USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=16 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+ 180:sc= 0 (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 46:sc= 0.0584 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.17 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=-0.00992 (180deg=-0.00992) USER MOD Single : A 22 ASN :FLIP amide:sc= -4.46! C(o=-5.3!,f=-4.5!) USER MOD Single : A 25 THR OG1 : rot -104:sc= 1.33 USER MOD Single : A 26 ASN : amide:sc= -0.365 K(o=-0.36,f=-1.2) USER MOD Single : A 29 LYS NZ :NH3+ -159:sc= -0.352 (180deg=-0.924) USER MOD Single : A 30 ASN : amide:sc= -0.14 K(o=-0.14,f=-2.4!) 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+ -128:sc= 0 (180deg=-0.527) 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= -0.0998 USER MOD Single : A 48 MET CE :methyl -98:sc= -0.232 (180deg=-2.19!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.273 -1.980 8.885 1.00 0.00 N ATOM 2 CA GLY A 1 -9.487 -2.706 7.905 1.00 0.00 C ATOM 3 C GLY A 1 -7.999 -2.458 8.057 1.00 0.00 C ATOM 4 O GLY A 1 -7.299 -3.225 8.717 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.283 -2.183 8.739 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.995 -2.277 9.842 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.106 -0.959 8.777 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.686 -3.773 8.002 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.801 -2.413 6.903 1.00 0.00 H new ATOM 8 N SER A 2 -7.514 -1.384 7.442 1.00 0.00 N ATOM 9 CA SER A 2 -6.098 -1.040 7.508 1.00 0.00 C ATOM 10 C SER A 2 -5.913 0.455 7.753 1.00 0.00 C ATOM 11 O SER A 2 -6.883 1.211 7.806 1.00 0.00 O ATOM 12 CB SER A 2 -5.392 -1.447 6.213 1.00 0.00 C ATOM 13 OG SER A 2 -5.747 -0.584 5.146 1.00 0.00 O ATOM 0 H SER A 2 -8.080 -0.737 6.893 1.00 0.00 H new ATOM 0 HA SER A 2 -5.655 -1.585 8.342 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.312 -1.423 6.361 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.656 -2.473 5.958 1.00 0.00 H new ATOM 0 HG SER A 2 -5.282 -0.864 4.330 1.00 0.00 H new ATOM 19 N SER A 3 -4.661 0.873 7.903 1.00 0.00 N ATOM 20 CA SER A 3 -4.347 2.276 8.147 1.00 0.00 C ATOM 21 C SER A 3 -3.737 2.920 6.906 1.00 0.00 C ATOM 22 O SER A 3 -2.595 2.639 6.544 1.00 0.00 O ATOM 23 CB SER A 3 -3.384 2.407 9.329 1.00 0.00 C ATOM 24 OG SER A 3 -4.091 2.526 10.551 1.00 0.00 O ATOM 0 H SER A 3 -3.847 0.260 7.860 1.00 0.00 H new ATOM 0 HA SER A 3 -5.276 2.794 8.385 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.729 1.536 9.367 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.746 3.279 9.188 1.00 0.00 H new ATOM 0 HG SER A 3 -3.454 2.607 11.291 1.00 0.00 H new ATOM 30 N GLY A 4 -4.509 3.786 6.256 1.00 0.00 N ATOM 31 CA GLY A 4 -4.029 4.457 5.062 1.00 0.00 C ATOM 32 C GLY A 4 -5.143 4.761 4.080 1.00 0.00 C ATOM 33 O GLY A 4 -5.518 5.919 3.897 1.00 0.00 O ATOM 0 H GLY A 4 -5.458 4.035 6.535 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.535 5.386 5.345 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.280 3.833 4.575 1.00 0.00 H new ATOM 37 N SER A 5 -5.672 3.719 3.447 1.00 0.00 N ATOM 38 CA SER A 5 -6.746 3.881 2.474 1.00 0.00 C ATOM 39 C SER A 5 -7.743 2.731 2.569 1.00 0.00 C ATOM 40 O SER A 5 -7.453 1.608 2.156 1.00 0.00 O ATOM 41 CB SER A 5 -6.173 3.959 1.058 1.00 0.00 C ATOM 42 OG SER A 5 -5.149 4.935 0.975 1.00 0.00 O ATOM 0 H SER A 5 -5.375 2.754 3.590 1.00 0.00 H new ATOM 0 HA SER A 5 -7.268 4.811 2.698 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.776 2.986 0.769 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.968 4.201 0.353 1.00 0.00 H new ATOM 0 HG SER A 5 -4.798 4.964 0.060 1.00 0.00 H new ATOM 48 N SER A 6 -8.919 3.019 3.117 1.00 0.00 N ATOM 49 CA SER A 6 -9.959 2.008 3.270 1.00 0.00 C ATOM 50 C SER A 6 -10.759 1.850 1.980 1.00 0.00 C ATOM 51 O SER A 6 -10.529 2.562 1.004 1.00 0.00 O ATOM 52 CB SER A 6 -10.896 2.380 4.422 1.00 0.00 C ATOM 53 OG SER A 6 -11.688 3.507 4.090 1.00 0.00 O ATOM 0 H SER A 6 -9.176 3.944 3.462 1.00 0.00 H new ATOM 0 HA SER A 6 -9.476 1.057 3.496 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.542 1.534 4.658 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.311 2.593 5.317 1.00 0.00 H new ATOM 0 HG SER A 6 -12.279 3.724 4.841 1.00 0.00 H new ATOM 59 N GLY A 7 -11.700 0.911 1.986 1.00 0.00 N ATOM 60 CA GLY A 7 -12.519 0.676 0.811 1.00 0.00 C ATOM 61 C GLY A 7 -12.993 -0.761 0.714 1.00 0.00 C ATOM 62 O GLY A 7 -13.691 -1.254 1.600 1.00 0.00 O ATOM 0 H GLY A 7 -11.910 0.309 2.783 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.383 1.340 0.835 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.948 0.928 -0.083 1.00 0.00 H new ATOM 66 N TYR A 8 -12.614 -1.435 -0.367 1.00 0.00 N ATOM 67 CA TYR A 8 -13.008 -2.822 -0.580 1.00 0.00 C ATOM 68 C TYR A 8 -12.138 -3.478 -1.647 1.00 0.00 C ATOM 69 O TYR A 8 -11.383 -2.806 -2.350 1.00 0.00 O ATOM 70 CB TYR A 8 -14.481 -2.900 -0.987 1.00 0.00 C ATOM 71 CG TYR A 8 -14.703 -2.782 -2.478 1.00 0.00 C ATOM 72 CD1 TYR A 8 -14.509 -3.873 -3.317 1.00 0.00 C ATOM 73 CD2 TYR A 8 -15.106 -1.581 -3.048 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.710 -3.770 -4.680 1.00 0.00 C ATOM 75 CE2 TYR A 8 -15.311 -1.469 -4.410 1.00 0.00 C ATOM 76 CZ TYR A 8 -15.111 -2.567 -5.222 1.00 0.00 C ATOM 77 OH TYR A 8 -15.313 -2.459 -6.579 1.00 0.00 O ATOM 0 H TYR A 8 -12.034 -1.043 -1.109 1.00 0.00 H new ATOM 0 HA TYR A 8 -12.869 -3.360 0.358 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -14.896 -3.846 -0.640 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -15.032 -2.106 -0.482 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.196 -4.817 -2.896 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -15.262 -0.720 -2.416 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.554 -4.627 -5.318 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -15.626 -0.528 -4.836 1.00 0.00 H new ATOM 0 HH TYR A 8 -15.840 -3.223 -6.893 1.00 0.00 H new ATOM 87 N THR A 9 -12.250 -4.798 -1.764 1.00 0.00 N ATOM 88 CA THR A 9 -11.474 -5.547 -2.744 1.00 0.00 C ATOM 89 C THR A 9 -12.190 -6.831 -3.147 1.00 0.00 C ATOM 90 O THR A 9 -12.999 -7.367 -2.389 1.00 0.00 O ATOM 91 CB THR A 9 -10.076 -5.901 -2.203 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.453 -4.734 -1.656 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.201 -6.481 -3.303 1.00 0.00 C ATOM 0 H THR A 9 -12.871 -5.370 -1.192 1.00 0.00 H new ATOM 0 HA THR A 9 -11.365 -4.905 -3.618 1.00 0.00 H new ATOM 0 HB THR A 9 -10.192 -6.651 -1.420 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.565 -4.968 -1.313 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.219 -6.723 -2.897 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.664 -7.386 -3.697 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.092 -5.750 -4.105 1.00 0.00 H new ATOM 101 N CYS A 10 -11.888 -7.320 -4.345 1.00 0.00 N ATOM 102 CA CYS A 10 -12.503 -8.542 -4.850 1.00 0.00 C ATOM 103 C CYS A 10 -12.305 -9.695 -3.870 1.00 0.00 C ATOM 104 O CYS A 10 -11.190 -10.181 -3.683 1.00 0.00 O ATOM 105 CB CYS A 10 -11.913 -8.909 -6.213 1.00 0.00 C ATOM 106 SG CYS A 10 -12.529 -10.484 -6.890 1.00 0.00 S ATOM 0 H CYS A 10 -11.221 -6.889 -4.985 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.572 -8.362 -4.961 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.135 -8.110 -6.920 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.828 -8.963 -6.125 1.00 0.00 H new ATOM 111 N PHE A 11 -13.396 -10.129 -3.247 1.00 0.00 N ATOM 112 CA PHE A 11 -13.343 -11.224 -2.286 1.00 0.00 C ATOM 113 C PHE A 11 -13.221 -12.568 -2.999 1.00 0.00 C ATOM 114 O PHE A 11 -13.192 -13.621 -2.362 1.00 0.00 O ATOM 115 CB PHE A 11 -14.592 -11.216 -1.402 1.00 0.00 C ATOM 116 CG PHE A 11 -14.472 -12.090 -0.187 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.685 -11.704 0.886 1.00 0.00 C ATOM 118 CD2 PHE A 11 -15.146 -13.298 -0.117 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.572 -12.507 2.005 1.00 0.00 C ATOM 120 CE2 PHE A 11 -15.038 -14.106 1.000 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.250 -13.709 2.062 1.00 0.00 C ATOM 0 H PHE A 11 -14.327 -9.739 -3.391 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.462 -11.082 -1.660 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.797 -10.193 -1.085 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.447 -11.544 -1.993 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.154 -10.765 0.847 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -15.764 -13.613 -0.945 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -12.954 -12.195 2.834 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -15.569 -15.046 1.042 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.164 -14.337 2.936 1.00 0.00 H new ATOM 131 N ARG A 12 -13.149 -12.523 -4.326 1.00 0.00 N ATOM 132 CA ARG A 12 -13.032 -13.735 -5.126 1.00 0.00 C ATOM 133 C ARG A 12 -11.572 -14.160 -5.259 1.00 0.00 C ATOM 134 O ARG A 12 -11.186 -15.242 -4.816 1.00 0.00 O ATOM 135 CB ARG A 12 -13.639 -13.517 -6.513 1.00 0.00 C ATOM 136 CG ARG A 12 -14.066 -14.804 -7.200 1.00 0.00 C ATOM 137 CD ARG A 12 -14.841 -14.523 -8.478 1.00 0.00 C ATOM 138 NE ARG A 12 -15.625 -15.677 -8.909 1.00 0.00 N ATOM 139 CZ ARG A 12 -15.090 -16.776 -9.428 1.00 0.00 C ATOM 140 NH1 ARG A 12 -13.777 -16.870 -9.581 1.00 0.00 N ATOM 141 NH2 ARG A 12 -15.870 -17.785 -9.796 1.00 0.00 N ATOM 0 H ARG A 12 -13.170 -11.660 -4.869 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.579 -14.529 -4.618 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.503 -12.859 -6.423 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.912 -13.003 -7.142 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.186 -15.403 -7.432 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.683 -15.393 -6.521 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.505 -13.673 -8.320 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.146 -14.242 -9.269 1.00 0.00 H new ATOM 0 HE ARG A 12 -16.639 -15.637 -8.806 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.174 -16.097 -9.300 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.369 -17.716 -9.980 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -16.881 -17.717 -9.680 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.458 -18.629 -10.195 1.00 0.00 H new ATOM 155 N CYS A 13 -10.765 -13.300 -5.873 1.00 0.00 N ATOM 156 CA CYS A 13 -9.348 -13.585 -6.065 1.00 0.00 C ATOM 157 C CYS A 13 -8.495 -12.794 -5.078 1.00 0.00 C ATOM 158 O CYS A 13 -7.437 -13.252 -4.649 1.00 0.00 O ATOM 159 CB CYS A 13 -8.930 -13.252 -7.499 1.00 0.00 C ATOM 160 SG CYS A 13 -8.941 -11.471 -7.882 1.00 0.00 S ATOM 0 H CYS A 13 -11.069 -12.400 -6.246 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.189 -14.648 -5.884 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.928 -13.644 -7.675 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.599 -13.765 -8.190 1.00 0.00 H new ATOM 165 N GLY A 14 -8.964 -11.601 -4.722 1.00 0.00 N ATOM 166 CA GLY A 14 -8.232 -10.765 -3.789 1.00 0.00 C ATOM 167 C GLY A 14 -7.479 -9.646 -4.480 1.00 0.00 C ATOM 168 O GLY A 14 -6.370 -9.293 -4.078 1.00 0.00 O ATOM 0 H GLY A 14 -9.837 -11.199 -5.063 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.927 -10.338 -3.066 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.528 -11.381 -3.229 1.00 0.00 H new ATOM 172 N LYS A 15 -8.080 -9.087 -5.525 1.00 0.00 N ATOM 173 CA LYS A 15 -7.460 -8.002 -6.275 1.00 0.00 C ATOM 174 C LYS A 15 -8.389 -6.795 -6.356 1.00 0.00 C ATOM 175 O LYS A 15 -9.580 -6.917 -6.643 1.00 0.00 O ATOM 176 CB LYS A 15 -7.094 -8.473 -7.685 1.00 0.00 C ATOM 177 CG LYS A 15 -5.965 -9.487 -7.713 1.00 0.00 C ATOM 178 CD LYS A 15 -4.611 -8.812 -7.858 1.00 0.00 C ATOM 179 CE LYS A 15 -4.236 -8.623 -9.320 1.00 0.00 C ATOM 180 NZ LYS A 15 -2.864 -8.065 -9.473 1.00 0.00 N ATOM 0 H LYS A 15 -8.997 -9.368 -5.872 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.552 -7.704 -5.751 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.976 -8.910 -8.153 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.810 -7.609 -8.285 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.982 -10.077 -6.797 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.118 -10.180 -8.541 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.631 -7.844 -7.358 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.849 -9.412 -7.360 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.299 -9.580 -9.838 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.955 -7.956 -9.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.646 -7.951 -10.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.811 -7.140 -9.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.175 -8.714 -9.041 1.00 0.00 H new ATOM 194 N PRO A 16 -7.834 -5.601 -6.097 1.00 0.00 N ATOM 195 CA PRO A 16 -8.596 -4.350 -6.137 1.00 0.00 C ATOM 196 C PRO A 16 -9.004 -3.963 -7.554 1.00 0.00 C ATOM 197 O PRO A 16 -8.752 -4.701 -8.506 1.00 0.00 O ATOM 198 CB PRO A 16 -7.618 -3.321 -5.562 1.00 0.00 C ATOM 199 CG PRO A 16 -6.268 -3.889 -5.836 1.00 0.00 C ATOM 200 CD PRO A 16 -6.421 -5.382 -5.748 1.00 0.00 C ATOM 0 HA PRO A 16 -9.532 -4.426 -5.584 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.742 -2.348 -6.037 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.778 -3.177 -4.493 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.912 -3.591 -6.822 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.538 -3.528 -5.111 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.752 -5.896 -6.438 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.192 -5.751 -4.748 1.00 0.00 H new ATOM 208 N GLY A 17 -9.634 -2.800 -7.688 1.00 0.00 N ATOM 209 CA GLY A 17 -10.065 -2.336 -8.994 1.00 0.00 C ATOM 210 C GLY A 17 -11.424 -2.883 -9.383 1.00 0.00 C ATOM 211 O GLY A 17 -12.228 -2.185 -10.003 1.00 0.00 O ATOM 0 H GLY A 17 -9.854 -2.171 -6.916 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.101 -1.247 -8.996 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.330 -2.632 -9.742 1.00 0.00 H new ATOM 215 N HIS A 18 -11.683 -4.135 -9.020 1.00 0.00 N ATOM 216 CA HIS A 18 -12.954 -4.776 -9.337 1.00 0.00 C ATOM 217 C HIS A 18 -13.536 -5.466 -8.107 1.00 0.00 C ATOM 218 O HIS A 18 -12.909 -5.501 -7.048 1.00 0.00 O ATOM 219 CB HIS A 18 -12.771 -5.791 -10.466 1.00 0.00 C ATOM 220 CG HIS A 18 -11.923 -6.965 -10.084 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.546 -6.960 -10.172 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.263 -8.186 -9.608 1.00 0.00 C ATOM 223 CE1 HIS A 18 -10.077 -8.127 -9.769 1.00 0.00 C ATOM 224 NE2 HIS A 18 -11.098 -8.889 -9.421 1.00 0.00 N ATOM 0 H HIS A 18 -11.029 -4.726 -8.506 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.650 -4.003 -9.663 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.750 -6.149 -10.784 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.320 -5.291 -11.323 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.979 -6.177 -10.497 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.264 -8.541 -9.412 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.035 -8.410 -9.731 1.00 0.00 H new ATOM 232 N TYR A 19 -14.738 -6.012 -8.254 1.00 0.00 N ATOM 233 CA TYR A 19 -15.406 -6.697 -7.154 1.00 0.00 C ATOM 234 C TYR A 19 -15.625 -8.171 -7.483 1.00 0.00 C ATOM 235 O TYR A 19 -15.503 -8.585 -8.636 1.00 0.00 O ATOM 236 CB TYR A 19 -16.747 -6.027 -6.847 1.00 0.00 C ATOM 237 CG TYR A 19 -17.467 -5.521 -8.076 1.00 0.00 C ATOM 238 CD1 TYR A 19 -16.891 -4.558 -8.895 1.00 0.00 C ATOM 239 CD2 TYR A 19 -18.723 -6.006 -8.418 1.00 0.00 C ATOM 240 CE1 TYR A 19 -17.545 -4.092 -10.019 1.00 0.00 C ATOM 241 CE2 TYR A 19 -19.384 -5.547 -9.541 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.791 -4.590 -10.338 1.00 0.00 C ATOM 243 OH TYR A 19 -19.447 -4.130 -11.457 1.00 0.00 O ATOM 0 H TYR A 19 -15.270 -5.993 -9.124 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.765 -6.631 -6.275 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.389 -6.739 -6.328 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.579 -5.193 -6.165 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.915 -4.167 -8.649 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.191 -6.754 -7.796 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -17.083 -3.342 -10.644 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.360 -5.935 -9.793 1.00 0.00 H new ATOM 0 HH TYR A 19 -20.312 -4.583 -11.539 1.00 0.00 H new ATOM 253 N ILE A 20 -15.951 -8.956 -6.462 1.00 0.00 N ATOM 254 CA ILE A 20 -16.189 -10.383 -6.642 1.00 0.00 C ATOM 255 C ILE A 20 -17.193 -10.636 -7.761 1.00 0.00 C ATOM 256 O ILE A 20 -17.295 -11.748 -8.280 1.00 0.00 O ATOM 257 CB ILE A 20 -16.707 -11.035 -5.346 1.00 0.00 C ATOM 258 CG1 ILE A 20 -17.090 -12.494 -5.602 1.00 0.00 C ATOM 259 CG2 ILE A 20 -17.895 -10.257 -4.801 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.886 -13.391 -4.401 1.00 0.00 C ATOM 0 H ILE A 20 -16.056 -8.628 -5.502 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.232 -10.832 -6.908 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.911 -11.013 -4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.136 -12.539 -5.906 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.500 -12.876 -6.435 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.250 -10.730 -3.885 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.591 -9.232 -4.586 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.696 -10.251 -5.540 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -17.178 -14.410 -4.654 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.836 -13.376 -4.110 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.497 -13.034 -3.572 1.00 0.00 H new ATOM 272 N LYS A 21 -17.932 -9.596 -8.132 1.00 0.00 N ATOM 273 CA LYS A 21 -18.927 -9.702 -9.193 1.00 0.00 C ATOM 274 C LYS A 21 -18.325 -9.324 -10.542 1.00 0.00 C ATOM 275 O LYS A 21 -18.685 -9.891 -11.573 1.00 0.00 O ATOM 276 CB LYS A 21 -20.127 -8.803 -8.887 1.00 0.00 C ATOM 277 CG LYS A 21 -20.402 -8.640 -7.402 1.00 0.00 C ATOM 278 CD LYS A 21 -21.190 -9.815 -6.849 1.00 0.00 C ATOM 279 CE LYS A 21 -20.477 -11.134 -7.106 1.00 0.00 C ATOM 280 NZ LYS A 21 -20.789 -12.146 -6.059 1.00 0.00 N ATOM 0 H LYS A 21 -17.861 -8.669 -7.713 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.261 -10.738 -9.242 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -19.955 -7.820 -9.326 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.013 -9.217 -9.369 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -19.458 -8.548 -6.864 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -20.956 -7.717 -7.233 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -21.338 -9.683 -5.777 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -22.179 -9.839 -7.307 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -20.769 -11.520 -8.083 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -19.401 -10.965 -7.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -20.284 -13.031 -6.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -20.488 -11.789 -5.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -21.813 -12.327 -6.045 1.00 0.00 H new ATOM 294 N ASN A 22 -17.406 -8.364 -10.528 1.00 0.00 N ATOM 295 CA ASN A 22 -16.754 -7.912 -11.751 1.00 0.00 C ATOM 296 C ASN A 22 -15.414 -8.615 -11.945 1.00 0.00 C ATOM 297 O ASN A 22 -14.621 -8.236 -12.808 1.00 0.00 O ATOM 298 CB ASN A 22 -16.547 -6.396 -11.713 1.00 0.00 C ATOM 299 CG ASN A 22 -15.580 -5.918 -12.779 1.00 0.00 C ATOM 300 OD1 ASN A 22 -14.703 -4.992 -12.409 1.00 0.00 O flip ATOM 301 ND2 ASN A 22 -15.622 -6.376 -13.921 1.00 0.00 N flip ATOM 0 H ASN A 22 -17.096 -7.884 -9.683 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.401 -8.163 -12.592 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.507 -5.897 -11.847 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.173 -6.108 -10.731 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -16.313 -7.087 -14.160 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -14.965 -6.045 -14.628 1.00 0.00 H new ATOM 308 N CYS A 23 -15.168 -9.641 -11.138 1.00 0.00 N ATOM 309 CA CYS A 23 -13.925 -10.398 -11.220 1.00 0.00 C ATOM 310 C CYS A 23 -13.852 -11.185 -12.525 1.00 0.00 C ATOM 311 O CYS A 23 -14.808 -11.842 -12.937 1.00 0.00 O ATOM 312 CB CYS A 23 -13.804 -11.351 -10.029 1.00 0.00 C ATOM 313 SG CYS A 23 -12.224 -12.255 -9.957 1.00 0.00 S ATOM 0 H CYS A 23 -15.814 -9.968 -10.419 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.096 -9.691 -11.196 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.927 -10.781 -9.108 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.621 -12.071 -10.069 1.00 0.00 H new ATOM 318 N PRO A 24 -12.690 -11.118 -13.192 1.00 0.00 N ATOM 319 CA PRO A 24 -12.464 -11.818 -14.460 1.00 0.00 C ATOM 320 C PRO A 24 -12.386 -13.330 -14.281 1.00 0.00 C ATOM 321 O PRO A 24 -13.013 -14.087 -15.023 1.00 0.00 O ATOM 322 CB PRO A 24 -11.118 -11.266 -14.935 1.00 0.00 C ATOM 323 CG PRO A 24 -10.426 -10.830 -13.689 1.00 0.00 C ATOM 324 CD PRO A 24 -11.508 -10.353 -12.760 1.00 0.00 C ATOM 0 HA PRO A 24 -13.279 -11.657 -15.165 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.542 -12.027 -15.462 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.253 -10.433 -15.625 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.866 -11.653 -13.245 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.712 -10.034 -13.898 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.259 -10.552 -11.718 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.670 -9.279 -12.849 1.00 0.00 H new ATOM 332 N THR A 25 -11.613 -13.765 -13.291 1.00 0.00 N ATOM 333 CA THR A 25 -11.452 -15.187 -13.015 1.00 0.00 C ATOM 334 C THR A 25 -12.766 -15.937 -13.210 1.00 0.00 C ATOM 335 O THR A 25 -12.775 -17.091 -13.634 1.00 0.00 O ATOM 336 CB THR A 25 -10.944 -15.428 -11.581 1.00 0.00 C ATOM 337 OG1 THR A 25 -11.967 -15.091 -10.637 1.00 0.00 O ATOM 338 CG2 THR A 25 -9.698 -14.601 -11.303 1.00 0.00 C ATOM 0 H THR A 25 -11.088 -13.152 -12.667 1.00 0.00 H new ATOM 0 HA THR A 25 -10.713 -15.564 -13.722 1.00 0.00 H new ATOM 0 HB THR A 25 -10.690 -16.483 -11.480 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.756 -14.230 -10.219 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.357 -14.787 -10.285 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.912 -14.880 -12.005 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.930 -13.542 -11.420 1.00 0.00 H new ATOM 346 N ASN A 26 -13.873 -15.272 -12.896 1.00 0.00 N ATOM 347 CA ASN A 26 -15.193 -15.876 -13.037 1.00 0.00 C ATOM 348 C ASN A 26 -15.282 -16.695 -14.320 1.00 0.00 C ATOM 349 O ASN A 26 -15.581 -17.888 -14.288 1.00 0.00 O ATOM 350 CB ASN A 26 -16.275 -14.794 -13.032 1.00 0.00 C ATOM 351 CG ASN A 26 -16.749 -14.456 -11.632 1.00 0.00 C ATOM 352 OD1 ASN A 26 -17.533 -15.194 -11.035 1.00 0.00 O ATOM 353 ND2 ASN A 26 -16.274 -13.335 -11.101 1.00 0.00 N ATOM 0 H ASN A 26 -13.882 -14.315 -12.542 1.00 0.00 H new ATOM 0 HA ASN A 26 -15.352 -16.543 -12.190 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -15.887 -13.894 -13.508 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -17.123 -15.130 -13.629 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -16.557 -13.056 -10.162 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -15.626 -12.754 -11.632 1.00 0.00 H new ATOM 360 N GLY A 27 -15.021 -16.045 -15.450 1.00 0.00 N ATOM 361 CA GLY A 27 -15.076 -16.729 -16.729 1.00 0.00 C ATOM 362 C GLY A 27 -13.846 -17.576 -16.988 1.00 0.00 C ATOM 363 O GLY A 27 -13.239 -17.490 -18.056 1.00 0.00 O ATOM 0 H GLY A 27 -14.772 -15.057 -15.503 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.963 -17.362 -16.761 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.181 -15.993 -17.526 1.00 0.00 H new ATOM 367 N ASP A 28 -13.476 -18.393 -16.009 1.00 0.00 N ATOM 368 CA ASP A 28 -12.308 -19.259 -16.135 1.00 0.00 C ATOM 369 C ASP A 28 -12.350 -20.381 -15.104 1.00 0.00 C ATOM 370 O ASP A 28 -13.186 -20.378 -14.199 1.00 0.00 O ATOM 371 CB ASP A 28 -11.024 -18.445 -15.971 1.00 0.00 C ATOM 372 CG ASP A 28 -10.572 -17.807 -17.269 1.00 0.00 C ATOM 373 OD1 ASP A 28 -10.117 -18.546 -18.167 1.00 0.00 O ATOM 374 OD2 ASP A 28 -10.675 -16.568 -17.389 1.00 0.00 O ATOM 0 H ASP A 28 -13.967 -18.475 -15.119 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.322 -19.705 -17.130 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.183 -17.667 -15.224 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.233 -19.093 -15.593 1.00 0.00 H new ATOM 379 N LYS A 29 -11.444 -21.343 -15.246 1.00 0.00 N ATOM 380 CA LYS A 29 -11.376 -22.473 -14.327 1.00 0.00 C ATOM 381 C LYS A 29 -9.928 -22.807 -13.983 1.00 0.00 C ATOM 382 O LYS A 29 -9.051 -22.769 -14.844 1.00 0.00 O ATOM 383 CB LYS A 29 -12.061 -23.696 -14.939 1.00 0.00 C ATOM 384 CG LYS A 29 -13.527 -23.471 -15.269 1.00 0.00 C ATOM 385 CD LYS A 29 -14.322 -24.762 -15.185 1.00 0.00 C ATOM 386 CE LYS A 29 -14.876 -24.986 -13.786 1.00 0.00 C ATOM 387 NZ LYS A 29 -13.842 -25.524 -12.860 1.00 0.00 N ATOM 0 H LYS A 29 -10.746 -21.362 -15.990 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.895 -22.195 -13.409 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.532 -23.981 -15.849 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.978 -24.533 -14.246 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.948 -22.738 -14.580 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.615 -23.053 -16.272 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -15.143 -24.732 -15.902 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.685 -25.601 -15.464 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.261 -24.045 -13.393 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.716 -25.679 -13.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.306 -25.990 -12.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.250 -26.214 -13.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.247 -24.745 -12.514 1.00 0.00 H new ATOM 401 N ASN A 30 -9.686 -23.137 -12.718 1.00 0.00 N ATOM 402 CA ASN A 30 -8.345 -23.479 -12.260 1.00 0.00 C ATOM 403 C ASN A 30 -7.380 -22.318 -12.485 1.00 0.00 C ATOM 404 O ASN A 30 -6.272 -22.507 -12.988 1.00 0.00 O ATOM 405 CB ASN A 30 -7.838 -24.726 -12.987 1.00 0.00 C ATOM 406 CG ASN A 30 -8.638 -25.966 -12.636 1.00 0.00 C ATOM 407 OD1 ASN A 30 -9.759 -25.873 -12.135 1.00 0.00 O ATOM 408 ND2 ASN A 30 -8.064 -27.134 -12.896 1.00 0.00 N ATOM 0 H ASN A 30 -10.402 -23.175 -11.992 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.395 -23.685 -11.191 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.884 -24.560 -14.063 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.790 -24.889 -12.735 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -8.554 -28.002 -12.680 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -7.133 -27.163 -13.312 1.00 0.00 H new ATOM 415 N PHE A 31 -7.809 -21.118 -12.109 1.00 0.00 N ATOM 416 CA PHE A 31 -6.984 -19.926 -12.270 1.00 0.00 C ATOM 417 C PHE A 31 -6.100 -19.708 -11.047 1.00 0.00 C ATOM 418 O PHE A 31 -4.914 -19.404 -11.172 1.00 0.00 O ATOM 419 CB PHE A 31 -7.866 -18.698 -12.502 1.00 0.00 C ATOM 420 CG PHE A 31 -8.985 -18.567 -11.508 1.00 0.00 C ATOM 421 CD1 PHE A 31 -10.141 -19.318 -11.643 1.00 0.00 C ATOM 422 CD2 PHE A 31 -8.879 -17.693 -10.438 1.00 0.00 C ATOM 423 CE1 PHE A 31 -11.172 -19.198 -10.730 1.00 0.00 C ATOM 424 CE2 PHE A 31 -9.907 -17.569 -9.522 1.00 0.00 C ATOM 425 CZ PHE A 31 -11.054 -18.324 -9.668 1.00 0.00 C ATOM 0 H PHE A 31 -8.723 -20.945 -11.691 1.00 0.00 H new ATOM 0 HA PHE A 31 -6.342 -20.073 -13.139 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.246 -17.802 -12.460 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.287 -18.747 -13.506 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -10.238 -20.005 -12.471 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.983 -17.102 -10.318 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -12.069 -19.788 -10.847 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.813 -16.883 -8.693 1.00 0.00 H new ATOM 0 HZ PHE A 31 -11.858 -18.231 -8.952 1.00 0.00 H new ATOM 435 N GLU A 32 -6.686 -19.865 -9.864 1.00 0.00 N ATOM 436 CA GLU A 32 -5.951 -19.684 -8.618 1.00 0.00 C ATOM 437 C GLU A 32 -5.125 -20.924 -8.288 1.00 0.00 C ATOM 438 O GLU A 32 -5.376 -22.008 -8.813 1.00 0.00 O ATOM 439 CB GLU A 32 -6.917 -19.380 -7.470 1.00 0.00 C ATOM 440 CG GLU A 32 -7.327 -17.920 -7.390 1.00 0.00 C ATOM 441 CD GLU A 32 -6.202 -17.022 -6.914 1.00 0.00 C ATOM 442 OE1 GLU A 32 -5.165 -16.953 -7.607 1.00 0.00 O ATOM 443 OE2 GLU A 32 -6.357 -16.390 -5.849 1.00 0.00 O ATOM 0 H GLU A 32 -7.667 -20.117 -9.743 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.272 -18.841 -8.745 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.810 -19.994 -7.586 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.451 -19.670 -6.528 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.662 -17.586 -8.372 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.176 -17.822 -6.713 1.00 0.00 H new ATOM 450 N SER A 33 -4.137 -20.754 -7.414 1.00 0.00 N ATOM 451 CA SER A 33 -3.271 -21.857 -7.017 1.00 0.00 C ATOM 452 C SER A 33 -3.860 -22.611 -5.829 1.00 0.00 C ATOM 453 O SER A 33 -3.167 -23.371 -5.155 1.00 0.00 O ATOM 454 CB SER A 33 -1.876 -21.337 -6.664 1.00 0.00 C ATOM 455 OG SER A 33 -1.261 -20.726 -7.785 1.00 0.00 O ATOM 0 H SER A 33 -3.917 -19.863 -6.968 1.00 0.00 H new ATOM 0 HA SER A 33 -3.193 -22.545 -7.859 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.948 -20.618 -5.848 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.256 -22.161 -6.309 1.00 0.00 H new ATOM 0 HG SER A 33 -0.372 -20.400 -7.533 1.00 0.00 H new ATOM 461 N GLY A 34 -5.148 -22.392 -5.577 1.00 0.00 N ATOM 462 CA GLY A 34 -5.811 -23.057 -4.470 1.00 0.00 C ATOM 463 C GLY A 34 -5.673 -22.292 -3.169 1.00 0.00 C ATOM 464 O GLY A 34 -5.668 -21.061 -3.145 1.00 0.00 O ATOM 0 H GLY A 34 -5.743 -21.766 -6.120 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.868 -23.181 -4.705 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.393 -24.056 -4.347 1.00 0.00 H new ATOM 468 N PRO A 35 -5.561 -23.029 -2.054 1.00 0.00 N ATOM 469 CA PRO A 35 -5.422 -22.433 -0.722 1.00 0.00 C ATOM 470 C PRO A 35 -4.070 -21.756 -0.527 1.00 0.00 C ATOM 471 O PRO A 35 -3.996 -20.619 -0.060 1.00 0.00 O ATOM 472 CB PRO A 35 -5.560 -23.632 0.220 1.00 0.00 C ATOM 473 CG PRO A 35 -5.138 -24.805 -0.597 1.00 0.00 C ATOM 474 CD PRO A 35 -5.560 -24.501 -2.008 1.00 0.00 C ATOM 0 HA PRO A 35 -6.160 -21.649 -0.548 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -4.931 -23.517 1.102 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.586 -23.743 0.572 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.060 -24.955 -0.536 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -5.608 -25.720 -0.238 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.867 -24.925 -2.735 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.545 -24.911 -2.230 1.00 0.00 H new ATOM 482 N ARG A 36 -3.003 -22.460 -0.889 1.00 0.00 N ATOM 483 CA ARG A 36 -1.653 -21.927 -0.754 1.00 0.00 C ATOM 484 C ARG A 36 -1.098 -21.500 -2.110 1.00 0.00 C ATOM 485 O ARG A 36 -1.752 -21.670 -3.140 1.00 0.00 O ATOM 486 CB ARG A 36 -0.731 -22.969 -0.119 1.00 0.00 C ATOM 487 CG ARG A 36 -0.354 -24.102 -1.059 1.00 0.00 C ATOM 488 CD ARG A 36 0.093 -25.337 -0.292 1.00 0.00 C ATOM 489 NE ARG A 36 0.205 -26.508 -1.157 1.00 0.00 N ATOM 490 CZ ARG A 36 -0.820 -27.294 -1.466 1.00 0.00 C ATOM 491 NH1 ARG A 36 -2.028 -27.035 -0.984 1.00 0.00 N ATOM 492 NH2 ARG A 36 -0.639 -28.342 -2.260 1.00 0.00 N ATOM 0 H ARG A 36 -3.047 -23.402 -1.278 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.699 -21.051 -0.108 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.178 -22.476 0.225 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.220 -23.386 0.761 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.207 -24.353 -1.689 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.447 -23.775 -1.722 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.056 -25.142 0.180 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.618 -25.544 0.508 1.00 0.00 H new ATOM 0 HE ARG A 36 1.121 -26.735 -1.545 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.172 -26.230 -0.374 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.813 -27.641 -1.223 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.288 -28.545 -2.634 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.427 -28.945 -2.496 1.00 0.00 H new ATOM 506 N ILE A 37 0.109 -20.946 -2.102 1.00 0.00 N ATOM 507 CA ILE A 37 0.751 -20.496 -3.331 1.00 0.00 C ATOM 508 C ILE A 37 2.128 -21.130 -3.495 1.00 0.00 C ATOM 509 O ILE A 37 2.879 -21.271 -2.529 1.00 0.00 O ATOM 510 CB ILE A 37 0.897 -18.963 -3.362 1.00 0.00 C ATOM 511 CG1 ILE A 37 1.400 -18.504 -4.732 1.00 0.00 C ATOM 512 CG2 ILE A 37 1.839 -18.499 -2.262 1.00 0.00 C ATOM 513 CD1 ILE A 37 1.110 -17.049 -5.026 1.00 0.00 C ATOM 0 H ILE A 37 0.663 -20.798 -1.258 1.00 0.00 H new ATOM 0 HA ILE A 37 0.109 -20.808 -4.155 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.082 -18.516 -3.188 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.476 -18.670 -4.789 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.940 -19.121 -5.504 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.932 -17.414 -2.297 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.441 -18.798 -1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.820 -18.952 -2.408 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.495 -16.794 -6.013 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.033 -16.880 -5.001 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.593 -16.423 -4.276 1.00 0.00 H new ATOM 525 N LYS A 38 2.456 -21.509 -4.726 1.00 0.00 N ATOM 526 CA LYS A 38 3.744 -22.125 -5.020 1.00 0.00 C ATOM 527 C LYS A 38 4.856 -21.080 -5.036 1.00 0.00 C ATOM 528 O LYS A 38 5.833 -21.187 -4.295 1.00 0.00 O ATOM 529 CB LYS A 38 3.691 -22.849 -6.367 1.00 0.00 C ATOM 530 CG LYS A 38 5.049 -23.321 -6.858 1.00 0.00 C ATOM 531 CD LYS A 38 5.363 -24.725 -6.368 1.00 0.00 C ATOM 532 CE LYS A 38 6.729 -25.190 -6.846 1.00 0.00 C ATOM 533 NZ LYS A 38 6.995 -26.607 -6.474 1.00 0.00 N ATOM 0 H LYS A 38 1.847 -21.400 -5.537 1.00 0.00 H new ATOM 0 HA LYS A 38 3.960 -22.848 -4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.026 -23.708 -6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.257 -22.182 -7.112 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.069 -23.302 -7.948 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.821 -22.633 -6.513 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.331 -24.747 -5.279 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.598 -25.415 -6.723 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.791 -25.081 -7.929 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.501 -24.551 -6.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.936 -26.885 -6.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.961 -26.707 -5.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.274 -27.220 -6.904 1.00 0.00 H new ATOM 547 N LYS A 39 4.699 -20.070 -5.884 1.00 0.00 N ATOM 548 CA LYS A 39 5.688 -19.003 -5.995 1.00 0.00 C ATOM 549 C LYS A 39 5.039 -17.708 -6.473 1.00 0.00 C ATOM 550 O LYS A 39 3.982 -17.728 -7.103 1.00 0.00 O ATOM 551 CB LYS A 39 6.804 -19.413 -6.957 1.00 0.00 C ATOM 552 CG LYS A 39 6.300 -19.862 -8.318 1.00 0.00 C ATOM 553 CD LYS A 39 7.367 -20.626 -9.084 1.00 0.00 C ATOM 554 CE LYS A 39 8.398 -19.686 -9.690 1.00 0.00 C ATOM 555 NZ LYS A 39 9.535 -19.436 -8.761 1.00 0.00 N ATOM 0 H LYS A 39 3.896 -19.967 -6.505 1.00 0.00 H new ATOM 0 HA LYS A 39 6.114 -18.831 -5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.484 -18.572 -7.090 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.381 -20.221 -6.508 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.420 -20.493 -8.191 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.988 -18.992 -8.896 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.863 -21.330 -8.415 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.899 -21.213 -9.874 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.776 -20.112 -10.620 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.921 -18.739 -9.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.679 -18.411 -8.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.322 -19.852 -7.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.399 -19.870 -9.145 1.00 0.00 H new ATOM 569 N SER A 40 5.681 -16.584 -6.172 1.00 0.00 N ATOM 570 CA SER A 40 5.165 -15.279 -6.569 1.00 0.00 C ATOM 571 C SER A 40 4.977 -15.207 -8.082 1.00 0.00 C ATOM 572 O SER A 40 3.852 -15.137 -8.577 1.00 0.00 O ATOM 573 CB SER A 40 6.114 -14.170 -6.109 1.00 0.00 C ATOM 574 OG SER A 40 5.893 -13.843 -4.748 1.00 0.00 O ATOM 0 H SER A 40 6.559 -16.551 -5.655 1.00 0.00 H new ATOM 0 HA SER A 40 4.195 -15.139 -6.092 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.147 -14.490 -6.246 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.970 -13.284 -6.727 1.00 0.00 H new ATOM 0 HG SER A 40 6.512 -13.133 -4.477 1.00 0.00 H new ATOM 580 N THR A 41 6.088 -15.225 -8.812 1.00 0.00 N ATOM 581 CA THR A 41 6.048 -15.161 -10.267 1.00 0.00 C ATOM 582 C THR A 41 5.566 -16.479 -10.862 1.00 0.00 C ATOM 583 O THR A 41 6.180 -17.525 -10.657 1.00 0.00 O ATOM 584 CB THR A 41 7.431 -14.821 -10.853 1.00 0.00 C ATOM 585 OG1 THR A 41 7.354 -14.747 -12.281 1.00 0.00 O ATOM 586 CG2 THR A 41 8.461 -15.865 -10.449 1.00 0.00 C ATOM 0 H THR A 41 7.027 -15.283 -8.418 1.00 0.00 H new ATOM 0 HA THR A 41 5.346 -14.369 -10.529 1.00 0.00 H new ATOM 0 HB THR A 41 7.741 -13.854 -10.456 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.237 -14.529 -12.645 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.430 -15.604 -10.874 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.539 -15.898 -9.362 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.153 -16.842 -10.820 1.00 0.00 H new ATOM 594 N GLY A 42 4.462 -16.421 -11.602 1.00 0.00 N ATOM 595 CA GLY A 42 3.917 -17.617 -12.216 1.00 0.00 C ATOM 596 C GLY A 42 2.922 -17.302 -13.316 1.00 0.00 C ATOM 597 O GLY A 42 1.914 -16.637 -13.077 1.00 0.00 O ATOM 0 H GLY A 42 3.936 -15.567 -11.787 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.731 -18.214 -12.627 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.430 -18.224 -11.453 1.00 0.00 H new ATOM 601 N ILE A 43 3.206 -17.780 -14.523 1.00 0.00 N ATOM 602 CA ILE A 43 2.328 -17.545 -15.662 1.00 0.00 C ATOM 603 C ILE A 43 1.216 -18.587 -15.723 1.00 0.00 C ATOM 604 O ILE A 43 1.383 -19.734 -15.309 1.00 0.00 O ATOM 605 CB ILE A 43 3.109 -17.566 -16.989 1.00 0.00 C ATOM 606 CG1 ILE A 43 3.781 -18.927 -17.189 1.00 0.00 C ATOM 607 CG2 ILE A 43 4.143 -16.450 -17.012 1.00 0.00 C ATOM 608 CD1 ILE A 43 2.929 -19.914 -17.955 1.00 0.00 C ATOM 0 H ILE A 43 4.037 -18.332 -14.737 1.00 0.00 H new ATOM 0 HA ILE A 43 1.890 -16.557 -15.524 1.00 0.00 H new ATOM 0 HB ILE A 43 2.409 -17.404 -17.809 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.723 -18.784 -17.719 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.025 -19.350 -16.214 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.687 -16.478 -17.956 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.642 -15.487 -16.910 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.842 -16.584 -16.186 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.468 -20.856 -18.059 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.998 -20.086 -17.415 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.706 -19.512 -18.943 1.00 0.00 H new ATOM 620 N PRO A 44 0.053 -18.181 -16.254 1.00 0.00 N ATOM 621 CA PRO A 44 -1.109 -19.065 -16.385 1.00 0.00 C ATOM 622 C PRO A 44 -0.897 -20.150 -17.435 1.00 0.00 C ATOM 623 O PRO A 44 0.045 -20.086 -18.225 1.00 0.00 O ATOM 624 CB PRO A 44 -2.230 -18.115 -16.817 1.00 0.00 C ATOM 625 CG PRO A 44 -1.530 -16.982 -17.483 1.00 0.00 C ATOM 626 CD PRO A 44 -0.217 -16.827 -16.768 1.00 0.00 C ATOM 0 HA PRO A 44 -1.319 -19.602 -15.460 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -2.925 -18.606 -17.498 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.811 -17.773 -15.961 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -1.375 -17.188 -18.542 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.119 -16.067 -17.419 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.570 -16.489 -17.442 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.282 -16.097 -15.962 1.00 0.00 H new ATOM 634 N ARG A 45 -1.778 -21.145 -17.437 1.00 0.00 N ATOM 635 CA ARG A 45 -1.686 -22.245 -18.389 1.00 0.00 C ATOM 636 C ARG A 45 -0.407 -23.049 -18.170 1.00 0.00 C ATOM 637 O ARG A 45 0.277 -23.418 -19.124 1.00 0.00 O ATOM 638 CB ARG A 45 -1.726 -21.711 -19.823 1.00 0.00 C ATOM 639 CG ARG A 45 -2.997 -20.946 -20.152 1.00 0.00 C ATOM 640 CD ARG A 45 -4.101 -21.878 -20.626 1.00 0.00 C ATOM 641 NE ARG A 45 -3.891 -22.320 -22.002 1.00 0.00 N ATOM 642 CZ ARG A 45 -4.378 -23.455 -22.492 1.00 0.00 C ATOM 643 NH1 ARG A 45 -5.100 -24.258 -21.722 1.00 0.00 N ATOM 644 NH2 ARG A 45 -4.144 -23.788 -23.755 1.00 0.00 N ATOM 0 H ARG A 45 -2.564 -21.212 -16.790 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.540 -22.903 -18.229 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.868 -21.059 -19.983 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.625 -22.546 -20.516 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.333 -20.401 -19.270 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.788 -20.206 -20.924 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.149 -22.747 -19.969 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.062 -21.369 -20.551 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.340 -21.725 -22.621 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.283 -24.005 -20.751 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.473 -25.129 -22.101 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.590 -23.173 -24.350 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -4.518 -24.659 -24.130 1.00 0.00 H new ATOM 658 N SER A 46 -0.091 -23.315 -16.907 1.00 0.00 N ATOM 659 CA SER A 46 1.107 -24.071 -16.562 1.00 0.00 C ATOM 660 C SER A 46 1.144 -25.401 -17.308 1.00 0.00 C ATOM 661 O SER A 46 2.175 -25.789 -17.859 1.00 0.00 O ATOM 662 CB SER A 46 1.163 -24.318 -15.053 1.00 0.00 C ATOM 663 OG SER A 46 0.101 -25.157 -14.634 1.00 0.00 O ATOM 0 H SER A 46 -0.648 -23.018 -16.106 1.00 0.00 H new ATOM 0 HA SER A 46 1.975 -23.483 -16.859 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.117 -24.776 -14.791 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.110 -23.367 -14.523 1.00 0.00 H new ATOM 0 HG SER A 46 0.160 -25.301 -13.666 1.00 0.00 H new ATOM 669 N PHE A 47 0.012 -26.097 -17.321 1.00 0.00 N ATOM 670 CA PHE A 47 -0.087 -27.385 -17.998 1.00 0.00 C ATOM 671 C PHE A 47 0.783 -27.408 -19.251 1.00 0.00 C ATOM 672 O PHE A 47 1.562 -28.337 -19.462 1.00 0.00 O ATOM 673 CB PHE A 47 -1.542 -27.680 -18.368 1.00 0.00 C ATOM 674 CG PHE A 47 -1.773 -29.100 -18.802 1.00 0.00 C ATOM 675 CD1 PHE A 47 -1.839 -30.121 -17.868 1.00 0.00 C ATOM 676 CD2 PHE A 47 -1.925 -29.412 -20.143 1.00 0.00 C ATOM 677 CE1 PHE A 47 -2.051 -31.428 -18.265 1.00 0.00 C ATOM 678 CE2 PHE A 47 -2.137 -30.716 -20.546 1.00 0.00 C ATOM 679 CZ PHE A 47 -2.202 -31.726 -19.606 1.00 0.00 C ATOM 0 H PHE A 47 -0.850 -25.791 -16.870 1.00 0.00 H new ATOM 0 HA PHE A 47 0.270 -28.155 -17.315 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.178 -27.462 -17.510 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -1.848 -27.009 -19.170 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.724 -29.893 -16.819 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.877 -28.626 -20.882 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.099 -32.216 -17.528 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.252 -30.946 -21.595 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.370 -32.746 -19.918 1.00 0.00 H new ATOM 689 N MET A 48 0.644 -26.378 -20.080 1.00 0.00 N ATOM 690 CA MET A 48 1.417 -26.280 -21.313 1.00 0.00 C ATOM 691 C MET A 48 1.894 -24.849 -21.543 1.00 0.00 C ATOM 692 O MET A 48 1.091 -23.949 -21.786 1.00 0.00 O ATOM 693 CB MET A 48 0.579 -26.748 -22.504 1.00 0.00 C ATOM 694 CG MET A 48 -0.700 -25.951 -22.698 1.00 0.00 C ATOM 695 SD MET A 48 -1.792 -26.679 -23.935 1.00 0.00 S ATOM 696 CE MET A 48 -3.091 -27.338 -22.894 1.00 0.00 C ATOM 0 H MET A 48 0.004 -25.600 -19.920 1.00 0.00 H new ATOM 0 HA MET A 48 2.291 -26.925 -21.217 1.00 0.00 H new ATOM 0 HB2 MET A 48 1.181 -26.680 -23.410 1.00 0.00 H new ATOM 0 HB3 MET A 48 0.325 -27.799 -22.368 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.229 -25.883 -21.747 1.00 0.00 H new ATOM 0 HG3 MET A 48 -0.448 -24.933 -22.996 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.918 -28.401 -22.726 1.00 0.00 H new ATOM 0 HE2 MET A 48 -3.092 -26.815 -21.938 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.055 -27.200 -23.384 1.00 0.00 H new ATOM 706 N MET A 49 3.205 -24.648 -21.464 1.00 0.00 N ATOM 707 CA MET A 49 3.788 -23.326 -21.664 1.00 0.00 C ATOM 708 C MET A 49 4.726 -23.322 -22.867 1.00 0.00 C ATOM 709 O MET A 49 4.895 -24.341 -23.536 1.00 0.00 O ATOM 710 CB MET A 49 4.546 -22.884 -20.410 1.00 0.00 C ATOM 711 CG MET A 49 5.520 -23.927 -19.890 1.00 0.00 C ATOM 712 SD MET A 49 6.135 -23.541 -18.239 1.00 0.00 S ATOM 713 CE MET A 49 7.340 -24.846 -18.013 1.00 0.00 C ATOM 0 H MET A 49 3.883 -25.383 -21.263 1.00 0.00 H new ATOM 0 HA MET A 49 2.977 -22.624 -21.856 1.00 0.00 H new ATOM 0 HB2 MET A 49 5.092 -21.967 -20.630 1.00 0.00 H new ATOM 0 HB3 MET A 49 3.827 -22.647 -19.626 1.00 0.00 H new ATOM 0 HG2 MET A 49 5.029 -24.900 -19.872 1.00 0.00 H new ATOM 0 HG3 MET A 49 6.362 -24.007 -20.578 1.00 0.00 H new ATOM 0 HE1 MET A 49 7.809 -24.743 -17.034 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.844 -25.814 -18.078 1.00 0.00 H new ATOM 0 HE3 MET A 49 8.102 -24.776 -18.789 1.00 0.00 H new ATOM 723 N GLU A 50 5.334 -22.170 -23.135 1.00 0.00 N ATOM 724 CA GLU A 50 6.253 -22.036 -24.258 1.00 0.00 C ATOM 725 C GLU A 50 5.511 -22.151 -25.586 1.00 0.00 C ATOM 726 O GLU A 50 6.057 -22.638 -26.576 1.00 0.00 O ATOM 727 CB GLU A 50 7.349 -23.101 -24.180 1.00 0.00 C ATOM 728 CG GLU A 50 8.579 -22.772 -25.009 1.00 0.00 C ATOM 729 CD GLU A 50 9.772 -23.636 -24.650 1.00 0.00 C ATOM 730 OE1 GLU A 50 9.829 -24.121 -23.501 1.00 0.00 O ATOM 731 OE2 GLU A 50 10.650 -23.827 -25.518 1.00 0.00 O ATOM 0 H GLU A 50 5.206 -21.317 -22.590 1.00 0.00 H new ATOM 0 HA GLU A 50 6.711 -21.049 -24.202 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.646 -23.228 -23.139 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.941 -24.055 -24.514 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.346 -22.902 -26.066 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.839 -21.723 -24.867 1.00 0.00 H new ATOM 738 N VAL A 51 4.261 -21.699 -25.600 1.00 0.00 N ATOM 739 CA VAL A 51 3.442 -21.750 -26.805 1.00 0.00 C ATOM 740 C VAL A 51 3.209 -20.353 -27.371 1.00 0.00 C ATOM 741 O VAL A 51 2.356 -20.156 -28.236 1.00 0.00 O ATOM 742 CB VAL A 51 2.081 -22.415 -26.531 1.00 0.00 C ATOM 743 CG1 VAL A 51 2.272 -23.846 -26.052 1.00 0.00 C ATOM 744 CG2 VAL A 51 1.287 -21.606 -25.516 1.00 0.00 C ATOM 0 H VAL A 51 3.793 -21.293 -24.790 1.00 0.00 H new ATOM 0 HA VAL A 51 3.989 -22.347 -27.534 1.00 0.00 H new ATOM 0 HB VAL A 51 1.516 -22.442 -27.463 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.299 -24.300 -25.864 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.797 -24.419 -26.816 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.857 -23.847 -25.132 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.328 -22.091 -25.334 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.846 -21.545 -24.582 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.118 -20.601 -25.903 1.00 0.00 H new ATOM 754 N LYS A 52 3.973 -19.386 -26.876 1.00 0.00 N ATOM 755 CA LYS A 52 3.852 -18.006 -27.332 1.00 0.00 C ATOM 756 C LYS A 52 5.055 -17.179 -26.889 1.00 0.00 C ATOM 757 O LYS A 52 5.808 -17.586 -26.004 1.00 0.00 O ATOM 758 CB LYS A 52 2.564 -17.380 -26.794 1.00 0.00 C ATOM 759 CG LYS A 52 2.540 -17.245 -25.281 1.00 0.00 C ATOM 760 CD LYS A 52 1.562 -16.171 -24.833 1.00 0.00 C ATOM 761 CE LYS A 52 0.134 -16.694 -24.805 1.00 0.00 C ATOM 762 NZ LYS A 52 -0.859 -15.589 -24.705 1.00 0.00 N ATOM 0 H LYS A 52 4.683 -19.532 -26.159 1.00 0.00 H new ATOM 0 HA LYS A 52 3.818 -18.012 -28.421 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.435 -16.394 -27.241 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.715 -17.987 -27.110 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.263 -18.200 -24.834 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.539 -17.002 -24.920 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.840 -15.815 -23.841 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.625 -15.317 -25.507 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.058 -17.274 -25.707 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.011 -17.370 -23.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.820 -15.986 -24.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.692 -15.050 -23.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.759 -14.957 -25.525 1.00 0.00 H new ATOM 776 N ASP A 53 5.230 -16.018 -27.510 1.00 0.00 N ATOM 777 CA ASP A 53 6.340 -15.132 -27.178 1.00 0.00 C ATOM 778 C ASP A 53 5.841 -13.719 -26.893 1.00 0.00 C ATOM 779 O ASP A 53 5.001 -13.174 -27.610 1.00 0.00 O ATOM 780 CB ASP A 53 7.359 -15.107 -28.318 1.00 0.00 C ATOM 781 CG ASP A 53 6.744 -14.674 -29.634 1.00 0.00 C ATOM 782 OD1 ASP A 53 5.949 -15.452 -30.202 1.00 0.00 O ATOM 783 OD2 ASP A 53 7.059 -13.558 -30.098 1.00 0.00 O ATOM 0 H ASP A 53 4.617 -15.668 -28.246 1.00 0.00 H new ATOM 0 HA ASP A 53 6.822 -15.515 -26.279 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.172 -14.429 -28.060 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.796 -16.099 -28.433 1.00 0.00 H new ATOM 788 N PRO A 54 6.369 -13.109 -25.821 1.00 0.00 N ATOM 789 CA PRO A 54 5.992 -11.752 -25.417 1.00 0.00 C ATOM 790 C PRO A 54 6.501 -10.694 -26.391 1.00 0.00 C ATOM 791 O PRO A 54 5.741 -9.842 -26.849 1.00 0.00 O ATOM 792 CB PRO A 54 6.665 -11.589 -24.052 1.00 0.00 C ATOM 793 CG PRO A 54 7.817 -12.532 -24.082 1.00 0.00 C ATOM 794 CD PRO A 54 7.376 -13.698 -24.922 1.00 0.00 C ATOM 0 HA PRO A 54 4.910 -11.620 -25.393 1.00 0.00 H new ATOM 0 HB2 PRO A 54 6.997 -10.563 -23.895 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.978 -11.829 -23.241 1.00 0.00 H new ATOM 0 HG2 PRO A 54 8.700 -12.056 -24.508 1.00 0.00 H new ATOM 0 HG3 PRO A 54 8.083 -12.855 -23.076 1.00 0.00 H new ATOM 0 HD2 PRO A 54 8.208 -14.130 -25.478 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.952 -14.496 -24.312 1.00 0.00 H new ATOM 802 N ASN A 55 7.791 -10.757 -26.704 1.00 0.00 N ATOM 803 CA ASN A 55 8.401 -9.804 -27.625 1.00 0.00 C ATOM 804 C ASN A 55 9.743 -10.322 -28.134 1.00 0.00 C ATOM 805 O ASN A 55 10.312 -11.224 -27.521 1.00 0.00 O ATOM 806 CB ASN A 55 8.592 -8.450 -26.937 1.00 0.00 C ATOM 807 CG ASN A 55 8.920 -7.344 -27.921 1.00 0.00 C ATOM 808 OD1 ASN A 55 9.922 -7.408 -28.634 1.00 0.00 O ATOM 809 ND2 ASN A 55 8.075 -6.320 -27.963 1.00 0.00 N ATOM 0 H ASN A 55 8.434 -11.457 -26.334 1.00 0.00 H new ATOM 0 HA ASN A 55 7.733 -9.681 -28.477 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.684 -8.191 -26.392 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.393 -8.528 -26.202 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.244 -5.545 -28.604 1.00 0.00 H new ATOM 0 HD22 ASN A 55 7.257 -6.309 -27.354 1.00 0.00 H new TER 816 ASN A 55 HETATM 817 ZN ZN A 181 -10.920 -10.830 -8.631 1.00 0.00 ZN