USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 457 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 16 SER OG : rot -173:sc= 1.11 USER MOD Set 1.2: A 46 SER OG : rot 65:sc= 1.28 USER MOD Set 2.1: A 35 THR OG1 : rot -160:sc= 0.247 USER MOD Set 2.2: A 37 ASN : amide:sc= 0.258 X(o=0.51,f=0.79) USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.00621) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0845 (180deg=-0.294) USER MOD Single : A 3 CYS SG : rot 71:sc= 0.502 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -113:sc= 2.55 (180deg=0.562) USER MOD Single : A 19 SER OG : rot 63:sc= 1.19 USER MOD Single : A 21 THR OG1 : rot 81:sc= 0.0195 USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= 1.24 (180deg=1.1) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 177:sc= 1.17 (180deg=1.16) USER MOD Single : A 41 THR OG1 : rot -90:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.507 K(o=0.51,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.344 1.114 -9.017 1.00 0.00 N ATOM 2 CA MET A 1 -6.881 1.178 -7.653 1.00 0.00 C ATOM 3 C MET A 1 -6.842 -0.174 -6.912 1.00 0.00 C ATOM 4 O MET A 1 -7.158 -0.232 -5.722 1.00 0.00 O ATOM 5 CB MET A 1 -8.315 1.744 -7.681 1.00 0.00 C ATOM 6 CG MET A 1 -8.388 3.189 -8.197 1.00 0.00 C ATOM 7 SD MET A 1 -7.442 4.427 -7.254 1.00 0.00 S ATOM 8 CE MET A 1 -8.406 4.490 -5.717 1.00 0.00 C ATOM 0 H1 MET A 1 -6.194 2.078 -9.377 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.438 0.603 -9.010 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.018 0.616 -9.632 1.00 0.00 H new ATOM 0 HA MET A 1 -6.230 1.846 -7.089 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.937 1.109 -8.312 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.734 1.703 -6.676 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.037 3.203 -9.229 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.434 3.495 -8.212 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.973 5.232 -5.046 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.436 4.763 -5.945 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.388 3.512 -5.236 1.00 0.00 H new ATOM 18 N LEU A 2 -6.420 -1.251 -7.587 1.00 0.00 N ATOM 19 CA LEU A 2 -6.165 -2.575 -7.003 1.00 0.00 C ATOM 20 C LEU A 2 -4.670 -2.819 -6.795 1.00 0.00 C ATOM 21 O LEU A 2 -3.822 -2.250 -7.488 1.00 0.00 O ATOM 22 CB LEU A 2 -6.817 -3.677 -7.861 1.00 0.00 C ATOM 23 CG LEU A 2 -8.349 -3.576 -7.989 1.00 0.00 C ATOM 24 CD1 LEU A 2 -8.856 -4.685 -8.913 1.00 0.00 C ATOM 25 CD2 LEU A 2 -9.065 -3.723 -6.646 1.00 0.00 C ATOM 0 H LEU A 2 -6.240 -1.224 -8.591 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.625 -2.607 -6.015 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.380 -3.646 -8.859 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.566 -4.647 -7.433 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.567 -2.585 -8.388 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.940 -4.615 -9.005 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.401 -4.575 -9.897 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.589 -5.656 -8.496 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.142 -3.644 -6.797 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.830 -4.695 -6.213 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.734 -2.935 -5.969 1.00 0.00 H new ATOM 37 N CYS A 3 -4.363 -3.687 -5.828 1.00 0.00 N ATOM 38 CA CYS A 3 -3.028 -3.891 -5.302 1.00 0.00 C ATOM 39 C CYS A 3 -1.965 -4.281 -6.334 1.00 0.00 C ATOM 40 O CYS A 3 -2.158 -5.182 -7.150 1.00 0.00 O ATOM 41 CB CYS A 3 -3.095 -4.840 -4.086 1.00 0.00 C ATOM 42 SG CYS A 3 -4.688 -4.857 -3.221 1.00 0.00 S ATOM 0 H CYS A 3 -5.063 -4.280 -5.382 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.666 -2.918 -4.969 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.868 -5.852 -4.420 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.316 -4.556 -3.378 1.00 0.00 H new ATOM 0 HG CYS A 3 -5.579 -5.442 -3.965 1.00 0.00 H new ATOM 48 N ALA A 4 -0.794 -3.646 -6.230 1.00 0.00 N ATOM 49 CA ALA A 4 0.367 -3.999 -7.064 1.00 0.00 C ATOM 50 C ALA A 4 0.931 -5.391 -6.710 1.00 0.00 C ATOM 51 O ALA A 4 1.590 -6.039 -7.525 1.00 0.00 O ATOM 52 CB ALA A 4 1.458 -2.935 -6.905 1.00 0.00 C ATOM 0 H ALA A 4 -0.621 -2.883 -5.576 1.00 0.00 H new ATOM 0 HA ALA A 4 0.034 -4.036 -8.101 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.316 -3.199 -7.523 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.069 -1.966 -7.218 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.766 -2.883 -5.861 1.00 0.00 H new ATOM 58 N ILE A 5 0.672 -5.834 -5.473 1.00 0.00 N ATOM 59 CA ILE A 5 1.273 -7.016 -4.850 1.00 0.00 C ATOM 60 C ILE A 5 0.453 -8.294 -5.116 1.00 0.00 C ATOM 61 O ILE A 5 1.021 -9.295 -5.553 1.00 0.00 O ATOM 62 CB ILE A 5 1.513 -6.703 -3.352 1.00 0.00 C ATOM 63 CG1 ILE A 5 2.693 -5.709 -3.259 1.00 0.00 C ATOM 64 CG2 ILE A 5 1.853 -7.996 -2.584 1.00 0.00 C ATOM 65 CD1 ILE A 5 2.846 -5.050 -1.888 1.00 0.00 C ATOM 0 H ILE A 5 0.012 -5.359 -4.857 1.00 0.00 H new ATOM 0 HA ILE A 5 2.239 -7.237 -5.303 1.00 0.00 H new ATOM 0 HB ILE A 5 0.615 -6.272 -2.909 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.617 -6.234 -3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.560 -4.932 -4.011 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.019 -7.762 -1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.026 -8.700 -2.672 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.755 -8.442 -3.003 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.696 -4.367 -1.905 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.939 -4.495 -1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.013 -5.817 -1.132 1.00 0.00 H new ATOM 77 N SER A 6 -0.870 -8.261 -4.895 1.00 0.00 N ATOM 78 CA SER A 6 -1.787 -9.392 -5.164 1.00 0.00 C ATOM 79 C SER A 6 -2.989 -9.048 -6.062 1.00 0.00 C ATOM 80 O SER A 6 -3.546 -9.925 -6.726 1.00 0.00 O ATOM 81 CB SER A 6 -2.249 -10.036 -3.849 1.00 0.00 C ATOM 82 OG SER A 6 -2.856 -11.302 -4.055 1.00 0.00 O ATOM 0 H SER A 6 -1.344 -7.440 -4.520 1.00 0.00 H new ATOM 0 HA SER A 6 -1.202 -10.110 -5.739 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.394 -10.149 -3.182 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.956 -9.373 -3.351 1.00 0.00 H new ATOM 0 HG SER A 6 -3.133 -11.676 -3.193 1.00 0.00 H new ATOM 88 N GLY A 7 -3.384 -7.769 -6.127 1.00 0.00 N ATOM 89 CA GLY A 7 -4.541 -7.302 -6.902 1.00 0.00 C ATOM 90 C GLY A 7 -5.881 -7.609 -6.236 1.00 0.00 C ATOM 91 O GLY A 7 -6.932 -7.645 -6.879 1.00 0.00 O ATOM 0 H GLY A 7 -2.900 -7.018 -5.634 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.457 -6.226 -7.053 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.519 -7.765 -7.888 1.00 0.00 H new ATOM 95 N LYS A 8 -5.801 -7.874 -4.930 1.00 0.00 N ATOM 96 CA LYS A 8 -6.865 -8.284 -4.014 1.00 0.00 C ATOM 97 C LYS A 8 -7.909 -7.171 -3.831 1.00 0.00 C ATOM 98 O LYS A 8 -7.591 -5.994 -3.991 1.00 0.00 O ATOM 99 CB LYS A 8 -6.143 -8.654 -2.703 1.00 0.00 C ATOM 100 CG LYS A 8 -7.011 -9.181 -1.553 1.00 0.00 C ATOM 101 CD LYS A 8 -7.639 -10.544 -1.896 1.00 0.00 C ATOM 102 CE LYS A 8 -8.536 -11.080 -0.773 1.00 0.00 C ATOM 103 NZ LYS A 8 -7.759 -11.504 0.425 1.00 0.00 N ATOM 0 H LYS A 8 -4.907 -7.800 -4.444 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.437 -9.131 -4.394 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.391 -9.409 -2.932 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.611 -7.771 -2.349 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.404 -9.276 -0.652 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.800 -8.462 -1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -8.225 -10.450 -2.810 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.846 -11.264 -2.098 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.251 -10.309 -0.484 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.113 -11.926 -1.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.411 -11.858 1.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.095 -12.259 0.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.228 -10.692 0.800 1.00 0.00 H new ATOM 117 N VAL A 9 -9.145 -7.525 -3.467 1.00 0.00 N ATOM 118 CA VAL A 9 -10.188 -6.570 -3.043 1.00 0.00 C ATOM 119 C VAL A 9 -9.751 -5.878 -1.731 1.00 0.00 C ATOM 120 O VAL A 9 -9.657 -6.557 -0.704 1.00 0.00 O ATOM 121 CB VAL A 9 -11.579 -7.239 -2.964 1.00 0.00 C ATOM 122 CG1 VAL A 9 -11.685 -8.473 -2.055 1.00 0.00 C ATOM 123 CG2 VAL A 9 -12.654 -6.225 -2.558 1.00 0.00 C ATOM 0 H VAL A 9 -9.459 -8.495 -3.456 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.298 -5.791 -3.798 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.742 -7.606 -3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -12.705 -8.856 -2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.999 -9.244 -2.407 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.426 -8.196 -1.033 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -13.623 -6.722 -2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.411 -5.809 -1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -12.694 -5.422 -3.294 1.00 0.00 H new ATOM 133 N PRO A 10 -9.392 -4.576 -1.732 1.00 0.00 N ATOM 134 CA PRO A 10 -8.801 -3.910 -0.565 1.00 0.00 C ATOM 135 C PRO A 10 -9.697 -3.944 0.687 1.00 0.00 C ATOM 136 O PRO A 10 -10.821 -3.432 0.679 1.00 0.00 O ATOM 137 CB PRO A 10 -8.490 -2.477 -1.018 1.00 0.00 C ATOM 138 CG PRO A 10 -8.357 -2.591 -2.531 1.00 0.00 C ATOM 139 CD PRO A 10 -9.409 -3.644 -2.857 1.00 0.00 C ATOM 0 HA PRO A 10 -7.902 -4.437 -0.246 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.287 -1.788 -0.738 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.572 -2.105 -0.563 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.558 -1.644 -3.032 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.357 -2.905 -2.831 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.393 -3.191 -2.976 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.177 -4.154 -3.792 1.00 0.00 H new ATOM 147 N ARG A 11 -9.197 -4.540 1.774 1.00 0.00 N ATOM 148 CA ARG A 11 -9.772 -4.513 3.133 1.00 0.00 C ATOM 149 C ARG A 11 -9.383 -3.218 3.848 1.00 0.00 C ATOM 150 O ARG A 11 -10.257 -2.524 4.371 1.00 0.00 O ATOM 151 CB ARG A 11 -9.302 -5.766 3.902 1.00 0.00 C ATOM 152 CG ARG A 11 -9.862 -5.900 5.329 1.00 0.00 C ATOM 153 CD ARG A 11 -11.389 -6.059 5.362 1.00 0.00 C ATOM 154 NE ARG A 11 -11.871 -6.314 6.731 1.00 0.00 N ATOM 155 CZ ARG A 11 -13.118 -6.543 7.107 1.00 0.00 C ATOM 156 NH1 ARG A 11 -14.109 -6.560 6.258 1.00 0.00 N ATOM 157 NH2 ARG A 11 -13.398 -6.765 8.360 1.00 0.00 N ATOM 0 H ARG A 11 -8.335 -5.084 1.733 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.861 -4.532 3.081 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.585 -6.651 3.332 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.213 -5.755 3.954 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.402 -6.761 5.814 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.581 -5.020 5.908 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.859 -5.157 4.971 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.685 -6.881 4.711 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.166 -6.314 7.469 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.934 -6.393 5.267 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.058 -6.740 6.585 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.653 -6.763 9.057 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.362 -6.941 8.644 1.00 0.00 H new ATOM 171 N ARG A 12 -8.091 -2.869 3.825 1.00 0.00 N ATOM 172 CA ARG A 12 -7.523 -1.582 4.255 1.00 0.00 C ATOM 173 C ARG A 12 -6.620 -1.020 3.142 1.00 0.00 C ATOM 174 O ARG A 12 -5.415 -1.280 3.153 1.00 0.00 O ATOM 175 CB ARG A 12 -6.789 -1.741 5.603 1.00 0.00 C ATOM 176 CG ARG A 12 -7.760 -1.903 6.784 1.00 0.00 C ATOM 177 CD ARG A 12 -6.987 -1.971 8.107 1.00 0.00 C ATOM 178 NE ARG A 12 -7.902 -2.074 9.262 1.00 0.00 N ATOM 179 CZ ARG A 12 -7.570 -2.095 10.542 1.00 0.00 C ATOM 180 NH1 ARG A 12 -6.331 -2.038 10.941 1.00 0.00 N ATOM 181 NH2 ARG A 12 -8.491 -2.178 11.460 1.00 0.00 N ATOM 0 H ARG A 12 -7.373 -3.511 3.488 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.321 -0.859 4.422 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.131 -2.609 5.555 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.156 -0.870 5.774 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.458 -1.066 6.806 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.352 -2.809 6.655 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.317 -2.830 8.094 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.364 -1.082 8.212 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.898 -2.136 9.049 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.577 -1.975 10.257 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.115 -2.057 11.938 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.474 -2.227 11.193 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.229 -2.194 12.446 1.00 0.00 H new ATOM 195 N PRO A 13 -7.173 -0.286 2.154 1.00 0.00 N ATOM 196 CA PRO A 13 -6.406 0.330 1.080 1.00 0.00 C ATOM 197 C PRO A 13 -5.369 1.304 1.625 1.00 0.00 C ATOM 198 O PRO A 13 -5.601 2.071 2.563 1.00 0.00 O ATOM 199 CB PRO A 13 -7.407 1.004 0.129 1.00 0.00 C ATOM 200 CG PRO A 13 -8.697 1.062 0.941 1.00 0.00 C ATOM 201 CD PRO A 13 -8.573 -0.168 1.829 1.00 0.00 C ATOM 0 HA PRO A 13 -5.835 -0.421 0.534 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.073 2.000 -0.163 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.537 0.429 -0.788 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.770 1.980 1.524 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.581 1.018 0.305 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.175 -0.060 2.731 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.930 -1.059 1.313 1.00 0.00 H new ATOM 209 N VAL A 14 -4.197 1.236 1.019 1.00 0.00 N ATOM 210 CA VAL A 14 -2.970 1.900 1.468 1.00 0.00 C ATOM 211 C VAL A 14 -2.134 2.328 0.258 1.00 0.00 C ATOM 212 O VAL A 14 -2.232 1.725 -0.810 1.00 0.00 O ATOM 213 CB VAL A 14 -2.224 0.955 2.451 1.00 0.00 C ATOM 214 CG1 VAL A 14 -1.033 0.204 1.860 1.00 0.00 C ATOM 215 CG2 VAL A 14 -1.777 1.696 3.708 1.00 0.00 C ATOM 0 H VAL A 14 -4.061 0.696 0.164 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.191 2.818 2.013 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.969 0.199 2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.584 -0.427 2.627 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.370 -0.418 1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.294 0.920 1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.259 1.005 4.373 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.104 2.507 3.432 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.649 2.106 4.218 1.00 0.00 H new ATOM 225 N LEU A 15 -1.303 3.358 0.410 1.00 0.00 N ATOM 226 CA LEU A 15 -0.466 3.937 -0.645 1.00 0.00 C ATOM 227 C LEU A 15 0.948 4.219 -0.106 1.00 0.00 C ATOM 228 O LEU A 15 1.145 4.444 1.093 1.00 0.00 O ATOM 229 CB LEU A 15 -1.182 5.220 -1.139 1.00 0.00 C ATOM 230 CG LEU A 15 -0.429 6.097 -2.166 1.00 0.00 C ATOM 231 CD1 LEU A 15 -1.411 6.786 -3.118 1.00 0.00 C ATOM 232 CD2 LEU A 15 0.376 7.221 -1.499 1.00 0.00 C ATOM 0 H LEU A 15 -1.188 3.832 1.306 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.339 3.251 -1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.135 4.927 -1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.409 5.837 -0.269 1.00 0.00 H new ATOM 0 HG LEU A 15 0.239 5.417 -2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.858 7.397 -3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.986 6.032 -3.655 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.089 7.420 -2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.885 7.807 -2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.298 7.867 -0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.113 6.789 -0.822 1.00 0.00 H new ATOM 244 N SER A 16 1.928 4.255 -1.009 1.00 0.00 N ATOM 245 CA SER A 16 3.299 4.722 -0.766 1.00 0.00 C ATOM 246 C SER A 16 3.619 5.816 -1.792 1.00 0.00 C ATOM 247 O SER A 16 3.289 5.642 -2.971 1.00 0.00 O ATOM 248 CB SER A 16 4.298 3.570 -0.908 1.00 0.00 C ATOM 249 OG SER A 16 5.622 4.041 -0.745 1.00 0.00 O ATOM 0 H SER A 16 1.785 3.947 -1.971 1.00 0.00 H new ATOM 0 HA SER A 16 3.378 5.112 0.249 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.085 2.802 -0.165 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.189 3.105 -1.888 1.00 0.00 H new ATOM 0 HG SER A 16 6.253 3.319 -0.948 1.00 0.00 H new ATOM 255 N PRO A 17 4.255 6.941 -1.406 1.00 0.00 N ATOM 256 CA PRO A 17 4.559 8.037 -2.330 1.00 0.00 C ATOM 257 C PRO A 17 5.586 7.666 -3.419 1.00 0.00 C ATOM 258 O PRO A 17 5.748 8.418 -4.384 1.00 0.00 O ATOM 259 CB PRO A 17 5.046 9.187 -1.439 1.00 0.00 C ATOM 260 CG PRO A 17 5.629 8.477 -0.219 1.00 0.00 C ATOM 261 CD PRO A 17 4.712 7.266 -0.060 1.00 0.00 C ATOM 0 HA PRO A 17 3.675 8.309 -2.906 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.796 9.795 -1.945 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.229 9.853 -1.162 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.665 8.181 -0.381 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.614 9.114 0.665 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.245 6.427 0.386 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.871 7.494 0.595 1.00 0.00 H new ATOM 269 N LYS A 18 6.242 6.507 -3.296 1.00 0.00 N ATOM 270 CA LYS A 18 7.178 5.917 -4.263 1.00 0.00 C ATOM 271 C LYS A 18 6.439 5.326 -5.472 1.00 0.00 C ATOM 272 O LYS A 18 6.534 5.879 -6.568 1.00 0.00 O ATOM 273 CB LYS A 18 8.040 4.887 -3.518 1.00 0.00 C ATOM 274 CG LYS A 18 9.180 5.550 -2.733 1.00 0.00 C ATOM 275 CD LYS A 18 9.628 4.674 -1.556 1.00 0.00 C ATOM 276 CE LYS A 18 10.962 5.189 -1.009 1.00 0.00 C ATOM 277 NZ LYS A 18 11.295 4.556 0.285 1.00 0.00 N ATOM 0 H LYS A 18 6.128 5.920 -2.470 1.00 0.00 H new ATOM 0 HA LYS A 18 7.831 6.684 -4.680 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.412 4.317 -2.833 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.457 4.178 -4.233 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.025 5.731 -3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.853 6.521 -2.362 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.872 4.688 -0.771 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.732 3.638 -1.880 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.755 4.987 -1.729 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.913 6.271 -0.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.264 5.271 1.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.606 3.805 0.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.249 4.146 0.235 1.00 0.00 H new ATOM 291 N SER A 19 5.669 4.250 -5.286 1.00 0.00 N ATOM 292 CA SER A 19 4.812 3.654 -6.321 1.00 0.00 C ATOM 293 C SER A 19 3.684 4.593 -6.774 1.00 0.00 C ATOM 294 O SER A 19 3.329 4.600 -7.953 1.00 0.00 O ATOM 295 CB SER A 19 4.180 2.358 -5.802 1.00 0.00 C ATOM 296 OG SER A 19 5.170 1.397 -5.498 1.00 0.00 O ATOM 0 H SER A 19 5.621 3.757 -4.394 1.00 0.00 H new ATOM 0 HA SER A 19 5.457 3.458 -7.177 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.588 2.569 -4.912 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.497 1.957 -6.551 1.00 0.00 H new ATOM 0 HG SER A 19 5.742 1.733 -4.777 1.00 0.00 H new ATOM 302 N ARG A 20 3.106 5.369 -5.840 1.00 0.00 N ATOM 303 CA ARG A 20 1.901 6.222 -5.984 1.00 0.00 C ATOM 304 C ARG A 20 0.592 5.461 -6.290 1.00 0.00 C ATOM 305 O ARG A 20 -0.473 6.071 -6.379 1.00 0.00 O ATOM 306 CB ARG A 20 2.189 7.353 -7.000 1.00 0.00 C ATOM 307 CG ARG A 20 1.458 8.683 -6.731 1.00 0.00 C ATOM 308 CD ARG A 20 1.932 9.417 -5.465 1.00 0.00 C ATOM 309 NE ARG A 20 3.377 9.714 -5.497 1.00 0.00 N ATOM 310 CZ ARG A 20 4.000 10.743 -6.039 1.00 0.00 C ATOM 311 NH1 ARG A 20 3.377 11.710 -6.651 1.00 0.00 N ATOM 312 NH2 ARG A 20 5.297 10.805 -5.967 1.00 0.00 N ATOM 0 H ARG A 20 3.491 5.424 -4.897 1.00 0.00 H new ATOM 0 HA ARG A 20 1.706 6.658 -5.004 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.262 7.543 -7.012 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.916 7.003 -7.995 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.593 9.340 -7.590 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.389 8.487 -6.645 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.375 10.347 -5.357 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.708 8.808 -4.589 1.00 0.00 H new ATOM 0 HE ARG A 20 3.977 9.029 -5.037 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.360 11.693 -6.728 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.906 12.484 -7.053 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.818 10.065 -5.497 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.794 11.594 -6.381 1.00 0.00 H new ATOM 326 N THR A 21 0.654 4.137 -6.428 1.00 0.00 N ATOM 327 CA THR A 21 -0.464 3.201 -6.593 1.00 0.00 C ATOM 328 C THR A 21 -1.180 2.919 -5.259 1.00 0.00 C ATOM 329 O THR A 21 -0.763 3.412 -4.205 1.00 0.00 O ATOM 330 CB THR A 21 0.079 1.889 -7.188 1.00 0.00 C ATOM 331 OG1 THR A 21 0.943 1.260 -6.279 1.00 0.00 O ATOM 332 CG2 THR A 21 0.909 2.078 -8.456 1.00 0.00 C ATOM 0 H THR A 21 1.552 3.652 -6.428 1.00 0.00 H new ATOM 0 HA THR A 21 -1.198 3.650 -7.262 1.00 0.00 H new ATOM 0 HB THR A 21 -0.813 1.305 -7.414 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.417 0.764 -5.617 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.255 1.108 -8.813 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.297 2.550 -9.225 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.769 2.711 -8.237 1.00 0.00 H new ATOM 340 N ILE A 22 -2.259 2.124 -5.278 1.00 0.00 N ATOM 341 CA ILE A 22 -2.918 1.597 -4.074 1.00 0.00 C ATOM 342 C ILE A 22 -2.583 0.111 -3.961 1.00 0.00 C ATOM 343 O ILE A 22 -2.554 -0.603 -4.965 1.00 0.00 O ATOM 344 CB ILE A 22 -4.450 1.787 -4.167 1.00 0.00 C ATOM 345 CG1 ILE A 22 -4.899 3.229 -4.492 1.00 0.00 C ATOM 346 CG2 ILE A 22 -5.174 1.281 -2.905 1.00 0.00 C ATOM 347 CD1 ILE A 22 -4.486 4.278 -3.458 1.00 0.00 C ATOM 0 H ILE A 22 -2.706 1.824 -6.144 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.565 2.134 -3.194 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.743 1.173 -5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.488 3.513 -5.461 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.985 3.243 -4.590 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.247 1.435 -3.015 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.971 0.218 -2.771 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.816 1.831 -2.035 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.845 5.258 -3.771 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.919 4.025 -2.490 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.399 4.299 -3.375 1.00 0.00 H new ATOM 359 N PHE A 23 -2.360 -0.363 -2.742 1.00 0.00 N ATOM 360 CA PHE A 23 -2.255 -1.774 -2.381 1.00 0.00 C ATOM 361 C PHE A 23 -3.022 -2.048 -1.091 1.00 0.00 C ATOM 362 O PHE A 23 -3.471 -1.140 -0.394 1.00 0.00 O ATOM 363 CB PHE A 23 -0.800 -2.311 -2.368 1.00 0.00 C ATOM 364 CG PHE A 23 0.299 -1.269 -2.437 1.00 0.00 C ATOM 365 CD1 PHE A 23 0.553 -0.456 -1.331 1.00 0.00 C ATOM 366 CD2 PHE A 23 1.048 -1.090 -3.603 1.00 0.00 C ATOM 367 CE1 PHE A 23 1.464 0.613 -1.421 1.00 0.00 C ATOM 368 CE2 PHE A 23 1.994 -0.057 -3.695 1.00 0.00 C ATOM 369 CZ PHE A 23 2.188 0.812 -2.609 1.00 0.00 C ATOM 0 H PHE A 23 -2.242 0.254 -1.939 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.730 -2.350 -3.175 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.659 -2.897 -1.460 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.679 -2.993 -3.210 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.046 -0.649 -0.397 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.898 -1.753 -4.442 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.606 1.277 -0.581 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.571 0.069 -4.599 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.890 1.629 -2.686 1.00 0.00 H new ATOM 379 N GLU A 24 -3.213 -3.325 -0.793 1.00 0.00 N ATOM 380 CA GLU A 24 -3.823 -3.747 0.463 1.00 0.00 C ATOM 381 C GLU A 24 -2.760 -3.657 1.579 1.00 0.00 C ATOM 382 O GLU A 24 -1.641 -4.155 1.405 1.00 0.00 O ATOM 383 CB GLU A 24 -4.501 -5.117 0.273 1.00 0.00 C ATOM 384 CG GLU A 24 -4.712 -5.938 1.553 1.00 0.00 C ATOM 385 CD GLU A 24 -5.503 -5.157 2.606 1.00 0.00 C ATOM 386 OE1 GLU A 24 -6.479 -4.476 2.224 1.00 0.00 O ATOM 387 OE2 GLU A 24 -5.116 -5.184 3.794 1.00 0.00 O ATOM 0 H GLU A 24 -2.952 -4.095 -1.409 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.632 -3.089 0.780 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.470 -4.960 -0.200 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.900 -5.706 -0.420 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.241 -6.860 1.311 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.744 -6.225 1.964 1.00 0.00 H new ATOM 394 N LYS A 25 -3.087 -3.019 2.717 1.00 0.00 N ATOM 395 CA LYS A 25 -2.209 -2.779 3.875 1.00 0.00 C ATOM 396 C LYS A 25 -1.509 -4.066 4.288 1.00 0.00 C ATOM 397 O LYS A 25 -0.304 -4.062 4.546 1.00 0.00 O ATOM 398 CB LYS A 25 -3.045 -2.177 5.027 1.00 0.00 C ATOM 399 CG LYS A 25 -2.376 -2.153 6.413 1.00 0.00 C ATOM 400 CD LYS A 25 -1.107 -1.281 6.494 1.00 0.00 C ATOM 401 CE LYS A 25 0.022 -2.013 7.232 1.00 0.00 C ATOM 402 NZ LYS A 25 -0.257 -2.232 8.675 1.00 0.00 N ATOM 0 H LYS A 25 -4.022 -2.637 2.861 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.429 -2.066 3.609 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.312 -1.155 4.758 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.975 -2.740 5.105 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.098 -1.791 7.145 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.119 -3.174 6.697 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.778 -1.019 5.489 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.336 -0.348 7.008 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.193 -2.977 6.753 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.943 -1.439 7.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.487 -2.832 9.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.275 -1.316 9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.179 -2.701 8.783 1.00 0.00 H new ATOM 416 N SER A 26 -2.267 -5.161 4.306 1.00 0.00 N ATOM 417 CA SER A 26 -1.762 -6.476 4.686 1.00 0.00 C ATOM 418 C SER A 26 -0.619 -6.974 3.785 1.00 0.00 C ATOM 419 O SER A 26 0.393 -7.477 4.280 1.00 0.00 O ATOM 420 CB SER A 26 -2.914 -7.487 4.719 1.00 0.00 C ATOM 421 OG SER A 26 -2.485 -8.712 5.286 1.00 0.00 O ATOM 0 H SER A 26 -3.256 -5.159 4.055 1.00 0.00 H new ATOM 0 HA SER A 26 -1.333 -6.377 5.683 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.744 -7.082 5.299 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.285 -7.658 3.708 1.00 0.00 H new ATOM 0 HG SER A 26 -3.233 -9.345 5.301 1.00 0.00 H new ATOM 427 N LEU A 27 -0.739 -6.800 2.459 1.00 0.00 N ATOM 428 CA LEU A 27 0.242 -7.317 1.492 1.00 0.00 C ATOM 429 C LEU A 27 1.487 -6.433 1.451 1.00 0.00 C ATOM 430 O LEU A 27 2.602 -6.945 1.362 1.00 0.00 O ATOM 431 CB LEU A 27 -0.302 -7.437 0.053 1.00 0.00 C ATOM 432 CG LEU A 27 -1.813 -7.496 -0.183 1.00 0.00 C ATOM 433 CD1 LEU A 27 -2.073 -7.340 -1.675 1.00 0.00 C ATOM 434 CD2 LEU A 27 -2.473 -8.774 0.326 1.00 0.00 C ATOM 0 H LEU A 27 -1.516 -6.299 2.029 1.00 0.00 H new ATOM 0 HA LEU A 27 0.482 -8.319 1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.083 -6.589 -0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.132 -8.336 -0.385 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.260 -6.684 0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.146 -7.380 -1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.680 -6.382 -2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.580 -8.147 -2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.543 -8.738 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.036 -9.635 -0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.313 -8.863 1.400 1.00 0.00 H new ATOM 446 N LEU A 28 1.297 -5.108 1.511 1.00 0.00 N ATOM 447 CA LEU A 28 2.413 -4.165 1.498 1.00 0.00 C ATOM 448 C LEU A 28 3.292 -4.411 2.722 1.00 0.00 C ATOM 449 O LEU A 28 4.502 -4.543 2.579 1.00 0.00 O ATOM 450 CB LEU A 28 1.943 -2.709 1.454 1.00 0.00 C ATOM 451 CG LEU A 28 3.155 -1.751 1.323 1.00 0.00 C ATOM 452 CD1 LEU A 28 3.762 -1.762 -0.080 1.00 0.00 C ATOM 453 CD2 LEU A 28 2.705 -0.357 1.727 1.00 0.00 C ATOM 0 H LEU A 28 0.378 -4.669 1.569 1.00 0.00 H new ATOM 0 HA LEU A 28 2.989 -4.333 0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.265 -2.565 0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.382 -2.474 2.359 1.00 0.00 H new ATOM 0 HG LEU A 28 3.950 -2.092 1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.607 -1.074 -0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.103 -2.769 -0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.009 -1.451 -0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.543 0.335 1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.898 -0.031 1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.351 -0.373 2.758 1.00 0.00 H new ATOM 465 N GLU A 29 2.690 -4.509 3.915 1.00 0.00 N ATOM 466 CA GLU A 29 3.455 -4.765 5.140 1.00 0.00 C ATOM 467 C GLU A 29 4.244 -6.074 5.033 1.00 0.00 C ATOM 468 O GLU A 29 5.420 -6.102 5.382 1.00 0.00 O ATOM 469 CB GLU A 29 2.545 -4.779 6.377 1.00 0.00 C ATOM 470 CG GLU A 29 3.364 -4.620 7.669 1.00 0.00 C ATOM 471 CD GLU A 29 2.541 -4.964 8.920 1.00 0.00 C ATOM 472 OE1 GLU A 29 1.653 -4.164 9.300 1.00 0.00 O ATOM 473 OE2 GLU A 29 2.802 -6.031 9.531 1.00 0.00 O ATOM 0 H GLU A 29 1.684 -4.416 4.056 1.00 0.00 H new ATOM 0 HA GLU A 29 4.166 -3.947 5.258 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.815 -3.973 6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.986 -5.714 6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.241 -5.266 7.624 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.726 -3.595 7.744 1.00 0.00 H new ATOM 480 N GLN A 30 3.639 -7.135 4.485 1.00 0.00 N ATOM 481 CA GLN A 30 4.328 -8.410 4.250 1.00 0.00 C ATOM 482 C GLN A 30 5.556 -8.240 3.339 1.00 0.00 C ATOM 483 O GLN A 30 6.659 -8.672 3.670 1.00 0.00 O ATOM 484 CB GLN A 30 3.333 -9.419 3.659 1.00 0.00 C ATOM 485 CG GLN A 30 3.857 -10.858 3.736 1.00 0.00 C ATOM 486 CD GLN A 30 2.812 -11.867 3.264 1.00 0.00 C ATOM 487 OE1 GLN A 30 2.192 -12.577 4.047 1.00 0.00 O ATOM 488 NE2 GLN A 30 2.569 -11.975 1.973 1.00 0.00 N ATOM 0 H GLN A 30 2.662 -7.134 4.193 1.00 0.00 H new ATOM 0 HA GLN A 30 4.700 -8.785 5.203 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.386 -9.349 4.194 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.131 -9.162 2.619 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.755 -10.951 3.125 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.145 -11.086 4.762 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.076 -11.391 1.308 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.874 -12.642 1.639 1.00 0.00 H new ATOM 497 N TYR A 31 5.372 -7.563 2.206 1.00 0.00 N ATOM 498 CA TYR A 31 6.408 -7.334 1.192 1.00 0.00 C ATOM 499 C TYR A 31 7.561 -6.474 1.735 1.00 0.00 C ATOM 500 O TYR A 31 8.739 -6.690 1.430 1.00 0.00 O ATOM 501 CB TYR A 31 5.735 -6.672 -0.020 1.00 0.00 C ATOM 502 CG TYR A 31 6.621 -6.477 -1.234 1.00 0.00 C ATOM 503 CD1 TYR A 31 7.145 -7.594 -1.909 1.00 0.00 C ATOM 504 CD2 TYR A 31 6.896 -5.186 -1.715 1.00 0.00 C ATOM 505 CE1 TYR A 31 7.898 -7.428 -3.089 1.00 0.00 C ATOM 506 CE2 TYR A 31 7.702 -5.025 -2.858 1.00 0.00 C ATOM 507 CZ TYR A 31 8.193 -6.136 -3.561 1.00 0.00 C ATOM 508 OH TYR A 31 8.944 -5.952 -4.682 1.00 0.00 O ATOM 0 H TYR A 31 4.475 -7.146 1.959 1.00 0.00 H new ATOM 0 HA TYR A 31 6.857 -8.284 0.901 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.877 -7.277 -0.312 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.350 -5.700 0.287 1.00 0.00 H new ATOM 0 HD1 TYR A 31 6.969 -8.586 -1.520 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.491 -4.321 -1.210 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.249 -8.294 -3.631 1.00 0.00 H new ATOM 0 HE2 TYR A 31 7.947 -4.030 -3.200 1.00 0.00 H new ATOM 0 HH TYR A 31 9.043 -4.993 -4.856 1.00 0.00 H new ATOM 518 N VAL A 32 7.218 -5.522 2.602 1.00 0.00 N ATOM 519 CA VAL A 32 8.130 -4.501 3.127 1.00 0.00 C ATOM 520 C VAL A 32 8.762 -4.923 4.478 1.00 0.00 C ATOM 521 O VAL A 32 9.774 -4.379 4.914 1.00 0.00 O ATOM 522 CB VAL A 32 7.399 -3.142 3.113 1.00 0.00 C ATOM 523 CG1 VAL A 32 8.040 -1.984 3.880 1.00 0.00 C ATOM 524 CG2 VAL A 32 7.110 -2.726 1.664 1.00 0.00 C ATOM 0 H VAL A 32 6.271 -5.436 2.970 1.00 0.00 H new ATOM 0 HA VAL A 32 9.004 -4.389 2.486 1.00 0.00 H new ATOM 0 HB VAL A 32 6.485 -3.333 3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.418 -1.094 3.782 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.129 -2.250 4.933 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.030 -1.781 3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.594 -1.766 1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.049 -2.637 1.117 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.482 -3.479 1.188 1.00 0.00 H new ATOM 534 N LYS A 33 8.235 -5.961 5.128 1.00 0.00 N ATOM 535 CA LYS A 33 8.875 -6.632 6.280 1.00 0.00 C ATOM 536 C LYS A 33 9.753 -7.804 5.799 1.00 0.00 C ATOM 537 O LYS A 33 10.592 -8.303 6.547 1.00 0.00 O ATOM 538 CB LYS A 33 7.854 -6.975 7.385 1.00 0.00 C ATOM 539 CG LYS A 33 7.056 -8.272 7.184 1.00 0.00 C ATOM 540 CD LYS A 33 5.733 -8.305 7.969 1.00 0.00 C ATOM 541 CE LYS A 33 5.916 -8.114 9.481 1.00 0.00 C ATOM 542 NZ LYS A 33 4.610 -8.103 10.190 1.00 0.00 N ATOM 0 H LYS A 33 7.337 -6.372 4.872 1.00 0.00 H new ATOM 0 HA LYS A 33 9.561 -5.941 6.770 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.385 -7.042 8.335 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.149 -6.148 7.471 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.843 -8.398 6.122 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.671 -9.119 7.488 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.074 -7.524 7.589 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.236 -9.258 7.788 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.540 -8.915 9.877 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.442 -7.178 9.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.772 -8.023 11.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.045 -7.293 9.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.098 -8.985 9.988 1.00 0.00 H new ATOM 556 N ASP A 34 9.603 -8.194 4.527 1.00 0.00 N ATOM 557 CA ASP A 34 10.462 -9.125 3.781 1.00 0.00 C ATOM 558 C ASP A 34 11.768 -8.439 3.342 1.00 0.00 C ATOM 559 O ASP A 34 12.854 -8.800 3.802 1.00 0.00 O ATOM 560 CB ASP A 34 9.716 -9.653 2.538 1.00 0.00 C ATOM 561 CG ASP A 34 9.463 -11.170 2.609 1.00 0.00 C ATOM 562 OD1 ASP A 34 10.452 -11.939 2.686 1.00 0.00 O ATOM 563 OD2 ASP A 34 8.287 -11.603 2.564 1.00 0.00 O ATOM 0 H ASP A 34 8.832 -7.848 3.956 1.00 0.00 H new ATOM 0 HA ASP A 34 10.710 -9.957 4.440 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.763 -9.132 2.440 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.297 -9.425 1.644 1.00 0.00 H new ATOM 568 N THR A 35 11.657 -7.443 2.451 1.00 0.00 N ATOM 569 CA THR A 35 12.791 -6.703 1.859 1.00 0.00 C ATOM 570 C THR A 35 12.679 -5.190 2.010 1.00 0.00 C ATOM 571 O THR A 35 13.673 -4.477 1.833 1.00 0.00 O ATOM 572 CB THR A 35 13.011 -7.041 0.376 1.00 0.00 C ATOM 573 OG1 THR A 35 11.975 -6.512 -0.429 1.00 0.00 O ATOM 574 CG2 THR A 35 13.131 -8.538 0.085 1.00 0.00 C ATOM 0 H THR A 35 10.752 -7.118 2.110 1.00 0.00 H new ATOM 0 HA THR A 35 13.654 -7.039 2.434 1.00 0.00 H new ATOM 0 HB THR A 35 13.967 -6.579 0.129 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.952 -6.987 -1.286 1.00 0.00 H new ATOM 0 HG21 THR A 35 13.285 -8.690 -0.983 1.00 0.00 H new ATOM 0 HG22 THR A 35 13.977 -8.949 0.635 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.217 -9.043 0.396 1.00 0.00 H new ATOM 582 N GLY A 36 11.495 -4.674 2.351 1.00 0.00 N ATOM 583 CA GLY A 36 11.249 -3.245 2.528 1.00 0.00 C ATOM 584 C GLY A 36 10.937 -2.509 1.231 1.00 0.00 C ATOM 585 O GLY A 36 10.375 -1.421 1.277 1.00 0.00 O ATOM 0 H GLY A 36 10.669 -5.249 2.514 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.417 -3.112 3.219 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.124 -2.790 2.991 1.00 0.00 H new ATOM 589 N ASN A 37 11.256 -3.072 0.073 1.00 0.00 N ATOM 590 CA ASN A 37 11.162 -2.333 -1.183 1.00 0.00 C ATOM 591 C ASN A 37 9.706 -2.013 -1.580 1.00 0.00 C ATOM 592 O ASN A 37 8.796 -2.781 -1.280 1.00 0.00 O ATOM 593 CB ASN A 37 11.878 -3.169 -2.252 1.00 0.00 C ATOM 594 CG ASN A 37 13.356 -3.351 -1.951 1.00 0.00 C ATOM 595 OD1 ASN A 37 14.132 -2.406 -1.908 1.00 0.00 O ATOM 596 ND2 ASN A 37 13.798 -4.565 -1.726 1.00 0.00 N ATOM 0 H ASN A 37 11.581 -4.034 -0.025 1.00 0.00 H new ATOM 0 HA ASN A 37 11.639 -1.359 -1.074 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.402 -4.147 -2.324 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.764 -2.687 -3.223 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.784 -4.718 -1.516 1.00 0.00 H new ATOM 0 HD22 ASN A 37 13.155 -5.356 -1.761 1.00 0.00 H new ATOM 603 N ASP A 38 9.472 -0.894 -2.271 1.00 0.00 N ATOM 604 CA ASP A 38 8.173 -0.602 -2.900 1.00 0.00 C ATOM 605 C ASP A 38 7.918 -1.572 -4.081 1.00 0.00 C ATOM 606 O ASP A 38 8.848 -1.875 -4.833 1.00 0.00 O ATOM 607 CB ASP A 38 8.116 0.849 -3.413 1.00 0.00 C ATOM 608 CG ASP A 38 7.109 1.701 -2.626 1.00 0.00 C ATOM 609 OD1 ASP A 38 7.272 1.908 -1.402 1.00 0.00 O ATOM 610 OD2 ASP A 38 6.138 2.170 -3.259 1.00 0.00 O ATOM 0 H ASP A 38 10.172 -0.165 -2.412 1.00 0.00 H new ATOM 0 HA ASP A 38 7.401 -0.736 -2.142 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.106 1.298 -3.339 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.844 0.849 -4.468 1.00 0.00 H new ATOM 615 N PRO A 39 6.680 -2.043 -4.317 1.00 0.00 N ATOM 616 CA PRO A 39 6.388 -3.077 -5.323 1.00 0.00 C ATOM 617 C PRO A 39 6.524 -2.612 -6.790 1.00 0.00 C ATOM 618 O PRO A 39 6.397 -3.440 -7.693 1.00 0.00 O ATOM 619 CB PRO A 39 4.968 -3.546 -4.998 1.00 0.00 C ATOM 620 CG PRO A 39 4.330 -2.318 -4.360 1.00 0.00 C ATOM 621 CD PRO A 39 5.478 -1.702 -3.570 1.00 0.00 C ATOM 0 HA PRO A 39 7.125 -3.878 -5.261 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.432 -3.858 -5.895 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.972 -4.397 -4.317 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.942 -1.629 -5.111 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.495 -2.588 -3.713 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.361 -0.622 -3.483 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.518 -2.101 -2.556 1.00 0.00 H new ATOM 629 N ILE A 40 6.775 -1.318 -7.051 1.00 0.00 N ATOM 630 CA ILE A 40 6.861 -0.733 -8.408 1.00 0.00 C ATOM 631 C ILE A 40 8.254 -0.151 -8.655 1.00 0.00 C ATOM 632 O ILE A 40 8.897 -0.480 -9.655 1.00 0.00 O ATOM 633 CB ILE A 40 5.764 0.336 -8.641 1.00 0.00 C ATOM 634 CG1 ILE A 40 4.326 -0.195 -8.439 1.00 0.00 C ATOM 635 CG2 ILE A 40 5.893 0.995 -10.026 1.00 0.00 C ATOM 636 CD1 ILE A 40 3.900 -1.318 -9.393 1.00 0.00 C ATOM 0 H ILE A 40 6.928 -0.632 -6.312 1.00 0.00 H new ATOM 0 HA ILE A 40 6.689 -1.535 -9.126 1.00 0.00 H new ATOM 0 HB ILE A 40 5.936 1.089 -7.872 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.230 -0.555 -7.415 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.631 0.637 -8.550 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.105 1.738 -10.150 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.866 1.480 -10.109 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.799 0.234 -10.801 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.877 -1.618 -9.168 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.956 -0.962 -10.422 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.565 -2.173 -9.268 1.00 0.00 H new ATOM 648 N THR A 41 8.736 0.712 -7.753 1.00 0.00 N ATOM 649 CA THR A 41 10.038 1.393 -7.906 1.00 0.00 C ATOM 650 C THR A 41 11.204 0.615 -7.296 1.00 0.00 C ATOM 651 O THR A 41 12.363 0.939 -7.562 1.00 0.00 O ATOM 652 CB THR A 41 10.035 2.794 -7.293 1.00 0.00 C ATOM 653 OG1 THR A 41 9.662 2.677 -5.950 1.00 0.00 O ATOM 654 CG2 THR A 41 9.044 3.739 -7.972 1.00 0.00 C ATOM 0 H THR A 41 8.240 0.961 -6.897 1.00 0.00 H new ATOM 0 HA THR A 41 10.182 1.457 -8.985 1.00 0.00 H new ATOM 0 HB THR A 41 11.034 3.211 -7.419 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.688 2.753 -5.873 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.088 4.717 -7.493 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.301 3.839 -9.027 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.036 3.335 -7.881 1.00 0.00 H new ATOM 662 N ASN A 42 10.911 -0.406 -6.477 1.00 0.00 N ATOM 663 CA ASN A 42 11.831 -1.138 -5.619 1.00 0.00 C ATOM 664 C ASN A 42 12.791 -0.249 -4.809 1.00 0.00 C ATOM 665 O ASN A 42 13.908 -0.653 -4.485 1.00 0.00 O ATOM 666 CB ASN A 42 12.419 -2.341 -6.370 1.00 0.00 C ATOM 667 CG ASN A 42 13.453 -2.017 -7.441 1.00 0.00 C ATOM 668 OD1 ASN A 42 13.225 -2.196 -8.633 1.00 0.00 O ATOM 669 ND2 ASN A 42 14.632 -1.582 -7.065 1.00 0.00 N ATOM 0 H ASN A 42 9.958 -0.760 -6.397 1.00 0.00 H new ATOM 0 HA ASN A 42 11.272 -1.581 -4.795 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.876 -3.011 -5.642 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.600 -2.889 -6.837 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.353 -1.395 -7.762 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.828 -1.431 -6.075 1.00 0.00 H new ATOM 676 N GLU A 43 12.337 0.956 -4.450 1.00 0.00 N ATOM 677 CA GLU A 43 13.059 1.812 -3.500 1.00 0.00 C ATOM 678 C GLU A 43 12.874 1.281 -2.064 1.00 0.00 C ATOM 679 O GLU A 43 11.748 0.920 -1.703 1.00 0.00 O ATOM 680 CB GLU A 43 12.578 3.263 -3.595 1.00 0.00 C ATOM 681 CG GLU A 43 12.889 3.903 -4.958 1.00 0.00 C ATOM 682 CD GLU A 43 13.670 5.222 -4.802 1.00 0.00 C ATOM 683 OE1 GLU A 43 13.040 6.293 -4.622 1.00 0.00 O ATOM 684 OE2 GLU A 43 14.924 5.195 -4.853 1.00 0.00 O ATOM 0 H GLU A 43 11.471 1.362 -4.803 1.00 0.00 H new ATOM 0 HA GLU A 43 14.119 1.789 -3.754 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.503 3.297 -3.419 1.00 0.00 H new ATOM 0 HB3 GLU A 43 13.049 3.850 -2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.468 3.206 -5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.958 4.092 -5.492 1.00 0.00 H new ATOM 691 N PRO A 44 13.935 1.209 -1.234 1.00 0.00 N ATOM 692 CA PRO A 44 13.893 0.531 0.063 1.00 0.00 C ATOM 693 C PRO A 44 13.036 1.272 1.102 1.00 0.00 C ATOM 694 O PRO A 44 13.091 2.499 1.210 1.00 0.00 O ATOM 695 CB PRO A 44 15.353 0.409 0.511 1.00 0.00 C ATOM 696 CG PRO A 44 16.041 1.579 -0.190 1.00 0.00 C ATOM 697 CD PRO A 44 15.285 1.676 -1.514 1.00 0.00 C ATOM 0 HA PRO A 44 13.415 -0.444 -0.030 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.447 0.479 1.595 1.00 0.00 H new ATOM 0 HB3 PRO A 44 15.785 -0.547 0.214 1.00 0.00 H new ATOM 0 HG2 PRO A 44 15.962 2.499 0.389 1.00 0.00 H new ATOM 0 HG3 PRO A 44 17.103 1.389 -0.344 1.00 0.00 H new ATOM 0 HD2 PRO A 44 15.275 2.701 -1.885 1.00 0.00 H new ATOM 0 HD3 PRO A 44 15.759 1.064 -2.281 1.00 0.00 H new ATOM 705 N LEU A 45 12.295 0.491 1.894 1.00 0.00 N ATOM 706 CA LEU A 45 11.268 0.867 2.880 1.00 0.00 C ATOM 707 C LEU A 45 10.017 1.531 2.268 1.00 0.00 C ATOM 708 O LEU A 45 10.068 2.215 1.244 1.00 0.00 O ATOM 709 CB LEU A 45 11.874 1.624 4.081 1.00 0.00 C ATOM 710 CG LEU A 45 12.711 0.701 4.989 1.00 0.00 C ATOM 711 CD1 LEU A 45 13.638 1.535 5.872 1.00 0.00 C ATOM 712 CD2 LEU A 45 11.828 -0.153 5.908 1.00 0.00 C ATOM 0 H LEU A 45 12.408 -0.522 1.860 1.00 0.00 H new ATOM 0 HA LEU A 45 10.876 -0.066 3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.501 2.438 3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.073 2.076 4.665 1.00 0.00 H new ATOM 0 HG LEU A 45 13.282 0.045 4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.225 0.874 6.510 1.00 0.00 H new ATOM 0 HD12 LEU A 45 14.308 2.122 5.244 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.043 2.205 6.493 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.458 -0.788 6.530 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.228 0.498 6.544 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.169 -0.776 5.303 1.00 0.00 H new ATOM 724 N SER A 46 8.875 1.307 2.928 1.00 0.00 N ATOM 725 CA SER A 46 7.527 1.702 2.494 1.00 0.00 C ATOM 726 C SER A 46 6.658 2.145 3.670 1.00 0.00 C ATOM 727 O SER A 46 6.142 3.258 3.701 1.00 0.00 O ATOM 728 CB SER A 46 6.850 0.580 1.714 1.00 0.00 C ATOM 729 OG SER A 46 5.961 1.100 0.757 1.00 0.00 O ATOM 0 H SER A 46 8.864 0.821 3.825 1.00 0.00 H new ATOM 0 HA SER A 46 7.642 2.559 1.830 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.605 -0.032 1.220 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.311 -0.072 2.401 1.00 0.00 H new ATOM 0 HG SER A 46 6.463 1.606 0.085 1.00 0.00 H new ATOM 735 N ILE A 47 6.544 1.286 4.686 1.00 0.00 N ATOM 736 CA ILE A 47 5.770 1.481 5.911 1.00 0.00 C ATOM 737 C ILE A 47 6.213 2.673 6.770 1.00 0.00 C ATOM 738 O ILE A 47 5.386 3.360 7.367 1.00 0.00 O ATOM 739 CB ILE A 47 5.725 0.145 6.697 1.00 0.00 C ATOM 740 CG1 ILE A 47 4.630 0.089 7.779 1.00 0.00 C ATOM 741 CG2 ILE A 47 7.085 -0.203 7.328 1.00 0.00 C ATOM 742 CD1 ILE A 47 3.220 0.060 7.180 1.00 0.00 C ATOM 0 H ILE A 47 7.018 0.383 4.673 1.00 0.00 H new ATOM 0 HA ILE A 47 4.758 1.761 5.618 1.00 0.00 H new ATOM 0 HB ILE A 47 5.474 -0.601 5.943 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.778 -0.797 8.397 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.726 0.954 8.435 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.005 -1.146 7.868 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.837 -0.296 6.544 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.378 0.587 8.019 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.484 0.021 7.983 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.059 0.959 6.584 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.112 -0.820 6.546 1.00 0.00 H new ATOM 754 N GLU A 48 7.502 2.999 6.735 1.00 0.00 N ATOM 755 CA GLU A 48 8.089 4.199 7.338 1.00 0.00 C ATOM 756 C GLU A 48 7.635 5.486 6.622 1.00 0.00 C ATOM 757 O GLU A 48 7.871 6.592 7.113 1.00 0.00 O ATOM 758 CB GLU A 48 9.626 4.090 7.309 1.00 0.00 C ATOM 759 CG GLU A 48 10.186 2.967 8.195 1.00 0.00 C ATOM 760 CD GLU A 48 9.950 3.244 9.695 1.00 0.00 C ATOM 761 OE1 GLU A 48 10.709 4.045 10.292 1.00 0.00 O ATOM 762 OE2 GLU A 48 9.008 2.665 10.288 1.00 0.00 O ATOM 0 H GLU A 48 8.196 2.414 6.269 1.00 0.00 H new ATOM 0 HA GLU A 48 7.741 4.262 8.369 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.950 3.925 6.281 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.054 5.040 7.629 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.717 2.022 7.922 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.255 2.858 8.010 1.00 0.00 H new ATOM 769 N GLU A 49 6.959 5.346 5.476 1.00 0.00 N ATOM 770 CA GLU A 49 6.462 6.443 4.628 1.00 0.00 C ATOM 771 C GLU A 49 4.981 6.266 4.244 1.00 0.00 C ATOM 772 O GLU A 49 4.468 6.952 3.355 1.00 0.00 O ATOM 773 CB GLU A 49 7.374 6.591 3.395 1.00 0.00 C ATOM 774 CG GLU A 49 8.764 7.115 3.773 1.00 0.00 C ATOM 775 CD GLU A 49 9.646 7.285 2.528 1.00 0.00 C ATOM 776 OE1 GLU A 49 9.636 8.377 1.906 1.00 0.00 O ATOM 777 OE2 GLU A 49 10.365 6.322 2.169 1.00 0.00 O ATOM 0 H GLU A 49 6.732 4.427 5.095 1.00 0.00 H new ATOM 0 HA GLU A 49 6.501 7.369 5.202 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.472 5.626 2.898 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.911 7.272 2.680 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.668 8.071 4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.240 6.424 4.469 1.00 0.00 H new ATOM 784 N ILE A 50 4.286 5.339 4.914 1.00 0.00 N ATOM 785 CA ILE A 50 2.923 4.908 4.601 1.00 0.00 C ATOM 786 C ILE A 50 1.889 6.045 4.602 1.00 0.00 C ATOM 787 O ILE A 50 1.903 6.953 5.438 1.00 0.00 O ATOM 788 CB ILE A 50 2.527 3.761 5.555 1.00 0.00 C ATOM 789 CG1 ILE A 50 1.367 2.901 5.023 1.00 0.00 C ATOM 790 CG2 ILE A 50 2.205 4.226 6.984 1.00 0.00 C ATOM 791 CD1 ILE A 50 1.795 2.078 3.805 1.00 0.00 C ATOM 0 H ILE A 50 4.675 4.851 5.721 1.00 0.00 H new ATOM 0 HA ILE A 50 2.920 4.548 3.572 1.00 0.00 H new ATOM 0 HB ILE A 50 3.424 3.143 5.598 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.016 2.233 5.810 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.529 3.544 4.753 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.936 3.364 7.595 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.079 4.716 7.413 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.371 4.928 6.959 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.952 1.482 3.454 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.122 2.748 3.010 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.616 1.417 4.083 1.00 0.00 H new ATOM 803 N VAL A 51 0.971 5.950 3.645 1.00 0.00 N ATOM 804 CA VAL A 51 -0.240 6.774 3.495 1.00 0.00 C ATOM 805 C VAL A 51 -1.482 5.873 3.472 1.00 0.00 C ATOM 806 O VAL A 51 -1.856 5.342 2.428 1.00 0.00 O ATOM 807 CB VAL A 51 -0.153 7.676 2.244 1.00 0.00 C ATOM 808 CG1 VAL A 51 -1.337 8.649 2.181 1.00 0.00 C ATOM 809 CG2 VAL A 51 1.133 8.516 2.212 1.00 0.00 C ATOM 0 H VAL A 51 1.051 5.254 2.903 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.322 7.442 4.353 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.163 6.996 1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.250 9.271 1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.269 8.086 2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.335 9.283 3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.143 9.131 1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.170 9.159 3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.000 7.855 2.209 1.00 0.00 H new ATOM 819 N GLU A 52 -2.109 5.633 4.624 1.00 0.00 N ATOM 820 CA GLU A 52 -3.299 4.774 4.720 1.00 0.00 C ATOM 821 C GLU A 52 -4.578 5.496 4.259 1.00 0.00 C ATOM 822 O GLU A 52 -4.913 6.578 4.751 1.00 0.00 O ATOM 823 CB GLU A 52 -3.484 4.151 6.121 1.00 0.00 C ATOM 824 CG GLU A 52 -2.200 3.811 6.901 1.00 0.00 C ATOM 825 CD GLU A 52 -1.755 4.975 7.814 1.00 0.00 C ATOM 826 OE1 GLU A 52 -1.312 6.029 7.299 1.00 0.00 O ATOM 827 OE2 GLU A 52 -1.854 4.842 9.059 1.00 0.00 O ATOM 0 H GLU A 52 -1.811 6.025 5.517 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.119 3.949 4.031 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.076 4.839 6.724 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.069 3.237 6.013 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.368 2.919 7.505 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.401 3.574 6.199 1.00 0.00 H new ATOM 834 N ILE A 53 -5.307 4.892 3.313 1.00 0.00 N ATOM 835 CA ILE A 53 -6.524 5.440 2.694 1.00 0.00 C ATOM 836 C ILE A 53 -7.754 4.855 3.415 1.00 0.00 C ATOM 837 O ILE A 53 -8.595 4.179 2.824 1.00 0.00 O ATOM 838 CB ILE A 53 -6.511 5.195 1.160 1.00 0.00 C ATOM 839 CG1 ILE A 53 -5.147 5.482 0.479 1.00 0.00 C ATOM 840 CG2 ILE A 53 -7.606 6.022 0.458 1.00 0.00 C ATOM 841 CD1 ILE A 53 -4.594 6.905 0.658 1.00 0.00 C ATOM 0 H ILE A 53 -5.058 3.975 2.943 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.569 6.523 2.812 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.706 4.128 1.047 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.413 4.776 0.868 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.246 5.283 -0.588 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.574 5.831 -0.615 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.583 5.738 0.848 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.436 7.083 0.643 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.638 6.992 0.141 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.299 7.624 0.241 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.452 7.109 1.719 1.00 0.00 H new ATOM 853 N VAL A 54 -7.816 5.075 4.733 1.00 0.00 N ATOM 854 CA VAL A 54 -8.762 4.457 5.685 1.00 0.00 C ATOM 855 C VAL A 54 -10.231 4.622 5.234 1.00 0.00 C ATOM 856 O VAL A 54 -10.725 5.755 5.221 1.00 0.00 O ATOM 857 CB VAL A 54 -8.556 5.014 7.114 1.00 0.00 C ATOM 858 CG1 VAL A 54 -9.439 4.279 8.131 1.00 0.00 C ATOM 859 CG2 VAL A 54 -7.101 4.859 7.582 1.00 0.00 C ATOM 0 H VAL A 54 -7.176 5.722 5.194 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.548 3.388 5.700 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.824 6.069 7.065 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.271 4.693 9.125 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.487 4.402 7.859 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.187 3.219 8.133 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.998 5.262 8.590 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.830 3.803 7.584 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.441 5.402 6.905 1.00 0.00 H new ATOM 869 N PRO A 55 -10.949 3.537 4.856 1.00 0.00 N ATOM 870 CA PRO A 55 -12.337 3.601 4.372 1.00 0.00 C ATOM 871 C PRO A 55 -13.346 4.278 5.319 1.00 0.00 C ATOM 872 O PRO A 55 -14.322 4.875 4.858 1.00 0.00 O ATOM 873 CB PRO A 55 -12.749 2.146 4.117 1.00 0.00 C ATOM 874 CG PRO A 55 -11.429 1.450 3.808 1.00 0.00 C ATOM 875 CD PRO A 55 -10.447 2.171 4.727 1.00 0.00 C ATOM 0 HA PRO A 55 -12.360 4.233 3.484 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -13.239 1.709 4.987 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -13.449 2.067 3.285 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -11.474 0.382 4.022 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -11.152 1.553 2.759 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.391 1.682 5.700 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.441 2.162 4.307 1.00 0.00 H new ATOM 883 N SER A 56 -13.123 4.203 6.635 1.00 0.00 N ATOM 884 CA SER A 56 -13.984 4.760 7.692 1.00 0.00 C ATOM 885 C SER A 56 -14.222 6.266 7.527 1.00 0.00 C ATOM 886 O SER A 56 -15.164 6.827 8.102 1.00 0.00 O ATOM 887 CB SER A 56 -13.373 4.484 9.072 1.00 0.00 C ATOM 888 OG SER A 56 -13.071 3.103 9.230 1.00 0.00 O ATOM 0 H SER A 56 -12.301 3.732 7.013 1.00 0.00 H new ATOM 0 HA SER A 56 -14.951 4.265 7.605 1.00 0.00 H new ATOM 0 HB2 SER A 56 -12.465 5.075 9.196 1.00 0.00 H new ATOM 0 HB3 SER A 56 -14.068 4.799 9.851 1.00 0.00 H new ATOM 0 HG SER A 56 -12.681 2.953 10.117 1.00 0.00 H new TER 894 SER A 56