USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 472 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 Set 1.1: A 39 ASN : amide:sc= 1.2 K(o=2,f=-7!) USER MOD Set 1.2: A 42 THR OG1 : rot -160:sc= 0.802 USER MOD Single : A 2 GLN : amide:sc= -0.773 K(o=-0.77,f=-0.056) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot -113:sc= 1.07 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0258 USER MOD Single : A 13 ASN : amide:sc= -1.17 K(o=-1.2,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0677 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0.00437 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -1.6 X(o=-1.6,f=-1.4) USER MOD Single : A 32 SER OG : rot 86:sc= 1.14 USER MOD Single : A 34 MET CE :methyl -170:sc= -0.0122 (180deg=-0.172) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -130:sc= -0.299 USER MOD Single : A 45 MET CE :methyl -171:sc=-0.00498 (180deg=-0.132) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.0506 X(o=-0.051,f=-0.051) USER MOD Single : A 53 ASN : amide:sc= -0.978 K(o=-0.98,f=-0.015) USER MOD Single : A 55 LYS NZ :NH3+ -133:sc= 1.21 (180deg=0.711) USER MOD Single : A 59 ASN : amide:sc= -0.0501 X(o=-0.05,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 1.638 -14.496 3.041 1.00 0.00 N ATOM 2 CA PRO A 1 1.066 -14.793 4.325 1.00 0.00 C ATOM 3 C PRO A 1 -0.081 -13.838 4.550 1.00 0.00 C ATOM 4 O PRO A 1 -0.147 -12.810 3.863 1.00 0.00 O ATOM 5 CB PRO A 1 2.146 -14.598 5.376 1.00 0.00 C ATOM 6 CG PRO A 1 3.420 -14.490 4.587 1.00 0.00 C ATOM 7 CD PRO A 1 3.073 -14.699 3.113 1.00 0.00 C ATOM 0 H2 PRO A 1 1.430 -13.533 2.775 1.00 0.00 H new ATOM 0 H3 PRO A 1 1.231 -15.098 2.325 1.00 0.00 H new ATOM 0 HA PRO A 1 0.697 -15.817 4.381 1.00 0.00 H new ATOM 0 HB2 PRO A 1 1.967 -13.700 5.967 1.00 0.00 H new ATOM 0 HB3 PRO A 1 2.179 -15.436 6.072 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.881 -13.514 4.737 1.00 0.00 H new ATOM 0 HG3 PRO A 1 4.141 -15.237 4.920 1.00 0.00 H new ATOM 0 HD2 PRO A 1 3.606 -13.992 2.477 1.00 0.00 H new ATOM 0 HD3 PRO A 1 3.349 -15.699 2.779 1.00 0.00 H new ATOM 17 N GLN A 2 -1.003 -14.185 5.449 1.00 0.00 N ATOM 18 CA GLN A 2 -2.132 -13.331 5.789 1.00 0.00 C ATOM 19 C GLN A 2 -2.846 -13.814 7.037 1.00 0.00 C ATOM 20 O GLN A 2 -3.041 -15.012 7.219 1.00 0.00 O ATOM 21 CB GLN A 2 -3.120 -13.108 4.586 1.00 0.00 C ATOM 22 CG GLN A 2 -3.671 -14.371 3.878 1.00 0.00 C ATOM 23 CD GLN A 2 -4.738 -15.155 4.642 1.00 0.00 C ATOM 24 OE1 GLN A 2 -4.833 -16.377 4.507 1.00 0.00 O ATOM 25 NE2 GLN A 2 -5.581 -14.477 5.382 1.00 0.00 N ATOM 0 H GLN A 2 -0.984 -15.068 5.960 1.00 0.00 H new ATOM 0 HA GLN A 2 -1.716 -12.349 6.015 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -3.968 -12.527 4.949 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.611 -12.498 3.840 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.087 -14.072 2.916 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.836 -15.040 3.670 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -5.479 -13.467 5.476 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -6.339 -14.960 5.864 1.00 0.00 H new ATOM 34 N PHE A 3 -3.174 -12.864 7.897 1.00 0.00 N ATOM 35 CA PHE A 3 -3.953 -13.063 9.121 1.00 0.00 C ATOM 36 C PHE A 3 -4.545 -11.748 9.543 1.00 0.00 C ATOM 37 O PHE A 3 -3.849 -10.720 9.557 1.00 0.00 O ATOM 38 CB PHE A 3 -3.154 -13.648 10.322 1.00 0.00 C ATOM 39 CG PHE A 3 -2.906 -15.124 10.269 1.00 0.00 C ATOM 40 CD1 PHE A 3 -3.960 -16.015 10.401 1.00 0.00 C ATOM 41 CD2 PHE A 3 -1.634 -15.623 10.089 1.00 0.00 C ATOM 42 CE1 PHE A 3 -3.745 -17.374 10.354 1.00 0.00 C ATOM 43 CE2 PHE A 3 -1.409 -16.980 10.043 1.00 0.00 C ATOM 44 CZ PHE A 3 -2.467 -17.857 10.174 1.00 0.00 C ATOM 0 H PHE A 3 -2.897 -11.892 7.761 1.00 0.00 H new ATOM 0 HA PHE A 3 -4.712 -13.803 8.869 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -2.193 -13.137 10.381 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -3.693 -13.420 11.241 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -4.962 -15.638 10.542 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -0.804 -14.941 9.983 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -4.574 -18.058 10.458 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -0.407 -17.358 9.905 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.293 -18.922 10.135 1.00 0.00 H new ATOM 54 N GLY A 4 -5.801 -11.773 9.840 1.00 0.00 N ATOM 55 CA GLY A 4 -6.490 -10.625 10.343 1.00 0.00 C ATOM 56 C GLY A 4 -7.143 -10.981 11.645 1.00 0.00 C ATOM 57 O GLY A 4 -8.364 -10.947 11.781 1.00 0.00 O ATOM 0 H GLY A 4 -6.389 -12.601 9.740 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.793 -9.799 10.485 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.239 -10.290 9.625 1.00 0.00 H new ATOM 61 N LEU A 5 -6.331 -11.365 12.587 1.00 0.00 N ATOM 62 CA LEU A 5 -6.791 -11.807 13.869 1.00 0.00 C ATOM 63 C LEU A 5 -6.946 -10.606 14.824 1.00 0.00 C ATOM 64 O LEU A 5 -7.783 -10.609 15.725 1.00 0.00 O ATOM 65 CB LEU A 5 -5.813 -12.886 14.411 1.00 0.00 C ATOM 66 CG LEU A 5 -5.999 -13.266 15.850 1.00 0.00 C ATOM 67 CD1 LEU A 5 -7.365 -13.909 16.090 1.00 0.00 C ATOM 68 CD2 LEU A 5 -4.880 -14.164 16.314 1.00 0.00 C ATOM 0 H LEU A 5 -5.316 -11.380 12.483 1.00 0.00 H new ATOM 0 HA LEU A 5 -7.777 -12.263 13.785 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.916 -13.783 13.801 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.793 -12.526 14.278 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.966 -12.352 16.443 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.464 -14.171 17.143 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -8.151 -13.206 15.816 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.455 -14.809 15.482 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.035 -14.427 17.360 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.867 -15.071 15.710 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.928 -13.644 16.208 1.00 0.00 H new ATOM 80 N PHE A 6 -6.142 -9.609 14.611 1.00 0.00 N ATOM 81 CA PHE A 6 -6.223 -8.370 15.337 1.00 0.00 C ATOM 82 C PHE A 6 -6.572 -7.290 14.331 1.00 0.00 C ATOM 83 O PHE A 6 -6.588 -7.557 13.118 1.00 0.00 O ATOM 84 CB PHE A 6 -4.880 -8.034 16.008 1.00 0.00 C ATOM 85 CG PHE A 6 -4.412 -9.033 17.029 1.00 0.00 C ATOM 86 CD1 PHE A 6 -4.840 -8.949 18.340 1.00 0.00 C ATOM 87 CD2 PHE A 6 -3.535 -10.048 16.679 1.00 0.00 C ATOM 88 CE1 PHE A 6 -4.409 -9.854 19.281 1.00 0.00 C ATOM 89 CE2 PHE A 6 -3.099 -10.957 17.620 1.00 0.00 C ATOM 90 CZ PHE A 6 -3.537 -10.859 18.923 1.00 0.00 C ATOM 0 H PHE A 6 -5.396 -9.630 13.916 1.00 0.00 H new ATOM 0 HA PHE A 6 -6.974 -8.444 16.123 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.117 -7.943 15.235 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.965 -7.059 16.488 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -5.522 -8.163 18.629 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -3.190 -10.128 15.659 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -4.754 -9.777 20.301 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -2.416 -11.744 17.336 1.00 0.00 H new ATOM 0 HZ PHE A 6 -3.197 -11.569 19.663 1.00 0.00 H new ATOM 100 N SER A 7 -6.803 -6.083 14.788 1.00 0.00 N ATOM 101 CA SER A 7 -7.120 -4.987 13.894 1.00 0.00 C ATOM 102 C SER A 7 -5.829 -4.362 13.341 1.00 0.00 C ATOM 103 O SER A 7 -5.543 -3.175 13.496 1.00 0.00 O ATOM 104 CB SER A 7 -8.002 -3.970 14.608 1.00 0.00 C ATOM 105 OG SER A 7 -9.141 -4.635 15.164 1.00 0.00 O ATOM 0 H SER A 7 -6.778 -5.831 15.776 1.00 0.00 H new ATOM 0 HA SER A 7 -7.685 -5.361 13.040 1.00 0.00 H new ATOM 0 HB2 SER A 7 -7.437 -3.472 15.396 1.00 0.00 H new ATOM 0 HB3 SER A 7 -8.323 -3.197 13.910 1.00 0.00 H new ATOM 0 HG SER A 7 -9.708 -3.982 15.625 1.00 0.00 H new ATOM 111 N LYS A 8 -5.052 -5.204 12.741 1.00 0.00 N ATOM 112 CA LYS A 8 -3.829 -4.863 12.095 1.00 0.00 C ATOM 113 C LYS A 8 -3.609 -5.884 11.016 1.00 0.00 C ATOM 114 O LYS A 8 -4.041 -7.048 11.158 1.00 0.00 O ATOM 115 CB LYS A 8 -2.648 -4.793 13.084 1.00 0.00 C ATOM 116 CG LYS A 8 -2.426 -6.043 13.922 1.00 0.00 C ATOM 117 CD LYS A 8 -1.302 -5.825 14.917 1.00 0.00 C ATOM 118 CE LYS A 8 -1.133 -7.010 15.851 1.00 0.00 C ATOM 119 NZ LYS A 8 -0.111 -6.748 16.879 1.00 0.00 N ATOM 0 H LYS A 8 -5.266 -6.200 12.686 1.00 0.00 H new ATOM 0 HA LYS A 8 -3.891 -3.863 11.665 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.737 -4.586 12.522 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.807 -3.949 13.755 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.343 -6.300 14.452 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.186 -6.885 13.273 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.370 -5.651 14.379 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.504 -4.928 15.502 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.085 -7.234 16.332 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.853 -7.891 15.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.022 -7.578 17.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.803 -6.559 16.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.392 -5.922 17.445 1.00 0.00 H new ATOM 133 N TYR A 9 -3.016 -5.479 9.951 1.00 0.00 N ATOM 134 CA TYR A 9 -2.849 -6.302 8.828 1.00 0.00 C ATOM 135 C TYR A 9 -1.452 -6.014 8.267 1.00 0.00 C ATOM 136 O TYR A 9 -0.603 -5.473 8.975 1.00 0.00 O ATOM 137 CB TYR A 9 -3.946 -5.903 7.835 1.00 0.00 C ATOM 138 CG TYR A 9 -4.282 -6.936 6.814 1.00 0.00 C ATOM 139 CD1 TYR A 9 -3.608 -8.136 6.779 1.00 0.00 C ATOM 140 CD2 TYR A 9 -5.291 -6.715 5.915 1.00 0.00 C ATOM 141 CE1 TYR A 9 -3.917 -9.099 5.876 1.00 0.00 C ATOM 142 CE2 TYR A 9 -5.624 -7.676 4.983 1.00 0.00 C ATOM 143 CZ TYR A 9 -4.930 -8.875 4.968 1.00 0.00 C ATOM 144 OH TYR A 9 -5.245 -9.850 4.040 1.00 0.00 O ATOM 0 H TYR A 9 -2.627 -4.542 9.843 1.00 0.00 H new ATOM 0 HA TYR A 9 -2.928 -7.367 9.047 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.850 -5.660 8.394 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.635 -4.994 7.320 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.813 -8.315 7.488 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.831 -5.780 5.936 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.375 -10.033 5.868 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.417 -7.496 4.273 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.025 -9.529 3.141 1.00 0.00 H new ATOM 154 N ARG A 10 -1.216 -6.354 7.032 1.00 0.00 N ATOM 155 CA ARG A 10 0.051 -6.137 6.451 1.00 0.00 C ATOM 156 C ARG A 10 0.053 -4.791 5.747 1.00 0.00 C ATOM 157 O ARG A 10 -0.567 -4.596 4.679 1.00 0.00 O ATOM 158 CB ARG A 10 0.520 -7.279 5.507 1.00 0.00 C ATOM 159 CG ARG A 10 -0.296 -7.476 4.229 1.00 0.00 C ATOM 160 CD ARG A 10 0.502 -8.214 3.157 1.00 0.00 C ATOM 161 NE ARG A 10 1.871 -7.641 2.908 1.00 0.00 N ATOM 162 CZ ARG A 10 2.225 -6.340 2.636 1.00 0.00 C ATOM 163 NH1 ARG A 10 1.340 -5.342 2.695 1.00 0.00 N ATOM 164 NH2 ARG A 10 3.486 -6.054 2.350 1.00 0.00 N ATOM 0 H ARG A 10 -1.902 -6.787 6.413 1.00 0.00 H new ATOM 0 HA ARG A 10 0.781 -6.134 7.260 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.556 -7.088 5.226 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.509 -8.214 6.068 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.202 -8.037 4.459 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.610 -6.506 3.845 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.605 -9.259 3.450 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.062 -8.199 2.224 1.00 0.00 H new ATOM 0 HE ARG A 10 2.641 -8.308 2.946 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.371 -5.534 2.947 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.633 -4.387 2.488 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.186 -6.796 2.333 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.757 -5.092 2.147 1.00 0.00 H new ATOM 178 N THR A 11 0.657 -3.862 6.360 1.00 0.00 N ATOM 179 CA THR A 11 0.760 -2.559 5.815 1.00 0.00 C ATOM 180 C THR A 11 1.962 -2.459 4.875 1.00 0.00 C ATOM 181 O THR A 11 3.034 -3.018 5.153 1.00 0.00 O ATOM 182 CB THR A 11 0.807 -1.503 6.934 1.00 0.00 C ATOM 183 OG1 THR A 11 1.764 -1.905 7.935 1.00 0.00 O ATOM 184 CG2 THR A 11 -0.554 -1.336 7.587 1.00 0.00 C ATOM 0 H THR A 11 1.105 -3.976 7.269 1.00 0.00 H new ATOM 0 HA THR A 11 -0.131 -2.357 5.220 1.00 0.00 H new ATOM 0 HB THR A 11 1.100 -0.551 6.492 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.795 -1.232 8.647 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.490 -0.584 8.373 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.280 -1.018 6.839 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.870 -2.286 8.018 1.00 0.00 H new ATOM 192 N PRO A 12 1.779 -1.817 3.722 1.00 0.00 N ATOM 193 CA PRO A 12 2.835 -1.663 2.742 1.00 0.00 C ATOM 194 C PRO A 12 3.829 -0.580 3.134 1.00 0.00 C ATOM 195 O PRO A 12 3.454 0.464 3.673 1.00 0.00 O ATOM 196 CB PRO A 12 2.079 -1.247 1.484 1.00 0.00 C ATOM 197 CG PRO A 12 0.912 -0.489 2.004 1.00 0.00 C ATOM 198 CD PRO A 12 0.522 -1.168 3.282 1.00 0.00 C ATOM 0 HA PRO A 12 3.426 -2.572 2.629 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.697 -0.631 0.832 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.766 -2.113 0.901 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.170 0.555 2.179 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.089 -0.498 1.289 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.158 -0.455 4.021 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.273 -1.897 3.124 1.00 0.00 H new ATOM 206 N ASN A 13 5.080 -0.836 2.894 1.00 0.00 N ATOM 207 CA ASN A 13 6.100 0.161 3.137 1.00 0.00 C ATOM 208 C ASN A 13 6.364 0.831 1.818 1.00 0.00 C ATOM 209 O ASN A 13 6.849 0.194 0.877 1.00 0.00 O ATOM 210 CB ASN A 13 7.420 -0.446 3.691 1.00 0.00 C ATOM 211 CG ASN A 13 7.335 -1.160 5.084 1.00 0.00 C ATOM 212 OD1 ASN A 13 8.318 -1.140 5.839 1.00 0.00 O ATOM 213 ND2 ASN A 13 6.211 -1.813 5.441 1.00 0.00 N ATOM 0 H ASN A 13 5.427 -1.724 2.530 1.00 0.00 H new ATOM 0 HA ASN A 13 5.748 0.859 3.896 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.796 -1.164 2.963 1.00 0.00 H new ATOM 0 HB3 ASN A 13 8.158 0.353 3.762 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.165 -2.296 6.338 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.407 -1.824 4.814 1.00 0.00 H new ATOM 220 N CYS A 14 6.028 2.093 1.713 1.00 0.00 N ATOM 221 CA CYS A 14 6.148 2.805 0.470 1.00 0.00 C ATOM 222 C CYS A 14 7.571 3.271 0.149 1.00 0.00 C ATOM 223 O CYS A 14 7.773 4.120 -0.718 1.00 0.00 O ATOM 224 CB CYS A 14 5.144 3.940 0.420 1.00 0.00 C ATOM 225 SG CYS A 14 5.218 5.164 1.782 1.00 0.00 S ATOM 0 H CYS A 14 5.665 2.652 2.485 1.00 0.00 H new ATOM 0 HA CYS A 14 5.914 2.094 -0.323 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.277 4.471 -0.522 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.143 3.509 0.404 1.00 0.00 H new ATOM 230 N SER A 15 8.544 2.654 0.776 1.00 0.00 N ATOM 231 CA SER A 15 9.932 2.930 0.527 1.00 0.00 C ATOM 232 C SER A 15 10.439 2.097 -0.663 1.00 0.00 C ATOM 233 O SER A 15 11.605 2.147 -1.030 1.00 0.00 O ATOM 234 CB SER A 15 10.701 2.612 1.790 1.00 0.00 C ATOM 235 OG SER A 15 10.213 1.396 2.354 1.00 0.00 O ATOM 0 H SER A 15 8.388 1.936 1.483 1.00 0.00 H new ATOM 0 HA SER A 15 10.074 3.979 0.266 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.764 2.520 1.567 1.00 0.00 H new ATOM 0 HB3 SER A 15 10.595 3.426 2.507 1.00 0.00 H new ATOM 0 HG SER A 15 10.713 1.190 3.171 1.00 0.00 H new ATOM 241 N GLN A 16 9.528 1.348 -1.276 1.00 0.00 N ATOM 242 CA GLN A 16 9.831 0.493 -2.434 1.00 0.00 C ATOM 243 C GLN A 16 9.552 1.237 -3.725 1.00 0.00 C ATOM 244 O GLN A 16 9.265 0.649 -4.781 1.00 0.00 O ATOM 245 CB GLN A 16 9.020 -0.791 -2.377 1.00 0.00 C ATOM 246 CG GLN A 16 7.462 -0.525 -2.340 1.00 0.00 C ATOM 247 CD GLN A 16 6.617 -1.803 -2.461 1.00 0.00 C ATOM 248 OE1 GLN A 16 6.287 -2.216 -3.575 1.00 0.00 O ATOM 249 NE2 GLN A 16 6.222 -2.416 -1.350 1.00 0.00 N ATOM 0 H GLN A 16 8.551 1.312 -0.987 1.00 0.00 H new ATOM 0 HA GLN A 16 10.889 0.233 -2.403 1.00 0.00 H new ATOM 0 HB2 GLN A 16 9.259 -1.406 -3.244 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.309 -1.360 -1.493 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.210 -0.020 -1.408 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.198 0.153 -3.151 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.508 -2.056 -0.440 1.00 0.00 H new ATOM 0 HE22 GLN A 16 5.633 -3.247 -1.408 1.00 0.00 H new ATOM 258 N TYR A 17 9.676 2.497 -3.617 1.00 0.00 N ATOM 259 CA TYR A 17 9.455 3.432 -4.688 1.00 0.00 C ATOM 260 C TYR A 17 10.617 4.382 -4.714 1.00 0.00 C ATOM 261 O TYR A 17 10.990 4.921 -3.666 1.00 0.00 O ATOM 262 CB TYR A 17 8.144 4.198 -4.470 1.00 0.00 C ATOM 263 CG TYR A 17 6.970 3.281 -4.538 1.00 0.00 C ATOM 264 CD1 TYR A 17 6.749 2.553 -5.682 1.00 0.00 C ATOM 265 CD2 TYR A 17 6.106 3.114 -3.467 1.00 0.00 C ATOM 266 CE1 TYR A 17 5.720 1.684 -5.780 1.00 0.00 C ATOM 267 CE2 TYR A 17 5.049 2.235 -3.552 1.00 0.00 C ATOM 268 CZ TYR A 17 4.861 1.515 -4.714 1.00 0.00 C ATOM 269 OH TYR A 17 3.798 0.647 -4.814 1.00 0.00 O ATOM 0 H TYR A 17 9.947 2.948 -2.743 1.00 0.00 H new ATOM 0 HA TYR A 17 9.375 2.904 -5.639 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.166 4.695 -3.500 1.00 0.00 H new ATOM 0 HB3 TYR A 17 8.045 4.978 -5.225 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.414 2.679 -6.523 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.263 3.677 -2.559 1.00 0.00 H new ATOM 0 HE1 TYR A 17 5.570 1.123 -6.691 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.374 2.111 -2.718 1.00 0.00 H new ATOM 0 HH TYR A 17 3.295 0.647 -3.973 1.00 0.00 H new ATOM 279 N ARG A 18 11.229 4.559 -5.855 1.00 0.00 N ATOM 280 CA ARG A 18 12.368 5.416 -5.927 1.00 0.00 C ATOM 281 C ARG A 18 12.028 6.748 -6.579 1.00 0.00 C ATOM 282 O ARG A 18 12.677 7.774 -6.293 1.00 0.00 O ATOM 283 CB ARG A 18 13.516 4.750 -6.658 1.00 0.00 C ATOM 284 CG ARG A 18 14.838 5.470 -6.461 1.00 0.00 C ATOM 285 CD ARG A 18 15.465 5.199 -5.079 1.00 0.00 C ATOM 286 NE ARG A 18 14.675 5.725 -3.938 1.00 0.00 N ATOM 287 CZ ARG A 18 14.834 5.348 -2.662 1.00 0.00 C ATOM 288 NH1 ARG A 18 15.825 4.530 -2.325 1.00 0.00 N ATOM 289 NH2 ARG A 18 14.015 5.818 -1.726 1.00 0.00 N ATOM 0 H ARG A 18 10.957 4.123 -6.736 1.00 0.00 H new ATOM 0 HA ARG A 18 12.682 5.612 -4.902 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.613 3.721 -6.311 1.00 0.00 H new ATOM 0 HB3 ARG A 18 13.286 4.707 -7.723 1.00 0.00 H new ATOM 0 HG2 ARG A 18 15.535 5.159 -7.239 1.00 0.00 H new ATOM 0 HG3 ARG A 18 14.684 6.542 -6.581 1.00 0.00 H new ATOM 0 HD2 ARG A 18 15.590 4.123 -4.954 1.00 0.00 H new ATOM 0 HD3 ARG A 18 16.461 5.641 -5.051 1.00 0.00 H new ATOM 0 HE ARG A 18 13.960 6.424 -4.140 1.00 0.00 H new ATOM 0 HH11 ARG A 18 16.468 4.187 -3.039 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.943 4.245 -1.353 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.268 6.464 -1.980 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.134 5.532 -0.754 1.00 0.00 H new ATOM 303 N LEU A 19 11.032 6.753 -7.435 1.00 0.00 N ATOM 304 CA LEU A 19 10.633 7.982 -8.102 1.00 0.00 C ATOM 305 C LEU A 19 10.026 8.959 -7.139 1.00 0.00 C ATOM 306 O LEU A 19 9.245 8.579 -6.275 1.00 0.00 O ATOM 307 CB LEU A 19 9.698 7.753 -9.323 1.00 0.00 C ATOM 308 CG LEU A 19 10.413 7.381 -10.633 1.00 0.00 C ATOM 309 CD1 LEU A 19 11.113 6.031 -10.551 1.00 0.00 C ATOM 310 CD2 LEU A 19 9.476 7.426 -11.816 1.00 0.00 C ATOM 0 H LEU A 19 10.484 5.930 -7.688 1.00 0.00 H new ATOM 0 HA LEU A 19 11.553 8.411 -8.499 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.991 6.961 -9.076 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.116 8.659 -9.490 1.00 0.00 H new ATOM 0 HG LEU A 19 11.183 8.138 -10.783 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.602 5.816 -11.501 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.859 6.056 -9.757 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.380 5.253 -10.336 1.00 0.00 H new ATOM 0 HD21 LEU A 19 10.020 7.157 -12.721 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.659 6.721 -11.660 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.071 8.433 -11.922 1.00 0.00 H new ATOM 322 N PRO A 20 10.426 10.242 -7.237 1.00 0.00 N ATOM 323 CA PRO A 20 9.843 11.303 -6.425 1.00 0.00 C ATOM 324 C PRO A 20 8.441 11.631 -6.924 1.00 0.00 C ATOM 325 O PRO A 20 7.682 12.364 -6.278 1.00 0.00 O ATOM 326 CB PRO A 20 10.787 12.491 -6.646 1.00 0.00 C ATOM 327 CG PRO A 20 11.396 12.244 -7.983 1.00 0.00 C ATOM 328 CD PRO A 20 11.501 10.749 -8.125 1.00 0.00 C ATOM 0 HA PRO A 20 9.745 11.035 -5.373 1.00 0.00 H new ATOM 0 HB2 PRO A 20 10.245 13.437 -6.626 1.00 0.00 H new ATOM 0 HB3 PRO A 20 11.548 12.543 -5.867 1.00 0.00 H new ATOM 0 HG2 PRO A 20 10.780 12.668 -8.776 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.378 12.712 -8.057 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.352 10.432 -9.157 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.481 10.384 -7.818 1.00 0.00 H new ATOM 336 N GLY A 21 8.126 11.089 -8.081 1.00 0.00 N ATOM 337 CA GLY A 21 6.846 11.223 -8.662 1.00 0.00 C ATOM 338 C GLY A 21 6.249 9.862 -8.908 1.00 0.00 C ATOM 339 O GLY A 21 6.612 8.891 -8.249 1.00 0.00 O ATOM 0 H GLY A 21 8.778 10.537 -8.639 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.197 11.801 -8.004 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.919 11.773 -9.600 1.00 0.00 H new ATOM 343 N CYS A 22 5.422 9.771 -9.895 1.00 0.00 N ATOM 344 CA CYS A 22 4.689 8.561 -10.204 1.00 0.00 C ATOM 345 C CYS A 22 4.367 8.545 -11.689 1.00 0.00 C ATOM 346 O CYS A 22 3.622 9.409 -12.178 1.00 0.00 O ATOM 347 CB CYS A 22 3.362 8.485 -9.401 1.00 0.00 C ATOM 348 SG CYS A 22 3.546 8.462 -7.588 1.00 0.00 S ATOM 0 H CYS A 22 5.224 10.544 -10.530 1.00 0.00 H new ATOM 0 HA CYS A 22 5.307 7.705 -9.932 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.742 9.338 -9.675 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.823 7.588 -9.706 1.00 0.00 H new ATOM 353 N PRO A 23 4.953 7.619 -12.432 1.00 0.00 N ATOM 354 CA PRO A 23 4.688 7.456 -13.844 1.00 0.00 C ATOM 355 C PRO A 23 3.615 6.389 -14.073 1.00 0.00 C ATOM 356 O PRO A 23 3.339 5.573 -13.175 1.00 0.00 O ATOM 357 CB PRO A 23 6.030 6.959 -14.345 1.00 0.00 C ATOM 358 CG PRO A 23 6.463 6.026 -13.271 1.00 0.00 C ATOM 359 CD PRO A 23 5.971 6.642 -11.971 1.00 0.00 C ATOM 0 HA PRO A 23 4.325 8.359 -14.335 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.940 6.454 -15.307 1.00 0.00 H new ATOM 0 HB3 PRO A 23 6.739 7.776 -14.480 1.00 0.00 H new ATOM 0 HG2 PRO A 23 6.038 5.033 -13.420 1.00 0.00 H new ATOM 0 HG3 PRO A 23 7.547 5.911 -13.265 1.00 0.00 H new ATOM 0 HD2 PRO A 23 5.540 5.893 -11.306 1.00 0.00 H new ATOM 0 HD3 PRO A 23 6.778 7.128 -11.423 1.00 0.00 H new ATOM 367 N ARG A 24 2.988 6.430 -15.240 1.00 0.00 N ATOM 368 CA ARG A 24 2.010 5.487 -15.664 1.00 0.00 C ATOM 369 C ARG A 24 0.821 5.473 -14.719 1.00 0.00 C ATOM 370 O ARG A 24 0.634 6.356 -13.868 1.00 0.00 O ATOM 371 CB ARG A 24 2.636 4.064 -15.788 1.00 0.00 C ATOM 372 CG ARG A 24 3.827 3.948 -16.744 1.00 0.00 C ATOM 373 CD ARG A 24 3.458 4.292 -18.178 1.00 0.00 C ATOM 374 NE ARG A 24 2.451 3.384 -18.743 1.00 0.00 N ATOM 375 CZ ARG A 24 1.848 3.558 -19.929 1.00 0.00 C ATOM 376 NH1 ARG A 24 2.109 4.643 -20.659 1.00 0.00 N ATOM 377 NH2 ARG A 24 0.975 2.659 -20.380 1.00 0.00 N ATOM 0 H ARG A 24 3.167 7.158 -15.932 1.00 0.00 H new ATOM 0 HA ARG A 24 1.652 5.790 -16.648 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.955 3.739 -14.798 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.860 3.372 -16.116 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.624 4.611 -16.408 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.221 2.932 -16.707 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.080 5.314 -18.215 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.355 4.261 -18.796 1.00 0.00 H new ATOM 0 HE ARG A 24 2.192 2.563 -18.195 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.768 5.342 -20.316 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.650 4.774 -21.560 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.761 1.832 -19.823 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.520 2.798 -21.282 1.00 0.00 H new ATOM 391 N HIS A 25 0.024 4.540 -14.933 1.00 0.00 N ATOM 392 CA HIS A 25 -1.096 4.232 -14.084 1.00 0.00 C ATOM 393 C HIS A 25 -1.123 2.728 -13.890 1.00 0.00 C ATOM 394 O HIS A 25 -1.521 1.989 -14.783 1.00 0.00 O ATOM 395 CB HIS A 25 -2.418 4.746 -14.685 1.00 0.00 C ATOM 396 CG HIS A 25 -3.645 4.500 -13.833 1.00 0.00 C ATOM 397 ND1 HIS A 25 -4.157 5.429 -12.961 1.00 0.00 N ATOM 398 CD2 HIS A 25 -4.474 3.432 -13.752 1.00 0.00 C ATOM 399 CE1 HIS A 25 -5.234 4.951 -12.382 1.00 0.00 C ATOM 400 NE2 HIS A 25 -5.448 3.745 -12.842 1.00 0.00 N ATOM 0 H HIS A 25 0.106 3.916 -15.736 1.00 0.00 H new ATOM 0 HA HIS A 25 -0.986 4.733 -13.122 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.327 5.817 -14.863 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.567 4.273 -15.656 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.384 2.507 -14.302 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -5.840 5.465 -11.651 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -6.218 3.135 -12.567 1.00 0.00 H new ATOM 409 N PHE A 26 -0.665 2.293 -12.755 1.00 0.00 N ATOM 410 CA PHE A 26 -0.567 0.887 -12.447 1.00 0.00 C ATOM 411 C PHE A 26 -0.909 0.673 -10.994 1.00 0.00 C ATOM 412 O PHE A 26 -0.460 1.437 -10.117 1.00 0.00 O ATOM 413 CB PHE A 26 0.850 0.331 -12.782 1.00 0.00 C ATOM 414 CG PHE A 26 2.011 1.016 -12.068 1.00 0.00 C ATOM 415 CD1 PHE A 26 2.514 2.212 -12.531 1.00 0.00 C ATOM 416 CD2 PHE A 26 2.595 0.450 -10.947 1.00 0.00 C ATOM 417 CE1 PHE A 26 3.571 2.832 -11.893 1.00 0.00 C ATOM 418 CE2 PHE A 26 3.650 1.064 -10.304 1.00 0.00 C ATOM 419 CZ PHE A 26 4.138 2.260 -10.778 1.00 0.00 C ATOM 0 H PHE A 26 -0.344 2.906 -12.005 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.277 0.337 -13.065 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.872 -0.731 -12.537 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.008 0.413 -13.857 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.076 2.671 -13.405 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.218 -0.489 -10.569 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.953 3.769 -12.271 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.092 0.607 -9.431 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.962 2.747 -10.277 1.00 0.00 H new ATOM 429 N ASN A 27 -1.702 -0.334 -10.702 1.00 0.00 N ATOM 430 CA ASN A 27 -2.100 -0.557 -9.347 1.00 0.00 C ATOM 431 C ASN A 27 -1.833 -2.043 -8.945 1.00 0.00 C ATOM 432 O ASN A 27 -2.718 -2.887 -9.046 1.00 0.00 O ATOM 433 CB ASN A 27 -3.652 -0.138 -9.068 1.00 0.00 C ATOM 434 CG ASN A 27 -3.990 1.358 -9.257 1.00 0.00 C ATOM 435 OD1 ASN A 27 -5.134 1.697 -9.553 1.00 0.00 O ATOM 436 ND2 ASN A 27 -3.025 2.243 -9.139 1.00 0.00 N ATOM 0 H ASN A 27 -2.075 -0.998 -11.380 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.493 0.094 -8.719 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.291 -0.722 -9.731 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.907 -0.422 -8.047 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.219 3.232 -9.294 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.083 1.940 -8.893 1.00 0.00 H new ATOM 443 N PRO A 28 -0.566 -2.373 -8.608 1.00 0.00 N ATOM 444 CA PRO A 28 -0.168 -3.681 -8.059 1.00 0.00 C ATOM 445 C PRO A 28 -0.962 -4.210 -6.868 1.00 0.00 C ATOM 446 O PRO A 28 -1.395 -5.353 -6.872 1.00 0.00 O ATOM 447 CB PRO A 28 1.267 -3.464 -7.606 1.00 0.00 C ATOM 448 CG PRO A 28 1.794 -2.402 -8.491 1.00 0.00 C ATOM 449 CD PRO A 28 0.615 -1.581 -8.954 1.00 0.00 C ATOM 0 HA PRO A 28 -0.336 -4.430 -8.832 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.309 -3.162 -6.560 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.852 -4.379 -7.697 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.512 -1.778 -7.958 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.319 -2.836 -9.342 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.595 -0.609 -8.461 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.663 -1.394 -10.027 1.00 0.00 H new ATOM 457 N VAL A 29 -1.195 -3.383 -5.900 1.00 0.00 N ATOM 458 CA VAL A 29 -1.656 -3.861 -4.620 1.00 0.00 C ATOM 459 C VAL A 29 -3.123 -3.629 -4.375 1.00 0.00 C ATOM 460 O VAL A 29 -3.763 -2.784 -4.987 1.00 0.00 O ATOM 461 CB VAL A 29 -0.787 -3.340 -3.449 1.00 0.00 C ATOM 462 CG1 VAL A 29 0.624 -3.934 -3.540 1.00 0.00 C ATOM 463 CG2 VAL A 29 -0.703 -1.820 -3.447 1.00 0.00 C ATOM 0 H VAL A 29 -1.076 -2.372 -5.963 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.533 -4.943 -4.661 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.260 -3.654 -2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.229 -3.563 -2.713 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.565 -5.021 -3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.082 -3.641 -4.485 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.085 -1.491 -2.611 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.260 -1.479 -4.383 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.704 -1.400 -3.346 1.00 0.00 H new ATOM 473 N CYS A 30 -3.630 -4.355 -3.448 1.00 0.00 N ATOM 474 CA CYS A 30 -5.025 -4.459 -3.231 1.00 0.00 C ATOM 475 C CYS A 30 -5.469 -3.682 -2.032 1.00 0.00 C ATOM 476 O CYS A 30 -4.938 -3.813 -0.977 1.00 0.00 O ATOM 477 CB CYS A 30 -5.416 -5.936 -3.104 1.00 0.00 C ATOM 478 SG CYS A 30 -5.194 -6.914 -4.631 1.00 0.00 S ATOM 0 H CYS A 30 -3.070 -4.909 -2.801 1.00 0.00 H new ATOM 0 HA CYS A 30 -5.535 -4.023 -4.090 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.823 -6.388 -2.309 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.460 -5.997 -2.797 1.00 0.00 H new ATOM 483 N GLY A 31 -6.410 -2.856 -2.245 1.00 0.00 N ATOM 484 CA GLY A 31 -7.021 -2.058 -1.215 1.00 0.00 C ATOM 485 C GLY A 31 -7.843 -2.782 -0.186 1.00 0.00 C ATOM 486 O GLY A 31 -8.854 -3.381 -0.530 1.00 0.00 O ATOM 0 H GLY A 31 -6.806 -2.695 -3.171 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.232 -1.514 -0.696 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.658 -1.315 -1.695 1.00 0.00 H new ATOM 490 N SER A 32 -7.428 -2.725 1.103 1.00 0.00 N ATOM 491 CA SER A 32 -8.314 -3.202 2.168 1.00 0.00 C ATOM 492 C SER A 32 -9.399 -2.158 2.298 1.00 0.00 C ATOM 493 O SER A 32 -10.565 -2.451 2.514 1.00 0.00 O ATOM 494 CB SER A 32 -7.596 -3.328 3.516 1.00 0.00 C ATOM 495 OG SER A 32 -6.494 -4.182 3.422 1.00 0.00 O ATOM 0 H SER A 32 -6.524 -2.368 1.412 1.00 0.00 H new ATOM 0 HA SER A 32 -8.691 -4.193 1.915 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.269 -2.343 3.851 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.290 -3.706 4.267 1.00 0.00 H new ATOM 0 HG SER A 32 -5.712 -3.675 3.120 1.00 0.00 H new ATOM 501 N ASP A 33 -8.980 -0.911 2.065 1.00 0.00 N ATOM 502 CA ASP A 33 -9.835 0.263 2.104 1.00 0.00 C ATOM 503 C ASP A 33 -10.541 0.475 0.769 1.00 0.00 C ATOM 504 O ASP A 33 -10.781 1.603 0.353 1.00 0.00 O ATOM 505 CB ASP A 33 -9.017 1.504 2.512 1.00 0.00 C ATOM 506 CG ASP A 33 -8.527 1.436 3.951 1.00 0.00 C ATOM 507 OD1 ASP A 33 -9.301 1.776 4.866 1.00 0.00 O ATOM 508 OD2 ASP A 33 -7.377 1.031 4.200 1.00 0.00 O ATOM 0 H ASP A 33 -8.010 -0.692 1.839 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.608 0.103 2.855 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.161 1.605 1.845 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.629 2.397 2.383 1.00 0.00 H new ATOM 513 N MET A 34 -10.864 -0.650 0.117 1.00 0.00 N ATOM 514 CA MET A 34 -11.705 -0.726 -1.098 1.00 0.00 C ATOM 515 C MET A 34 -11.077 -0.108 -2.362 1.00 0.00 C ATOM 516 O MET A 34 -11.768 0.127 -3.352 1.00 0.00 O ATOM 517 CB MET A 34 -13.097 -0.118 -0.830 1.00 0.00 C ATOM 518 CG MET A 34 -13.872 -0.781 0.312 1.00 0.00 C ATOM 519 SD MET A 34 -14.073 -2.573 0.123 1.00 0.00 S ATOM 520 CE MET A 34 -15.016 -2.656 -1.402 1.00 0.00 C ATOM 0 H MET A 34 -10.539 -1.566 0.427 1.00 0.00 H new ATOM 0 HA MET A 34 -11.797 -1.790 -1.317 1.00 0.00 H new ATOM 0 HB2 MET A 34 -12.979 0.942 -0.604 1.00 0.00 H new ATOM 0 HB3 MET A 34 -13.690 -0.186 -1.742 1.00 0.00 H new ATOM 0 HG2 MET A 34 -13.357 -0.580 1.251 1.00 0.00 H new ATOM 0 HG3 MET A 34 -14.857 -0.321 0.384 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.369 -3.676 -1.556 1.00 0.00 H new ATOM 0 HE2 MET A 34 -15.870 -1.982 -1.339 1.00 0.00 H new ATOM 0 HE3 MET A 34 -14.382 -2.361 -2.238 1.00 0.00 H new ATOM 530 N SER A 35 -9.788 0.106 -2.366 1.00 0.00 N ATOM 531 CA SER A 35 -9.151 0.691 -3.530 1.00 0.00 C ATOM 532 C SER A 35 -7.924 -0.117 -3.958 1.00 0.00 C ATOM 533 O SER A 35 -6.999 -0.191 -3.257 1.00 0.00 O ATOM 534 CB SER A 35 -8.730 2.135 -3.214 1.00 0.00 C ATOM 535 OG SER A 35 -9.819 2.883 -2.680 1.00 0.00 O ATOM 0 H SER A 35 -9.161 -0.110 -1.591 1.00 0.00 H new ATOM 0 HA SER A 35 -9.868 0.682 -4.351 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.905 2.129 -2.501 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.364 2.617 -4.121 1.00 0.00 H new ATOM 0 HG SER A 35 -9.524 3.797 -2.486 1.00 0.00 H new ATOM 541 N THR A 36 -7.968 -0.745 -5.067 1.00 0.00 N ATOM 542 CA THR A 36 -6.781 -1.389 -5.627 1.00 0.00 C ATOM 543 C THR A 36 -5.839 -0.280 -6.180 1.00 0.00 C ATOM 544 O THR A 36 -6.227 0.525 -7.027 1.00 0.00 O ATOM 545 CB THR A 36 -7.198 -2.375 -6.731 1.00 0.00 C ATOM 546 OG1 THR A 36 -8.175 -3.285 -6.183 1.00 0.00 O ATOM 547 CG2 THR A 36 -6.005 -3.170 -7.249 1.00 0.00 C ATOM 0 H THR A 36 -8.810 -0.844 -5.634 1.00 0.00 H new ATOM 0 HA THR A 36 -6.251 -1.956 -4.862 1.00 0.00 H new ATOM 0 HB THR A 36 -7.614 -1.812 -7.567 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.454 -3.921 -6.875 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.336 -3.857 -8.028 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.263 -2.486 -7.660 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.562 -3.737 -6.430 1.00 0.00 H new ATOM 555 N TYR A 37 -4.631 -0.251 -5.648 1.00 0.00 N ATOM 556 CA TYR A 37 -3.682 0.849 -5.792 1.00 0.00 C ATOM 557 C TYR A 37 -2.252 0.396 -5.721 1.00 0.00 C ATOM 558 O TYR A 37 -1.981 -0.761 -5.873 1.00 0.00 O ATOM 559 CB TYR A 37 -3.901 1.943 -4.735 1.00 0.00 C ATOM 560 CG TYR A 37 -4.322 1.554 -3.380 1.00 0.00 C ATOM 561 CD1 TYR A 37 -4.142 0.285 -2.857 1.00 0.00 C ATOM 562 CD2 TYR A 37 -4.921 2.501 -2.613 1.00 0.00 C ATOM 563 CE1 TYR A 37 -4.587 -0.012 -1.606 1.00 0.00 C ATOM 564 CE2 TYR A 37 -5.350 2.239 -1.376 1.00 0.00 C ATOM 565 CZ TYR A 37 -5.202 0.973 -0.855 1.00 0.00 C ATOM 566 OH TYR A 37 -5.695 0.679 0.399 1.00 0.00 O ATOM 0 H TYR A 37 -4.266 -1.018 -5.083 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.872 1.258 -6.784 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.970 2.501 -4.642 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.649 2.633 -5.126 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.646 -0.473 -3.445 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -5.054 3.495 -3.015 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.461 -1.006 -1.204 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -5.811 3.017 -0.786 1.00 0.00 H new ATOM 0 HH TYR A 37 -6.618 1.000 0.471 1.00 0.00 H new ATOM 576 N ALA A 38 -1.352 1.378 -5.653 1.00 0.00 N ATOM 577 CA ALA A 38 0.058 1.223 -5.300 1.00 0.00 C ATOM 578 C ALA A 38 0.644 2.590 -5.406 1.00 0.00 C ATOM 579 O ALA A 38 -0.078 3.551 -5.282 1.00 0.00 O ATOM 580 CB ALA A 38 0.815 0.210 -6.209 1.00 0.00 C ATOM 0 H ALA A 38 -1.599 2.348 -5.852 1.00 0.00 H new ATOM 0 HA ALA A 38 0.154 0.806 -4.297 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.856 0.144 -5.892 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.348 -0.771 -6.128 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.772 0.548 -7.244 1.00 0.00 H new ATOM 586 N ASN A 39 1.922 2.666 -5.549 1.00 0.00 N ATOM 587 CA ASN A 39 2.667 3.891 -5.822 1.00 0.00 C ATOM 588 C ASN A 39 2.684 4.906 -4.685 1.00 0.00 C ATOM 589 O ASN A 39 2.018 4.737 -3.656 1.00 0.00 O ATOM 590 CB ASN A 39 2.432 4.515 -7.241 1.00 0.00 C ATOM 591 CG ASN A 39 1.122 5.268 -7.373 1.00 0.00 C ATOM 592 OD1 ASN A 39 1.074 6.428 -7.068 1.00 0.00 O ATOM 593 ND2 ASN A 39 0.069 4.630 -7.837 1.00 0.00 N ATOM 0 H ASN A 39 2.525 1.846 -5.479 1.00 0.00 H new ATOM 0 HA ASN A 39 3.696 3.535 -5.866 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.254 5.193 -7.469 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.459 3.720 -7.986 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.818 5.122 -7.946 1.00 0.00 H new ATOM 0 HD22 ASN A 39 0.140 3.644 -8.088 1.00 0.00 H new ATOM 600 N GLU A 40 3.480 5.944 -4.850 1.00 0.00 N ATOM 601 CA GLU A 40 3.665 6.912 -3.795 1.00 0.00 C ATOM 602 C GLU A 40 2.548 7.951 -3.831 1.00 0.00 C ATOM 603 O GLU A 40 2.313 8.669 -2.869 1.00 0.00 O ATOM 604 CB GLU A 40 5.029 7.617 -3.910 1.00 0.00 C ATOM 605 CG GLU A 40 5.377 8.418 -2.661 1.00 0.00 C ATOM 606 CD GLU A 40 6.481 9.413 -2.850 1.00 0.00 C ATOM 607 OE1 GLU A 40 7.663 9.064 -2.679 1.00 0.00 O ATOM 608 OE2 GLU A 40 6.168 10.598 -3.113 1.00 0.00 O ATOM 0 H GLU A 40 4.006 6.136 -5.703 1.00 0.00 H new ATOM 0 HA GLU A 40 3.636 6.376 -2.846 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.805 6.873 -4.089 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.019 8.282 -4.774 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.485 8.944 -2.322 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.660 7.726 -1.868 1.00 0.00 H new ATOM 615 N CYS A 41 1.818 7.956 -4.894 1.00 0.00 N ATOM 616 CA CYS A 41 0.818 8.971 -5.121 1.00 0.00 C ATOM 617 C CYS A 41 -0.508 8.383 -4.822 1.00 0.00 C ATOM 618 O CYS A 41 -1.440 9.069 -4.406 1.00 0.00 O ATOM 619 CB CYS A 41 0.890 9.499 -6.558 1.00 0.00 C ATOM 620 SG CYS A 41 2.541 10.125 -7.008 1.00 0.00 S ATOM 0 H CYS A 41 1.889 7.261 -5.637 1.00 0.00 H new ATOM 0 HA CYS A 41 0.993 9.825 -4.467 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.611 8.701 -7.246 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.159 10.298 -6.682 1.00 0.00 H new ATOM 625 N THR A 42 -0.598 7.097 -4.993 1.00 0.00 N ATOM 626 CA THR A 42 -1.762 6.449 -4.640 1.00 0.00 C ATOM 627 C THR A 42 -1.618 5.857 -3.243 1.00 0.00 C ATOM 628 O THR A 42 -2.306 6.336 -2.356 1.00 0.00 O ATOM 629 CB THR A 42 -2.280 5.441 -5.680 1.00 0.00 C ATOM 630 OG1 THR A 42 -2.154 6.014 -6.989 1.00 0.00 O ATOM 631 CG2 THR A 42 -3.751 5.178 -5.441 1.00 0.00 C ATOM 0 H THR A 42 0.137 6.503 -5.377 1.00 0.00 H new ATOM 0 HA THR A 42 -2.551 7.201 -4.620 1.00 0.00 H new ATOM 0 HB THR A 42 -1.706 4.518 -5.598 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.750 5.545 -7.610 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.117 4.464 -6.178 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.890 4.770 -4.440 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.307 6.111 -5.532 1.00 0.00 H new ATOM 639 N LEU A 43 -0.662 4.902 -2.958 1.00 0.00 N ATOM 640 CA LEU A 43 -0.710 4.426 -1.546 1.00 0.00 C ATOM 641 C LEU A 43 -0.038 5.323 -0.688 1.00 0.00 C ATOM 642 O LEU A 43 -0.555 5.688 0.209 1.00 0.00 O ATOM 643 CB LEU A 43 -0.081 3.132 -1.152 1.00 0.00 C ATOM 644 CG LEU A 43 -0.701 1.879 -1.564 1.00 0.00 C ATOM 645 CD1 LEU A 43 0.257 0.741 -1.299 1.00 0.00 C ATOM 646 CD2 LEU A 43 -1.929 1.669 -0.744 1.00 0.00 C ATOM 0 H LEU A 43 0.041 4.505 -3.581 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.792 4.324 -1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.939 3.134 -1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.012 3.120 -0.064 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.949 1.915 -2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.201 -0.199 -1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.175 0.899 -1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.490 0.702 -0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.408 0.735 -1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.658 1.622 0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.620 2.497 -0.905 1.00 0.00 H new ATOM 658 N CYS A 44 1.168 5.630 -0.971 1.00 0.00 N ATOM 659 CA CYS A 44 1.988 6.374 0.020 1.00 0.00 C ATOM 660 C CYS A 44 1.355 7.689 0.488 1.00 0.00 C ATOM 661 O CYS A 44 1.500 8.065 1.662 1.00 0.00 O ATOM 662 CB CYS A 44 3.450 6.484 -0.389 1.00 0.00 C ATOM 663 SG CYS A 44 4.650 6.940 0.924 1.00 0.00 S ATOM 0 H CYS A 44 1.639 5.404 -1.847 1.00 0.00 H new ATOM 0 HA CYS A 44 1.994 5.760 0.921 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.757 5.527 -0.811 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.524 7.223 -1.187 1.00 0.00 H new ATOM 668 N MET A 45 0.583 8.322 -0.382 1.00 0.00 N ATOM 669 CA MET A 45 -0.203 9.470 0.048 1.00 0.00 C ATOM 670 C MET A 45 -1.229 8.953 1.004 1.00 0.00 C ATOM 671 O MET A 45 -1.239 9.294 2.206 1.00 0.00 O ATOM 672 CB MET A 45 -0.879 10.159 -1.138 1.00 0.00 C ATOM 673 CG MET A 45 0.110 10.778 -2.071 1.00 0.00 C ATOM 674 SD MET A 45 1.208 11.989 -1.273 1.00 0.00 S ATOM 675 CE MET A 45 0.053 13.278 -0.801 1.00 0.00 C ATOM 0 H MET A 45 0.484 8.070 -1.365 1.00 0.00 H new ATOM 0 HA MET A 45 0.439 10.215 0.518 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.483 9.433 -1.682 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.559 10.927 -0.770 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.716 9.991 -2.519 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.427 11.268 -2.883 1.00 0.00 H new ATOM 0 HE1 MET A 45 0.605 14.149 -0.448 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.553 13.557 -1.663 1.00 0.00 H new ATOM 0 HE3 MET A 45 -0.595 12.912 -0.005 1.00 0.00 H new ATOM 685 N LYS A 46 -2.013 8.024 0.480 1.00 0.00 N ATOM 686 CA LYS A 46 -3.017 7.317 1.213 1.00 0.00 C ATOM 687 C LYS A 46 -2.502 6.752 2.524 1.00 0.00 C ATOM 688 O LYS A 46 -3.172 6.850 3.547 1.00 0.00 O ATOM 689 CB LYS A 46 -3.520 6.120 0.413 1.00 0.00 C ATOM 690 CG LYS A 46 -4.966 6.170 -0.049 1.00 0.00 C ATOM 691 CD LYS A 46 -5.189 6.880 -1.394 1.00 0.00 C ATOM 692 CE LYS A 46 -4.889 8.365 -1.348 1.00 0.00 C ATOM 693 NZ LYS A 46 -5.103 9.017 -2.658 1.00 0.00 N ATOM 0 H LYS A 46 -1.956 7.742 -0.499 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.802 8.048 1.404 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.885 6.007 -0.466 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.387 5.224 1.020 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.344 5.150 -0.125 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.559 6.673 0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.560 6.413 -2.152 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.223 6.735 -1.706 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.524 8.839 -0.600 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.857 8.516 -1.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.886 10.031 -2.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.479 8.583 -3.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.094 8.896 -2.948 1.00 0.00 H new ATOM 707 N ILE A 47 -1.346 6.169 2.497 1.00 0.00 N ATOM 708 CA ILE A 47 -0.961 5.358 3.544 1.00 0.00 C ATOM 709 C ILE A 47 -0.597 6.149 4.781 1.00 0.00 C ATOM 710 O ILE A 47 -0.888 5.722 5.906 1.00 0.00 O ATOM 711 CB ILE A 47 0.077 4.258 3.127 1.00 0.00 C ATOM 712 CG1 ILE A 47 -0.005 3.000 4.012 1.00 0.00 C ATOM 713 CG2 ILE A 47 1.506 4.811 3.149 1.00 0.00 C ATOM 714 CD1 ILE A 47 0.668 3.066 5.376 1.00 0.00 C ATOM 0 H ILE A 47 -0.666 6.258 1.742 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.838 4.781 3.836 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.182 3.966 2.109 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.058 2.763 4.165 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.432 2.168 3.459 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.204 4.027 2.856 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.584 5.645 2.452 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.748 5.154 4.155 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.535 2.116 5.894 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.732 3.263 5.247 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.219 3.866 5.965 1.00 0.00 H new ATOM 726 N ARG A 48 0.016 7.307 4.571 1.00 0.00 N ATOM 727 CA ARG A 48 0.389 8.117 5.692 1.00 0.00 C ATOM 728 C ARG A 48 -0.861 8.643 6.359 1.00 0.00 C ATOM 729 O ARG A 48 -0.940 8.658 7.590 1.00 0.00 O ATOM 730 CB ARG A 48 1.331 9.236 5.268 1.00 0.00 C ATOM 731 CG ARG A 48 2.626 8.712 4.664 1.00 0.00 C ATOM 732 CD ARG A 48 3.602 9.822 4.369 1.00 0.00 C ATOM 733 NE ARG A 48 4.083 10.483 5.589 1.00 0.00 N ATOM 734 CZ ARG A 48 4.736 11.651 5.608 1.00 0.00 C ATOM 735 NH1 ARG A 48 4.956 12.309 4.473 1.00 0.00 N ATOM 736 NH2 ARG A 48 5.183 12.148 6.756 1.00 0.00 N ATOM 0 H ARG A 48 0.255 7.687 3.655 1.00 0.00 H new ATOM 0 HA ARG A 48 0.937 7.513 6.415 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.828 9.874 4.542 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.563 9.858 6.132 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.084 8.000 5.350 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.404 8.171 3.744 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.452 9.418 3.819 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.125 10.559 3.723 1.00 0.00 H new ATOM 0 HE ARG A 48 3.908 10.021 6.481 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.627 11.923 3.588 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.454 13.199 4.488 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.029 11.639 7.626 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.680 13.038 6.767 1.00 0.00 H new ATOM 750 N GLU A 49 -1.846 9.013 5.521 1.00 0.00 N ATOM 751 CA GLU A 49 -3.221 9.404 5.958 1.00 0.00 C ATOM 752 C GLU A 49 -4.004 9.954 4.807 1.00 0.00 C ATOM 753 O GLU A 49 -5.041 10.591 4.992 1.00 0.00 O ATOM 754 CB GLU A 49 -3.239 10.397 7.160 1.00 0.00 C ATOM 755 CG GLU A 49 -2.319 11.636 7.056 1.00 0.00 C ATOM 756 CD GLU A 49 -2.660 12.600 5.940 1.00 0.00 C ATOM 757 OE1 GLU A 49 -3.650 13.353 6.068 1.00 0.00 O ATOM 758 OE2 GLU A 49 -1.919 12.645 4.926 1.00 0.00 O ATOM 0 H GLU A 49 -1.720 9.053 4.510 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.695 8.490 6.315 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.263 10.745 7.298 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.966 9.846 8.060 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.353 12.175 8.003 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.292 11.296 6.920 1.00 0.00 H new ATOM 765 N GLY A 50 -3.561 9.641 3.612 1.00 0.00 N ATOM 766 CA GLY A 50 -4.277 10.088 2.463 1.00 0.00 C ATOM 767 C GLY A 50 -5.526 9.291 2.371 1.00 0.00 C ATOM 768 O GLY A 50 -6.476 9.683 1.720 1.00 0.00 O ATOM 0 H GLY A 50 -2.724 9.089 3.422 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.506 11.150 2.545 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.675 9.960 1.564 1.00 0.00 H new ATOM 772 N GLY A 51 -5.499 8.104 2.987 1.00 0.00 N ATOM 773 CA GLY A 51 -6.695 7.396 3.128 1.00 0.00 C ATOM 774 C GLY A 51 -7.003 7.103 4.570 1.00 0.00 C ATOM 775 O GLY A 51 -7.649 7.877 5.264 1.00 0.00 O ATOM 0 H GLY A 51 -4.668 7.655 3.373 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.512 7.971 2.691 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.631 6.460 2.572 1.00 0.00 H new ATOM 779 N HIS A 52 -6.519 5.984 5.008 1.00 0.00 N ATOM 780 CA HIS A 52 -6.862 5.392 6.291 1.00 0.00 C ATOM 781 C HIS A 52 -5.743 4.477 6.692 1.00 0.00 C ATOM 782 O HIS A 52 -5.981 3.266 6.712 1.00 0.00 O ATOM 783 CB HIS A 52 -8.123 4.511 6.147 1.00 0.00 C ATOM 784 CG HIS A 52 -9.421 5.218 5.881 1.00 0.00 C ATOM 785 ND1 HIS A 52 -10.213 5.745 6.877 1.00 0.00 N ATOM 786 CD2 HIS A 52 -10.076 5.454 4.722 1.00 0.00 C ATOM 787 CE1 HIS A 52 -11.296 6.268 6.337 1.00 0.00 C ATOM 788 NE2 HIS A 52 -11.237 6.104 5.038 1.00 0.00 N ATOM 0 H HIS A 52 -5.851 5.428 4.475 1.00 0.00 H new ATOM 0 HA HIS A 52 -7.032 6.186 7.018 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -7.951 3.803 5.337 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -8.236 3.928 7.061 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.744 5.180 3.731 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -12.098 6.751 6.875 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -11.944 6.412 4.370 1.00 0.00 H new ATOM 797 N ASN A 53 -4.581 5.029 7.055 1.00 0.00 N ATOM 798 CA ASN A 53 -3.326 4.249 7.335 1.00 0.00 C ATOM 799 C ASN A 53 -3.334 2.878 6.596 1.00 0.00 C ATOM 800 O ASN A 53 -3.514 1.823 7.216 1.00 0.00 O ATOM 801 CB ASN A 53 -3.083 4.067 8.840 1.00 0.00 C ATOM 802 CG ASN A 53 -1.660 3.521 9.165 1.00 0.00 C ATOM 803 OD1 ASN A 53 -1.480 2.813 10.155 1.00 0.00 O ATOM 804 ND2 ASN A 53 -0.626 3.856 8.355 1.00 0.00 N ATOM 0 H ASN A 53 -4.462 6.036 7.169 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.494 4.835 6.945 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.223 5.024 9.343 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.830 3.383 9.243 1.00 0.00 H new ATOM 0 HD21 ASN A 53 0.314 3.520 8.563 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.788 4.444 7.537 1.00 0.00 H new ATOM 811 N ILE A 54 -3.240 2.952 5.265 1.00 0.00 N ATOM 812 CA ILE A 54 -3.474 1.815 4.348 1.00 0.00 C ATOM 813 C ILE A 54 -2.834 0.494 4.704 1.00 0.00 C ATOM 814 O ILE A 54 -1.661 0.407 5.055 1.00 0.00 O ATOM 815 CB ILE A 54 -3.239 2.148 2.833 1.00 0.00 C ATOM 816 CG1 ILE A 54 -4.402 2.954 2.238 1.00 0.00 C ATOM 817 CG2 ILE A 54 -3.111 0.867 2.050 1.00 0.00 C ATOM 818 CD1 ILE A 54 -4.786 4.193 2.974 1.00 0.00 C ATOM 0 H ILE A 54 -2.995 3.815 4.779 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.541 1.660 4.509 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.328 2.743 2.768 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.141 3.229 1.216 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.275 2.305 2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.948 1.099 0.997 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.267 0.291 2.430 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.025 0.283 2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.617 4.678 2.462 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.087 3.935 3.989 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.935 4.873 3.010 1.00 0.00 H new ATOM 830 N LYS A 55 -3.644 -0.534 4.574 1.00 0.00 N ATOM 831 CA LYS A 55 -3.236 -1.860 4.687 1.00 0.00 C ATOM 832 C LYS A 55 -3.639 -2.392 3.361 1.00 0.00 C ATOM 833 O LYS A 55 -4.798 -2.205 2.973 1.00 0.00 O ATOM 834 CB LYS A 55 -4.028 -2.667 5.759 1.00 0.00 C ATOM 835 CG LYS A 55 -4.636 -1.878 6.920 1.00 0.00 C ATOM 836 CD LYS A 55 -5.880 -1.098 6.473 1.00 0.00 C ATOM 837 CE LYS A 55 -6.316 -0.068 7.481 1.00 0.00 C ATOM 838 NZ LYS A 55 -7.441 0.731 6.956 1.00 0.00 N ATOM 0 H LYS A 55 -4.640 -0.432 4.379 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.185 -1.935 4.967 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.834 -3.199 5.254 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.360 -3.421 6.176 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.903 -2.561 7.726 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.895 -1.186 7.320 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.672 -0.605 5.523 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.698 -1.797 6.297 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.614 -0.561 8.407 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.480 0.588 7.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.256 1.741 7.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.542 0.560 5.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.319 0.456 7.441 1.00 0.00 H new ATOM 852 N ILE A 56 -2.761 -2.936 2.615 1.00 0.00 N ATOM 853 CA ILE A 56 -3.193 -3.515 1.418 1.00 0.00 C ATOM 854 C ILE A 56 -3.741 -4.875 1.770 1.00 0.00 C ATOM 855 O ILE A 56 -3.141 -5.595 2.587 1.00 0.00 O ATOM 856 CB ILE A 56 -2.109 -3.633 0.360 1.00 0.00 C ATOM 857 CG1 ILE A 56 -0.928 -4.462 0.830 1.00 0.00 C ATOM 858 CG2 ILE A 56 -1.705 -2.262 -0.129 1.00 0.00 C ATOM 859 CD1 ILE A 56 0.240 -4.460 -0.124 1.00 0.00 C ATOM 0 H ILE A 56 -1.761 -2.991 2.808 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.947 -2.868 0.968 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.522 -4.179 -0.488 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.595 -4.086 1.797 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.257 -5.490 0.984 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.928 -2.360 -0.887 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.571 -1.760 -0.561 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.325 -1.675 0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.043 -5.074 0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.075 -4.865 -1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.597 -3.439 -0.260 1.00 0.00 H new ATOM 871 N ILE A 57 -4.863 -5.212 1.220 1.00 0.00 N ATOM 872 CA ILE A 57 -5.513 -6.444 1.561 1.00 0.00 C ATOM 873 C ILE A 57 -4.707 -7.569 1.021 1.00 0.00 C ATOM 874 O ILE A 57 -4.491 -8.594 1.667 1.00 0.00 O ATOM 875 CB ILE A 57 -7.008 -6.489 1.097 1.00 0.00 C ATOM 876 CG1 ILE A 57 -7.717 -7.709 1.619 1.00 0.00 C ATOM 877 CG2 ILE A 57 -7.171 -6.374 -0.406 1.00 0.00 C ATOM 878 CD1 ILE A 57 -9.182 -7.804 1.230 1.00 0.00 C ATOM 0 H ILE A 57 -5.355 -4.648 0.526 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.563 -6.532 2.646 1.00 0.00 H new ATOM 0 HB ILE A 57 -7.478 -5.607 1.532 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.200 -8.597 1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.642 -7.719 2.706 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.230 -6.412 -0.661 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.749 -5.428 -0.746 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.651 -7.199 -0.893 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.612 -8.714 1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.718 -6.938 1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -9.269 -7.829 0.144 1.00 0.00 H new ATOM 890 N ARG A 58 -4.236 -7.327 -0.136 1.00 0.00 N ATOM 891 CA ARG A 58 -3.326 -8.154 -0.782 1.00 0.00 C ATOM 892 C ARG A 58 -2.185 -7.405 -1.325 1.00 0.00 C ATOM 893 O ARG A 58 -2.300 -6.251 -1.743 1.00 0.00 O ATOM 894 CB ARG A 58 -3.909 -9.195 -1.719 1.00 0.00 C ATOM 895 CG ARG A 58 -4.631 -10.333 -1.031 1.00 0.00 C ATOM 896 CD ARG A 58 -3.698 -11.110 -0.120 1.00 0.00 C ATOM 897 NE ARG A 58 -2.685 -11.886 -0.848 1.00 0.00 N ATOM 898 CZ ARG A 58 -1.816 -12.716 -0.252 1.00 0.00 C ATOM 899 NH1 ARG A 58 -1.868 -12.894 1.069 1.00 0.00 N ATOM 900 NH2 ARG A 58 -0.916 -13.374 -0.968 1.00 0.00 N ATOM 0 H ARG A 58 -4.493 -6.503 -0.679 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.928 -8.789 0.009 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.602 -8.702 -2.401 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.104 -9.608 -2.327 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.465 -9.939 -0.450 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.053 -11.004 -1.779 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.197 -10.415 0.554 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.287 -11.786 0.500 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.640 -11.788 -1.862 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.567 -12.400 1.623 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.209 -13.525 1.525 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.880 -13.251 -1.980 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.259 -14.003 -0.507 1.00 0.00 H new ATOM 914 N ASN A 59 -1.087 -8.080 -1.320 1.00 0.00 N ATOM 915 CA ASN A 59 0.188 -7.528 -1.619 1.00 0.00 C ATOM 916 C ASN A 59 0.444 -7.481 -3.126 1.00 0.00 C ATOM 917 O ASN A 59 1.523 -7.107 -3.566 1.00 0.00 O ATOM 918 CB ASN A 59 1.230 -8.395 -0.934 1.00 0.00 C ATOM 919 CG ASN A 59 1.411 -9.762 -1.588 1.00 0.00 C ATOM 920 OD1 ASN A 59 0.686 -10.693 -1.274 1.00 0.00 O ATOM 921 ND2 ASN A 59 2.377 -9.893 -2.458 1.00 0.00 N ATOM 0 H ASN A 59 -1.053 -9.075 -1.098 1.00 0.00 H new ATOM 0 HA ASN A 59 0.236 -6.500 -1.260 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.186 -7.871 -0.936 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.946 -8.535 0.109 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.546 -10.796 -2.900 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.962 -9.092 -2.695 1.00 0.00 H new ATOM 928 N GLY A 60 -0.542 -7.862 -3.899 1.00 0.00 N ATOM 929 CA GLY A 60 -0.393 -7.874 -5.328 1.00 0.00 C ATOM 930 C GLY A 60 -1.436 -8.744 -5.994 1.00 0.00 C ATOM 931 O GLY A 60 -2.411 -8.231 -6.537 1.00 0.00 O ATOM 0 H GLY A 60 -1.455 -8.167 -3.561 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.471 -6.856 -5.710 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.602 -8.236 -5.587 1.00 0.00 H new ATOM 935 N PRO A 61 -1.288 -10.075 -5.949 1.00 0.00 N ATOM 936 CA PRO A 61 -2.227 -10.973 -6.590 1.00 0.00 C ATOM 937 C PRO A 61 -3.532 -11.113 -5.798 1.00 0.00 C ATOM 938 O PRO A 61 -3.530 -11.498 -4.608 1.00 0.00 O ATOM 939 CB PRO A 61 -1.476 -12.319 -6.664 1.00 0.00 C ATOM 940 CG PRO A 61 -0.100 -12.051 -6.135 1.00 0.00 C ATOM 941 CD PRO A 61 -0.204 -10.816 -5.291 1.00 0.00 C ATOM 0 HA PRO A 61 -2.532 -10.604 -7.569 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -1.981 -13.081 -6.071 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.435 -12.688 -7.689 1.00 0.00 H new ATOM 0 HG2 PRO A 61 0.261 -12.894 -5.546 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.608 -11.905 -6.951 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.444 -11.052 -4.254 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.728 -10.250 -5.282 1.00 0.00 H new ATOM 949 N CYS A 62 -4.610 -10.783 -6.452 1.00 0.00 N ATOM 950 CA CYS A 62 -5.938 -10.891 -5.914 1.00 0.00 C ATOM 951 C CYS A 62 -6.795 -11.648 -6.896 1.00 0.00 C ATOM 952 O CYS A 62 -7.403 -11.032 -7.777 1.00 0.00 O ATOM 953 CB CYS A 62 -6.543 -9.505 -5.615 1.00 0.00 C ATOM 954 SG CYS A 62 -5.900 -8.735 -4.103 1.00 0.00 S ATOM 955 OXT CYS A 62 -6.823 -12.893 -6.828 1.00 0.00 O ATOM 0 H CYS A 62 -4.588 -10.420 -7.405 1.00 0.00 H new ATOM 0 HA CYS A 62 -5.896 -11.428 -4.967 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.348 -8.844 -6.459 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.625 -9.602 -5.530 1.00 0.00 H new TER 960 CYS A 62