USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 753 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 7 HIS HD1 : A 7 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 104 ZNZN :(H bumps) USER MOD NoAdj-H: A 63 HIS HD1 : A 63 HIS ND1 : A 104 ZNZN :(H bumps) USER MOD Set 1.1: A 21 CYS SG : rot 10:sc= 1.04 USER MOD Set 1.2: A 24 CYS SG : rot 91:sc= 1.13 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.131 (180deg=-0.648) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -145:sc= 0.779 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= -0.335 USER MOD Single : A 33 HIS : no HE2:sc= -0.895! C(o=-0.9!,f=-6.3!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 45 CYS SG : rot -120:sc= -1.21 USER MOD Single : A 46 CYS SG : rot 180:sc= 0.478 USER MOD Single : A 49 SER OG : rot 140:sc= 0.751 USER MOD Single : A 51 HIS : no HE2:sc= 1 K(o=1,f=-5.7!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 1.25 (180deg=1.25) USER MOD Single : A 53 HIS : no HD1:sc= -0.066 X(o=-0.066,f=0) USER MOD Single : A 55 THR OG1 : rot 3:sc= 0.299 USER MOD Single : A 59 HIS : no HD1:sc= -0.978 K(o=-0.98,f=0.26) USER MOD Single : A 61 THR OG1 : rot -63:sc= 1.08 USER MOD Single : A 69 TYR OH : rot 123:sc= 0.794 USER MOD Single : A 79 TYR OH : rot -120:sc= -2.41! USER MOD Single : A 84 MET CE :methyl -162:sc= -0.135 (180deg=-0.707) USER MOD Single : A 88 SER OG : rot 103:sc= 0.697 USER MOD Single : A 91 MET CE :methyl -167:sc= -0.696 (180deg=-1.28!) USER MOD Single : A 92 THR OG1 : rot 87:sc= 1.22 USER MOD Single : A 94 HIS : no HD1:sc= -0.331 K(o=-0.33,f=-1.4) USER MOD Single : A 95 ASN : amide:sc= -0.482 K(o=-0.48,f=-1) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.064 1.373 -0.522 1.00 0.00 N ATOM 2 CA MET A 1 4.285 0.159 -0.191 1.00 0.00 C ATOM 3 C MET A 1 4.426 -0.879 -1.294 1.00 0.00 C ATOM 4 O MET A 1 4.277 -0.566 -2.474 1.00 0.00 O ATOM 5 CB MET A 1 2.806 0.515 0.000 1.00 0.00 C ATOM 6 CG MET A 1 1.906 -0.697 0.187 1.00 0.00 C ATOM 7 SD MET A 1 0.183 -0.255 0.498 1.00 0.00 S ATOM 8 CE MET A 1 -0.210 0.666 -0.989 1.00 0.00 C ATOM 0 H1 MET A 1 4.958 2.072 0.240 1.00 0.00 H new ATOM 0 H2 MET A 1 6.068 1.124 -0.625 1.00 0.00 H new ATOM 0 H3 MET A 1 4.714 1.778 -1.414 1.00 0.00 H new ATOM 0 HA MET A 1 4.674 -0.258 0.738 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.707 1.167 0.868 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.463 1.082 -0.866 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.960 -1.323 -0.703 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.278 -1.294 1.020 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.292 0.715 -1.111 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.192 1.676 -0.908 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.231 0.168 -1.853 1.00 0.00 H new ATOM 20 N THR A 2 4.717 -2.114 -0.915 1.00 0.00 N ATOM 21 CA THR A 2 4.822 -3.188 -1.885 1.00 0.00 C ATOM 22 C THR A 2 3.575 -4.077 -1.850 1.00 0.00 C ATOM 23 O THR A 2 2.834 -4.137 -2.829 1.00 0.00 O ATOM 24 CB THR A 2 6.117 -4.023 -1.693 1.00 0.00 C ATOM 25 OG1 THR A 2 6.058 -5.228 -2.464 1.00 0.00 O ATOM 26 CG2 THR A 2 6.367 -4.362 -0.230 1.00 0.00 C ATOM 0 H THR A 2 4.883 -2.394 0.052 1.00 0.00 H new ATOM 0 HA THR A 2 4.885 -2.730 -2.872 1.00 0.00 H new ATOM 0 HB THR A 2 6.947 -3.408 -2.042 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.883 -5.741 -2.333 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.283 -4.946 -0.143 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.468 -3.441 0.345 1.00 0.00 H new ATOM 0 HG23 THR A 2 5.529 -4.941 0.158 1.00 0.00 H new ATOM 34 N MET A 3 3.319 -4.722 -0.712 1.00 0.00 N ATOM 35 CA MET A 3 2.180 -5.628 -0.565 1.00 0.00 C ATOM 36 C MET A 3 1.857 -5.846 0.905 1.00 0.00 C ATOM 37 O MET A 3 2.717 -5.669 1.770 1.00 0.00 O ATOM 38 CB MET A 3 2.459 -6.991 -1.220 1.00 0.00 C ATOM 39 CG MET A 3 2.226 -7.027 -2.722 1.00 0.00 C ATOM 40 SD MET A 3 0.521 -6.634 -3.165 1.00 0.00 S ATOM 41 CE MET A 3 0.608 -6.731 -4.952 1.00 0.00 C ATOM 0 H MET A 3 3.890 -4.632 0.128 1.00 0.00 H new ATOM 0 HA MET A 3 1.331 -5.162 -1.065 1.00 0.00 H new ATOM 0 HB2 MET A 3 3.493 -7.272 -1.018 1.00 0.00 H new ATOM 0 HB3 MET A 3 1.826 -7.743 -0.749 1.00 0.00 H new ATOM 0 HG2 MET A 3 2.897 -6.319 -3.208 1.00 0.00 H new ATOM 0 HG3 MET A 3 2.478 -8.017 -3.102 1.00 0.00 H new ATOM 0 HE1 MET A 3 -0.372 -6.512 -5.376 1.00 0.00 H new ATOM 0 HE2 MET A 3 1.333 -6.006 -5.321 1.00 0.00 H new ATOM 0 HE3 MET A 3 0.916 -7.734 -5.247 1.00 0.00 H new ATOM 51 N GLY A 4 0.614 -6.216 1.180 1.00 0.00 N ATOM 52 CA GLY A 4 0.236 -6.621 2.517 1.00 0.00 C ATOM 53 C GLY A 4 0.301 -8.127 2.660 1.00 0.00 C ATOM 54 O GLY A 4 0.955 -8.795 1.857 1.00 0.00 O ATOM 0 H GLY A 4 -0.142 -6.243 0.496 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.899 -6.153 3.245 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.774 -6.273 2.736 1.00 0.00 H new ATOM 58 N CYS A 5 -0.383 -8.678 3.652 1.00 0.00 N ATOM 59 CA CYS A 5 -0.364 -10.120 3.860 1.00 0.00 C ATOM 60 C CYS A 5 -1.431 -10.553 4.860 1.00 0.00 C ATOM 61 O CYS A 5 -1.991 -9.726 5.580 1.00 0.00 O ATOM 62 CB CYS A 5 1.016 -10.574 4.341 1.00 0.00 C ATOM 63 SG CYS A 5 1.453 -9.995 6.010 1.00 0.00 S ATOM 0 H CYS A 5 -0.952 -8.157 4.319 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.583 -10.593 2.903 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.053 -11.663 4.325 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.769 -10.219 3.637 1.00 0.00 H new ATOM 68 N ARG A 6 -1.682 -11.862 4.901 1.00 0.00 N ATOM 69 CA ARG A 6 -2.682 -12.467 5.789 1.00 0.00 C ATOM 70 C ARG A 6 -2.484 -12.058 7.250 1.00 0.00 C ATOM 71 O ARG A 6 -3.447 -11.944 8.007 1.00 0.00 O ATOM 72 CB ARG A 6 -2.611 -13.993 5.669 1.00 0.00 C ATOM 73 CG ARG A 6 -1.241 -14.566 6.009 1.00 0.00 C ATOM 74 CD ARG A 6 -1.172 -16.064 5.767 1.00 0.00 C ATOM 75 NE ARG A 6 -2.108 -16.809 6.607 1.00 0.00 N ATOM 76 CZ ARG A 6 -1.942 -18.082 6.960 1.00 0.00 C ATOM 77 NH1 ARG A 6 -0.838 -18.735 6.614 1.00 0.00 N ATOM 78 NH2 ARG A 6 -2.878 -18.695 7.673 1.00 0.00 N ATOM 0 H ARG A 6 -1.194 -12.540 4.315 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.662 -12.105 5.478 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.356 -14.437 6.330 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.875 -14.282 4.652 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.481 -14.067 5.408 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.010 -14.357 7.054 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.386 -16.270 4.718 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.158 -16.414 5.960 1.00 0.00 H new ATOM 0 HE ARG A 6 -2.940 -16.324 6.943 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.113 -18.261 6.076 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.716 -19.710 6.887 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.721 -18.191 7.949 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.755 -19.670 7.945 1.00 0.00 H new ATOM 92 N HIS A 7 -1.230 -11.825 7.627 1.00 0.00 N ATOM 93 CA HIS A 7 -0.877 -11.477 9.003 1.00 0.00 C ATOM 94 C HIS A 7 -1.540 -10.174 9.441 1.00 0.00 C ATOM 95 O HIS A 7 -1.728 -9.936 10.632 1.00 0.00 O ATOM 96 CB HIS A 7 0.642 -11.361 9.164 1.00 0.00 C ATOM 97 CG HIS A 7 1.382 -12.631 8.879 1.00 0.00 C ATOM 98 ND1 HIS A 7 2.562 -12.627 8.175 1.00 0.00 N ATOM 99 CD2 HIS A 7 1.081 -13.904 9.233 1.00 0.00 C ATOM 100 CE1 HIS A 7 2.950 -13.888 8.118 1.00 0.00 C ATOM 101 NE2 HIS A 7 2.084 -14.698 8.744 1.00 0.00 N ATOM 0 H HIS A 7 -0.433 -11.871 6.992 1.00 0.00 H new ATOM 0 HA HIS A 7 -1.244 -12.281 9.641 1.00 0.00 H new ATOM 0 HB2 HIS A 7 1.009 -10.581 8.497 1.00 0.00 H new ATOM 0 HB3 HIS A 7 0.866 -11.042 10.182 1.00 0.00 H new ATOM 0 HD2 HIS A 7 0.217 -14.230 9.793 1.00 0.00 H new ATOM 0 HE1 HIS A 7 3.852 -14.225 7.628 1.00 0.00 H new ATOM 0 HE2 HIS A 7 2.158 -15.711 8.838 1.00 0.00 H new ATOM 109 N VAL A 8 -1.879 -9.328 8.471 1.00 0.00 N ATOM 110 CA VAL A 8 -2.461 -8.021 8.754 1.00 0.00 C ATOM 111 C VAL A 8 -3.791 -8.163 9.507 1.00 0.00 C ATOM 112 O VAL A 8 -4.190 -7.279 10.254 1.00 0.00 O ATOM 113 CB VAL A 8 -2.647 -7.183 7.462 1.00 0.00 C ATOM 114 CG1 VAL A 8 -4.052 -7.307 6.903 1.00 0.00 C ATOM 115 CG2 VAL A 8 -2.305 -5.725 7.717 1.00 0.00 C ATOM 0 H VAL A 8 -1.759 -9.527 7.478 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.760 -7.486 9.394 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.961 -7.582 6.715 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.138 -6.704 5.999 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.258 -8.350 6.665 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.771 -6.955 7.643 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.442 -5.153 6.799 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.960 -5.328 8.493 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.268 -5.646 8.043 1.00 0.00 H new ATOM 125 N ALA A 9 -4.479 -9.281 9.305 1.00 0.00 N ATOM 126 CA ALA A 9 -5.748 -9.520 9.981 1.00 0.00 C ATOM 127 C ALA A 9 -5.533 -9.966 11.429 1.00 0.00 C ATOM 128 O ALA A 9 -6.493 -10.194 12.166 1.00 0.00 O ATOM 129 CB ALA A 9 -6.562 -10.553 9.223 1.00 0.00 C ATOM 0 H ALA A 9 -4.181 -10.032 8.682 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.300 -8.580 10.001 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.507 -10.722 9.739 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.759 -10.192 8.214 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.005 -11.488 9.171 1.00 0.00 H new ATOM 135 N GLY A 10 -4.272 -10.091 11.828 1.00 0.00 N ATOM 136 CA GLY A 10 -3.955 -10.478 13.190 1.00 0.00 C ATOM 137 C GLY A 10 -3.491 -9.302 14.030 1.00 0.00 C ATOM 138 O GLY A 10 -3.249 -9.440 15.229 1.00 0.00 O ATOM 0 H GLY A 10 -3.461 -9.931 11.230 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.834 -10.927 13.652 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.177 -11.241 13.177 1.00 0.00 H new ATOM 142 N ILE A 11 -3.356 -8.144 13.398 1.00 0.00 N ATOM 143 CA ILE A 11 -2.946 -6.935 14.098 1.00 0.00 C ATOM 144 C ILE A 11 -4.150 -6.056 14.397 1.00 0.00 C ATOM 145 O ILE A 11 -5.168 -6.117 13.706 1.00 0.00 O ATOM 146 CB ILE A 11 -1.908 -6.120 13.296 1.00 0.00 C ATOM 147 CG1 ILE A 11 -2.493 -5.706 11.942 1.00 0.00 C ATOM 148 CG2 ILE A 11 -0.630 -6.926 13.120 1.00 0.00 C ATOM 149 CD1 ILE A 11 -1.542 -4.941 11.047 1.00 0.00 C ATOM 0 H ILE A 11 -3.525 -8.017 12.400 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.480 -7.255 15.030 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.662 -5.213 13.849 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.824 -6.601 11.416 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.378 -5.094 12.116 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.094 -6.341 12.553 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.215 -7.168 14.098 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.852 -7.848 12.582 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.044 -4.691 10.112 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.229 -4.024 11.547 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.667 -5.556 10.836 1.00 0.00 H new ATOM 161 N ARG A 12 -4.041 -5.256 15.439 1.00 0.00 N ATOM 162 CA ARG A 12 -5.099 -4.332 15.801 1.00 0.00 C ATOM 163 C ARG A 12 -4.525 -2.939 15.991 1.00 0.00 C ATOM 164 O ARG A 12 -3.305 -2.762 16.027 1.00 0.00 O ATOM 165 CB ARG A 12 -5.846 -4.786 17.067 1.00 0.00 C ATOM 166 CG ARG A 12 -4.953 -5.211 18.227 1.00 0.00 C ATOM 167 CD ARG A 12 -4.492 -6.652 18.074 1.00 0.00 C ATOM 168 NE ARG A 12 -3.723 -7.120 19.223 1.00 0.00 N ATOM 169 CZ ARG A 12 -3.241 -8.357 19.334 1.00 0.00 C ATOM 170 NH1 ARG A 12 -3.434 -9.240 18.359 1.00 0.00 N ATOM 171 NH2 ARG A 12 -2.564 -8.708 20.417 1.00 0.00 N ATOM 0 H ARG A 12 -3.227 -5.227 16.053 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.824 -4.315 14.987 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.488 -3.972 17.403 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.498 -5.620 16.806 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.085 -4.554 18.280 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.495 -5.099 19.166 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.361 -7.295 17.937 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.884 -6.742 17.174 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.545 -6.464 19.983 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.952 -8.971 17.523 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.064 -10.186 18.447 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.412 -8.031 21.165 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.195 -9.655 20.503 1.00 0.00 H new ATOM 185 N THR A 13 -5.394 -1.952 16.074 1.00 0.00 N ATOM 186 CA THR A 13 -4.961 -0.590 16.300 1.00 0.00 C ATOM 187 C THR A 13 -4.696 -0.374 17.783 1.00 0.00 C ATOM 188 O THR A 13 -5.620 -0.245 18.590 1.00 0.00 O ATOM 189 CB THR A 13 -5.994 0.422 15.783 1.00 0.00 C ATOM 190 OG1 THR A 13 -6.416 0.043 14.464 1.00 0.00 O ATOM 191 CG2 THR A 13 -5.398 1.819 15.737 1.00 0.00 C ATOM 0 H THR A 13 -6.404 -2.068 15.988 1.00 0.00 H new ATOM 0 HA THR A 13 -4.038 -0.428 15.743 1.00 0.00 H new ATOM 0 HB THR A 13 -6.848 0.426 16.461 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.077 0.687 14.134 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.145 2.521 15.368 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.085 2.114 16.739 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.535 1.825 15.071 1.00 0.00 H new ATOM 199 N VAL A 14 -3.422 -0.369 18.130 1.00 0.00 N ATOM 200 CA VAL A 14 -3.000 -0.319 19.517 1.00 0.00 C ATOM 201 C VAL A 14 -2.790 1.121 19.980 1.00 0.00 C ATOM 202 O VAL A 14 -2.997 2.068 19.220 1.00 0.00 O ATOM 203 CB VAL A 14 -1.699 -1.130 19.719 1.00 0.00 C ATOM 204 CG1 VAL A 14 -1.932 -2.600 19.401 1.00 0.00 C ATOM 205 CG2 VAL A 14 -0.576 -0.565 18.857 1.00 0.00 C ATOM 0 H VAL A 14 -2.653 -0.399 17.460 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.793 -0.762 20.119 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.401 -1.048 20.764 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.006 -3.155 19.549 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.703 -2.997 20.061 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.255 -2.701 18.365 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.331 -1.149 19.013 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.863 -0.614 17.807 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.392 0.473 19.134 1.00 0.00 H new ATOM 215 N THR A 15 -2.394 1.273 21.233 1.00 0.00 N ATOM 216 CA THR A 15 -2.109 2.578 21.801 1.00 0.00 C ATOM 217 C THR A 15 -0.627 2.660 22.172 1.00 0.00 C ATOM 218 O THR A 15 -0.071 1.705 22.716 1.00 0.00 O ATOM 219 CB THR A 15 -2.986 2.826 23.050 1.00 0.00 C ATOM 220 OG1 THR A 15 -4.367 2.608 22.723 1.00 0.00 O ATOM 221 CG2 THR A 15 -2.812 4.241 23.585 1.00 0.00 C ATOM 0 H THR A 15 -2.262 0.497 21.882 1.00 0.00 H new ATOM 0 HA THR A 15 -2.339 3.346 21.062 1.00 0.00 H new ATOM 0 HB THR A 15 -2.669 2.128 23.824 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.920 2.764 23.517 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.444 4.378 24.463 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.769 4.400 23.860 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.098 4.958 22.816 1.00 0.00 H new ATOM 229 N PRO A 16 0.042 3.782 21.850 1.00 0.00 N ATOM 230 CA PRO A 16 1.467 3.962 22.141 1.00 0.00 C ATOM 231 C PRO A 16 1.771 3.889 23.633 1.00 0.00 C ATOM 232 O PRO A 16 1.235 4.664 24.427 1.00 0.00 O ATOM 233 CB PRO A 16 1.781 5.362 21.606 1.00 0.00 C ATOM 234 CG PRO A 16 0.681 5.670 20.652 1.00 0.00 C ATOM 235 CD PRO A 16 -0.531 4.957 21.174 1.00 0.00 C ATOM 0 HA PRO A 16 2.068 3.175 21.685 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.818 6.093 22.414 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.751 5.386 21.110 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.506 6.744 20.592 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.930 5.331 19.647 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.101 5.581 21.863 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.208 4.670 20.370 1.00 0.00 H new ATOM 243 N SER A 17 2.624 2.946 24.004 1.00 0.00 N ATOM 244 CA SER A 17 3.047 2.792 25.387 1.00 0.00 C ATOM 245 C SER A 17 4.031 3.900 25.770 1.00 0.00 C ATOM 246 O SER A 17 4.136 4.282 26.937 1.00 0.00 O ATOM 247 CB SER A 17 3.681 1.409 25.576 1.00 0.00 C ATOM 248 OG SER A 17 4.085 1.191 26.915 1.00 0.00 O ATOM 0 H SER A 17 3.039 2.272 23.361 1.00 0.00 H new ATOM 0 HA SER A 17 2.179 2.874 26.041 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.967 0.639 25.283 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.543 1.312 24.916 1.00 0.00 H new ATOM 0 HG SER A 17 4.907 0.658 26.926 1.00 0.00 H new ATOM 254 N ALA A 18 4.730 4.431 24.774 1.00 0.00 N ATOM 255 CA ALA A 18 5.700 5.492 24.997 1.00 0.00 C ATOM 256 C ALA A 18 5.753 6.427 23.796 1.00 0.00 C ATOM 257 O ALA A 18 5.141 6.152 22.761 1.00 0.00 O ATOM 258 CB ALA A 18 7.076 4.900 25.271 1.00 0.00 C ATOM 0 H ALA A 18 4.641 4.141 23.800 1.00 0.00 H new ATOM 0 HA ALA A 18 5.389 6.069 25.868 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.792 5.705 25.436 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.030 4.268 26.158 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.392 4.303 24.416 1.00 0.00 H new ATOM 264 N LEU A 19 6.467 7.535 23.946 1.00 0.00 N ATOM 265 CA LEU A 19 6.663 8.479 22.852 1.00 0.00 C ATOM 266 C LEU A 19 7.905 8.094 22.061 1.00 0.00 C ATOM 267 O LEU A 19 7.896 8.063 20.834 1.00 0.00 O ATOM 268 CB LEU A 19 6.810 9.916 23.376 1.00 0.00 C ATOM 269 CG LEU A 19 5.521 10.598 23.859 1.00 0.00 C ATOM 270 CD1 LEU A 19 4.974 9.933 25.112 1.00 0.00 C ATOM 271 CD2 LEU A 19 5.774 12.075 24.112 1.00 0.00 C ATOM 0 H LEU A 19 6.922 7.803 24.818 1.00 0.00 H new ATOM 0 HA LEU A 19 5.785 8.440 22.207 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.523 9.909 24.200 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.244 10.526 22.584 1.00 0.00 H new ATOM 0 HG LEU A 19 4.772 10.493 23.074 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.062 10.441 25.425 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.752 8.887 24.901 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.715 9.993 25.909 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.854 12.548 24.454 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.545 12.187 24.875 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.105 12.551 23.189 1.00 0.00 H new ATOM 283 N GLY A 20 8.975 7.805 22.783 1.00 0.00 N ATOM 284 CA GLY A 20 10.202 7.371 22.153 1.00 0.00 C ATOM 285 C GLY A 20 10.397 5.877 22.288 1.00 0.00 C ATOM 286 O GLY A 20 9.455 5.156 22.616 1.00 0.00 O ATOM 0 H GLY A 20 9.015 7.864 23.801 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.186 7.643 21.098 1.00 0.00 H new ATOM 0 HA3 GLY A 20 11.047 7.891 22.603 1.00 0.00 H new ATOM 290 N CYS A 21 11.612 5.407 22.039 1.00 0.00 N ATOM 291 CA CYS A 21 11.918 3.992 22.186 1.00 0.00 C ATOM 292 C CYS A 21 11.754 3.574 23.641 1.00 0.00 C ATOM 293 O CYS A 21 12.456 4.075 24.520 1.00 0.00 O ATOM 294 CB CYS A 21 13.338 3.695 21.707 1.00 0.00 C ATOM 295 SG CYS A 21 13.816 1.956 21.843 1.00 0.00 S ATOM 0 H CYS A 21 12.398 5.982 21.736 1.00 0.00 H new ATOM 0 HA CYS A 21 11.223 3.420 21.571 1.00 0.00 H new ATOM 0 HB2 CYS A 21 13.431 4.006 20.666 1.00 0.00 H new ATOM 0 HB3 CYS A 21 14.038 4.299 22.284 1.00 0.00 H new ATOM 0 HG CYS A 21 12.771 1.240 22.136 1.00 0.00 H new ATOM 301 N GLU A 22 10.840 2.638 23.875 1.00 0.00 N ATOM 302 CA GLU A 22 10.460 2.229 25.225 1.00 0.00 C ATOM 303 C GLU A 22 11.654 1.649 25.990 1.00 0.00 C ATOM 304 O GLU A 22 11.636 1.562 27.216 1.00 0.00 O ATOM 305 CB GLU A 22 9.324 1.208 25.140 1.00 0.00 C ATOM 306 CG GLU A 22 8.322 1.298 26.279 1.00 0.00 C ATOM 307 CD GLU A 22 7.098 0.437 26.039 1.00 0.00 C ATOM 308 OE1 GLU A 22 6.716 0.253 24.861 1.00 0.00 O ATOM 309 OE2 GLU A 22 6.504 -0.054 27.028 1.00 0.00 O ATOM 0 H GLU A 22 10.342 2.142 23.136 1.00 0.00 H new ATOM 0 HA GLU A 22 10.120 3.106 25.775 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.797 1.344 24.195 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.751 0.205 25.125 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.803 0.991 27.208 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.014 2.336 26.407 1.00 0.00 H new ATOM 316 N GLU A 23 12.689 1.254 25.259 1.00 0.00 N ATOM 317 CA GLU A 23 13.913 0.766 25.876 1.00 0.00 C ATOM 318 C GLU A 23 14.898 1.913 26.091 1.00 0.00 C ATOM 319 O GLU A 23 15.333 2.166 27.207 1.00 0.00 O ATOM 320 CB GLU A 23 14.561 -0.314 25.009 1.00 0.00 C ATOM 321 CG GLU A 23 15.880 -0.827 25.565 1.00 0.00 C ATOM 322 CD GLU A 23 16.547 -1.828 24.649 1.00 0.00 C ATOM 323 OE1 GLU A 23 16.812 -1.480 23.479 1.00 0.00 O ATOM 324 OE2 GLU A 23 16.804 -2.966 25.089 1.00 0.00 O ATOM 0 H GLU A 23 12.704 1.263 24.239 1.00 0.00 H new ATOM 0 HA GLU A 23 13.654 0.334 26.843 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.869 -1.150 24.906 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.728 0.086 24.009 1.00 0.00 H new ATOM 0 HG2 GLU A 23 16.553 0.015 25.729 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.705 -1.289 26.537 1.00 0.00 H new ATOM 331 N CYS A 24 15.221 2.614 25.011 1.00 0.00 N ATOM 332 CA CYS A 24 16.240 3.663 25.033 1.00 0.00 C ATOM 333 C CYS A 24 15.929 4.766 26.051 1.00 0.00 C ATOM 334 O CYS A 24 16.843 5.388 26.594 1.00 0.00 O ATOM 335 CB CYS A 24 16.393 4.265 23.636 1.00 0.00 C ATOM 336 SG CYS A 24 16.842 3.057 22.364 1.00 0.00 S ATOM 0 H CYS A 24 14.788 2.474 24.098 1.00 0.00 H new ATOM 0 HA CYS A 24 17.176 3.199 25.343 1.00 0.00 H new ATOM 0 HB2 CYS A 24 15.456 4.745 23.353 1.00 0.00 H new ATOM 0 HB3 CYS A 24 17.154 5.045 23.668 1.00 0.00 H new ATOM 0 HG CYS A 24 15.763 2.576 21.822 1.00 0.00 H new ATOM 342 N LEU A 25 14.644 4.996 26.313 1.00 0.00 N ATOM 343 CA LEU A 25 14.215 6.063 27.221 1.00 0.00 C ATOM 344 C LEU A 25 14.761 5.885 28.641 1.00 0.00 C ATOM 345 O LEU A 25 14.897 6.862 29.377 1.00 0.00 O ATOM 346 CB LEU A 25 12.687 6.139 27.269 1.00 0.00 C ATOM 347 CG LEU A 25 12.019 6.680 26.003 1.00 0.00 C ATOM 348 CD1 LEU A 25 10.507 6.588 26.122 1.00 0.00 C ATOM 349 CD2 LEU A 25 12.447 8.119 25.749 1.00 0.00 C ATOM 0 H LEU A 25 13.878 4.457 25.909 1.00 0.00 H new ATOM 0 HA LEU A 25 14.623 6.993 26.825 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.296 5.141 27.468 1.00 0.00 H new ATOM 0 HB3 LEU A 25 12.397 6.769 28.110 1.00 0.00 H new ATOM 0 HG LEU A 25 12.337 6.072 25.156 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.046 6.977 25.214 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.216 5.547 26.260 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.173 7.175 26.978 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.963 8.488 24.845 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.156 8.740 26.596 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.529 8.160 25.624 1.00 0.00 H new ATOM 361 N LYS A 26 15.086 4.653 29.023 1.00 0.00 N ATOM 362 CA LYS A 26 15.552 4.382 30.383 1.00 0.00 C ATOM 363 C LYS A 26 16.951 4.957 30.616 1.00 0.00 C ATOM 364 O LYS A 26 17.299 5.325 31.739 1.00 0.00 O ATOM 365 CB LYS A 26 15.545 2.875 30.673 1.00 0.00 C ATOM 366 CG LYS A 26 16.550 2.087 29.851 1.00 0.00 C ATOM 367 CD LYS A 26 16.428 0.589 30.082 1.00 0.00 C ATOM 368 CE LYS A 26 16.822 0.200 31.498 1.00 0.00 C ATOM 369 NZ LYS A 26 16.842 -1.276 31.678 1.00 0.00 N ATOM 0 H LYS A 26 15.037 3.833 28.418 1.00 0.00 H new ATOM 0 HA LYS A 26 14.862 4.873 31.070 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.752 2.717 31.731 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.546 2.483 30.482 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.402 2.304 28.793 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.559 2.412 30.105 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.402 0.275 29.891 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.061 0.059 29.370 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.807 0.608 31.727 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.121 0.643 32.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.115 -1.503 32.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.896 -1.662 31.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.529 -1.697 31.020 1.00 0.00 H new ATOM 383 N ILE A 27 17.754 5.037 29.559 1.00 0.00 N ATOM 384 CA ILE A 27 19.111 5.565 29.678 1.00 0.00 C ATOM 385 C ILE A 27 19.263 6.881 28.923 1.00 0.00 C ATOM 386 O ILE A 27 20.275 7.569 29.055 1.00 0.00 O ATOM 387 CB ILE A 27 20.172 4.561 29.169 1.00 0.00 C ATOM 388 CG1 ILE A 27 19.889 4.157 27.718 1.00 0.00 C ATOM 389 CG2 ILE A 27 20.224 3.338 30.073 1.00 0.00 C ATOM 390 CD1 ILE A 27 20.886 3.165 27.152 1.00 0.00 C ATOM 0 H ILE A 27 17.492 4.746 28.617 1.00 0.00 H new ATOM 0 HA ILE A 27 19.279 5.738 30.741 1.00 0.00 H new ATOM 0 HB ILE A 27 21.147 5.048 29.197 1.00 0.00 H new ATOM 0 HG12 ILE A 27 18.889 3.726 27.659 1.00 0.00 H new ATOM 0 HG13 ILE A 27 19.888 5.052 27.095 1.00 0.00 H new ATOM 0 HG21 ILE A 27 20.976 2.642 29.701 1.00 0.00 H new ATOM 0 HG22 ILE A 27 20.484 3.645 31.086 1.00 0.00 H new ATOM 0 HG23 ILE A 27 19.250 2.850 30.081 1.00 0.00 H new ATOM 0 HD11 ILE A 27 20.619 2.928 26.122 1.00 0.00 H new ATOM 0 HD12 ILE A 27 21.885 3.599 27.177 1.00 0.00 H new ATOM 0 HD13 ILE A 27 20.871 2.253 27.749 1.00 0.00 H new ATOM 402 N GLY A 28 18.252 7.224 28.138 1.00 0.00 N ATOM 403 CA GLY A 28 18.292 8.450 27.366 1.00 0.00 C ATOM 404 C GLY A 28 19.242 8.356 26.190 1.00 0.00 C ATOM 405 O GLY A 28 19.957 9.310 25.879 1.00 0.00 O ATOM 0 H GLY A 28 17.401 6.673 28.021 1.00 0.00 H new ATOM 0 HA2 GLY A 28 17.290 8.682 27.004 1.00 0.00 H new ATOM 0 HA3 GLY A 28 18.596 9.274 28.012 1.00 0.00 H new ATOM 409 N SER A 29 19.258 7.202 25.538 1.00 0.00 N ATOM 410 CA SER A 29 20.134 6.986 24.398 1.00 0.00 C ATOM 411 C SER A 29 19.451 7.421 23.103 1.00 0.00 C ATOM 412 O SER A 29 18.230 7.311 22.970 1.00 0.00 O ATOM 413 CB SER A 29 20.549 5.512 24.330 1.00 0.00 C ATOM 414 OG SER A 29 19.421 4.656 24.274 1.00 0.00 O ATOM 0 H SER A 29 18.674 6.402 25.780 1.00 0.00 H new ATOM 0 HA SER A 29 21.030 7.594 24.522 1.00 0.00 H new ATOM 0 HB2 SER A 29 21.174 5.349 23.452 1.00 0.00 H new ATOM 0 HB3 SER A 29 21.153 5.263 25.202 1.00 0.00 H new ATOM 0 HG SER A 29 19.720 3.724 24.230 1.00 0.00 H new ATOM 420 N PRO A 30 20.228 7.948 22.143 1.00 0.00 N ATOM 421 CA PRO A 30 19.699 8.398 20.852 1.00 0.00 C ATOM 422 C PRO A 30 19.201 7.244 19.983 1.00 0.00 C ATOM 423 O PRO A 30 19.584 6.088 20.178 1.00 0.00 O ATOM 424 CB PRO A 30 20.899 9.083 20.191 1.00 0.00 C ATOM 425 CG PRO A 30 22.092 8.465 20.833 1.00 0.00 C ATOM 426 CD PRO A 30 21.684 8.161 22.246 1.00 0.00 C ATOM 0 HA PRO A 30 18.833 9.048 20.978 1.00 0.00 H new ATOM 0 HB2 PRO A 30 20.902 8.922 19.113 1.00 0.00 H new ATOM 0 HB3 PRO A 30 20.877 10.161 20.352 1.00 0.00 H new ATOM 0 HG2 PRO A 30 22.392 7.558 20.309 1.00 0.00 H new ATOM 0 HG3 PRO A 30 22.945 9.144 20.809 1.00 0.00 H new ATOM 0 HD2 PRO A 30 22.193 7.277 22.630 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.923 8.984 22.919 1.00 0.00 H new ATOM 434 N TRP A 31 18.342 7.568 19.030 1.00 0.00 N ATOM 435 CA TRP A 31 17.821 6.586 18.094 1.00 0.00 C ATOM 436 C TRP A 31 17.660 7.212 16.718 1.00 0.00 C ATOM 437 O TRP A 31 17.626 8.438 16.586 1.00 0.00 O ATOM 438 CB TRP A 31 16.481 6.016 18.583 1.00 0.00 C ATOM 439 CG TRP A 31 15.461 7.062 18.932 1.00 0.00 C ATOM 440 CD1 TRP A 31 14.751 7.848 18.067 1.00 0.00 C ATOM 441 CD2 TRP A 31 15.026 7.421 20.248 1.00 0.00 C ATOM 442 NE1 TRP A 31 13.914 8.680 18.768 1.00 0.00 N ATOM 443 CE2 TRP A 31 14.062 8.436 20.107 1.00 0.00 C ATOM 444 CE3 TRP A 31 15.361 6.986 21.533 1.00 0.00 C ATOM 445 CZ2 TRP A 31 13.429 9.019 21.200 1.00 0.00 C ATOM 446 CZ3 TRP A 31 14.732 7.565 22.618 1.00 0.00 C ATOM 447 CH2 TRP A 31 13.776 8.572 22.445 1.00 0.00 C ATOM 0 H TRP A 31 17.988 8.513 18.884 1.00 0.00 H new ATOM 0 HA TRP A 31 18.533 5.763 18.028 1.00 0.00 H new ATOM 0 HB2 TRP A 31 16.070 5.367 17.809 1.00 0.00 H new ATOM 0 HB3 TRP A 31 16.661 5.393 19.459 1.00 0.00 H new ATOM 0 HD1 TRP A 31 14.836 7.818 16.991 1.00 0.00 H new ATOM 0 HE1 TRP A 31 13.284 9.369 18.358 1.00 0.00 H new ATOM 0 HE3 TRP A 31 16.099 6.210 21.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 12.690 9.796 21.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 14.982 7.235 23.616 1.00 0.00 H new ATOM 0 HH2 TRP A 31 13.302 9.006 23.313 1.00 0.00 H new ATOM 458 N VAL A 32 17.572 6.373 15.699 1.00 0.00 N ATOM 459 CA VAL A 32 17.408 6.851 14.335 1.00 0.00 C ATOM 460 C VAL A 32 15.936 6.858 13.944 1.00 0.00 C ATOM 461 O VAL A 32 15.421 7.857 13.448 1.00 0.00 O ATOM 462 CB VAL A 32 18.201 5.985 13.335 1.00 0.00 C ATOM 463 CG1 VAL A 32 18.093 6.550 11.926 1.00 0.00 C ATOM 464 CG2 VAL A 32 19.657 5.881 13.759 1.00 0.00 C ATOM 0 H VAL A 32 17.611 5.358 15.790 1.00 0.00 H new ATOM 0 HA VAL A 32 17.798 7.868 14.298 1.00 0.00 H new ATOM 0 HB VAL A 32 17.769 4.984 13.333 1.00 0.00 H new ATOM 0 HG11 VAL A 32 18.660 5.923 11.238 1.00 0.00 H new ATOM 0 HG12 VAL A 32 17.047 6.569 11.621 1.00 0.00 H new ATOM 0 HG13 VAL A 32 18.495 7.563 11.908 1.00 0.00 H new ATOM 0 HG21 VAL A 32 20.202 5.266 13.042 1.00 0.00 H new ATOM 0 HG22 VAL A 32 20.098 6.877 13.792 1.00 0.00 H new ATOM 0 HG23 VAL A 32 19.717 5.425 14.747 1.00 0.00 H new ATOM 474 N HIS A 33 15.260 5.740 14.175 1.00 0.00 N ATOM 475 CA HIS A 33 13.844 5.624 13.848 1.00 0.00 C ATOM 476 C HIS A 33 13.107 4.836 14.922 1.00 0.00 C ATOM 477 O HIS A 33 13.714 4.049 15.655 1.00 0.00 O ATOM 478 CB HIS A 33 13.640 4.960 12.480 1.00 0.00 C ATOM 479 CG HIS A 33 13.936 5.853 11.313 1.00 0.00 C ATOM 480 ND1 HIS A 33 13.172 6.953 10.993 1.00 0.00 N ATOM 481 CD2 HIS A 33 14.915 5.797 10.382 1.00 0.00 C ATOM 482 CE1 HIS A 33 13.665 7.530 9.917 1.00 0.00 C ATOM 483 NE2 HIS A 33 14.725 6.849 9.523 1.00 0.00 N ATOM 0 H HIS A 33 15.668 4.901 14.587 1.00 0.00 H new ATOM 0 HA HIS A 33 13.434 6.633 13.804 1.00 0.00 H new ATOM 0 HB2 HIS A 33 14.277 4.078 12.418 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.609 4.615 12.406 1.00 0.00 H new ATOM 0 HD1 HIS A 33 12.352 7.271 11.509 1.00 0.00 H new ATOM 0 HD2 HIS A 33 15.702 5.059 10.325 1.00 0.00 H new ATOM 0 HE1 HIS A 33 13.269 8.413 9.437 1.00 0.00 H new ATOM 492 N LEU A 34 11.799 5.039 14.992 1.00 0.00 N ATOM 493 CA LEU A 34 10.961 4.414 16.005 1.00 0.00 C ATOM 494 C LEU A 34 9.789 3.708 15.354 1.00 0.00 C ATOM 495 O LEU A 34 9.162 4.240 14.435 1.00 0.00 O ATOM 496 CB LEU A 34 10.427 5.457 16.988 1.00 0.00 C ATOM 497 CG LEU A 34 11.484 6.206 17.789 1.00 0.00 C ATOM 498 CD1 LEU A 34 10.826 7.233 18.693 1.00 0.00 C ATOM 499 CD2 LEU A 34 12.319 5.231 18.601 1.00 0.00 C ATOM 0 H LEU A 34 11.289 5.642 14.347 1.00 0.00 H new ATOM 0 HA LEU A 34 11.573 3.692 16.545 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.834 6.184 16.433 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.752 4.961 17.685 1.00 0.00 H new ATOM 0 HG LEU A 34 12.145 6.729 17.098 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.592 7.762 19.260 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.266 7.946 18.087 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.147 6.730 19.381 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.070 5.780 19.168 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.674 4.684 19.288 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.813 4.528 17.930 1.00 0.00 H new ATOM 511 N ARG A 35 9.487 2.516 15.828 1.00 0.00 N ATOM 512 CA ARG A 35 8.390 1.746 15.282 1.00 0.00 C ATOM 513 C ARG A 35 7.560 1.137 16.402 1.00 0.00 C ATOM 514 O ARG A 35 8.097 0.549 17.344 1.00 0.00 O ATOM 515 CB ARG A 35 8.921 0.661 14.343 1.00 0.00 C ATOM 516 CG ARG A 35 9.687 1.228 13.158 1.00 0.00 C ATOM 517 CD ARG A 35 10.256 0.137 12.273 1.00 0.00 C ATOM 518 NE ARG A 35 11.066 0.681 11.187 1.00 0.00 N ATOM 519 CZ ARG A 35 11.703 -0.068 10.286 1.00 0.00 C ATOM 520 NH1 ARG A 35 11.607 -1.392 10.327 1.00 0.00 N ATOM 521 NH2 ARG A 35 12.439 0.507 9.349 1.00 0.00 N ATOM 0 H ARG A 35 9.987 2.060 16.591 1.00 0.00 H new ATOM 0 HA ARG A 35 7.746 2.411 14.707 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.572 -0.010 14.903 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.086 0.063 13.977 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.025 1.863 12.569 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.498 1.861 13.520 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.864 -0.538 12.875 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.440 -0.454 11.856 1.00 0.00 H new ATOM 0 HE ARG A 35 11.150 1.695 11.113 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.044 -1.840 11.050 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.096 -1.960 9.636 1.00 0.00 H new ATOM 0 HH21 ARG A 35 12.519 1.523 9.316 1.00 0.00 H new ATOM 0 HH22 ARG A 35 12.926 -0.066 8.660 1.00 0.00 H new ATOM 535 N ILE A 36 6.253 1.289 16.295 1.00 0.00 N ATOM 536 CA ILE A 36 5.341 0.780 17.301 1.00 0.00 C ATOM 537 C ILE A 36 4.806 -0.574 16.873 1.00 0.00 C ATOM 538 O ILE A 36 4.389 -0.775 15.735 1.00 0.00 O ATOM 539 CB ILE A 36 4.174 1.760 17.574 1.00 0.00 C ATOM 540 CG1 ILE A 36 3.263 1.204 18.673 1.00 0.00 C ATOM 541 CG2 ILE A 36 3.379 2.038 16.302 1.00 0.00 C ATOM 542 CD1 ILE A 36 2.164 2.154 19.089 1.00 0.00 C ATOM 0 H ILE A 36 5.797 1.764 15.516 1.00 0.00 H new ATOM 0 HA ILE A 36 5.897 0.673 18.232 1.00 0.00 H new ATOM 0 HB ILE A 36 4.595 2.706 17.914 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.814 0.274 18.325 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.869 0.959 19.545 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.566 2.729 16.525 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.035 2.479 15.552 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.967 1.104 15.919 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.560 1.692 19.870 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.604 3.076 19.469 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.534 2.380 18.229 1.00 0.00 H new ATOM 554 N CYS A 37 4.867 -1.510 17.786 1.00 0.00 N ATOM 555 CA CYS A 37 4.431 -2.864 17.529 1.00 0.00 C ATOM 556 C CYS A 37 2.907 -2.945 17.516 1.00 0.00 C ATOM 557 O CYS A 37 2.264 -2.785 18.555 1.00 0.00 O ATOM 558 CB CYS A 37 5.018 -3.757 18.606 1.00 0.00 C ATOM 559 SG CYS A 37 4.567 -5.506 18.504 1.00 0.00 S ATOM 0 H CYS A 37 5.220 -1.357 18.731 1.00 0.00 H new ATOM 0 HA CYS A 37 4.777 -3.193 16.549 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.104 -3.678 18.566 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.706 -3.376 19.578 1.00 0.00 H new ATOM 564 N ARG A 38 2.343 -3.225 16.340 1.00 0.00 N ATOM 565 CA ARG A 38 0.890 -3.208 16.129 1.00 0.00 C ATOM 566 C ARG A 38 0.174 -4.345 16.857 1.00 0.00 C ATOM 567 O ARG A 38 -1.027 -4.540 16.683 1.00 0.00 O ATOM 568 CB ARG A 38 0.575 -3.307 14.634 1.00 0.00 C ATOM 569 CG ARG A 38 0.916 -2.059 13.837 1.00 0.00 C ATOM 570 CD ARG A 38 0.044 -0.880 14.237 1.00 0.00 C ATOM 571 NE ARG A 38 -1.382 -1.191 14.147 1.00 0.00 N ATOM 572 CZ ARG A 38 -2.279 -0.391 13.573 1.00 0.00 C ATOM 573 NH1 ARG A 38 -1.905 0.756 13.029 1.00 0.00 N ATOM 574 NH2 ARG A 38 -3.558 -0.742 13.539 1.00 0.00 N ATOM 0 H ARG A 38 2.878 -3.470 15.507 1.00 0.00 H new ATOM 0 HA ARG A 38 0.528 -2.265 16.539 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.122 -4.152 14.215 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.487 -3.522 14.512 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.965 -1.805 13.991 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.789 -2.261 12.773 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.285 -0.582 15.257 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.270 -0.029 13.594 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.708 -2.071 14.547 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.924 1.033 13.047 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.598 1.363 12.591 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.856 -1.626 13.953 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.244 -0.128 13.099 1.00 0.00 H new ATOM 588 N THR A 39 0.901 -5.101 17.656 1.00 0.00 N ATOM 589 CA THR A 39 0.303 -6.216 18.360 1.00 0.00 C ATOM 590 C THR A 39 0.123 -5.913 19.845 1.00 0.00 C ATOM 591 O THR A 39 -0.883 -6.284 20.438 1.00 0.00 O ATOM 592 CB THR A 39 1.156 -7.485 18.196 1.00 0.00 C ATOM 593 OG1 THR A 39 1.696 -7.535 16.868 1.00 0.00 O ATOM 594 CG2 THR A 39 0.328 -8.732 18.452 1.00 0.00 C ATOM 0 H THR A 39 1.896 -4.965 17.832 1.00 0.00 H new ATOM 0 HA THR A 39 -0.680 -6.382 17.920 1.00 0.00 H new ATOM 0 HB THR A 39 1.966 -7.450 18.924 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.240 -8.343 16.766 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.954 -9.616 18.330 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.067 -8.705 19.468 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.499 -8.772 17.743 1.00 0.00 H new ATOM 602 N CYS A 40 1.080 -5.214 20.442 1.00 0.00 N ATOM 603 CA CYS A 40 1.051 -5.012 21.888 1.00 0.00 C ATOM 604 C CYS A 40 1.336 -3.556 22.266 1.00 0.00 C ATOM 605 O CYS A 40 1.452 -3.229 23.443 1.00 0.00 O ATOM 606 CB CYS A 40 2.053 -5.951 22.568 1.00 0.00 C ATOM 607 SG CYS A 40 3.797 -5.532 22.258 1.00 0.00 S ATOM 0 H CYS A 40 1.871 -4.785 19.961 1.00 0.00 H new ATOM 0 HA CYS A 40 0.046 -5.246 22.238 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.874 -5.939 23.643 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.869 -6.969 22.226 1.00 0.00 H new ATOM 612 N GLY A 41 1.464 -2.689 21.262 1.00 0.00 N ATOM 613 CA GLY A 41 1.621 -1.262 21.519 1.00 0.00 C ATOM 614 C GLY A 41 2.992 -0.879 22.052 1.00 0.00 C ATOM 615 O GLY A 41 3.194 0.251 22.495 1.00 0.00 O ATOM 0 H GLY A 41 1.462 -2.947 20.275 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.435 -0.714 20.595 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.862 -0.946 22.235 1.00 0.00 H new ATOM 619 N HIS A 42 3.942 -1.804 21.992 1.00 0.00 N ATOM 620 CA HIS A 42 5.274 -1.550 22.523 1.00 0.00 C ATOM 621 C HIS A 42 6.108 -0.822 21.478 1.00 0.00 C ATOM 622 O HIS A 42 6.163 -1.247 20.319 1.00 0.00 O ATOM 623 CB HIS A 42 5.942 -2.869 22.923 1.00 0.00 C ATOM 624 CG HIS A 42 7.167 -2.712 23.776 1.00 0.00 C ATOM 625 ND1 HIS A 42 7.160 -2.901 25.140 1.00 0.00 N ATOM 626 CD2 HIS A 42 8.447 -2.415 23.449 1.00 0.00 C ATOM 627 CE1 HIS A 42 8.379 -2.730 25.613 1.00 0.00 C ATOM 628 NE2 HIS A 42 9.178 -2.434 24.607 1.00 0.00 N ATOM 0 H HIS A 42 3.816 -2.730 21.584 1.00 0.00 H new ATOM 0 HA HIS A 42 5.196 -0.923 23.411 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.217 -3.481 23.460 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.212 -3.414 22.018 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.822 -2.203 22.459 1.00 0.00 H new ATOM 0 HE1 HIS A 42 8.673 -2.818 26.649 1.00 0.00 H new ATOM 0 HE2 HIS A 42 10.178 -2.249 24.679 1.00 0.00 H new ATOM 637 N VAL A 43 6.740 0.269 21.880 1.00 0.00 N ATOM 638 CA VAL A 43 7.514 1.086 20.954 1.00 0.00 C ATOM 639 C VAL A 43 8.986 0.689 20.986 1.00 0.00 C ATOM 640 O VAL A 43 9.605 0.633 22.049 1.00 0.00 O ATOM 641 CB VAL A 43 7.383 2.592 21.274 1.00 0.00 C ATOM 642 CG1 VAL A 43 8.080 3.431 20.211 1.00 0.00 C ATOM 643 CG2 VAL A 43 5.919 2.991 21.401 1.00 0.00 C ATOM 0 H VAL A 43 6.733 0.611 22.841 1.00 0.00 H new ATOM 0 HA VAL A 43 7.111 0.909 19.957 1.00 0.00 H new ATOM 0 HB VAL A 43 7.871 2.780 22.230 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.976 4.488 20.456 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.138 3.169 20.176 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.626 3.237 19.239 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.850 4.055 21.626 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.403 2.785 20.463 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.454 2.419 22.204 1.00 0.00 H new ATOM 653 N GLY A 44 9.540 0.402 19.819 1.00 0.00 N ATOM 654 CA GLY A 44 10.929 0.011 19.739 1.00 0.00 C ATOM 655 C GLY A 44 11.672 0.776 18.666 1.00 0.00 C ATOM 656 O GLY A 44 11.061 1.293 17.732 1.00 0.00 O ATOM 0 H GLY A 44 9.051 0.433 18.925 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.409 0.180 20.703 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.994 -1.057 19.533 1.00 0.00 H new ATOM 660 N CYS A 45 12.985 0.861 18.803 1.00 0.00 N ATOM 661 CA CYS A 45 13.803 1.551 17.822 1.00 0.00 C ATOM 662 C CYS A 45 14.029 0.664 16.605 1.00 0.00 C ATOM 663 O CYS A 45 14.079 -0.563 16.721 1.00 0.00 O ATOM 664 CB CYS A 45 15.149 1.944 18.432 1.00 0.00 C ATOM 665 SG CYS A 45 16.174 0.532 18.903 1.00 0.00 S ATOM 0 H CYS A 45 13.506 0.461 19.583 1.00 0.00 H new ATOM 0 HA CYS A 45 13.278 2.454 17.511 1.00 0.00 H new ATOM 0 HB2 CYS A 45 15.697 2.557 17.716 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.972 2.563 19.312 1.00 0.00 H new ATOM 0 HG CYS A 45 16.419 0.580 20.179 1.00 0.00 H new ATOM 671 N CYS A 46 14.170 1.293 15.449 1.00 0.00 N ATOM 672 CA CYS A 46 14.411 0.583 14.201 1.00 0.00 C ATOM 673 C CYS A 46 15.705 -0.229 14.272 1.00 0.00 C ATOM 674 O CYS A 46 16.606 0.083 15.056 1.00 0.00 O ATOM 675 CB CYS A 46 14.479 1.592 13.048 1.00 0.00 C ATOM 676 SG CYS A 46 14.952 0.900 11.445 1.00 0.00 S ATOM 0 H CYS A 46 14.121 2.307 15.348 1.00 0.00 H new ATOM 0 HA CYS A 46 13.590 -0.113 14.029 1.00 0.00 H new ATOM 0 HB2 CYS A 46 13.504 2.069 12.946 1.00 0.00 H new ATOM 0 HB3 CYS A 46 15.191 2.374 13.312 1.00 0.00 H new ATOM 0 HG CYS A 46 14.972 1.846 10.553 1.00 0.00 H new ATOM 682 N ASP A 47 15.782 -1.267 13.445 1.00 0.00 N ATOM 683 CA ASP A 47 16.971 -2.110 13.346 1.00 0.00 C ATOM 684 C ASP A 47 18.166 -1.302 12.849 1.00 0.00 C ATOM 685 O ASP A 47 19.311 -1.710 13.014 1.00 0.00 O ATOM 686 CB ASP A 47 16.701 -3.281 12.399 1.00 0.00 C ATOM 687 CG ASP A 47 16.399 -2.825 10.985 1.00 0.00 C ATOM 688 OD1 ASP A 47 15.297 -2.280 10.758 1.00 0.00 O ATOM 689 OD2 ASP A 47 17.263 -3.010 10.100 1.00 0.00 O ATOM 0 H ASP A 47 15.023 -1.548 12.824 1.00 0.00 H new ATOM 0 HA ASP A 47 17.205 -2.496 14.338 1.00 0.00 H new ATOM 0 HB2 ASP A 47 17.568 -3.942 12.387 1.00 0.00 H new ATOM 0 HB3 ASP A 47 15.861 -3.864 12.777 1.00 0.00 H new ATOM 694 N ASP A 48 17.888 -0.155 12.235 1.00 0.00 N ATOM 695 CA ASP A 48 18.940 0.758 11.800 1.00 0.00 C ATOM 696 C ASP A 48 19.769 1.213 12.995 1.00 0.00 C ATOM 697 O ASP A 48 20.993 1.315 12.922 1.00 0.00 O ATOM 698 CB ASP A 48 18.337 1.974 11.094 1.00 0.00 C ATOM 699 CG ASP A 48 19.396 2.881 10.501 1.00 0.00 C ATOM 700 OD1 ASP A 48 19.876 3.788 11.208 1.00 0.00 O ATOM 701 OD2 ASP A 48 19.754 2.684 9.320 1.00 0.00 O ATOM 0 H ASP A 48 16.942 0.164 12.027 1.00 0.00 H new ATOM 0 HA ASP A 48 19.585 0.229 11.098 1.00 0.00 H new ATOM 0 HB2 ASP A 48 17.667 1.636 10.303 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.733 2.540 11.803 1.00 0.00 H new ATOM 706 N SER A 49 19.090 1.463 14.105 1.00 0.00 N ATOM 707 CA SER A 49 19.752 1.867 15.332 1.00 0.00 C ATOM 708 C SER A 49 20.444 0.661 15.967 1.00 0.00 C ATOM 709 O SER A 49 19.907 -0.445 15.936 1.00 0.00 O ATOM 710 CB SER A 49 18.726 2.478 16.286 1.00 0.00 C ATOM 711 OG SER A 49 18.001 3.514 15.638 1.00 0.00 O ATOM 0 H SER A 49 18.075 1.392 14.179 1.00 0.00 H new ATOM 0 HA SER A 49 20.511 2.618 15.113 1.00 0.00 H new ATOM 0 HB2 SER A 49 18.038 1.707 16.633 1.00 0.00 H new ATOM 0 HB3 SER A 49 19.231 2.875 17.167 1.00 0.00 H new ATOM 0 HG SER A 49 17.057 3.465 15.898 1.00 0.00 H new ATOM 717 N PRO A 50 21.640 0.868 16.555 1.00 0.00 N ATOM 718 CA PRO A 50 22.499 -0.213 17.080 1.00 0.00 C ATOM 719 C PRO A 50 21.770 -1.204 17.988 1.00 0.00 C ATOM 720 O PRO A 50 22.125 -2.381 18.041 1.00 0.00 O ATOM 721 CB PRO A 50 23.583 0.532 17.875 1.00 0.00 C ATOM 722 CG PRO A 50 23.122 1.950 17.961 1.00 0.00 C ATOM 723 CD PRO A 50 22.265 2.181 16.754 1.00 0.00 C ATOM 0 HA PRO A 50 22.880 -0.827 16.264 1.00 0.00 H new ATOM 0 HB2 PRO A 50 23.706 0.100 18.868 1.00 0.00 H new ATOM 0 HB3 PRO A 50 24.550 0.465 17.376 1.00 0.00 H new ATOM 0 HG2 PRO A 50 22.558 2.122 18.878 1.00 0.00 H new ATOM 0 HG3 PRO A 50 23.969 2.635 17.974 1.00 0.00 H new ATOM 0 HD2 PRO A 50 21.524 2.962 16.925 1.00 0.00 H new ATOM 0 HD3 PRO A 50 22.855 2.485 15.889 1.00 0.00 H new ATOM 731 N HIS A 51 20.752 -0.729 18.695 1.00 0.00 N ATOM 732 CA HIS A 51 19.979 -1.585 19.591 1.00 0.00 C ATOM 733 C HIS A 51 19.227 -2.667 18.816 1.00 0.00 C ATOM 734 O HIS A 51 19.207 -3.825 19.227 1.00 0.00 O ATOM 735 CB HIS A 51 18.988 -0.753 20.411 1.00 0.00 C ATOM 736 CG HIS A 51 19.581 -0.116 21.634 1.00 0.00 C ATOM 737 ND1 HIS A 51 18.948 -0.115 22.856 1.00 0.00 N ATOM 738 CD2 HIS A 51 20.743 0.553 21.817 1.00 0.00 C ATOM 739 CE1 HIS A 51 19.691 0.527 23.737 1.00 0.00 C ATOM 740 NE2 HIS A 51 20.790 0.942 23.134 1.00 0.00 N ATOM 0 H HIS A 51 20.442 0.242 18.667 1.00 0.00 H new ATOM 0 HA HIS A 51 20.683 -2.071 20.267 1.00 0.00 H new ATOM 0 HB2 HIS A 51 18.573 0.028 19.774 1.00 0.00 H new ATOM 0 HB3 HIS A 51 18.159 -1.392 20.714 1.00 0.00 H new ATOM 0 HD1 HIS A 51 18.044 -0.545 23.051 1.00 0.00 H new ATOM 0 HD2 HIS A 51 21.495 0.746 21.066 1.00 0.00 H new ATOM 0 HE1 HIS A 51 19.442 0.686 24.776 1.00 0.00 H new ATOM 749 N LYS A 52 18.634 -2.278 17.683 1.00 0.00 N ATOM 750 CA LYS A 52 17.797 -3.179 16.878 1.00 0.00 C ATOM 751 C LYS A 52 16.732 -3.852 17.739 1.00 0.00 C ATOM 752 O LYS A 52 16.390 -5.012 17.524 1.00 0.00 O ATOM 753 CB LYS A 52 18.639 -4.262 16.199 1.00 0.00 C ATOM 754 CG LYS A 52 19.766 -3.733 15.334 1.00 0.00 C ATOM 755 CD LYS A 52 20.402 -4.857 14.539 1.00 0.00 C ATOM 756 CE LYS A 52 21.619 -4.387 13.762 1.00 0.00 C ATOM 757 NZ LYS A 52 21.254 -3.499 12.629 1.00 0.00 N ATOM 0 H LYS A 52 18.718 -1.337 17.298 1.00 0.00 H new ATOM 0 HA LYS A 52 17.316 -2.567 16.115 1.00 0.00 H new ATOM 0 HB2 LYS A 52 19.061 -4.911 16.967 1.00 0.00 H new ATOM 0 HB3 LYS A 52 17.985 -4.880 15.584 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.383 -2.971 14.655 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.518 -3.253 15.960 1.00 0.00 H new ATOM 0 HD2 LYS A 52 20.692 -5.661 15.216 1.00 0.00 H new ATOM 0 HD3 LYS A 52 19.669 -5.272 13.848 1.00 0.00 H new ATOM 0 HE2 LYS A 52 22.294 -3.857 14.434 1.00 0.00 H new ATOM 0 HE3 LYS A 52 22.162 -5.253 13.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 22.116 -3.203 12.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 20.631 -4.012 11.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 20.759 -2.659 12.992 1.00 0.00 H new ATOM 771 N HIS A 53 16.187 -3.123 18.700 1.00 0.00 N ATOM 772 CA HIS A 53 15.292 -3.733 19.671 1.00 0.00 C ATOM 773 C HIS A 53 13.961 -4.128 19.037 1.00 0.00 C ATOM 774 O HIS A 53 13.215 -4.920 19.607 1.00 0.00 O ATOM 775 CB HIS A 53 15.057 -2.810 20.865 1.00 0.00 C ATOM 776 CG HIS A 53 14.687 -3.566 22.105 1.00 0.00 C ATOM 777 ND1 HIS A 53 13.598 -3.262 22.890 1.00 0.00 N ATOM 778 CD2 HIS A 53 15.285 -4.629 22.692 1.00 0.00 C ATOM 779 CE1 HIS A 53 13.545 -4.108 23.904 1.00 0.00 C ATOM 780 NE2 HIS A 53 14.555 -4.946 23.807 1.00 0.00 N ATOM 0 H HIS A 53 16.345 -2.124 18.828 1.00 0.00 H new ATOM 0 HA HIS A 53 15.779 -4.640 20.028 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.958 -2.227 21.053 1.00 0.00 H new ATOM 0 HB3 HIS A 53 14.264 -2.102 20.624 1.00 0.00 H new ATOM 0 HD2 HIS A 53 16.174 -5.134 22.345 1.00 0.00 H new ATOM 0 HE1 HIS A 53 12.797 -4.111 24.683 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.760 -5.706 24.455 1.00 0.00 H new ATOM 789 N ALA A 54 13.666 -3.578 17.864 1.00 0.00 N ATOM 790 CA ALA A 54 12.445 -3.928 17.148 1.00 0.00 C ATOM 791 C ALA A 54 12.494 -5.377 16.666 1.00 0.00 C ATOM 792 O ALA A 54 11.554 -6.146 16.887 1.00 0.00 O ATOM 793 CB ALA A 54 12.230 -2.985 15.972 1.00 0.00 C ATOM 0 H ALA A 54 14.253 -2.891 17.391 1.00 0.00 H new ATOM 0 HA ALA A 54 11.606 -3.825 17.836 1.00 0.00 H new ATOM 0 HB1 ALA A 54 11.315 -3.260 15.448 1.00 0.00 H new ATOM 0 HB2 ALA A 54 12.146 -1.961 16.337 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.075 -3.058 15.288 1.00 0.00 H new ATOM 799 N THR A 55 13.606 -5.754 16.045 1.00 0.00 N ATOM 800 CA THR A 55 13.778 -7.107 15.534 1.00 0.00 C ATOM 801 C THR A 55 13.902 -8.097 16.684 1.00 0.00 C ATOM 802 O THR A 55 13.352 -9.200 16.639 1.00 0.00 O ATOM 803 CB THR A 55 15.021 -7.201 14.629 1.00 0.00 C ATOM 804 OG1 THR A 55 16.122 -6.526 15.246 1.00 0.00 O ATOM 805 CG2 THR A 55 14.752 -6.586 13.266 1.00 0.00 C ATOM 0 H THR A 55 14.403 -5.139 15.883 1.00 0.00 H new ATOM 0 HA THR A 55 12.898 -7.356 14.941 1.00 0.00 H new ATOM 0 HB THR A 55 15.262 -8.255 14.492 1.00 0.00 H new ATOM 0 HG1 THR A 55 15.849 -6.192 16.126 1.00 0.00 H new ATOM 0 HG21 THR A 55 15.646 -6.666 12.648 1.00 0.00 H new ATOM 0 HG22 THR A 55 13.929 -7.114 12.784 1.00 0.00 H new ATOM 0 HG23 THR A 55 14.487 -5.536 13.387 1.00 0.00 H new ATOM 813 N ARG A 56 14.616 -7.678 17.721 1.00 0.00 N ATOM 814 CA ARG A 56 14.766 -8.474 18.930 1.00 0.00 C ATOM 815 C ARG A 56 13.410 -8.732 19.574 1.00 0.00 C ATOM 816 O ARG A 56 13.110 -9.851 19.988 1.00 0.00 O ATOM 817 CB ARG A 56 15.680 -7.753 19.916 1.00 0.00 C ATOM 818 CG ARG A 56 17.097 -7.574 19.405 1.00 0.00 C ATOM 819 CD ARG A 56 17.919 -6.707 20.340 1.00 0.00 C ATOM 820 NE ARG A 56 17.914 -7.214 21.709 1.00 0.00 N ATOM 821 CZ ARG A 56 18.961 -7.155 22.525 1.00 0.00 C ATOM 822 NH1 ARG A 56 20.119 -6.670 22.095 1.00 0.00 N ATOM 823 NH2 ARG A 56 18.854 -7.597 23.770 1.00 0.00 N ATOM 0 H ARG A 56 15.104 -6.783 17.747 1.00 0.00 H new ATOM 0 HA ARG A 56 15.210 -9.432 18.661 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.257 -6.774 20.143 1.00 0.00 H new ATOM 0 HB3 ARG A 56 15.707 -8.313 20.851 1.00 0.00 H new ATOM 0 HG2 ARG A 56 17.573 -8.549 19.299 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.073 -7.121 18.414 1.00 0.00 H new ATOM 0 HD2 ARG A 56 18.946 -6.656 19.977 1.00 0.00 H new ATOM 0 HD3 ARG A 56 17.526 -5.690 20.329 1.00 0.00 H new ATOM 0 HE ARG A 56 17.056 -7.639 22.060 1.00 0.00 H new ATOM 0 HH11 ARG A 56 20.208 -6.340 21.134 1.00 0.00 H new ATOM 0 HH12 ARG A 56 20.920 -6.627 22.726 1.00 0.00 H new ATOM 0 HH21 ARG A 56 17.969 -7.982 24.100 1.00 0.00 H new ATOM 0 HH22 ARG A 56 19.657 -7.552 24.398 1.00 0.00 H new ATOM 837 N HIS A 57 12.587 -7.689 19.633 1.00 0.00 N ATOM 838 CA HIS A 57 11.252 -7.791 20.207 1.00 0.00 C ATOM 839 C HIS A 57 10.416 -8.821 19.452 1.00 0.00 C ATOM 840 O HIS A 57 9.626 -9.552 20.053 1.00 0.00 O ATOM 841 CB HIS A 57 10.558 -6.423 20.184 1.00 0.00 C ATOM 842 CG HIS A 57 9.153 -6.449 20.699 1.00 0.00 C ATOM 843 ND1 HIS A 57 8.816 -6.276 22.023 1.00 0.00 N ATOM 844 CD2 HIS A 57 7.985 -6.651 20.037 1.00 0.00 C ATOM 845 CE1 HIS A 57 7.486 -6.382 22.124 1.00 0.00 C ATOM 846 NE2 HIS A 57 6.936 -6.608 20.945 1.00 0.00 N ATOM 0 H HIS A 57 12.825 -6.759 19.288 1.00 0.00 H new ATOM 0 HA HIS A 57 11.348 -8.120 21.242 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.141 -5.721 20.780 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.553 -6.046 19.161 1.00 0.00 H new ATOM 0 HD1 HIS A 57 9.465 -6.099 22.790 1.00 0.00 H new ATOM 0 HD2 HIS A 57 7.888 -6.818 18.974 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.935 -6.294 23.049 1.00 0.00 H new ATOM 854 N PHE A 58 10.592 -8.872 18.137 1.00 0.00 N ATOM 855 CA PHE A 58 9.878 -9.832 17.307 1.00 0.00 C ATOM 856 C PHE A 58 10.177 -11.259 17.748 1.00 0.00 C ATOM 857 O PHE A 58 9.268 -12.061 17.917 1.00 0.00 O ATOM 858 CB PHE A 58 10.240 -9.643 15.831 1.00 0.00 C ATOM 859 CG PHE A 58 9.798 -10.777 14.945 1.00 0.00 C ATOM 860 CD1 PHE A 58 8.488 -11.224 14.956 1.00 0.00 C ATOM 861 CD2 PHE A 58 10.700 -11.395 14.103 1.00 0.00 C ATOM 862 CE1 PHE A 58 8.089 -12.268 14.144 1.00 0.00 C ATOM 863 CE2 PHE A 58 10.309 -12.437 13.287 1.00 0.00 C ATOM 864 CZ PHE A 58 9.001 -12.874 13.308 1.00 0.00 C ATOM 0 H PHE A 58 11.224 -8.258 17.623 1.00 0.00 H new ATOM 0 HA PHE A 58 8.809 -9.654 17.428 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.790 -8.718 15.472 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.320 -9.526 15.744 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.769 -10.751 15.608 1.00 0.00 H new ATOM 0 HD2 PHE A 58 11.726 -11.059 14.082 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.064 -12.608 14.165 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.026 -12.910 12.633 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.692 -13.689 12.671 1.00 0.00 H new ATOM 874 N HIS A 59 11.447 -11.565 17.956 1.00 0.00 N ATOM 875 CA HIS A 59 11.839 -12.910 18.359 1.00 0.00 C ATOM 876 C HIS A 59 11.420 -13.186 19.801 1.00 0.00 C ATOM 877 O HIS A 59 11.098 -14.318 20.159 1.00 0.00 O ATOM 878 CB HIS A 59 13.350 -13.111 18.193 1.00 0.00 C ATOM 879 CG HIS A 59 13.802 -13.146 16.761 1.00 0.00 C ATOM 880 ND1 HIS A 59 14.248 -14.291 16.138 1.00 0.00 N ATOM 881 CD2 HIS A 59 13.875 -12.165 15.830 1.00 0.00 C ATOM 882 CE1 HIS A 59 14.576 -14.014 14.890 1.00 0.00 C ATOM 883 NE2 HIS A 59 14.357 -12.731 14.677 1.00 0.00 N ATOM 0 H HIS A 59 12.220 -10.908 17.854 1.00 0.00 H new ATOM 0 HA HIS A 59 11.326 -13.619 17.709 1.00 0.00 H new ATOM 0 HB2 HIS A 59 13.873 -12.307 18.710 1.00 0.00 H new ATOM 0 HB3 HIS A 59 13.639 -14.043 18.679 1.00 0.00 H new ATOM 0 HD2 HIS A 59 13.604 -11.129 15.969 1.00 0.00 H new ATOM 0 HE1 HIS A 59 14.959 -14.718 14.166 1.00 0.00 H new ATOM 0 HE2 HIS A 59 14.520 -12.240 13.798 1.00 0.00 H new ATOM 892 N ALA A 60 11.399 -12.136 20.613 1.00 0.00 N ATOM 893 CA ALA A 60 11.071 -12.261 22.028 1.00 0.00 C ATOM 894 C ALA A 60 9.575 -12.487 22.260 1.00 0.00 C ATOM 895 O ALA A 60 9.187 -13.362 23.032 1.00 0.00 O ATOM 896 CB ALA A 60 11.539 -11.026 22.781 1.00 0.00 C ATOM 0 H ALA A 60 11.606 -11.183 20.314 1.00 0.00 H new ATOM 0 HA ALA A 60 11.592 -13.140 22.407 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.290 -11.128 23.837 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.618 -10.920 22.671 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.045 -10.143 22.375 1.00 0.00 H new ATOM 902 N THR A 61 8.735 -11.705 21.597 1.00 0.00 N ATOM 903 CA THR A 61 7.294 -11.785 21.824 1.00 0.00 C ATOM 904 C THR A 61 6.574 -12.568 20.729 1.00 0.00 C ATOM 905 O THR A 61 5.467 -13.064 20.941 1.00 0.00 O ATOM 906 CB THR A 61 6.656 -10.388 21.927 1.00 0.00 C ATOM 907 OG1 THR A 61 7.053 -9.581 20.810 1.00 0.00 O ATOM 908 CG2 THR A 61 7.042 -9.699 23.226 1.00 0.00 C ATOM 0 H THR A 61 9.020 -11.013 20.903 1.00 0.00 H new ATOM 0 HA THR A 61 7.176 -12.313 22.770 1.00 0.00 H new ATOM 0 HB THR A 61 5.573 -10.512 21.917 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.023 -9.445 20.833 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.576 -8.715 23.268 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.702 -10.298 24.071 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.126 -9.589 23.272 1.00 0.00 H new ATOM 916 N GLY A 62 7.197 -12.675 19.565 1.00 0.00 N ATOM 917 CA GLY A 62 6.549 -13.320 18.439 1.00 0.00 C ATOM 918 C GLY A 62 5.550 -12.402 17.766 1.00 0.00 C ATOM 919 O GLY A 62 4.435 -12.811 17.443 1.00 0.00 O ATOM 0 H GLY A 62 8.138 -12.328 19.379 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.302 -13.631 17.715 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.042 -14.223 18.779 1.00 0.00 H new ATOM 923 N HIS A 63 5.951 -11.156 17.555 1.00 0.00 N ATOM 924 CA HIS A 63 5.069 -10.154 16.966 1.00 0.00 C ATOM 925 C HIS A 63 5.652 -9.669 15.641 1.00 0.00 C ATOM 926 O HIS A 63 6.543 -8.821 15.619 1.00 0.00 O ATOM 927 CB HIS A 63 4.855 -8.980 17.937 1.00 0.00 C ATOM 928 CG HIS A 63 4.090 -9.352 19.180 1.00 0.00 C ATOM 929 ND1 HIS A 63 4.100 -8.559 20.309 1.00 0.00 N ATOM 930 CD2 HIS A 63 3.292 -10.425 19.412 1.00 0.00 C ATOM 931 CE1 HIS A 63 3.320 -9.157 21.181 1.00 0.00 C ATOM 932 NE2 HIS A 63 2.808 -10.292 20.688 1.00 0.00 N ATOM 0 H HIS A 63 6.884 -10.813 17.783 1.00 0.00 H new ATOM 0 HA HIS A 63 4.096 -10.606 16.774 1.00 0.00 H new ATOM 0 HB2 HIS A 63 5.826 -8.578 18.226 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.322 -8.184 17.418 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.079 -11.229 18.724 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.117 -8.780 22.172 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.179 -10.934 21.169 1.00 0.00 H new ATOM 940 N PRO A 64 5.157 -10.223 14.520 1.00 0.00 N ATOM 941 CA PRO A 64 5.776 -10.055 13.199 1.00 0.00 C ATOM 942 C PRO A 64 5.432 -8.748 12.485 1.00 0.00 C ATOM 943 O PRO A 64 5.961 -8.480 11.405 1.00 0.00 O ATOM 944 CB PRO A 64 5.210 -11.238 12.417 1.00 0.00 C ATOM 945 CG PRO A 64 3.857 -11.457 12.999 1.00 0.00 C ATOM 946 CD PRO A 64 3.954 -11.079 14.455 1.00 0.00 C ATOM 0 HA PRO A 64 6.862 -10.019 13.284 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.153 -11.018 11.351 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.837 -12.123 12.527 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.111 -10.848 12.488 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.550 -12.497 12.887 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.065 -10.545 14.789 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.055 -11.959 15.090 1.00 0.00 H new ATOM 954 N ILE A 65 4.553 -7.938 13.059 1.00 0.00 N ATOM 955 CA ILE A 65 4.148 -6.705 12.397 1.00 0.00 C ATOM 956 C ILE A 65 4.321 -5.490 13.299 1.00 0.00 C ATOM 957 O ILE A 65 3.880 -5.472 14.453 1.00 0.00 O ATOM 958 CB ILE A 65 2.689 -6.769 11.887 1.00 0.00 C ATOM 959 CG1 ILE A 65 2.538 -7.892 10.854 1.00 0.00 C ATOM 960 CG2 ILE A 65 2.272 -5.432 11.281 1.00 0.00 C ATOM 961 CD1 ILE A 65 1.165 -7.963 10.219 1.00 0.00 C ATOM 0 H ILE A 65 4.114 -8.107 13.964 1.00 0.00 H new ATOM 0 HA ILE A 65 4.809 -6.597 11.537 1.00 0.00 H new ATOM 0 HB ILE A 65 2.036 -6.981 12.734 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.283 -7.754 10.070 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.755 -8.846 11.335 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.243 -5.498 10.928 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.347 -4.651 12.037 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.928 -5.191 10.444 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.138 -8.782 9.500 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.415 -8.134 10.992 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.952 -7.024 9.707 1.00 0.00 H new ATOM 973 N ILE A 66 4.979 -4.481 12.752 1.00 0.00 N ATOM 974 CA ILE A 66 5.163 -3.208 13.426 1.00 0.00 C ATOM 975 C ILE A 66 4.713 -2.078 12.514 1.00 0.00 C ATOM 976 O ILE A 66 4.389 -2.308 11.351 1.00 0.00 O ATOM 977 CB ILE A 66 6.633 -2.978 13.825 1.00 0.00 C ATOM 978 CG1 ILE A 66 7.543 -3.184 12.610 1.00 0.00 C ATOM 979 CG2 ILE A 66 7.025 -3.904 14.967 1.00 0.00 C ATOM 980 CD1 ILE A 66 9.001 -2.893 12.879 1.00 0.00 C ATOM 0 H ILE A 66 5.402 -4.523 11.825 1.00 0.00 H new ATOM 0 HA ILE A 66 4.562 -3.226 14.335 1.00 0.00 H new ATOM 0 HB ILE A 66 6.751 -1.951 14.172 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.446 -4.214 12.266 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.199 -2.543 11.798 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.066 -3.729 15.237 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.389 -3.707 15.830 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.901 -4.941 14.654 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.579 -3.062 11.971 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.113 -1.855 13.193 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.364 -3.552 13.668 1.00 0.00 H new ATOM 992 N GLU A 67 4.699 -0.867 13.037 1.00 0.00 N ATOM 993 CA GLU A 67 4.263 0.288 12.276 1.00 0.00 C ATOM 994 C GLU A 67 5.239 1.442 12.462 1.00 0.00 C ATOM 995 O GLU A 67 5.800 1.614 13.545 1.00 0.00 O ATOM 996 CB GLU A 67 2.856 0.687 12.723 1.00 0.00 C ATOM 997 CG GLU A 67 2.308 1.933 12.051 1.00 0.00 C ATOM 998 CD GLU A 67 0.832 2.119 12.320 1.00 0.00 C ATOM 999 OE1 GLU A 67 0.447 2.277 13.498 1.00 0.00 O ATOM 1000 OE2 GLU A 67 0.045 2.073 11.361 1.00 0.00 O ATOM 0 H GLU A 67 4.987 -0.657 13.993 1.00 0.00 H new ATOM 0 HA GLU A 67 4.239 0.037 11.216 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.178 -0.143 12.527 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.863 0.845 13.801 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.854 2.807 12.407 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.475 1.868 10.976 1.00 0.00 H new ATOM 1007 N GLY A 68 5.460 2.203 11.397 1.00 0.00 N ATOM 1008 CA GLY A 68 6.334 3.356 11.472 1.00 0.00 C ATOM 1009 C GLY A 68 5.776 4.415 12.395 1.00 0.00 C ATOM 1010 O GLY A 68 4.824 5.112 12.047 1.00 0.00 O ATOM 0 H GLY A 68 5.047 2.040 10.479 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.318 3.046 11.825 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.471 3.776 10.475 1.00 0.00 H new ATOM 1014 N TYR A 69 6.369 4.537 13.572 1.00 0.00 N ATOM 1015 CA TYR A 69 5.846 5.423 14.596 1.00 0.00 C ATOM 1016 C TYR A 69 6.506 6.795 14.526 1.00 0.00 C ATOM 1017 O TYR A 69 5.846 7.817 14.710 1.00 0.00 O ATOM 1018 CB TYR A 69 6.053 4.798 15.978 1.00 0.00 C ATOM 1019 CG TYR A 69 5.426 5.585 17.104 1.00 0.00 C ATOM 1020 CD1 TYR A 69 4.045 5.677 17.226 1.00 0.00 C ATOM 1021 CD2 TYR A 69 6.212 6.240 18.040 1.00 0.00 C ATOM 1022 CE1 TYR A 69 3.469 6.399 18.251 1.00 0.00 C ATOM 1023 CE2 TYR A 69 5.642 6.964 19.066 1.00 0.00 C ATOM 1024 CZ TYR A 69 4.272 7.041 19.167 1.00 0.00 C ATOM 1025 OH TYR A 69 3.704 7.762 20.189 1.00 0.00 O ATOM 0 H TYR A 69 7.214 4.032 13.841 1.00 0.00 H new ATOM 0 HA TYR A 69 4.779 5.559 14.422 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.638 3.790 15.976 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.122 4.702 16.166 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.413 5.176 16.508 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.288 6.182 17.964 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.394 6.460 18.334 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.268 7.468 19.787 1.00 0.00 H new ATOM 0 HH TYR A 69 4.022 7.416 21.049 1.00 0.00 H new ATOM 1035 N ASP A 70 7.805 6.816 14.250 1.00 0.00 N ATOM 1036 CA ASP A 70 8.542 8.077 14.179 1.00 0.00 C ATOM 1037 C ASP A 70 8.191 8.898 12.923 1.00 0.00 C ATOM 1038 O ASP A 70 8.119 10.124 13.011 1.00 0.00 O ATOM 1039 CB ASP A 70 10.064 7.851 14.282 1.00 0.00 C ATOM 1040 CG ASP A 70 10.708 7.367 12.996 1.00 0.00 C ATOM 1041 OD1 ASP A 70 10.760 6.138 12.780 1.00 0.00 O ATOM 1042 OD2 ASP A 70 11.188 8.206 12.209 1.00 0.00 O ATOM 0 H ASP A 70 8.367 5.984 14.073 1.00 0.00 H new ATOM 0 HA ASP A 70 8.227 8.664 15.042 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.539 8.784 14.585 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.260 7.124 15.070 1.00 0.00 H new ATOM 1047 N PRO A 71 7.959 8.280 11.735 1.00 0.00 N ATOM 1048 CA PRO A 71 7.583 9.038 10.552 1.00 0.00 C ATOM 1049 C PRO A 71 6.073 9.248 10.459 1.00 0.00 C ATOM 1050 O PRO A 71 5.292 8.303 10.594 1.00 0.00 O ATOM 1051 CB PRO A 71 8.085 8.161 9.409 1.00 0.00 C ATOM 1052 CG PRO A 71 7.995 6.763 9.922 1.00 0.00 C ATOM 1053 CD PRO A 71 8.054 6.836 11.428 1.00 0.00 C ATOM 0 HA PRO A 71 8.004 10.044 10.549 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.476 8.293 8.515 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.109 8.416 9.137 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.068 6.292 9.596 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.814 6.157 9.534 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.236 6.279 11.884 1.00 0.00 H new ATOM 0 HD3 PRO A 71 8.982 6.410 11.810 1.00 0.00 H new ATOM 1061 N PRO A 72 5.642 10.499 10.232 1.00 0.00 N ATOM 1062 CA PRO A 72 4.220 10.849 10.088 1.00 0.00 C ATOM 1063 C PRO A 72 3.622 10.358 8.765 1.00 0.00 C ATOM 1064 O PRO A 72 2.863 11.072 8.107 1.00 0.00 O ATOM 1065 CB PRO A 72 4.230 12.379 10.135 1.00 0.00 C ATOM 1066 CG PRO A 72 5.586 12.766 9.657 1.00 0.00 C ATOM 1067 CD PRO A 72 6.517 11.681 10.120 1.00 0.00 C ATOM 0 HA PRO A 72 3.607 10.385 10.861 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.451 12.799 9.498 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.048 12.745 11.145 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.605 12.858 8.571 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.881 13.733 10.064 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.326 11.515 9.408 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.979 11.930 11.075 1.00 0.00 H new ATOM 1075 N GLU A 73 3.958 9.132 8.392 1.00 0.00 N ATOM 1076 CA GLU A 73 3.476 8.540 7.155 1.00 0.00 C ATOM 1077 C GLU A 73 2.327 7.579 7.436 1.00 0.00 C ATOM 1078 O GLU A 73 1.215 7.754 6.935 1.00 0.00 O ATOM 1079 CB GLU A 73 4.606 7.790 6.451 1.00 0.00 C ATOM 1080 CG GLU A 73 5.831 8.640 6.161 1.00 0.00 C ATOM 1081 CD GLU A 73 6.940 7.839 5.513 1.00 0.00 C ATOM 1082 OE1 GLU A 73 7.743 7.229 6.248 1.00 0.00 O ATOM 1083 OE2 GLU A 73 7.000 7.805 4.266 1.00 0.00 O ATOM 0 H GLU A 73 4.569 8.523 8.936 1.00 0.00 H new ATOM 0 HA GLU A 73 3.120 9.343 6.509 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.904 6.942 7.068 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.228 7.385 5.512 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.552 9.466 5.507 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.196 9.078 7.090 1.00 0.00 H new ATOM 1090 N GLY A 74 2.605 6.564 8.242 1.00 0.00 N ATOM 1091 CA GLY A 74 1.605 5.562 8.542 1.00 0.00 C ATOM 1092 C GLY A 74 1.755 4.331 7.673 1.00 0.00 C ATOM 1093 O GLY A 74 1.021 4.154 6.700 1.00 0.00 O ATOM 0 H GLY A 74 3.508 6.417 8.694 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.682 5.276 9.591 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.612 5.987 8.399 1.00 0.00 H new ATOM 1097 N TRP A 75 2.716 3.486 8.011 1.00 0.00 N ATOM 1098 CA TRP A 75 2.943 2.253 7.272 1.00 0.00 C ATOM 1099 C TRP A 75 3.347 1.130 8.213 1.00 0.00 C ATOM 1100 O TRP A 75 3.876 1.376 9.297 1.00 0.00 O ATOM 1101 CB TRP A 75 4.006 2.444 6.178 1.00 0.00 C ATOM 1102 CG TRP A 75 5.254 3.148 6.629 1.00 0.00 C ATOM 1103 CD1 TRP A 75 5.561 4.460 6.422 1.00 0.00 C ATOM 1104 CD2 TRP A 75 6.365 2.586 7.345 1.00 0.00 C ATOM 1105 NE1 TRP A 75 6.787 4.752 6.963 1.00 0.00 N ATOM 1106 CE2 TRP A 75 7.302 3.619 7.536 1.00 0.00 C ATOM 1107 CE3 TRP A 75 6.658 1.312 7.844 1.00 0.00 C ATOM 1108 CZ2 TRP A 75 8.508 3.418 8.204 1.00 0.00 C ATOM 1109 CZ3 TRP A 75 7.855 1.114 8.505 1.00 0.00 C ATOM 1110 CH2 TRP A 75 8.767 2.161 8.680 1.00 0.00 C ATOM 0 H TRP A 75 3.353 3.631 8.794 1.00 0.00 H new ATOM 0 HA TRP A 75 2.006 1.981 6.786 1.00 0.00 H new ATOM 0 HB2 TRP A 75 4.280 1.466 5.783 1.00 0.00 H new ATOM 0 HB3 TRP A 75 3.564 3.008 5.356 1.00 0.00 H new ATOM 0 HD1 TRP A 75 4.929 5.168 5.906 1.00 0.00 H new ATOM 0 HE1 TRP A 75 7.242 5.665 6.942 1.00 0.00 H new ATOM 0 HE3 TRP A 75 5.961 0.498 7.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 9.213 4.225 8.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 8.091 0.134 8.893 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.694 1.973 9.201 1.00 0.00 H new ATOM 1121 N GLY A 76 3.098 -0.097 7.791 1.00 0.00 N ATOM 1122 CA GLY A 76 3.418 -1.245 8.604 1.00 0.00 C ATOM 1123 C GLY A 76 4.492 -2.109 7.979 1.00 0.00 C ATOM 1124 O GLY A 76 4.575 -2.228 6.753 1.00 0.00 O ATOM 0 H GLY A 76 2.675 -0.319 6.890 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.750 -0.910 9.587 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.518 -1.841 8.757 1.00 0.00 H new ATOM 1128 N TRP A 77 5.309 -2.712 8.824 1.00 0.00 N ATOM 1129 CA TRP A 77 6.388 -3.572 8.377 1.00 0.00 C ATOM 1130 C TRP A 77 6.198 -4.972 8.941 1.00 0.00 C ATOM 1131 O TRP A 77 5.963 -5.142 10.138 1.00 0.00 O ATOM 1132 CB TRP A 77 7.740 -2.999 8.819 1.00 0.00 C ATOM 1133 CG TRP A 77 8.918 -3.847 8.436 1.00 0.00 C ATOM 1134 CD1 TRP A 77 9.561 -4.763 9.220 1.00 0.00 C ATOM 1135 CD2 TRP A 77 9.596 -3.855 7.174 1.00 0.00 C ATOM 1136 NE1 TRP A 77 10.593 -5.340 8.523 1.00 0.00 N ATOM 1137 CE2 TRP A 77 10.637 -4.798 7.265 1.00 0.00 C ATOM 1138 CE3 TRP A 77 9.425 -3.155 5.977 1.00 0.00 C ATOM 1139 CZ2 TRP A 77 11.501 -5.058 6.204 1.00 0.00 C ATOM 1140 CZ3 TRP A 77 10.282 -3.415 4.925 1.00 0.00 C ATOM 1141 CH2 TRP A 77 11.309 -4.359 5.045 1.00 0.00 C ATOM 0 H TRP A 77 5.243 -2.619 9.838 1.00 0.00 H new ATOM 0 HA TRP A 77 6.374 -3.624 7.288 1.00 0.00 H new ATOM 0 HB2 TRP A 77 7.862 -2.007 8.383 1.00 0.00 H new ATOM 0 HB3 TRP A 77 7.733 -2.873 9.902 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.296 -4.999 10.240 1.00 0.00 H new ATOM 0 HE1 TRP A 77 11.224 -6.056 8.883 1.00 0.00 H new ATOM 0 HE3 TRP A 77 8.637 -2.424 5.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 12.294 -5.786 6.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 10.158 -2.881 3.994 1.00 0.00 H new ATOM 0 HH2 TRP A 77 11.963 -4.539 4.205 1.00 0.00 H new ATOM 1152 N CYS A 78 6.281 -5.969 8.077 1.00 0.00 N ATOM 1153 CA CYS A 78 6.160 -7.352 8.505 1.00 0.00 C ATOM 1154 C CYS A 78 7.521 -8.028 8.405 1.00 0.00 C ATOM 1155 O CYS A 78 8.052 -8.181 7.311 1.00 0.00 O ATOM 1156 CB CYS A 78 5.129 -8.084 7.645 1.00 0.00 C ATOM 1157 SG CYS A 78 4.405 -9.560 8.432 1.00 0.00 S ATOM 0 H CYS A 78 6.432 -5.847 7.076 1.00 0.00 H new ATOM 0 HA CYS A 78 5.820 -7.385 9.540 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.326 -7.391 7.393 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.600 -8.381 6.708 1.00 0.00 H new ATOM 1162 N TYR A 79 8.074 -8.424 9.549 1.00 0.00 N ATOM 1163 CA TYR A 79 9.450 -8.927 9.629 1.00 0.00 C ATOM 1164 C TYR A 79 9.721 -10.088 8.676 1.00 0.00 C ATOM 1165 O TYR A 79 10.526 -9.963 7.758 1.00 0.00 O ATOM 1166 CB TYR A 79 9.777 -9.362 11.057 1.00 0.00 C ATOM 1167 CG TYR A 79 9.842 -8.224 12.045 1.00 0.00 C ATOM 1168 CD1 TYR A 79 10.960 -7.404 12.113 1.00 0.00 C ATOM 1169 CD2 TYR A 79 8.793 -7.979 12.919 1.00 0.00 C ATOM 1170 CE1 TYR A 79 11.030 -6.372 13.025 1.00 0.00 C ATOM 1171 CE2 TYR A 79 8.854 -6.947 13.831 1.00 0.00 C ATOM 1172 CZ TYR A 79 9.974 -6.148 13.881 1.00 0.00 C ATOM 1173 OH TYR A 79 10.042 -5.126 14.795 1.00 0.00 O ATOM 0 H TYR A 79 7.587 -8.407 10.445 1.00 0.00 H new ATOM 0 HA TYR A 79 10.093 -8.100 9.328 1.00 0.00 H new ATOM 0 HB2 TYR A 79 9.024 -10.076 11.390 1.00 0.00 H new ATOM 0 HB3 TYR A 79 10.734 -9.885 11.057 1.00 0.00 H new ATOM 0 HD1 TYR A 79 11.788 -7.577 11.441 1.00 0.00 H new ATOM 0 HD2 TYR A 79 7.915 -8.607 12.884 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.907 -5.743 13.068 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.028 -6.766 14.503 1.00 0.00 H new ATOM 0 HH TYR A 79 9.963 -5.491 15.701 1.00 0.00 H new ATOM 1183 N VAL A 80 9.047 -11.212 8.895 1.00 0.00 N ATOM 1184 CA VAL A 80 9.308 -12.428 8.120 1.00 0.00 C ATOM 1185 C VAL A 80 8.949 -12.262 6.643 1.00 0.00 C ATOM 1186 O VAL A 80 9.454 -12.989 5.787 1.00 0.00 O ATOM 1187 CB VAL A 80 8.558 -13.648 8.699 1.00 0.00 C ATOM 1188 CG1 VAL A 80 9.183 -14.082 10.015 1.00 0.00 C ATOM 1189 CG2 VAL A 80 7.080 -13.339 8.893 1.00 0.00 C ATOM 0 H VAL A 80 8.317 -11.310 9.600 1.00 0.00 H new ATOM 0 HA VAL A 80 10.381 -12.605 8.194 1.00 0.00 H new ATOM 0 HB VAL A 80 8.644 -14.466 7.984 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.642 -14.943 10.408 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.226 -14.353 9.851 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.130 -13.262 10.731 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.576 -14.215 9.302 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.971 -12.502 9.583 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.634 -13.078 7.933 1.00 0.00 H new ATOM 1199 N ASP A 81 8.085 -11.303 6.353 1.00 0.00 N ATOM 1200 CA ASP A 81 7.657 -11.040 4.982 1.00 0.00 C ATOM 1201 C ASP A 81 8.636 -10.093 4.305 1.00 0.00 C ATOM 1202 O ASP A 81 8.906 -10.208 3.110 1.00 0.00 O ATOM 1203 CB ASP A 81 6.265 -10.402 4.957 1.00 0.00 C ATOM 1204 CG ASP A 81 5.201 -11.217 5.661 1.00 0.00 C ATOM 1205 OD1 ASP A 81 5.432 -11.661 6.797 1.00 0.00 O ATOM 1206 OD2 ASP A 81 4.093 -11.357 5.114 1.00 0.00 O ATOM 0 H ASP A 81 7.663 -10.689 7.050 1.00 0.00 H new ATOM 0 HA ASP A 81 7.626 -11.992 4.453 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.320 -9.417 5.421 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.965 -10.250 3.920 1.00 0.00 H new ATOM 1211 N GLU A 82 9.146 -9.147 5.094 1.00 0.00 N ATOM 1212 CA GLU A 82 10.058 -8.108 4.619 1.00 0.00 C ATOM 1213 C GLU A 82 9.342 -7.167 3.657 1.00 0.00 C ATOM 1214 O GLU A 82 9.970 -6.481 2.850 1.00 0.00 O ATOM 1215 CB GLU A 82 11.298 -8.715 3.959 1.00 0.00 C ATOM 1216 CG GLU A 82 12.104 -9.603 4.891 1.00 0.00 C ATOM 1217 CD GLU A 82 13.384 -10.096 4.260 1.00 0.00 C ATOM 1218 OE1 GLU A 82 13.318 -11.012 3.413 1.00 0.00 O ATOM 1219 OE2 GLU A 82 14.463 -9.566 4.606 1.00 0.00 O ATOM 0 H GLU A 82 8.935 -9.080 6.090 1.00 0.00 H new ATOM 0 HA GLU A 82 10.390 -7.533 5.484 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.990 -9.297 3.091 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.936 -7.911 3.593 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.341 -9.050 5.800 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.497 -10.458 5.188 1.00 0.00 H new ATOM 1226 N VAL A 83 8.022 -7.124 3.767 1.00 0.00 N ATOM 1227 CA VAL A 83 7.217 -6.251 2.933 1.00 0.00 C ATOM 1228 C VAL A 83 6.643 -5.104 3.755 1.00 0.00 C ATOM 1229 O VAL A 83 6.247 -5.287 4.913 1.00 0.00 O ATOM 1230 CB VAL A 83 6.067 -7.010 2.226 1.00 0.00 C ATOM 1231 CG1 VAL A 83 6.625 -8.090 1.311 1.00 0.00 C ATOM 1232 CG2 VAL A 83 5.093 -7.608 3.235 1.00 0.00 C ATOM 0 H VAL A 83 7.487 -7.686 4.429 1.00 0.00 H new ATOM 0 HA VAL A 83 7.878 -5.854 2.163 1.00 0.00 H new ATOM 0 HB VAL A 83 5.515 -6.292 1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.803 -8.613 0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.264 -7.633 0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.208 -8.799 1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.298 -8.134 2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.623 -8.307 3.882 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.661 -6.811 3.840 1.00 0.00 H new ATOM 1242 N MET A 84 6.640 -3.922 3.164 1.00 0.00 N ATOM 1243 CA MET A 84 6.069 -2.745 3.796 1.00 0.00 C ATOM 1244 C MET A 84 4.753 -2.376 3.120 1.00 0.00 C ATOM 1245 O MET A 84 4.664 -2.340 1.889 1.00 0.00 O ATOM 1246 CB MET A 84 7.050 -1.573 3.714 1.00 0.00 C ATOM 1247 CG MET A 84 6.579 -0.324 4.443 1.00 0.00 C ATOM 1248 SD MET A 84 7.732 1.056 4.279 1.00 0.00 S ATOM 1249 CE MET A 84 9.203 0.374 5.042 1.00 0.00 C ATOM 0 H MET A 84 7.031 -3.751 2.238 1.00 0.00 H new ATOM 0 HA MET A 84 5.877 -2.968 4.846 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.009 -1.884 4.129 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.221 -1.328 2.666 1.00 0.00 H new ATOM 0 HG2 MET A 84 5.605 -0.027 4.054 1.00 0.00 H new ATOM 0 HG3 MET A 84 6.443 -0.555 5.500 1.00 0.00 H new ATOM 0 HE1 MET A 84 9.884 1.183 5.306 1.00 0.00 H new ATOM 0 HE2 MET A 84 8.925 -0.174 5.942 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.695 -0.302 4.343 1.00 0.00 H new ATOM 1259 N PHE A 85 3.737 -2.117 3.925 1.00 0.00 N ATOM 1260 CA PHE A 85 2.422 -1.760 3.416 1.00 0.00 C ATOM 1261 C PHE A 85 1.893 -0.532 4.144 1.00 0.00 C ATOM 1262 O PHE A 85 2.281 -0.268 5.277 1.00 0.00 O ATOM 1263 CB PHE A 85 1.450 -2.941 3.560 1.00 0.00 C ATOM 1264 CG PHE A 85 1.450 -3.575 4.925 1.00 0.00 C ATOM 1265 CD1 PHE A 85 0.616 -3.106 5.926 1.00 0.00 C ATOM 1266 CD2 PHE A 85 2.287 -4.646 5.204 1.00 0.00 C ATOM 1267 CE1 PHE A 85 0.616 -3.689 7.177 1.00 0.00 C ATOM 1268 CE2 PHE A 85 2.291 -5.233 6.454 1.00 0.00 C ATOM 1269 CZ PHE A 85 1.455 -4.755 7.442 1.00 0.00 C ATOM 0 H PHE A 85 3.798 -2.148 4.943 1.00 0.00 H new ATOM 0 HA PHE A 85 2.509 -1.521 2.356 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.441 -2.597 3.331 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.704 -3.699 2.819 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.043 -2.274 5.725 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.943 -5.025 4.434 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.039 -3.312 7.949 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.948 -6.066 6.658 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.456 -5.213 8.420 1.00 0.00 H new ATOM 1279 N ASP A 86 1.021 0.220 3.491 1.00 0.00 N ATOM 1280 CA ASP A 86 0.488 1.445 4.076 1.00 0.00 C ATOM 1281 C ASP A 86 -0.594 1.126 5.102 1.00 0.00 C ATOM 1282 O ASP A 86 -1.455 0.273 4.869 1.00 0.00 O ATOM 1283 CB ASP A 86 -0.079 2.363 2.987 1.00 0.00 C ATOM 1284 CG ASP A 86 -0.510 3.717 3.524 1.00 0.00 C ATOM 1285 OD1 ASP A 86 -1.620 3.815 4.090 1.00 0.00 O ATOM 1286 OD2 ASP A 86 0.255 4.694 3.373 1.00 0.00 O ATOM 0 H ASP A 86 0.667 0.007 2.559 1.00 0.00 H new ATOM 0 HA ASP A 86 1.306 1.961 4.579 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.674 2.508 2.212 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.933 1.876 2.516 1.00 0.00 H new ATOM 1291 N LEU A 87 -0.538 1.809 6.237 1.00 0.00 N ATOM 1292 CA LEU A 87 -1.522 1.636 7.297 1.00 0.00 C ATOM 1293 C LEU A 87 -2.077 2.980 7.737 1.00 0.00 C ATOM 1294 O LEU A 87 -2.706 3.073 8.779 1.00 0.00 O ATOM 1295 CB LEU A 87 -0.902 0.936 8.510 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.822 -0.587 8.437 1.00 0.00 C ATOM 1297 CD1 LEU A 87 -0.195 -1.138 9.705 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -2.205 -1.184 8.240 1.00 0.00 C ATOM 0 H LEU A 87 0.187 2.495 6.449 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.328 1.020 6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.106 1.326 8.654 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.478 1.208 9.395 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.200 -0.860 7.585 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.143 -2.225 9.642 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.810 -0.732 9.820 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.802 -0.853 10.565 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.129 -2.270 8.190 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.845 -0.903 9.076 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.635 -0.808 7.312 1.00 0.00 H new ATOM 1310 N SER A 88 -1.877 4.008 6.921 1.00 0.00 N ATOM 1311 CA SER A 88 -2.209 5.376 7.313 1.00 0.00 C ATOM 1312 C SER A 88 -3.707 5.531 7.606 1.00 0.00 C ATOM 1313 O SER A 88 -4.111 6.396 8.385 1.00 0.00 O ATOM 1314 CB SER A 88 -1.771 6.353 6.217 1.00 0.00 C ATOM 1315 OG SER A 88 -1.665 7.677 6.715 1.00 0.00 O ATOM 0 H SER A 88 -1.486 3.922 5.983 1.00 0.00 H new ATOM 0 HA SER A 88 -1.671 5.605 8.233 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.810 6.038 5.810 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.489 6.328 5.397 1.00 0.00 H new ATOM 0 HG SER A 88 -0.721 7.897 6.861 1.00 0.00 H new ATOM 1321 N ASP A 89 -4.523 4.677 6.998 1.00 0.00 N ATOM 1322 CA ASP A 89 -5.971 4.697 7.217 1.00 0.00 C ATOM 1323 C ASP A 89 -6.322 4.167 8.608 1.00 0.00 C ATOM 1324 O ASP A 89 -7.360 4.506 9.179 1.00 0.00 O ATOM 1325 CB ASP A 89 -6.656 3.839 6.145 1.00 0.00 C ATOM 1326 CG ASP A 89 -8.151 3.686 6.355 1.00 0.00 C ATOM 1327 OD1 ASP A 89 -8.567 2.751 7.071 1.00 0.00 O ATOM 1328 OD2 ASP A 89 -8.919 4.481 5.777 1.00 0.00 O ATOM 0 H ASP A 89 -4.208 3.958 6.346 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.321 5.727 7.148 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.479 4.285 5.166 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.196 2.851 6.133 1.00 0.00 H new ATOM 1333 N ARG A 90 -5.417 3.383 9.169 1.00 0.00 N ATOM 1334 CA ARG A 90 -5.667 2.667 10.413 1.00 0.00 C ATOM 1335 C ARG A 90 -4.440 2.707 11.308 1.00 0.00 C ATOM 1336 O ARG A 90 -4.185 1.777 12.070 1.00 0.00 O ATOM 1337 CB ARG A 90 -6.040 1.215 10.095 1.00 0.00 C ATOM 1338 CG ARG A 90 -5.249 0.633 8.938 1.00 0.00 C ATOM 1339 CD ARG A 90 -5.786 -0.724 8.508 1.00 0.00 C ATOM 1340 NE ARG A 90 -7.200 -0.667 8.135 1.00 0.00 N ATOM 1341 CZ ARG A 90 -7.643 -0.566 6.880 1.00 0.00 C ATOM 1342 NH1 ARG A 90 -6.789 -0.429 5.871 1.00 0.00 N ATOM 1343 NH2 ARG A 90 -8.947 -0.579 6.639 1.00 0.00 N ATOM 0 H ARG A 90 -4.489 3.224 8.777 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.490 3.148 10.941 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.878 0.603 10.982 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.104 1.163 9.862 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.283 1.321 8.093 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.203 0.534 9.227 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.204 -1.092 7.663 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.655 -1.439 9.321 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.892 -0.707 8.883 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.786 -0.400 6.052 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.137 -0.353 4.915 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.608 -0.666 7.411 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.289 -0.502 5.681 1.00 0.00 H new ATOM 1357 N MET A 91 -3.699 3.803 11.229 1.00 0.00 N ATOM 1358 CA MET A 91 -2.409 3.903 11.897 1.00 0.00 C ATOM 1359 C MET A 91 -2.556 4.311 13.354 1.00 0.00 C ATOM 1360 O MET A 91 -3.625 4.747 13.794 1.00 0.00 O ATOM 1361 CB MET A 91 -1.500 4.903 11.178 1.00 0.00 C ATOM 1362 CG MET A 91 -1.988 6.342 11.242 1.00 0.00 C ATOM 1363 SD MET A 91 -0.782 7.508 10.582 1.00 0.00 S ATOM 1364 CE MET A 91 0.601 7.214 11.685 1.00 0.00 C ATOM 0 H MET A 91 -3.970 4.637 10.708 1.00 0.00 H new ATOM 0 HA MET A 91 -1.957 2.912 11.862 1.00 0.00 H new ATOM 0 HB2 MET A 91 -0.502 4.849 11.613 1.00 0.00 H new ATOM 0 HB3 MET A 91 -1.408 4.608 10.133 1.00 0.00 H new ATOM 0 HG2 MET A 91 -2.919 6.432 10.683 1.00 0.00 H new ATOM 0 HG3 MET A 91 -2.211 6.601 12.277 1.00 0.00 H new ATOM 0 HE1 MET A 91 1.338 8.007 11.563 1.00 0.00 H new ATOM 0 HE2 MET A 91 0.248 7.202 12.716 1.00 0.00 H new ATOM 0 HE3 MET A 91 1.058 6.254 11.447 1.00 0.00 H new ATOM 1374 N THR A 92 -1.473 4.158 14.094 1.00 0.00 N ATOM 1375 CA THR A 92 -1.425 4.574 15.479 1.00 0.00 C ATOM 1376 C THR A 92 -0.913 6.010 15.578 1.00 0.00 C ATOM 1377 O THR A 92 0.189 6.316 15.120 1.00 0.00 O ATOM 1378 CB THR A 92 -0.503 3.653 16.297 1.00 0.00 C ATOM 1379 OG1 THR A 92 -0.716 2.287 15.917 1.00 0.00 O ATOM 1380 CG2 THR A 92 -0.765 3.815 17.785 1.00 0.00 C ATOM 0 H THR A 92 -0.606 3.743 13.751 1.00 0.00 H new ATOM 0 HA THR A 92 -2.435 4.514 15.883 1.00 0.00 H new ATOM 0 HB THR A 92 0.531 3.931 16.092 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.152 2.070 15.145 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.103 3.155 18.345 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.579 4.849 18.077 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.802 3.558 18.002 1.00 0.00 H new ATOM 1388 N PRO A 93 -1.716 6.915 16.156 1.00 0.00 N ATOM 1389 CA PRO A 93 -1.326 8.313 16.341 1.00 0.00 C ATOM 1390 C PRO A 93 -0.185 8.455 17.341 1.00 0.00 C ATOM 1391 O PRO A 93 0.090 7.543 18.123 1.00 0.00 O ATOM 1392 CB PRO A 93 -2.596 8.985 16.880 1.00 0.00 C ATOM 1393 CG PRO A 93 -3.697 8.010 16.633 1.00 0.00 C ATOM 1394 CD PRO A 93 -3.062 6.654 16.671 1.00 0.00 C ATOM 0 HA PRO A 93 -0.963 8.759 15.415 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -2.501 9.209 17.942 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.787 9.930 16.371 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.474 8.098 17.392 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.171 8.192 15.668 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.037 6.247 17.682 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.601 5.937 16.052 1.00 0.00 H new ATOM 1402 N HIS A 94 0.472 9.602 17.320 1.00 0.00 N ATOM 1403 CA HIS A 94 1.596 9.849 18.209 1.00 0.00 C ATOM 1404 C HIS A 94 1.096 10.151 19.613 1.00 0.00 C ATOM 1405 O HIS A 94 0.013 10.706 19.791 1.00 0.00 O ATOM 1406 CB HIS A 94 2.460 11.003 17.692 1.00 0.00 C ATOM 1407 CG HIS A 94 3.141 10.718 16.386 1.00 0.00 C ATOM 1408 ND1 HIS A 94 3.781 11.685 15.642 1.00 0.00 N ATOM 1409 CD2 HIS A 94 3.288 9.562 15.697 1.00 0.00 C ATOM 1410 CE1 HIS A 94 4.289 11.136 14.554 1.00 0.00 C ATOM 1411 NE2 HIS A 94 4.007 9.847 14.563 1.00 0.00 N ATOM 0 H HIS A 94 0.247 10.378 16.697 1.00 0.00 H new ATOM 0 HA HIS A 94 2.213 8.951 18.238 1.00 0.00 H new ATOM 0 HB2 HIS A 94 1.835 11.889 17.578 1.00 0.00 H new ATOM 0 HB3 HIS A 94 3.216 11.241 18.440 1.00 0.00 H new ATOM 0 HD2 HIS A 94 2.909 8.593 15.987 1.00 0.00 H new ATOM 0 HE1 HIS A 94 4.843 11.655 13.785 1.00 0.00 H new ATOM 0 HE2 HIS A 94 4.278 9.174 13.846 1.00 0.00 H new ATOM 1420 N ASN A 95 1.885 9.778 20.606 1.00 0.00 N ATOM 1421 CA ASN A 95 1.496 9.945 22.003 1.00 0.00 C ATOM 1422 C ASN A 95 2.015 11.276 22.548 1.00 0.00 C ATOM 1423 O ASN A 95 1.945 11.547 23.746 1.00 0.00 O ATOM 1424 CB ASN A 95 2.039 8.774 22.830 1.00 0.00 C ATOM 1425 CG ASN A 95 1.412 8.668 24.208 1.00 0.00 C ATOM 1426 OD1 ASN A 95 0.259 9.047 24.416 1.00 0.00 O ATOM 1427 ND2 ASN A 95 2.163 8.128 25.154 1.00 0.00 N ATOM 0 H ASN A 95 2.804 9.355 20.474 1.00 0.00 H new ATOM 0 HA ASN A 95 0.408 9.954 22.072 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.866 7.845 22.288 1.00 0.00 H new ATOM 0 HB3 ASN A 95 3.118 8.884 22.937 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.791 8.013 26.097 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.114 7.827 24.940 1.00 0.00 H new ATOM 1434 N GLY A 96 2.525 12.108 21.654 1.00 0.00 N ATOM 1435 CA GLY A 96 3.049 13.397 22.051 1.00 0.00 C ATOM 1436 C GLY A 96 4.281 13.773 21.254 1.00 0.00 C ATOM 1437 O GLY A 96 4.658 13.054 20.327 1.00 0.00 O ATOM 0 H GLY A 96 2.585 11.912 20.655 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.282 14.159 21.915 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.295 13.378 23.113 1.00 0.00 H new ATOM 1441 N PRO A 97 4.924 14.903 21.585 1.00 0.00 N ATOM 1442 CA PRO A 97 6.145 15.351 20.908 1.00 0.00 C ATOM 1443 C PRO A 97 7.315 14.403 21.158 1.00 0.00 C ATOM 1444 O PRO A 97 7.746 14.219 22.300 1.00 0.00 O ATOM 1445 CB PRO A 97 6.428 16.727 21.526 1.00 0.00 C ATOM 1446 CG PRO A 97 5.163 17.121 22.211 1.00 0.00 C ATOM 1447 CD PRO A 97 4.509 15.841 22.636 1.00 0.00 C ATOM 0 HA PRO A 97 6.021 15.383 19.826 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.258 16.678 22.231 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.703 17.453 20.760 1.00 0.00 H new ATOM 0 HG2 PRO A 97 5.367 17.759 23.071 1.00 0.00 H new ATOM 0 HG3 PRO A 97 4.516 17.686 21.541 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.848 15.521 23.621 1.00 0.00 H new ATOM 0 HD3 PRO A 97 3.425 15.938 22.687 1.00 0.00 H new ATOM 1455 N ILE A 98 7.818 13.804 20.089 1.00 0.00 N ATOM 1456 CA ILE A 98 8.884 12.818 20.190 1.00 0.00 C ATOM 1457 C ILE A 98 10.249 13.467 19.984 1.00 0.00 C ATOM 1458 O ILE A 98 10.447 14.218 19.026 1.00 0.00 O ATOM 1459 CB ILE A 98 8.694 11.695 19.149 1.00 0.00 C ATOM 1460 CG1 ILE A 98 7.314 11.052 19.310 1.00 0.00 C ATOM 1461 CG2 ILE A 98 9.793 10.648 19.279 1.00 0.00 C ATOM 1462 CD1 ILE A 98 7.038 9.952 18.311 1.00 0.00 C ATOM 0 H ILE A 98 7.503 13.985 19.136 1.00 0.00 H new ATOM 0 HA ILE A 98 8.839 12.391 21.192 1.00 0.00 H new ATOM 0 HB ILE A 98 8.760 12.132 18.153 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.227 10.646 20.318 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.550 11.823 19.210 1.00 0.00 H new ATOM 0 HG21 ILE A 98 9.640 9.866 18.536 1.00 0.00 H new ATOM 0 HG22 ILE A 98 10.763 11.117 19.117 1.00 0.00 H new ATOM 0 HG23 ILE A 98 9.763 10.211 20.277 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.043 9.543 18.486 1.00 0.00 H new ATOM 0 HD12 ILE A 98 7.092 10.356 17.300 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.780 9.162 18.426 1.00 0.00 H new ATOM 1474 N PRO A 99 11.200 13.210 20.894 1.00 0.00 N ATOM 1475 CA PRO A 99 12.566 13.722 20.773 1.00 0.00 C ATOM 1476 C PRO A 99 13.317 13.102 19.594 1.00 0.00 C ATOM 1477 O PRO A 99 13.685 11.926 19.618 1.00 0.00 O ATOM 1478 CB PRO A 99 13.225 13.332 22.100 1.00 0.00 C ATOM 1479 CG PRO A 99 12.415 12.193 22.616 1.00 0.00 C ATOM 1480 CD PRO A 99 11.012 12.418 22.123 1.00 0.00 C ATOM 0 HA PRO A 99 12.579 14.795 20.584 1.00 0.00 H new ATOM 0 HB2 PRO A 99 14.265 13.041 21.953 1.00 0.00 H new ATOM 0 HB3 PRO A 99 13.223 14.167 22.801 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.807 11.242 22.255 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.444 12.157 23.705 1.00 0.00 H new ATOM 0 HD2 PRO A 99 10.503 11.476 21.919 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.410 12.954 22.857 1.00 0.00 H new ATOM 1488 N ARG A 100 13.518 13.896 18.556 1.00 0.00 N ATOM 1489 CA ARG A 100 14.269 13.466 17.388 1.00 0.00 C ATOM 1490 C ARG A 100 15.748 13.791 17.571 1.00 0.00 C ATOM 1491 O ARG A 100 16.105 14.878 18.034 1.00 0.00 O ATOM 1492 CB ARG A 100 13.679 14.117 16.121 1.00 0.00 C ATOM 1493 CG ARG A 100 14.607 14.145 14.914 1.00 0.00 C ATOM 1494 CD ARG A 100 15.477 15.388 14.939 1.00 0.00 C ATOM 1495 NE ARG A 100 16.464 15.417 13.867 1.00 0.00 N ATOM 1496 CZ ARG A 100 16.917 16.538 13.311 1.00 0.00 C ATOM 1497 NH1 ARG A 100 16.351 17.702 13.609 1.00 0.00 N ATOM 1498 NH2 ARG A 100 17.913 16.489 12.437 1.00 0.00 N ATOM 0 H ARG A 100 13.167 14.852 18.499 1.00 0.00 H new ATOM 0 HA ARG A 100 14.187 12.385 17.270 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.769 13.583 15.847 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.388 15.140 16.359 1.00 0.00 H new ATOM 0 HG2 ARG A 100 15.236 13.254 14.911 1.00 0.00 H new ATOM 0 HG3 ARG A 100 14.020 14.124 13.996 1.00 0.00 H new ATOM 0 HD2 ARG A 100 14.842 16.270 14.864 1.00 0.00 H new ATOM 0 HD3 ARG A 100 15.990 15.446 15.899 1.00 0.00 H new ATOM 0 HE ARG A 100 16.828 14.528 13.524 1.00 0.00 H new ATOM 0 HH11 ARG A 100 15.570 17.736 14.264 1.00 0.00 H new ATOM 0 HH12 ARG A 100 16.698 18.562 13.183 1.00 0.00 H new ATOM 0 HH21 ARG A 100 18.332 15.592 12.191 1.00 0.00 H new ATOM 0 HH22 ARG A 100 18.260 17.348 12.011 1.00 0.00 H new ATOM 1512 N TYR A 101 16.604 12.839 17.228 1.00 0.00 N ATOM 1513 CA TYR A 101 18.041 13.026 17.366 1.00 0.00 C ATOM 1514 C TYR A 101 18.699 13.204 16.003 1.00 0.00 C ATOM 1515 O TYR A 101 19.248 14.264 15.706 1.00 0.00 O ATOM 1516 CB TYR A 101 18.671 11.837 18.099 1.00 0.00 C ATOM 1517 CG TYR A 101 18.166 11.648 19.513 1.00 0.00 C ATOM 1518 CD1 TYR A 101 18.712 12.368 20.569 1.00 0.00 C ATOM 1519 CD2 TYR A 101 17.149 10.745 19.794 1.00 0.00 C ATOM 1520 CE1 TYR A 101 18.259 12.192 21.863 1.00 0.00 C ATOM 1521 CE2 TYR A 101 16.691 10.566 21.085 1.00 0.00 C ATOM 1522 CZ TYR A 101 17.248 11.291 22.115 1.00 0.00 C ATOM 1523 OH TYR A 101 16.794 11.109 23.402 1.00 0.00 O ATOM 0 H TYR A 101 16.329 11.931 16.853 1.00 0.00 H new ATOM 0 HA TYR A 101 18.207 13.930 17.952 1.00 0.00 H new ATOM 0 HB2 TYR A 101 18.476 10.928 17.530 1.00 0.00 H new ATOM 0 HB3 TYR A 101 19.752 11.971 18.125 1.00 0.00 H new ATOM 0 HD1 TYR A 101 19.503 13.077 20.375 1.00 0.00 H new ATOM 0 HD2 TYR A 101 16.709 10.173 18.990 1.00 0.00 H new ATOM 0 HE1 TYR A 101 18.696 12.758 22.672 1.00 0.00 H new ATOM 0 HE2 TYR A 101 15.899 9.860 21.286 1.00 0.00 H new ATOM 0 HH TYR A 101 16.078 10.439 23.405 1.00 0.00 H new ATOM 1533 N VAL A 102 18.632 12.163 15.181 1.00 0.00 N ATOM 1534 CA VAL A 102 19.260 12.175 13.865 1.00 0.00 C ATOM 1535 C VAL A 102 18.630 13.226 12.952 1.00 0.00 C ATOM 1536 O VAL A 102 19.364 14.114 12.471 1.00 0.00 O ATOM 1537 CB VAL A 102 19.201 10.784 13.191 1.00 0.00 C ATOM 1538 CG1 VAL A 102 20.084 9.798 13.937 1.00 0.00 C ATOM 1539 CG2 VAL A 102 17.771 10.264 13.121 1.00 0.00 C ATOM 1540 OXT VAL A 102 17.401 13.189 12.751 1.00 0.00 O ATOM 0 H VAL A 102 18.146 11.295 15.405 1.00 0.00 H new ATOM 0 HA VAL A 102 20.307 12.436 14.020 1.00 0.00 H new ATOM 0 HB VAL A 102 19.571 10.889 12.171 1.00 0.00 H new ATOM 0 HG11 VAL A 102 20.032 8.824 13.451 1.00 0.00 H new ATOM 0 HG12 VAL A 102 21.114 10.154 13.928 1.00 0.00 H new ATOM 0 HG13 VAL A 102 19.740 9.708 14.967 1.00 0.00 H new ATOM 0 HG21 VAL A 102 17.763 9.285 12.642 1.00 0.00 H new ATOM 0 HG22 VAL A 102 17.365 10.178 14.129 1.00 0.00 H new ATOM 0 HG23 VAL A 102 17.160 10.956 12.542 1.00 0.00 H new TER 1550 VAL A 102 HETATM 1551 ZN ZN A 103 3.300 -11.063 6.996 1.00 0.00 ZN HETATM 1552 ZN ZN A 104 4.894 -6.647 20.506 1.00 0.00 ZN