CG LYS A 39 -4.997 -7.770 5.377 1.00 0.00 C ATOM 575 CD LYS A 39 -3.596 -8.178 5.842 1.00 0.00 C ATOM 576 CE LYS A 39 -3.697 -8.937 7.166 1.00 0.00 C ATOM 577 NZ LYS A 39 -4.244 -8.031 8.217 1.00 0.00 N ATOM 0 H LYS A 39 -5.498 -5.857 1.776 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.289 -5.709 4.668 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.489 -7.851 3.266 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.898 -7.195 3.597 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.410 -7.022 6.053 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.665 -8.631 5.408 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.119 -8.804 5.088 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.970 -7.294 5.965 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.342 -9.808 7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.715 -9.305 7.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.095 -8.456 9.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.757 -7.113 8.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.262 -7.891 8.059 1.00 0.00 H new ATOM 591 N PRO A 40 -4.647 -3.801 5.037 1.00 0.00 N ATOM 592 CA PRO A 40 -3.667 -2.737 5.329 1.00 0.00 C ATOM 593 C PRO A 40 -2.439 -3.265 6.061 1.00 0.00 C ATOM 594 O PRO A 40 -2.529 -4.045 6.989 1.00 0.00 O ATOM 595 CB PRO A 40 -4.414 -1.747 6.225 1.00 0.00 C ATOM 596 CG PRO A 40 -5.773 -2.380 6.592 1.00 0.00 C ATOM 597 CD PRO A 40 -5.914 -3.685 5.789 1.00 0.00 C ATOM 0 HA PRO A 40 -3.298 -2.290 4.406 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.836 -1.534 7.124 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.561 -0.799 5.708 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.824 -2.582 7.662 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.589 -1.697 6.357 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.064 -4.541 6.447 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.771 -3.646 5.117 1.00 0.00 H new ATOM 605 N PHE A 41 -1.296 -2.797 5.661 1.00 0.00 N ATOM 606 CA PHE A 41 -0.030 -3.211 6.339 1.00 0.00 C ATOM 607 C PHE A 41 0.341 -2.157 7.384 1.00 0.00 C ATOM 608 O PHE A 41 1.414 -1.587 7.345 1.00 0.00 O ATOM 609 CB PHE A 41 1.112 -3.327 5.328 1.00 0.00 C ATOM 610 CG PHE A 41 0.571 -3.754 3.991 1.00 0.00 C ATOM 611 CD1 PHE A 41 0.000 -2.810 3.131 1.00 0.00 C ATOM 612 CD2 PHE A 41 0.654 -5.094 3.606 1.00 0.00 C ATOM 613 CE1 PHE A 41 -0.489 -3.210 1.882 1.00 0.00 C ATOM 614 CE2 PHE A 41 0.164 -5.494 2.361 1.00 0.00 C ATOM 615 CZ PHE A 41 -0.407 -4.554 1.497 1.00 0.00 C ATOM 0 H PHE A 41 -1.177 -2.141 4.889 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.185 -4.182 6.810 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.624 -2.370 5.234 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.849 -4.049 5.680 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.063 -1.774 3.430 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.097 -5.821 4.271 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.929 -2.483 1.216 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.226 -6.531 2.065 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.784 -4.864 0.534 1.00 0.00 H new ATOM 625 N LEU A 42 -0.535 -1.885 8.310 1.00 0.00 N ATOM 626 CA LEU A 42 -0.226 -0.857 9.351 1.00 0.00 C ATOM 627 C LEU A 42 1.239 -0.983 9.769 1.00 0.00 C ATOM 628 O LEU A 42 2.002 -0.040 9.701 1.00 0.00 O ATOM 629 CB LEU A 42 -1.120 -1.091 10.571 1.00 0.00 C ATOM 630 CG LEU A 42 -2.441 -0.339 10.387 1.00 0.00 C ATOM 631 CD1 LEU A 42 -3.111 -0.832 9.119 1.00 0.00 C ATOM 632 CD2 LEU A 42 -3.364 -0.601 11.580 1.00 0.00 C ATOM 0 H LEU A 42 -1.450 -2.327 8.394 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.407 0.139 8.947 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.310 -2.157 10.697 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.617 -0.748 11.475 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.244 0.731 10.318 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.054 -0.304 8.977 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.458 -0.646 8.266 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.303 -1.902 9.201 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.301 -0.062 11.440 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.567 -1.669 11.655 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.882 -0.259 12.495 1.00 0.00 H new ATOM 644 N GLY A 43 1.632 -2.149 10.195 1.00 0.00 N ATOM 645 CA GLY A 43 3.047 -2.363 10.616 1.00 0.00 C ATOM 646 C GLY A 43 3.558 -3.675 10.024 1.00 0.00 C ATOM 647 O GLY A 43 4.385 -4.347 10.608 1.00 0.00 O ATOM 0 H GLY A 43 1.031 -2.970 10.271 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.668 -1.533 10.279 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.114 -2.391 11.704 1.00 0.00 H new ATOM 651 N HIS A 44 3.069 -4.045 8.870 1.00 0.00 N ATOM 652 CA HIS A 44 3.522 -5.323 8.237 1.00 0.00 C ATOM 653 C HIS A 44 4.262 -5.026 6.930 1.00 0.00 C ATOM 654 O HIS A 44 4.683 -3.914 6.677 1.00 0.00 O ATOM 655 CB HIS A 44 2.307 -6.211 7.943 1.00 0.00 C ATOM 656 CG HIS A 44 1.252 -5.986 8.989 1.00 0.00 C ATOM 657 ND1 HIS A 44 1.560 -5.596 10.283 1.00 0.00 N ATOM 658 CD2 HIS A 44 -0.115 -6.092 8.945 1.00 0.00 C ATOM 659 CE1 HIS A 44 0.401 -5.484 10.959 1.00 0.00 C ATOM 660 NE2 HIS A 44 -0.651 -5.775 10.189 1.00 0.00 N ATOM 0 H HIS A 44 2.376 -3.519 8.337 1.00 0.00 H new ATOM 0 HA HIS A 44 4.195 -5.839 8.922 1.00 0.00 H new ATOM 0 HB2 HIS A 44 1.908 -5.983 6.955 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.605 -7.260 7.932 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.689 -6.378 8.076 1.00 0.00 H new ATOM 0 HE1 HIS A 44 0.330 -5.194 11.997 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -1.635 -5.767 10.456 1.00 0.00 H new ATOM 668 N ARG A 45 4.421 -6.024 6.102 1.00 0.00 N ATOM 669 CA ARG A 45 5.133 -5.832 4.801 1.00 0.00 C ATOM 670 C ARG A 45 4.129 -5.962 3.653 1.00 0.00 C ATOM 671 O ARG A 45 3.202 -6.744 3.718 1.00 0.00 O ATOM 672 CB ARG A 45 6.215 -6.912 4.657 1.00 0.00 C ATOM 673 CG ARG A 45 6.687 -6.991 3.200 1.00 0.00 C ATOM 674 CD ARG A 45 7.965 -7.829 3.120 1.00 0.00 C ATOM 675 NE ARG A 45 8.553 -7.708 1.756 1.00 0.00 N ATOM 676 CZ ARG A 45 9.784 -8.084 1.541 1.00 0.00 C ATOM 677 NH1 ARG A 45 10.500 -8.564 2.520 1.00 0.00 N ATOM 678 NH2 ARG A 45 10.297 -7.980 0.345 1.00 0.00 N ATOM 0 H ARG A 45 4.086 -6.972 6.271 1.00 0.00 H new ATOM 0 HA ARG A 45 5.593 -4.844 4.773 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.058 -6.683 5.309 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.821 -7.878 4.973 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.909 -7.435 2.579 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.872 -5.989 2.812 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.682 -7.491 3.868 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.743 -8.873 3.341 1.00 0.00 H new ATOM 0 HE ARG A 45 7.994 -7.331 0.991 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.098 -8.646 3.454 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.462 -8.858 2.352 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.736 -7.605 -0.420 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.259 -8.273 0.175 1.00 0.00 H new ATOM 692 N HIS A 46 4.313 -5.210 2.597 1.00 0.00 N ATOM 693 CA HIS A 46 3.372 -5.306 1.442 1.00 0.00 C ATOM 694 C HIS A 46 4.118 -5.775 0.206 1.00 0.00 C ATOM 695 O HIS A 46 5.331 -5.853 0.176 1.00 0.00 O ATOM 696 CB HIS A 46 2.758 -3.945 1.130 1.00 0.00 C ATOM 697 CG HIS A 46 3.855 -2.937 0.930 1.00 0.00 C ATOM 698 ND1 HIS A 46 4.427 -2.245 1.985 1.00 0.00 N ATOM 699 CD2 HIS A 46 4.500 -2.495 -0.203 1.00 0.00 C ATOM 700 CE1 HIS A 46 5.370 -1.432 1.474 1.00 0.00 C ATOM 701 NE2 HIS A 46 5.456 -1.545 0.145 1.00 0.00 N ATOM 0 H HIS A 46 5.071 -4.537 2.486 1.00 0.00 H new ATOM 0 HA HIS A 46 2.587 -6.013 1.710 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.140 -4.009 0.234 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.106 -3.632 1.945 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.296 -2.834 -1.208 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.983 -0.769 2.066 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.087 -1.043 -0.480 1.00 0.00 H new ATOM 709 N TYR A 47 3.382 -6.092 -0.813 1.00 0.00 N ATOM 710 CA TYR A 47 3.990 -6.567 -2.076 1.00 0.00 C ATOM 711 C TYR A 47 3.307 -5.826 -3.227 1.00 0.00 C ATOM 712 O TYR A 47 2.108 -5.654 -3.227 1.00 0.00 O ATOM 713 CB TYR A 47 3.760 -8.073 -2.158 1.00 0.00 C ATOM 714 CG TYR A 47 4.085 -8.673 -0.807 1.00 0.00 C ATOM 715 CD1 TYR A 47 3.249 -8.421 0.294 1.00 0.00 C ATOM 716 CD2 TYR A 47 5.231 -9.456 -0.641 1.00 0.00 C ATOM 717 CE1 TYR A 47 3.564 -8.948 1.549 1.00 0.00 C ATOM 718 CE2 TYR A 47 5.543 -9.977 0.619 1.00 0.00 C ATOM 719 CZ TYR A 47 4.713 -9.723 1.711 1.00 0.00 C ATOM 720 OH TYR A 47 5.031 -10.237 2.952 1.00 0.00 O ATOM 0 H TYR A 47 2.363 -6.041 -0.823 1.00 0.00 H new ATOM 0 HA TYR A 47 5.062 -6.374 -2.126 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.726 -8.286 -2.430 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.390 -8.513 -2.931 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.361 -7.819 0.170 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.875 -9.658 -1.484 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.919 -8.756 2.393 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.431 -10.579 0.747 1.00 0.00 H new ATOM 0 HH TYR A 47 5.745 -10.902 2.858 1.00 0.00 H new ATOM 730 N GLU A 48 4.058 -5.342 -4.181 1.00 0.00 N ATOM 731 CA GLU A 48 3.433 -4.562 -5.296 1.00 0.00 C ATOM 732 C GLU A 48 3.526 -5.315 -6.619 1.00 0.00 C ATOM 733 O GLU A 48 4.430 -6.092 -6.851 1.00 0.00 O ATOM 734 CB GLU A 48 4.138 -3.208 -5.411 1.00 0.00 C ATOM 735 CG GLU A 48 5.627 -3.390 -5.136 1.00 0.00 C ATOM 736 CD GLU A 48 6.358 -2.071 -5.385 1.00 0.00 C ATOM 737 OE1 GLU A 48 6.261 -1.194 -4.543 1.00 0.00 O ATOM 738 OE2 GLU A 48 7.004 -1.960 -6.415 1.00 0.00 O ATOM 0 H GLU A 48 5.071 -5.451 -4.239 1.00 0.00 H new ATOM 0 HA GLU A 48 2.376 -4.415 -5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.989 -2.791 -6.407 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.709 -2.500 -4.701 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.780 -3.714 -4.107 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.034 -4.170 -5.780 1.00 0.00 H new ATOM 745 N ARG A 49 2.572 -5.085 -7.484 1.00 0.00 N ATOM 746 CA ARG A 49 2.568 -5.780 -8.803 1.00 0.00 C ATOM 747 C ARG A 49 1.979 -4.869 -9.884 1.00 0.00 C ATOM 748 O ARG A 49 0.938 -4.266 -9.713 1.00 0.00 O ATOM 749 CB ARG A 49 1.714 -7.042 -8.701 1.00 0.00 C ATOM 750 CG ARG A 49 1.780 -7.827 -10.021 1.00 0.00 C ATOM 751 CD ARG A 49 0.366 -8.044 -10.565 1.00 0.00 C ATOM 752 NE ARG A 49 -0.334 -6.734 -10.681 1.00 0.00 N ATOM 753 CZ ARG A 49 -1.434 -6.643 -11.377 1.00 0.00 C ATOM 754 NH1 ARG A 49 -1.916 -7.697 -11.976 1.00 0.00 N ATOM 755 NH2 ARG A 49 -2.052 -5.498 -11.477 1.00 0.00 N ATOM 0 H ARG A 49 1.794 -4.443 -7.332 1.00 0.00 H new ATOM 0 HA ARG A 49 3.593 -6.036 -9.071 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.067 -7.665 -7.879 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.681 -6.775 -8.478 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.380 -7.282 -10.749 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.269 -8.788 -9.860 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.412 -8.530 -11.539 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.191 -8.707 -9.903 1.00 0.00 H new ATOM 0 HE ARG A 49 0.046 -5.909 -10.217 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.433 -8.592 -11.900 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.776 -7.626 -12.520 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.675 -4.673 -11.011 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.912 -5.428 -12.021 1.00 0.00 H new ATOM 769 N LYS A 50 2.645 -4.778 -11.002 1.00 0.00 N ATOM 770 CA LYS A 50 2.150 -3.926 -12.117 1.00 0.00 C ATOM 771 C LYS A 50 1.821 -2.545 -11.588 1.00 0.00 C ATOM 772 O LYS A 50 1.079 -1.795 -12.191 1.00 0.00 O ATOM 773 CB LYS A 50 0.896 -4.547 -12.737 1.00 0.00 C ATOM 774 CG LYS A 50 1.247 -5.883 -13.399 1.00 0.00 C ATOM 775 CD LYS A 50 0.195 -6.224 -14.458 1.00 0.00 C ATOM 776 CE LYS A 50 0.448 -7.635 -14.995 1.00 0.00 C ATOM 777 NZ LYS A 50 1.732 -7.654 -15.752 1.00 0.00 N ATOM 0 H LYS A 50 3.522 -5.264 -11.191 1.00 0.00 H new ATOM 0 HA LYS A 50 2.925 -3.853 -12.880 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.138 -4.700 -11.969 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.470 -3.867 -13.474 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.234 -5.825 -13.858 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.291 -6.672 -12.648 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.804 -6.162 -14.026 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.236 -5.501 -15.273 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.488 -8.348 -14.171 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.373 -7.942 -15.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.800 -8.537 -16.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.764 -6.842 -16.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.529 -7.597 -15.086 1.00 0.00 H new ATOM 791 N GLY A 51 2.372 -2.195 -10.468 1.00 0.00 N ATOM 792 CA GLY A 51 2.091 -0.850 -9.909 1.00 0.00 C ATOM 793 C GLY A 51 0.862 -0.915 -9.011 1.00 0.00 C ATOM 794 O GLY A 51 0.119 0.038 -8.881 1.00 0.00 O ATOM 0 H GLY A 51 3.002 -2.777 -9.916 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.951 -0.495 -9.341 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.926 -0.137 -10.717 1.00 0.00 H new ATOM 798 N LEU A 52 0.651 -2.033 -8.386 1.00 0.00 N ATOM 799 CA LEU A 52 -0.514 -2.179 -7.473 1.00 0.00 C ATOM 800 C LEU A 52 -0.084 -3.005 -6.271 1.00 0.00 C ATOM 801 O LEU A 52 0.633 -3.977 -6.400 1.00 0.00 O ATOM 802 CB LEU A 52 -1.672 -2.876 -8.191 1.00 0.00 C ATOM 803 CG LEU A 52 -2.462 -1.865 -9.021 1.00 0.00 C ATOM 804 CD1 LEU A 52 -3.595 -2.597 -9.743 1.00 0.00 C ATOM 805 CD2 LEU A 52 -3.044 -0.780 -8.099 1.00 0.00 C ATOM 0 H LEU A 52 1.240 -2.862 -8.468 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.853 -1.194 -7.153 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.287 -3.666 -8.836 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.328 -3.351 -7.462 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.806 -1.391 -9.752 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.166 -1.885 -10.339 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.176 -3.363 -10.396 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.251 -3.065 -9.009 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.607 -0.061 -8.694 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.706 -1.242 -7.366 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.232 -0.268 -7.583 1.00 0.00 H new ATOM 817 N ALA A 53 -0.496 -2.615 -5.103 1.00 0.00 N ATOM 818 CA ALA A 53 -0.082 -3.366 -3.891 1.00 0.00 C ATOM 819 C ALA A 53 -0.798 -4.705 -3.807 1.00 0.00 C ATOM 820 O ALA A 53 -1.904 -4.870 -4.281 1.00 0.00 O ATOM 821 CB ALA A 53 -0.418 -2.558 -2.641 1.00 0.00 C ATOM 0 H ALA A 53 -1.100 -1.811 -4.934 1.00 0.00 H new ATOM 0 HA ALA A 53 0.992 -3.538 -3.955 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.112 -3.114 -1.755 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.110 -1.605 -2.671 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.492 -2.377 -2.603 1.00 0.00 H new ATOM 827 N TYR A 54 -0.168 -5.659 -3.185 1.00 0.00 N ATOM 828 CA TYR A 54 -0.791 -6.991 -3.031 1.00 0.00 C ATOM 829 C TYR A 54 -0.223 -7.658 -1.793 1.00 0.00 C ATOM 830 O TYR A 54 0.953 -7.570 -1.526 1.00 0.00 O ATOM 831 CB TYR A 54 -0.475 -7.848 -4.250 1.00 0.00 C ATOM 832 CG TYR A 54 -1.372 -7.432 -5.373 1.00 0.00 C ATOM 833 CD1 TYR A 54 -2.703 -7.842 -5.384 1.00 0.00 C ATOM 834 CD2 TYR A 54 -0.874 -6.628 -6.393 1.00 0.00 C ATOM 835 CE1 TYR A 54 -3.545 -7.441 -6.430 1.00 0.00 C ATOM 836 CE2 TYR A 54 -1.705 -6.231 -7.431 1.00 0.00 C ATOM 837 CZ TYR A 54 -3.044 -6.633 -7.455 1.00 0.00 C ATOM 838 OH TYR A 54 -3.867 -6.236 -8.488 1.00 0.00 O ATOM 0 H TYR A 54 0.761 -5.568 -2.774 1.00 0.00 H new ATOM 0 HA TYR A 54 -1.871 -6.882 -2.936 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.570 -7.728 -4.536 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.623 -8.903 -4.019 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.085 -8.466 -4.590 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.159 -6.313 -6.377 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.578 -7.755 -6.444 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.316 -5.609 -8.224 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.360 -5.678 -9.114 1.00 0.00 H new ATOM 848 N CYS A 55 -1.033 -8.323 -1.030 1.00 0.00 N ATOM 849 CA CYS A 55 -0.487 -8.983 0.178 1.00 0.00 C ATOM 850 C CYS A 55 0.634 -9.934 -0.252 1.00 0.00 C ATOM 851 O CYS A 55 0.934 -10.066 -1.422 1.00 0.00 O ATOM 852 CB CYS A 55 -1.575 -9.804 0.872 1.00 0.00 C ATOM 853 SG CYS A 55 -2.817 -8.706 1.583 1.00 0.00 S ATOM 0 H CYS A 55 -2.034 -8.438 -1.186 1.00 0.00 H new ATOM 0 HA CYS A 55 -0.115 -8.222 0.865 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.043 -10.481 0.157 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.133 -10.421 1.654 1.00 0.00 H new ATOM 858 N GLU A 56 1.238 -10.613 0.681 1.00 0.00 N ATOM 859 CA GLU A 56 2.322 -11.577 0.326 1.00 0.00 C ATOM 860 C GLU A 56 1.733 -12.725 -0.498 1.00 0.00 C ATOM 861 O GLU A 56 2.362 -13.251 -1.396 1.00 0.00 O ATOM 862 CB GLU A 56 2.922 -12.167 1.605 1.00 0.00 C ATOM 863 CG GLU A 56 4.174 -12.979 1.262 1.00 0.00 C ATOM 864 CD GLU A 56 4.976 -13.244 2.538 1.00 0.00 C ATOM 865 OE1 GLU A 56 4.438 -13.876 3.431 1.00 0.00 O ATOM 866 OE2 GLU A 56 6.115 -12.811 2.598 1.00 0.00 O ATOM 0 H GLU A 56 1.029 -10.544 1.677 1.00 0.00 H new ATOM 0 HA GLU A 56 3.089 -11.054 -0.245 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.175 -11.368 2.302 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.189 -12.803 2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.892 -13.922 0.795 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.786 -12.437 0.541 1.00 0.00 H new ATOM 873 N THR A 57 0.539 -13.135 -0.171 1.00 0.00 N ATOM 874 CA THR A 57 -0.099 -14.273 -0.893 1.00 0.00 C ATOM 875 C THR A 57 -0.844 -13.798 -2.137 1.00 0.00 C ATOM 876 O THR A 57 -0.776 -14.421 -3.174 1.00 0.00 O ATOM 877 CB THR A 57 -1.081 -14.978 0.046 1.00 0.00 C ATOM 878 OG1 THR A 57 -0.363 -15.567 1.121 1.00 0.00 O ATOM 879 CG2 THR A 57 -1.837 -16.065 -0.721 1.00 0.00 C ATOM 0 H THR A 57 -0.028 -12.727 0.572 1.00 0.00 H new ATOM 0 HA THR A 57 0.686 -14.960 -1.209 1.00 0.00 H new ATOM 0 HB THR A 57 -1.794 -14.252 0.437 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.990 -16.018 1.725 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.535 -16.565 -0.050 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.387 -15.612 -1.546 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.128 -16.793 -1.114 1.00 0.00 H new ATOM 887 N HIS A 58 -1.563 -12.718 -2.056 1.00 0.00 N ATOM 888 CA HIS A 58 -2.302 -12.256 -3.250 1.00 0.00 C ATOM 889 C HIS A 58 -1.295 -11.838 -4.301 1.00 0.00 C ATOM 890 O HIS A 58 -1.407 -12.192 -5.455 1.00 0.00 O ATOM 891 CB HIS A 58 -3.214 -11.092 -2.869 1.00 0.00 C ATOM 892 CG HIS A 58 -4.260 -11.595 -1.902 1.00 0.00 C ATOM 893 ND1 HIS A 58 -4.708 -10.858 -0.806 1.00 0.00 N ATOM 894 CD2 HIS A 58 -4.952 -12.783 -1.854 1.00 0.00 C ATOM 895 CE1 HIS A 58 -5.620 -11.610 -0.161 1.00 0.00 C ATOM 896 NE2 HIS A 58 -5.805 -12.789 -0.757 1.00 0.00 N ATOM 0 H HIS A 58 -1.669 -12.142 -1.221 1.00 0.00 H new ATOM 0 HA HIS A 58 -2.927 -13.055 -3.650 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.633 -10.290 -2.414 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.689 -10.677 -3.758 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -4.848 -13.591 -2.563 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -6.140 -11.296 0.732 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -6.438 -13.536 -0.469 1.00 0.00 H new ATOM 904 N TYR A 59 -0.283 -11.131 -3.911 1.00 0.00 N ATOM 905 CA TYR A 59 0.742 -10.743 -4.887 1.00 0.00 C ATOM 906 C TYR A 59 1.199 -12.000 -5.582 1.00 0.00 C ATOM 907 O TYR A 59 1.149 -12.134 -6.788 1.00 0.00 O ATOM 908 CB TYR A 59 1.927 -10.156 -4.135 1.00 0.00 C ATOM 909 CG TYR A 59 3.098 -10.002 -5.072 1.00 0.00 C ATOM 910 CD1 TYR A 59 2.886 -9.612 -6.395 1.00 0.00 C ATOM 911 CD2 TYR A 59 4.396 -10.251 -4.614 1.00 0.00 C ATOM 912 CE1 TYR A 59 3.966 -9.468 -7.257 1.00 0.00 C ATOM 913 CE2 TYR A 59 5.482 -10.105 -5.481 1.00 0.00 C ATOM 914 CZ TYR A 59 5.267 -9.711 -6.805 1.00 0.00 C ATOM 915 OH TYR A 59 6.336 -9.566 -7.665 1.00 0.00 O ATOM 0 H TYR A 59 -0.126 -10.807 -2.957 1.00 0.00 H new ATOM 0 HA TYR A 59 0.351 -10.016 -5.599 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.658 -9.188 -3.712 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.198 -10.804 -3.302 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.883 -9.422 -6.748 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.559 -10.556 -3.591 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.800 -9.167 -8.281 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.485 -10.296 -5.129 1.00 0.00 H new ATOM 0 HH TYR A 59 7.173 -9.634 -7.160 1.00 0.00 H new ATOM 925 N ASN A 60 1.650 -12.926 -4.800 1.00 0.00 N ATOM 926 CA ASN A 60 2.125 -14.196 -5.367 1.00 0.00 C ATOM 927 C ASN A 60 0.960 -14.911 -6.040 1.00 0.00 C ATOM 928 O ASN A 60 1.083 -15.405 -7.143 1.00 0.00 O ATOM 929 CB ASN A 60 2.707 -15.076 -4.262 1.00 0.00 C ATOM 930 CG ASN A 60 4.105 -14.578 -3.890 1.00 0.00 C ATOM 931 OD1 ASN A 60 5.076 -14.915 -4.538 1.00 0.00 O ATOM 932 ND2 ASN A 60 4.249 -13.784 -2.863 1.00 0.00 N ATOM 0 H ASN A 60 1.709 -12.854 -3.784 1.00 0.00 H new ATOM 0 HA ASN A 60 2.904 -13.996 -6.103 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.058 -15.055 -3.387 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.756 -16.112 -4.597 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.176 -13.447 -2.605 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.434 -13.501 -2.319 1.00 0.00 H new ATOM 939 N GLN A 61 -0.180 -14.955 -5.406 1.00 0.00 N ATOM 940 CA GLN A 61 -1.336 -15.626 -6.063 1.00 0.00 C ATOM 941 C GLN A 61 -1.519 -14.960 -7.418 1.00 0.00 C ATOM 942 O GLN A 61 -1.876 -15.580 -8.399 1.00 0.00 O ATOM 943 CB GLN A 61 -2.607 -15.459 -5.227 1.00 0.00 C ATOM 944 CG GLN A 61 -3.655 -16.477 -5.683 1.00 0.00 C ATOM 945 CD GLN A 61 -4.901 -16.357 -4.804 1.00 0.00 C ATOM 946 OE1 GLN A 61 -6.008 -16.310 -5.303 1.00 0.00 O ATOM 947 NE2 GLN A 61 -4.768 -16.303 -3.508 1.00 0.00 N ATOM 0 H GLN A 61 -0.359 -14.564 -4.481 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.149 -16.695 -6.166 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.381 -15.602 -4.170 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.996 -14.447 -5.336 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.916 -16.303 -6.727 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.248 -17.486 -5.620 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.839 -16.342 -3.089 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -5.593 -16.221 -2.914 1.00 0.00 H new ATOM 956 N LEU A 62 -1.247 -13.689 -7.464 1.00 0.00 N ATOM 957 CA LEU A 62 -1.364 -12.933 -8.737 1.00 0.00 C ATOM 958 C LEU A 62 -0.136 -13.209 -9.606 1.00 0.00 C ATOM 959 O LEU A 62 -0.218 -13.260 -10.817 1.00 0.00 O ATOM 960 CB LEU A 62 -1.440 -11.431 -8.429 1.00 0.00 C ATOM 961 CG LEU A 62 -2.901 -10.988 -8.304 1.00 0.00 C ATOM 962 CD1 LEU A 62 -3.446 -11.351 -6.926 1.00 0.00 C ATOM 963 CD2 LEU A 62 -2.993 -9.478 -8.487 1.00 0.00 C ATOM 0 H LEU A 62 -0.945 -13.135 -6.663 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.264 -13.245 -9.267 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.907 -11.215 -7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.948 -10.865 -9.220 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.487 -11.495 -9.071 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.485 -11.031 -6.850 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.387 -12.430 -6.784 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.855 -10.852 -6.158 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.033 -9.163 -8.398 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.397 -8.982 -7.721 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.615 -9.207 -9.473 1.00 0.00 H new ATOM 975 N PHE A 63 1.004 -13.373 -8.998 1.00 0.00 N ATOM 976 CA PHE A 63 2.241 -13.629 -9.791 1.00 0.00 C ATOM 977 C PHE A 63 3.298 -14.298 -8.914 1.00 0.00 C ATOM 978 O PHE A 63 3.485 -15.498 -8.947 1.00 0.00 O ATOM 979 CB PHE A 63 2.788 -12.294 -10.311 1.00 0.00 C ATOM 980 CG PHE A 63 2.117 -11.948 -11.618 1.00 0.00 C ATOM 981 CD1 PHE A 63 2.607 -12.472 -12.820 1.00 0.00 C ATOM 982 CD2 PHE A 63 1.002 -11.107 -11.624 1.00 0.00 C ATOM 983 CE1 PHE A 63 1.981 -12.152 -14.029 1.00 0.00 C ATOM 984 CE2 PHE A 63 0.372 -10.786 -12.833 1.00 0.00 C ATOM 985 CZ PHE A 63 0.862 -11.309 -14.036 1.00 0.00 C ATOM 0 H PHE A 63 1.135 -13.341 -7.987 1.00 0.00 H new ATOM 0 HA PHE A 63 2.002 -14.287 -10.626 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.610 -11.506 -9.579 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.867 -12.361 -10.451 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.468 -13.123 -12.814 1.00 0.00 H new ATOM 0 HD2 PHE A 63 0.625 -10.704 -10.696 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.360 -12.555 -14.957 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -0.491 -10.136 -12.837 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.377 -11.063 -14.969 1.00 0.00 H new ATOM 995 N GLY A 64 3.996 -13.522 -8.138 1.00 0.00 N ATOM 996 CA GLY A 64 5.057 -14.095 -7.259 1.00 0.00 C ATOM 997 C GLY A 64 6.377 -14.156 -8.025 1.00 0.00 C ATOM 998 O GLY A 64 7.196 -15.028 -7.804 1.00 0.00 O ATOM 0 H GLY A 64 3.879 -12.511 -8.072 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.172 -13.483 -6.364 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.770 -15.093 -6.928 1.00 0.00 H new ATOM 1002 N ASP A 65 6.592 -13.238 -8.924 1.00 0.00 N ATOM 1003 CA ASP A 65 7.859 -13.240 -9.706 1.00 0.00 C ATOM 1004 C ASP A 65 8.094 -14.634 -10.291 1.00 0.00 C ATOM 1005 O ASP A 65 9.192 -15.153 -10.262 1.00 0.00 O ATOM 1006 CB ASP A 65 9.027 -12.869 -8.787 1.00 0.00 C ATOM 1007 CG ASP A 65 8.679 -11.602 -8.005 1.00 0.00 C ATOM 1008 OD1 ASP A 65 8.557 -10.560 -8.628 1.00 0.00 O ATOM 1009 OD2 ASP A 65 8.542 -11.694 -6.796 1.00 0.00 O ATOM 0 H ASP A 65 5.943 -12.484 -9.152 1.00 0.00 H new ATOM 0 HA ASP A 65 7.788 -12.513 -10.515 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.236 -13.688 -8.099 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.930 -12.709 -9.376 1.00 0.00 H new ATOM 1014 N VAL A 66 7.070 -15.244 -10.824 1.00 0.00 N ATOM 1015 CA VAL A 66 7.235 -16.605 -11.412 1.00 0.00 C ATOM 1016 C VAL A 66 5.957 -16.997 -12.155 1.00 0.00 C ATOM 1017 O VAL A 66 4.887 -16.737 -11.631 1.00 0.00 O ATOM 1018 CB VAL A 66 7.506 -17.614 -10.294 1.00 0.00 C ATOM 1019 CG1 VAL A 66 6.293 -17.687 -9.367 1.00 0.00 C ATOM 1020 CG2 VAL A 66 7.767 -18.993 -10.903 1.00 0.00 C ATOM 1021 OXT VAL A 66 6.070 -17.550 -13.237 1.00 0.00 O ATOM 0 H VAL A 66 6.127 -14.859 -10.878 1.00 0.00 H new ATOM 0 HA VAL A 66 8.073 -16.601 -12.109 1.00 0.00 H new ATOM 0 HB VAL A 66 8.380 -17.298 -9.724 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.486 -18.406 -8.571 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.108 -16.705 -8.932 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.419 -18.003 -9.936 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.960 -19.712 -10.107 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.894 -19.310 -11.474 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.633 -18.941 -11.563 1.00 0.00 H new TER 1031 VAL A 66 HETATM 1032 ZN ZN A 67 -5.979 7.814 2.800 1.00 0.00 ZN HETATM 1033 ZN ZN A 68 -4.149 -9.014 -0.270 1.00 0.00 ZN