USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 400 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 18 HIS HE2 : A 18 HIS NE2 : A 181 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0872 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 68:sc= 0.227 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN :FLIP amide:sc= -1.93! C(o=-2.8!,f=-1.9!) USER MOD Single : A 25 THR OG1 : rot -63:sc= 1.28 USER MOD Single : A 26 ASN : amide:sc= -1.21! K(o=-1.2!,f=-2.1) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -165:sc= -0.611 (180deg=-0.825) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -123:sc= 0 (180deg=-0.0507) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.377) USER MOD Single : A 55 ASN : amide:sc= -0.0272 K(o=-0.027,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.556 3.761 15.343 1.00 0.00 N ATOM 2 CA GLY A 1 -12.059 3.659 13.985 1.00 0.00 C ATOM 3 C GLY A 1 -11.488 2.467 13.244 1.00 0.00 C ATOM 4 O GLY A 1 -10.639 1.748 13.771 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.355 3.845 16.004 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.004 2.910 15.574 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.948 4.601 15.426 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.146 3.582 14.008 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.816 4.572 13.441 1.00 0.00 H new ATOM 8 N SER A 2 -11.956 2.255 12.018 1.00 0.00 N ATOM 9 CA SER A 2 -11.491 1.137 11.205 1.00 0.00 C ATOM 10 C SER A 2 -10.062 1.373 10.725 1.00 0.00 C ATOM 11 O SER A 2 -9.728 2.454 10.241 1.00 0.00 O ATOM 12 CB SER A 2 -12.417 0.932 10.004 1.00 0.00 C ATOM 13 OG SER A 2 -13.757 0.736 10.422 1.00 0.00 O ATOM 0 H SER A 2 -12.657 2.843 11.566 1.00 0.00 H new ATOM 0 HA SER A 2 -11.505 0.239 11.823 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.361 1.799 9.345 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.083 0.070 9.426 1.00 0.00 H new ATOM 0 HG SER A 2 -14.329 0.609 9.637 1.00 0.00 H new ATOM 19 N SER A 3 -9.222 0.352 10.863 1.00 0.00 N ATOM 20 CA SER A 3 -7.828 0.448 10.447 1.00 0.00 C ATOM 21 C SER A 3 -7.653 -0.046 9.014 1.00 0.00 C ATOM 22 O SER A 3 -7.094 0.653 8.169 1.00 0.00 O ATOM 23 CB SER A 3 -6.936 -0.363 11.390 1.00 0.00 C ATOM 24 OG SER A 3 -6.823 0.268 12.653 1.00 0.00 O ATOM 0 H SER A 3 -9.483 -0.551 11.260 1.00 0.00 H new ATOM 0 HA SER A 3 -7.533 1.496 10.490 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.349 -1.364 11.516 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.946 -0.480 10.949 1.00 0.00 H new ATOM 0 HG SER A 3 -6.250 -0.270 13.238 1.00 0.00 H new ATOM 30 N GLY A 4 -8.135 -1.256 8.748 1.00 0.00 N ATOM 31 CA GLY A 4 -8.023 -1.823 7.417 1.00 0.00 C ATOM 32 C GLY A 4 -8.447 -0.850 6.334 1.00 0.00 C ATOM 33 O GLY A 4 -8.973 0.223 6.627 1.00 0.00 O ATOM 0 H GLY A 4 -8.601 -1.854 9.431 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.992 -2.130 7.242 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.638 -2.721 7.355 1.00 0.00 H new ATOM 37 N SER A 5 -8.216 -1.226 5.080 1.00 0.00 N ATOM 38 CA SER A 5 -8.573 -0.376 3.950 1.00 0.00 C ATOM 39 C SER A 5 -10.037 0.047 4.029 1.00 0.00 C ATOM 40 O SER A 5 -10.912 -0.762 4.339 1.00 0.00 O ATOM 41 CB SER A 5 -8.313 -1.108 2.632 1.00 0.00 C ATOM 42 OG SER A 5 -6.931 -1.115 2.318 1.00 0.00 O ATOM 0 H SER A 5 -7.784 -2.113 4.821 1.00 0.00 H new ATOM 0 HA SER A 5 -7.952 0.519 3.990 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.678 -2.132 2.703 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.870 -0.626 1.828 1.00 0.00 H new ATOM 0 HG SER A 5 -6.790 -1.590 1.472 1.00 0.00 H new ATOM 48 N SER A 6 -10.295 1.320 3.748 1.00 0.00 N ATOM 49 CA SER A 6 -11.652 1.853 3.790 1.00 0.00 C ATOM 50 C SER A 6 -12.457 1.386 2.582 1.00 0.00 C ATOM 51 O SER A 6 -13.621 1.008 2.706 1.00 0.00 O ATOM 52 CB SER A 6 -11.621 3.382 3.837 1.00 0.00 C ATOM 53 OG SER A 6 -11.522 3.850 5.171 1.00 0.00 O ATOM 0 H SER A 6 -9.582 2.002 3.489 1.00 0.00 H new ATOM 0 HA SER A 6 -12.135 1.479 4.693 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.775 3.750 3.256 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.523 3.781 3.374 1.00 0.00 H new ATOM 0 HG SER A 6 -11.502 4.830 5.173 1.00 0.00 H new ATOM 59 N GLY A 7 -11.827 1.415 1.411 1.00 0.00 N ATOM 60 CA GLY A 7 -12.499 0.992 0.196 1.00 0.00 C ATOM 61 C GLY A 7 -12.924 -0.462 0.245 1.00 0.00 C ATOM 62 O GLY A 7 -13.568 -0.896 1.201 1.00 0.00 O ATOM 0 H GLY A 7 -10.863 1.724 1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.376 1.618 0.033 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.835 1.145 -0.655 1.00 0.00 H new ATOM 66 N TYR A 8 -12.567 -1.216 -0.789 1.00 0.00 N ATOM 67 CA TYR A 8 -12.919 -2.629 -0.862 1.00 0.00 C ATOM 68 C TYR A 8 -12.073 -3.348 -1.908 1.00 0.00 C ATOM 69 O TYR A 8 -11.363 -2.716 -2.692 1.00 0.00 O ATOM 70 CB TYR A 8 -14.404 -2.789 -1.194 1.00 0.00 C ATOM 71 CG TYR A 8 -14.694 -2.816 -2.678 1.00 0.00 C ATOM 72 CD1 TYR A 8 -14.510 -3.976 -3.420 1.00 0.00 C ATOM 73 CD2 TYR A 8 -15.149 -1.682 -3.338 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.773 -4.006 -4.776 1.00 0.00 C ATOM 75 CE2 TYR A 8 -15.416 -1.702 -4.693 1.00 0.00 C ATOM 76 CZ TYR A 8 -15.226 -2.867 -5.408 1.00 0.00 C ATOM 77 OH TYR A 8 -15.489 -2.891 -6.758 1.00 0.00 O ATOM 0 H TYR A 8 -12.034 -0.872 -1.588 1.00 0.00 H new ATOM 0 HA TYR A 8 -12.720 -3.078 0.111 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -14.771 -3.711 -0.744 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.960 -1.969 -0.739 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.155 -4.870 -2.928 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -15.297 -0.768 -2.782 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.625 -4.916 -5.338 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -15.771 -0.811 -5.190 1.00 0.00 H new ATOM 0 HH TYR A 8 -16.265 -3.465 -6.930 1.00 0.00 H new ATOM 87 N THR A 9 -12.154 -4.675 -1.915 1.00 0.00 N ATOM 88 CA THR A 9 -11.396 -5.482 -2.863 1.00 0.00 C ATOM 89 C THR A 9 -12.131 -6.775 -3.195 1.00 0.00 C ATOM 90 O THR A 9 -12.879 -7.305 -2.372 1.00 0.00 O ATOM 91 CB THR A 9 -9.997 -5.825 -2.316 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.381 -4.651 -1.776 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.117 -6.409 -3.411 1.00 0.00 C ATOM 0 H THR A 9 -12.737 -5.214 -1.275 1.00 0.00 H new ATOM 0 HA THR A 9 -11.287 -4.886 -3.769 1.00 0.00 H new ATOM 0 HB THR A 9 -10.111 -6.569 -1.528 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.493 -4.878 -1.429 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.134 -6.643 -3.002 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.575 -7.319 -3.799 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.010 -5.684 -4.218 1.00 0.00 H new ATOM 101 N CYS A 10 -11.913 -7.281 -4.404 1.00 0.00 N ATOM 102 CA CYS A 10 -12.554 -8.513 -4.845 1.00 0.00 C ATOM 103 C CYS A 10 -12.322 -9.638 -3.840 1.00 0.00 C ATOM 104 O CYS A 10 -11.190 -10.075 -3.633 1.00 0.00 O ATOM 105 CB CYS A 10 -12.023 -8.925 -6.220 1.00 0.00 C ATOM 106 SG CYS A 10 -12.685 -10.510 -6.828 1.00 0.00 S ATOM 0 H CYS A 10 -11.296 -6.856 -5.096 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.626 -8.329 -4.917 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.264 -8.143 -6.940 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.936 -8.991 -6.173 1.00 0.00 H new ATOM 111 N PHE A 11 -13.401 -10.101 -3.218 1.00 0.00 N ATOM 112 CA PHE A 11 -13.315 -11.173 -2.234 1.00 0.00 C ATOM 113 C PHE A 11 -13.141 -12.526 -2.918 1.00 0.00 C ATOM 114 O PHE A 11 -12.972 -13.551 -2.257 1.00 0.00 O ATOM 115 CB PHE A 11 -14.568 -11.191 -1.357 1.00 0.00 C ATOM 116 CG PHE A 11 -14.473 -12.137 -0.194 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.587 -11.894 0.843 1.00 0.00 C ATOM 118 CD2 PHE A 11 -15.270 -13.269 -0.139 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.497 -12.764 1.913 1.00 0.00 C ATOM 120 CE2 PHE A 11 -15.185 -14.142 0.929 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.298 -13.888 1.957 1.00 0.00 C ATOM 0 H PHE A 11 -14.345 -9.750 -3.378 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.443 -10.987 -1.607 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.754 -10.185 -0.982 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.426 -11.466 -1.970 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.960 -11.015 0.815 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -15.966 -13.471 -0.940 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -12.801 -12.565 2.714 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -15.811 -15.021 0.960 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.231 -14.567 2.794 1.00 0.00 H new ATOM 131 N ARG A 12 -13.185 -12.521 -4.247 1.00 0.00 N ATOM 132 CA ARG A 12 -13.034 -13.747 -5.021 1.00 0.00 C ATOM 133 C ARG A 12 -11.565 -14.151 -5.119 1.00 0.00 C ATOM 134 O ARG A 12 -11.153 -15.171 -4.566 1.00 0.00 O ATOM 135 CB ARG A 12 -13.618 -13.565 -6.423 1.00 0.00 C ATOM 136 CG ARG A 12 -14.029 -14.870 -7.085 1.00 0.00 C ATOM 137 CD ARG A 12 -14.805 -14.623 -8.369 1.00 0.00 C ATOM 138 NE ARG A 12 -15.093 -15.864 -9.082 1.00 0.00 N ATOM 139 CZ ARG A 12 -15.943 -16.785 -8.641 1.00 0.00 C ATOM 140 NH1 ARG A 12 -16.586 -16.604 -7.496 1.00 0.00 N ATOM 141 NH2 ARG A 12 -16.153 -17.889 -9.347 1.00 0.00 N ATOM 0 H ARG A 12 -13.324 -11.682 -4.809 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.578 -14.540 -4.508 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.486 -12.908 -6.364 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.882 -13.064 -7.052 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.141 -15.464 -7.304 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.640 -15.452 -6.395 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.740 -14.114 -8.135 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.233 -13.958 -9.016 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.615 -16.033 -9.967 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.429 -15.756 -6.951 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -17.238 -17.313 -7.160 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.662 -18.031 -10.229 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -16.806 -18.595 -9.007 1.00 0.00 H new ATOM 155 N CYS A 13 -10.781 -13.344 -5.826 1.00 0.00 N ATOM 156 CA CYS A 13 -9.359 -13.617 -5.998 1.00 0.00 C ATOM 157 C CYS A 13 -8.527 -12.810 -5.006 1.00 0.00 C ATOM 158 O CYS A 13 -7.478 -13.261 -4.548 1.00 0.00 O ATOM 159 CB CYS A 13 -8.926 -13.291 -7.428 1.00 0.00 C ATOM 160 SG CYS A 13 -9.061 -11.527 -7.863 1.00 0.00 S ATOM 0 H CYS A 13 -11.106 -12.495 -6.289 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.192 -14.677 -5.808 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.893 -13.610 -7.565 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.533 -13.873 -8.122 1.00 0.00 H new ATOM 165 N GLY A 14 -9.003 -11.612 -4.679 1.00 0.00 N ATOM 166 CA GLY A 14 -8.291 -10.761 -3.743 1.00 0.00 C ATOM 167 C GLY A 14 -7.502 -9.670 -4.438 1.00 0.00 C ATOM 168 O GLY A 14 -6.374 -9.364 -4.049 1.00 0.00 O ATOM 0 H GLY A 14 -9.869 -11.216 -5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.004 -10.307 -3.054 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.614 -11.371 -3.145 1.00 0.00 H new ATOM 172 N LYS A 15 -8.093 -9.080 -5.472 1.00 0.00 N ATOM 173 CA LYS A 15 -7.439 -8.016 -6.224 1.00 0.00 C ATOM 174 C LYS A 15 -8.345 -6.795 -6.339 1.00 0.00 C ATOM 175 O LYS A 15 -9.538 -6.902 -6.624 1.00 0.00 O ATOM 176 CB LYS A 15 -7.054 -8.513 -7.619 1.00 0.00 C ATOM 177 CG LYS A 15 -5.898 -9.498 -7.617 1.00 0.00 C ATOM 178 CD LYS A 15 -4.562 -8.792 -7.770 1.00 0.00 C ATOM 179 CE LYS A 15 -4.179 -8.635 -9.234 1.00 0.00 C ATOM 180 NZ LYS A 15 -2.734 -8.317 -9.398 1.00 0.00 N ATOM 0 H LYS A 15 -9.025 -9.321 -5.808 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.536 -7.726 -5.686 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.922 -8.985 -8.079 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.790 -7.657 -8.240 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.905 -10.067 -6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.027 -10.213 -8.429 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.612 -7.810 -7.299 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.789 -9.357 -7.249 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.412 -9.555 -9.771 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.778 -7.843 -9.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.513 -8.218 -10.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.517 -7.426 -8.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.161 -9.084 -8.992 1.00 0.00 H new ATOM 194 N PRO A 16 -7.768 -5.605 -6.116 1.00 0.00 N ATOM 195 CA PRO A 16 -8.505 -4.340 -6.191 1.00 0.00 C ATOM 196 C PRO A 16 -8.906 -3.987 -7.619 1.00 0.00 C ATOM 197 O PRO A 16 -8.649 -4.747 -8.552 1.00 0.00 O ATOM 198 CB PRO A 16 -7.508 -3.315 -5.646 1.00 0.00 C ATOM 199 CG PRO A 16 -6.169 -3.916 -5.903 1.00 0.00 C ATOM 200 CD PRO A 16 -6.350 -5.403 -5.772 1.00 0.00 C ATOM 0 HA PRO A 16 -9.442 -4.380 -5.635 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.614 -2.354 -6.149 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.665 -3.137 -4.582 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.808 -3.653 -6.897 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.433 -3.548 -5.189 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.691 -5.949 -6.447 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.128 -5.747 -4.762 1.00 0.00 H new ATOM 208 N GLY A 17 -9.537 -2.829 -7.783 1.00 0.00 N ATOM 209 CA GLY A 17 -9.962 -2.395 -9.101 1.00 0.00 C ATOM 210 C GLY A 17 -11.304 -2.978 -9.498 1.00 0.00 C ATOM 211 O GLY A 17 -12.100 -2.321 -10.170 1.00 0.00 O ATOM 0 H GLY A 17 -9.762 -2.183 -7.026 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.022 -1.307 -9.120 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.211 -2.686 -9.836 1.00 0.00 H new ATOM 215 N HIS A 18 -11.557 -4.215 -9.083 1.00 0.00 N ATOM 216 CA HIS A 18 -12.812 -4.887 -9.400 1.00 0.00 C ATOM 217 C HIS A 18 -13.389 -5.571 -8.165 1.00 0.00 C ATOM 218 O HIS A 18 -12.743 -5.635 -7.119 1.00 0.00 O ATOM 219 CB HIS A 18 -12.598 -5.913 -10.514 1.00 0.00 C ATOM 220 CG HIS A 18 -11.793 -7.101 -10.087 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.419 -7.158 -10.197 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.174 -8.281 -9.544 1.00 0.00 C ATOM 223 CE1 HIS A 18 -9.991 -8.323 -9.743 1.00 0.00 C ATOM 224 NE2 HIS A 18 -11.037 -9.022 -9.341 1.00 0.00 N ATOM 0 H HIS A 18 -10.909 -4.773 -8.526 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.523 -4.135 -9.741 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.569 -6.253 -10.875 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.098 -5.428 -11.352 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.826 -6.417 -10.570 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.185 -8.583 -9.313 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.962 -8.648 -9.707 1.00 0.00 H new ATOM 232 N TYR A 19 -14.609 -6.082 -8.293 1.00 0.00 N ATOM 233 CA TYR A 19 -15.274 -6.759 -7.187 1.00 0.00 C ATOM 234 C TYR A 19 -15.513 -8.230 -7.513 1.00 0.00 C ATOM 235 O TYR A 19 -15.251 -8.680 -8.628 1.00 0.00 O ATOM 236 CB TYR A 19 -16.604 -6.073 -6.867 1.00 0.00 C ATOM 237 CG TYR A 19 -17.316 -5.536 -8.088 1.00 0.00 C ATOM 238 CD1 TYR A 19 -16.741 -4.542 -8.870 1.00 0.00 C ATOM 239 CD2 TYR A 19 -18.565 -6.020 -8.457 1.00 0.00 C ATOM 240 CE1 TYR A 19 -17.389 -4.047 -9.986 1.00 0.00 C ATOM 241 CE2 TYR A 19 -19.219 -5.533 -9.572 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.627 -4.546 -10.333 1.00 0.00 C ATOM 243 OH TYR A 19 -19.276 -4.056 -11.443 1.00 0.00 O ATOM 0 H TYR A 19 -15.157 -6.040 -9.152 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.623 -6.700 -6.315 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.257 -6.783 -6.359 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.423 -5.253 -6.172 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.771 -4.149 -8.601 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.033 -6.790 -7.862 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.928 -3.274 -10.583 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.188 -5.923 -9.847 1.00 0.00 H new ATOM 0 HH TYR A 19 -20.136 -4.514 -11.548 1.00 0.00 H new ATOM 253 N ILE A 20 -16.012 -8.973 -6.531 1.00 0.00 N ATOM 254 CA ILE A 20 -16.289 -10.393 -6.713 1.00 0.00 C ATOM 255 C ILE A 20 -17.328 -10.615 -7.806 1.00 0.00 C ATOM 256 O ILE A 20 -17.354 -11.664 -8.449 1.00 0.00 O ATOM 257 CB ILE A 20 -16.787 -11.041 -5.407 1.00 0.00 C ATOM 258 CG1 ILE A 20 -17.082 -12.525 -5.630 1.00 0.00 C ATOM 259 CG2 ILE A 20 -18.026 -10.320 -4.898 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.832 -13.381 -4.408 1.00 0.00 C ATOM 0 H ILE A 20 -16.233 -8.616 -5.601 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.350 -10.862 -7.007 1.00 0.00 H new ATOM 0 HB ILE A 20 -16.004 -10.954 -4.653 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.122 -12.638 -5.936 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.466 -12.890 -6.452 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.366 -10.789 -3.975 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.786 -9.274 -4.707 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.815 -10.379 -5.647 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -17.062 -14.421 -4.639 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.786 -13.298 -4.113 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.468 -13.042 -3.590 1.00 0.00 H new ATOM 272 N LYS A 21 -18.182 -9.618 -8.015 1.00 0.00 N ATOM 273 CA LYS A 21 -19.222 -9.702 -9.033 1.00 0.00 C ATOM 274 C LYS A 21 -18.663 -9.360 -10.411 1.00 0.00 C ATOM 275 O LYS A 21 -19.139 -9.864 -11.427 1.00 0.00 O ATOM 276 CB LYS A 21 -20.376 -8.757 -8.691 1.00 0.00 C ATOM 277 CG LYS A 21 -20.619 -8.610 -7.199 1.00 0.00 C ATOM 278 CD LYS A 21 -20.917 -9.950 -6.547 1.00 0.00 C ATOM 279 CE LYS A 21 -22.402 -10.275 -6.596 1.00 0.00 C ATOM 280 NZ LYS A 21 -22.826 -11.104 -5.433 1.00 0.00 N ATOM 0 H LYS A 21 -18.174 -8.742 -7.492 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.593 -10.727 -9.054 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.168 -7.775 -9.115 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.287 -9.123 -9.165 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -19.743 -8.163 -6.729 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -21.453 -7.929 -7.031 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -20.355 -10.735 -7.053 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -20.581 -9.934 -5.510 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -22.976 -9.349 -6.611 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -22.628 -10.805 -7.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -23.844 -11.304 -5.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -22.296 -11.999 -5.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -22.634 -10.588 -4.551 1.00 0.00 H new ATOM 294 N ASN A 22 -17.649 -8.501 -10.436 1.00 0.00 N ATOM 295 CA ASN A 22 -17.024 -8.093 -11.690 1.00 0.00 C ATOM 296 C ASN A 22 -15.639 -8.716 -11.836 1.00 0.00 C ATOM 297 O ASN A 22 -14.823 -8.261 -12.638 1.00 0.00 O ATOM 298 CB ASN A 22 -16.920 -6.568 -11.759 1.00 0.00 C ATOM 299 CG ASN A 22 -16.007 -6.101 -12.876 1.00 0.00 C ATOM 300 OD1 ASN A 22 -15.001 -5.308 -12.525 1.00 0.00 O flip ATOM 301 ND2 ASN A 22 -16.204 -6.449 -14.040 1.00 0.00 N flip ATOM 0 H ASN A 22 -17.243 -8.074 -9.603 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.649 -8.446 -12.510 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.914 -6.145 -11.905 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.549 -6.188 -10.807 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -16.990 -7.060 -14.264 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -15.581 -6.127 -14.781 1.00 0.00 H new ATOM 308 N CYS A 23 -15.381 -9.759 -11.055 1.00 0.00 N ATOM 309 CA CYS A 23 -14.095 -10.446 -11.096 1.00 0.00 C ATOM 310 C CYS A 23 -13.909 -11.172 -12.426 1.00 0.00 C ATOM 311 O CYS A 23 -14.810 -11.844 -12.926 1.00 0.00 O ATOM 312 CB CYS A 23 -13.988 -11.442 -9.940 1.00 0.00 C ATOM 313 SG CYS A 23 -12.395 -12.322 -9.862 1.00 0.00 S ATOM 0 H CYS A 23 -16.045 -10.148 -10.386 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.308 -9.698 -10.996 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -14.144 -10.911 -9.001 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.791 -12.174 -10.029 1.00 0.00 H new ATOM 318 N PRO A 24 -12.710 -11.034 -13.012 1.00 0.00 N ATOM 319 CA PRO A 24 -12.376 -11.669 -14.290 1.00 0.00 C ATOM 320 C PRO A 24 -12.252 -13.184 -14.169 1.00 0.00 C ATOM 321 O PRO A 24 -12.747 -13.928 -15.016 1.00 0.00 O ATOM 322 CB PRO A 24 -11.025 -11.049 -14.652 1.00 0.00 C ATOM 323 CG PRO A 24 -10.432 -10.644 -13.347 1.00 0.00 C ATOM 324 CD PRO A 24 -11.589 -10.247 -12.472 1.00 0.00 C ATOM 0 HA PRO A 24 -13.149 -11.506 -15.041 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.388 -11.765 -15.171 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.147 -10.192 -15.314 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.870 -11.465 -12.902 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.737 -9.814 -13.475 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.400 -10.483 -11.425 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.786 -9.176 -12.527 1.00 0.00 H new ATOM 332 N THR A 25 -11.588 -13.637 -13.110 1.00 0.00 N ATOM 333 CA THR A 25 -11.398 -15.063 -12.879 1.00 0.00 C ATOM 334 C THR A 25 -12.621 -15.859 -13.319 1.00 0.00 C ATOM 335 O THR A 25 -12.498 -16.969 -13.834 1.00 0.00 O ATOM 336 CB THR A 25 -11.114 -15.358 -11.394 1.00 0.00 C ATOM 337 OG1 THR A 25 -12.297 -15.140 -10.616 1.00 0.00 O ATOM 338 CG2 THR A 25 -9.989 -14.478 -10.872 1.00 0.00 C ATOM 0 H THR A 25 -11.173 -13.036 -12.398 1.00 0.00 H new ATOM 0 HA THR A 25 -10.537 -15.368 -13.474 1.00 0.00 H new ATOM 0 HB THR A 25 -10.808 -16.401 -11.306 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.557 -14.197 -10.673 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.807 -14.705 -9.822 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.082 -14.668 -11.446 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.270 -13.430 -10.973 1.00 0.00 H new ATOM 346 N ASN A 26 -13.801 -15.283 -13.114 1.00 0.00 N ATOM 347 CA ASN A 26 -15.048 -15.940 -13.490 1.00 0.00 C ATOM 348 C ASN A 26 -15.018 -16.364 -14.956 1.00 0.00 C ATOM 349 O ASN A 26 -15.090 -15.528 -15.856 1.00 0.00 O ATOM 350 CB ASN A 26 -16.235 -15.008 -13.241 1.00 0.00 C ATOM 351 CG ASN A 26 -16.499 -14.791 -11.764 1.00 0.00 C ATOM 352 OD1 ASN A 26 -17.182 -15.588 -11.120 1.00 0.00 O ATOM 353 ND2 ASN A 26 -15.958 -13.707 -11.219 1.00 0.00 N ATOM 0 H ASN A 26 -13.920 -14.363 -12.690 1.00 0.00 H new ATOM 0 HA ASN A 26 -15.160 -16.832 -12.874 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -16.045 -14.047 -13.719 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -17.126 -15.426 -13.709 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -16.102 -13.508 -10.229 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -15.399 -13.074 -11.791 1.00 0.00 H new ATOM 360 N GLY A 27 -14.913 -17.669 -15.187 1.00 0.00 N ATOM 361 CA GLY A 27 -14.876 -18.181 -16.544 1.00 0.00 C ATOM 362 C GLY A 27 -13.476 -18.188 -17.124 1.00 0.00 C ATOM 363 O GLY A 27 -13.274 -17.825 -18.283 1.00 0.00 O ATOM 0 H GLY A 27 -14.853 -18.381 -14.459 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.276 -19.195 -16.557 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.524 -17.574 -17.176 1.00 0.00 H new ATOM 367 N ASP A 28 -12.505 -18.600 -16.316 1.00 0.00 N ATOM 368 CA ASP A 28 -11.115 -18.652 -16.755 1.00 0.00 C ATOM 369 C ASP A 28 -10.725 -20.072 -17.156 1.00 0.00 C ATOM 370 O ASP A 28 -11.470 -21.022 -16.920 1.00 0.00 O ATOM 371 CB ASP A 28 -10.189 -18.148 -15.648 1.00 0.00 C ATOM 372 CG ASP A 28 -8.896 -17.574 -16.191 1.00 0.00 C ATOM 373 OD1 ASP A 28 -8.945 -16.876 -17.226 1.00 0.00 O ATOM 374 OD2 ASP A 28 -7.833 -17.823 -15.583 1.00 0.00 O ATOM 0 H ASP A 28 -12.655 -18.903 -15.354 1.00 0.00 H new ATOM 0 HA ASP A 28 -11.010 -18.006 -17.627 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.706 -17.385 -15.066 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.961 -18.968 -14.967 1.00 0.00 H new ATOM 379 N LYS A 29 -9.551 -20.207 -17.763 1.00 0.00 N ATOM 380 CA LYS A 29 -9.059 -21.510 -18.197 1.00 0.00 C ATOM 381 C LYS A 29 -7.854 -21.941 -17.367 1.00 0.00 C ATOM 382 O LYS A 29 -7.645 -23.130 -17.131 1.00 0.00 O ATOM 383 CB LYS A 29 -8.683 -21.468 -19.679 1.00 0.00 C ATOM 384 CG LYS A 29 -9.876 -21.575 -20.613 1.00 0.00 C ATOM 385 CD LYS A 29 -9.441 -21.642 -22.068 1.00 0.00 C ATOM 386 CE LYS A 29 -10.553 -21.195 -23.003 1.00 0.00 C ATOM 387 NZ LYS A 29 -11.499 -22.304 -23.311 1.00 0.00 N ATOM 0 H LYS A 29 -8.922 -19.430 -17.966 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.857 -22.239 -18.052 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.154 -20.538 -19.885 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.991 -22.282 -19.893 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.455 -22.464 -20.364 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.531 -20.716 -20.467 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.564 -21.012 -22.216 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.145 -22.662 -22.314 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.099 -20.368 -22.549 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.119 -20.820 -23.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.242 -21.959 -23.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.983 -23.083 -23.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.933 -22.645 -22.429 1.00 0.00 H new ATOM 401 N ASN A 30 -7.066 -20.965 -16.927 1.00 0.00 N ATOM 402 CA ASN A 30 -5.882 -21.244 -16.122 1.00 0.00 C ATOM 403 C ASN A 30 -6.209 -21.184 -14.633 1.00 0.00 C ATOM 404 O ASN A 30 -6.031 -22.162 -13.907 1.00 0.00 O ATOM 405 CB ASN A 30 -4.769 -20.247 -16.452 1.00 0.00 C ATOM 406 CG ASN A 30 -4.738 -19.882 -17.923 1.00 0.00 C ATOM 407 OD1 ASN A 30 -4.812 -20.751 -18.792 1.00 0.00 O ATOM 408 ND2 ASN A 30 -4.627 -18.590 -18.210 1.00 0.00 N ATOM 0 H ASN A 30 -7.226 -19.975 -17.114 1.00 0.00 H new ATOM 0 HA ASN A 30 -5.541 -22.251 -16.360 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.907 -19.343 -15.859 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -3.807 -20.672 -16.166 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.600 -18.284 -19.183 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.569 -17.904 -17.458 1.00 0.00 H new ATOM 415 N PHE A 31 -6.690 -20.029 -14.185 1.00 0.00 N ATOM 416 CA PHE A 31 -7.042 -19.840 -12.783 1.00 0.00 C ATOM 417 C PHE A 31 -8.171 -20.782 -12.374 1.00 0.00 C ATOM 418 O PHE A 31 -9.304 -20.647 -12.836 1.00 0.00 O ATOM 419 CB PHE A 31 -7.457 -18.389 -12.530 1.00 0.00 C ATOM 420 CG PHE A 31 -7.175 -17.920 -11.131 1.00 0.00 C ATOM 421 CD1 PHE A 31 -5.882 -17.921 -10.634 1.00 0.00 C ATOM 422 CD2 PHE A 31 -8.203 -17.480 -10.314 1.00 0.00 C ATOM 423 CE1 PHE A 31 -5.619 -17.489 -9.347 1.00 0.00 C ATOM 424 CE2 PHE A 31 -7.946 -17.047 -9.027 1.00 0.00 C ATOM 425 CZ PHE A 31 -6.653 -17.053 -8.542 1.00 0.00 C ATOM 0 H PHE A 31 -6.845 -19.210 -14.773 1.00 0.00 H new ATOM 0 HA PHE A 31 -6.164 -20.070 -12.180 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.934 -17.742 -13.234 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.523 -18.284 -12.732 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.070 -18.263 -11.259 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.217 -17.475 -10.687 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.606 -17.493 -8.972 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.756 -16.704 -8.401 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.451 -16.718 -7.536 1.00 0.00 H new ATOM 435 N GLU A 32 -7.852 -21.737 -11.506 1.00 0.00 N ATOM 436 CA GLU A 32 -8.839 -22.702 -11.036 1.00 0.00 C ATOM 437 C GLU A 32 -8.856 -22.765 -9.511 1.00 0.00 C ATOM 438 O GLU A 32 -7.861 -23.125 -8.883 1.00 0.00 O ATOM 439 CB GLU A 32 -8.542 -24.089 -11.611 1.00 0.00 C ATOM 440 CG GLU A 32 -7.080 -24.489 -11.512 1.00 0.00 C ATOM 441 CD GLU A 32 -6.831 -25.911 -11.975 1.00 0.00 C ATOM 442 OE1 GLU A 32 -7.494 -26.831 -11.452 1.00 0.00 O ATOM 443 OE2 GLU A 32 -5.973 -26.104 -12.862 1.00 0.00 O ATOM 0 H GLU A 32 -6.919 -21.863 -11.114 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.821 -22.376 -11.380 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.148 -24.828 -11.087 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.846 -24.112 -12.657 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.479 -23.805 -12.111 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.748 -24.384 -10.479 1.00 0.00 H new ATOM 450 N SER A 33 -9.994 -22.411 -8.923 1.00 0.00 N ATOM 451 CA SER A 33 -10.141 -22.422 -7.473 1.00 0.00 C ATOM 452 C SER A 33 -10.104 -23.849 -6.934 1.00 0.00 C ATOM 453 O SER A 33 -10.588 -24.780 -7.577 1.00 0.00 O ATOM 454 CB SER A 33 -11.451 -21.745 -7.066 1.00 0.00 C ATOM 455 OG SER A 33 -12.557 -22.606 -7.277 1.00 0.00 O ATOM 0 H SER A 33 -10.828 -22.113 -9.429 1.00 0.00 H new ATOM 0 HA SER A 33 -9.306 -21.868 -7.044 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.405 -21.458 -6.015 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.584 -20.829 -7.641 1.00 0.00 H new ATOM 0 HG SER A 33 -13.382 -22.151 -7.008 1.00 0.00 H new ATOM 461 N GLY A 34 -9.526 -24.013 -5.748 1.00 0.00 N ATOM 462 CA GLY A 34 -9.436 -25.328 -5.141 1.00 0.00 C ATOM 463 C GLY A 34 -9.962 -25.348 -3.720 1.00 0.00 C ATOM 464 O GLY A 34 -9.557 -24.551 -2.874 1.00 0.00 O ATOM 0 H GLY A 34 -9.118 -23.258 -5.196 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.998 -26.042 -5.743 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.397 -25.656 -5.145 1.00 0.00 H new ATOM 468 N PRO A 35 -10.887 -26.278 -3.440 1.00 0.00 N ATOM 469 CA PRO A 35 -11.490 -26.421 -2.111 1.00 0.00 C ATOM 470 C PRO A 35 -10.501 -26.955 -1.081 1.00 0.00 C ATOM 471 O PRO A 35 -9.472 -27.531 -1.434 1.00 0.00 O ATOM 472 CB PRO A 35 -12.620 -27.428 -2.340 1.00 0.00 C ATOM 473 CG PRO A 35 -12.190 -28.215 -3.530 1.00 0.00 C ATOM 474 CD PRO A 35 -11.417 -27.262 -4.399 1.00 0.00 C ATOM 0 HA PRO A 35 -11.828 -25.465 -1.712 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -12.761 -28.070 -1.470 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -13.569 -26.924 -2.521 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.572 -29.063 -3.235 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.051 -28.619 -4.063 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.617 -27.769 -4.938 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -12.056 -26.791 -5.146 1.00 0.00 H new ATOM 482 N ARG A 36 -10.820 -26.760 0.195 1.00 0.00 N ATOM 483 CA ARG A 36 -9.958 -27.221 1.277 1.00 0.00 C ATOM 484 C ARG A 36 -10.779 -27.565 2.516 1.00 0.00 C ATOM 485 O ARG A 36 -11.982 -27.307 2.567 1.00 0.00 O ATOM 486 CB ARG A 36 -8.919 -26.153 1.621 1.00 0.00 C ATOM 487 CG ARG A 36 -9.519 -24.783 1.890 1.00 0.00 C ATOM 488 CD ARG A 36 -8.548 -23.669 1.533 1.00 0.00 C ATOM 489 NE ARG A 36 -7.666 -23.333 2.647 1.00 0.00 N ATOM 490 CZ ARG A 36 -6.496 -22.721 2.500 1.00 0.00 C ATOM 491 NH1 ARG A 36 -6.070 -22.380 1.291 1.00 0.00 N ATOM 492 NH2 ARG A 36 -5.749 -22.450 3.562 1.00 0.00 N ATOM 0 H ARG A 36 -11.669 -26.286 0.504 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.445 -28.122 0.940 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.358 -26.473 2.499 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.207 -26.073 0.800 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.436 -24.667 1.312 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.793 -24.705 2.942 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.948 -23.972 0.675 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.107 -22.783 1.234 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.965 -23.582 3.590 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.641 -22.588 0.472 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.171 -21.910 1.181 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.073 -22.712 4.493 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.851 -21.980 3.447 1.00 0.00 H new ATOM 506 N ILE A 37 -10.121 -28.149 3.512 1.00 0.00 N ATOM 507 CA ILE A 37 -10.789 -28.528 4.751 1.00 0.00 C ATOM 508 C ILE A 37 -10.687 -27.418 5.792 1.00 0.00 C ATOM 509 O ILE A 37 -11.543 -27.292 6.668 1.00 0.00 O ATOM 510 CB ILE A 37 -10.197 -29.823 5.337 1.00 0.00 C ATOM 511 CG1 ILE A 37 -11.047 -30.312 6.511 1.00 0.00 C ATOM 512 CG2 ILE A 37 -8.758 -29.596 5.776 1.00 0.00 C ATOM 513 CD1 ILE A 37 -12.368 -30.917 6.091 1.00 0.00 C ATOM 0 H ILE A 37 -9.126 -28.370 3.485 1.00 0.00 H new ATOM 0 HA ILE A 37 -11.837 -28.697 4.505 1.00 0.00 H new ATOM 0 HB ILE A 37 -10.203 -30.591 4.563 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.481 -31.053 7.075 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -11.237 -29.476 7.184 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.353 -30.520 6.188 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.160 -29.289 4.918 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.728 -28.816 6.537 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.917 -31.242 6.975 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -12.954 -30.172 5.553 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.186 -31.774 5.442 1.00 0.00 H new ATOM 525 N LYS A 38 -9.635 -26.614 5.689 1.00 0.00 N ATOM 526 CA LYS A 38 -9.420 -25.511 6.619 1.00 0.00 C ATOM 527 C LYS A 38 -10.307 -24.321 6.267 1.00 0.00 C ATOM 528 O LYS A 38 -10.236 -23.788 5.159 1.00 0.00 O ATOM 529 CB LYS A 38 -7.950 -25.087 6.609 1.00 0.00 C ATOM 530 CG LYS A 38 -7.576 -24.160 7.752 1.00 0.00 C ATOM 531 CD LYS A 38 -6.356 -23.320 7.414 1.00 0.00 C ATOM 532 CE LYS A 38 -6.254 -22.097 8.312 1.00 0.00 C ATOM 533 NZ LYS A 38 -5.073 -21.256 7.972 1.00 0.00 N ATOM 0 H LYS A 38 -8.917 -26.705 4.970 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.685 -25.855 7.619 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.323 -25.978 6.655 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.730 -24.591 5.664 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.417 -23.506 7.981 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.377 -24.748 8.648 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.456 -23.926 7.519 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.408 -23.004 6.372 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.162 -21.502 8.219 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.186 -22.415 9.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.039 -20.433 8.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.204 -21.816 8.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.150 -20.931 6.987 1.00 0.00 H new ATOM 547 N LYS A 39 -11.140 -23.909 7.215 1.00 0.00 N ATOM 548 CA LYS A 39 -12.039 -22.779 7.006 1.00 0.00 C ATOM 549 C LYS A 39 -12.085 -21.885 8.241 1.00 0.00 C ATOM 550 O LYS A 39 -11.480 -22.196 9.267 1.00 0.00 O ATOM 551 CB LYS A 39 -13.447 -23.277 6.671 1.00 0.00 C ATOM 552 CG LYS A 39 -13.576 -23.833 5.264 1.00 0.00 C ATOM 553 CD LYS A 39 -13.742 -22.724 4.239 1.00 0.00 C ATOM 554 CE LYS A 39 -13.798 -23.277 2.823 1.00 0.00 C ATOM 555 NZ LYS A 39 -12.513 -23.917 2.427 1.00 0.00 N ATOM 0 H LYS A 39 -11.212 -24.340 8.137 1.00 0.00 H new ATOM 0 HA LYS A 39 -11.658 -22.193 6.169 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.730 -24.050 7.386 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.153 -22.456 6.794 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -12.692 -24.423 5.023 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.432 -24.506 5.215 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.655 -22.166 4.449 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -12.913 -22.022 4.324 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.605 -24.006 2.749 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.032 -22.471 2.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.495 -24.052 1.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.720 -23.307 2.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.425 -24.840 2.898 1.00 0.00 H new ATOM 569 N SER A 40 -12.806 -20.774 8.135 1.00 0.00 N ATOM 570 CA SER A 40 -12.929 -19.833 9.243 1.00 0.00 C ATOM 571 C SER A 40 -13.555 -20.507 10.460 1.00 0.00 C ATOM 572 O SER A 40 -14.273 -21.500 10.336 1.00 0.00 O ATOM 573 CB SER A 40 -13.771 -18.627 8.824 1.00 0.00 C ATOM 574 OG SER A 40 -13.284 -18.057 7.621 1.00 0.00 O ATOM 0 H SER A 40 -13.314 -20.503 7.293 1.00 0.00 H new ATOM 0 HA SER A 40 -11.929 -19.493 9.512 1.00 0.00 H new ATOM 0 HB2 SER A 40 -14.809 -18.933 8.691 1.00 0.00 H new ATOM 0 HB3 SER A 40 -13.758 -17.878 9.616 1.00 0.00 H new ATOM 0 HG SER A 40 -13.841 -17.289 7.374 1.00 0.00 H new ATOM 580 N THR A 41 -13.278 -19.959 11.639 1.00 0.00 N ATOM 581 CA THR A 41 -13.811 -20.505 12.880 1.00 0.00 C ATOM 582 C THR A 41 -15.289 -20.853 12.738 1.00 0.00 C ATOM 583 O THR A 41 -15.691 -21.997 12.951 1.00 0.00 O ATOM 584 CB THR A 41 -13.639 -19.517 14.049 1.00 0.00 C ATOM 585 OG1 THR A 41 -12.274 -19.094 14.136 1.00 0.00 O ATOM 586 CG2 THR A 41 -14.061 -20.155 15.364 1.00 0.00 C ATOM 0 H THR A 41 -12.687 -19.137 11.760 1.00 0.00 H new ATOM 0 HA THR A 41 -13.245 -21.412 13.094 1.00 0.00 H new ATOM 0 HB THR A 41 -14.276 -18.653 13.861 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.173 -18.465 14.881 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.931 -19.438 16.175 1.00 0.00 H new ATOM 0 HG22 THR A 41 -15.109 -20.450 15.306 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.447 -21.035 15.555 1.00 0.00 H new ATOM 594 N GLY A 42 -16.094 -19.859 12.375 1.00 0.00 N ATOM 595 CA GLY A 42 -17.518 -20.081 12.209 1.00 0.00 C ATOM 596 C GLY A 42 -18.103 -20.942 13.312 1.00 0.00 C ATOM 597 O GLY A 42 -18.171 -22.165 13.184 1.00 0.00 O ATOM 0 H GLY A 42 -15.785 -18.904 12.193 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -18.033 -19.120 12.191 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -17.698 -20.558 11.246 1.00 0.00 H new ATOM 601 N ILE A 43 -18.525 -20.303 14.398 1.00 0.00 N ATOM 602 CA ILE A 43 -19.106 -21.018 15.527 1.00 0.00 C ATOM 603 C ILE A 43 -20.581 -20.672 15.697 1.00 0.00 C ATOM 604 O ILE A 43 -21.027 -19.570 15.377 1.00 0.00 O ATOM 605 CB ILE A 43 -18.362 -20.701 16.838 1.00 0.00 C ATOM 606 CG1 ILE A 43 -18.329 -19.190 17.078 1.00 0.00 C ATOM 607 CG2 ILE A 43 -16.950 -21.267 16.795 1.00 0.00 C ATOM 608 CD1 ILE A 43 -17.851 -18.809 18.462 1.00 0.00 C ATOM 0 H ILE A 43 -18.475 -19.291 14.520 1.00 0.00 H new ATOM 0 HA ILE A 43 -19.007 -22.082 15.311 1.00 0.00 H new ATOM 0 HB ILE A 43 -18.896 -21.170 17.665 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -17.678 -18.727 16.337 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -19.328 -18.784 16.923 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -16.437 -21.035 17.728 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -16.995 -22.348 16.665 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -16.405 -20.824 15.961 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -17.853 -17.724 18.562 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -18.516 -19.243 19.209 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -16.839 -19.185 18.614 1.00 0.00 H new ATOM 620 N PRO A 44 -21.359 -21.634 16.215 1.00 0.00 N ATOM 621 CA PRO A 44 -22.796 -21.454 16.442 1.00 0.00 C ATOM 622 C PRO A 44 -23.086 -20.474 17.574 1.00 0.00 C ATOM 623 O PRO A 44 -22.181 -20.068 18.303 1.00 0.00 O ATOM 624 CB PRO A 44 -23.275 -22.859 16.815 1.00 0.00 C ATOM 625 CG PRO A 44 -22.070 -23.535 17.372 1.00 0.00 C ATOM 626 CD PRO A 44 -20.895 -22.972 16.620 1.00 0.00 C ATOM 0 HA PRO A 44 -23.297 -21.036 15.569 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -24.081 -22.821 17.547 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -23.660 -23.390 15.944 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -21.976 -23.346 18.441 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -22.134 -24.616 17.244 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -20.006 -22.916 17.248 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -20.638 -23.587 15.757 1.00 0.00 H new ATOM 634 N ARG A 45 -24.353 -20.098 17.715 1.00 0.00 N ATOM 635 CA ARG A 45 -24.761 -19.165 18.758 1.00 0.00 C ATOM 636 C ARG A 45 -24.110 -17.801 18.552 1.00 0.00 C ATOM 637 O ARG A 45 -23.800 -17.098 19.514 1.00 0.00 O ATOM 638 CB ARG A 45 -24.392 -19.715 20.137 1.00 0.00 C ATOM 639 CG ARG A 45 -24.961 -21.097 20.414 1.00 0.00 C ATOM 640 CD ARG A 45 -26.430 -21.027 20.802 1.00 0.00 C ATOM 641 NE ARG A 45 -26.826 -22.145 21.653 1.00 0.00 N ATOM 642 CZ ARG A 45 -26.577 -22.200 22.957 1.00 0.00 C ATOM 643 NH1 ARG A 45 -25.938 -21.205 23.556 1.00 0.00 N ATOM 644 NH2 ARG A 45 -26.969 -23.252 23.664 1.00 0.00 N ATOM 0 H ARG A 45 -25.114 -20.425 17.120 1.00 0.00 H new ATOM 0 HA ARG A 45 -25.843 -19.045 18.700 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -23.306 -19.754 20.224 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -24.749 -19.025 20.901 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -24.847 -21.723 19.529 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -24.394 -21.571 21.215 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -26.623 -20.089 21.323 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -27.043 -21.023 19.901 1.00 0.00 H new ATOM 0 HE ARG A 45 -27.321 -22.927 21.223 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -25.636 -20.394 23.016 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -25.748 -21.250 24.557 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -27.462 -24.019 23.207 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -26.778 -23.294 24.665 1.00 0.00 H new ATOM 658 N SER A 46 -23.906 -17.432 17.292 1.00 0.00 N ATOM 659 CA SER A 46 -23.289 -16.154 16.959 1.00 0.00 C ATOM 660 C SER A 46 -23.870 -15.031 17.813 1.00 0.00 C ATOM 661 O SER A 46 -23.170 -14.425 18.624 1.00 0.00 O ATOM 662 CB SER A 46 -23.488 -15.838 15.476 1.00 0.00 C ATOM 663 OG SER A 46 -22.550 -16.537 14.675 1.00 0.00 O ATOM 0 H SER A 46 -24.159 -18.001 16.484 1.00 0.00 H new ATOM 0 HA SER A 46 -22.222 -16.229 17.166 1.00 0.00 H new ATOM 0 HB2 SER A 46 -24.500 -16.109 15.176 1.00 0.00 H new ATOM 0 HB3 SER A 46 -23.383 -14.766 15.312 1.00 0.00 H new ATOM 0 HG SER A 46 -22.699 -16.319 13.731 1.00 0.00 H new ATOM 669 N PHE A 47 -25.157 -14.759 17.623 1.00 0.00 N ATOM 670 CA PHE A 47 -25.835 -13.708 18.374 1.00 0.00 C ATOM 671 C PHE A 47 -27.310 -14.046 18.571 1.00 0.00 C ATOM 672 O PHE A 47 -28.076 -14.112 17.611 1.00 0.00 O ATOM 673 CB PHE A 47 -25.699 -12.367 17.651 1.00 0.00 C ATOM 674 CG PHE A 47 -24.307 -11.803 17.690 1.00 0.00 C ATOM 675 CD1 PHE A 47 -23.763 -11.348 18.880 1.00 0.00 C ATOM 676 CD2 PHE A 47 -23.544 -11.727 16.536 1.00 0.00 C ATOM 677 CE1 PHE A 47 -22.482 -10.829 18.919 1.00 0.00 C ATOM 678 CE2 PHE A 47 -22.263 -11.209 16.569 1.00 0.00 C ATOM 679 CZ PHE A 47 -21.732 -10.759 17.762 1.00 0.00 C ATOM 0 H PHE A 47 -25.751 -15.251 16.956 1.00 0.00 H new ATOM 0 HA PHE A 47 -25.364 -13.634 19.354 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -26.003 -12.491 16.612 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -26.386 -11.650 18.100 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -24.346 -11.399 19.788 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -23.955 -12.076 15.600 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -22.069 -10.479 19.853 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -21.678 -11.156 15.663 1.00 0.00 H new ATOM 0 HZ PHE A 47 -20.732 -10.353 17.790 1.00 0.00 H new ATOM 689 N MET A 48 -27.700 -14.258 19.824 1.00 0.00 N ATOM 690 CA MET A 48 -29.083 -14.588 20.148 1.00 0.00 C ATOM 691 C MET A 48 -29.481 -13.998 21.498 1.00 0.00 C ATOM 692 O MET A 48 -28.627 -13.724 22.341 1.00 0.00 O ATOM 693 CB MET A 48 -29.277 -16.105 20.164 1.00 0.00 C ATOM 694 CG MET A 48 -30.730 -16.533 20.025 1.00 0.00 C ATOM 695 SD MET A 48 -31.472 -15.979 18.478 1.00 0.00 S ATOM 696 CE MET A 48 -30.718 -17.114 17.316 1.00 0.00 C ATOM 0 H MET A 48 -27.078 -14.207 20.631 1.00 0.00 H new ATOM 0 HA MET A 48 -29.723 -14.155 19.379 1.00 0.00 H new ATOM 0 HB2 MET A 48 -28.698 -16.546 19.353 1.00 0.00 H new ATOM 0 HB3 MET A 48 -28.876 -16.505 21.096 1.00 0.00 H new ATOM 0 HG2 MET A 48 -30.792 -17.620 20.085 1.00 0.00 H new ATOM 0 HG3 MET A 48 -31.304 -16.135 20.862 1.00 0.00 H new ATOM 0 HE1 MET A 48 -30.192 -16.550 16.545 1.00 0.00 H new ATOM 0 HE2 MET A 48 -30.011 -17.756 17.841 1.00 0.00 H new ATOM 0 HE3 MET A 48 -31.491 -17.727 16.853 1.00 0.00 H new ATOM 706 N MET A 49 -30.781 -13.807 21.695 1.00 0.00 N ATOM 707 CA MET A 49 -31.290 -13.251 22.943 1.00 0.00 C ATOM 708 C MET A 49 -30.758 -11.839 23.167 1.00 0.00 C ATOM 709 O MET A 49 -30.341 -11.492 24.271 1.00 0.00 O ATOM 710 CB MET A 49 -30.904 -14.147 24.121 1.00 0.00 C ATOM 711 CG MET A 49 -31.426 -15.570 23.999 1.00 0.00 C ATOM 712 SD MET A 49 -30.790 -16.656 25.290 1.00 0.00 S ATOM 713 CE MET A 49 -31.437 -18.237 24.751 1.00 0.00 C ATOM 0 H MET A 49 -31.501 -14.029 21.007 1.00 0.00 H new ATOM 0 HA MET A 49 -32.377 -13.204 22.873 1.00 0.00 H new ATOM 0 HB2 MET A 49 -29.818 -14.173 24.206 1.00 0.00 H new ATOM 0 HB3 MET A 49 -31.285 -13.707 25.042 1.00 0.00 H new ATOM 0 HG2 MET A 49 -32.515 -15.558 24.043 1.00 0.00 H new ATOM 0 HG3 MET A 49 -31.151 -15.971 23.024 1.00 0.00 H new ATOM 0 HE1 MET A 49 -31.128 -19.014 25.450 1.00 0.00 H new ATOM 0 HE2 MET A 49 -32.526 -18.192 24.716 1.00 0.00 H new ATOM 0 HE3 MET A 49 -31.052 -18.468 23.758 1.00 0.00 H new ATOM 723 N GLU A 50 -30.774 -11.031 22.112 1.00 0.00 N ATOM 724 CA GLU A 50 -30.291 -9.657 22.195 1.00 0.00 C ATOM 725 C GLU A 50 -31.355 -8.742 22.793 1.00 0.00 C ATOM 726 O GLU A 50 -31.243 -7.517 22.731 1.00 0.00 O ATOM 727 CB GLU A 50 -29.887 -9.151 20.809 1.00 0.00 C ATOM 728 CG GLU A 50 -28.718 -9.907 20.201 1.00 0.00 C ATOM 729 CD GLU A 50 -27.515 -9.960 21.122 1.00 0.00 C ATOM 730 OE1 GLU A 50 -27.265 -8.961 21.828 1.00 0.00 O ATOM 731 OE2 GLU A 50 -26.824 -11.000 21.138 1.00 0.00 O ATOM 0 H GLU A 50 -31.116 -11.303 21.190 1.00 0.00 H new ATOM 0 HA GLU A 50 -29.418 -9.644 22.847 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -30.744 -9.226 20.140 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -29.629 -8.094 20.879 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -29.032 -10.923 19.961 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -28.432 -9.432 19.263 1.00 0.00 H new ATOM 738 N VAL A 51 -32.388 -9.345 23.373 1.00 0.00 N ATOM 739 CA VAL A 51 -33.472 -8.585 23.984 1.00 0.00 C ATOM 740 C VAL A 51 -33.745 -9.063 25.406 1.00 0.00 C ATOM 741 O VAL A 51 -33.215 -10.085 25.842 1.00 0.00 O ATOM 742 CB VAL A 51 -34.768 -8.695 23.159 1.00 0.00 C ATOM 743 CG1 VAL A 51 -34.572 -8.097 21.774 1.00 0.00 C ATOM 744 CG2 VAL A 51 -35.217 -10.145 23.064 1.00 0.00 C ATOM 0 H VAL A 51 -32.497 -10.357 23.433 1.00 0.00 H new ATOM 0 HA VAL A 51 -33.153 -7.543 24.009 1.00 0.00 H new ATOM 0 HB VAL A 51 -35.550 -8.129 23.665 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -35.498 -8.184 21.206 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -34.300 -7.045 21.867 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -33.777 -8.633 21.256 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -36.134 -10.204 22.478 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -34.439 -10.736 22.581 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -35.400 -10.535 24.065 1.00 0.00 H new ATOM 754 N LYS A 52 -34.577 -8.317 26.125 1.00 0.00 N ATOM 755 CA LYS A 52 -34.924 -8.665 27.498 1.00 0.00 C ATOM 756 C LYS A 52 -33.675 -8.750 28.370 1.00 0.00 C ATOM 757 O LYS A 52 -33.501 -9.702 29.130 1.00 0.00 O ATOM 758 CB LYS A 52 -35.676 -9.997 27.534 1.00 0.00 C ATOM 759 CG LYS A 52 -37.180 -9.851 27.377 1.00 0.00 C ATOM 760 CD LYS A 52 -37.584 -9.792 25.913 1.00 0.00 C ATOM 761 CE LYS A 52 -37.812 -11.183 25.342 1.00 0.00 C ATOM 762 NZ LYS A 52 -38.447 -11.133 23.996 1.00 0.00 N ATOM 0 H LYS A 52 -35.024 -7.467 25.780 1.00 0.00 H new ATOM 0 HA LYS A 52 -35.569 -7.880 27.893 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -35.297 -10.640 26.740 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -35.465 -10.499 28.478 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -37.680 -10.690 27.860 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -37.514 -8.946 27.884 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -38.494 -9.201 25.809 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -36.807 -9.285 25.340 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -36.859 -11.709 25.275 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -38.444 -11.755 26.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -38.240 -12.013 23.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -39.476 -11.028 24.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -38.069 -10.324 23.464 1.00 0.00 H new ATOM 776 N ASP A 53 -32.810 -7.748 28.255 1.00 0.00 N ATOM 777 CA ASP A 53 -31.579 -7.709 29.035 1.00 0.00 C ATOM 778 C ASP A 53 -31.882 -7.702 30.530 1.00 0.00 C ATOM 779 O ASP A 53 -31.290 -8.446 31.312 1.00 0.00 O ATOM 780 CB ASP A 53 -30.754 -6.475 28.663 1.00 0.00 C ATOM 781 CG ASP A 53 -29.365 -6.503 29.272 1.00 0.00 C ATOM 782 OD1 ASP A 53 -28.835 -7.612 29.491 1.00 0.00 O ATOM 783 OD2 ASP A 53 -28.808 -5.415 29.527 1.00 0.00 O ATOM 0 H ASP A 53 -32.939 -6.953 27.630 1.00 0.00 H new ATOM 0 HA ASP A 53 -31.003 -8.605 28.804 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -30.671 -6.410 27.578 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -31.276 -5.578 28.997 1.00 0.00 H new ATOM 788 N PRO A 54 -32.825 -6.840 30.939 1.00 0.00 N ATOM 789 CA PRO A 54 -33.228 -6.715 32.342 1.00 0.00 C ATOM 790 C PRO A 54 -33.992 -7.938 32.838 1.00 0.00 C ATOM 791 O PRO A 54 -34.461 -7.970 33.975 1.00 0.00 O ATOM 792 CB PRO A 54 -34.135 -5.482 32.342 1.00 0.00 C ATOM 793 CG PRO A 54 -34.665 -5.401 30.952 1.00 0.00 C ATOM 794 CD PRO A 54 -33.572 -5.922 30.062 1.00 0.00 C ATOM 0 HA PRO A 54 -32.368 -6.629 33.006 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -34.942 -5.584 33.068 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -33.580 -4.582 32.607 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -35.572 -5.996 30.845 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -34.924 -4.375 30.692 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -33.975 -6.438 29.191 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -32.938 -5.117 29.691 1.00 0.00 H new ATOM 802 N ASN A 55 -34.113 -8.943 31.977 1.00 0.00 N ATOM 803 CA ASN A 55 -34.821 -10.169 32.327 1.00 0.00 C ATOM 804 C ASN A 55 -33.846 -11.331 32.495 1.00 0.00 C ATOM 805 O ASN A 55 -33.087 -11.619 31.570 1.00 0.00 O ATOM 806 CB ASN A 55 -35.857 -10.509 31.254 1.00 0.00 C ATOM 807 CG ASN A 55 -36.918 -11.469 31.759 1.00 0.00 C ATOM 808 OD1 ASN A 55 -36.754 -12.100 32.803 1.00 0.00 O ATOM 809 ND2 ASN A 55 -38.013 -11.583 31.017 1.00 0.00 N ATOM 0 H ASN A 55 -33.730 -8.933 31.032 1.00 0.00 H new ATOM 0 HA ASN A 55 -35.331 -10.006 33.276 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -36.335 -9.592 30.910 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -35.354 -10.948 30.393 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -38.761 -12.213 31.305 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -38.106 -11.040 30.159 1.00 0.00 H new TER 816 ASN A 55 HETATM 817 ZN ZN A 181 -11.090 -10.972 -8.555 1.00 0.00 ZN