USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=24 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 156:sc= 2.05 USER MOD Set 1.2: A 24 CYS SG : rot 76:sc= 1.41 USER MOD Set 1.3: A 45 CYS SG : rot -137:sc= 0.158 USER MOD Set 1.4: A 49 SER OG : rot 180:sc= -0.077 USER MOD Set 1.5: A 51 HIS : no HD1:sc= 0.691 K(o=4.2,f=-2.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 132:sc= 0.0284 (180deg=-0.356) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.153 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 -32:sc= 0.0829 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= -0.663 USER MOD Single : A 33 HIS : no HE2:sc= 0.165 K(o=0.17,f=-5!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= 0.623 K(o=0.62,f=-2.8!) USER MOD Single : A 46 CYS SG : rot 132:sc= -1.11! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HE2:sc= -0.048 K(o=-0.048,f=-0.92) USER MOD Single : A 55 THR OG1 : rot 160:sc= -0.296 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot -69:sc= 1.05 USER MOD Single : A 69 TYR OH : rot -99:sc= 0.266 USER MOD Single : A 79 TYR OH : rot 19:sc= -0.634 USER MOD Single : A 84 MET CE :methyl 160:sc= -0.329 (180deg=-1.14) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -143:sc= -0.213 (180deg=-1.67) USER MOD Single : A 92 THR OG1 : rot 77:sc= 1.26 USER MOD Single : A 94 HIS : no HD1:sc= -0.0872 X(o=-0.087,f=-0.58) USER MOD Single : A 95 ASN : amide:sc= -0.382 X(o=-0.38,f=-0.37) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.861 1.451 -1.293 1.00 0.00 N ATOM 2 CA MET A 1 4.254 0.330 -0.544 1.00 0.00 C ATOM 3 C MET A 1 3.987 -0.847 -1.469 1.00 0.00 C ATOM 4 O MET A 1 4.058 -0.715 -2.692 1.00 0.00 O ATOM 5 CB MET A 1 2.954 0.788 0.141 1.00 0.00 C ATOM 6 CG MET A 1 1.861 1.266 -0.807 1.00 0.00 C ATOM 7 SD MET A 1 0.924 -0.089 -1.542 1.00 0.00 S ATOM 8 CE MET A 1 -0.256 0.816 -2.537 1.00 0.00 C ATOM 0 H1 MET A 1 4.362 2.334 -1.062 1.00 0.00 H new ATOM 0 H2 MET A 1 5.863 1.541 -1.031 1.00 0.00 H new ATOM 0 H3 MET A 1 4.785 1.268 -2.314 1.00 0.00 H new ATOM 0 HA MET A 1 4.955 0.006 0.226 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.563 -0.038 0.735 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.191 1.595 0.835 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.178 1.921 -0.265 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.311 1.862 -1.601 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.909 0.114 -3.056 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.855 1.461 -1.894 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.276 1.425 -3.268 1.00 0.00 H new ATOM 20 N THR A 2 3.705 -1.998 -0.882 1.00 0.00 N ATOM 21 CA THR A 2 3.310 -3.168 -1.641 1.00 0.00 C ATOM 22 C THR A 2 2.010 -3.736 -1.066 1.00 0.00 C ATOM 23 O THR A 2 1.405 -3.130 -0.177 1.00 0.00 O ATOM 24 CB THR A 2 4.428 -4.241 -1.648 1.00 0.00 C ATOM 25 OG1 THR A 2 4.088 -5.318 -2.533 1.00 0.00 O ATOM 26 CG2 THR A 2 4.676 -4.790 -0.251 1.00 0.00 C ATOM 0 H THR A 2 3.743 -2.145 0.127 1.00 0.00 H new ATOM 0 HA THR A 2 3.143 -2.871 -2.676 1.00 0.00 H new ATOM 0 HB THR A 2 5.341 -3.760 -1.999 1.00 0.00 H new ATOM 0 HG1 THR A 2 4.805 -5.986 -2.527 1.00 0.00 H new ATOM 0 HG21 THR A 2 5.466 -5.540 -0.290 1.00 0.00 H new ATOM 0 HG22 THR A 2 4.979 -3.978 0.410 1.00 0.00 H new ATOM 0 HG23 THR A 2 3.761 -5.245 0.129 1.00 0.00 H new ATOM 34 N MET A 3 1.584 -4.884 -1.575 1.00 0.00 N ATOM 35 CA MET A 3 0.315 -5.483 -1.179 1.00 0.00 C ATOM 36 C MET A 3 0.349 -5.956 0.270 1.00 0.00 C ATOM 37 O MET A 3 1.301 -6.609 0.704 1.00 0.00 O ATOM 38 CB MET A 3 -0.028 -6.659 -2.097 1.00 0.00 C ATOM 39 CG MET A 3 -1.358 -7.321 -1.766 1.00 0.00 C ATOM 40 SD MET A 3 -1.736 -8.716 -2.845 1.00 0.00 S ATOM 41 CE MET A 3 -3.327 -9.222 -2.193 1.00 0.00 C ATOM 0 H MET A 3 2.103 -5.423 -2.268 1.00 0.00 H new ATOM 0 HA MET A 3 -0.454 -4.715 -1.270 1.00 0.00 H new ATOM 0 HB2 MET A 3 -0.053 -6.309 -3.129 1.00 0.00 H new ATOM 0 HB3 MET A 3 0.765 -7.404 -2.032 1.00 0.00 H new ATOM 0 HG2 MET A 3 -1.340 -7.663 -0.731 1.00 0.00 H new ATOM 0 HG3 MET A 3 -2.155 -6.582 -1.844 1.00 0.00 H new ATOM 0 HE1 MET A 3 -3.696 -10.078 -2.757 1.00 0.00 H new ATOM 0 HE2 MET A 3 -3.219 -9.498 -1.144 1.00 0.00 H new ATOM 0 HE3 MET A 3 -4.035 -8.398 -2.281 1.00 0.00 H new ATOM 51 N GLY A 4 -0.697 -5.615 1.010 1.00 0.00 N ATOM 52 CA GLY A 4 -0.831 -6.086 2.370 1.00 0.00 C ATOM 53 C GLY A 4 -1.018 -7.588 2.421 1.00 0.00 C ATOM 54 O GLY A 4 -1.759 -8.154 1.619 1.00 0.00 O ATOM 0 H GLY A 4 -1.458 -5.017 0.688 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.055 -5.809 2.941 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.682 -5.596 2.844 1.00 0.00 H new ATOM 58 N CYS A 5 -0.348 -8.237 3.357 1.00 0.00 N ATOM 59 CA CYS A 5 -0.396 -9.689 3.450 1.00 0.00 C ATOM 60 C CYS A 5 -1.445 -10.119 4.468 1.00 0.00 C ATOM 61 O CYS A 5 -1.904 -9.302 5.262 1.00 0.00 O ATOM 62 CB CYS A 5 0.980 -10.239 3.830 1.00 0.00 C ATOM 63 SG CYS A 5 1.574 -9.713 5.469 1.00 0.00 S ATOM 0 H CYS A 5 0.234 -7.785 4.062 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.674 -10.095 2.477 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.943 -11.328 3.803 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.703 -9.926 3.077 1.00 0.00 H new ATOM 68 N ARG A 6 -1.810 -11.400 4.450 1.00 0.00 N ATOM 69 CA ARG A 6 -2.852 -11.934 5.334 1.00 0.00 C ATOM 70 C ARG A 6 -2.557 -11.654 6.810 1.00 0.00 C ATOM 71 O ARG A 6 -3.472 -11.579 7.627 1.00 0.00 O ATOM 72 CB ARG A 6 -3.023 -13.439 5.104 1.00 0.00 C ATOM 73 CG ARG A 6 -1.739 -14.238 5.268 1.00 0.00 C ATOM 74 CD ARG A 6 -1.940 -15.700 4.905 1.00 0.00 C ATOM 75 NE ARG A 6 -0.686 -16.452 4.930 1.00 0.00 N ATOM 76 CZ ARG A 6 -0.510 -17.632 4.336 1.00 0.00 C ATOM 77 NH1 ARG A 6 -1.506 -18.205 3.670 1.00 0.00 N ATOM 78 NH2 ARG A 6 0.669 -18.235 4.409 1.00 0.00 N ATOM 0 H ARG A 6 -1.397 -12.095 3.828 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.782 -11.422 5.086 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.768 -13.821 5.802 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.414 -13.601 4.100 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.960 -13.810 4.637 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.392 -14.163 6.299 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.647 -16.152 5.601 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.383 -15.768 3.912 1.00 0.00 H new ATOM 0 HE ARG A 6 0.104 -16.048 5.434 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.413 -17.742 3.611 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -1.364 -19.108 3.218 1.00 0.00 H new ATOM 0 HH21 ARG A 6 1.436 -17.796 4.918 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.809 -19.138 3.956 1.00 0.00 H new ATOM 92 N HIS A 7 -1.279 -11.485 7.140 1.00 0.00 N ATOM 93 CA HIS A 7 -0.873 -11.148 8.504 1.00 0.00 C ATOM 94 C HIS A 7 -1.486 -9.819 8.955 1.00 0.00 C ATOM 95 O HIS A 7 -1.669 -9.585 10.148 1.00 0.00 O ATOM 96 CB HIS A 7 0.654 -11.072 8.614 1.00 0.00 C ATOM 97 CG HIS A 7 1.350 -12.384 8.429 1.00 0.00 C ATOM 98 ND1 HIS A 7 2.369 -12.536 7.523 1.00 0.00 N ATOM 99 CD2 HIS A 7 1.150 -13.559 9.071 1.00 0.00 C ATOM 100 CE1 HIS A 7 2.765 -13.791 7.631 1.00 0.00 C ATOM 101 NE2 HIS A 7 2.053 -14.454 8.558 1.00 0.00 N ATOM 0 H HIS A 7 -0.505 -11.576 6.482 1.00 0.00 H new ATOM 0 HA HIS A 7 -1.240 -11.940 9.157 1.00 0.00 H new ATOM 0 HB2 HIS A 7 1.026 -10.368 7.869 1.00 0.00 H new ATOM 0 HB3 HIS A 7 0.917 -10.669 9.592 1.00 0.00 H new ATOM 0 HD2 HIS A 7 0.418 -13.754 9.841 1.00 0.00 H new ATOM 0 HE1 HIS A 7 3.561 -14.230 7.048 1.00 0.00 H new ATOM 0 HE2 HIS A 7 2.163 -15.432 8.827 1.00 0.00 H new ATOM 109 N VAL A 8 -1.799 -8.952 7.993 1.00 0.00 N ATOM 110 CA VAL A 8 -2.379 -7.642 8.285 1.00 0.00 C ATOM 111 C VAL A 8 -3.763 -7.801 8.928 1.00 0.00 C ATOM 112 O VAL A 8 -4.211 -6.946 9.686 1.00 0.00 O ATOM 113 CB VAL A 8 -2.468 -6.753 7.015 1.00 0.00 C ATOM 114 CG1 VAL A 8 -3.758 -6.987 6.251 1.00 0.00 C ATOM 115 CG2 VAL A 8 -2.326 -5.285 7.371 1.00 0.00 C ATOM 0 H VAL A 8 -1.660 -9.135 6.999 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.717 -7.139 8.990 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.641 -7.038 6.365 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.780 -6.346 5.370 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.813 -8.031 5.942 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.608 -6.753 6.892 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.392 -4.683 6.465 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.124 -4.998 8.056 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.360 -5.118 7.848 1.00 0.00 H new ATOM 125 N ALA A 9 -4.437 -8.902 8.617 1.00 0.00 N ATOM 126 CA ALA A 9 -5.746 -9.183 9.194 1.00 0.00 C ATOM 127 C ALA A 9 -5.611 -9.691 10.630 1.00 0.00 C ATOM 128 O ALA A 9 -6.606 -9.991 11.291 1.00 0.00 O ATOM 129 CB ALA A 9 -6.493 -10.196 8.339 1.00 0.00 C ATOM 0 H ALA A 9 -4.099 -9.614 7.969 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.317 -8.255 9.215 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.469 -10.397 8.782 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.626 -9.796 7.334 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.920 -11.122 8.288 1.00 0.00 H new ATOM 135 N GLY A 10 -4.375 -9.788 11.107 1.00 0.00 N ATOM 136 CA GLY A 10 -4.130 -10.260 12.454 1.00 0.00 C ATOM 137 C GLY A 10 -3.631 -9.164 13.376 1.00 0.00 C ATOM 138 O GLY A 10 -3.378 -9.408 14.554 1.00 0.00 O ATOM 0 H GLY A 10 -3.535 -9.546 10.580 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.050 -10.680 12.860 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.397 -11.066 12.425 1.00 0.00 H new ATOM 142 N ILE A 11 -3.492 -7.954 12.847 1.00 0.00 N ATOM 143 CA ILE A 11 -3.029 -6.821 13.645 1.00 0.00 C ATOM 144 C ILE A 11 -4.209 -5.998 14.140 1.00 0.00 C ATOM 145 O ILE A 11 -5.266 -5.972 13.507 1.00 0.00 O ATOM 146 CB ILE A 11 -2.068 -5.909 12.851 1.00 0.00 C ATOM 147 CG1 ILE A 11 -2.766 -5.359 11.604 1.00 0.00 C ATOM 148 CG2 ILE A 11 -0.807 -6.674 12.479 1.00 0.00 C ATOM 149 CD1 ILE A 11 -1.875 -4.543 10.692 1.00 0.00 C ATOM 0 H ILE A 11 -3.692 -7.731 11.872 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.485 -7.233 14.495 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.782 -5.064 13.478 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.178 -6.193 11.036 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.607 -4.740 11.917 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.137 -6.021 11.920 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.308 -7.015 13.386 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.071 -7.535 11.865 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.452 -4.194 9.836 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.483 -3.685 11.239 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.047 -5.161 10.344 1.00 0.00 H new ATOM 161 N ARG A 12 -4.033 -5.331 15.270 1.00 0.00 N ATOM 162 CA ARG A 12 -5.105 -4.542 15.857 1.00 0.00 C ATOM 163 C ARG A 12 -4.626 -3.138 16.195 1.00 0.00 C ATOM 164 O ARG A 12 -3.427 -2.847 16.146 1.00 0.00 O ATOM 165 CB ARG A 12 -5.651 -5.228 17.114 1.00 0.00 C ATOM 166 CG ARG A 12 -4.601 -5.478 18.188 1.00 0.00 C ATOM 167 CD ARG A 12 -5.200 -6.185 19.395 1.00 0.00 C ATOM 168 NE ARG A 12 -5.912 -7.405 19.010 1.00 0.00 N ATOM 169 CZ ARG A 12 -6.017 -8.492 19.775 1.00 0.00 C ATOM 170 NH1 ARG A 12 -5.439 -8.537 20.968 1.00 0.00 N ATOM 171 NH2 ARG A 12 -6.703 -9.538 19.335 1.00 0.00 N ATOM 0 H ARG A 12 -3.160 -5.320 15.798 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.906 -4.465 15.121 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.447 -4.613 17.534 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.100 -6.180 16.830 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.792 -6.081 17.775 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.164 -4.529 18.500 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.408 -6.434 20.101 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.885 -5.511 19.909 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.359 -7.425 18.093 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.908 -7.735 21.308 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.525 -9.373 21.545 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.146 -9.508 18.417 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.788 -10.373 19.915 1.00 0.00 H new ATOM 185 N THR A 13 -5.571 -2.263 16.497 1.00 0.00 N ATOM 186 CA THR A 13 -5.259 -0.927 16.966 1.00 0.00 C ATOM 187 C THR A 13 -4.680 -0.997 18.373 1.00 0.00 C ATOM 188 O THR A 13 -5.349 -1.434 19.311 1.00 0.00 O ATOM 189 CB THR A 13 -6.512 -0.032 16.957 1.00 0.00 C ATOM 190 OG1 THR A 13 -7.114 -0.065 15.656 1.00 0.00 O ATOM 191 CG2 THR A 13 -6.166 1.404 17.326 1.00 0.00 C ATOM 0 H THR A 13 -6.569 -2.459 16.424 1.00 0.00 H new ATOM 0 HA THR A 13 -4.523 -0.489 16.292 1.00 0.00 H new ATOM 0 HB THR A 13 -7.212 -0.414 17.700 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.912 0.503 15.651 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.071 2.012 17.311 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.729 1.428 18.324 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.450 1.802 16.607 1.00 0.00 H new ATOM 199 N VAL A 14 -3.430 -0.594 18.511 1.00 0.00 N ATOM 200 CA VAL A 14 -2.737 -0.697 19.781 1.00 0.00 C ATOM 201 C VAL A 14 -2.446 0.675 20.365 1.00 0.00 C ATOM 202 O VAL A 14 -2.551 1.689 19.678 1.00 0.00 O ATOM 203 CB VAL A 14 -1.421 -1.485 19.637 1.00 0.00 C ATOM 204 CG1 VAL A 14 -1.707 -2.955 19.382 1.00 0.00 C ATOM 205 CG2 VAL A 14 -0.565 -0.904 18.518 1.00 0.00 C ATOM 0 H VAL A 14 -2.873 -0.192 17.757 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.398 -1.235 20.461 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.866 -1.398 20.571 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.766 -3.497 19.283 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.276 -3.365 20.217 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.284 -3.059 18.463 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.360 -1.475 18.433 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.112 -0.957 17.577 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.330 0.136 18.743 1.00 0.00 H new ATOM 215 N THR A 15 -2.085 0.695 21.634 1.00 0.00 N ATOM 216 CA THR A 15 -1.786 1.934 22.321 1.00 0.00 C ATOM 217 C THR A 15 -0.279 2.113 22.476 1.00 0.00 C ATOM 218 O THR A 15 0.404 1.244 23.026 1.00 0.00 O ATOM 219 CB THR A 15 -2.456 1.962 23.707 1.00 0.00 C ATOM 220 OG1 THR A 15 -3.851 1.656 23.568 1.00 0.00 O ATOM 221 CG2 THR A 15 -2.294 3.323 24.366 1.00 0.00 C ATOM 0 H THR A 15 -1.992 -0.140 22.212 1.00 0.00 H new ATOM 0 HA THR A 15 -2.180 2.754 21.721 1.00 0.00 H new ATOM 0 HB THR A 15 -1.973 1.217 24.340 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.279 1.672 24.450 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.777 3.314 25.343 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.234 3.545 24.487 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.755 4.087 23.741 1.00 0.00 H new ATOM 229 N PRO A 16 0.261 3.234 21.970 1.00 0.00 N ATOM 230 CA PRO A 16 1.681 3.552 22.089 1.00 0.00 C ATOM 231 C PRO A 16 2.057 3.910 23.522 1.00 0.00 C ATOM 232 O PRO A 16 1.803 5.025 23.983 1.00 0.00 O ATOM 233 CB PRO A 16 1.877 4.765 21.167 1.00 0.00 C ATOM 234 CG PRO A 16 0.603 4.906 20.400 1.00 0.00 C ATOM 235 CD PRO A 16 -0.469 4.279 21.243 1.00 0.00 C ATOM 0 HA PRO A 16 2.310 2.704 21.817 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.087 5.665 21.745 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.722 4.613 20.496 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.381 5.955 20.206 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.675 4.411 19.432 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.925 5.001 21.921 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.272 3.863 20.634 1.00 0.00 H new ATOM 243 N SER A 17 2.649 2.952 24.221 1.00 0.00 N ATOM 244 CA SER A 17 3.017 3.132 25.619 1.00 0.00 C ATOM 245 C SER A 17 4.204 4.086 25.758 1.00 0.00 C ATOM 246 O SER A 17 4.484 4.588 26.848 1.00 0.00 O ATOM 247 CB SER A 17 3.344 1.772 26.242 1.00 0.00 C ATOM 248 OG SER A 17 3.636 1.884 27.626 1.00 0.00 O ATOM 0 H SER A 17 2.886 2.036 23.840 1.00 0.00 H new ATOM 0 HA SER A 17 2.173 3.576 26.148 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.501 1.096 26.102 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.196 1.331 25.725 1.00 0.00 H new ATOM 0 HG SER A 17 4.057 2.751 27.802 1.00 0.00 H new ATOM 254 N ALA A 18 4.890 4.339 24.652 1.00 0.00 N ATOM 255 CA ALA A 18 6.044 5.221 24.654 1.00 0.00 C ATOM 256 C ALA A 18 6.032 6.121 23.427 1.00 0.00 C ATOM 257 O ALA A 18 5.284 5.878 22.475 1.00 0.00 O ATOM 258 CB ALA A 18 7.331 4.411 24.706 1.00 0.00 C ATOM 0 H ALA A 18 4.664 3.943 23.739 1.00 0.00 H new ATOM 0 HA ALA A 18 5.994 5.851 25.542 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.186 5.087 24.707 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.345 3.807 25.613 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.385 3.758 23.835 1.00 0.00 H new ATOM 264 N LEU A 19 6.846 7.164 23.466 1.00 0.00 N ATOM 265 CA LEU A 19 6.984 8.072 22.338 1.00 0.00 C ATOM 266 C LEU A 19 8.259 7.741 21.578 1.00 0.00 C ATOM 267 O LEU A 19 8.230 7.423 20.392 1.00 0.00 O ATOM 268 CB LEU A 19 7.023 9.524 22.821 1.00 0.00 C ATOM 269 CG LEU A 19 5.875 9.932 23.747 1.00 0.00 C ATOM 270 CD1 LEU A 19 5.991 11.400 24.122 1.00 0.00 C ATOM 271 CD2 LEU A 19 4.532 9.648 23.091 1.00 0.00 C ATOM 0 H LEU A 19 7.424 7.404 24.271 1.00 0.00 H new ATOM 0 HA LEU A 19 6.125 7.953 21.678 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.966 9.692 23.341 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.018 10.180 21.951 1.00 0.00 H new ATOM 0 HG LEU A 19 5.940 9.339 24.659 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.167 11.673 24.781 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.938 11.571 24.635 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.952 12.010 23.220 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.728 9.945 23.765 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.454 10.213 22.162 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.450 8.583 22.876 1.00 0.00 H new ATOM 283 N GLY A 20 9.378 7.815 22.282 1.00 0.00 N ATOM 284 CA GLY A 20 10.641 7.411 21.711 1.00 0.00 C ATOM 285 C GLY A 20 10.967 5.976 22.058 1.00 0.00 C ATOM 286 O GLY A 20 10.095 5.233 22.511 1.00 0.00 O ATOM 0 H GLY A 20 9.431 8.150 23.244 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.606 7.527 20.628 1.00 0.00 H new ATOM 0 HA3 GLY A 20 11.433 8.065 22.076 1.00 0.00 H new ATOM 290 N CYS A 21 12.212 5.576 21.852 1.00 0.00 N ATOM 291 CA CYS A 21 12.636 4.236 22.219 1.00 0.00 C ATOM 292 C CYS A 21 12.742 4.135 23.735 1.00 0.00 C ATOM 293 O CYS A 21 13.700 4.625 24.334 1.00 0.00 O ATOM 294 CB CYS A 21 13.973 3.887 21.564 1.00 0.00 C ATOM 295 SG CYS A 21 14.508 2.180 21.836 1.00 0.00 S ATOM 0 H CYS A 21 12.941 6.156 21.436 1.00 0.00 H new ATOM 0 HA CYS A 21 11.894 3.522 21.861 1.00 0.00 H new ATOM 0 HB2 CYS A 21 13.897 4.066 20.491 1.00 0.00 H new ATOM 0 HB3 CYS A 21 14.739 4.561 21.946 1.00 0.00 H new ATOM 0 HG CYS A 21 15.312 1.820 20.880 1.00 0.00 H new ATOM 301 N GLU A 22 11.740 3.507 24.336 1.00 0.00 N ATOM 302 CA GLU A 22 11.612 3.417 25.788 1.00 0.00 C ATOM 303 C GLU A 22 12.876 2.863 26.444 1.00 0.00 C ATOM 304 O GLU A 22 13.303 3.348 27.494 1.00 0.00 O ATOM 305 CB GLU A 22 10.395 2.552 26.162 1.00 0.00 C ATOM 306 CG GLU A 22 10.513 1.073 25.790 1.00 0.00 C ATOM 307 CD GLU A 22 10.662 0.832 24.298 1.00 0.00 C ATOM 308 OE1 GLU A 22 9.641 0.875 23.585 1.00 0.00 O ATOM 309 OE2 GLU A 22 11.807 0.596 23.841 1.00 0.00 O ATOM 0 H GLU A 22 10.987 3.042 23.828 1.00 0.00 H new ATOM 0 HA GLU A 22 11.466 4.429 26.166 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.231 2.629 27.237 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.512 2.964 25.674 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.372 0.644 26.306 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.629 0.545 26.149 1.00 0.00 H new ATOM 316 N GLU A 23 13.480 1.863 25.816 1.00 0.00 N ATOM 317 CA GLU A 23 14.655 1.220 26.377 1.00 0.00 C ATOM 318 C GLU A 23 15.881 2.120 26.241 1.00 0.00 C ATOM 319 O GLU A 23 16.723 2.172 27.129 1.00 0.00 O ATOM 320 CB GLU A 23 14.886 -0.130 25.703 1.00 0.00 C ATOM 321 CG GLU A 23 15.854 -1.029 26.451 1.00 0.00 C ATOM 322 CD GLU A 23 15.841 -2.445 25.920 1.00 0.00 C ATOM 323 OE1 GLU A 23 16.548 -2.712 24.929 1.00 0.00 O ATOM 324 OE2 GLU A 23 15.108 -3.288 26.485 1.00 0.00 O ATOM 0 H GLU A 23 13.175 1.482 24.920 1.00 0.00 H new ATOM 0 HA GLU A 23 14.487 1.049 27.440 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.930 -0.644 25.603 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.265 0.038 24.695 1.00 0.00 H new ATOM 0 HG2 GLU A 23 16.862 -0.622 26.371 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.596 -1.037 27.510 1.00 0.00 H new ATOM 331 N CYS A 24 15.972 2.853 25.144 1.00 0.00 N ATOM 332 CA CYS A 24 17.067 3.799 24.973 1.00 0.00 C ATOM 333 C CYS A 24 16.924 4.957 25.958 1.00 0.00 C ATOM 334 O CYS A 24 17.913 5.535 26.403 1.00 0.00 O ATOM 335 CB CYS A 24 17.125 4.320 23.537 1.00 0.00 C ATOM 336 SG CYS A 24 17.604 3.069 22.320 1.00 0.00 S ATOM 0 H CYS A 24 15.312 2.815 24.367 1.00 0.00 H new ATOM 0 HA CYS A 24 18.002 3.278 25.178 1.00 0.00 H new ATOM 0 HB2 CYS A 24 16.148 4.720 23.267 1.00 0.00 H new ATOM 0 HB3 CYS A 24 17.832 5.148 23.490 1.00 0.00 H new ATOM 0 HG CYS A 24 16.601 2.272 22.099 1.00 0.00 H new ATOM 342 N LEU A 25 15.687 5.272 26.314 1.00 0.00 N ATOM 343 CA LEU A 25 15.410 6.350 27.253 1.00 0.00 C ATOM 344 C LEU A 25 15.907 6.016 28.658 1.00 0.00 C ATOM 345 O LEU A 25 16.235 6.915 29.429 1.00 0.00 O ATOM 346 CB LEU A 25 13.912 6.654 27.289 1.00 0.00 C ATOM 347 CG LEU A 25 13.344 7.261 26.005 1.00 0.00 C ATOM 348 CD1 LEU A 25 11.833 7.405 26.106 1.00 0.00 C ATOM 349 CD2 LEU A 25 13.988 8.612 25.727 1.00 0.00 C ATOM 0 H LEU A 25 14.856 4.794 25.965 1.00 0.00 H new ATOM 0 HA LEU A 25 15.949 7.232 26.906 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.374 5.731 27.505 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.715 7.338 28.114 1.00 0.00 H new ATOM 0 HG LEU A 25 13.572 6.590 25.176 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.446 7.838 25.184 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.384 6.424 26.262 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.585 8.056 26.945 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.573 9.031 24.810 1.00 0.00 H new ATOM 0 HD22 LEU A 25 13.788 9.288 26.558 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.065 8.485 25.614 1.00 0.00 H new ATOM 361 N LYS A 26 15.997 4.727 28.986 1.00 0.00 N ATOM 362 CA LYS A 26 16.399 4.323 30.333 1.00 0.00 C ATOM 363 C LYS A 26 17.907 4.493 30.508 1.00 0.00 C ATOM 364 O LYS A 26 18.422 4.496 31.628 1.00 0.00 O ATOM 365 CB LYS A 26 15.981 2.873 30.621 1.00 0.00 C ATOM 366 CG LYS A 26 16.882 1.827 29.983 1.00 0.00 C ATOM 367 CD LYS A 26 16.210 0.463 29.912 1.00 0.00 C ATOM 368 CE LYS A 26 15.934 -0.114 31.289 1.00 0.00 C ATOM 369 NZ LYS A 26 15.223 -1.418 31.206 1.00 0.00 N ATOM 0 H LYS A 26 15.800 3.955 28.349 1.00 0.00 H new ATOM 0 HA LYS A 26 15.889 4.967 31.050 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.969 2.717 31.700 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.961 2.723 30.266 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.156 2.149 28.978 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.806 1.747 30.555 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.273 0.550 29.362 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.845 -0.224 29.353 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.875 -0.246 31.824 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.335 0.591 31.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.052 -1.782 32.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.314 -1.287 30.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.806 -2.098 30.677 1.00 0.00 H new ATOM 383 N ILE A 27 18.610 4.640 29.390 1.00 0.00 N ATOM 384 CA ILE A 27 20.049 4.854 29.415 1.00 0.00 C ATOM 385 C ILE A 27 20.402 6.221 28.836 1.00 0.00 C ATOM 386 O ILE A 27 21.576 6.550 28.668 1.00 0.00 O ATOM 387 CB ILE A 27 20.809 3.750 28.644 1.00 0.00 C ATOM 388 CG1 ILE A 27 20.309 3.649 27.200 1.00 0.00 C ATOM 389 CG2 ILE A 27 20.665 2.414 29.358 1.00 0.00 C ATOM 390 CD1 ILE A 27 20.977 2.553 26.397 1.00 0.00 C ATOM 0 H ILE A 27 18.204 4.614 28.455 1.00 0.00 H new ATOM 0 HA ILE A 27 20.359 4.813 30.459 1.00 0.00 H new ATOM 0 HB ILE A 27 21.866 4.016 28.615 1.00 0.00 H new ATOM 0 HG12 ILE A 27 19.233 3.475 27.209 1.00 0.00 H new ATOM 0 HG13 ILE A 27 20.473 4.604 26.701 1.00 0.00 H new ATOM 0 HG21 ILE A 27 21.205 1.646 28.805 1.00 0.00 H new ATOM 0 HG22 ILE A 27 21.076 2.493 30.364 1.00 0.00 H new ATOM 0 HG23 ILE A 27 19.610 2.145 29.417 1.00 0.00 H new ATOM 0 HD11 ILE A 27 20.571 2.544 25.386 1.00 0.00 H new ATOM 0 HD12 ILE A 27 22.051 2.736 26.355 1.00 0.00 H new ATOM 0 HD13 ILE A 27 20.791 1.589 26.871 1.00 0.00 H new ATOM 402 N GLY A 28 19.373 7.017 28.546 1.00 0.00 N ATOM 403 CA GLY A 28 19.583 8.350 28.007 1.00 0.00 C ATOM 404 C GLY A 28 20.259 8.327 26.651 1.00 0.00 C ATOM 405 O GLY A 28 21.246 9.027 26.427 1.00 0.00 O ATOM 0 H GLY A 28 18.395 6.760 28.676 1.00 0.00 H new ATOM 0 HA2 GLY A 28 18.623 8.860 27.922 1.00 0.00 H new ATOM 0 HA3 GLY A 28 20.191 8.928 28.703 1.00 0.00 H new ATOM 409 N SER A 29 19.736 7.514 25.751 1.00 0.00 N ATOM 410 CA SER A 29 20.306 7.377 24.423 1.00 0.00 C ATOM 411 C SER A 29 19.267 7.693 23.350 1.00 0.00 C ATOM 412 O SER A 29 18.070 7.476 23.553 1.00 0.00 O ATOM 413 CB SER A 29 20.844 5.959 24.245 1.00 0.00 C ATOM 414 OG SER A 29 21.850 5.677 25.205 1.00 0.00 O ATOM 0 H SER A 29 18.913 6.935 25.917 1.00 0.00 H new ATOM 0 HA SER A 29 21.124 8.089 24.315 1.00 0.00 H new ATOM 0 HB2 SER A 29 20.030 5.241 24.344 1.00 0.00 H new ATOM 0 HB3 SER A 29 21.251 5.843 23.240 1.00 0.00 H new ATOM 0 HG SER A 29 22.180 4.763 25.075 1.00 0.00 H new ATOM 420 N PRO A 30 19.716 8.218 22.197 1.00 0.00 N ATOM 421 CA PRO A 30 18.834 8.569 21.087 1.00 0.00 C ATOM 422 C PRO A 30 18.477 7.361 20.219 1.00 0.00 C ATOM 423 O PRO A 30 18.615 6.211 20.644 1.00 0.00 O ATOM 424 CB PRO A 30 19.671 9.572 20.298 1.00 0.00 C ATOM 425 CG PRO A 30 21.076 9.134 20.512 1.00 0.00 C ATOM 426 CD PRO A 30 21.128 8.520 21.889 1.00 0.00 C ATOM 0 HA PRO A 30 17.874 8.958 21.426 1.00 0.00 H new ATOM 0 HB2 PRO A 30 19.409 9.562 19.240 1.00 0.00 H new ATOM 0 HB3 PRO A 30 19.513 10.589 20.656 1.00 0.00 H new ATOM 0 HG2 PRO A 30 21.377 8.411 19.753 1.00 0.00 H new ATOM 0 HG3 PRO A 30 21.761 9.978 20.438 1.00 0.00 H new ATOM 0 HD2 PRO A 30 21.741 7.619 21.902 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.557 9.208 22.617 1.00 0.00 H new ATOM 434 N TRP A 31 18.025 7.629 19.002 1.00 0.00 N ATOM 435 CA TRP A 31 17.576 6.582 18.097 1.00 0.00 C ATOM 436 C TRP A 31 17.665 7.051 16.650 1.00 0.00 C ATOM 437 O TRP A 31 17.787 8.248 16.386 1.00 0.00 O ATOM 438 CB TRP A 31 16.134 6.187 18.430 1.00 0.00 C ATOM 439 CG TRP A 31 15.219 7.367 18.593 1.00 0.00 C ATOM 440 CD1 TRP A 31 14.636 8.100 17.599 1.00 0.00 C ATOM 441 CD2 TRP A 31 14.791 7.953 19.828 1.00 0.00 C ATOM 442 NE1 TRP A 31 13.874 9.106 18.141 1.00 0.00 N ATOM 443 CE2 TRP A 31 13.952 9.036 19.507 1.00 0.00 C ATOM 444 CE3 TRP A 31 15.037 7.667 21.173 1.00 0.00 C ATOM 445 CZ2 TRP A 31 13.359 9.832 20.483 1.00 0.00 C ATOM 446 CZ3 TRP A 31 14.447 8.457 22.140 1.00 0.00 C ATOM 447 CH2 TRP A 31 13.616 9.528 21.791 1.00 0.00 C ATOM 0 H TRP A 31 17.960 8.571 18.617 1.00 0.00 H new ATOM 0 HA TRP A 31 18.224 5.714 18.221 1.00 0.00 H new ATOM 0 HB2 TRP A 31 15.749 5.543 17.639 1.00 0.00 H new ATOM 0 HB3 TRP A 31 16.128 5.601 19.349 1.00 0.00 H new ATOM 0 HD1 TRP A 31 14.756 7.916 16.542 1.00 0.00 H new ATOM 0 HE1 TRP A 31 13.337 9.794 17.612 1.00 0.00 H new ATOM 0 HE3 TRP A 31 15.677 6.843 21.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 12.719 10.660 20.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 14.630 8.245 23.183 1.00 0.00 H new ATOM 0 HH2 TRP A 31 13.169 10.126 22.571 1.00 0.00 H new ATOM 458 N VAL A 32 17.608 6.106 15.719 1.00 0.00 N ATOM 459 CA VAL A 32 17.596 6.435 14.301 1.00 0.00 C ATOM 460 C VAL A 32 16.158 6.579 13.813 1.00 0.00 C ATOM 461 O VAL A 32 15.720 7.666 13.459 1.00 0.00 O ATOM 462 CB VAL A 32 18.330 5.369 13.458 1.00 0.00 C ATOM 463 CG1 VAL A 32 18.357 5.765 11.988 1.00 0.00 C ATOM 464 CG2 VAL A 32 19.744 5.159 13.978 1.00 0.00 C ATOM 0 H VAL A 32 17.569 5.107 15.921 1.00 0.00 H new ATOM 0 HA VAL A 32 18.124 7.380 14.176 1.00 0.00 H new ATOM 0 HB VAL A 32 17.784 4.430 13.548 1.00 0.00 H new ATOM 0 HG11 VAL A 32 18.879 4.999 11.414 1.00 0.00 H new ATOM 0 HG12 VAL A 32 17.336 5.862 11.619 1.00 0.00 H new ATOM 0 HG13 VAL A 32 18.875 6.717 11.877 1.00 0.00 H new ATOM 0 HG21 VAL A 32 20.246 4.405 13.372 1.00 0.00 H new ATOM 0 HG22 VAL A 32 20.296 6.097 13.920 1.00 0.00 H new ATOM 0 HG23 VAL A 32 19.705 4.824 15.015 1.00 0.00 H new ATOM 474 N HIS A 33 15.421 5.480 13.799 1.00 0.00 N ATOM 475 CA HIS A 33 14.008 5.522 13.453 1.00 0.00 C ATOM 476 C HIS A 33 13.206 4.676 14.427 1.00 0.00 C ATOM 477 O HIS A 33 13.715 3.698 14.982 1.00 0.00 O ATOM 478 CB HIS A 33 13.765 5.055 12.015 1.00 0.00 C ATOM 479 CG HIS A 33 14.237 6.028 10.977 1.00 0.00 C ATOM 480 ND1 HIS A 33 13.614 7.234 10.739 1.00 0.00 N ATOM 481 CD2 HIS A 33 15.283 5.973 10.120 1.00 0.00 C ATOM 482 CE1 HIS A 33 14.255 7.874 9.782 1.00 0.00 C ATOM 483 NE2 HIS A 33 15.274 7.135 9.388 1.00 0.00 N ATOM 0 H HIS A 33 15.776 4.550 14.022 1.00 0.00 H new ATOM 0 HA HIS A 33 13.677 6.558 13.523 1.00 0.00 H new ATOM 0 HB2 HIS A 33 14.270 4.101 11.862 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.699 4.877 11.875 1.00 0.00 H new ATOM 0 HD1 HIS A 33 12.787 7.577 11.227 1.00 0.00 H new ATOM 0 HD2 HIS A 33 15.993 5.165 10.029 1.00 0.00 H new ATOM 0 HE1 HIS A 33 13.990 8.843 9.386 1.00 0.00 H new ATOM 492 N LEU A 34 11.959 5.060 14.636 1.00 0.00 N ATOM 493 CA LEU A 34 11.106 4.398 15.606 1.00 0.00 C ATOM 494 C LEU A 34 9.965 3.665 14.926 1.00 0.00 C ATOM 495 O LEU A 34 9.406 4.135 13.931 1.00 0.00 O ATOM 496 CB LEU A 34 10.548 5.417 16.593 1.00 0.00 C ATOM 497 CG LEU A 34 11.596 6.112 17.455 1.00 0.00 C ATOM 498 CD1 LEU A 34 10.956 7.220 18.266 1.00 0.00 C ATOM 499 CD2 LEU A 34 12.281 5.108 18.369 1.00 0.00 C ATOM 0 H LEU A 34 11.512 5.833 14.143 1.00 0.00 H new ATOM 0 HA LEU A 34 11.711 3.666 16.141 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.994 6.174 16.038 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.834 4.916 17.247 1.00 0.00 H new ATOM 0 HG LEU A 34 12.350 6.552 16.802 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.715 7.708 18.877 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.507 7.950 17.593 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.185 6.799 18.912 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.026 5.620 18.978 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.540 4.642 19.018 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.769 4.341 17.767 1.00 0.00 H new ATOM 511 N ARG A 35 9.626 2.515 15.478 1.00 0.00 N ATOM 512 CA ARG A 35 8.546 1.698 14.957 1.00 0.00 C ATOM 513 C ARG A 35 7.656 1.201 16.089 1.00 0.00 C ATOM 514 O ARG A 35 8.142 0.811 17.153 1.00 0.00 O ATOM 515 CB ARG A 35 9.107 0.520 14.138 1.00 0.00 C ATOM 516 CG ARG A 35 10.445 -0.017 14.641 1.00 0.00 C ATOM 517 CD ARG A 35 10.322 -0.734 15.978 1.00 0.00 C ATOM 518 NE ARG A 35 9.971 -2.145 15.833 1.00 0.00 N ATOM 519 CZ ARG A 35 9.785 -2.969 16.864 1.00 0.00 C ATOM 520 NH1 ARG A 35 9.744 -2.485 18.104 1.00 0.00 N ATOM 521 NH2 ARG A 35 9.628 -4.271 16.649 1.00 0.00 N ATOM 0 H ARG A 35 10.090 2.122 16.297 1.00 0.00 H new ATOM 0 HA ARG A 35 7.937 2.312 14.294 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.378 -0.291 14.144 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.223 0.836 13.101 1.00 0.00 H new ATOM 0 HG2 ARG A 35 10.858 -0.703 13.902 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.150 0.808 14.739 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.266 -0.653 16.517 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.565 -0.236 16.584 1.00 0.00 H new ATOM 0 HE ARG A 35 9.862 -2.520 14.891 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.855 -1.484 18.265 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.602 -3.115 18.893 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.650 -4.637 15.697 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.485 -4.904 17.436 1.00 0.00 H new ATOM 535 N ILE A 36 6.357 1.240 15.868 1.00 0.00 N ATOM 536 CA ILE A 36 5.411 0.715 16.832 1.00 0.00 C ATOM 537 C ILE A 36 5.019 -0.696 16.419 1.00 0.00 C ATOM 538 O ILE A 36 5.160 -1.078 15.263 1.00 0.00 O ATOM 539 CB ILE A 36 4.161 1.620 16.970 1.00 0.00 C ATOM 540 CG1 ILE A 36 3.288 1.158 18.143 1.00 0.00 C ATOM 541 CG2 ILE A 36 3.358 1.641 15.677 1.00 0.00 C ATOM 542 CD1 ILE A 36 2.113 2.066 18.427 1.00 0.00 C ATOM 0 H ILE A 36 5.932 1.631 15.027 1.00 0.00 H new ATOM 0 HA ILE A 36 5.887 0.693 17.812 1.00 0.00 H new ATOM 0 HB ILE A 36 4.499 2.636 17.172 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.917 0.155 17.934 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.906 1.089 19.038 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.486 2.283 15.801 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.980 2.025 14.869 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.032 0.630 15.435 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.544 1.672 19.269 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.475 3.065 18.669 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.471 2.116 17.548 1.00 0.00 H new ATOM 554 N CYS A 37 4.568 -1.475 17.370 1.00 0.00 N ATOM 555 CA CYS A 37 4.270 -2.872 17.133 1.00 0.00 C ATOM 556 C CYS A 37 2.769 -3.109 17.247 1.00 0.00 C ATOM 557 O CYS A 37 2.214 -3.067 18.346 1.00 0.00 O ATOM 558 CB CYS A 37 5.050 -3.686 18.156 1.00 0.00 C ATOM 559 SG CYS A 37 4.901 -5.487 18.039 1.00 0.00 S ATOM 0 H CYS A 37 4.397 -1.165 18.326 1.00 0.00 H new ATOM 0 HA CYS A 37 4.564 -3.175 16.128 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.104 -3.424 18.068 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.728 -3.381 19.152 1.00 0.00 H new ATOM 564 N ARG A 38 2.123 -3.371 16.108 1.00 0.00 N ATOM 565 CA ARG A 38 0.655 -3.418 16.017 1.00 0.00 C ATOM 566 C ARG A 38 0.042 -4.613 16.750 1.00 0.00 C ATOM 567 O ARG A 38 -1.156 -4.865 16.632 1.00 0.00 O ATOM 568 CB ARG A 38 0.214 -3.461 14.551 1.00 0.00 C ATOM 569 CG ARG A 38 0.518 -2.194 13.766 1.00 0.00 C ATOM 570 CD ARG A 38 -0.205 -0.983 14.338 1.00 0.00 C ATOM 571 NE ARG A 38 -1.651 -1.194 14.453 1.00 0.00 N ATOM 572 CZ ARG A 38 -2.563 -0.417 13.867 1.00 0.00 C ATOM 573 NH1 ARG A 38 -2.192 0.541 13.033 1.00 0.00 N ATOM 574 NH2 ARG A 38 -3.855 -0.619 14.094 1.00 0.00 N ATOM 0 H ARG A 38 2.597 -3.556 15.224 1.00 0.00 H new ATOM 0 HA ARG A 38 0.294 -2.511 16.503 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.703 -4.303 14.062 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.859 -3.649 14.512 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.593 -2.012 13.773 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.225 -2.333 12.725 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.204 -0.751 15.321 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.017 -0.118 13.702 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.979 -1.981 15.014 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.203 0.689 12.834 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.895 1.131 12.589 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.152 -1.370 14.718 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.551 -0.024 13.645 1.00 0.00 H new ATOM 588 N THR A 39 0.844 -5.340 17.505 1.00 0.00 N ATOM 589 CA THR A 39 0.340 -6.492 18.231 1.00 0.00 C ATOM 590 C THR A 39 0.251 -6.212 19.730 1.00 0.00 C ATOM 591 O THR A 39 -0.586 -6.779 20.426 1.00 0.00 O ATOM 592 CB THR A 39 1.235 -7.720 17.994 1.00 0.00 C ATOM 593 OG1 THR A 39 1.525 -7.830 16.596 1.00 0.00 O ATOM 594 CG2 THR A 39 0.555 -8.994 18.475 1.00 0.00 C ATOM 0 H THR A 39 1.839 -5.156 17.632 1.00 0.00 H new ATOM 0 HA THR A 39 -0.662 -6.697 17.854 1.00 0.00 H new ATOM 0 HB THR A 39 2.158 -7.591 18.559 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.097 -8.611 16.441 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.210 -9.846 18.295 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.347 -8.915 19.542 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.380 -9.134 17.933 1.00 0.00 H new ATOM 602 N CYS A 40 1.098 -5.320 20.226 1.00 0.00 N ATOM 603 CA CYS A 40 1.182 -5.101 21.668 1.00 0.00 C ATOM 604 C CYS A 40 1.396 -3.622 22.013 1.00 0.00 C ATOM 605 O CYS A 40 1.435 -3.253 23.184 1.00 0.00 O ATOM 606 CB CYS A 40 2.322 -5.940 22.243 1.00 0.00 C ATOM 607 SG CYS A 40 3.965 -5.350 21.742 1.00 0.00 S ATOM 0 H CYS A 40 1.727 -4.745 19.666 1.00 0.00 H new ATOM 0 HA CYS A 40 0.233 -5.405 22.110 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.257 -5.934 23.331 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.201 -6.975 21.922 1.00 0.00 H new ATOM 612 N GLY A 41 1.548 -2.775 20.996 1.00 0.00 N ATOM 613 CA GLY A 41 1.712 -1.349 21.231 1.00 0.00 C ATOM 614 C GLY A 41 3.068 -0.979 21.809 1.00 0.00 C ATOM 615 O GLY A 41 3.218 0.078 22.418 1.00 0.00 O ATOM 0 H GLY A 41 1.560 -3.051 20.014 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.569 -0.816 20.291 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.931 -1.009 21.912 1.00 0.00 H new ATOM 619 N HIS A 42 4.062 -1.839 21.620 1.00 0.00 N ATOM 620 CA HIS A 42 5.399 -1.560 22.133 1.00 0.00 C ATOM 621 C HIS A 42 6.231 -0.903 21.044 1.00 0.00 C ATOM 622 O HIS A 42 6.223 -1.354 19.895 1.00 0.00 O ATOM 623 CB HIS A 42 6.085 -2.844 22.605 1.00 0.00 C ATOM 624 CG HIS A 42 7.123 -2.635 23.672 1.00 0.00 C ATOM 625 ND1 HIS A 42 8.348 -2.034 23.447 1.00 0.00 N ATOM 626 CD2 HIS A 42 7.112 -2.971 24.985 1.00 0.00 C ATOM 627 CE1 HIS A 42 9.040 -2.021 24.573 1.00 0.00 C ATOM 628 NE2 HIS A 42 8.311 -2.580 25.516 1.00 0.00 N ATOM 0 H HIS A 42 3.971 -2.724 21.122 1.00 0.00 H new ATOM 0 HA HIS A 42 5.310 -0.888 22.987 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.326 -3.530 22.982 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.554 -3.327 21.748 1.00 0.00 H new ATOM 0 HD1 HIS A 42 8.667 -1.660 22.553 1.00 0.00 H new ATOM 0 HD2 HIS A 42 6.306 -3.457 25.514 1.00 0.00 H new ATOM 0 HE1 HIS A 42 10.035 -1.620 24.698 1.00 0.00 H new ATOM 637 N VAL A 43 6.936 0.155 21.403 1.00 0.00 N ATOM 638 CA VAL A 43 7.761 0.890 20.456 1.00 0.00 C ATOM 639 C VAL A 43 9.183 0.314 20.476 1.00 0.00 C ATOM 640 O VAL A 43 9.432 -0.699 21.142 1.00 0.00 O ATOM 641 CB VAL A 43 7.767 2.406 20.810 1.00 0.00 C ATOM 642 CG1 VAL A 43 8.225 3.265 19.637 1.00 0.00 C ATOM 643 CG2 VAL A 43 6.387 2.851 21.279 1.00 0.00 C ATOM 0 H VAL A 43 6.954 0.528 22.352 1.00 0.00 H new ATOM 0 HA VAL A 43 7.351 0.785 19.452 1.00 0.00 H new ATOM 0 HB VAL A 43 8.483 2.545 21.620 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.214 4.315 19.929 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.237 2.979 19.350 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.552 3.116 18.792 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.410 3.913 21.522 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.659 2.676 20.486 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.103 2.282 22.164 1.00 0.00 H new ATOM 653 N GLY A 44 10.083 0.896 19.699 1.00 0.00 N ATOM 654 CA GLY A 44 11.478 0.521 19.755 1.00 0.00 C ATOM 655 C GLY A 44 12.256 1.131 18.613 1.00 0.00 C ATOM 656 O GLY A 44 11.674 1.470 17.580 1.00 0.00 O ATOM 0 H GLY A 44 9.868 1.629 19.024 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.906 0.845 20.704 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.567 -0.565 19.719 1.00 0.00 H new ATOM 660 N CYS A 45 13.557 1.295 18.795 1.00 0.00 N ATOM 661 CA CYS A 45 14.408 1.796 17.730 1.00 0.00 C ATOM 662 C CYS A 45 14.704 0.681 16.737 1.00 0.00 C ATOM 663 O CYS A 45 14.920 -0.468 17.133 1.00 0.00 O ATOM 664 CB CYS A 45 15.710 2.366 18.300 1.00 0.00 C ATOM 665 SG CYS A 45 16.688 1.185 19.262 1.00 0.00 S ATOM 0 H CYS A 45 14.044 1.089 19.667 1.00 0.00 H new ATOM 0 HA CYS A 45 13.885 2.600 17.213 1.00 0.00 H new ATOM 0 HB2 CYS A 45 16.320 2.738 17.477 1.00 0.00 H new ATOM 0 HB3 CYS A 45 15.471 3.221 18.932 1.00 0.00 H new ATOM 0 HG CYS A 45 17.143 1.768 20.331 1.00 0.00 H new ATOM 671 N CYS A 46 14.695 1.021 15.454 1.00 0.00 N ATOM 672 CA CYS A 46 14.949 0.051 14.395 1.00 0.00 C ATOM 673 C CYS A 46 16.373 -0.501 14.487 1.00 0.00 C ATOM 674 O CYS A 46 17.193 -0.004 15.265 1.00 0.00 O ATOM 675 CB CYS A 46 14.717 0.702 13.032 1.00 0.00 C ATOM 676 SG CYS A 46 15.693 2.195 12.755 1.00 0.00 S ATOM 0 H CYS A 46 14.513 1.967 15.120 1.00 0.00 H new ATOM 0 HA CYS A 46 14.258 -0.783 14.516 1.00 0.00 H new ATOM 0 HB2 CYS A 46 14.950 -0.022 12.251 1.00 0.00 H new ATOM 0 HB3 CYS A 46 13.660 0.948 12.934 1.00 0.00 H new ATOM 0 HG CYS A 46 16.266 2.129 11.590 1.00 0.00 H new ATOM 682 N ASP A 47 16.673 -1.512 13.678 1.00 0.00 N ATOM 683 CA ASP A 47 17.971 -2.178 13.733 1.00 0.00 C ATOM 684 C ASP A 47 19.051 -1.336 13.060 1.00 0.00 C ATOM 685 O ASP A 47 20.220 -1.717 13.033 1.00 0.00 O ATOM 686 CB ASP A 47 17.899 -3.570 13.095 1.00 0.00 C ATOM 687 CG ASP A 47 17.638 -3.530 11.603 1.00 0.00 C ATOM 688 OD1 ASP A 47 16.548 -3.073 11.199 1.00 0.00 O ATOM 689 OD2 ASP A 47 18.513 -3.981 10.835 1.00 0.00 O ATOM 0 H ASP A 47 16.036 -1.889 12.976 1.00 0.00 H new ATOM 0 HA ASP A 47 18.239 -2.295 14.783 1.00 0.00 H new ATOM 0 HB2 ASP A 47 18.836 -4.096 13.279 1.00 0.00 H new ATOM 0 HB3 ASP A 47 17.110 -4.145 13.580 1.00 0.00 H new ATOM 694 N ASP A 48 18.652 -0.187 12.523 1.00 0.00 N ATOM 695 CA ASP A 48 19.603 0.788 11.997 1.00 0.00 C ATOM 696 C ASP A 48 20.324 1.462 13.155 1.00 0.00 C ATOM 697 O ASP A 48 21.400 2.037 12.996 1.00 0.00 O ATOM 698 CB ASP A 48 18.888 1.850 11.157 1.00 0.00 C ATOM 699 CG ASP A 48 17.988 1.253 10.099 1.00 0.00 C ATOM 700 OD1 ASP A 48 16.810 0.991 10.406 1.00 0.00 O ATOM 701 OD2 ASP A 48 18.445 1.050 8.958 1.00 0.00 O ATOM 0 H ASP A 48 17.675 0.093 12.440 1.00 0.00 H new ATOM 0 HA ASP A 48 20.319 0.267 11.361 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.296 2.488 11.813 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.631 2.488 10.678 1.00 0.00 H new ATOM 706 N SER A 49 19.701 1.397 14.321 1.00 0.00 N ATOM 707 CA SER A 49 20.294 1.898 15.545 1.00 0.00 C ATOM 708 C SER A 49 21.143 0.798 16.169 1.00 0.00 C ATOM 709 O SER A 49 20.757 -0.364 16.132 1.00 0.00 O ATOM 710 CB SER A 49 19.188 2.338 16.512 1.00 0.00 C ATOM 711 OG SER A 49 19.713 2.756 17.762 1.00 0.00 O ATOM 0 H SER A 49 18.771 0.995 14.443 1.00 0.00 H new ATOM 0 HA SER A 49 20.926 2.759 15.329 1.00 0.00 H new ATOM 0 HB2 SER A 49 18.619 3.154 16.066 1.00 0.00 H new ATOM 0 HB3 SER A 49 18.493 1.513 16.668 1.00 0.00 H new ATOM 0 HG SER A 49 18.979 3.030 18.350 1.00 0.00 H new ATOM 717 N PRO A 50 22.306 1.142 16.748 1.00 0.00 N ATOM 718 CA PRO A 50 23.216 0.156 17.355 1.00 0.00 C ATOM 719 C PRO A 50 22.575 -0.615 18.513 1.00 0.00 C ATOM 720 O PRO A 50 23.110 -1.625 18.971 1.00 0.00 O ATOM 721 CB PRO A 50 24.390 1.005 17.859 1.00 0.00 C ATOM 722 CG PRO A 50 23.859 2.395 17.942 1.00 0.00 C ATOM 723 CD PRO A 50 22.836 2.511 16.851 1.00 0.00 C ATOM 0 HA PRO A 50 23.505 -0.612 16.638 1.00 0.00 H new ATOM 0 HB2 PRO A 50 24.738 0.658 18.832 1.00 0.00 H new ATOM 0 HB3 PRO A 50 25.239 0.948 17.177 1.00 0.00 H new ATOM 0 HG2 PRO A 50 23.412 2.585 18.918 1.00 0.00 H new ATOM 0 HG3 PRO A 50 24.656 3.126 17.809 1.00 0.00 H new ATOM 0 HD2 PRO A 50 22.055 3.228 17.104 1.00 0.00 H new ATOM 0 HD3 PRO A 50 23.282 2.843 15.913 1.00 0.00 H new ATOM 731 N HIS A 51 21.428 -0.135 18.978 1.00 0.00 N ATOM 732 CA HIS A 51 20.707 -0.786 20.063 1.00 0.00 C ATOM 733 C HIS A 51 19.836 -1.923 19.516 1.00 0.00 C ATOM 734 O HIS A 51 19.698 -2.968 20.150 1.00 0.00 O ATOM 735 CB HIS A 51 19.845 0.243 20.803 1.00 0.00 C ATOM 736 CG HIS A 51 19.351 -0.215 22.142 1.00 0.00 C ATOM 737 ND1 HIS A 51 19.807 0.312 23.331 1.00 0.00 N ATOM 738 CD2 HIS A 51 18.422 -1.140 22.478 1.00 0.00 C ATOM 739 CE1 HIS A 51 19.180 -0.268 24.337 1.00 0.00 C ATOM 740 NE2 HIS A 51 18.334 -1.153 23.845 1.00 0.00 N ATOM 0 H HIS A 51 20.976 0.706 18.619 1.00 0.00 H new ATOM 0 HA HIS A 51 21.426 -1.212 20.763 1.00 0.00 H new ATOM 0 HB2 HIS A 51 20.424 1.157 20.936 1.00 0.00 H new ATOM 0 HB3 HIS A 51 18.988 0.497 20.180 1.00 0.00 H new ATOM 0 HD2 HIS A 51 17.855 -1.754 21.795 1.00 0.00 H new ATOM 0 HE1 HIS A 51 19.333 -0.055 25.385 1.00 0.00 H new ATOM 0 HE2 HIS A 51 17.715 -1.750 24.393 1.00 0.00 H new ATOM 749 N LYS A 52 19.260 -1.693 18.332 1.00 0.00 N ATOM 750 CA LYS A 52 18.419 -2.680 17.636 1.00 0.00 C ATOM 751 C LYS A 52 17.358 -3.293 18.552 1.00 0.00 C ATOM 752 O LYS A 52 17.259 -4.513 18.672 1.00 0.00 O ATOM 753 CB LYS A 52 19.287 -3.788 17.022 1.00 0.00 C ATOM 754 CG LYS A 52 20.377 -3.251 16.116 1.00 0.00 C ATOM 755 CD LYS A 52 21.085 -4.342 15.333 1.00 0.00 C ATOM 756 CE LYS A 52 22.181 -3.742 14.466 1.00 0.00 C ATOM 757 NZ LYS A 52 22.775 -4.731 13.532 1.00 0.00 N ATOM 0 H LYS A 52 19.363 -0.814 17.825 1.00 0.00 H new ATOM 0 HA LYS A 52 17.896 -2.147 16.843 1.00 0.00 H new ATOM 0 HB2 LYS A 52 19.742 -4.371 17.822 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.652 -4.467 16.454 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.943 -2.534 15.419 1.00 0.00 H new ATOM 0 HG3 LYS A 52 21.108 -2.709 16.717 1.00 0.00 H new ATOM 0 HD2 LYS A 52 21.514 -5.072 16.019 1.00 0.00 H new ATOM 0 HD3 LYS A 52 20.368 -4.874 14.708 1.00 0.00 H new ATOM 0 HE2 LYS A 52 21.772 -2.908 13.895 1.00 0.00 H new ATOM 0 HE3 LYS A 52 22.964 -3.336 15.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 23.516 -4.272 12.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 23.190 -5.515 14.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 22.035 -5.100 12.901 1.00 0.00 H new ATOM 771 N HIS A 53 16.543 -2.451 19.179 1.00 0.00 N ATOM 772 CA HIS A 53 15.514 -2.950 20.088 1.00 0.00 C ATOM 773 C HIS A 53 14.321 -3.484 19.298 1.00 0.00 C ATOM 774 O HIS A 53 13.503 -4.243 19.820 1.00 0.00 O ATOM 775 CB HIS A 53 15.059 -1.857 21.068 1.00 0.00 C ATOM 776 CG HIS A 53 14.269 -2.396 22.227 1.00 0.00 C ATOM 777 ND1 HIS A 53 13.289 -1.684 22.890 1.00 0.00 N ATOM 778 CD2 HIS A 53 14.335 -3.599 22.844 1.00 0.00 C ATOM 779 CE1 HIS A 53 12.791 -2.430 23.860 1.00 0.00 C ATOM 780 NE2 HIS A 53 13.409 -3.597 23.854 1.00 0.00 N ATOM 0 H HIS A 53 16.572 -1.436 19.078 1.00 0.00 H new ATOM 0 HA HIS A 53 15.946 -3.765 20.669 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.935 -1.330 21.447 1.00 0.00 H new ATOM 0 HB3 HIS A 53 14.454 -1.126 20.532 1.00 0.00 H new ATOM 0 HD1 HIS A 53 12.996 -0.733 22.666 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.997 -4.413 22.587 1.00 0.00 H new ATOM 0 HE1 HIS A 53 12.009 -2.135 24.544 1.00 0.00 H new ATOM 789 N ALA A 54 14.230 -3.088 18.037 1.00 0.00 N ATOM 790 CA ALA A 54 13.144 -3.525 17.173 1.00 0.00 C ATOM 791 C ALA A 54 13.247 -5.014 16.867 1.00 0.00 C ATOM 792 O ALA A 54 12.272 -5.758 17.002 1.00 0.00 O ATOM 793 CB ALA A 54 13.152 -2.725 15.883 1.00 0.00 C ATOM 0 H ALA A 54 14.899 -2.462 17.588 1.00 0.00 H new ATOM 0 HA ALA A 54 12.204 -3.353 17.697 1.00 0.00 H new ATOM 0 HB1 ALA A 54 12.336 -3.059 15.243 1.00 0.00 H new ATOM 0 HB2 ALA A 54 13.025 -1.667 16.110 1.00 0.00 H new ATOM 0 HB3 ALA A 54 14.101 -2.874 15.368 1.00 0.00 H new ATOM 799 N THR A 55 14.441 -5.442 16.489 1.00 0.00 N ATOM 800 CA THR A 55 14.678 -6.823 16.110 1.00 0.00 C ATOM 801 C THR A 55 14.637 -7.741 17.323 1.00 0.00 C ATOM 802 O THR A 55 14.046 -8.822 17.277 1.00 0.00 O ATOM 803 CB THR A 55 16.032 -6.952 15.401 1.00 0.00 C ATOM 804 OG1 THR A 55 16.994 -6.112 16.055 1.00 0.00 O ATOM 805 CG2 THR A 55 15.916 -6.557 13.937 1.00 0.00 C ATOM 0 H THR A 55 15.267 -4.846 16.437 1.00 0.00 H new ATOM 0 HA THR A 55 13.884 -7.126 15.427 1.00 0.00 H new ATOM 0 HB THR A 55 16.355 -7.992 15.451 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.899 -6.416 15.833 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.889 -6.657 13.455 1.00 0.00 H new ATOM 0 HG22 THR A 55 15.197 -7.208 13.440 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.579 -5.523 13.865 1.00 0.00 H new ATOM 813 N ARG A 56 15.248 -7.291 18.415 1.00 0.00 N ATOM 814 CA ARG A 56 15.260 -8.057 19.656 1.00 0.00 C ATOM 815 C ARG A 56 13.840 -8.292 20.160 1.00 0.00 C ATOM 816 O ARG A 56 13.540 -9.347 20.715 1.00 0.00 O ATOM 817 CB ARG A 56 16.086 -7.343 20.729 1.00 0.00 C ATOM 818 CG ARG A 56 17.541 -7.149 20.344 1.00 0.00 C ATOM 819 CD ARG A 56 18.346 -6.535 21.477 1.00 0.00 C ATOM 820 NE ARG A 56 19.724 -6.261 21.075 1.00 0.00 N ATOM 821 CZ ARG A 56 20.786 -6.895 21.571 1.00 0.00 C ATOM 822 NH1 ARG A 56 20.636 -7.844 22.488 1.00 0.00 N ATOM 823 NH2 ARG A 56 22.002 -6.582 21.141 1.00 0.00 N ATOM 0 H ARG A 56 15.741 -6.400 18.465 1.00 0.00 H new ATOM 0 HA ARG A 56 15.721 -9.023 19.448 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.639 -6.370 20.932 1.00 0.00 H new ATOM 0 HB3 ARG A 56 16.037 -7.916 21.655 1.00 0.00 H new ATOM 0 HG2 ARG A 56 17.975 -8.110 20.068 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.602 -6.507 19.465 1.00 0.00 H new ATOM 0 HD2 ARG A 56 17.871 -5.609 21.801 1.00 0.00 H new ATOM 0 HD3 ARG A 56 18.344 -7.211 22.332 1.00 0.00 H new ATOM 0 HE ARG A 56 19.883 -5.540 20.371 1.00 0.00 H new ATOM 0 HH11 ARG A 56 19.703 -8.092 22.817 1.00 0.00 H new ATOM 0 HH12 ARG A 56 21.454 -8.325 22.863 1.00 0.00 H new ATOM 0 HH21 ARG A 56 22.122 -5.858 20.433 1.00 0.00 H new ATOM 0 HH22 ARG A 56 22.817 -7.066 21.519 1.00 0.00 H new ATOM 837 N HIS A 57 12.964 -7.310 19.951 1.00 0.00 N ATOM 838 CA HIS A 57 11.569 -7.441 20.353 1.00 0.00 C ATOM 839 C HIS A 57 10.887 -8.554 19.567 1.00 0.00 C ATOM 840 O HIS A 57 10.165 -9.373 20.138 1.00 0.00 O ATOM 841 CB HIS A 57 10.809 -6.125 20.158 1.00 0.00 C ATOM 842 CG HIS A 57 9.370 -6.215 20.569 1.00 0.00 C ATOM 843 ND1 HIS A 57 8.938 -6.069 21.866 1.00 0.00 N ATOM 844 CD2 HIS A 57 8.259 -6.481 19.828 1.00 0.00 C ATOM 845 CE1 HIS A 57 7.613 -6.255 21.880 1.00 0.00 C ATOM 846 NE2 HIS A 57 7.151 -6.507 20.667 1.00 0.00 N ATOM 0 H HIS A 57 13.196 -6.421 19.508 1.00 0.00 H new ATOM 0 HA HIS A 57 11.554 -7.693 21.413 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.298 -5.340 20.735 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.864 -5.831 19.110 1.00 0.00 H new ATOM 0 HD1 HIS A 57 9.523 -5.857 22.674 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.242 -6.645 18.761 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.000 -6.206 22.768 1.00 0.00 H new ATOM 854 N PHE A 58 11.110 -8.572 18.259 1.00 0.00 N ATOM 855 CA PHE A 58 10.535 -9.600 17.402 1.00 0.00 C ATOM 856 C PHE A 58 11.052 -10.974 17.809 1.00 0.00 C ATOM 857 O PHE A 58 10.285 -11.925 17.933 1.00 0.00 O ATOM 858 CB PHE A 58 10.867 -9.322 15.932 1.00 0.00 C ATOM 859 CG PHE A 58 10.478 -10.439 15.001 1.00 0.00 C ATOM 860 CD1 PHE A 58 9.201 -10.976 15.025 1.00 0.00 C ATOM 861 CD2 PHE A 58 11.396 -10.955 14.107 1.00 0.00 C ATOM 862 CE1 PHE A 58 8.852 -12.007 14.174 1.00 0.00 C ATOM 863 CE2 PHE A 58 11.054 -11.984 13.251 1.00 0.00 C ATOM 864 CZ PHE A 58 9.780 -12.512 13.286 1.00 0.00 C ATOM 0 H PHE A 58 11.685 -7.887 17.769 1.00 0.00 H new ATOM 0 HA PHE A 58 9.452 -9.583 17.520 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.360 -8.409 15.621 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.938 -9.140 15.839 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.470 -10.584 15.717 1.00 0.00 H new ATOM 0 HD2 PHE A 58 12.396 -10.548 14.077 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.854 -12.418 14.204 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.783 -12.374 12.556 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.510 -13.318 12.620 1.00 0.00 H new ATOM 874 N HIS A 59 12.351 -11.052 18.044 1.00 0.00 N ATOM 875 CA HIS A 59 12.994 -12.298 18.438 1.00 0.00 C ATOM 876 C HIS A 59 12.481 -12.782 19.797 1.00 0.00 C ATOM 877 O HIS A 59 12.448 -13.981 20.064 1.00 0.00 O ATOM 878 CB HIS A 59 14.513 -12.093 18.476 1.00 0.00 C ATOM 879 CG HIS A 59 15.301 -13.315 18.839 1.00 0.00 C ATOM 880 ND1 HIS A 59 15.431 -14.405 18.006 1.00 0.00 N ATOM 881 CD2 HIS A 59 16.019 -13.606 19.949 1.00 0.00 C ATOM 882 CE1 HIS A 59 16.192 -15.311 18.587 1.00 0.00 C ATOM 883 NE2 HIS A 59 16.564 -14.852 19.767 1.00 0.00 N ATOM 0 H HIS A 59 12.988 -10.259 17.968 1.00 0.00 H new ATOM 0 HA HIS A 59 12.749 -13.067 17.705 1.00 0.00 H new ATOM 0 HB2 HIS A 59 14.843 -11.742 17.498 1.00 0.00 H new ATOM 0 HB3 HIS A 59 14.742 -11.304 19.192 1.00 0.00 H new ATOM 0 HD2 HIS A 59 16.140 -12.975 20.817 1.00 0.00 H new ATOM 0 HE1 HIS A 59 16.465 -16.268 18.168 1.00 0.00 H new ATOM 0 HE2 HIS A 59 17.159 -15.343 20.434 1.00 0.00 H new ATOM 892 N ALA A 60 12.077 -11.845 20.647 1.00 0.00 N ATOM 893 CA ALA A 60 11.620 -12.176 21.993 1.00 0.00 C ATOM 894 C ALA A 60 10.139 -12.550 22.024 1.00 0.00 C ATOM 895 O ALA A 60 9.774 -13.615 22.520 1.00 0.00 O ATOM 896 CB ALA A 60 11.885 -11.012 22.936 1.00 0.00 C ATOM 0 H ALA A 60 12.056 -10.849 20.428 1.00 0.00 H new ATOM 0 HA ALA A 60 12.183 -13.049 22.323 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.540 -11.269 23.938 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.954 -10.802 22.963 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.351 -10.130 22.584 1.00 0.00 H new ATOM 902 N THR A 61 9.293 -11.676 21.492 1.00 0.00 N ATOM 903 CA THR A 61 7.846 -11.860 21.591 1.00 0.00 C ATOM 904 C THR A 61 7.282 -12.659 20.420 1.00 0.00 C ATOM 905 O THR A 61 6.307 -13.399 20.571 1.00 0.00 O ATOM 906 CB THR A 61 7.113 -10.504 21.669 1.00 0.00 C ATOM 907 OG1 THR A 61 7.535 -9.648 20.596 1.00 0.00 O ATOM 908 CG2 THR A 61 7.372 -9.820 23.002 1.00 0.00 C ATOM 0 H THR A 61 9.580 -10.836 20.989 1.00 0.00 H new ATOM 0 HA THR A 61 7.676 -12.422 22.509 1.00 0.00 H new ATOM 0 HB THR A 61 6.044 -10.695 21.579 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.464 -9.374 20.743 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.844 -8.867 23.031 1.00 0.00 H new ATOM 0 HG22 THR A 61 7.016 -10.456 23.813 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.442 -9.646 23.120 1.00 0.00 H new ATOM 916 N GLY A 62 7.900 -12.522 19.257 1.00 0.00 N ATOM 917 CA GLY A 62 7.370 -13.148 18.066 1.00 0.00 C ATOM 918 C GLY A 62 6.271 -12.317 17.438 1.00 0.00 C ATOM 919 O GLY A 62 5.199 -12.827 17.120 1.00 0.00 O ATOM 0 H GLY A 62 8.758 -11.989 19.117 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.173 -13.295 17.344 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.982 -14.135 18.316 1.00 0.00 H new ATOM 923 N HIS A 63 6.534 -11.026 17.279 1.00 0.00 N ATOM 924 CA HIS A 63 5.571 -10.116 16.668 1.00 0.00 C ATOM 925 C HIS A 63 6.135 -9.595 15.348 1.00 0.00 C ATOM 926 O HIS A 63 6.906 -8.635 15.330 1.00 0.00 O ATOM 927 CB HIS A 63 5.237 -8.949 17.612 1.00 0.00 C ATOM 928 CG HIS A 63 4.484 -9.347 18.858 1.00 0.00 C ATOM 929 ND1 HIS A 63 4.343 -8.485 19.926 1.00 0.00 N ATOM 930 CD2 HIS A 63 3.839 -10.505 19.148 1.00 0.00 C ATOM 931 CE1 HIS A 63 3.623 -9.127 20.824 1.00 0.00 C ATOM 932 NE2 HIS A 63 3.292 -10.356 20.400 1.00 0.00 N ATOM 0 H HIS A 63 7.408 -10.584 17.565 1.00 0.00 H new ATOM 0 HA HIS A 63 4.645 -10.659 16.476 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.165 -8.458 17.905 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.647 -8.214 17.065 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.769 -11.378 18.515 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.336 -8.716 21.780 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.741 -11.047 20.909 1.00 0.00 H new ATOM 940 N PRO A 64 5.771 -10.243 14.229 1.00 0.00 N ATOM 941 CA PRO A 64 6.403 -10.013 12.926 1.00 0.00 C ATOM 942 C PRO A 64 5.894 -8.787 12.173 1.00 0.00 C ATOM 943 O PRO A 64 6.284 -8.565 11.028 1.00 0.00 O ATOM 944 CB PRO A 64 6.041 -11.279 12.156 1.00 0.00 C ATOM 945 CG PRO A 64 4.711 -11.673 12.696 1.00 0.00 C ATOM 946 CD PRO A 64 4.715 -11.274 14.149 1.00 0.00 C ATOM 0 HA PRO A 64 7.469 -9.818 13.043 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.995 -11.092 11.083 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.781 -12.064 12.311 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.907 -11.172 12.156 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.548 -12.745 12.587 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.747 -10.880 14.458 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.935 -12.123 14.796 1.00 0.00 H new ATOM 954 N ILE A 65 5.028 -7.995 12.783 1.00 0.00 N ATOM 955 CA ILE A 65 4.524 -6.805 12.111 1.00 0.00 C ATOM 956 C ILE A 65 4.726 -5.555 12.954 1.00 0.00 C ATOM 957 O ILE A 65 4.386 -5.517 14.142 1.00 0.00 O ATOM 958 CB ILE A 65 3.035 -6.933 11.715 1.00 0.00 C ATOM 959 CG1 ILE A 65 2.865 -8.040 10.669 1.00 0.00 C ATOM 960 CG2 ILE A 65 2.503 -5.605 11.177 1.00 0.00 C ATOM 961 CD1 ILE A 65 1.460 -8.162 10.127 1.00 0.00 C ATOM 0 H ILE A 65 4.664 -8.148 13.724 1.00 0.00 H new ATOM 0 HA ILE A 65 5.108 -6.711 11.195 1.00 0.00 H new ATOM 0 HB ILE A 65 2.460 -7.195 12.603 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.548 -7.851 9.841 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.157 -8.992 11.112 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.454 -5.717 10.904 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.598 -4.837 11.945 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.077 -5.312 10.298 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.422 -8.967 9.393 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.773 -8.383 10.944 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.170 -7.224 9.653 1.00 0.00 H new ATOM 973 N ILE A 66 5.295 -4.541 12.322 1.00 0.00 N ATOM 974 CA ILE A 66 5.500 -3.252 12.951 1.00 0.00 C ATOM 975 C ILE A 66 4.962 -2.150 12.060 1.00 0.00 C ATOM 976 O ILE A 66 4.587 -2.396 10.916 1.00 0.00 O ATOM 977 CB ILE A 66 6.987 -2.978 13.247 1.00 0.00 C ATOM 978 CG1 ILE A 66 7.818 -3.076 11.965 1.00 0.00 C ATOM 979 CG2 ILE A 66 7.493 -3.947 14.299 1.00 0.00 C ATOM 980 CD1 ILE A 66 9.264 -2.663 12.137 1.00 0.00 C ATOM 0 H ILE A 66 5.627 -4.591 11.359 1.00 0.00 H new ATOM 0 HA ILE A 66 4.964 -3.269 13.900 1.00 0.00 H new ATOM 0 HB ILE A 66 7.089 -1.964 13.634 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.785 -4.103 11.600 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.361 -2.450 11.199 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.545 -3.747 14.502 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.916 -3.823 15.215 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.382 -4.969 13.936 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.786 -2.760 11.185 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.309 -1.627 12.471 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.740 -3.304 12.879 1.00 0.00 H new ATOM 992 N GLU A 67 4.940 -0.943 12.582 1.00 0.00 N ATOM 993 CA GLU A 67 4.385 0.188 11.872 1.00 0.00 C ATOM 994 C GLU A 67 5.279 1.407 12.058 1.00 0.00 C ATOM 995 O GLU A 67 5.937 1.550 13.093 1.00 0.00 O ATOM 996 CB GLU A 67 2.978 0.453 12.397 1.00 0.00 C ATOM 997 CG GLU A 67 2.260 1.612 11.738 1.00 0.00 C ATOM 998 CD GLU A 67 0.864 1.773 12.284 1.00 0.00 C ATOM 999 OE1 GLU A 67 0.705 2.411 13.342 1.00 0.00 O ATOM 1000 OE2 GLU A 67 -0.077 1.236 11.678 1.00 0.00 O ATOM 0 H GLU A 67 5.305 -0.719 13.508 1.00 0.00 H new ATOM 0 HA GLU A 67 4.331 -0.026 10.805 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.380 -0.449 12.264 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.035 0.642 13.469 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.824 2.531 11.899 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.215 1.450 10.661 1.00 0.00 H new ATOM 1007 N GLY A 68 5.321 2.263 11.047 1.00 0.00 N ATOM 1008 CA GLY A 68 6.138 3.458 11.112 1.00 0.00 C ATOM 1009 C GLY A 68 5.637 4.452 12.137 1.00 0.00 C ATOM 1010 O GLY A 68 4.659 5.158 11.900 1.00 0.00 O ATOM 0 H GLY A 68 4.800 2.150 10.177 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.164 3.179 11.353 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.159 3.933 10.131 1.00 0.00 H new ATOM 1014 N TYR A 69 6.311 4.502 13.280 1.00 0.00 N ATOM 1015 CA TYR A 69 5.942 5.421 14.346 1.00 0.00 C ATOM 1016 C TYR A 69 6.637 6.761 14.133 1.00 0.00 C ATOM 1017 O TYR A 69 6.030 7.823 14.277 1.00 0.00 O ATOM 1018 CB TYR A 69 6.327 4.828 15.707 1.00 0.00 C ATOM 1019 CG TYR A 69 5.710 5.538 16.893 1.00 0.00 C ATOM 1020 CD1 TYR A 69 6.280 6.690 17.417 1.00 0.00 C ATOM 1021 CD2 TYR A 69 4.558 5.048 17.495 1.00 0.00 C ATOM 1022 CE1 TYR A 69 5.719 7.335 18.503 1.00 0.00 C ATOM 1023 CE2 TYR A 69 3.992 5.686 18.582 1.00 0.00 C ATOM 1024 CZ TYR A 69 4.577 6.828 19.083 1.00 0.00 C ATOM 1025 OH TYR A 69 4.018 7.466 20.168 1.00 0.00 O ATOM 0 H TYR A 69 7.118 3.915 13.491 1.00 0.00 H new ATOM 0 HA TYR A 69 4.863 5.577 14.329 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.029 3.780 15.731 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.412 4.853 15.807 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.178 7.089 16.968 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.096 4.152 17.106 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.174 8.233 18.895 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.095 5.291 19.037 1.00 0.00 H new ATOM 0 HH TYR A 69 4.292 7.011 20.992 1.00 0.00 H new ATOM 1035 N ASP A 70 7.917 6.702 13.780 1.00 0.00 N ATOM 1036 CA ASP A 70 8.684 7.911 13.500 1.00 0.00 C ATOM 1037 C ASP A 70 8.347 8.478 12.117 1.00 0.00 C ATOM 1038 O ASP A 70 8.013 9.655 12.011 1.00 0.00 O ATOM 1039 CB ASP A 70 10.192 7.667 13.637 1.00 0.00 C ATOM 1040 CG ASP A 70 11.011 8.807 13.064 1.00 0.00 C ATOM 1041 OD1 ASP A 70 10.920 9.931 13.592 1.00 0.00 O ATOM 1042 OD2 ASP A 70 11.748 8.579 12.078 1.00 0.00 O ATOM 0 H ASP A 70 8.443 5.834 13.681 1.00 0.00 H new ATOM 0 HA ASP A 70 8.399 8.653 14.246 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.443 7.535 14.689 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.456 6.740 13.128 1.00 0.00 H new ATOM 1047 N PRO A 71 8.427 7.676 11.028 1.00 0.00 N ATOM 1048 CA PRO A 71 8.042 8.137 9.700 1.00 0.00 C ATOM 1049 C PRO A 71 6.530 8.053 9.506 1.00 0.00 C ATOM 1050 O PRO A 71 5.978 6.961 9.353 1.00 0.00 O ATOM 1051 CB PRO A 71 8.766 7.173 8.744 1.00 0.00 C ATOM 1052 CG PRO A 71 9.528 6.222 9.615 1.00 0.00 C ATOM 1053 CD PRO A 71 8.890 6.285 10.971 1.00 0.00 C ATOM 0 HA PRO A 71 8.309 9.180 9.530 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.054 6.640 8.114 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.437 7.715 8.078 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.487 5.210 9.213 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.580 6.502 9.668 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.067 5.577 11.068 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.600 6.059 11.767 1.00 0.00 H new ATOM 1061 N PRO A 72 5.843 9.205 9.504 1.00 0.00 N ATOM 1062 CA PRO A 72 4.382 9.273 9.460 1.00 0.00 C ATOM 1063 C PRO A 72 3.829 9.052 8.055 1.00 0.00 C ATOM 1064 O PRO A 72 2.842 9.670 7.658 1.00 0.00 O ATOM 1065 CB PRO A 72 4.069 10.702 9.939 1.00 0.00 C ATOM 1066 CG PRO A 72 5.386 11.329 10.276 1.00 0.00 C ATOM 1067 CD PRO A 72 6.429 10.546 9.537 1.00 0.00 C ATOM 0 HA PRO A 72 3.925 8.495 10.072 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.556 11.269 9.162 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.412 10.686 10.809 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.404 12.378 9.979 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.567 11.299 11.350 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.600 10.940 8.535 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.389 10.558 10.053 1.00 0.00 H new ATOM 1075 N GLU A 73 4.461 8.155 7.316 1.00 0.00 N ATOM 1076 CA GLU A 73 4.040 7.841 5.959 1.00 0.00 C ATOM 1077 C GLU A 73 2.921 6.806 5.985 1.00 0.00 C ATOM 1078 O GLU A 73 2.262 6.556 4.976 1.00 0.00 O ATOM 1079 CB GLU A 73 5.228 7.318 5.151 1.00 0.00 C ATOM 1080 CG GLU A 73 6.417 8.266 5.137 1.00 0.00 C ATOM 1081 CD GLU A 73 7.626 7.666 4.451 1.00 0.00 C ATOM 1082 OE1 GLU A 73 7.745 7.805 3.216 1.00 0.00 O ATOM 1083 OE2 GLU A 73 8.460 7.049 5.144 1.00 0.00 O ATOM 0 H GLU A 73 5.274 7.628 7.635 1.00 0.00 H new ATOM 0 HA GLU A 73 3.666 8.748 5.485 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.543 6.359 5.562 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.907 7.135 4.125 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.136 9.189 4.630 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.678 8.532 6.161 1.00 0.00 H new ATOM 1090 N GLY A 74 2.713 6.211 7.156 1.00 0.00 N ATOM 1091 CA GLY A 74 1.673 5.215 7.312 1.00 0.00 C ATOM 1092 C GLY A 74 2.018 3.922 6.611 1.00 0.00 C ATOM 1093 O GLY A 74 1.490 3.626 5.540 1.00 0.00 O ATOM 0 H GLY A 74 3.250 6.403 8.002 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.513 5.021 8.373 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.736 5.604 6.914 1.00 0.00 H new ATOM 1097 N TRP A 75 2.904 3.148 7.212 1.00 0.00 N ATOM 1098 CA TRP A 75 3.369 1.916 6.600 1.00 0.00 C ATOM 1099 C TRP A 75 3.558 0.827 7.639 1.00 0.00 C ATOM 1100 O TRP A 75 3.885 1.106 8.795 1.00 0.00 O ATOM 1101 CB TRP A 75 4.680 2.154 5.844 1.00 0.00 C ATOM 1102 CG TRP A 75 5.756 2.789 6.675 1.00 0.00 C ATOM 1103 CD1 TRP A 75 5.925 4.122 6.908 1.00 0.00 C ATOM 1104 CD2 TRP A 75 6.817 2.122 7.374 1.00 0.00 C ATOM 1105 NE1 TRP A 75 7.019 4.327 7.709 1.00 0.00 N ATOM 1106 CE2 TRP A 75 7.585 3.116 8.008 1.00 0.00 C ATOM 1107 CE3 TRP A 75 7.192 0.784 7.526 1.00 0.00 C ATOM 1108 CZ2 TRP A 75 8.703 2.815 8.781 1.00 0.00 C ATOM 1109 CZ3 TRP A 75 8.303 0.487 8.295 1.00 0.00 C ATOM 1110 CH2 TRP A 75 9.046 1.498 8.913 1.00 0.00 C ATOM 0 H TRP A 75 3.316 3.351 8.123 1.00 0.00 H new ATOM 0 HA TRP A 75 2.608 1.586 5.893 1.00 0.00 H new ATOM 0 HB2 TRP A 75 5.045 1.201 5.461 1.00 0.00 H new ATOM 0 HB3 TRP A 75 4.480 2.788 4.981 1.00 0.00 H new ATOM 0 HD1 TRP A 75 5.289 4.903 6.518 1.00 0.00 H new ATOM 0 HE1 TRP A 75 7.357 5.234 8.030 1.00 0.00 H new ATOM 0 HE3 TRP A 75 6.625 -0.003 7.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 9.279 3.594 9.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 8.602 -0.543 8.420 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.908 1.233 9.507 1.00 0.00 H new ATOM 1121 N GLY A 76 3.347 -0.407 7.217 1.00 0.00 N ATOM 1122 CA GLY A 76 3.562 -1.541 8.085 1.00 0.00 C ATOM 1123 C GLY A 76 4.615 -2.468 7.530 1.00 0.00 C ATOM 1124 O GLY A 76 4.585 -2.816 6.348 1.00 0.00 O ATOM 0 H GLY A 76 3.027 -0.645 6.278 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.866 -1.193 9.072 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.627 -2.086 8.213 1.00 0.00 H new ATOM 1128 N TRP A 77 5.541 -2.868 8.379 1.00 0.00 N ATOM 1129 CA TRP A 77 6.634 -3.729 7.969 1.00 0.00 C ATOM 1130 C TRP A 77 6.448 -5.120 8.551 1.00 0.00 C ATOM 1131 O TRP A 77 6.276 -5.284 9.760 1.00 0.00 O ATOM 1132 CB TRP A 77 7.971 -3.130 8.416 1.00 0.00 C ATOM 1133 CG TRP A 77 9.168 -3.965 8.064 1.00 0.00 C ATOM 1134 CD1 TRP A 77 9.902 -4.750 8.908 1.00 0.00 C ATOM 1135 CD2 TRP A 77 9.772 -4.091 6.774 1.00 0.00 C ATOM 1136 NE1 TRP A 77 10.928 -5.350 8.219 1.00 0.00 N ATOM 1137 CE2 TRP A 77 10.867 -4.963 6.908 1.00 0.00 C ATOM 1138 CE3 TRP A 77 9.492 -3.549 5.518 1.00 0.00 C ATOM 1139 CZ2 TRP A 77 11.681 -5.305 5.832 1.00 0.00 C ATOM 1140 CZ3 TRP A 77 10.300 -3.889 4.451 1.00 0.00 C ATOM 1141 CH2 TRP A 77 11.383 -4.760 4.614 1.00 0.00 C ATOM 0 H TRP A 77 5.558 -2.608 9.365 1.00 0.00 H new ATOM 0 HA TRP A 77 6.637 -3.807 6.882 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.084 -2.145 7.964 1.00 0.00 H new ATOM 0 HB3 TRP A 77 7.948 -2.985 9.496 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.705 -4.880 9.962 1.00 0.00 H new ATOM 0 HE1 TRP A 77 11.622 -5.981 8.619 1.00 0.00 H new ATOM 0 HE3 TRP A 77 8.658 -2.876 5.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 12.518 -5.977 5.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 10.093 -3.476 3.475 1.00 0.00 H new ATOM 0 HH2 TRP A 77 11.996 -5.007 3.760 1.00 0.00 H new ATOM 1152 N CYS A 78 6.460 -6.114 7.685 1.00 0.00 N ATOM 1153 CA CYS A 78 6.298 -7.493 8.109 1.00 0.00 C ATOM 1154 C CYS A 78 7.646 -8.202 8.049 1.00 0.00 C ATOM 1155 O CYS A 78 8.126 -8.509 6.966 1.00 0.00 O ATOM 1156 CB CYS A 78 5.281 -8.194 7.204 1.00 0.00 C ATOM 1157 SG CYS A 78 4.583 -9.734 7.886 1.00 0.00 S ATOM 0 H CYS A 78 6.581 -5.993 6.679 1.00 0.00 H new ATOM 0 HA CYS A 78 5.929 -7.523 9.134 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.464 -7.503 6.996 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.759 -8.419 6.251 1.00 0.00 H new ATOM 1162 N TYR A 79 8.250 -8.446 9.214 1.00 0.00 N ATOM 1163 CA TYR A 79 9.598 -9.024 9.304 1.00 0.00 C ATOM 1164 C TYR A 79 9.742 -10.294 8.467 1.00 0.00 C ATOM 1165 O TYR A 79 10.614 -10.384 7.608 1.00 0.00 O ATOM 1166 CB TYR A 79 9.950 -9.349 10.761 1.00 0.00 C ATOM 1167 CG TYR A 79 10.162 -8.137 11.642 1.00 0.00 C ATOM 1168 CD1 TYR A 79 11.295 -7.346 11.501 1.00 0.00 C ATOM 1169 CD2 TYR A 79 9.242 -7.794 12.625 1.00 0.00 C ATOM 1170 CE1 TYR A 79 11.503 -6.248 12.312 1.00 0.00 C ATOM 1171 CE2 TYR A 79 9.442 -6.696 13.438 1.00 0.00 C ATOM 1172 CZ TYR A 79 10.574 -5.927 13.278 1.00 0.00 C ATOM 1173 OH TYR A 79 10.778 -4.827 14.083 1.00 0.00 O ATOM 0 H TYR A 79 7.823 -8.250 10.119 1.00 0.00 H new ATOM 0 HA TYR A 79 10.284 -8.274 8.910 1.00 0.00 H new ATOM 0 HB2 TYR A 79 9.152 -9.957 11.187 1.00 0.00 H new ATOM 0 HB3 TYR A 79 10.855 -9.956 10.776 1.00 0.00 H new ATOM 0 HD1 TYR A 79 12.025 -7.594 10.745 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.355 -8.397 12.755 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.390 -5.644 12.190 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.715 -6.441 14.195 1.00 0.00 H new ATOM 0 HH TYR A 79 11.432 -4.231 13.663 1.00 0.00 H new ATOM 1183 N VAL A 80 8.870 -11.262 8.720 1.00 0.00 N ATOM 1184 CA VAL A 80 8.948 -12.571 8.072 1.00 0.00 C ATOM 1185 C VAL A 80 8.684 -12.491 6.564 1.00 0.00 C ATOM 1186 O VAL A 80 9.043 -13.400 5.814 1.00 0.00 O ATOM 1187 CB VAL A 80 7.976 -13.581 8.723 1.00 0.00 C ATOM 1188 CG1 VAL A 80 8.409 -13.889 10.148 1.00 0.00 C ATOM 1189 CG2 VAL A 80 6.550 -13.055 8.710 1.00 0.00 C ATOM 0 H VAL A 80 8.094 -11.166 9.374 1.00 0.00 H new ATOM 0 HA VAL A 80 9.970 -12.922 8.215 1.00 0.00 H new ATOM 0 HB VAL A 80 8.004 -14.500 8.138 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.715 -14.602 10.593 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.412 -14.316 10.139 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.411 -12.970 10.734 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.888 -13.786 9.174 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.503 -12.118 9.266 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.235 -12.883 7.681 1.00 0.00 H new ATOM 1199 N ASP A 81 8.047 -11.413 6.129 1.00 0.00 N ATOM 1200 CA ASP A 81 7.726 -11.233 4.713 1.00 0.00 C ATOM 1201 C ASP A 81 8.770 -10.355 4.037 1.00 0.00 C ATOM 1202 O ASP A 81 9.091 -10.545 2.865 1.00 0.00 O ATOM 1203 CB ASP A 81 6.357 -10.567 4.539 1.00 0.00 C ATOM 1204 CG ASP A 81 5.193 -11.370 5.088 1.00 0.00 C ATOM 1205 OD1 ASP A 81 5.343 -12.031 6.126 1.00 0.00 O ATOM 1206 OD2 ASP A 81 4.091 -11.285 4.516 1.00 0.00 O ATOM 0 H ASP A 81 7.741 -10.649 6.732 1.00 0.00 H new ATOM 0 HA ASP A 81 7.713 -12.222 4.256 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.375 -9.594 5.031 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.188 -10.385 3.478 1.00 0.00 H new ATOM 1211 N GLU A 82 9.275 -9.386 4.798 1.00 0.00 N ATOM 1212 CA GLU A 82 10.183 -8.356 4.294 1.00 0.00 C ATOM 1213 C GLU A 82 9.470 -7.454 3.294 1.00 0.00 C ATOM 1214 O GLU A 82 10.080 -6.928 2.364 1.00 0.00 O ATOM 1215 CB GLU A 82 11.448 -8.957 3.675 1.00 0.00 C ATOM 1216 CG GLU A 82 12.375 -9.596 4.694 1.00 0.00 C ATOM 1217 CD GLU A 82 13.773 -9.795 4.153 1.00 0.00 C ATOM 1218 OE1 GLU A 82 14.588 -8.852 4.247 1.00 0.00 O ATOM 1219 OE2 GLU A 82 14.065 -10.890 3.628 1.00 0.00 O ATOM 0 H GLU A 82 9.064 -9.292 5.791 1.00 0.00 H new ATOM 0 HA GLU A 82 10.496 -7.754 5.147 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.161 -9.706 2.936 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.990 -8.175 3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.418 -8.970 5.585 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.966 -10.559 5.000 1.00 0.00 H new ATOM 1226 N VAL A 83 8.175 -7.262 3.508 1.00 0.00 N ATOM 1227 CA VAL A 83 7.389 -6.371 2.668 1.00 0.00 C ATOM 1228 C VAL A 83 6.815 -5.222 3.490 1.00 0.00 C ATOM 1229 O VAL A 83 6.410 -5.403 4.646 1.00 0.00 O ATOM 1230 CB VAL A 83 6.240 -7.106 1.938 1.00 0.00 C ATOM 1231 CG1 VAL A 83 6.789 -8.184 1.017 1.00 0.00 C ATOM 1232 CG2 VAL A 83 5.242 -7.696 2.927 1.00 0.00 C ATOM 0 H VAL A 83 7.648 -7.712 4.256 1.00 0.00 H new ATOM 0 HA VAL A 83 8.069 -5.979 1.911 1.00 0.00 H new ATOM 0 HB VAL A 83 5.710 -6.373 1.330 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.964 -8.688 0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.443 -7.729 0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.354 -8.909 1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.447 -8.205 2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.751 -8.408 3.576 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.813 -6.897 3.531 1.00 0.00 H new ATOM 1242 N MET A 84 6.817 -4.040 2.894 1.00 0.00 N ATOM 1243 CA MET A 84 6.256 -2.851 3.518 1.00 0.00 C ATOM 1244 C MET A 84 4.944 -2.472 2.840 1.00 0.00 C ATOM 1245 O MET A 84 4.922 -2.124 1.658 1.00 0.00 O ATOM 1246 CB MET A 84 7.251 -1.692 3.425 1.00 0.00 C ATOM 1247 CG MET A 84 6.760 -0.406 4.066 1.00 0.00 C ATOM 1248 SD MET A 84 7.938 0.950 3.890 1.00 0.00 S ATOM 1249 CE MET A 84 8.126 1.009 2.107 1.00 0.00 C ATOM 0 H MET A 84 7.207 -3.877 1.966 1.00 0.00 H new ATOM 0 HA MET A 84 6.059 -3.063 4.569 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.186 -1.990 3.900 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.474 -1.501 2.375 1.00 0.00 H new ATOM 0 HG2 MET A 84 5.811 -0.119 3.614 1.00 0.00 H new ATOM 0 HG3 MET A 84 6.569 -0.582 5.125 1.00 0.00 H new ATOM 0 HE1 MET A 84 8.520 1.982 1.815 1.00 0.00 H new ATOM 0 HE2 MET A 84 8.815 0.227 1.788 1.00 0.00 H new ATOM 0 HE3 MET A 84 7.157 0.853 1.634 1.00 0.00 H new ATOM 1259 N PHE A 85 3.853 -2.547 3.583 1.00 0.00 N ATOM 1260 CA PHE A 85 2.539 -2.254 3.028 1.00 0.00 C ATOM 1261 C PHE A 85 1.992 -0.937 3.572 1.00 0.00 C ATOM 1262 O PHE A 85 2.537 -0.370 4.522 1.00 0.00 O ATOM 1263 CB PHE A 85 1.564 -3.407 3.302 1.00 0.00 C ATOM 1264 CG PHE A 85 1.555 -3.890 4.725 1.00 0.00 C ATOM 1265 CD1 PHE A 85 0.799 -3.244 5.688 1.00 0.00 C ATOM 1266 CD2 PHE A 85 2.299 -5.000 5.095 1.00 0.00 C ATOM 1267 CE1 PHE A 85 0.785 -3.694 6.993 1.00 0.00 C ATOM 1268 CE2 PHE A 85 2.289 -5.454 6.400 1.00 0.00 C ATOM 1269 CZ PHE A 85 1.530 -4.801 7.350 1.00 0.00 C ATOM 0 H PHE A 85 3.849 -2.807 4.569 1.00 0.00 H new ATOM 0 HA PHE A 85 2.647 -2.148 1.948 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.557 -3.086 3.034 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.817 -4.243 2.649 1.00 0.00 H new ATOM 0 HD1 PHE A 85 0.214 -2.378 5.415 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.893 -5.516 4.355 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.191 -3.180 7.735 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.874 -6.319 6.676 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.519 -5.155 8.370 1.00 0.00 H new ATOM 1279 N ASP A 86 0.915 -0.460 2.961 1.00 0.00 N ATOM 1280 CA ASP A 86 0.323 0.827 3.317 1.00 0.00 C ATOM 1281 C ASP A 86 -0.607 0.705 4.521 1.00 0.00 C ATOM 1282 O ASP A 86 -1.456 -0.185 4.576 1.00 0.00 O ATOM 1283 CB ASP A 86 -0.445 1.400 2.122 1.00 0.00 C ATOM 1284 CG ASP A 86 -1.297 2.599 2.492 1.00 0.00 C ATOM 1285 OD1 ASP A 86 -0.743 3.599 2.993 1.00 0.00 O ATOM 1286 OD2 ASP A 86 -2.526 2.551 2.268 1.00 0.00 O ATOM 0 H ASP A 86 0.429 -0.949 2.210 1.00 0.00 H new ATOM 0 HA ASP A 86 1.135 1.502 3.587 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.263 1.689 1.345 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.082 0.623 1.699 1.00 0.00 H new ATOM 1291 N LEU A 87 -0.437 1.608 5.477 1.00 0.00 N ATOM 1292 CA LEU A 87 -1.283 1.658 6.666 1.00 0.00 C ATOM 1293 C LEU A 87 -1.689 3.094 6.975 1.00 0.00 C ATOM 1294 O LEU A 87 -2.121 3.389 8.079 1.00 0.00 O ATOM 1295 CB LEU A 87 -0.553 1.073 7.882 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.467 -0.452 7.937 1.00 0.00 C ATOM 1297 CD1 LEU A 87 0.314 -0.893 9.165 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -1.859 -1.064 7.954 1.00 0.00 C ATOM 0 H LEU A 87 0.288 2.325 5.453 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.173 1.063 6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.460 1.476 7.902 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.053 1.422 8.785 1.00 0.00 H new ATOM 0 HG LEU A 87 0.055 -0.800 7.045 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.367 -1.981 9.191 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.322 -0.481 9.122 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.187 -0.533 10.064 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.778 -2.150 7.993 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.402 -0.709 8.830 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.396 -0.772 7.051 1.00 0.00 H new ATOM 1310 N SER A 88 -1.574 3.975 5.987 1.00 0.00 N ATOM 1311 CA SER A 88 -1.785 5.410 6.190 1.00 0.00 C ATOM 1312 C SER A 88 -3.132 5.716 6.859 1.00 0.00 C ATOM 1313 O SER A 88 -3.210 6.554 7.760 1.00 0.00 O ATOM 1314 CB SER A 88 -1.686 6.140 4.848 1.00 0.00 C ATOM 1315 OG SER A 88 -1.746 7.547 5.011 1.00 0.00 O ATOM 0 H SER A 88 -1.334 3.721 5.029 1.00 0.00 H new ATOM 0 HA SER A 88 -1.006 5.764 6.865 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.752 5.870 4.355 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.496 5.814 4.196 1.00 0.00 H new ATOM 0 HG SER A 88 -1.678 7.981 4.135 1.00 0.00 H new ATOM 1321 N ASP A 89 -4.180 5.020 6.439 1.00 0.00 N ATOM 1322 CA ASP A 89 -5.528 5.288 6.939 1.00 0.00 C ATOM 1323 C ASP A 89 -5.782 4.607 8.278 1.00 0.00 C ATOM 1324 O ASP A 89 -6.748 4.927 8.973 1.00 0.00 O ATOM 1325 CB ASP A 89 -6.580 4.806 5.937 1.00 0.00 C ATOM 1326 CG ASP A 89 -6.564 5.576 4.634 1.00 0.00 C ATOM 1327 OD1 ASP A 89 -5.736 5.251 3.756 1.00 0.00 O ATOM 1328 OD2 ASP A 89 -7.399 6.492 4.470 1.00 0.00 O ATOM 0 H ASP A 89 -4.126 4.266 5.754 1.00 0.00 H new ATOM 0 HA ASP A 89 -5.605 6.367 7.073 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.415 3.749 5.728 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.568 4.891 6.389 1.00 0.00 H new ATOM 1333 N ARG A 90 -4.919 3.671 8.645 1.00 0.00 N ATOM 1334 CA ARG A 90 -5.168 2.833 9.811 1.00 0.00 C ATOM 1335 C ARG A 90 -3.984 2.834 10.767 1.00 0.00 C ATOM 1336 O ARG A 90 -3.914 2.005 11.672 1.00 0.00 O ATOM 1337 CB ARG A 90 -5.476 1.403 9.362 1.00 0.00 C ATOM 1338 CG ARG A 90 -6.700 1.310 8.467 1.00 0.00 C ATOM 1339 CD ARG A 90 -6.948 -0.107 7.983 1.00 0.00 C ATOM 1340 NE ARG A 90 -8.148 -0.187 7.151 1.00 0.00 N ATOM 1341 CZ ARG A 90 -8.250 -0.925 6.048 1.00 0.00 C ATOM 1342 NH1 ARG A 90 -7.223 -1.655 5.628 1.00 0.00 N ATOM 1343 NH2 ARG A 90 -9.384 -0.925 5.363 1.00 0.00 N ATOM 0 H ARG A 90 -4.046 3.473 8.157 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.025 3.244 10.344 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.613 1.002 8.830 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.628 0.777 10.241 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.575 1.665 9.012 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.571 1.969 7.608 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.086 -0.454 7.414 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.053 -0.772 8.840 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.961 0.359 7.435 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.348 -1.653 6.152 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.310 -2.218 4.782 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.172 -0.362 5.682 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.469 -1.488 4.517 1.00 0.00 H new ATOM 1357 N MET A 91 -3.068 3.774 10.576 1.00 0.00 N ATOM 1358 CA MET A 91 -1.860 3.837 11.391 1.00 0.00 C ATOM 1359 C MET A 91 -2.172 4.367 12.784 1.00 0.00 C ATOM 1360 O MET A 91 -3.232 4.952 13.018 1.00 0.00 O ATOM 1361 CB MET A 91 -0.788 4.707 10.725 1.00 0.00 C ATOM 1362 CG MET A 91 -1.166 6.174 10.605 1.00 0.00 C ATOM 1363 SD MET A 91 0.159 7.175 9.899 1.00 0.00 S ATOM 1364 CE MET A 91 1.448 6.937 11.121 1.00 0.00 C ATOM 0 H MET A 91 -3.137 4.503 9.865 1.00 0.00 H new ATOM 0 HA MET A 91 -1.472 2.823 11.482 1.00 0.00 H new ATOM 0 HB2 MET A 91 0.137 4.627 11.297 1.00 0.00 H new ATOM 0 HB3 MET A 91 -0.583 4.313 9.730 1.00 0.00 H new ATOM 0 HG2 MET A 91 -2.057 6.266 9.984 1.00 0.00 H new ATOM 0 HG3 MET A 91 -1.423 6.561 11.591 1.00 0.00 H new ATOM 0 HE1 MET A 91 2.005 7.865 11.248 1.00 0.00 H new ATOM 0 HE2 MET A 91 0.999 6.650 12.072 1.00 0.00 H new ATOM 0 HE3 MET A 91 2.125 6.151 10.787 1.00 0.00 H new ATOM 1374 N THR A 92 -1.252 4.146 13.704 1.00 0.00 N ATOM 1375 CA THR A 92 -1.431 4.557 15.083 1.00 0.00 C ATOM 1376 C THR A 92 -0.998 6.008 15.282 1.00 0.00 C ATOM 1377 O THR A 92 0.133 6.382 14.957 1.00 0.00 O ATOM 1378 CB THR A 92 -0.623 3.650 16.028 1.00 0.00 C ATOM 1379 OG1 THR A 92 -0.728 2.287 15.594 1.00 0.00 O ATOM 1380 CG2 THR A 92 -1.127 3.770 17.457 1.00 0.00 C ATOM 0 H THR A 92 -0.364 3.679 13.518 1.00 0.00 H new ATOM 0 HA THR A 92 -2.492 4.469 15.318 1.00 0.00 H new ATOM 0 HB THR A 92 0.420 3.966 16.002 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.149 2.146 14.816 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.540 3.120 18.106 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.028 4.802 17.792 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.175 3.474 17.499 1.00 0.00 H new ATOM 1388 N PRO A 93 -1.903 6.849 15.799 1.00 0.00 N ATOM 1389 CA PRO A 93 -1.594 8.244 16.107 1.00 0.00 C ATOM 1390 C PRO A 93 -0.632 8.364 17.287 1.00 0.00 C ATOM 1391 O PRO A 93 -0.821 7.728 18.326 1.00 0.00 O ATOM 1392 CB PRO A 93 -2.957 8.847 16.460 1.00 0.00 C ATOM 1393 CG PRO A 93 -3.784 7.690 16.905 1.00 0.00 C ATOM 1394 CD PRO A 93 -3.302 6.506 16.115 1.00 0.00 C ATOM 0 HA PRO A 93 -1.100 8.749 15.277 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -2.866 9.594 17.248 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -3.404 9.344 15.599 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.669 7.517 17.975 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.843 7.875 16.724 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.368 5.584 16.693 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.893 6.359 15.211 1.00 0.00 H new ATOM 1402 N HIS A 94 0.405 9.169 17.116 1.00 0.00 N ATOM 1403 CA HIS A 94 1.376 9.392 18.177 1.00 0.00 C ATOM 1404 C HIS A 94 0.785 10.317 19.236 1.00 0.00 C ATOM 1405 O HIS A 94 0.272 11.390 18.922 1.00 0.00 O ATOM 1406 CB HIS A 94 2.690 9.966 17.614 1.00 0.00 C ATOM 1407 CG HIS A 94 2.549 11.285 16.906 1.00 0.00 C ATOM 1408 ND1 HIS A 94 2.200 11.394 15.577 1.00 0.00 N ATOM 1409 CD2 HIS A 94 2.717 12.554 17.351 1.00 0.00 C ATOM 1410 CE1 HIS A 94 2.160 12.669 15.238 1.00 0.00 C ATOM 1411 NE2 HIS A 94 2.468 13.394 16.297 1.00 0.00 N ATOM 0 H HIS A 94 0.596 9.679 16.253 1.00 0.00 H new ATOM 0 HA HIS A 94 1.610 8.434 18.641 1.00 0.00 H new ATOM 0 HB2 HIS A 94 3.399 10.083 18.433 1.00 0.00 H new ATOM 0 HB3 HIS A 94 3.119 9.242 16.922 1.00 0.00 H new ATOM 0 HD2 HIS A 94 2.996 12.849 18.352 1.00 0.00 H new ATOM 0 HE1 HIS A 94 1.916 13.054 14.259 1.00 0.00 H new ATOM 0 HE2 HIS A 94 2.513 14.413 16.326 1.00 0.00 H new ATOM 1420 N ASN A 95 0.852 9.895 20.491 1.00 0.00 N ATOM 1421 CA ASN A 95 0.257 10.660 21.584 1.00 0.00 C ATOM 1422 C ASN A 95 1.280 11.594 22.218 1.00 0.00 C ATOM 1423 O ASN A 95 1.079 12.102 23.321 1.00 0.00 O ATOM 1424 CB ASN A 95 -0.341 9.725 22.645 1.00 0.00 C ATOM 1425 CG ASN A 95 0.680 8.785 23.265 1.00 0.00 C ATOM 1426 OD1 ASN A 95 1.354 9.130 24.234 1.00 0.00 O ATOM 1427 ND2 ASN A 95 0.781 7.579 22.726 1.00 0.00 N ATOM 0 H ASN A 95 1.310 9.031 20.780 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.547 11.266 21.165 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -0.797 10.325 23.433 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -1.138 9.136 22.192 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.435 6.900 23.115 1.00 0.00 H new ATOM 0 HD22 ASN A 95 0.205 7.330 21.922 1.00 0.00 H new ATOM 1434 N GLY A 96 2.368 11.830 21.507 1.00 0.00 N ATOM 1435 CA GLY A 96 3.392 12.728 21.988 1.00 0.00 C ATOM 1436 C GLY A 96 4.421 13.022 20.923 1.00 0.00 C ATOM 1437 O GLY A 96 4.534 12.271 19.952 1.00 0.00 O ATOM 0 H GLY A 96 2.561 11.411 20.597 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.933 13.660 22.318 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.882 12.289 22.857 1.00 0.00 H new ATOM 1441 N PRO A 97 5.177 14.116 21.070 1.00 0.00 N ATOM 1442 CA PRO A 97 6.199 14.507 20.101 1.00 0.00 C ATOM 1443 C PRO A 97 7.488 13.704 20.256 1.00 0.00 C ATOM 1444 O PRO A 97 7.791 13.190 21.335 1.00 0.00 O ATOM 1445 CB PRO A 97 6.441 15.976 20.434 1.00 0.00 C ATOM 1446 CG PRO A 97 6.165 16.078 21.895 1.00 0.00 C ATOM 1447 CD PRO A 97 5.089 15.068 22.194 1.00 0.00 C ATOM 0 HA PRO A 97 5.881 14.330 19.073 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.464 16.272 20.202 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.782 16.627 19.859 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.064 15.872 22.476 1.00 0.00 H new ATOM 0 HG3 PRO A 97 5.838 17.084 22.160 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.259 14.574 23.151 1.00 0.00 H new ATOM 0 HD3 PRO A 97 4.106 15.535 22.247 1.00 0.00 H new ATOM 1455 N ILE A 98 8.242 13.602 19.175 1.00 0.00 N ATOM 1456 CA ILE A 98 9.496 12.865 19.183 1.00 0.00 C ATOM 1457 C ILE A 98 10.665 13.791 18.861 1.00 0.00 C ATOM 1458 O ILE A 98 10.661 14.466 17.830 1.00 0.00 O ATOM 1459 CB ILE A 98 9.464 11.705 18.163 1.00 0.00 C ATOM 1460 CG1 ILE A 98 8.341 10.725 18.512 1.00 0.00 C ATOM 1461 CG2 ILE A 98 10.807 10.986 18.120 1.00 0.00 C ATOM 1462 CD1 ILE A 98 8.178 9.608 17.506 1.00 0.00 C ATOM 0 H ILE A 98 8.007 14.022 18.276 1.00 0.00 H new ATOM 0 HA ILE A 98 9.629 12.451 20.183 1.00 0.00 H new ATOM 0 HB ILE A 98 9.270 12.120 17.174 1.00 0.00 H new ATOM 0 HG12 ILE A 98 8.539 10.293 19.493 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.402 11.274 18.589 1.00 0.00 H new ATOM 0 HG21 ILE A 98 10.761 10.173 17.395 1.00 0.00 H new ATOM 0 HG22 ILE A 98 11.587 11.689 17.828 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.034 10.581 19.106 1.00 0.00 H new ATOM 0 HD11 ILE A 98 7.365 8.953 17.818 1.00 0.00 H new ATOM 0 HD12 ILE A 98 7.949 10.030 16.528 1.00 0.00 H new ATOM 0 HD13 ILE A 98 9.103 9.035 17.446 1.00 0.00 H new ATOM 1474 N PRO A 99 11.668 13.854 19.752 1.00 0.00 N ATOM 1475 CA PRO A 99 12.879 14.649 19.526 1.00 0.00 C ATOM 1476 C PRO A 99 13.596 14.237 18.242 1.00 0.00 C ATOM 1477 O PRO A 99 13.822 13.049 17.996 1.00 0.00 O ATOM 1478 CB PRO A 99 13.749 14.344 20.749 1.00 0.00 C ATOM 1479 CG PRO A 99 12.797 13.870 21.792 1.00 0.00 C ATOM 1480 CD PRO A 99 11.695 13.165 21.054 1.00 0.00 C ATOM 0 HA PRO A 99 12.657 15.710 19.409 1.00 0.00 H new ATOM 0 HB2 PRO A 99 14.496 13.583 20.522 1.00 0.00 H new ATOM 0 HB3 PRO A 99 14.288 15.231 21.081 1.00 0.00 H new ATOM 0 HG2 PRO A 99 13.290 13.197 22.494 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.406 14.706 22.373 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.902 12.101 20.942 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.742 13.251 21.575 1.00 0.00 H new ATOM 1488 N ARG A 100 13.951 15.219 17.424 1.00 0.00 N ATOM 1489 CA ARG A 100 14.551 14.942 16.126 1.00 0.00 C ATOM 1490 C ARG A 100 16.059 14.762 16.250 1.00 0.00 C ATOM 1491 O ARG A 100 16.798 15.734 16.412 1.00 0.00 O ATOM 1492 CB ARG A 100 14.251 16.072 15.139 1.00 0.00 C ATOM 1493 CG ARG A 100 14.409 15.654 13.687 1.00 0.00 C ATOM 1494 CD ARG A 100 13.266 14.750 13.262 1.00 0.00 C ATOM 1495 NE ARG A 100 13.726 13.562 12.550 1.00 0.00 N ATOM 1496 CZ ARG A 100 13.081 12.400 12.569 1.00 0.00 C ATOM 1497 NH1 ARG A 100 11.942 12.284 13.236 1.00 0.00 N ATOM 1498 NH2 ARG A 100 13.564 11.360 11.906 1.00 0.00 N ATOM 0 H ARG A 100 13.835 16.210 17.635 1.00 0.00 H new ATOM 0 HA ARG A 100 14.115 14.016 15.752 1.00 0.00 H new ATOM 0 HB2 ARG A 100 13.233 16.426 15.300 1.00 0.00 H new ATOM 0 HB3 ARG A 100 14.916 16.911 15.344 1.00 0.00 H new ATOM 0 HG2 ARG A 100 14.437 16.538 13.050 1.00 0.00 H new ATOM 0 HG3 ARG A 100 15.358 15.135 13.554 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.702 14.445 14.143 1.00 0.00 H new ATOM 0 HD3 ARG A 100 12.583 15.310 12.624 1.00 0.00 H new ATOM 0 HE ARG A 100 14.588 13.627 12.009 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.559 13.087 13.735 1.00 0.00 H new ATOM 0 HH12 ARG A 100 11.448 11.392 13.250 1.00 0.00 H new ATOM 0 HH21 ARG A 100 14.433 11.450 11.379 1.00 0.00 H new ATOM 0 HH22 ARG A 100 13.067 10.469 11.922 1.00 0.00 H new ATOM 1512 N TYR A 101 16.512 13.519 16.183 1.00 0.00 N ATOM 1513 CA TYR A 101 17.938 13.229 16.257 1.00 0.00 C ATOM 1514 C TYR A 101 18.507 12.926 14.877 1.00 0.00 C ATOM 1515 O TYR A 101 19.722 12.837 14.703 1.00 0.00 O ATOM 1516 CB TYR A 101 18.201 12.053 17.199 1.00 0.00 C ATOM 1517 CG TYR A 101 17.780 12.317 18.627 1.00 0.00 C ATOM 1518 CD1 TYR A 101 18.430 13.274 19.397 1.00 0.00 C ATOM 1519 CD2 TYR A 101 16.733 11.611 19.205 1.00 0.00 C ATOM 1520 CE1 TYR A 101 18.049 13.519 20.701 1.00 0.00 C ATOM 1521 CE2 TYR A 101 16.347 11.851 20.510 1.00 0.00 C ATOM 1522 CZ TYR A 101 17.008 12.806 21.253 1.00 0.00 C ATOM 1523 OH TYR A 101 16.626 13.050 22.552 1.00 0.00 O ATOM 0 H TYR A 101 15.917 12.697 16.078 1.00 0.00 H new ATOM 0 HA TYR A 101 18.437 14.115 16.650 1.00 0.00 H new ATOM 0 HB2 TYR A 101 17.671 11.176 16.829 1.00 0.00 H new ATOM 0 HB3 TYR A 101 19.264 11.814 17.181 1.00 0.00 H new ATOM 0 HD1 TYR A 101 19.247 13.835 18.968 1.00 0.00 H new ATOM 0 HD2 TYR A 101 16.212 10.863 18.626 1.00 0.00 H new ATOM 0 HE1 TYR A 101 18.565 14.266 21.286 1.00 0.00 H new ATOM 0 HE2 TYR A 101 15.531 11.293 20.946 1.00 0.00 H new ATOM 0 HH TYR A 101 15.877 12.464 22.788 1.00 0.00 H new ATOM 1533 N VAL A 102 17.629 12.769 13.900 1.00 0.00 N ATOM 1534 CA VAL A 102 18.047 12.465 12.539 1.00 0.00 C ATOM 1535 C VAL A 102 17.265 13.304 11.532 1.00 0.00 C ATOM 1536 O VAL A 102 17.869 14.212 10.932 1.00 0.00 O ATOM 1537 CB VAL A 102 17.894 10.961 12.207 1.00 0.00 C ATOM 1538 CG1 VAL A 102 19.011 10.151 12.849 1.00 0.00 C ATOM 1539 CG2 VAL A 102 16.543 10.439 12.665 1.00 0.00 C ATOM 1540 OXT VAL A 102 16.048 13.069 11.369 1.00 0.00 O ATOM 0 H VAL A 102 16.620 12.847 14.023 1.00 0.00 H new ATOM 0 HA VAL A 102 19.105 12.716 12.468 1.00 0.00 H new ATOM 0 HB VAL A 102 17.959 10.850 11.125 1.00 0.00 H new ATOM 0 HG11 VAL A 102 18.884 9.097 12.603 1.00 0.00 H new ATOM 0 HG12 VAL A 102 19.974 10.498 12.474 1.00 0.00 H new ATOM 0 HG13 VAL A 102 18.976 10.277 13.931 1.00 0.00 H new ATOM 0 HG21 VAL A 102 16.460 9.380 12.420 1.00 0.00 H new ATOM 0 HG22 VAL A 102 16.448 10.571 13.743 1.00 0.00 H new ATOM 0 HG23 VAL A 102 15.750 10.991 12.161 1.00 0.00 H new TER 1550 VAL A 102 HETATM 1551 ZN ZN A 103 3.287 -11.032 6.397 1.00 0.00 ZN HETATM 1552 ZN ZN A 104 5.133 -6.561 20.104 1.00 0.00 ZN