USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 503 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 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 7:sc= 0.617! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0481 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 0:sc= -0.392 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 120:sc= -0.802 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -72:sc= 0.123 USER MOD Single : A 36 ASN : amide:sc= -6.64! K(o=-6.6!,f=-0.98) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.704 K(o=-0.7,f=-2.1) USER MOD Single : A 59 ASN : amide:sc= -0.0168 K(o=-0.017,f=-0.94) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 37:sc= 0.228 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.645 -25.478 7.256 1.00 0.00 N ATOM 2 CA GLY A 1 -6.078 -25.369 8.588 1.00 0.00 C ATOM 3 C GLY A 1 -5.599 -23.965 8.901 1.00 0.00 C ATOM 4 O GLY A 1 -6.405 -23.059 9.108 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.957 -26.456 7.091 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.459 -24.836 7.171 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.926 -25.220 6.550 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.825 -25.667 9.323 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.243 -26.064 8.682 1.00 0.00 H new ATOM 8 N SER A 2 -4.282 -23.785 8.938 1.00 0.00 N ATOM 9 CA SER A 2 -3.697 -22.483 9.234 1.00 0.00 C ATOM 10 C SER A 2 -3.394 -21.719 7.948 1.00 0.00 C ATOM 11 O SER A 2 -2.650 -22.195 7.091 1.00 0.00 O ATOM 12 CB SER A 2 -2.417 -22.651 10.055 1.00 0.00 C ATOM 13 OG SER A 2 -2.061 -21.439 10.698 1.00 0.00 O ATOM 0 H SER A 2 -3.601 -24.524 8.767 1.00 0.00 H new ATOM 0 HA SER A 2 -4.420 -21.910 9.815 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.559 -23.434 10.800 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.604 -22.974 9.405 1.00 0.00 H new ATOM 0 HG SER A 2 -1.241 -21.573 11.218 1.00 0.00 H new ATOM 19 N SER A 3 -3.976 -20.530 7.823 1.00 0.00 N ATOM 20 CA SER A 3 -3.772 -19.701 6.641 1.00 0.00 C ATOM 21 C SER A 3 -3.618 -18.233 7.028 1.00 0.00 C ATOM 22 O SER A 3 -4.472 -17.666 7.709 1.00 0.00 O ATOM 23 CB SER A 3 -4.943 -19.864 5.670 1.00 0.00 C ATOM 24 OG SER A 3 -6.062 -19.103 6.088 1.00 0.00 O ATOM 0 H SER A 3 -4.592 -20.120 8.525 1.00 0.00 H new ATOM 0 HA SER A 3 -2.855 -20.028 6.151 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.638 -19.550 4.672 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.220 -20.916 5.602 1.00 0.00 H new ATOM 0 HG SER A 3 -5.811 -18.545 6.854 1.00 0.00 H new ATOM 30 N GLY A 4 -2.521 -17.623 6.589 1.00 0.00 N ATOM 31 CA GLY A 4 -2.274 -16.227 6.898 1.00 0.00 C ATOM 32 C GLY A 4 -2.529 -15.317 5.714 1.00 0.00 C ATOM 33 O GLY A 4 -3.234 -15.690 4.776 1.00 0.00 O ATOM 0 H GLY A 4 -1.799 -18.071 6.025 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.911 -15.924 7.729 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.242 -16.108 7.228 1.00 0.00 H new ATOM 37 N SER A 5 -1.956 -14.118 5.756 1.00 0.00 N ATOM 38 CA SER A 5 -2.130 -13.149 4.681 1.00 0.00 C ATOM 39 C SER A 5 -0.813 -12.907 3.950 1.00 0.00 C ATOM 40 O SER A 5 0.233 -13.423 4.344 1.00 0.00 O ATOM 41 CB SER A 5 -2.668 -11.829 5.237 1.00 0.00 C ATOM 42 OG SER A 5 -4.027 -11.952 5.618 1.00 0.00 O ATOM 0 H SER A 5 -1.367 -13.795 6.524 1.00 0.00 H new ATOM 0 HA SER A 5 -2.850 -13.556 3.971 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.072 -11.523 6.097 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.567 -11.046 4.485 1.00 0.00 H new ATOM 0 HG SER A 5 -4.346 -11.096 5.972 1.00 0.00 H new ATOM 48 N SER A 6 -0.873 -12.118 2.881 1.00 0.00 N ATOM 49 CA SER A 6 0.314 -11.810 2.092 1.00 0.00 C ATOM 50 C SER A 6 0.213 -10.415 1.482 1.00 0.00 C ATOM 51 O SER A 6 -0.879 -9.866 1.335 1.00 0.00 O ATOM 52 CB SER A 6 0.500 -12.850 0.985 1.00 0.00 C ATOM 53 OG SER A 6 0.497 -14.164 1.515 1.00 0.00 O ATOM 0 H SER A 6 -1.730 -11.681 2.542 1.00 0.00 H new ATOM 0 HA SER A 6 1.179 -11.837 2.755 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.298 -12.749 0.249 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.439 -12.667 0.464 1.00 0.00 H new ATOM 0 HG SER A 6 0.616 -14.810 0.788 1.00 0.00 H new ATOM 59 N GLY A 7 1.362 -9.845 1.129 1.00 0.00 N ATOM 60 CA GLY A 7 1.382 -8.519 0.539 1.00 0.00 C ATOM 61 C GLY A 7 2.705 -8.203 -0.130 1.00 0.00 C ATOM 62 O GLY A 7 3.564 -9.074 -0.265 1.00 0.00 O ATOM 0 H GLY A 7 2.279 -10.278 1.241 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.579 -8.438 -0.194 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.183 -7.777 1.313 1.00 0.00 H new ATOM 66 N ASP A 8 2.869 -6.953 -0.550 1.00 0.00 N ATOM 67 CA ASP A 8 4.096 -6.523 -1.210 1.00 0.00 C ATOM 68 C ASP A 8 4.774 -5.407 -0.422 1.00 0.00 C ATOM 69 O ASP A 8 4.116 -4.480 0.053 1.00 0.00 O ATOM 70 CB ASP A 8 3.798 -6.051 -2.633 1.00 0.00 C ATOM 71 CG ASP A 8 4.955 -6.299 -3.581 1.00 0.00 C ATOM 72 OD1 ASP A 8 5.848 -5.430 -3.668 1.00 0.00 O ATOM 73 OD2 ASP A 8 4.968 -7.363 -4.234 1.00 0.00 O ATOM 0 H ASP A 8 2.168 -6.220 -0.445 1.00 0.00 H new ATOM 0 HA ASP A 8 4.773 -7.376 -1.254 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.911 -6.565 -3.005 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.566 -4.986 -2.618 1.00 0.00 H new ATOM 78 N TYR A 9 6.092 -5.502 -0.285 1.00 0.00 N ATOM 79 CA TYR A 9 6.858 -4.501 0.448 1.00 0.00 C ATOM 80 C TYR A 9 7.270 -3.352 -0.466 1.00 0.00 C ATOM 81 O TYR A 9 7.880 -3.566 -1.515 1.00 0.00 O ATOM 82 CB TYR A 9 8.099 -5.139 1.076 1.00 0.00 C ATOM 83 CG TYR A 9 7.866 -5.674 2.470 1.00 0.00 C ATOM 84 CD1 TYR A 9 6.653 -6.256 2.818 1.00 0.00 C ATOM 85 CD2 TYR A 9 8.858 -5.599 3.440 1.00 0.00 C ATOM 86 CE1 TYR A 9 6.435 -6.745 4.091 1.00 0.00 C ATOM 87 CE2 TYR A 9 8.650 -6.088 4.715 1.00 0.00 C ATOM 88 CZ TYR A 9 7.436 -6.659 5.036 1.00 0.00 C ATOM 89 OH TYR A 9 7.224 -7.147 6.305 1.00 0.00 O ATOM 0 H TYR A 9 6.652 -6.262 -0.672 1.00 0.00 H new ATOM 0 HA TYR A 9 6.223 -4.101 1.238 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.442 -5.952 0.437 1.00 0.00 H new ATOM 0 HB3 TYR A 9 8.900 -4.400 1.109 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.867 -6.327 2.080 1.00 0.00 H new ATOM 0 HD2 TYR A 9 9.809 -5.150 3.193 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.486 -7.192 4.345 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.433 -6.024 5.456 1.00 0.00 H new ATOM 0 HH TYR A 9 8.029 -7.010 6.847 1.00 0.00 H new ATOM 99 N CYS A 10 6.934 -2.133 -0.061 1.00 0.00 N ATOM 100 CA CYS A 10 7.268 -0.948 -0.843 1.00 0.00 C ATOM 101 C CYS A 10 8.051 0.056 -0.003 1.00 0.00 C ATOM 102 O CYS A 10 7.636 0.417 1.099 1.00 0.00 O ATOM 103 CB CYS A 10 5.997 -0.294 -1.386 1.00 0.00 C ATOM 104 SG CYS A 10 4.950 -1.406 -2.354 1.00 0.00 S ATOM 0 H CYS A 10 6.430 -1.939 0.805 1.00 0.00 H new ATOM 0 HA CYS A 10 7.893 -1.261 -1.679 1.00 0.00 H new ATOM 0 HB2 CYS A 10 5.417 0.098 -0.550 1.00 0.00 H new ATOM 0 HB3 CYS A 10 6.276 0.557 -2.007 1.00 0.00 H new ATOM 0 HG CYS A 10 5.498 -2.584 -2.405 1.00 0.00 H new ATOM 110 N LYS A 11 9.187 0.501 -0.528 1.00 0.00 N ATOM 111 CA LYS A 11 10.030 1.462 0.173 1.00 0.00 C ATOM 112 C LYS A 11 9.563 2.890 -0.092 1.00 0.00 C ATOM 113 O LYS A 11 9.324 3.273 -1.237 1.00 0.00 O ATOM 114 CB LYS A 11 11.490 1.303 -0.261 1.00 0.00 C ATOM 115 CG LYS A 11 12.442 2.249 0.450 1.00 0.00 C ATOM 116 CD LYS A 11 13.891 1.930 0.124 1.00 0.00 C ATOM 117 CE LYS A 11 14.842 2.581 1.118 1.00 0.00 C ATOM 118 NZ LYS A 11 15.110 1.700 2.287 1.00 0.00 N ATOM 0 H LYS A 11 9.546 0.211 -1.438 1.00 0.00 H new ATOM 0 HA LYS A 11 9.951 1.265 1.242 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.806 0.276 -0.076 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.561 1.469 -1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.220 3.276 0.160 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.287 2.182 1.527 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.038 0.850 0.132 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.123 2.276 -0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.782 2.819 0.619 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.417 3.523 1.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.762 2.179 2.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.217 1.494 2.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.539 0.811 1.960 1.00 0.00 H new ATOM 132 N VAL A 12 9.437 3.673 0.975 1.00 0.00 N ATOM 133 CA VAL A 12 9.001 5.060 0.857 1.00 0.00 C ATOM 134 C VAL A 12 10.187 5.993 0.642 1.00 0.00 C ATOM 135 O VAL A 12 10.975 6.233 1.557 1.00 0.00 O ATOM 136 CB VAL A 12 8.227 5.513 2.110 1.00 0.00 C ATOM 137 CG1 VAL A 12 7.819 6.973 1.987 1.00 0.00 C ATOM 138 CG2 VAL A 12 7.010 4.628 2.332 1.00 0.00 C ATOM 0 H VAL A 12 9.630 3.371 1.930 1.00 0.00 H new ATOM 0 HA VAL A 12 8.340 5.111 -0.009 1.00 0.00 H new ATOM 0 HB VAL A 12 8.882 5.416 2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.274 7.275 2.881 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.710 7.592 1.879 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.181 7.100 1.113 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.475 4.962 3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.351 4.692 1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.331 3.595 2.468 1.00 0.00 H new ATOM 148 N ILE A 13 10.308 6.515 -0.574 1.00 0.00 N ATOM 149 CA ILE A 13 11.398 7.424 -0.909 1.00 0.00 C ATOM 150 C ILE A 13 10.929 8.875 -0.894 1.00 0.00 C ATOM 151 O ILE A 13 11.714 9.789 -0.642 1.00 0.00 O ATOM 152 CB ILE A 13 11.993 7.103 -2.293 1.00 0.00 C ATOM 153 CG1 ILE A 13 10.899 7.138 -3.363 1.00 0.00 C ATOM 154 CG2 ILE A 13 12.678 5.745 -2.273 1.00 0.00 C ATOM 155 CD1 ILE A 13 10.146 5.833 -3.500 1.00 0.00 C ATOM 0 H ILE A 13 9.666 6.324 -1.343 1.00 0.00 H new ATOM 0 HA ILE A 13 12.168 7.286 -0.150 1.00 0.00 H new ATOM 0 HB ILE A 13 12.738 7.860 -2.536 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.192 7.932 -3.123 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.349 7.391 -4.323 1.00 0.00 H new ATOM 0 HG21 ILE A 13 13.093 5.532 -3.258 1.00 0.00 H new ATOM 0 HG22 ILE A 13 13.480 5.753 -1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 13 11.952 4.975 -2.012 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.387 5.931 -4.276 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.841 5.038 -3.771 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.667 5.588 -2.552 1.00 0.00 H new ATOM 167 N PHE A 14 9.644 9.078 -1.163 1.00 0.00 N ATOM 168 CA PHE A 14 9.069 10.418 -1.179 1.00 0.00 C ATOM 169 C PHE A 14 8.114 10.615 -0.005 1.00 0.00 C ATOM 170 O PHE A 14 7.223 9.803 0.246 1.00 0.00 O ATOM 171 CB PHE A 14 8.331 10.664 -2.497 1.00 0.00 C ATOM 172 CG PHE A 14 9.243 10.741 -3.688 1.00 0.00 C ATOM 173 CD1 PHE A 14 10.282 11.656 -3.724 1.00 0.00 C ATOM 174 CD2 PHE A 14 9.060 9.898 -4.773 1.00 0.00 C ATOM 175 CE1 PHE A 14 11.123 11.730 -4.819 1.00 0.00 C ATOM 176 CE2 PHE A 14 9.897 9.967 -5.870 1.00 0.00 C ATOM 177 CZ PHE A 14 10.930 10.884 -5.893 1.00 0.00 C ATOM 0 H PHE A 14 8.981 8.332 -1.373 1.00 0.00 H new ATOM 0 HA PHE A 14 9.884 11.136 -1.087 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.608 9.864 -2.654 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.767 11.593 -2.421 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.437 12.320 -2.886 1.00 0.00 H new ATOM 0 HD2 PHE A 14 8.254 9.179 -4.761 1.00 0.00 H new ATOM 0 HE1 PHE A 14 11.929 12.448 -4.834 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.744 9.304 -6.709 1.00 0.00 H new ATOM 0 HZ PHE A 14 11.585 10.939 -6.750 1.00 0.00 H new ATOM 187 N PRO A 15 8.305 11.718 0.734 1.00 0.00 N ATOM 188 CA PRO A 15 7.472 12.048 1.894 1.00 0.00 C ATOM 189 C PRO A 15 6.053 12.441 1.496 1.00 0.00 C ATOM 190 O PRO A 15 5.849 13.146 0.507 1.00 0.00 O ATOM 191 CB PRO A 15 8.199 13.237 2.526 1.00 0.00 C ATOM 192 CG PRO A 15 8.955 13.859 1.404 1.00 0.00 C ATOM 193 CD PRO A 15 9.349 12.729 0.493 1.00 0.00 C ATOM 0 HA PRO A 15 7.353 11.198 2.566 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.495 13.942 2.968 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.868 12.913 3.323 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.341 14.589 0.877 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.834 14.388 1.772 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.371 13.043 -0.551 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.341 12.347 0.732 1.00 0.00 H new ATOM 201 N TYR A 16 5.077 11.981 2.270 1.00 0.00 N ATOM 202 CA TYR A 16 3.677 12.283 1.997 1.00 0.00 C ATOM 203 C TYR A 16 2.901 12.489 3.294 1.00 0.00 C ATOM 204 O TYR A 16 2.794 11.579 4.116 1.00 0.00 O ATOM 205 CB TYR A 16 3.041 11.157 1.181 1.00 0.00 C ATOM 206 CG TYR A 16 1.593 11.411 0.825 1.00 0.00 C ATOM 207 CD1 TYR A 16 1.254 12.259 -0.223 1.00 0.00 C ATOM 208 CD2 TYR A 16 0.565 10.805 1.536 1.00 0.00 C ATOM 209 CE1 TYR A 16 -0.067 12.494 -0.552 1.00 0.00 C ATOM 210 CE2 TYR A 16 -0.758 11.034 1.213 1.00 0.00 C ATOM 211 CZ TYR A 16 -1.069 11.879 0.169 1.00 0.00 C ATOM 212 OH TYR A 16 -2.387 12.111 -0.155 1.00 0.00 O ATOM 0 H TYR A 16 5.230 11.397 3.092 1.00 0.00 H new ATOM 0 HA TYR A 16 3.636 13.207 1.421 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.613 11.017 0.264 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.110 10.227 1.745 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.036 12.742 -0.789 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.804 10.143 2.355 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.314 13.156 -1.369 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.545 10.554 1.775 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.818 11.265 -0.398 1.00 0.00 H new ATOM 222 N GLU A 17 2.360 13.690 3.469 1.00 0.00 N ATOM 223 CA GLU A 17 1.593 14.016 4.666 1.00 0.00 C ATOM 224 C GLU A 17 0.101 13.800 4.431 1.00 0.00 C ATOM 225 O GLU A 17 -0.534 14.542 3.682 1.00 0.00 O ATOM 226 CB GLU A 17 1.851 15.465 5.085 1.00 0.00 C ATOM 227 CG GLU A 17 1.525 15.744 6.543 1.00 0.00 C ATOM 228 CD GLU A 17 2.520 15.108 7.494 1.00 0.00 C ATOM 229 OE1 GLU A 17 3.196 14.140 7.088 1.00 0.00 O ATOM 230 OE2 GLU A 17 2.622 15.580 8.646 1.00 0.00 O ATOM 0 H GLU A 17 2.438 14.454 2.797 1.00 0.00 H new ATOM 0 HA GLU A 17 1.917 13.351 5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.898 15.706 4.903 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.257 16.128 4.455 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.508 16.821 6.708 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.525 15.371 6.766 1.00 0.00 H new ATOM 237 N ALA A 18 -0.452 12.779 5.077 1.00 0.00 N ATOM 238 CA ALA A 18 -1.869 12.466 4.940 1.00 0.00 C ATOM 239 C ALA A 18 -2.735 13.645 5.367 1.00 0.00 C ATOM 240 O ALA A 18 -2.524 14.229 6.430 1.00 0.00 O ATOM 241 CB ALA A 18 -2.217 11.230 5.756 1.00 0.00 C ATOM 0 H ALA A 18 0.060 12.155 5.700 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.071 12.263 3.888 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.278 11.007 5.645 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.630 10.383 5.402 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.993 11.413 6.807 1.00 0.00 H new ATOM 247 N GLN A 19 -3.709 13.991 4.532 1.00 0.00 N ATOM 248 CA GLN A 19 -4.607 15.103 4.824 1.00 0.00 C ATOM 249 C GLN A 19 -5.837 14.624 5.587 1.00 0.00 C ATOM 250 O GLN A 19 -6.292 15.278 6.523 1.00 0.00 O ATOM 251 CB GLN A 19 -5.033 15.795 3.528 1.00 0.00 C ATOM 252 CG GLN A 19 -6.009 16.941 3.743 1.00 0.00 C ATOM 253 CD GLN A 19 -5.986 17.948 2.610 1.00 0.00 C ATOM 254 OE1 GLN A 19 -6.111 17.586 1.440 1.00 0.00 O ATOM 255 NE2 GLN A 19 -5.825 19.221 2.952 1.00 0.00 N ATOM 0 H GLN A 19 -3.897 13.518 3.648 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.070 15.816 5.449 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.146 16.174 3.020 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.490 15.059 2.866 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.017 16.540 3.847 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.769 17.447 4.678 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.725 19.476 3.934 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.801 19.943 2.232 1.00 0.00 H new ATOM 264 N ASN A 20 -6.371 13.477 5.179 1.00 0.00 N ATOM 265 CA ASN A 20 -7.550 12.910 5.824 1.00 0.00 C ATOM 266 C ASN A 20 -7.208 11.599 6.525 1.00 0.00 C ATOM 267 O ASN A 20 -6.134 11.034 6.319 1.00 0.00 O ATOM 268 CB ASN A 20 -8.658 12.678 4.795 1.00 0.00 C ATOM 269 CG ASN A 20 -8.809 13.842 3.834 1.00 0.00 C ATOM 270 OD1 ASN A 20 -8.686 13.679 2.620 1.00 0.00 O ATOM 271 ND2 ASN A 20 -9.075 15.024 4.376 1.00 0.00 N ATOM 0 H ASN A 20 -6.006 12.922 4.405 1.00 0.00 H new ATOM 0 HA ASN A 20 -7.902 13.620 6.572 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.442 11.771 4.231 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -9.603 12.514 5.313 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -9.186 15.845 3.781 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -9.168 15.112 5.388 1.00 0.00 H new ATOM 278 N ASP A 21 -8.130 11.121 7.354 1.00 0.00 N ATOM 279 CA ASP A 21 -7.928 9.875 8.085 1.00 0.00 C ATOM 280 C ASP A 21 -7.560 8.741 7.135 1.00 0.00 C ATOM 281 O ASP A 21 -6.635 7.972 7.399 1.00 0.00 O ATOM 282 CB ASP A 21 -9.189 9.510 8.871 1.00 0.00 C ATOM 283 CG ASP A 21 -9.410 10.417 10.065 1.00 0.00 C ATOM 284 OD1 ASP A 21 -8.526 10.463 10.946 1.00 0.00 O ATOM 285 OD2 ASP A 21 -10.467 11.079 10.121 1.00 0.00 O ATOM 0 H ASP A 21 -9.024 11.577 7.536 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.104 10.022 8.783 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.054 9.566 8.211 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.115 8.477 9.212 1.00 0.00 H new ATOM 290 N ASP A 22 -8.289 8.642 6.029 1.00 0.00 N ATOM 291 CA ASP A 22 -8.039 7.601 5.038 1.00 0.00 C ATOM 292 C ASP A 22 -6.578 7.607 4.601 1.00 0.00 C ATOM 293 O ASP A 22 -5.912 6.572 4.615 1.00 0.00 O ATOM 294 CB ASP A 22 -8.949 7.794 3.824 1.00 0.00 C ATOM 295 CG ASP A 22 -10.369 7.333 4.085 1.00 0.00 C ATOM 296 OD1 ASP A 22 -10.544 6.187 4.551 1.00 0.00 O ATOM 297 OD2 ASP A 22 -11.305 8.116 3.823 1.00 0.00 O ATOM 0 H ASP A 22 -9.058 9.270 5.796 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.258 6.637 5.496 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.958 8.847 3.544 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.541 7.243 2.977 1.00 0.00 H new ATOM 302 N GLU A 23 -6.086 8.780 4.212 1.00 0.00 N ATOM 303 CA GLU A 23 -4.704 8.919 3.769 1.00 0.00 C ATOM 304 C GLU A 23 -3.734 8.504 4.872 1.00 0.00 C ATOM 305 O GLU A 23 -3.954 8.794 6.049 1.00 0.00 O ATOM 306 CB GLU A 23 -4.424 10.362 3.345 1.00 0.00 C ATOM 307 CG GLU A 23 -5.369 10.875 2.272 1.00 0.00 C ATOM 308 CD GLU A 23 -4.759 11.987 1.440 1.00 0.00 C ATOM 309 OE1 GLU A 23 -3.874 12.699 1.958 1.00 0.00 O ATOM 310 OE2 GLU A 23 -5.168 12.144 0.271 1.00 0.00 O ATOM 0 H GLU A 23 -6.624 9.646 4.195 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.556 8.261 2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.495 11.009 4.219 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.400 10.432 2.979 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.652 10.050 1.618 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.283 11.237 2.742 1.00 0.00 H new ATOM 317 N LEU A 24 -2.662 7.822 4.484 1.00 0.00 N ATOM 318 CA LEU A 24 -1.658 7.366 5.438 1.00 0.00 C ATOM 319 C LEU A 24 -0.438 8.281 5.425 1.00 0.00 C ATOM 320 O LEU A 24 -0.048 8.798 4.378 1.00 0.00 O ATOM 321 CB LEU A 24 -1.237 5.930 5.119 1.00 0.00 C ATOM 322 CG LEU A 24 -0.102 5.359 5.969 1.00 0.00 C ATOM 323 CD1 LEU A 24 -0.649 4.742 7.246 1.00 0.00 C ATOM 324 CD2 LEU A 24 0.693 4.331 5.176 1.00 0.00 C ATOM 0 H LEU A 24 -2.466 7.573 3.515 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.100 7.396 6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.108 5.284 5.230 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.938 5.884 4.072 1.00 0.00 H new ATOM 0 HG LEU A 24 0.567 6.175 6.242 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.174 4.341 7.838 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.173 5.504 7.823 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.341 3.938 6.994 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.497 3.935 5.797 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.035 3.517 4.872 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.118 4.804 4.290 1.00 0.00 H new ATOM 336 N THR A 25 0.162 8.476 6.595 1.00 0.00 N ATOM 337 CA THR A 25 1.339 9.327 6.718 1.00 0.00 C ATOM 338 C THR A 25 2.622 8.515 6.588 1.00 0.00 C ATOM 339 O THR A 25 2.943 7.702 7.456 1.00 0.00 O ATOM 340 CB THR A 25 1.352 10.076 8.064 1.00 0.00 C ATOM 341 OG1 THR A 25 0.117 10.777 8.247 1.00 0.00 O ATOM 342 CG2 THR A 25 2.512 11.058 8.125 1.00 0.00 C ATOM 0 H THR A 25 -0.148 8.056 7.471 1.00 0.00 H new ATOM 0 HA THR A 25 1.290 10.053 5.907 1.00 0.00 H new ATOM 0 HB THR A 25 1.474 9.343 8.861 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.133 11.249 9.106 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.501 11.575 9.084 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.452 10.518 8.015 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.415 11.786 7.319 1.00 0.00 H new ATOM 350 N ILE A 26 3.352 8.739 5.501 1.00 0.00 N ATOM 351 CA ILE A 26 4.601 8.028 5.260 1.00 0.00 C ATOM 352 C ILE A 26 5.759 9.001 5.065 1.00 0.00 C ATOM 353 O ILE A 26 5.601 10.055 4.449 1.00 0.00 O ATOM 354 CB ILE A 26 4.500 7.114 4.025 1.00 0.00 C ATOM 355 CG1 ILE A 26 4.367 7.953 2.752 1.00 0.00 C ATOM 356 CG2 ILE A 26 3.320 6.164 4.164 1.00 0.00 C ATOM 357 CD1 ILE A 26 4.457 7.140 1.480 1.00 0.00 C ATOM 0 H ILE A 26 3.100 9.407 4.773 1.00 0.00 H new ATOM 0 HA ILE A 26 4.789 7.415 6.141 1.00 0.00 H new ATOM 0 HB ILE A 26 5.412 6.522 3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.412 8.478 2.771 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.149 8.713 2.744 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.262 5.525 3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.453 5.547 5.052 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.399 6.739 4.256 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.355 7.800 0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.422 6.636 1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.659 6.398 1.465 1.00 0.00 H new ATOM 369 N LYS A 27 6.924 8.640 5.593 1.00 0.00 N ATOM 370 CA LYS A 27 8.110 9.478 5.475 1.00 0.00 C ATOM 371 C LYS A 27 9.240 8.727 4.778 1.00 0.00 C ATOM 372 O LYS A 27 9.274 7.498 4.782 1.00 0.00 O ATOM 373 CB LYS A 27 8.570 9.944 6.859 1.00 0.00 C ATOM 374 CG LYS A 27 8.826 8.804 7.830 1.00 0.00 C ATOM 375 CD LYS A 27 8.723 9.268 9.273 1.00 0.00 C ATOM 376 CE LYS A 27 7.277 9.512 9.679 1.00 0.00 C ATOM 377 NZ LYS A 27 7.169 9.996 11.083 1.00 0.00 N ATOM 0 H LYS A 27 7.071 7.772 6.107 1.00 0.00 H new ATOM 0 HA LYS A 27 7.851 10.349 4.873 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.483 10.530 6.751 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.814 10.606 7.280 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.107 8.004 7.652 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.817 8.387 7.651 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.165 8.518 9.930 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.298 10.185 9.403 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.830 10.245 9.007 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.708 8.589 9.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.168 10.150 11.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.573 9.286 11.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.690 10.890 11.183 1.00 0.00 H new ATOM 391 N GLU A 28 10.163 9.476 4.182 1.00 0.00 N ATOM 392 CA GLU A 28 11.295 8.879 3.482 1.00 0.00 C ATOM 393 C GLU A 28 12.130 8.022 4.429 1.00 0.00 C ATOM 394 O GLU A 28 12.765 8.534 5.350 1.00 0.00 O ATOM 395 CB GLU A 28 12.169 9.969 2.858 1.00 0.00 C ATOM 396 CG GLU A 28 13.246 9.429 1.932 1.00 0.00 C ATOM 397 CD GLU A 28 14.516 9.053 2.671 1.00 0.00 C ATOM 398 OE1 GLU A 28 14.957 9.844 3.531 1.00 0.00 O ATOM 399 OE2 GLU A 28 15.067 7.969 2.391 1.00 0.00 O ATOM 0 H GLU A 28 10.149 10.496 4.170 1.00 0.00 H new ATOM 0 HA GLU A 28 10.904 8.239 2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.534 10.657 2.300 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.641 10.545 3.654 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.863 8.554 1.407 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.479 10.178 1.175 1.00 0.00 H new ATOM 406 N GLY A 29 12.123 6.713 4.195 1.00 0.00 N ATOM 407 CA GLY A 29 12.882 5.806 5.035 1.00 0.00 C ATOM 408 C GLY A 29 11.992 4.889 5.851 1.00 0.00 C ATOM 409 O GLY A 29 12.266 4.629 7.023 1.00 0.00 O ATOM 0 H GLY A 29 11.605 6.265 3.439 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.543 5.205 4.411 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.517 6.383 5.707 1.00 0.00 H new ATOM 413 N ASP A 30 10.923 4.401 5.232 1.00 0.00 N ATOM 414 CA ASP A 30 9.989 3.509 5.909 1.00 0.00 C ATOM 415 C ASP A 30 9.270 2.613 4.906 1.00 0.00 C ATOM 416 O ASP A 30 8.802 3.079 3.867 1.00 0.00 O ATOM 417 CB ASP A 30 8.969 4.318 6.712 1.00 0.00 C ATOM 418 CG ASP A 30 9.577 4.955 7.946 1.00 0.00 C ATOM 419 OD1 ASP A 30 10.147 6.060 7.823 1.00 0.00 O ATOM 420 OD2 ASP A 30 9.485 4.350 9.034 1.00 0.00 O ATOM 0 H ASP A 30 10.682 4.608 4.263 1.00 0.00 H new ATOM 0 HA ASP A 30 10.558 2.877 6.591 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.545 5.096 6.077 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.147 3.667 7.010 1.00 0.00 H new ATOM 425 N ILE A 31 9.186 1.325 5.224 1.00 0.00 N ATOM 426 CA ILE A 31 8.524 0.364 4.351 1.00 0.00 C ATOM 427 C ILE A 31 7.070 0.159 4.761 1.00 0.00 C ATOM 428 O ILE A 31 6.749 0.119 5.949 1.00 0.00 O ATOM 429 CB ILE A 31 9.246 -0.996 4.361 1.00 0.00 C ATOM 430 CG1 ILE A 31 10.617 -0.876 3.692 1.00 0.00 C ATOM 431 CG2 ILE A 31 8.400 -2.050 3.661 1.00 0.00 C ATOM 432 CD1 ILE A 31 11.657 -0.206 4.563 1.00 0.00 C ATOM 0 H ILE A 31 9.568 0.923 6.080 1.00 0.00 H new ATOM 0 HA ILE A 31 8.559 0.777 3.343 1.00 0.00 H new ATOM 0 HB ILE A 31 9.394 -1.304 5.396 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.968 -1.871 3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.512 -0.311 2.765 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.924 -3.006 3.676 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.445 -2.151 4.177 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.225 -1.749 2.628 1.00 0.00 H new ATOM 0 HD11 ILE A 31 12.604 -0.155 4.025 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.327 0.802 4.813 1.00 0.00 H new ATOM 0 HD13 ILE A 31 11.790 -0.782 5.479 1.00 0.00 H new ATOM 444 N VAL A 32 6.194 0.027 3.770 1.00 0.00 N ATOM 445 CA VAL A 32 4.774 -0.178 4.028 1.00 0.00 C ATOM 446 C VAL A 32 4.273 -1.456 3.364 1.00 0.00 C ATOM 447 O VAL A 32 4.482 -1.671 2.169 1.00 0.00 O ATOM 448 CB VAL A 32 3.935 1.012 3.525 1.00 0.00 C ATOM 449 CG1 VAL A 32 2.470 0.824 3.889 1.00 0.00 C ATOM 450 CG2 VAL A 32 4.471 2.318 4.092 1.00 0.00 C ATOM 0 H VAL A 32 6.443 0.058 2.781 1.00 0.00 H new ATOM 0 HA VAL A 32 4.658 -0.264 5.108 1.00 0.00 H new ATOM 0 HB VAL A 32 4.012 1.056 2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.893 1.674 3.526 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.096 -0.091 3.430 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.370 0.754 4.972 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.867 3.148 3.727 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.426 2.288 5.181 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.505 2.455 3.776 1.00 0.00 H new ATOM 460 N THR A 33 3.610 -2.302 4.145 1.00 0.00 N ATOM 461 CA THR A 33 3.079 -3.560 3.633 1.00 0.00 C ATOM 462 C THR A 33 1.833 -3.327 2.788 1.00 0.00 C ATOM 463 O THR A 33 0.794 -2.903 3.297 1.00 0.00 O ATOM 464 CB THR A 33 2.735 -4.531 4.778 1.00 0.00 C ATOM 465 OG1 THR A 33 3.897 -4.776 5.579 1.00 0.00 O ATOM 466 CG2 THR A 33 2.206 -5.848 4.229 1.00 0.00 C ATOM 0 H THR A 33 3.427 -2.139 5.135 1.00 0.00 H new ATOM 0 HA THR A 33 3.858 -4.003 3.012 1.00 0.00 H new ATOM 0 HB THR A 33 1.960 -4.073 5.393 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.524 -5.341 5.081 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.970 -6.518 5.056 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.306 -5.663 3.643 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.963 -6.308 3.594 1.00 0.00 H new ATOM 474 N LEU A 34 1.941 -3.606 1.494 1.00 0.00 N ATOM 475 CA LEU A 34 0.821 -3.428 0.576 1.00 0.00 C ATOM 476 C LEU A 34 -0.350 -4.325 0.965 1.00 0.00 C ATOM 477 O LEU A 34 -0.301 -5.542 0.779 1.00 0.00 O ATOM 478 CB LEU A 34 1.257 -3.732 -0.858 1.00 0.00 C ATOM 479 CG LEU A 34 0.513 -2.978 -1.961 1.00 0.00 C ATOM 480 CD1 LEU A 34 0.780 -1.485 -1.859 1.00 0.00 C ATOM 481 CD2 LEU A 34 0.916 -3.502 -3.331 1.00 0.00 C ATOM 0 H LEU A 34 2.793 -3.957 1.056 1.00 0.00 H new ATOM 0 HA LEU A 34 0.495 -2.390 0.637 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.320 -3.510 -0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.139 -4.801 -1.033 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.556 -3.145 -1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.243 -0.964 -2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.440 -1.120 -0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.849 -1.299 -1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.377 -2.954 -4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.988 -3.366 -3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.672 -4.562 -3.401 1.00 0.00 H new ATOM 493 N ILE A 35 -1.401 -3.717 1.503 1.00 0.00 N ATOM 494 CA ILE A 35 -2.585 -4.461 1.915 1.00 0.00 C ATOM 495 C ILE A 35 -3.392 -4.924 0.706 1.00 0.00 C ATOM 496 O ILE A 35 -3.615 -6.118 0.516 1.00 0.00 O ATOM 497 CB ILE A 35 -3.491 -3.616 2.829 1.00 0.00 C ATOM 498 CG1 ILE A 35 -2.831 -3.416 4.195 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.852 -4.279 2.985 1.00 0.00 C ATOM 500 CD1 ILE A 35 -2.550 -4.711 4.925 1.00 0.00 C ATOM 0 H ILE A 35 -1.457 -2.711 1.664 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.233 -5.331 2.469 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.635 -2.638 2.369 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.895 -2.873 4.062 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.476 -2.792 4.814 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.481 -3.670 3.634 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.324 -4.375 2.007 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.727 -5.268 3.426 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.082 -4.493 5.885 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.485 -5.246 5.090 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.880 -5.328 4.326 1.00 0.00 H new ATOM 512 N ASN A 36 -3.825 -3.968 -0.110 1.00 0.00 N ATOM 513 CA ASN A 36 -4.606 -4.277 -1.302 1.00 0.00 C ATOM 514 C ASN A 36 -4.326 -3.269 -2.412 1.00 0.00 C ATOM 515 O ASN A 36 -4.029 -2.103 -2.148 1.00 0.00 O ATOM 516 CB ASN A 36 -6.100 -4.286 -0.971 1.00 0.00 C ATOM 517 CG ASN A 36 -6.591 -5.658 -0.551 1.00 0.00 C ATOM 518 OD1 ASN A 36 -7.330 -6.316 -1.284 1.00 0.00 O ATOM 519 ND2 ASN A 36 -6.180 -6.097 0.633 1.00 0.00 N ATOM 0 H ASN A 36 -3.648 -2.974 0.033 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.312 -5.267 -1.651 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.296 -3.572 -0.171 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.664 -3.952 -1.842 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -6.477 -7.014 0.968 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.568 -5.518 1.207 1.00 0.00 H new ATOM 526 N LYS A 37 -4.424 -3.724 -3.657 1.00 0.00 N ATOM 527 CA LYS A 37 -4.183 -2.863 -4.808 1.00 0.00 C ATOM 528 C LYS A 37 -5.293 -1.827 -4.954 1.00 0.00 C ATOM 529 O LYS A 37 -6.355 -1.951 -4.344 1.00 0.00 O ATOM 530 CB LYS A 37 -4.084 -3.701 -6.085 1.00 0.00 C ATOM 531 CG LYS A 37 -2.843 -4.576 -6.143 1.00 0.00 C ATOM 532 CD LYS A 37 -2.477 -4.930 -7.575 1.00 0.00 C ATOM 533 CE LYS A 37 -1.072 -5.506 -7.664 1.00 0.00 C ATOM 534 NZ LYS A 37 -0.562 -5.511 -9.064 1.00 0.00 N ATOM 0 H LYS A 37 -4.669 -4.685 -3.894 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.240 -2.340 -4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.968 -4.333 -6.164 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.090 -3.035 -6.948 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.009 -4.057 -5.671 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.014 -5.490 -5.574 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.193 -5.652 -7.967 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.547 -4.040 -8.200 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.400 -4.923 -7.035 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.071 -6.524 -7.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.398 -5.911 -9.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.189 -6.088 -9.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.538 -4.537 -9.428 1.00 0.00 H new ATOM 548 N ASP A 38 -5.040 -0.806 -5.765 1.00 0.00 N ATOM 549 CA ASP A 38 -6.018 0.251 -5.993 1.00 0.00 C ATOM 550 C ASP A 38 -6.895 -0.070 -7.199 1.00 0.00 C ATOM 551 O ASP A 38 -6.546 -0.914 -8.026 1.00 0.00 O ATOM 552 CB ASP A 38 -5.313 1.592 -6.202 1.00 0.00 C ATOM 553 CG ASP A 38 -6.287 2.723 -6.467 1.00 0.00 C ATOM 554 OD1 ASP A 38 -7.112 3.017 -5.576 1.00 0.00 O ATOM 555 OD2 ASP A 38 -6.223 3.316 -7.564 1.00 0.00 O ATOM 0 H ASP A 38 -4.165 -0.688 -6.276 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.655 0.318 -5.111 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.718 1.828 -5.320 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.621 1.509 -7.040 1.00 0.00 H new ATOM 560 N CYS A 39 -8.034 0.606 -7.293 1.00 0.00 N ATOM 561 CA CYS A 39 -8.962 0.392 -8.397 1.00 0.00 C ATOM 562 C CYS A 39 -8.246 0.505 -9.739 1.00 0.00 C ATOM 563 O CYS A 39 -7.142 1.043 -9.821 1.00 0.00 O ATOM 564 CB CYS A 39 -10.109 1.401 -8.331 1.00 0.00 C ATOM 565 SG CYS A 39 -11.308 1.071 -7.018 1.00 0.00 S ATOM 0 H CYS A 39 -8.337 1.307 -6.617 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.369 -0.615 -8.306 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -9.693 2.398 -8.187 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.628 1.408 -9.289 1.00 0.00 H new ATOM 0 HG CYS A 39 -12.238 1.979 -7.041 1.00 0.00 H new ATOM 571 N ILE A 40 -8.881 -0.007 -10.788 1.00 0.00 N ATOM 572 CA ILE A 40 -8.304 0.036 -12.126 1.00 0.00 C ATOM 573 C ILE A 40 -7.450 1.285 -12.316 1.00 0.00 C ATOM 574 O ILE A 40 -6.455 1.265 -13.041 1.00 0.00 O ATOM 575 CB ILE A 40 -9.396 0.005 -13.211 1.00 0.00 C ATOM 576 CG1 ILE A 40 -10.215 -1.283 -13.105 1.00 0.00 C ATOM 577 CG2 ILE A 40 -8.773 0.131 -14.593 1.00 0.00 C ATOM 578 CD1 ILE A 40 -11.639 -1.136 -13.593 1.00 0.00 C ATOM 0 H ILE A 40 -9.795 -0.456 -10.737 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.677 -0.850 -12.228 1.00 0.00 H new ATOM 0 HB ILE A 40 -10.065 0.852 -13.057 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -9.721 -2.066 -13.681 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -10.228 -1.611 -12.066 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -9.558 0.107 -15.349 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -8.230 1.073 -14.663 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -8.084 -0.698 -14.759 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -12.160 -2.088 -13.488 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -12.150 -0.376 -13.002 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -11.635 -0.838 -14.641 1.00 0.00 H new ATOM 590 N ASP A 41 -7.843 2.370 -11.658 1.00 0.00 N ATOM 591 CA ASP A 41 -7.112 3.628 -11.751 1.00 0.00 C ATOM 592 C ASP A 41 -5.756 3.521 -11.060 1.00 0.00 C ATOM 593 O ASP A 41 -5.674 3.173 -9.882 1.00 0.00 O ATOM 594 CB ASP A 41 -7.927 4.764 -11.130 1.00 0.00 C ATOM 595 CG ASP A 41 -9.247 4.985 -11.842 1.00 0.00 C ATOM 596 OD1 ASP A 41 -10.246 4.344 -11.454 1.00 0.00 O ATOM 597 OD2 ASP A 41 -9.281 5.801 -12.787 1.00 0.00 O ATOM 0 H ASP A 41 -8.664 2.404 -11.054 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.946 3.846 -12.806 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.117 4.540 -10.080 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.343 5.684 -11.159 1.00 0.00 H new ATOM 602 N VAL A 42 -4.694 3.823 -11.801 1.00 0.00 N ATOM 603 CA VAL A 42 -3.342 3.761 -11.260 1.00 0.00 C ATOM 604 C VAL A 42 -2.946 5.085 -10.616 1.00 0.00 C ATOM 605 O VAL A 42 -3.417 6.148 -11.019 1.00 0.00 O ATOM 606 CB VAL A 42 -2.316 3.407 -12.352 1.00 0.00 C ATOM 607 CG1 VAL A 42 -0.990 3.000 -11.728 1.00 0.00 C ATOM 608 CG2 VAL A 42 -2.853 2.302 -13.250 1.00 0.00 C ATOM 0 H VAL A 42 -4.745 4.113 -12.778 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.340 2.977 -10.503 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.145 4.292 -12.965 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.278 2.754 -12.515 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.600 3.825 -11.131 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.140 2.130 -11.089 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.115 2.065 -14.016 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.054 1.413 -12.652 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.775 2.636 -13.726 1.00 0.00 H new ATOM 618 N GLY A 43 -2.077 5.013 -9.612 1.00 0.00 N ATOM 619 CA GLY A 43 -1.632 6.213 -8.929 1.00 0.00 C ATOM 620 C GLY A 43 -1.933 6.179 -7.443 1.00 0.00 C ATOM 621 O GLY A 43 -1.404 6.986 -6.678 1.00 0.00 O ATOM 0 H GLY A 43 -1.674 4.145 -9.260 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.559 6.335 -9.077 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.116 7.082 -9.375 1.00 0.00 H new ATOM 625 N TRP A 44 -2.784 5.246 -7.035 1.00 0.00 N ATOM 626 CA TRP A 44 -3.156 5.112 -5.631 1.00 0.00 C ATOM 627 C TRP A 44 -2.924 3.687 -5.140 1.00 0.00 C ATOM 628 O TRP A 44 -2.868 2.749 -5.934 1.00 0.00 O ATOM 629 CB TRP A 44 -4.621 5.501 -5.430 1.00 0.00 C ATOM 630 CG TRP A 44 -4.947 6.871 -5.944 1.00 0.00 C ATOM 631 CD1 TRP A 44 -5.453 7.187 -7.173 1.00 0.00 C ATOM 632 CD2 TRP A 44 -4.789 8.109 -5.243 1.00 0.00 C ATOM 633 NE1 TRP A 44 -5.618 8.547 -7.278 1.00 0.00 N ATOM 634 CE2 TRP A 44 -5.219 9.135 -6.107 1.00 0.00 C ATOM 635 CE3 TRP A 44 -4.328 8.451 -3.969 1.00 0.00 C ATOM 636 CZ2 TRP A 44 -5.199 10.477 -5.737 1.00 0.00 C ATOM 637 CZ3 TRP A 44 -4.309 9.784 -3.603 1.00 0.00 C ATOM 638 CH2 TRP A 44 -4.743 10.783 -4.483 1.00 0.00 C ATOM 0 H TRP A 44 -3.230 4.571 -7.656 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.526 5.785 -5.049 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -5.256 4.771 -5.933 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -4.860 5.453 -4.368 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.689 6.473 -7.948 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.979 9.039 -8.095 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.993 7.688 -3.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.531 11.249 -6.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -3.953 10.060 -2.621 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -4.717 11.815 -4.166 1.00 0.00 H new ATOM 649 N TRP A 45 -2.790 3.533 -3.828 1.00 0.00 N ATOM 650 CA TRP A 45 -2.564 2.221 -3.231 1.00 0.00 C ATOM 651 C TRP A 45 -2.833 2.251 -1.731 1.00 0.00 C ATOM 652 O TRP A 45 -2.712 3.295 -1.091 1.00 0.00 O ATOM 653 CB TRP A 45 -1.130 1.758 -3.496 1.00 0.00 C ATOM 654 CG TRP A 45 -0.959 1.084 -4.823 1.00 0.00 C ATOM 655 CD1 TRP A 45 -1.933 0.487 -5.571 1.00 0.00 C ATOM 656 CD2 TRP A 45 0.261 0.935 -5.558 1.00 0.00 C ATOM 657 NE1 TRP A 45 -1.393 -0.023 -6.727 1.00 0.00 N ATOM 658 CE2 TRP A 45 -0.048 0.239 -6.743 1.00 0.00 C ATOM 659 CE3 TRP A 45 1.584 1.324 -5.331 1.00 0.00 C ATOM 660 CZ2 TRP A 45 0.918 -0.075 -7.695 1.00 0.00 C ATOM 661 CZ3 TRP A 45 2.542 1.011 -6.277 1.00 0.00 C ATOM 662 CH2 TRP A 45 2.205 0.318 -7.447 1.00 0.00 C ATOM 0 H TRP A 45 -2.834 4.300 -3.157 1.00 0.00 H new ATOM 0 HA TRP A 45 -3.257 1.516 -3.690 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.463 2.618 -3.445 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -0.826 1.071 -2.706 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -2.975 0.425 -5.294 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.909 -0.517 -7.455 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.853 1.860 -4.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.661 -0.610 -8.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.568 1.306 -6.111 1.00 0.00 H new ATOM 0 HH2 TRP A 45 2.976 0.089 -8.168 1.00 0.00 H new ATOM 673 N GLU A 46 -3.198 1.100 -1.176 1.00 0.00 N ATOM 674 CA GLU A 46 -3.485 0.997 0.250 1.00 0.00 C ATOM 675 C GLU A 46 -2.443 0.132 0.953 1.00 0.00 C ATOM 676 O GLU A 46 -2.142 -0.977 0.514 1.00 0.00 O ATOM 677 CB GLU A 46 -4.881 0.412 0.471 1.00 0.00 C ATOM 678 CG GLU A 46 -5.559 0.914 1.735 1.00 0.00 C ATOM 679 CD GLU A 46 -7.070 0.814 1.666 1.00 0.00 C ATOM 680 OE1 GLU A 46 -7.610 -0.256 2.017 1.00 0.00 O ATOM 681 OE2 GLU A 46 -7.713 1.805 1.262 1.00 0.00 O ATOM 0 H GLU A 46 -3.302 0.226 -1.692 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.447 2.000 0.675 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.507 0.654 -0.388 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.807 -0.675 0.515 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.199 0.339 2.588 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.275 1.952 1.907 1.00 0.00 H new ATOM 688 N GLY A 47 -1.894 0.650 2.048 1.00 0.00 N ATOM 689 CA GLY A 47 -0.891 -0.086 2.795 1.00 0.00 C ATOM 690 C GLY A 47 -1.020 0.113 4.292 1.00 0.00 C ATOM 691 O GLY A 47 -1.638 1.076 4.745 1.00 0.00 O ATOM 0 H GLY A 47 -2.126 1.566 2.431 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.977 -1.148 2.564 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.101 0.230 2.474 1.00 0.00 H new ATOM 695 N GLU A 48 -0.437 -0.801 5.061 1.00 0.00 N ATOM 696 CA GLU A 48 -0.493 -0.722 6.516 1.00 0.00 C ATOM 697 C GLU A 48 0.865 -0.336 7.093 1.00 0.00 C ATOM 698 O GLU A 48 1.860 -1.033 6.889 1.00 0.00 O ATOM 699 CB GLU A 48 -0.948 -2.059 7.105 1.00 0.00 C ATOM 700 CG GLU A 48 -1.587 -1.934 8.478 1.00 0.00 C ATOM 701 CD GLU A 48 -2.128 -3.254 8.992 1.00 0.00 C ATOM 702 OE1 GLU A 48 -3.173 -3.706 8.478 1.00 0.00 O ATOM 703 OE2 GLU A 48 -1.508 -3.835 9.906 1.00 0.00 O ATOM 0 H GLU A 48 0.079 -1.604 4.701 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.215 0.049 6.784 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.660 -2.523 6.423 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.090 -2.727 7.173 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.851 -1.548 9.183 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.397 -1.206 8.433 1.00 0.00 H new ATOM 710 N LEU A 49 0.900 0.780 7.813 1.00 0.00 N ATOM 711 CA LEU A 49 2.137 1.261 8.419 1.00 0.00 C ATOM 712 C LEU A 49 1.937 1.557 9.902 1.00 0.00 C ATOM 713 O LEU A 49 1.240 2.503 10.268 1.00 0.00 O ATOM 714 CB LEU A 49 2.626 2.519 7.698 1.00 0.00 C ATOM 715 CG LEU A 49 3.878 3.180 8.277 1.00 0.00 C ATOM 716 CD1 LEU A 49 5.090 2.281 8.091 1.00 0.00 C ATOM 717 CD2 LEU A 49 4.112 4.536 7.628 1.00 0.00 C ATOM 0 H LEU A 49 0.086 1.369 7.991 1.00 0.00 H new ATOM 0 HA LEU A 49 2.889 0.478 8.321 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.823 2.264 6.657 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.819 3.252 7.700 1.00 0.00 H new ATOM 0 HG LEU A 49 3.725 3.332 9.345 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.971 2.767 8.509 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.922 1.333 8.602 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.247 2.097 7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.007 4.993 8.051 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.244 4.407 6.554 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.253 5.181 7.813 1.00 0.00 H new ATOM 729 N ASN A 50 2.555 0.743 10.751 1.00 0.00 N ATOM 730 CA ASN A 50 2.446 0.919 12.195 1.00 0.00 C ATOM 731 C ASN A 50 1.021 0.649 12.670 1.00 0.00 C ATOM 732 O ASN A 50 0.550 1.258 13.629 1.00 0.00 O ATOM 733 CB ASN A 50 2.868 2.335 12.591 1.00 0.00 C ATOM 734 CG ASN A 50 4.173 2.752 11.940 1.00 0.00 C ATOM 735 OD1 ASN A 50 4.907 1.920 11.407 1.00 0.00 O ATOM 736 ND2 ASN A 50 4.467 4.046 11.982 1.00 0.00 N ATOM 0 H ASN A 50 3.136 -0.045 10.465 1.00 0.00 H new ATOM 0 HA ASN A 50 3.112 0.202 12.674 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.084 3.037 12.309 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.971 2.391 13.675 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.332 4.386 11.561 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.828 4.700 12.435 1.00 0.00 H new ATOM 743 N GLY A 51 0.340 -0.269 11.991 1.00 0.00 N ATOM 744 CA GLY A 51 -1.024 -0.603 12.358 1.00 0.00 C ATOM 745 C GLY A 51 -2.044 0.275 11.661 1.00 0.00 C ATOM 746 O GLY A 51 -3.204 -0.109 11.510 1.00 0.00 O ATOM 0 H GLY A 51 0.708 -0.787 11.193 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.218 -1.647 12.111 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.141 -0.504 13.437 1.00 0.00 H new ATOM 750 N ARG A 52 -1.612 1.458 11.236 1.00 0.00 N ATOM 751 CA ARG A 52 -2.497 2.395 10.554 1.00 0.00 C ATOM 752 C ARG A 52 -2.580 2.077 9.064 1.00 0.00 C ATOM 753 O ARG A 52 -1.569 2.076 8.362 1.00 0.00 O ATOM 754 CB ARG A 52 -2.007 3.830 10.755 1.00 0.00 C ATOM 755 CG ARG A 52 -2.008 4.277 12.207 1.00 0.00 C ATOM 756 CD ARG A 52 -3.334 4.913 12.594 1.00 0.00 C ATOM 757 NE ARG A 52 -3.250 5.621 13.868 1.00 0.00 N ATOM 758 CZ ARG A 52 -4.308 5.922 14.613 1.00 0.00 C ATOM 759 NH1 ARG A 52 -5.524 5.577 14.213 1.00 0.00 N ATOM 760 NH2 ARG A 52 -4.151 6.568 15.761 1.00 0.00 N ATOM 0 H ARG A 52 -0.655 1.790 11.352 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.493 2.296 10.985 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.996 3.919 10.357 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.638 4.505 10.176 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.812 3.421 12.852 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.200 4.990 12.370 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.645 5.607 11.813 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.101 4.141 12.658 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.328 5.900 14.205 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.649 5.079 13.331 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.335 5.809 14.787 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.217 6.834 16.073 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.964 6.798 16.332 1.00 0.00 H new ATOM 774 N ARG A 53 -3.792 1.808 8.588 1.00 0.00 N ATOM 775 CA ARG A 53 -4.006 1.488 7.182 1.00 0.00 C ATOM 776 C ARG A 53 -4.674 2.651 6.455 1.00 0.00 C ATOM 777 O ARG A 53 -5.743 3.113 6.852 1.00 0.00 O ATOM 778 CB ARG A 53 -4.866 0.229 7.050 1.00 0.00 C ATOM 779 CG ARG A 53 -4.554 -0.594 5.810 1.00 0.00 C ATOM 780 CD ARG A 53 -5.745 -1.441 5.390 1.00 0.00 C ATOM 781 NE ARG A 53 -6.928 -0.627 5.123 1.00 0.00 N ATOM 782 CZ ARG A 53 -7.857 -0.359 6.035 1.00 0.00 C ATOM 783 NH1 ARG A 53 -7.739 -0.838 7.266 1.00 0.00 N ATOM 784 NH2 ARG A 53 -8.905 0.389 5.716 1.00 0.00 N ATOM 0 H ARG A 53 -4.640 1.805 9.155 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.034 1.307 6.724 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.723 -0.393 7.934 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.917 0.517 7.029 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.272 0.070 4.993 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.698 -1.240 6.006 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.488 -2.011 4.497 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.971 -2.163 6.175 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.048 -0.243 4.186 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.934 -1.413 7.514 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.453 -0.631 7.964 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.998 0.759 4.770 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.617 0.594 6.417 1.00 0.00 H new ATOM 798 N GLY A 54 -4.034 3.121 5.389 1.00 0.00 N ATOM 799 CA GLY A 54 -4.580 4.227 4.624 1.00 0.00 C ATOM 800 C GLY A 54 -4.074 4.250 3.195 1.00 0.00 C ATOM 801 O GLY A 54 -3.095 3.581 2.865 1.00 0.00 O ATOM 0 H GLY A 54 -3.147 2.756 5.041 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.668 4.160 4.620 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.321 5.166 5.113 1.00 0.00 H new ATOM 805 N VAL A 55 -4.744 5.021 2.344 1.00 0.00 N ATOM 806 CA VAL A 55 -4.357 5.127 0.942 1.00 0.00 C ATOM 807 C VAL A 55 -3.176 6.076 0.769 1.00 0.00 C ATOM 808 O VAL A 55 -2.901 6.907 1.634 1.00 0.00 O ATOM 809 CB VAL A 55 -5.529 5.620 0.072 1.00 0.00 C ATOM 810 CG1 VAL A 55 -6.644 4.586 0.043 1.00 0.00 C ATOM 811 CG2 VAL A 55 -6.044 6.958 0.582 1.00 0.00 C ATOM 0 H VAL A 55 -5.557 5.581 2.601 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.068 4.128 0.617 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.169 5.760 -0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.463 4.952 -0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.264 3.653 -0.372 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.005 4.412 1.057 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.872 7.292 -0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.388 6.847 1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.241 7.695 0.545 1.00 0.00 H new ATOM 821 N PHE A 56 -2.479 5.945 -0.355 1.00 0.00 N ATOM 822 CA PHE A 56 -1.326 6.790 -0.643 1.00 0.00 C ATOM 823 C PHE A 56 -0.962 6.728 -2.123 1.00 0.00 C ATOM 824 O PHE A 56 -1.215 5.738 -2.810 1.00 0.00 O ATOM 825 CB PHE A 56 -0.128 6.361 0.207 1.00 0.00 C ATOM 826 CG PHE A 56 0.298 4.941 -0.032 1.00 0.00 C ATOM 827 CD1 PHE A 56 0.792 4.550 -1.266 1.00 0.00 C ATOM 828 CD2 PHE A 56 0.205 3.997 0.978 1.00 0.00 C ATOM 829 CE1 PHE A 56 1.185 3.244 -1.489 1.00 0.00 C ATOM 830 CE2 PHE A 56 0.597 2.689 0.761 1.00 0.00 C ATOM 831 CZ PHE A 56 1.087 2.312 -0.474 1.00 0.00 C ATOM 0 H PHE A 56 -2.693 5.262 -1.081 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.590 7.818 -0.395 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.712 7.024 -0.002 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.377 6.485 1.261 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.871 5.274 -2.063 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.178 4.286 1.946 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.568 2.952 -2.456 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.520 1.963 1.557 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.393 1.291 -0.646 1.00 0.00 H new ATOM 841 N PRO A 57 -0.354 7.812 -2.628 1.00 0.00 N ATOM 842 CA PRO A 57 0.058 7.906 -4.032 1.00 0.00 C ATOM 843 C PRO A 57 1.225 6.979 -4.357 1.00 0.00 C ATOM 844 O PRO A 57 2.304 7.098 -3.778 1.00 0.00 O ATOM 845 CB PRO A 57 0.482 9.370 -4.179 1.00 0.00 C ATOM 846 CG PRO A 57 0.873 9.792 -2.805 1.00 0.00 C ATOM 847 CD PRO A 57 -0.021 9.028 -1.867 1.00 0.00 C ATOM 0 HA PRO A 57 -0.740 7.608 -4.712 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.313 9.473 -4.876 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.334 9.982 -4.564 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.922 9.569 -2.612 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.746 10.867 -2.676 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.487 8.791 -0.932 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.914 9.598 -1.609 1.00 0.00 H new ATOM 855 N ASP A 58 1.000 6.057 -5.286 1.00 0.00 N ATOM 856 CA ASP A 58 2.033 5.110 -5.690 1.00 0.00 C ATOM 857 C ASP A 58 3.299 5.841 -6.125 1.00 0.00 C ATOM 858 O ASP A 58 4.408 5.446 -5.767 1.00 0.00 O ATOM 859 CB ASP A 58 1.525 4.223 -6.827 1.00 0.00 C ATOM 860 CG ASP A 58 1.870 4.779 -8.195 1.00 0.00 C ATOM 861 OD1 ASP A 58 1.510 5.943 -8.470 1.00 0.00 O ATOM 862 OD2 ASP A 58 2.502 4.052 -8.989 1.00 0.00 O ATOM 0 H ASP A 58 0.111 5.945 -5.774 1.00 0.00 H new ATOM 0 HA ASP A 58 2.273 4.483 -4.831 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.953 3.226 -6.725 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.443 4.115 -6.744 1.00 0.00 H new ATOM 867 N ASN A 59 3.125 6.906 -6.900 1.00 0.00 N ATOM 868 CA ASN A 59 4.255 7.691 -7.385 1.00 0.00 C ATOM 869 C ASN A 59 5.215 8.024 -6.247 1.00 0.00 C ATOM 870 O ASN A 59 6.432 8.046 -6.433 1.00 0.00 O ATOM 871 CB ASN A 59 3.761 8.980 -8.044 1.00 0.00 C ATOM 872 CG ASN A 59 4.739 9.515 -9.073 1.00 0.00 C ATOM 873 OD1 ASN A 59 5.875 9.051 -9.165 1.00 0.00 O ATOM 874 ND2 ASN A 59 4.299 10.495 -9.853 1.00 0.00 N ATOM 0 H ASN A 59 2.213 7.246 -7.206 1.00 0.00 H new ATOM 0 HA ASN A 59 4.789 7.094 -8.124 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.799 8.795 -8.523 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.595 9.736 -7.277 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.911 10.894 -10.564 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.349 10.849 -9.741 1.00 0.00 H new ATOM 881 N PHE A 60 4.659 8.282 -5.067 1.00 0.00 N ATOM 882 CA PHE A 60 5.466 8.614 -3.899 1.00 0.00 C ATOM 883 C PHE A 60 6.299 7.415 -3.454 1.00 0.00 C ATOM 884 O PHE A 60 7.451 7.563 -3.047 1.00 0.00 O ATOM 885 CB PHE A 60 4.569 9.080 -2.750 1.00 0.00 C ATOM 886 CG PHE A 60 4.166 10.523 -2.851 1.00 0.00 C ATOM 887 CD1 PHE A 60 3.417 10.973 -3.927 1.00 0.00 C ATOM 888 CD2 PHE A 60 4.536 11.430 -1.871 1.00 0.00 C ATOM 889 CE1 PHE A 60 3.046 12.301 -4.023 1.00 0.00 C ATOM 890 CE2 PHE A 60 4.167 12.759 -1.962 1.00 0.00 C ATOM 891 CZ PHE A 60 3.420 13.195 -3.039 1.00 0.00 C ATOM 0 H PHE A 60 3.654 8.267 -4.895 1.00 0.00 H new ATOM 0 HA PHE A 60 6.143 9.422 -4.174 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.672 8.461 -2.726 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.090 8.922 -1.806 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.120 10.278 -4.699 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.119 11.095 -1.026 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.464 12.639 -4.867 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.462 13.456 -1.192 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.129 14.233 -3.111 1.00 0.00 H new ATOM 901 N VAL A 61 5.707 6.228 -3.535 1.00 0.00 N ATOM 902 CA VAL A 61 6.393 5.003 -3.142 1.00 0.00 C ATOM 903 C VAL A 61 6.857 4.217 -4.363 1.00 0.00 C ATOM 904 O VAL A 61 6.630 4.627 -5.502 1.00 0.00 O ATOM 905 CB VAL A 61 5.487 4.104 -2.280 1.00 0.00 C ATOM 906 CG1 VAL A 61 4.971 4.868 -1.071 1.00 0.00 C ATOM 907 CG2 VAL A 61 4.334 3.559 -3.109 1.00 0.00 C ATOM 0 H VAL A 61 4.753 6.089 -3.869 1.00 0.00 H new ATOM 0 HA VAL A 61 7.261 5.301 -2.554 1.00 0.00 H new ATOM 0 HB VAL A 61 6.077 3.261 -1.921 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.333 4.216 -0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.813 5.204 -0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.396 5.732 -1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.704 2.926 -2.484 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.743 4.388 -3.499 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.728 2.972 -3.939 1.00 0.00 H new ATOM 917 N LYS A 62 7.507 3.085 -4.119 1.00 0.00 N ATOM 918 CA LYS A 62 8.002 2.238 -5.198 1.00 0.00 C ATOM 919 C LYS A 62 7.889 0.763 -4.828 1.00 0.00 C ATOM 920 O LYS A 62 7.878 0.407 -3.649 1.00 0.00 O ATOM 921 CB LYS A 62 9.459 2.584 -5.518 1.00 0.00 C ATOM 922 CG LYS A 62 9.612 3.797 -6.419 1.00 0.00 C ATOM 923 CD LYS A 62 9.333 3.450 -7.872 1.00 0.00 C ATOM 924 CE LYS A 62 9.135 4.701 -8.715 1.00 0.00 C ATOM 925 NZ LYS A 62 9.225 4.407 -10.173 1.00 0.00 N ATOM 0 H LYS A 62 7.704 2.732 -3.182 1.00 0.00 H new ATOM 0 HA LYS A 62 7.389 2.421 -6.080 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.994 2.765 -4.586 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.931 1.725 -5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.929 4.582 -6.094 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.622 4.195 -6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.162 2.867 -8.274 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.443 2.824 -7.933 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.162 5.139 -8.492 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.887 5.443 -8.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.085 5.284 -10.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.162 4.013 -10.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.491 3.718 -10.434 1.00 0.00 H new ATOM 939 N LEU A 63 7.805 -0.092 -5.842 1.00 0.00 N ATOM 940 CA LEU A 63 7.694 -1.530 -5.623 1.00 0.00 C ATOM 941 C LEU A 63 9.073 -2.181 -5.569 1.00 0.00 C ATOM 942 O LEU A 63 9.876 -2.036 -6.492 1.00 0.00 O ATOM 943 CB LEU A 63 6.858 -2.171 -6.731 1.00 0.00 C ATOM 944 CG LEU A 63 5.353 -2.258 -6.472 1.00 0.00 C ATOM 945 CD1 LEU A 63 5.051 -3.328 -5.435 1.00 0.00 C ATOM 946 CD2 LEU A 63 4.811 -0.908 -6.023 1.00 0.00 C ATOM 0 H LEU A 63 7.812 0.186 -6.823 1.00 0.00 H new ATOM 0 HA LEU A 63 7.200 -1.690 -4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.016 -1.607 -7.650 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.235 -3.179 -6.906 1.00 0.00 H new ATOM 0 HG LEU A 63 4.858 -2.534 -7.403 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.976 -3.375 -5.264 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.404 -4.294 -5.796 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.557 -3.083 -4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.739 -0.988 -5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.311 -0.602 -5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.994 -0.166 -6.800 1.00 0.00 H new ATOM 958 N LEU A 64 9.340 -2.899 -4.484 1.00 0.00 N ATOM 959 CA LEU A 64 10.621 -3.575 -4.311 1.00 0.00 C ATOM 960 C LEU A 64 10.581 -4.979 -4.906 1.00 0.00 C ATOM 961 O LEU A 64 9.519 -5.596 -4.995 1.00 0.00 O ATOM 962 CB LEU A 64 10.985 -3.648 -2.827 1.00 0.00 C ATOM 963 CG LEU A 64 11.009 -2.317 -2.076 1.00 0.00 C ATOM 964 CD1 LEU A 64 10.951 -2.550 -0.574 1.00 0.00 C ATOM 965 CD2 LEU A 64 12.251 -1.519 -2.445 1.00 0.00 C ATOM 0 H LEU A 64 8.687 -3.028 -3.711 1.00 0.00 H new ATOM 0 HA LEU A 64 11.382 -2.999 -4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.274 -4.309 -2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.968 -4.111 -2.737 1.00 0.00 H new ATOM 0 HG LEU A 64 10.131 -1.741 -2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.969 -1.591 -0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.032 -3.081 -0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.810 -3.146 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 64 12.251 -0.574 -1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.142 -2.090 -2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.251 -1.320 -3.517 1.00 0.00 H new ATOM 977 N SER A 65 11.744 -5.479 -5.310 1.00 0.00 N ATOM 978 CA SER A 65 11.842 -6.810 -5.898 1.00 0.00 C ATOM 979 C SER A 65 12.020 -7.870 -4.816 1.00 0.00 C ATOM 980 O SER A 65 12.995 -7.851 -4.066 1.00 0.00 O ATOM 981 CB SER A 65 13.011 -6.870 -6.884 1.00 0.00 C ATOM 982 OG SER A 65 14.213 -6.430 -6.277 1.00 0.00 O ATOM 0 H SER A 65 12.632 -4.982 -5.241 1.00 0.00 H new ATOM 0 HA SER A 65 10.914 -7.014 -6.432 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.135 -7.891 -7.245 1.00 0.00 H new ATOM 0 HB3 SER A 65 12.790 -6.250 -7.753 1.00 0.00 H new ATOM 0 HG SER A 65 14.240 -6.735 -5.346 1.00 0.00 H new ATOM 988 N GLY A 66 11.068 -8.796 -4.741 1.00 0.00 N ATOM 989 CA GLY A 66 11.137 -9.852 -3.748 1.00 0.00 C ATOM 990 C GLY A 66 11.748 -11.125 -4.297 1.00 0.00 C ATOM 991 O GLY A 66 12.964 -11.317 -4.272 1.00 0.00 O ATOM 0 H GLY A 66 10.251 -8.833 -5.350 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.725 -9.508 -2.897 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.134 -10.064 -3.378 1.00 0.00 H new ATOM 995 N PRO A 67 10.893 -12.025 -4.807 1.00 0.00 N ATOM 996 CA PRO A 67 11.334 -13.303 -5.373 1.00 0.00 C ATOM 997 C PRO A 67 12.085 -13.126 -6.688 1.00 0.00 C ATOM 998 O PRO A 67 11.477 -12.946 -7.743 1.00 0.00 O ATOM 999 CB PRO A 67 10.023 -14.059 -5.604 1.00 0.00 C ATOM 1000 CG PRO A 67 8.993 -12.994 -5.759 1.00 0.00 C ATOM 1001 CD PRO A 67 9.431 -11.862 -4.870 1.00 0.00 C ATOM 0 HA PRO A 67 12.031 -13.822 -4.715 1.00 0.00 H new ATOM 0 HB2 PRO A 67 10.080 -14.687 -6.493 1.00 0.00 H new ATOM 0 HB3 PRO A 67 9.791 -14.715 -4.765 1.00 0.00 H new ATOM 0 HG2 PRO A 67 8.920 -12.669 -6.797 1.00 0.00 H new ATOM 0 HG3 PRO A 67 8.008 -13.359 -5.469 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.152 -10.894 -5.285 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.976 -11.928 -3.882 1.00 0.00 H new ATOM 1009 N SER A 68 13.412 -13.179 -6.618 1.00 0.00 N ATOM 1010 CA SER A 68 14.247 -13.021 -7.803 1.00 0.00 C ATOM 1011 C SER A 68 15.342 -14.082 -7.842 1.00 0.00 C ATOM 1012 O SER A 68 16.260 -14.072 -7.022 1.00 0.00 O ATOM 1013 CB SER A 68 14.872 -11.625 -7.830 1.00 0.00 C ATOM 1014 OG SER A 68 15.218 -11.246 -9.151 1.00 0.00 O ATOM 0 H SER A 68 13.931 -13.330 -5.753 1.00 0.00 H new ATOM 0 HA SER A 68 13.614 -13.145 -8.682 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.172 -10.902 -7.413 1.00 0.00 H new ATOM 0 HB3 SER A 68 15.761 -11.609 -7.199 1.00 0.00 H new ATOM 0 HG SER A 68 15.614 -10.350 -9.141 1.00 0.00 H new ATOM 1020 N SER A 69 15.237 -14.998 -8.800 1.00 0.00 N ATOM 1021 CA SER A 69 16.215 -16.069 -8.944 1.00 0.00 C ATOM 1022 C SER A 69 17.637 -15.523 -8.851 1.00 0.00 C ATOM 1023 O SER A 69 18.425 -15.952 -8.010 1.00 0.00 O ATOM 1024 CB SER A 69 16.020 -16.791 -10.279 1.00 0.00 C ATOM 1025 OG SER A 69 14.957 -17.725 -10.203 1.00 0.00 O ATOM 0 H SER A 69 14.484 -15.019 -9.488 1.00 0.00 H new ATOM 0 HA SER A 69 16.063 -16.778 -8.130 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.813 -16.063 -11.063 1.00 0.00 H new ATOM 0 HB3 SER A 69 16.941 -17.305 -10.556 1.00 0.00 H new ATOM 0 HG SER A 69 14.852 -18.172 -11.069 1.00 0.00 H new ATOM 1031 N GLY A 70 17.957 -14.572 -9.724 1.00 0.00 N ATOM 1032 CA GLY A 70 19.282 -13.981 -9.725 1.00 0.00 C ATOM 1033 C GLY A 70 20.365 -14.988 -10.062 1.00 0.00 C ATOM 1034 O GLY A 70 20.077 -16.073 -10.567 1.00 0.00 O ATOM 0 H GLY A 70 17.322 -14.201 -10.430 1.00 0.00 H new ATOM 0 HA2 GLY A 70 19.312 -13.164 -10.446 1.00 0.00 H new ATOM 0 HA3 GLY A 70 19.484 -13.548 -8.745 1.00 0.00 H new TER 1038 GLY A 70