USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 409 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 THR OG1 : rot 163:sc= 0.286 USER MOD Set 1.2: A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 GLN :FLIP amide:sc= -0.0112 F(o=-1.1,f=-0.011) USER MOD Single : A 3 TYR OH : rot -30:sc= -3.39! USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.439 K(o=-0.44,f=-3.3!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -162:sc= -10.5! (180deg=-11.1!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 140:sc= 0 USER MOD Single : A 25 THR OG1 : rot -71:sc= -4.1! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= -0.304 (180deg=-0.304) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.0207 F(o=-1.7!,f=-0.021) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -1.85! C(o=-1.9!,f=-3.8!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0429 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.348 USER MOD Single : A 49 THR OG1 : rot -124:sc= -1.07! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -3.47! USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.523 USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 0.017 27.417 22.607 1.00 1.00 N ATOM 21 CA GLN A 2 -0.483 26.294 21.796 1.00 1.00 C ATOM 22 C GLN A 2 0.476 25.863 20.692 1.00 1.00 C ATOM 23 O GLN A 2 1.072 26.675 19.983 1.00 1.00 O ATOM 24 CB GLN A 2 -1.854 26.627 21.196 1.00 1.00 C ATOM 25 CG GLN A 2 -1.741 27.786 20.206 1.00 1.00 C ATOM 26 CD GLN A 2 -3.114 28.070 19.604 1.00 1.00 C ATOM 27 OE1 GLN A 2 -3.992 27.101 19.506 1.00 1.00 O flip ATOM 28 NE2 GLN A 2 -3.400 29.202 19.215 1.00 1.00 N flip ATOM 0 HA GLN A 2 -0.573 25.450 22.480 1.00 1.00 H new ATOM 0 HB2 GLN A 2 -2.259 25.750 20.692 1.00 1.00 H new ATOM 0 HB3 GLN A 2 -2.552 26.888 21.992 1.00 1.00 H new ATOM 0 HG2 GLN A 2 -1.361 28.675 20.710 1.00 1.00 H new ATOM 0 HG3 GLN A 2 -1.030 27.538 19.418 1.00 1.00 H new ATOM 0 HE21 GLN A 2 -2.717 29.955 19.291 1.00 1.00 H new ATOM 0 HE22 GLN A 2 -4.320 29.387 18.816 1.00 1.00 H new ATOM 37 N TYR A 3 0.567 24.538 20.567 1.00 1.00 N ATOM 38 CA TYR A 3 1.400 23.882 19.557 1.00 1.00 C ATOM 39 C TYR A 3 0.500 23.096 18.620 1.00 1.00 C ATOM 40 O TYR A 3 -0.666 22.829 18.934 1.00 1.00 O ATOM 41 CB TYR A 3 2.439 22.935 20.198 1.00 1.00 C ATOM 42 CG TYR A 3 2.727 23.376 21.606 1.00 1.00 C ATOM 43 CD1 TYR A 3 1.720 23.278 22.569 1.00 1.00 C ATOM 44 CD2 TYR A 3 3.987 23.878 21.952 1.00 1.00 C ATOM 45 CE1 TYR A 3 1.966 23.684 23.874 1.00 1.00 C ATOM 46 CE2 TYR A 3 4.231 24.284 23.266 1.00 1.00 C ATOM 47 CZ TYR A 3 3.216 24.187 24.223 1.00 1.00 C ATOM 48 OH TYR A 3 3.449 24.589 25.520 1.00 1.00 O ATOM 0 H TYR A 3 0.062 23.886 21.167 1.00 1.00 H new ATOM 0 HA TYR A 3 1.949 24.648 19.010 1.00 1.00 H new ATOM 0 HB2 TYR A 3 2.062 21.912 20.197 1.00 1.00 H new ATOM 0 HB3 TYR A 3 3.358 22.937 19.611 1.00 1.00 H new ATOM 0 HD1 TYR A 3 0.750 22.887 22.299 1.00 1.00 H new ATOM 0 HD2 TYR A 3 4.766 23.951 21.207 1.00 1.00 H new ATOM 0 HE1 TYR A 3 1.187 23.609 24.618 1.00 1.00 H new ATOM 0 HE2 TYR A 3 5.201 24.672 23.542 1.00 1.00 H new ATOM 0 HH TYR A 3 2.613 24.912 25.917 1.00 1.00 H new ATOM 58 N LYS A 4 1.042 22.730 17.466 1.00 1.00 N ATOM 59 CA LYS A 4 0.285 21.978 16.463 1.00 1.00 C ATOM 60 C LYS A 4 1.087 20.751 16.047 1.00 1.00 C ATOM 61 O LYS A 4 2.310 20.782 15.992 1.00 1.00 O ATOM 62 CB LYS A 4 0.031 22.905 15.260 1.00 1.00 C ATOM 63 CG LYS A 4 -0.689 22.176 14.119 1.00 1.00 C ATOM 64 CD LYS A 4 -0.933 23.169 12.969 1.00 1.00 C ATOM 65 CE LYS A 4 -1.646 22.465 11.816 1.00 1.00 C ATOM 66 NZ LYS A 4 -1.906 23.439 10.716 1.00 1.00 N ATOM 0 H LYS A 4 2.003 22.940 17.197 1.00 1.00 H new ATOM 0 HA LYS A 4 -0.670 21.640 16.865 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -0.566 23.759 15.579 1.00 1.00 H new ATOM 0 HB3 LYS A 4 0.981 23.298 14.898 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -0.089 21.336 13.770 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -1.636 21.767 14.471 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -1.534 24.007 13.322 1.00 1.00 H new ATOM 0 HD3 LYS A 4 0.016 23.580 12.624 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -1.036 21.640 11.448 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -2.585 22.036 12.164 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -2.391 22.957 9.933 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -2.505 24.212 11.071 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -1.003 23.828 10.377 1.00 1.00 H new ATOM 80 N LEU A 5 0.386 19.657 15.787 1.00 1.00 N ATOM 81 CA LEU A 5 1.028 18.404 15.411 1.00 1.00 C ATOM 82 C LEU A 5 0.780 18.131 13.930 1.00 1.00 C ATOM 83 O LEU A 5 -0.357 18.197 13.468 1.00 1.00 O ATOM 84 CB LEU A 5 0.407 17.269 16.252 1.00 1.00 C ATOM 85 CG LEU A 5 1.324 16.015 16.383 1.00 1.00 C ATOM 86 CD1 LEU A 5 0.466 14.781 16.727 1.00 1.00 C ATOM 87 CD2 LEU A 5 2.104 15.711 15.094 1.00 1.00 C ATOM 0 H LEU A 5 -0.632 19.611 15.830 1.00 1.00 H new ATOM 0 HA LEU A 5 2.102 18.462 15.590 1.00 1.00 H new ATOM 0 HB2 LEU A 5 0.181 17.649 17.248 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -0.540 16.971 15.802 1.00 1.00 H new ATOM 0 HG LEU A 5 2.043 16.234 17.172 1.00 1.00 H new ATOM 0 HD11 LEU A 5 1.108 13.905 16.818 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -0.053 14.950 17.670 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -0.265 14.614 15.936 1.00 1.00 H new ATOM 0 HD21 LEU A 5 2.725 14.828 15.244 1.00 1.00 H new ATOM 0 HD22 LEU A 5 1.403 15.527 14.279 1.00 1.00 H new ATOM 0 HD23 LEU A 5 2.737 16.562 14.843 1.00 1.00 H new ATOM 99 N ILE A 6 1.837 17.772 13.206 1.00 1.00 N ATOM 100 CA ILE A 6 1.706 17.424 11.781 1.00 1.00 C ATOM 101 C ILE A 6 1.866 15.932 11.635 1.00 1.00 C ATOM 102 O ILE A 6 2.827 15.344 12.122 1.00 1.00 O ATOM 103 CB ILE A 6 2.772 18.102 10.942 1.00 1.00 C ATOM 104 CG1 ILE A 6 2.689 19.612 11.148 1.00 1.00 C ATOM 105 CG2 ILE A 6 2.569 17.756 9.463 1.00 1.00 C ATOM 106 CD1 ILE A 6 1.279 20.136 10.836 1.00 1.00 C ATOM 0 H ILE A 6 2.787 17.713 13.571 1.00 1.00 H new ATOM 0 HA ILE A 6 0.728 17.758 11.435 1.00 1.00 H new ATOM 0 HB ILE A 6 3.757 17.751 11.249 1.00 1.00 H new ATOM 0 HG12 ILE A 6 2.952 19.857 12.177 1.00 1.00 H new ATOM 0 HG13 ILE A 6 3.416 20.110 10.506 1.00 1.00 H new ATOM 0 HG21 ILE A 6 3.338 18.246 8.866 1.00 1.00 H new ATOM 0 HG22 ILE A 6 2.639 16.677 9.329 1.00 1.00 H new ATOM 0 HG23 ILE A 6 1.586 18.099 9.141 1.00 1.00 H new ATOM 0 HD11 ILE A 6 1.249 21.214 10.991 1.00 1.00 H new ATOM 0 HD12 ILE A 6 1.029 19.912 9.799 1.00 1.00 H new ATOM 0 HD13 ILE A 6 0.558 19.654 11.496 1.00 1.00 H new ATOM 118 N LEU A 7 0.898 15.312 10.998 1.00 1.00 N ATOM 119 CA LEU A 7 0.899 13.886 10.828 1.00 1.00 C ATOM 120 C LEU A 7 1.196 13.438 9.417 1.00 1.00 C ATOM 121 O LEU A 7 0.455 13.749 8.481 1.00 1.00 O ATOM 122 CB LEU A 7 -0.485 13.406 11.227 1.00 1.00 C ATOM 123 CG LEU A 7 -0.708 13.755 12.710 1.00 1.00 C ATOM 124 CD1 LEU A 7 -2.202 13.974 12.995 1.00 1.00 C ATOM 125 CD2 LEU A 7 -0.155 12.615 13.571 1.00 1.00 C ATOM 0 H LEU A 7 0.093 15.785 10.587 1.00 1.00 H new ATOM 0 HA LEU A 7 1.694 13.464 11.443 1.00 1.00 H new ATOM 0 HB2 LEU A 7 -1.245 13.881 10.607 1.00 1.00 H new ATOM 0 HB3 LEU A 7 -0.573 12.331 11.072 1.00 1.00 H new ATOM 0 HG LEU A 7 -0.186 14.681 12.951 1.00 1.00 H new ATOM 0 HD11 LEU A 7 -2.339 14.220 14.048 1.00 1.00 H new ATOM 0 HD12 LEU A 7 -2.573 14.794 12.380 1.00 1.00 H new ATOM 0 HD13 LEU A 7 -2.754 13.064 12.760 1.00 1.00 H new ATOM 0 HD21 LEU A 7 -0.306 12.849 14.625 1.00 1.00 H new ATOM 0 HD22 LEU A 7 -0.675 11.689 13.326 1.00 1.00 H new ATOM 0 HD23 LEU A 7 0.911 12.495 13.375 1.00 1.00 H new ATOM 137 N ASN A 8 2.245 12.637 9.292 1.00 1.00 N ATOM 138 CA ASN A 8 2.632 12.045 8.027 1.00 1.00 C ATOM 139 C ASN A 8 2.782 10.547 8.257 1.00 1.00 C ATOM 140 O ASN A 8 3.855 9.979 8.061 1.00 1.00 O ATOM 141 CB ASN A 8 3.957 12.634 7.547 1.00 1.00 C ATOM 142 CG ASN A 8 4.275 12.110 6.150 1.00 1.00 C ATOM 143 OD1 ASN A 8 3.522 11.302 5.607 1.00 1.00 O ATOM 144 ND2 ASN A 8 5.351 12.521 5.535 1.00 1.00 N ATOM 0 H ASN A 8 2.852 12.381 10.071 1.00 1.00 H new ATOM 0 HA ASN A 8 1.881 12.249 7.264 1.00 1.00 H new ATOM 0 HB2 ASN A 8 3.899 13.722 7.533 1.00 1.00 H new ATOM 0 HB3 ASN A 8 4.757 12.366 8.237 1.00 1.00 H new ATOM 0 HD21 ASN A 8 5.570 12.172 4.602 1.00 1.00 H new ATOM 0 HD22 ASN A 8 5.973 13.191 5.988 1.00 1.00 H new ATOM 151 N GLY A 9 1.697 9.918 8.695 1.00 1.00 N ATOM 152 CA GLY A 9 1.707 8.487 8.980 1.00 1.00 C ATOM 153 C GLY A 9 1.336 7.676 7.759 1.00 1.00 C ATOM 154 O GLY A 9 0.666 8.169 6.853 1.00 1.00 O ATOM 0 H GLY A 9 0.800 10.375 8.860 1.00 1.00 H new ATOM 0 HA2 GLY A 9 2.697 8.191 9.328 1.00 1.00 H new ATOM 0 HA3 GLY A 9 1.008 8.271 9.788 1.00 1.00 H new ATOM 158 N LYS A 10 1.788 6.428 7.727 1.00 1.00 N ATOM 159 CA LYS A 10 1.482 5.589 6.575 1.00 1.00 C ATOM 160 C LYS A 10 0.007 5.207 6.604 1.00 1.00 C ATOM 161 O LYS A 10 -0.608 4.975 5.562 1.00 1.00 O ATOM 162 CB LYS A 10 2.367 4.336 6.572 1.00 1.00 C ATOM 163 CG LYS A 10 2.210 3.583 7.893 1.00 1.00 C ATOM 164 CD LYS A 10 3.183 2.403 7.923 1.00 1.00 C ATOM 165 CE LYS A 10 3.056 1.673 9.260 1.00 1.00 C ATOM 166 NZ LYS A 10 4.027 0.542 9.303 1.00 1.00 N ATOM 0 H LYS A 10 2.348 5.987 8.457 1.00 1.00 H new ATOM 0 HA LYS A 10 1.687 6.146 5.661 1.00 1.00 H new ATOM 0 HB2 LYS A 10 2.092 3.688 5.740 1.00 1.00 H new ATOM 0 HB3 LYS A 10 3.410 4.617 6.426 1.00 1.00 H new ATOM 0 HG2 LYS A 10 2.406 4.252 8.731 1.00 1.00 H new ATOM 0 HG3 LYS A 10 1.186 3.227 8.002 1.00 1.00 H new ATOM 0 HD2 LYS A 10 2.968 1.720 7.101 1.00 1.00 H new ATOM 0 HD3 LYS A 10 4.205 2.757 7.785 1.00 1.00 H new ATOM 0 HE2 LYS A 10 3.248 2.362 10.082 1.00 1.00 H new ATOM 0 HE3 LYS A 10 2.040 1.299 9.387 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 3.941 0.045 10.212 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 3.824 -0.119 8.526 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 4.994 0.911 9.200 1.00 1.00 H new ATOM 180 N THR A 11 -0.565 5.167 7.808 1.00 1.00 N ATOM 181 CA THR A 11 -1.982 4.842 7.982 1.00 1.00 C ATOM 182 C THR A 11 -2.756 6.050 8.508 1.00 1.00 C ATOM 183 O THR A 11 -3.979 6.111 8.374 1.00 1.00 O ATOM 184 CB THR A 11 -2.124 3.675 8.970 1.00 1.00 C ATOM 185 OG1 THR A 11 -1.246 3.883 10.067 1.00 1.00 O ATOM 186 CG2 THR A 11 -1.769 2.356 8.272 1.00 1.00 C ATOM 0 H THR A 11 -0.068 5.356 8.679 1.00 1.00 H new ATOM 0 HA THR A 11 -2.393 4.560 7.013 1.00 1.00 H new ATOM 0 HB THR A 11 -3.153 3.624 9.326 1.00 1.00 H new ATOM 0 HG1 THR A 11 -1.334 3.141 10.702 1.00 1.00 H new ATOM 0 HG21 THR A 11 -1.872 1.532 8.978 1.00 1.00 H new ATOM 0 HG22 THR A 11 -2.442 2.198 7.429 1.00 1.00 H new ATOM 0 HG23 THR A 11 -0.741 2.400 7.912 1.00 1.00 H new ATOM 194 N LEU A 12 -2.047 6.997 9.137 1.00 1.00 N ATOM 195 CA LEU A 12 -2.697 8.174 9.711 1.00 1.00 C ATOM 196 C LEU A 12 -2.022 9.474 9.272 1.00 1.00 C ATOM 197 O LEU A 12 -0.830 9.679 9.492 1.00 1.00 O ATOM 198 CB LEU A 12 -2.671 8.040 11.231 1.00 1.00 C ATOM 199 CG LEU A 12 -3.476 9.177 11.876 1.00 1.00 C ATOM 200 CD1 LEU A 12 -3.846 8.780 13.311 1.00 1.00 C ATOM 201 CD2 LEU A 12 -2.664 10.494 11.878 1.00 1.00 C ATOM 0 H LEU A 12 -1.035 6.969 9.259 1.00 1.00 H new ATOM 0 HA LEU A 12 -3.725 8.223 9.351 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -3.087 7.077 11.526 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -1.642 8.065 11.588 1.00 1.00 H new ATOM 0 HG LEU A 12 -4.384 9.343 11.296 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -4.418 9.584 13.775 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -4.446 7.870 13.294 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -2.937 8.604 13.886 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -3.255 11.285 12.340 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -1.743 10.352 12.443 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -2.422 10.774 10.853 1.00 1.00 H new ATOM 213 N LYS A 13 -2.816 10.358 8.666 1.00 1.00 N ATOM 214 CA LYS A 13 -2.328 11.663 8.204 1.00 1.00 C ATOM 215 C LYS A 13 -3.303 12.769 8.585 1.00 1.00 C ATOM 216 O LYS A 13 -4.503 12.538 8.734 1.00 1.00 O ATOM 217 CB LYS A 13 -2.148 11.643 6.671 1.00 1.00 C ATOM 218 CG LYS A 13 -0.706 11.228 6.298 1.00 1.00 C ATOM 219 CD LYS A 13 -0.706 10.372 5.019 1.00 1.00 C ATOM 220 CE LYS A 13 -1.444 9.030 5.256 1.00 1.00 C ATOM 221 NZ LYS A 13 -1.651 8.795 6.719 1.00 1.00 N ATOM 0 H LYS A 13 -3.806 10.195 8.482 1.00 1.00 H new ATOM 0 HA LYS A 13 -1.369 11.860 8.684 1.00 1.00 H new ATOM 0 HB2 LYS A 13 -2.859 10.948 6.225 1.00 1.00 H new ATOM 0 HB3 LYS A 13 -2.366 12.629 6.261 1.00 1.00 H new ATOM 0 HG2 LYS A 13 -0.093 12.117 6.148 1.00 1.00 H new ATOM 0 HG3 LYS A 13 -0.259 10.667 7.118 1.00 1.00 H new ATOM 0 HD2 LYS A 13 -1.188 10.920 4.209 1.00 1.00 H new ATOM 0 HD3 LYS A 13 0.320 10.178 4.706 1.00 1.00 H new ATOM 0 HE2 LYS A 13 -2.406 9.043 4.744 1.00 1.00 H new ATOM 0 HE3 LYS A 13 -0.866 8.210 4.829 1.00 1.00 H new ATOM 0 HZ1 LYS A 13 -1.859 7.789 6.883 1.00 1.00 H new ATOM 0 HZ2 LYS A 13 -0.790 9.060 7.238 1.00 1.00 H new ATOM 0 HZ3 LYS A 13 -2.449 9.372 7.054 1.00 1.00 H new ATOM 235 N GLY A 14 -2.771 13.980 8.706 1.00 1.00 N ATOM 236 CA GLY A 14 -3.582 15.142 9.037 1.00 1.00 C ATOM 237 C GLY A 14 -2.844 16.069 9.989 1.00 1.00 C ATOM 238 O GLY A 14 -1.619 16.184 9.941 1.00 1.00 O ATOM 0 H GLY A 14 -1.779 14.181 8.579 1.00 1.00 H new ATOM 0 HA2 GLY A 14 -3.840 15.681 8.126 1.00 1.00 H new ATOM 0 HA3 GLY A 14 -4.518 14.819 9.492 1.00 1.00 H new ATOM 242 N GLU A 15 -3.607 16.750 10.851 1.00 1.00 N ATOM 243 CA GLU A 15 -3.038 17.692 11.810 1.00 1.00 C ATOM 244 C GLU A 15 -3.846 17.663 13.109 1.00 1.00 C ATOM 245 O GLU A 15 -5.014 17.273 13.121 1.00 1.00 O ATOM 246 CB GLU A 15 -3.025 19.156 11.260 1.00 1.00 C ATOM 247 CG GLU A 15 -3.369 19.230 9.756 1.00 1.00 C ATOM 248 CD GLU A 15 -2.122 19.007 8.902 1.00 1.00 C ATOM 249 OE1 GLU A 15 -1.161 18.465 9.421 1.00 1.00 O ATOM 250 OE2 GLU A 15 -2.148 19.382 7.741 1.00 1.00 O ATOM 0 H GLU A 15 -4.622 16.663 10.901 1.00 1.00 H new ATOM 0 HA GLU A 15 -2.008 17.384 11.991 1.00 1.00 H new ATOM 0 HB2 GLU A 15 -3.739 19.757 11.822 1.00 1.00 H new ATOM 0 HB3 GLU A 15 -2.040 19.593 11.425 1.00 1.00 H new ATOM 0 HG2 GLU A 15 -4.121 18.479 9.513 1.00 1.00 H new ATOM 0 HG3 GLU A 15 -3.804 20.202 9.525 1.00 1.00 H new ATOM 257 N THR A 16 -3.208 18.081 14.194 1.00 1.00 N ATOM 258 CA THR A 16 -3.854 18.116 15.511 1.00 1.00 C ATOM 259 C THR A 16 -3.321 19.312 16.321 1.00 1.00 C ATOM 260 O THR A 16 -2.170 19.705 16.160 1.00 1.00 O ATOM 261 CB THR A 16 -3.596 16.768 16.222 1.00 1.00 C ATOM 262 OG1 THR A 16 -4.689 15.899 15.968 1.00 1.00 O ATOM 263 CG2 THR A 16 -3.432 16.942 17.736 1.00 1.00 C ATOM 0 H THR A 16 -2.240 18.403 14.194 1.00 1.00 H new ATOM 0 HA THR A 16 -4.931 18.251 15.411 1.00 1.00 H new ATOM 0 HB THR A 16 -2.668 16.350 15.832 1.00 1.00 H new ATOM 0 HG1 THR A 16 -4.427 14.976 16.169 1.00 1.00 H new ATOM 0 HG21 THR A 16 -3.252 15.971 18.197 1.00 1.00 H new ATOM 0 HG22 THR A 16 -2.587 17.601 17.937 1.00 1.00 H new ATOM 0 HG23 THR A 16 -4.340 17.379 18.152 1.00 1.00 H new ATOM 271 N THR A 17 -4.166 19.889 17.189 1.00 1.00 N ATOM 272 CA THR A 17 -3.753 21.044 18.013 1.00 1.00 C ATOM 273 C THR A 17 -4.114 20.840 19.484 1.00 1.00 C ATOM 274 O THR A 17 -5.182 20.322 19.808 1.00 1.00 O ATOM 275 CB THR A 17 -4.429 22.332 17.498 1.00 1.00 C ATOM 276 OG1 THR A 17 -5.750 22.024 17.075 1.00 1.00 O ATOM 277 CG2 THR A 17 -3.644 22.922 16.327 1.00 1.00 C ATOM 0 H THR A 17 -5.127 19.583 17.340 1.00 1.00 H new ATOM 0 HA THR A 17 -2.670 21.135 17.932 1.00 1.00 H new ATOM 0 HB THR A 17 -4.453 23.066 18.303 1.00 1.00 H new ATOM 0 HG1 THR A 17 -6.187 22.838 16.748 1.00 1.00 H new ATOM 0 HG21 THR A 17 -4.137 23.829 15.979 1.00 1.00 H new ATOM 0 HG22 THR A 17 -2.631 23.161 16.652 1.00 1.00 H new ATOM 0 HG23 THR A 17 -3.603 22.197 15.514 1.00 1.00 H new ATOM 285 N THR A 18 -3.214 21.277 20.370 1.00 1.00 N ATOM 286 CA THR A 18 -3.440 21.169 21.809 1.00 1.00 C ATOM 287 C THR A 18 -2.765 22.321 22.531 1.00 1.00 C ATOM 288 O THR A 18 -1.724 22.810 22.086 1.00 1.00 O ATOM 289 CB THR A 18 -2.891 19.848 22.352 1.00 1.00 C ATOM 290 OG1 THR A 18 -3.562 19.534 23.565 1.00 1.00 O ATOM 291 CG2 THR A 18 -1.384 19.956 22.620 1.00 1.00 C ATOM 0 H THR A 18 -2.325 21.707 20.114 1.00 1.00 H new ATOM 0 HA THR A 18 -4.516 21.203 21.983 1.00 1.00 H new ATOM 0 HB THR A 18 -3.057 19.065 21.612 1.00 1.00 H new ATOM 0 HG1 THR A 18 -3.748 18.572 23.596 1.00 1.00 H new ATOM 0 HG21 THR A 18 -1.014 19.006 23.006 1.00 1.00 H new ATOM 0 HG22 THR A 18 -0.866 20.198 21.692 1.00 1.00 H new ATOM 0 HG23 THR A 18 -1.200 20.741 23.353 1.00 1.00 H new ATOM 299 N GLU A 19 -3.333 22.740 23.652 1.00 1.00 N ATOM 300 CA GLU A 19 -2.739 23.815 24.428 1.00 1.00 C ATOM 301 C GLU A 19 -2.058 23.228 25.657 1.00 1.00 C ATOM 302 O GLU A 19 -2.623 22.380 26.348 1.00 1.00 O ATOM 303 CB GLU A 19 -3.819 24.820 24.832 1.00 1.00 C ATOM 304 CG GLU A 19 -3.172 26.166 25.146 1.00 1.00 C ATOM 305 CD GLU A 19 -4.250 27.196 25.459 1.00 1.00 C ATOM 306 OE1 GLU A 19 -5.404 26.921 25.175 1.00 1.00 O ATOM 307 OE2 GLU A 19 -3.907 28.246 25.977 1.00 1.00 O ATOM 0 H GLU A 19 -4.195 22.356 24.040 1.00 1.00 H new ATOM 0 HA GLU A 19 -1.994 24.338 23.829 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.545 24.933 24.027 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -4.363 24.454 25.703 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -2.495 26.065 25.994 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -2.573 26.499 24.298 1.00 1.00 H new ATOM 314 N ALA A 20 -0.841 23.680 25.919 1.00 1.00 N ATOM 315 CA ALA A 20 -0.070 23.196 27.061 1.00 1.00 C ATOM 316 C ALA A 20 0.728 24.335 27.682 1.00 1.00 C ATOM 317 O ALA A 20 0.871 25.402 27.086 1.00 1.00 O ATOM 318 CB ALA A 20 0.864 22.046 26.628 1.00 1.00 C ATOM 0 H ALA A 20 -0.362 24.383 25.356 1.00 1.00 H new ATOM 0 HA ALA A 20 -0.760 22.812 27.813 1.00 1.00 H new ATOM 0 HB1 ALA A 20 1.433 21.695 27.489 1.00 1.00 H new ATOM 0 HB2 ALA A 20 0.269 21.225 26.227 1.00 1.00 H new ATOM 0 HB3 ALA A 20 1.551 22.404 25.861 1.00 1.00 H new ATOM 324 N VAL A 21 1.266 24.086 28.862 1.00 1.00 N ATOM 325 CA VAL A 21 2.076 25.078 29.538 1.00 1.00 C ATOM 326 C VAL A 21 3.370 25.240 28.763 1.00 1.00 C ATOM 327 O VAL A 21 3.872 26.351 28.583 1.00 1.00 O ATOM 328 CB VAL A 21 2.359 24.635 30.981 1.00 1.00 C ATOM 329 CG1 VAL A 21 2.632 23.134 31.022 1.00 1.00 C ATOM 330 CG2 VAL A 21 3.572 25.388 31.542 1.00 1.00 C ATOM 0 H VAL A 21 1.156 23.208 29.369 1.00 1.00 H new ATOM 0 HA VAL A 21 1.550 26.032 29.580 1.00 1.00 H new ATOM 0 HB VAL A 21 1.484 24.862 31.590 1.00 1.00 H new ATOM 0 HG11 VAL A 21 2.832 22.828 32.049 1.00 1.00 H new ATOM 0 HG12 VAL A 21 1.762 22.596 30.646 1.00 1.00 H new ATOM 0 HG13 VAL A 21 3.497 22.904 30.400 1.00 1.00 H new ATOM 0 HG21 VAL A 21 3.760 25.063 32.565 1.00 1.00 H new ATOM 0 HG22 VAL A 21 4.447 25.177 30.928 1.00 1.00 H new ATOM 0 HG23 VAL A 21 3.372 26.459 31.532 1.00 1.00 H new ATOM 340 N ASP A 22 3.901 24.117 28.311 1.00 1.00 N ATOM 341 CA ASP A 22 5.141 24.115 27.552 1.00 1.00 C ATOM 342 C ASP A 22 5.202 22.891 26.645 1.00 1.00 C ATOM 343 O ASP A 22 4.247 22.119 26.558 1.00 1.00 O ATOM 344 CB ASP A 22 6.326 24.082 28.519 1.00 1.00 C ATOM 345 CG ASP A 22 6.234 22.847 29.410 1.00 1.00 C ATOM 346 OD1 ASP A 22 5.436 21.977 29.103 1.00 1.00 O ATOM 347 OD2 ASP A 22 6.965 22.791 30.384 1.00 1.00 O ATOM 0 H ASP A 22 3.493 23.194 28.456 1.00 1.00 H new ATOM 0 HA ASP A 22 5.183 25.016 26.940 1.00 1.00 H new ATOM 0 HB2 ASP A 22 7.262 24.070 27.961 1.00 1.00 H new ATOM 0 HB3 ASP A 22 6.332 24.984 29.132 1.00 1.00 H new ATOM 352 N ALA A 23 6.340 22.716 25.983 1.00 1.00 N ATOM 353 CA ALA A 23 6.542 21.579 25.096 1.00 1.00 C ATOM 354 C ALA A 23 6.656 20.293 25.902 1.00 1.00 C ATOM 355 O ALA A 23 6.206 19.233 25.473 1.00 1.00 O ATOM 356 CB ALA A 23 7.811 21.783 24.268 1.00 1.00 C ATOM 0 H ALA A 23 7.138 23.349 26.045 1.00 1.00 H new ATOM 0 HA ALA A 23 5.684 21.501 24.428 1.00 1.00 H new ATOM 0 HB1 ALA A 23 7.955 20.928 23.607 1.00 1.00 H new ATOM 0 HB2 ALA A 23 7.715 22.691 23.672 1.00 1.00 H new ATOM 0 HB3 ALA A 23 8.669 21.876 24.934 1.00 1.00 H new ATOM 362 N ALA A 24 7.261 20.403 27.081 1.00 1.00 N ATOM 363 CA ALA A 24 7.430 19.249 27.952 1.00 1.00 C ATOM 364 C ALA A 24 6.084 18.552 28.148 1.00 1.00 C ATOM 365 O ALA A 24 6.024 17.334 28.307 1.00 1.00 O ATOM 366 CB ALA A 24 7.992 19.686 29.310 1.00 1.00 C ATOM 0 H ALA A 24 7.640 21.275 27.452 1.00 1.00 H new ATOM 0 HA ALA A 24 8.132 18.556 27.489 1.00 1.00 H new ATOM 0 HB1 ALA A 24 8.113 18.813 29.951 1.00 1.00 H new ATOM 0 HB2 ALA A 24 8.959 20.168 29.166 1.00 1.00 H new ATOM 0 HB3 ALA A 24 7.304 20.388 29.780 1.00 1.00 H new ATOM 372 N THR A 25 5.005 19.339 28.140 1.00 1.00 N ATOM 373 CA THR A 25 3.660 18.795 28.323 1.00 1.00 C ATOM 374 C THR A 25 3.062 18.387 26.975 1.00 1.00 C ATOM 375 O THR A 25 2.605 17.258 26.801 1.00 1.00 O ATOM 376 CB THR A 25 2.746 19.847 28.988 1.00 1.00 C ATOM 377 OG1 THR A 25 2.979 21.110 28.380 1.00 1.00 O ATOM 378 CG2 THR A 25 3.027 19.957 30.496 1.00 1.00 C ATOM 0 H THR A 25 5.037 20.350 28.009 1.00 1.00 H new ATOM 0 HA THR A 25 3.730 17.917 28.965 1.00 1.00 H new ATOM 0 HB THR A 25 1.709 19.539 28.853 1.00 1.00 H new ATOM 0 HG1 THR A 25 3.860 21.444 28.648 1.00 1.00 H new ATOM 0 HG21 THR A 25 2.368 20.706 30.935 1.00 1.00 H new ATOM 0 HG22 THR A 25 2.848 18.992 30.971 1.00 1.00 H new ATOM 0 HG23 THR A 25 4.065 20.251 30.652 1.00 1.00 H new ATOM 386 N ALA A 26 3.042 19.323 26.037 1.00 1.00 N ATOM 387 CA ALA A 26 2.469 19.057 24.721 1.00 1.00 C ATOM 388 C ALA A 26 3.133 17.851 24.042 1.00 1.00 C ATOM 389 O ALA A 26 2.471 17.107 23.317 1.00 1.00 O ATOM 390 CB ALA A 26 2.610 20.300 23.838 1.00 1.00 C ATOM 0 H ALA A 26 3.412 20.266 26.158 1.00 1.00 H new ATOM 0 HA ALA A 26 1.414 18.817 24.856 1.00 1.00 H new ATOM 0 HB1 ALA A 26 2.182 20.099 22.856 1.00 1.00 H new ATOM 0 HB2 ALA A 26 2.084 21.136 24.299 1.00 1.00 H new ATOM 0 HB3 ALA A 26 3.665 20.551 23.729 1.00 1.00 H new ATOM 396 N GLU A 27 4.436 17.670 24.255 1.00 1.00 N ATOM 397 CA GLU A 27 5.151 16.552 23.621 1.00 1.00 C ATOM 398 C GLU A 27 4.556 15.205 24.035 1.00 1.00 C ATOM 399 O GLU A 27 4.336 14.331 23.197 1.00 1.00 O ATOM 400 CB GLU A 27 6.664 16.600 23.954 1.00 1.00 C ATOM 401 CG GLU A 27 6.978 15.972 25.323 1.00 1.00 C ATOM 402 CD GLU A 27 8.463 16.140 25.652 1.00 1.00 C ATOM 403 OE1 GLU A 27 9.004 17.188 25.339 1.00 1.00 O ATOM 404 OE2 GLU A 27 9.033 15.220 26.213 1.00 1.00 O ATOM 0 H GLU A 27 5.012 18.267 24.848 1.00 1.00 H new ATOM 0 HA GLU A 27 5.032 16.657 22.543 1.00 1.00 H new ATOM 0 HB2 GLU A 27 7.222 16.075 23.179 1.00 1.00 H new ATOM 0 HB3 GLU A 27 7.004 17.636 23.945 1.00 1.00 H new ATOM 0 HG2 GLU A 27 6.371 16.444 26.096 1.00 1.00 H new ATOM 0 HG3 GLU A 27 6.717 14.914 25.314 1.00 1.00 H new ATOM 411 N LYS A 28 4.310 15.047 25.325 1.00 1.00 N ATOM 412 CA LYS A 28 3.757 13.803 25.841 1.00 1.00 C ATOM 413 C LYS A 28 2.308 13.646 25.401 1.00 1.00 C ATOM 414 O LYS A 28 1.818 12.531 25.228 1.00 1.00 O ATOM 415 CB LYS A 28 3.870 13.784 27.368 1.00 1.00 C ATOM 416 CG LYS A 28 5.296 13.378 27.774 1.00 1.00 C ATOM 417 CD LYS A 28 5.451 13.413 29.301 1.00 1.00 C ATOM 418 CE LYS A 28 5.703 14.854 29.781 1.00 1.00 C ATOM 419 NZ LYS A 28 6.009 14.850 31.256 1.00 1.00 N ATOM 0 H LYS A 28 4.483 15.761 26.033 1.00 1.00 H new ATOM 0 HA LYS A 28 4.323 12.963 25.439 1.00 1.00 H new ATOM 0 HB2 LYS A 28 3.632 14.768 27.773 1.00 1.00 H new ATOM 0 HB3 LYS A 28 3.148 13.083 27.788 1.00 1.00 H new ATOM 0 HG2 LYS A 28 5.515 12.377 27.403 1.00 1.00 H new ATOM 0 HG3 LYS A 28 6.018 14.053 27.314 1.00 1.00 H new ATOM 0 HD2 LYS A 28 4.552 13.017 29.773 1.00 1.00 H new ATOM 0 HD3 LYS A 28 6.279 12.772 29.604 1.00 1.00 H new ATOM 0 HE2 LYS A 28 6.534 15.292 29.228 1.00 1.00 H new ATOM 0 HE3 LYS A 28 4.827 15.472 29.583 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 6.179 15.824 31.578 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 5.203 14.449 31.777 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 6.857 14.274 31.433 1.00 1.00 H new ATOM 433 N VAL A 29 1.629 14.768 25.222 1.00 1.00 N ATOM 434 CA VAL A 29 0.233 14.745 24.810 1.00 1.00 C ATOM 435 C VAL A 29 0.111 14.290 23.356 1.00 1.00 C ATOM 436 O VAL A 29 -0.766 13.492 23.028 1.00 1.00 O ATOM 437 CB VAL A 29 -0.385 16.136 24.974 1.00 1.00 C ATOM 438 CG1 VAL A 29 -1.797 16.150 24.383 1.00 1.00 C ATOM 439 CG2 VAL A 29 -0.458 16.487 26.464 1.00 1.00 C ATOM 0 H VAL A 29 2.018 15.701 25.354 1.00 1.00 H new ATOM 0 HA VAL A 29 -0.303 14.038 25.443 1.00 1.00 H new ATOM 0 HB VAL A 29 0.232 16.867 24.452 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -2.232 17.142 24.503 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -1.750 15.900 23.323 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -2.416 15.418 24.902 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -0.898 17.477 26.583 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -1.074 15.752 26.981 1.00 1.00 H new ATOM 0 HG23 VAL A 29 0.546 16.482 26.889 1.00 1.00 H new ATOM 449 N PHE A 30 0.979 14.798 22.488 1.00 1.00 N ATOM 450 CA PHE A 30 0.927 14.418 21.077 1.00 1.00 C ATOM 451 C PHE A 30 1.320 12.966 20.889 1.00 1.00 C ATOM 452 O PHE A 30 0.708 12.250 20.097 1.00 1.00 O ATOM 453 CB PHE A 30 1.889 15.260 20.252 1.00 1.00 C ATOM 454 CG PHE A 30 1.460 16.710 20.223 1.00 1.00 C ATOM 455 CD1 PHE A 30 0.187 17.068 19.741 1.00 1.00 C ATOM 456 CD2 PHE A 30 2.344 17.709 20.651 1.00 1.00 C ATOM 457 CE1 PHE A 30 -0.192 18.410 19.696 1.00 1.00 C ATOM 458 CE2 PHE A 30 1.958 19.051 20.595 1.00 1.00 C ATOM 459 CZ PHE A 30 0.689 19.397 20.119 1.00 1.00 C ATOM 0 H PHE A 30 1.715 15.462 22.728 1.00 1.00 H new ATOM 0 HA PHE A 30 -0.099 14.578 20.746 1.00 1.00 H new ATOM 0 HB2 PHE A 30 2.893 15.183 20.669 1.00 1.00 H new ATOM 0 HB3 PHE A 30 1.936 14.871 19.235 1.00 1.00 H new ATOM 0 HD1 PHE A 30 -0.497 16.303 19.406 1.00 1.00 H new ATOM 0 HD2 PHE A 30 3.322 17.443 21.024 1.00 1.00 H new ATOM 0 HE1 PHE A 30 -1.172 18.682 19.332 1.00 1.00 H new ATOM 0 HE2 PHE A 30 2.641 19.822 20.920 1.00 1.00 H new ATOM 0 HZ PHE A 30 0.393 20.435 20.080 1.00 1.00 H new ATOM 469 N LYS A 31 2.336 12.524 21.614 1.00 1.00 N ATOM 470 CA LYS A 31 2.767 11.151 21.482 1.00 1.00 C ATOM 471 C LYS A 31 1.657 10.251 21.984 1.00 1.00 C ATOM 472 O LYS A 31 1.390 9.206 21.403 1.00 1.00 O ATOM 473 CB LYS A 31 4.059 10.923 22.272 1.00 1.00 C ATOM 474 CG LYS A 31 5.196 11.706 21.607 1.00 1.00 C ATOM 475 CD LYS A 31 6.478 11.512 22.433 1.00 1.00 C ATOM 476 CE LYS A 31 7.651 12.305 21.831 1.00 1.00 C ATOM 477 NZ LYS A 31 7.632 13.714 22.338 1.00 1.00 N ATOM 0 H LYS A 31 2.864 13.084 22.283 1.00 1.00 H new ATOM 0 HA LYS A 31 2.976 10.921 20.437 1.00 1.00 H new ATOM 0 HB2 LYS A 31 3.931 11.249 23.304 1.00 1.00 H new ATOM 0 HB3 LYS A 31 4.300 9.860 22.300 1.00 1.00 H new ATOM 0 HG2 LYS A 31 5.348 11.357 20.586 1.00 1.00 H new ATOM 0 HG3 LYS A 31 4.942 12.764 21.547 1.00 1.00 H new ATOM 0 HD2 LYS A 31 6.305 11.836 23.459 1.00 1.00 H new ATOM 0 HD3 LYS A 31 6.733 10.453 22.471 1.00 1.00 H new ATOM 0 HE2 LYS A 31 8.595 11.828 22.093 1.00 1.00 H new ATOM 0 HE3 LYS A 31 7.583 12.301 20.743 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 8.428 14.242 21.926 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 6.737 14.169 22.066 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 7.718 13.711 23.374 1.00 1.00 H new ATOM 491 N GLN A 32 0.972 10.679 23.042 1.00 1.00 N ATOM 492 CA GLN A 32 -0.141 9.898 23.551 1.00 1.00 C ATOM 493 C GLN A 32 -1.205 9.780 22.482 1.00 1.00 C ATOM 494 O GLN A 32 -1.740 8.709 22.244 1.00 1.00 O ATOM 495 CB GLN A 32 -0.781 10.527 24.784 1.00 1.00 C ATOM 496 CG GLN A 32 -2.017 9.695 25.183 1.00 1.00 C ATOM 497 CD GLN A 32 -2.473 10.109 26.575 1.00 1.00 C ATOM 498 OE1 GLN A 32 -1.817 11.043 27.216 1.00 1.00 O flip ATOM 499 NE2 GLN A 32 -3.448 9.569 27.096 1.00 1.00 N flip ATOM 0 H GLN A 32 1.165 11.542 23.550 1.00 1.00 H new ATOM 0 HA GLN A 32 0.258 8.922 23.829 1.00 1.00 H new ATOM 0 HB2 GLN A 32 -0.066 10.558 25.606 1.00 1.00 H new ATOM 0 HB3 GLN A 32 -1.071 11.557 24.575 1.00 1.00 H new ATOM 0 HG2 GLN A 32 -2.821 9.849 24.463 1.00 1.00 H new ATOM 0 HG3 GLN A 32 -1.775 8.632 25.168 1.00 1.00 H new ATOM 0 HE21 GLN A 32 -3.957 8.842 26.594 1.00 1.00 H new ATOM 0 HE22 GLN A 32 -3.747 9.849 28.030 1.00 1.00 H new ATOM 508 N TYR A 33 -1.515 10.907 21.856 1.00 1.00 N ATOM 509 CA TYR A 33 -2.527 10.934 20.825 1.00 1.00 C ATOM 510 C TYR A 33 -2.115 9.971 19.723 1.00 1.00 C ATOM 511 O TYR A 33 -2.886 9.099 19.328 1.00 1.00 O ATOM 512 CB TYR A 33 -2.655 12.386 20.323 1.00 1.00 C ATOM 513 CG TYR A 33 -3.095 12.438 18.881 1.00 1.00 C ATOM 514 CD1 TYR A 33 -2.142 12.322 17.862 1.00 1.00 C ATOM 515 CD2 TYR A 33 -4.445 12.599 18.550 1.00 1.00 C ATOM 516 CE1 TYR A 33 -2.526 12.369 16.523 1.00 1.00 C ATOM 517 CE2 TYR A 33 -4.835 12.642 17.205 1.00 1.00 C ATOM 518 CZ TYR A 33 -3.872 12.528 16.194 1.00 1.00 C ATOM 519 OH TYR A 33 -4.261 12.565 14.869 1.00 1.00 O ATOM 0 H TYR A 33 -1.078 11.809 22.048 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.502 10.616 21.195 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -3.373 12.924 20.943 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -1.697 12.895 20.430 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -1.100 12.195 18.116 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -5.186 12.690 19.331 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -1.784 12.283 15.743 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -5.877 12.763 16.948 1.00 1.00 H new ATOM 0 HH TYR A 33 -5.233 12.680 14.816 1.00 1.00 H new ATOM 529 N ALA A 34 -0.883 10.099 19.271 1.00 1.00 N ATOM 530 CA ALA A 34 -0.369 9.201 18.255 1.00 1.00 C ATOM 531 C ALA A 34 -0.387 7.761 18.792 1.00 1.00 C ATOM 532 O ALA A 34 -0.806 6.835 18.102 1.00 1.00 O ATOM 533 CB ALA A 34 1.058 9.634 17.891 1.00 1.00 C ATOM 0 H ALA A 34 -0.224 10.810 19.588 1.00 1.00 H new ATOM 0 HA ALA A 34 -0.990 9.240 17.360 1.00 1.00 H new ATOM 0 HB1 ALA A 34 1.457 8.967 17.127 1.00 1.00 H new ATOM 0 HB2 ALA A 34 1.042 10.655 17.509 1.00 1.00 H new ATOM 0 HB3 ALA A 34 1.689 9.589 18.778 1.00 1.00 H new ATOM 539 N ASN A 35 0.060 7.582 20.040 1.00 1.00 N ATOM 540 CA ASN A 35 0.087 6.255 20.640 1.00 1.00 C ATOM 541 C ASN A 35 -1.334 5.738 20.780 1.00 1.00 C ATOM 542 O ASN A 35 -1.610 4.578 20.476 1.00 1.00 O ATOM 543 CB ASN A 35 0.743 6.298 22.018 1.00 1.00 C ATOM 544 CG ASN A 35 0.823 4.893 22.596 1.00 1.00 C ATOM 545 OD1 ASN A 35 0.047 4.544 23.488 1.00 1.00 O ATOM 546 ND2 ASN A 35 1.712 4.052 22.138 1.00 1.00 N ATOM 0 H ASN A 35 0.402 8.331 20.642 1.00 1.00 H new ATOM 0 HA ASN A 35 0.667 5.594 19.996 1.00 1.00 H new ATOM 0 HB2 ASN A 35 1.742 6.727 21.942 1.00 1.00 H new ATOM 0 HB3 ASN A 35 0.169 6.943 22.684 1.00 1.00 H new ATOM 0 HD21 ASN A 35 1.764 3.107 22.519 1.00 1.00 H new ATOM 0 HD22 ASN A 35 2.354 4.340 21.400 1.00 1.00 H new ATOM 553 N ASP A 36 -2.257 6.591 21.206 1.00 1.00 N ATOM 554 CA ASP A 36 -3.618 6.132 21.331 1.00 1.00 C ATOM 555 C ASP A 36 -4.153 5.868 19.947 1.00 1.00 C ATOM 556 O ASP A 36 -5.141 5.152 19.775 1.00 1.00 O ATOM 557 CB ASP A 36 -4.493 7.167 22.040 1.00 1.00 C ATOM 558 CG ASP A 36 -4.047 7.272 23.492 1.00 1.00 C ATOM 559 OD1 ASP A 36 -3.254 6.444 23.907 1.00 1.00 O ATOM 560 OD2 ASP A 36 -4.523 8.165 24.175 1.00 1.00 O ATOM 0 H ASP A 36 -2.091 7.565 21.460 1.00 1.00 H new ATOM 0 HA ASP A 36 -3.637 5.223 21.932 1.00 1.00 H new ATOM 0 HB2 ASP A 36 -4.407 8.136 21.547 1.00 1.00 H new ATOM 0 HB3 ASP A 36 -5.542 6.875 21.987 1.00 1.00 H new ATOM 565 N ASN A 37 -3.531 6.509 18.946 1.00 1.00 N ATOM 566 CA ASN A 37 -4.004 6.345 17.571 1.00 1.00 C ATOM 567 C ASN A 37 -3.116 5.345 16.828 1.00 1.00 C ATOM 568 O ASN A 37 -3.219 5.197 15.608 1.00 1.00 O ATOM 569 CB ASN A 37 -3.938 7.688 16.837 1.00 1.00 C ATOM 570 CG ASN A 37 -5.068 8.599 17.303 1.00 1.00 C ATOM 571 OD1 ASN A 37 -5.990 8.135 17.970 1.00 1.00 O ATOM 572 ND2 ASN A 37 -5.045 9.868 16.984 1.00 1.00 N ATOM 0 H ASN A 37 -2.726 7.125 19.059 1.00 1.00 H new ATOM 0 HA ASN A 37 -5.031 5.981 17.598 1.00 1.00 H new ATOM 0 HB2 ASN A 37 -2.976 8.165 17.023 1.00 1.00 H new ATOM 0 HB3 ASN A 37 -4.011 7.527 15.761 1.00 1.00 H new ATOM 0 HD21 ASN A 37 -5.798 10.484 17.289 1.00 1.00 H new ATOM 0 HD22 ASN A 37 -4.274 10.241 16.430 1.00 1.00 H new ATOM 579 N GLY A 38 -2.282 4.637 17.588 1.00 1.00 N ATOM 580 CA GLY A 38 -1.413 3.604 17.033 1.00 1.00 C ATOM 581 C GLY A 38 -0.385 4.139 16.043 1.00 1.00 C ATOM 582 O GLY A 38 0.037 3.395 15.153 1.00 1.00 O ATOM 0 H GLY A 38 -2.191 4.762 18.596 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -0.893 3.102 17.849 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -2.027 2.853 16.536 1.00 1.00 H new ATOM 586 N VAL A 39 0.061 5.392 16.182 1.00 1.00 N ATOM 587 CA VAL A 39 1.077 5.904 15.268 1.00 1.00 C ATOM 588 C VAL A 39 2.465 5.675 15.859 1.00 1.00 C ATOM 589 O VAL A 39 2.717 5.995 17.019 1.00 1.00 O ATOM 590 CB VAL A 39 0.832 7.394 15.007 1.00 1.00 C ATOM 591 CG1 VAL A 39 1.544 7.826 13.736 1.00 1.00 C ATOM 592 CG2 VAL A 39 -0.675 7.614 14.839 1.00 1.00 C ATOM 0 H VAL A 39 -0.255 6.049 16.895 1.00 1.00 H new ATOM 0 HA VAL A 39 1.017 5.373 14.318 1.00 1.00 H new ATOM 0 HB VAL A 39 1.214 7.980 15.842 1.00 1.00 H new ATOM 0 HG11 VAL A 39 1.363 8.886 13.560 1.00 1.00 H new ATOM 0 HG12 VAL A 39 2.615 7.653 13.842 1.00 1.00 H new ATOM 0 HG13 VAL A 39 1.165 7.249 12.893 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -0.870 8.670 14.652 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -1.037 7.024 13.997 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -1.191 7.305 15.748 1.00 1.00 H new ATOM 602 N ASP A 40 3.368 5.128 15.043 1.00 1.00 N ATOM 603 CA ASP A 40 4.744 4.877 15.465 1.00 1.00 C ATOM 604 C ASP A 40 5.674 5.370 14.367 1.00 1.00 C ATOM 605 O ASP A 40 5.704 4.790 13.283 1.00 1.00 O ATOM 606 CB ASP A 40 4.938 3.372 15.686 1.00 1.00 C ATOM 607 CG ASP A 40 6.274 3.094 16.370 1.00 1.00 C ATOM 608 OD1 ASP A 40 7.025 4.035 16.570 1.00 1.00 O ATOM 609 OD2 ASP A 40 6.519 1.945 16.701 1.00 1.00 O ATOM 0 H ASP A 40 3.168 4.850 14.082 1.00 1.00 H new ATOM 0 HA ASP A 40 4.963 5.399 16.397 1.00 1.00 H new ATOM 0 HB2 ASP A 40 4.123 2.981 16.296 1.00 1.00 H new ATOM 0 HB3 ASP A 40 4.898 2.851 14.729 1.00 1.00 H new ATOM 614 N GLY A 41 6.412 6.445 14.615 1.00 1.00 N ATOM 615 CA GLY A 41 7.299 6.975 13.586 1.00 1.00 C ATOM 616 C GLY A 41 8.448 7.765 14.180 1.00 1.00 C ATOM 617 O GLY A 41 8.871 7.516 15.310 1.00 1.00 O ATOM 0 H GLY A 41 6.416 6.957 15.497 1.00 1.00 H new ATOM 0 HA2 GLY A 41 7.694 6.153 12.989 1.00 1.00 H new ATOM 0 HA3 GLY A 41 6.730 7.614 12.911 1.00 1.00 H new ATOM 621 N GLU A 42 8.924 8.754 13.424 1.00 1.00 N ATOM 622 CA GLU A 42 10.001 9.608 13.874 1.00 1.00 C ATOM 623 C GLU A 42 9.389 10.923 14.301 1.00 1.00 C ATOM 624 O GLU A 42 8.452 11.395 13.682 1.00 1.00 O ATOM 625 CB GLU A 42 10.987 9.840 12.736 1.00 1.00 C ATOM 626 CG GLU A 42 11.660 8.509 12.403 1.00 1.00 C ATOM 627 CD GLU A 42 12.599 8.667 11.213 1.00 1.00 C ATOM 628 OE1 GLU A 42 12.721 9.779 10.722 1.00 1.00 O ATOM 629 OE2 GLU A 42 13.185 7.678 10.810 1.00 1.00 O ATOM 0 H GLU A 42 8.572 8.977 12.493 1.00 1.00 H new ATOM 0 HA GLU A 42 10.538 9.147 14.703 1.00 1.00 H new ATOM 0 HB2 GLU A 42 10.470 10.233 11.861 1.00 1.00 H new ATOM 0 HB3 GLU A 42 11.733 10.580 13.025 1.00 1.00 H new ATOM 0 HG2 GLU A 42 12.218 8.150 13.268 1.00 1.00 H new ATOM 0 HG3 GLU A 42 10.902 7.758 12.178 1.00 1.00 H new ATOM 636 N TRP A 43 9.893 11.474 15.392 1.00 1.00 N ATOM 637 CA TRP A 43 9.351 12.716 15.949 1.00 1.00 C ATOM 638 C TRP A 43 10.351 13.845 15.964 1.00 1.00 C ATOM 639 O TRP A 43 11.543 13.661 16.210 1.00 1.00 O ATOM 640 CB TRP A 43 8.892 12.484 17.383 1.00 1.00 C ATOM 641 CG TRP A 43 7.660 11.659 17.378 1.00 1.00 C ATOM 642 CD1 TRP A 43 7.623 10.308 17.264 1.00 1.00 C ATOM 643 CD2 TRP A 43 6.289 12.100 17.503 1.00 1.00 C ATOM 644 NE1 TRP A 43 6.303 9.895 17.310 1.00 1.00 N ATOM 645 CE2 TRP A 43 5.449 10.966 17.456 1.00 1.00 C ATOM 646 CE3 TRP A 43 5.690 13.366 17.648 1.00 1.00 C ATOM 647 CZ2 TRP A 43 4.079 11.077 17.549 1.00 1.00 C ATOM 648 CZ3 TRP A 43 4.295 13.482 17.741 1.00 1.00 C ATOM 649 CH2 TRP A 43 3.490 12.334 17.693 1.00 1.00 C ATOM 0 H TRP A 43 10.678 11.085 15.915 1.00 1.00 H new ATOM 0 HA TRP A 43 8.522 13.001 15.302 1.00 1.00 H new ATOM 0 HB2 TRP A 43 9.676 11.983 17.951 1.00 1.00 H new ATOM 0 HB3 TRP A 43 8.702 13.438 17.875 1.00 1.00 H new ATOM 0 HD1 TRP A 43 8.481 9.662 17.155 1.00 1.00 H new ATOM 0 HE1 TRP A 43 6.001 8.923 17.244 1.00 1.00 H new ATOM 0 HE3 TRP A 43 6.307 14.251 17.688 1.00 1.00 H new ATOM 0 HZ2 TRP A 43 3.461 10.192 17.511 1.00 1.00 H new ATOM 0 HZ3 TRP A 43 3.840 14.456 17.850 1.00 1.00 H new ATOM 0 HH2 TRP A 43 2.416 12.423 17.767 1.00 1.00 H new ATOM 660 N THR A 44 9.825 15.027 15.709 1.00 1.00 N ATOM 661 CA THR A 44 10.618 16.244 15.696 1.00 1.00 C ATOM 662 C THR A 44 9.802 17.388 16.288 1.00 1.00 C ATOM 663 O THR A 44 8.571 17.337 16.281 1.00 1.00 O ATOM 664 CB THR A 44 10.958 16.568 14.253 1.00 1.00 C ATOM 665 OG1 THR A 44 11.416 17.910 14.156 1.00 1.00 O ATOM 666 CG2 THR A 44 9.696 16.369 13.417 1.00 1.00 C ATOM 0 H THR A 44 8.836 15.172 15.505 1.00 1.00 H new ATOM 0 HA THR A 44 11.527 16.110 16.283 1.00 1.00 H new ATOM 0 HB THR A 44 11.751 15.915 13.888 1.00 1.00 H new ATOM 0 HG1 THR A 44 11.636 18.114 13.223 1.00 1.00 H new ATOM 0 HG21 THR A 44 9.912 16.595 12.373 1.00 1.00 H new ATOM 0 HG22 THR A 44 9.362 15.335 13.503 1.00 1.00 H new ATOM 0 HG23 THR A 44 8.912 17.034 13.778 1.00 1.00 H new ATOM 674 N TYR A 45 10.473 18.431 16.776 1.00 1.00 N ATOM 675 CA TYR A 45 9.764 19.579 17.338 1.00 1.00 C ATOM 676 C TYR A 45 10.480 20.886 17.023 1.00 1.00 C ATOM 677 O TYR A 45 11.699 20.987 17.151 1.00 1.00 O ATOM 678 CB TYR A 45 9.645 19.433 18.862 1.00 1.00 C ATOM 679 CG TYR A 45 9.089 20.714 19.467 1.00 1.00 C ATOM 680 CD1 TYR A 45 7.830 21.184 19.079 1.00 1.00 C ATOM 681 CD2 TYR A 45 9.839 21.424 20.416 1.00 1.00 C ATOM 682 CE1 TYR A 45 7.321 22.364 19.640 1.00 1.00 C ATOM 683 CE2 TYR A 45 9.330 22.599 20.974 1.00 1.00 C ATOM 684 CZ TYR A 45 8.071 23.070 20.588 1.00 1.00 C ATOM 685 OH TYR A 45 7.568 24.228 21.146 1.00 1.00 O ATOM 0 H TYR A 45 11.490 18.505 16.794 1.00 1.00 H new ATOM 0 HA TYR A 45 8.773 19.604 16.885 1.00 1.00 H new ATOM 0 HB2 TYR A 45 8.993 18.594 19.105 1.00 1.00 H new ATOM 0 HB3 TYR A 45 10.622 19.213 19.292 1.00 1.00 H new ATOM 0 HD1 TYR A 45 7.251 20.639 18.348 1.00 1.00 H new ATOM 0 HD2 TYR A 45 10.811 21.062 20.716 1.00 1.00 H new ATOM 0 HE1 TYR A 45 6.349 22.728 19.340 1.00 1.00 H new ATOM 0 HE2 TYR A 45 9.909 23.144 21.704 1.00 1.00 H new ATOM 0 HH TYR A 45 8.216 24.591 21.786 1.00 1.00 H new ATOM 695 N ASP A 46 9.692 21.901 16.675 1.00 1.00 N ATOM 696 CA ASP A 46 10.221 23.235 16.413 1.00 1.00 C ATOM 697 C ASP A 46 9.582 24.214 17.397 1.00 1.00 C ATOM 698 O ASP A 46 8.360 24.376 17.412 1.00 1.00 O ATOM 699 CB ASP A 46 9.911 23.672 14.981 1.00 1.00 C ATOM 700 CG ASP A 46 10.508 25.053 14.737 1.00 1.00 C ATOM 701 OD1 ASP A 46 10.995 25.646 15.686 1.00 1.00 O ATOM 702 OD2 ASP A 46 10.477 25.497 13.601 1.00 1.00 O ATOM 0 H ASP A 46 8.681 21.823 16.568 1.00 1.00 H new ATOM 0 HA ASP A 46 11.304 23.222 16.537 1.00 1.00 H new ATOM 0 HB2 ASP A 46 10.323 22.954 14.272 1.00 1.00 H new ATOM 0 HB3 ASP A 46 8.833 23.695 14.821 1.00 1.00 H new ATOM 707 N ASP A 47 10.411 24.840 18.236 1.00 1.00 N ATOM 708 CA ASP A 47 9.912 25.771 19.245 1.00 1.00 C ATOM 709 C ASP A 47 9.643 27.152 18.654 1.00 1.00 C ATOM 710 O ASP A 47 8.912 27.952 19.237 1.00 1.00 O ATOM 711 CB ASP A 47 10.937 25.902 20.380 1.00 1.00 C ATOM 712 CG ASP A 47 12.170 26.677 19.913 1.00 1.00 C ATOM 713 OD1 ASP A 47 12.259 26.958 18.731 1.00 1.00 O ATOM 714 OD2 ASP A 47 13.006 26.977 20.750 1.00 1.00 O ATOM 0 H ASP A 47 11.424 24.719 18.235 1.00 1.00 H new ATOM 0 HA ASP A 47 8.972 25.373 19.627 1.00 1.00 H new ATOM 0 HB2 ASP A 47 10.482 26.411 21.230 1.00 1.00 H new ATOM 0 HB3 ASP A 47 11.234 24.911 20.724 1.00 1.00 H new ATOM 719 N ALA A 48 10.248 27.442 17.505 1.00 1.00 N ATOM 720 CA ALA A 48 10.054 28.750 16.892 1.00 1.00 C ATOM 721 C ALA A 48 8.723 28.804 16.148 1.00 1.00 C ATOM 722 O ALA A 48 8.180 29.884 15.915 1.00 1.00 O ATOM 723 CB ALA A 48 11.183 29.037 15.913 1.00 1.00 C ATOM 0 H ALA A 48 10.860 26.808 16.992 1.00 1.00 H new ATOM 0 HA ALA A 48 10.051 29.500 17.683 1.00 1.00 H new ATOM 0 HB1 ALA A 48 11.031 30.016 15.459 1.00 1.00 H new ATOM 0 HB2 ALA A 48 12.135 29.027 16.443 1.00 1.00 H new ATOM 0 HB3 ALA A 48 11.193 28.274 15.135 1.00 1.00 H new ATOM 729 N THR A 49 8.206 27.633 15.769 1.00 1.00 N ATOM 730 CA THR A 49 6.939 27.550 15.039 1.00 1.00 C ATOM 731 C THR A 49 5.892 26.833 15.887 1.00 1.00 C ATOM 732 O THR A 49 4.712 26.819 15.542 1.00 1.00 O ATOM 733 CB THR A 49 7.151 26.802 13.709 1.00 1.00 C ATOM 734 OG1 THR A 49 8.083 25.753 13.914 1.00 1.00 O ATOM 735 CG2 THR A 49 7.688 27.758 12.637 1.00 1.00 C ATOM 0 H THR A 49 8.644 26.731 15.955 1.00 1.00 H new ATOM 0 HA THR A 49 6.584 28.558 14.825 1.00 1.00 H new ATOM 0 HB THR A 49 6.197 26.397 13.370 1.00 1.00 H new ATOM 0 HG1 THR A 49 8.831 25.853 13.289 1.00 1.00 H new ATOM 0 HG21 THR A 49 7.832 27.214 11.704 1.00 1.00 H new ATOM 0 HG22 THR A 49 6.974 28.566 12.479 1.00 1.00 H new ATOM 0 HG23 THR A 49 8.640 28.175 12.965 1.00 1.00 H new ATOM 743 N LYS A 50 6.334 26.235 16.996 1.00 1.00 N ATOM 744 CA LYS A 50 5.425 25.519 17.876 1.00 1.00 C ATOM 745 C LYS A 50 4.717 24.413 17.110 1.00 1.00 C ATOM 746 O LYS A 50 3.500 24.259 17.216 1.00 1.00 O ATOM 747 CB LYS A 50 4.379 26.481 18.439 1.00 1.00 C ATOM 748 CG LYS A 50 5.063 27.697 19.064 1.00 1.00 C ATOM 749 CD LYS A 50 5.977 27.244 20.208 1.00 1.00 C ATOM 750 CE LYS A 50 6.278 28.420 21.143 1.00 1.00 C ATOM 751 NZ LYS A 50 6.935 27.903 22.372 1.00 1.00 N ATOM 0 H LYS A 50 7.308 26.235 17.299 1.00 1.00 H new ATOM 0 HA LYS A 50 6.003 25.085 18.692 1.00 1.00 H new ATOM 0 HB2 LYS A 50 3.705 26.802 17.645 1.00 1.00 H new ATOM 0 HB3 LYS A 50 3.771 25.972 19.187 1.00 1.00 H new ATOM 0 HG2 LYS A 50 5.644 28.227 18.310 1.00 1.00 H new ATOM 0 HG3 LYS A 50 4.314 28.395 19.438 1.00 1.00 H new ATOM 0 HD2 LYS A 50 5.500 26.439 20.767 1.00 1.00 H new ATOM 0 HD3 LYS A 50 6.907 26.844 19.804 1.00 1.00 H new ATOM 0 HE2 LYS A 50 6.926 29.141 20.645 1.00 1.00 H new ATOM 0 HE3 LYS A 50 5.357 28.943 21.400 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 7.143 28.695 23.013 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 6.301 27.230 22.848 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 7.821 27.422 22.116 1.00 1.00 H new ATOM 765 N THR A 51 5.478 23.655 16.317 1.00 1.00 N ATOM 766 CA THR A 51 4.895 22.574 15.511 1.00 1.00 C ATOM 767 C THR A 51 5.621 21.245 15.742 1.00 1.00 C ATOM 768 O THR A 51 6.844 21.171 15.631 1.00 1.00 O ATOM 769 CB THR A 51 4.980 22.943 14.024 1.00 1.00 C ATOM 770 OG1 THR A 51 4.329 24.189 13.812 1.00 1.00 O ATOM 771 CG2 THR A 51 4.295 21.860 13.187 1.00 1.00 C ATOM 0 H THR A 51 6.487 23.765 16.214 1.00 1.00 H new ATOM 0 HA THR A 51 3.855 22.452 15.814 1.00 1.00 H new ATOM 0 HB THR A 51 6.026 23.021 13.727 1.00 1.00 H new ATOM 0 HG1 THR A 51 4.383 24.429 12.863 1.00 1.00 H new ATOM 0 HG21 THR A 51 4.356 22.123 12.131 1.00 1.00 H new ATOM 0 HG22 THR A 51 4.792 20.904 13.352 1.00 1.00 H new ATOM 0 HG23 THR A 51 3.248 21.780 13.481 1.00 1.00 H new ATOM 779 N PHE A 52 4.853 20.180 16.029 1.00 1.00 N ATOM 780 CA PHE A 52 5.430 18.861 16.225 1.00 1.00 C ATOM 781 C PHE A 52 5.076 18.033 15.013 1.00 1.00 C ATOM 782 O PHE A 52 4.049 18.286 14.394 1.00 1.00 O ATOM 783 CB PHE A 52 4.816 18.196 17.458 1.00 1.00 C ATOM 784 CG PHE A 52 5.313 18.853 18.723 1.00 1.00 C ATOM 785 CD1 PHE A 52 4.651 19.969 19.247 1.00 1.00 C ATOM 786 CD2 PHE A 52 6.418 18.316 19.398 1.00 1.00 C ATOM 787 CE1 PHE A 52 5.099 20.553 20.440 1.00 1.00 C ATOM 788 CE2 PHE A 52 6.868 18.905 20.586 1.00 1.00 C ATOM 789 CZ PHE A 52 6.206 20.021 21.108 1.00 1.00 C ATOM 0 H PHE A 52 3.838 20.217 16.128 1.00 1.00 H new ATOM 0 HA PHE A 52 6.508 18.940 16.362 1.00 1.00 H new ATOM 0 HB2 PHE A 52 3.729 18.264 17.410 1.00 1.00 H new ATOM 0 HB3 PHE A 52 5.069 17.136 17.469 1.00 1.00 H new ATOM 0 HD1 PHE A 52 3.795 20.380 18.732 1.00 1.00 H new ATOM 0 HD2 PHE A 52 6.923 17.447 19.001 1.00 1.00 H new ATOM 0 HE1 PHE A 52 4.588 21.415 20.844 1.00 1.00 H new ATOM 0 HE2 PHE A 52 7.726 18.497 21.099 1.00 1.00 H new ATOM 0 HZ PHE A 52 6.550 20.472 22.027 1.00 1.00 H new ATOM 799 N THR A 53 5.888 17.049 14.654 1.00 1.00 N ATOM 800 CA THR A 53 5.541 16.214 13.507 1.00 1.00 C ATOM 801 C THR A 53 5.914 14.770 13.776 1.00 1.00 C ATOM 802 O THR A 53 6.941 14.497 14.405 1.00 1.00 O ATOM 803 CB THR A 53 6.238 16.685 12.219 1.00 1.00 C ATOM 804 OG1 THR A 53 7.520 16.093 12.134 1.00 1.00 O ATOM 805 CG2 THR A 53 6.372 18.208 12.207 1.00 1.00 C ATOM 0 H THR A 53 6.764 16.812 15.120 1.00 1.00 H new ATOM 0 HA THR A 53 4.464 16.300 13.363 1.00 1.00 H new ATOM 0 HB THR A 53 5.636 16.383 11.362 1.00 1.00 H new ATOM 0 HG1 THR A 53 7.964 16.391 11.313 1.00 1.00 H new ATOM 0 HG21 THR A 53 6.867 18.522 11.288 1.00 1.00 H new ATOM 0 HG22 THR A 53 5.382 18.661 12.259 1.00 1.00 H new ATOM 0 HG23 THR A 53 6.963 18.528 13.065 1.00 1.00 H new ATOM 813 N VAL A 54 5.130 13.838 13.231 1.00 1.00 N ATOM 814 CA VAL A 54 5.453 12.426 13.357 1.00 1.00 C ATOM 815 C VAL A 54 5.271 11.765 12.004 1.00 1.00 C ATOM 816 O VAL A 54 4.310 12.039 11.284 1.00 1.00 O ATOM 817 CB VAL A 54 4.606 11.754 14.434 1.00 1.00 C ATOM 818 CG1 VAL A 54 3.138 11.816 14.062 1.00 1.00 C ATOM 819 CG2 VAL A 54 5.041 10.290 14.595 1.00 1.00 C ATOM 0 H VAL A 54 4.279 14.037 12.706 1.00 1.00 H new ATOM 0 HA VAL A 54 6.490 12.316 13.673 1.00 1.00 H new ATOM 0 HB VAL A 54 4.751 12.280 15.377 1.00 1.00 H new ATOM 0 HG11 VAL A 54 2.545 11.333 14.839 1.00 1.00 H new ATOM 0 HG12 VAL A 54 2.831 12.857 13.966 1.00 1.00 H new ATOM 0 HG13 VAL A 54 2.981 11.302 13.114 1.00 1.00 H new ATOM 0 HG21 VAL A 54 4.434 9.813 15.365 1.00 1.00 H new ATOM 0 HG22 VAL A 54 4.907 9.764 13.650 1.00 1.00 H new ATOM 0 HG23 VAL A 54 6.091 10.252 14.885 1.00 1.00 H new ATOM 829 N THR A 55 6.227 10.924 11.653 1.00 1.00 N ATOM 830 CA THR A 55 6.219 10.245 10.372 1.00 1.00 C ATOM 831 C THR A 55 6.640 8.793 10.524 1.00 1.00 C ATOM 832 O THR A 55 7.727 8.502 11.019 1.00 1.00 O ATOM 833 CB THR A 55 7.193 10.956 9.448 1.00 1.00 C ATOM 834 OG1 THR A 55 6.821 12.320 9.317 1.00 1.00 O ATOM 835 CG2 THR A 55 7.182 10.285 8.081 1.00 1.00 C ATOM 0 H THR A 55 7.026 10.694 12.244 1.00 1.00 H new ATOM 0 HA THR A 55 5.209 10.266 9.962 1.00 1.00 H new ATOM 0 HB THR A 55 8.197 10.899 9.869 1.00 1.00 H new ATOM 0 HG1 THR A 55 7.452 12.776 8.722 1.00 1.00 H new ATOM 0 HG21 THR A 55 7.881 10.796 7.419 1.00 1.00 H new ATOM 0 HG22 THR A 55 7.478 9.241 8.186 1.00 1.00 H new ATOM 0 HG23 THR A 55 6.179 10.337 7.658 1.00 1.00 H new ATOM 843 N GLU A 56 5.785 7.887 10.071 1.00 1.00 N ATOM 844 CA GLU A 56 6.069 6.463 10.131 1.00 1.00 C ATOM 845 C GLU A 56 6.667 5.995 8.806 1.00 1.00 C ATOM 846 O GLU A 56 6.163 6.409 7.777 1.00 1.00 O ATOM 847 CB GLU A 56 4.775 5.699 10.399 1.00 1.00 C ATOM 848 CG GLU A 56 3.919 6.446 11.423 1.00 1.00 C ATOM 849 CD GLU A 56 2.577 5.740 11.545 1.00 1.00 C ATOM 850 OE1 GLU A 56 1.736 5.959 10.690 1.00 1.00 O ATOM 851 OE2 GLU A 56 2.411 4.988 12.489 1.00 1.00 O ATOM 852 OXT GLU A 56 7.620 5.233 8.843 1.00 1.00 O ATOM 0 H GLU A 56 4.883 8.117 9.655 1.00 1.00 H new ATOM 0 HA GLU A 56 6.782 6.274 10.933 1.00 1.00 H new ATOM 0 HB2 GLU A 56 4.218 5.576 9.470 1.00 1.00 H new ATOM 0 HB3 GLU A 56 5.005 4.699 10.767 1.00 1.00 H new ATOM 0 HG2 GLU A 56 4.422 6.471 12.390 1.00 1.00 H new ATOM 0 HG3 GLU A 56 3.775 7.481 11.112 1.00 1.00 H new