USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 616 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 154:sc= -0.123 (180deg=-1.92) USER MOD Single : A 1 MET N :NH3+ 178:sc= 0.0743 (180deg=0.0726) USER MOD Single : A 6 THR OG1 : rot 111:sc= -0.831 USER MOD Single : A 9 LYS NZ :NH3+ -162:sc= -0.0135 (180deg=-0.22) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0048 USER MOD Single : A 11 SER OG : rot -70:sc= 0.468 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.14) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.989 K(o=-0.99,f=-0.48) USER MOD Single : A 39 HIS : no HE2:sc= -1.86 K(o=-1.9,f=-3.9!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0.0141 USER MOD Single : A 48 ASN : amide:sc= -1.73! C(o=-1.7!,f=-6.2!) USER MOD Single : A 49 ASN : amide:sc= -3.69! K(o=-3.7!,f=-2.3) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -98:sc= -1.09! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 64 SER OG : rot 76:sc= 0.302 USER MOD Single : A 68 GLN : amide:sc= -0.0142 K(o=-0.014,f=-1.6!) USER MOD Single : A 70 THR OG1 : rot 77:sc= 0.296 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.851 4.195 -0.499 1.00 0.00 N ATOM 2 CA MET A 1 -13.072 2.922 -0.468 1.00 0.00 C ATOM 3 C MET A 1 -11.991 3.025 0.603 1.00 0.00 C ATOM 4 O MET A 1 -11.374 4.080 0.762 1.00 0.00 O ATOM 5 CB MET A 1 -12.430 2.692 -1.846 1.00 0.00 C ATOM 6 CG MET A 1 -13.448 2.073 -2.805 1.00 0.00 C ATOM 7 SD MET A 1 -12.865 2.251 -4.511 1.00 0.00 S ATOM 8 CE MET A 1 -11.238 1.486 -4.298 1.00 0.00 C ATOM 0 H1 MET A 1 -14.568 4.145 -1.250 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.320 4.338 0.418 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.208 4.991 -0.687 1.00 0.00 H new ATOM 0 HA MET A 1 -13.729 2.084 -0.235 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.068 3.638 -2.249 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.566 2.035 -1.748 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.592 1.019 -2.568 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.416 2.561 -2.688 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.901 1.076 -5.250 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.526 2.236 -3.954 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.306 0.685 -3.562 1.00 0.00 H new ATOM 20 N ARG A 2 -11.751 1.925 1.329 1.00 0.00 N ATOM 21 CA ARG A 2 -10.720 1.912 2.376 1.00 0.00 C ATOM 22 C ARG A 2 -9.724 0.784 2.114 1.00 0.00 C ATOM 23 O ARG A 2 -10.111 -0.353 1.843 1.00 0.00 O ATOM 24 CB ARG A 2 -11.364 1.727 3.756 1.00 0.00 C ATOM 25 CG ARG A 2 -10.281 1.747 4.843 1.00 0.00 C ATOM 26 CD ARG A 2 -10.932 1.599 6.219 1.00 0.00 C ATOM 27 NE ARG A 2 -9.916 1.653 7.265 1.00 0.00 N ATOM 28 CZ ARG A 2 -10.251 1.820 8.541 1.00 0.00 C ATOM 29 NH1 ARG A 2 -11.490 1.654 8.917 1.00 0.00 N ATOM 30 NH2 ARG A 2 -9.343 2.155 9.416 1.00 0.00 N ATOM 0 H ARG A 2 -12.250 1.043 1.213 1.00 0.00 H new ATOM 0 HA ARG A 2 -10.193 2.866 2.359 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -12.089 2.520 3.938 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -11.908 0.783 3.790 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -9.570 0.938 4.677 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -9.719 2.680 4.794 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -11.663 2.393 6.371 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -11.472 0.654 6.274 1.00 0.00 H new ATOM 0 HE ARG A 2 -8.932 1.561 7.013 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -12.201 1.396 8.232 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -11.747 1.782 9.896 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.376 2.289 9.121 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -9.600 2.283 10.395 1.00 0.00 H new ATOM 44 N ILE A 3 -8.442 1.117 2.186 1.00 0.00 N ATOM 45 CA ILE A 3 -7.370 0.145 1.946 1.00 0.00 C ATOM 46 C ILE A 3 -6.518 -0.023 3.202 1.00 0.00 C ATOM 47 O ILE A 3 -6.015 0.960 3.744 1.00 0.00 O ATOM 48 CB ILE A 3 -6.469 0.652 0.802 1.00 0.00 C ATOM 49 CG1 ILE A 3 -7.254 0.685 -0.543 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.256 -0.281 0.669 1.00 0.00 C ATOM 51 CD1 ILE A 3 -7.835 2.083 -0.802 1.00 0.00 C ATOM 0 H ILE A 3 -8.113 2.056 2.409 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.817 -0.813 1.681 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.138 1.665 1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.592 0.404 -1.362 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.059 -0.049 -0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.613 0.071 -0.138 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.695 -0.284 1.604 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.597 -1.292 0.447 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.379 2.082 -1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.514 2.350 0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.025 2.810 -0.851 1.00 0.00 H new ATOM 63 N GLU A 4 -6.357 -1.266 3.667 1.00 0.00 N ATOM 64 CA GLU A 4 -5.554 -1.532 4.871 1.00 0.00 C ATOM 65 C GLU A 4 -4.443 -2.550 4.601 1.00 0.00 C ATOM 66 O GLU A 4 -4.682 -3.622 4.042 1.00 0.00 O ATOM 67 CB GLU A 4 -6.460 -2.031 5.999 1.00 0.00 C ATOM 68 CG GLU A 4 -7.496 -0.953 6.331 1.00 0.00 C ATOM 69 CD GLU A 4 -8.407 -1.436 7.455 1.00 0.00 C ATOM 70 OE1 GLU A 4 -8.470 -2.635 7.666 1.00 0.00 O ATOM 71 OE2 GLU A 4 -9.026 -0.598 8.090 1.00 0.00 O ATOM 0 H GLU A 4 -6.765 -2.096 3.237 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.079 -0.597 5.168 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.960 -2.952 5.699 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.865 -2.264 6.882 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.993 -0.033 6.629 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.088 -0.721 5.446 1.00 0.00 H new ATOM 78 N VAL A 5 -3.220 -2.185 4.995 1.00 0.00 N ATOM 79 CA VAL A 5 -2.050 -3.053 4.790 1.00 0.00 C ATOM 80 C VAL A 5 -1.389 -3.417 6.122 1.00 0.00 C ATOM 81 O VAL A 5 -1.129 -2.549 6.952 1.00 0.00 O ATOM 82 CB VAL A 5 -1.025 -2.342 3.904 1.00 0.00 C ATOM 83 CG1 VAL A 5 0.087 -3.321 3.519 1.00 0.00 C ATOM 84 CG2 VAL A 5 -1.711 -1.805 2.640 1.00 0.00 C ATOM 0 H VAL A 5 -3.011 -1.299 5.456 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.393 -3.968 4.308 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.592 -1.506 4.453 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.816 -2.813 2.888 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.579 -3.686 4.421 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.341 -4.162 2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.976 -1.300 2.014 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.152 -2.633 2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.493 -1.100 2.922 1.00 0.00 H new ATOM 94 N THR A 6 -1.106 -4.714 6.313 1.00 0.00 N ATOM 95 CA THR A 6 -0.454 -5.192 7.541 1.00 0.00 C ATOM 96 C THR A 6 0.861 -5.862 7.198 1.00 0.00 C ATOM 97 O THR A 6 0.946 -6.671 6.273 1.00 0.00 O ATOM 98 CB THR A 6 -1.350 -6.187 8.280 1.00 0.00 C ATOM 99 OG1 THR A 6 -1.298 -7.443 7.622 1.00 0.00 O ATOM 100 CG2 THR A 6 -2.794 -5.675 8.301 1.00 0.00 C ATOM 0 H THR A 6 -1.317 -5.447 5.636 1.00 0.00 H new ATOM 0 HA THR A 6 -0.273 -4.333 8.188 1.00 0.00 H new ATOM 0 HB THR A 6 -0.998 -6.296 9.306 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.822 -8.088 8.186 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.426 -6.389 8.829 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.831 -4.712 8.810 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.154 -5.559 7.279 1.00 0.00 H new ATOM 108 N ILE A 7 1.880 -5.520 7.967 1.00 0.00 N ATOM 109 CA ILE A 7 3.215 -6.071 7.791 1.00 0.00 C ATOM 110 C ILE A 7 3.617 -6.859 9.038 1.00 0.00 C ATOM 111 O ILE A 7 3.443 -6.386 10.162 1.00 0.00 O ATOM 112 CB ILE A 7 4.178 -4.912 7.564 1.00 0.00 C ATOM 113 CG1 ILE A 7 3.993 -4.374 6.140 1.00 0.00 C ATOM 114 CG2 ILE A 7 5.628 -5.381 7.750 1.00 0.00 C ATOM 115 CD1 ILE A 7 4.722 -3.037 5.990 1.00 0.00 C ATOM 0 H ILE A 7 1.806 -4.851 8.733 1.00 0.00 H new ATOM 0 HA ILE A 7 3.240 -6.748 6.937 1.00 0.00 H new ATOM 0 HB ILE A 7 3.967 -4.125 8.288 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.380 -5.092 5.417 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.932 -4.246 5.925 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.305 -4.543 7.585 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.760 -5.761 8.763 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.849 -6.173 7.034 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.587 -2.660 4.976 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.315 -2.319 6.701 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.785 -3.178 6.186 1.00 0.00 H new ATOM 127 N ALA A 8 4.151 -8.058 8.837 1.00 0.00 N ATOM 128 CA ALA A 8 4.565 -8.892 9.958 1.00 0.00 C ATOM 129 C ALA A 8 5.706 -8.235 10.720 1.00 0.00 C ATOM 130 O ALA A 8 6.687 -7.760 10.149 1.00 0.00 O ATOM 131 CB ALA A 8 5.016 -10.256 9.438 1.00 0.00 C ATOM 0 H ALA A 8 4.306 -8.471 7.917 1.00 0.00 H new ATOM 0 HA ALA A 8 3.719 -9.016 10.634 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.326 -10.881 10.276 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.190 -10.736 8.913 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.854 -10.125 8.753 1.00 0.00 H new ATOM 137 N LYS A 9 5.518 -8.209 12.034 1.00 0.00 N ATOM 138 CA LYS A 9 6.471 -7.607 12.951 1.00 0.00 C ATOM 139 C LYS A 9 7.833 -8.288 12.853 1.00 0.00 C ATOM 140 O LYS A 9 8.861 -7.675 13.141 1.00 0.00 O ATOM 141 CB LYS A 9 5.933 -7.654 14.390 1.00 0.00 C ATOM 142 CG LYS A 9 6.932 -7.019 15.377 1.00 0.00 C ATOM 143 CD LYS A 9 6.355 -7.088 16.792 1.00 0.00 C ATOM 144 CE LYS A 9 7.434 -6.692 17.803 1.00 0.00 C ATOM 145 NZ LYS A 9 8.417 -7.803 17.945 1.00 0.00 N ATOM 0 H LYS A 9 4.698 -8.606 12.492 1.00 0.00 H new ATOM 0 HA LYS A 9 6.604 -6.563 12.669 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.980 -7.127 14.443 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.742 -8.688 14.676 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.886 -7.544 15.335 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.126 -5.983 15.101 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.497 -6.421 16.879 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.997 -8.096 17.002 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.940 -5.785 17.473 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.979 -6.470 18.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.959 -7.677 18.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.912 -8.712 17.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.068 -7.797 17.134 1.00 0.00 H new ATOM 159 N THR A 10 7.843 -9.548 12.420 1.00 0.00 N ATOM 160 CA THR A 10 9.091 -10.285 12.259 1.00 0.00 C ATOM 161 C THR A 10 9.962 -9.580 11.225 1.00 0.00 C ATOM 162 O THR A 10 11.141 -9.902 11.075 1.00 0.00 O ATOM 163 CB THR A 10 8.798 -11.715 11.793 1.00 0.00 C ATOM 164 OG1 THR A 10 7.900 -11.679 10.693 1.00 0.00 O ATOM 165 CG2 THR A 10 8.176 -12.517 12.941 1.00 0.00 C ATOM 0 H THR A 10 7.005 -10.076 12.176 1.00 0.00 H new ATOM 0 HA THR A 10 9.613 -10.323 13.215 1.00 0.00 H new ATOM 0 HB THR A 10 9.728 -12.193 11.487 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.713 -12.593 10.393 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.969 -13.533 12.605 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.869 -12.547 13.782 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.246 -12.042 13.254 1.00 0.00 H new ATOM 173 N SER A 11 9.380 -8.613 10.515 1.00 0.00 N ATOM 174 CA SER A 11 10.113 -7.855 9.491 1.00 0.00 C ATOM 175 C SER A 11 10.080 -6.358 9.808 1.00 0.00 C ATOM 176 O SER A 11 9.272 -5.619 9.244 1.00 0.00 O ATOM 177 CB SER A 11 9.471 -8.087 8.122 1.00 0.00 C ATOM 178 OG SER A 11 9.965 -7.123 7.202 1.00 0.00 O ATOM 0 H SER A 11 8.405 -8.334 10.627 1.00 0.00 H new ATOM 0 HA SER A 11 11.148 -8.197 9.481 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.696 -9.093 7.768 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.386 -8.011 8.199 1.00 0.00 H new ATOM 0 HG SER A 11 9.605 -6.240 7.429 1.00 0.00 H new ATOM 184 N PRO A 12 10.932 -5.895 10.695 1.00 0.00 N ATOM 185 CA PRO A 12 10.992 -4.460 11.085 1.00 0.00 C ATOM 186 C PRO A 12 11.605 -3.553 10.010 1.00 0.00 C ATOM 187 O PRO A 12 12.666 -3.850 9.462 1.00 0.00 O ATOM 188 CB PRO A 12 11.784 -4.432 12.411 1.00 0.00 C ATOM 189 CG PRO A 12 12.137 -5.868 12.721 1.00 0.00 C ATOM 190 CD PRO A 12 11.938 -6.672 11.430 1.00 0.00 C ATOM 0 HA PRO A 12 9.989 -4.052 11.205 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.682 -3.822 12.315 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.187 -3.996 13.212 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.168 -5.945 13.067 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.503 -6.257 13.518 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.866 -6.762 10.866 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.591 -7.684 11.637 1.00 0.00 H new ATOM 198 N LEU A 13 10.937 -2.425 9.742 1.00 0.00 N ATOM 199 CA LEU A 13 11.420 -1.446 8.767 1.00 0.00 C ATOM 200 C LEU A 13 11.941 -0.218 9.529 1.00 0.00 C ATOM 201 O LEU A 13 11.440 0.085 10.612 1.00 0.00 O ATOM 202 CB LEU A 13 10.277 -1.044 7.824 1.00 0.00 C ATOM 203 CG LEU A 13 9.533 -2.297 7.330 1.00 0.00 C ATOM 204 CD1 LEU A 13 8.481 -1.906 6.283 1.00 0.00 C ATOM 205 CD2 LEU A 13 10.522 -3.286 6.695 1.00 0.00 C ATOM 0 H LEU A 13 10.057 -2.169 10.190 1.00 0.00 H new ATOM 0 HA LEU A 13 12.224 -1.875 8.168 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.584 -0.381 8.342 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.674 -0.489 6.974 1.00 0.00 H new ATOM 0 HG LEU A 13 9.045 -2.766 8.185 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.960 -2.800 5.940 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.764 -1.216 6.728 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.971 -1.424 5.437 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.983 -4.168 6.350 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.020 -2.811 5.850 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.266 -3.582 7.435 1.00 0.00 H new ATOM 217 N PRO A 14 12.943 0.473 9.031 1.00 0.00 N ATOM 218 CA PRO A 14 13.516 1.648 9.751 1.00 0.00 C ATOM 219 C PRO A 14 12.435 2.613 10.259 1.00 0.00 C ATOM 220 O PRO A 14 11.349 2.720 9.694 1.00 0.00 O ATOM 221 CB PRO A 14 14.473 2.321 8.745 1.00 0.00 C ATOM 222 CG PRO A 14 14.390 1.520 7.462 1.00 0.00 C ATOM 223 CD PRO A 14 13.642 0.212 7.766 1.00 0.00 C ATOM 0 HA PRO A 14 14.041 1.336 10.654 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.186 3.358 8.573 1.00 0.00 H new ATOM 0 HB3 PRO A 14 15.493 2.332 9.129 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.868 2.087 6.692 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.389 1.308 7.080 1.00 0.00 H new ATOM 0 HD2 PRO A 14 12.941 -0.039 6.970 1.00 0.00 H new ATOM 0 HD3 PRO A 14 14.332 -0.627 7.859 1.00 0.00 H new ATOM 231 N ALA A 15 12.774 3.277 11.366 1.00 0.00 N ATOM 232 CA ALA A 15 11.890 4.228 12.044 1.00 0.00 C ATOM 233 C ALA A 15 11.429 5.367 11.131 1.00 0.00 C ATOM 234 O ALA A 15 11.542 6.537 11.495 1.00 0.00 O ATOM 235 CB ALA A 15 12.642 4.832 13.227 1.00 0.00 C ATOM 0 H ALA A 15 13.680 3.168 11.822 1.00 0.00 H new ATOM 0 HA ALA A 15 11.003 3.680 12.361 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.997 5.543 13.743 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.933 4.039 13.916 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.534 5.346 12.867 1.00 0.00 H new ATOM 241 N GLY A 16 10.913 5.034 9.957 1.00 0.00 N ATOM 242 CA GLY A 16 10.447 6.056 9.028 1.00 0.00 C ATOM 243 C GLY A 16 9.858 5.424 7.776 1.00 0.00 C ATOM 244 O GLY A 16 9.184 6.084 6.985 1.00 0.00 O ATOM 0 H GLY A 16 10.806 4.075 9.626 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.696 6.679 9.513 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.275 6.710 8.755 1.00 0.00 H new ATOM 248 N ALA A 17 10.176 4.150 7.582 1.00 0.00 N ATOM 249 CA ALA A 17 9.741 3.434 6.393 1.00 0.00 C ATOM 250 C ALA A 17 8.234 3.155 6.331 1.00 0.00 C ATOM 251 O ALA A 17 7.633 3.273 5.262 1.00 0.00 O ATOM 252 CB ALA A 17 10.562 2.149 6.216 1.00 0.00 C ATOM 0 H ALA A 17 10.732 3.594 8.232 1.00 0.00 H new ATOM 0 HA ALA A 17 9.930 4.103 5.553 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.226 1.623 5.322 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.617 2.403 6.113 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.427 1.508 7.087 1.00 0.00 H new ATOM 258 N ILE A 18 7.616 2.798 7.449 1.00 0.00 N ATOM 259 CA ILE A 18 6.180 2.532 7.436 1.00 0.00 C ATOM 260 C ILE A 18 5.435 3.787 6.987 1.00 0.00 C ATOM 261 O ILE A 18 4.599 3.739 6.084 1.00 0.00 O ATOM 262 CB ILE A 18 5.713 2.116 8.840 1.00 0.00 C ATOM 263 CG1 ILE A 18 6.282 0.723 9.197 1.00 0.00 C ATOM 264 CG2 ILE A 18 4.179 2.094 8.900 1.00 0.00 C ATOM 265 CD1 ILE A 18 5.399 -0.405 8.639 1.00 0.00 C ATOM 0 H ILE A 18 8.070 2.687 8.356 1.00 0.00 H new ATOM 0 HA ILE A 18 5.968 1.720 6.740 1.00 0.00 H new ATOM 0 HB ILE A 18 6.082 2.842 9.565 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.292 0.628 8.798 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.357 0.626 10.280 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.858 1.798 9.899 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.792 3.087 8.674 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.797 1.381 8.170 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.828 -1.370 8.908 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.396 -0.324 9.059 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.345 -0.322 7.553 1.00 0.00 H new ATOM 277 N ASP A 19 5.765 4.912 7.612 1.00 0.00 N ATOM 278 CA ASP A 19 5.136 6.176 7.250 1.00 0.00 C ATOM 279 C ASP A 19 5.413 6.495 5.784 1.00 0.00 C ATOM 280 O ASP A 19 4.535 7.000 5.085 1.00 0.00 O ATOM 281 CB ASP A 19 5.600 7.317 8.161 1.00 0.00 C ATOM 282 CG ASP A 19 4.931 7.201 9.527 1.00 0.00 C ATOM 283 OD1 ASP A 19 3.895 6.560 9.605 1.00 0.00 O ATOM 284 OD2 ASP A 19 5.462 7.754 10.475 1.00 0.00 O ATOM 0 H ASP A 19 6.454 4.975 8.361 1.00 0.00 H new ATOM 0 HA ASP A 19 4.060 6.074 7.389 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.684 7.285 8.274 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.355 8.278 7.708 1.00 0.00 H new ATOM 289 N ALA A 20 6.624 6.208 5.310 1.00 0.00 N ATOM 290 CA ALA A 20 6.944 6.493 3.917 1.00 0.00 C ATOM 291 C ALA A 20 6.130 5.609 2.964 1.00 0.00 C ATOM 292 O ALA A 20 5.625 6.083 1.945 1.00 0.00 O ATOM 293 CB ALA A 20 8.446 6.320 3.660 1.00 0.00 C ATOM 0 H ALA A 20 7.379 5.790 5.854 1.00 0.00 H new ATOM 0 HA ALA A 20 6.675 7.531 3.721 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.664 6.537 2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.005 7.005 4.297 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.738 5.294 3.886 1.00 0.00 H new ATOM 299 N LEU A 21 5.998 4.331 3.310 1.00 0.00 N ATOM 300 CA LEU A 21 5.245 3.385 2.508 1.00 0.00 C ATOM 301 C LEU A 21 3.791 3.818 2.375 1.00 0.00 C ATOM 302 O LEU A 21 3.233 3.843 1.278 1.00 0.00 O ATOM 303 CB LEU A 21 5.359 2.004 3.175 1.00 0.00 C ATOM 304 CG LEU A 21 4.477 0.966 2.475 1.00 0.00 C ATOM 305 CD1 LEU A 21 4.956 0.722 1.037 1.00 0.00 C ATOM 306 CD2 LEU A 21 4.537 -0.357 3.250 1.00 0.00 C ATOM 0 H LEU A 21 6.410 3.928 4.152 1.00 0.00 H new ATOM 0 HA LEU A 21 5.651 3.342 1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.398 1.674 3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.070 2.080 4.223 1.00 0.00 H new ATOM 0 HG LEU A 21 3.455 1.344 2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.314 -0.019 0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.912 1.655 0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.983 0.356 1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.910 -1.098 2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.566 -0.714 3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.177 -0.200 4.267 1.00 0.00 H new ATOM 318 N ALA A 22 3.185 4.162 3.509 1.00 0.00 N ATOM 319 CA ALA A 22 1.798 4.598 3.524 1.00 0.00 C ATOM 320 C ALA A 22 1.648 5.840 2.657 1.00 0.00 C ATOM 321 O ALA A 22 0.644 5.991 1.961 1.00 0.00 O ATOM 322 CB ALA A 22 1.337 4.895 4.954 1.00 0.00 C ATOM 0 H ALA A 22 3.634 4.146 4.425 1.00 0.00 H new ATOM 0 HA ALA A 22 1.174 3.798 3.126 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.297 5.220 4.941 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.428 3.994 5.560 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.958 5.683 5.380 1.00 0.00 H new ATOM 328 N GLY A 23 2.636 6.713 2.673 1.00 0.00 N ATOM 329 CA GLY A 23 2.589 7.917 1.855 1.00 0.00 C ATOM 330 C GLY A 23 2.724 7.587 0.372 1.00 0.00 C ATOM 331 O GLY A 23 1.979 8.123 -0.446 1.00 0.00 O ATOM 0 H GLY A 23 3.479 6.616 3.239 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.649 8.440 2.029 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.390 8.593 2.153 1.00 0.00 H new ATOM 335 N GLU A 24 3.665 6.719 0.010 1.00 0.00 N ATOM 336 CA GLU A 24 3.829 6.385 -1.400 1.00 0.00 C ATOM 337 C GLU A 24 2.593 5.652 -1.926 1.00 0.00 C ATOM 338 O GLU A 24 2.156 5.893 -3.052 1.00 0.00 O ATOM 339 CB GLU A 24 5.099 5.534 -1.610 1.00 0.00 C ATOM 340 CG GLU A 24 5.631 5.749 -3.030 1.00 0.00 C ATOM 341 CD GLU A 24 4.572 5.344 -4.050 1.00 0.00 C ATOM 342 OE1 GLU A 24 3.885 4.366 -3.806 1.00 0.00 O ATOM 343 OE2 GLU A 24 4.457 6.023 -5.057 1.00 0.00 O ATOM 0 H GLU A 24 4.305 6.248 0.649 1.00 0.00 H new ATOM 0 HA GLU A 24 3.941 7.312 -1.963 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.860 5.811 -0.880 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.873 4.480 -1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.902 6.795 -3.171 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.537 5.162 -3.181 1.00 0.00 H new ATOM 350 N LEU A 25 2.038 4.756 -1.118 1.00 0.00 N ATOM 351 CA LEU A 25 0.863 4.001 -1.544 1.00 0.00 C ATOM 352 C LEU A 25 -0.360 4.899 -1.753 1.00 0.00 C ATOM 353 O LEU A 25 -1.112 4.713 -2.709 1.00 0.00 O ATOM 354 CB LEU A 25 0.521 2.903 -0.529 1.00 0.00 C ATOM 355 CG LEU A 25 1.578 1.783 -0.555 1.00 0.00 C ATOM 356 CD1 LEU A 25 1.333 0.848 0.634 1.00 0.00 C ATOM 357 CD2 LEU A 25 1.486 0.969 -1.867 1.00 0.00 C ATOM 0 H LEU A 25 2.374 4.536 -0.180 1.00 0.00 H new ATOM 0 HA LEU A 25 1.117 3.547 -2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.464 3.332 0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.461 2.487 -0.754 1.00 0.00 H new ATOM 0 HG LEU A 25 2.570 2.231 -0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.075 0.050 0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.414 1.412 1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.335 0.416 0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.242 0.184 -1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.496 0.519 -1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.654 1.630 -2.718 1.00 0.00 H new ATOM 369 N SER A 26 -0.563 5.861 -0.859 1.00 0.00 N ATOM 370 CA SER A 26 -1.711 6.759 -0.972 1.00 0.00 C ATOM 371 C SER A 26 -1.660 7.564 -2.264 1.00 0.00 C ATOM 372 O SER A 26 -2.669 7.683 -2.959 1.00 0.00 O ATOM 373 CB SER A 26 -1.749 7.714 0.222 1.00 0.00 C ATOM 374 OG SER A 26 -2.891 8.554 0.116 1.00 0.00 O ATOM 0 H SER A 26 0.042 6.039 -0.058 1.00 0.00 H new ATOM 0 HA SER A 26 -2.613 6.147 -0.983 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.784 7.149 1.153 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.841 8.317 0.249 1.00 0.00 H new ATOM 0 HG SER A 26 -2.919 9.166 0.881 1.00 0.00 H new ATOM 380 N ARG A 27 -0.497 8.111 -2.597 1.00 0.00 N ATOM 381 CA ARG A 27 -0.391 8.884 -3.826 1.00 0.00 C ATOM 382 C ARG A 27 -0.740 7.993 -5.011 1.00 0.00 C ATOM 383 O ARG A 27 -1.424 8.420 -5.942 1.00 0.00 O ATOM 384 CB ARG A 27 1.023 9.442 -4.011 1.00 0.00 C ATOM 385 CG ARG A 27 1.294 10.539 -2.981 1.00 0.00 C ATOM 386 CD ARG A 27 2.710 11.080 -3.189 1.00 0.00 C ATOM 387 NE ARG A 27 3.028 12.083 -2.177 1.00 0.00 N ATOM 388 CZ ARG A 27 4.122 12.832 -2.276 1.00 0.00 C ATOM 389 NH1 ARG A 27 4.805 12.845 -3.388 1.00 0.00 N ATOM 390 NH2 ARG A 27 4.512 13.553 -1.260 1.00 0.00 N ATOM 0 H ARG A 27 0.362 8.037 -2.051 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.084 9.723 -3.765 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.755 8.642 -3.903 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.135 9.843 -5.018 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.565 11.342 -3.086 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.187 10.142 -1.971 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.429 10.262 -3.138 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.796 11.518 -4.183 1.00 0.00 H new ATOM 0 HE ARG A 27 2.402 12.211 -1.382 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.499 12.281 -4.181 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.644 13.420 -3.464 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.978 13.541 -0.391 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.351 14.128 -1.335 1.00 0.00 H new ATOM 404 N ARG A 28 -0.283 6.750 -4.961 1.00 0.00 N ATOM 405 CA ARG A 28 -0.567 5.798 -6.026 1.00 0.00 C ATOM 406 C ARG A 28 -2.069 5.522 -6.134 1.00 0.00 C ATOM 407 O ARG A 28 -2.615 5.412 -7.232 1.00 0.00 O ATOM 408 CB ARG A 28 0.170 4.483 -5.749 1.00 0.00 C ATOM 409 CG ARG A 28 1.690 4.658 -5.927 1.00 0.00 C ATOM 410 CD ARG A 28 2.075 4.605 -7.414 1.00 0.00 C ATOM 411 NE ARG A 28 3.525 4.519 -7.550 1.00 0.00 N ATOM 412 CZ ARG A 28 4.106 4.496 -8.746 1.00 0.00 C ATOM 413 NH1 ARG A 28 4.165 3.380 -9.422 1.00 0.00 N ATOM 414 NH2 ARG A 28 4.619 5.587 -9.243 1.00 0.00 N ATOM 0 H ARG A 28 0.283 6.378 -4.199 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.225 6.228 -6.967 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.045 4.147 -4.735 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.193 3.709 -6.425 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.004 5.610 -5.499 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.217 3.875 -5.382 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.605 3.744 -7.890 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.705 5.493 -7.926 1.00 0.00 H new ATOM 0 HE ARG A 28 4.104 4.476 -6.712 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.765 2.526 -9.033 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.611 3.362 -10.339 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.575 6.458 -8.714 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.065 5.569 -10.160 1.00 0.00 H new ATOM 428 N ILE A 29 -2.722 5.400 -4.976 1.00 0.00 N ATOM 429 CA ILE A 29 -4.157 5.120 -4.932 1.00 0.00 C ATOM 430 C ILE A 29 -4.971 6.267 -5.530 1.00 0.00 C ATOM 431 O ILE A 29 -5.884 6.051 -6.325 1.00 0.00 O ATOM 432 CB ILE A 29 -4.601 4.863 -3.478 1.00 0.00 C ATOM 433 CG1 ILE A 29 -3.999 3.530 -2.972 1.00 0.00 C ATOM 434 CG2 ILE A 29 -6.137 4.815 -3.388 1.00 0.00 C ATOM 435 CD1 ILE A 29 -4.838 2.317 -3.421 1.00 0.00 C ATOM 0 H ILE A 29 -2.281 5.490 -4.061 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.341 4.229 -5.532 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.240 5.679 -2.851 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.980 3.426 -3.346 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.939 3.548 -1.884 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.435 4.633 -2.356 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.551 5.766 -3.723 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.514 4.012 -4.022 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.382 1.401 -3.046 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.850 2.408 -3.025 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.876 2.284 -4.510 1.00 0.00 H new ATOM 447 N GLN A 30 -4.630 7.479 -5.134 1.00 0.00 N ATOM 448 CA GLN A 30 -5.328 8.663 -5.623 1.00 0.00 C ATOM 449 C GLN A 30 -5.183 8.813 -7.132 1.00 0.00 C ATOM 450 O GLN A 30 -6.150 9.177 -7.801 1.00 0.00 O ATOM 451 CB GLN A 30 -4.794 9.908 -4.906 1.00 0.00 C ATOM 452 CG GLN A 30 -5.628 11.138 -5.280 1.00 0.00 C ATOM 453 CD GLN A 30 -7.020 11.033 -4.671 1.00 0.00 C ATOM 454 OE1 GLN A 30 -7.170 11.073 -3.450 1.00 0.00 O ATOM 455 NE2 GLN A 30 -8.055 10.901 -5.455 1.00 0.00 N ATOM 0 H GLN A 30 -3.875 7.674 -4.476 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.390 8.549 -5.407 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.823 9.755 -3.827 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.751 10.072 -5.176 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.135 12.043 -4.925 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.702 11.220 -6.364 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.928 10.868 -6.466 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.991 10.831 -5.056 1.00 0.00 H new ATOM 464 N TYR A 31 -4.003 8.550 -7.687 1.00 0.00 N ATOM 465 CA TYR A 31 -3.822 8.686 -9.126 1.00 0.00 C ATOM 466 C TYR A 31 -4.653 7.632 -9.862 1.00 0.00 C ATOM 467 O TYR A 31 -5.243 7.916 -10.906 1.00 0.00 O ATOM 468 CB TYR A 31 -2.344 8.554 -9.494 1.00 0.00 C ATOM 469 CG TYR A 31 -2.160 8.784 -10.976 1.00 0.00 C ATOM 470 CD1 TYR A 31 -2.317 7.723 -11.877 1.00 0.00 C ATOM 471 CD2 TYR A 31 -1.822 10.058 -11.448 1.00 0.00 C ATOM 472 CE1 TYR A 31 -2.136 7.937 -13.249 1.00 0.00 C ATOM 473 CE2 TYR A 31 -1.642 10.272 -12.820 1.00 0.00 C ATOM 474 CZ TYR A 31 -1.799 9.213 -13.720 1.00 0.00 C ATOM 475 OH TYR A 31 -1.620 9.424 -15.072 1.00 0.00 O ATOM 0 H TYR A 31 -3.175 8.248 -7.174 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.164 9.676 -9.430 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.754 9.276 -8.929 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.980 7.563 -9.223 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.578 6.740 -11.514 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.700 10.876 -10.754 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.256 7.119 -13.944 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.382 11.255 -13.183 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.391 10.364 -15.229 1.00 0.00 H new ATOM 485 N ALA A 32 -4.687 6.418 -9.325 1.00 0.00 N ATOM 486 CA ALA A 32 -5.439 5.328 -9.947 1.00 0.00 C ATOM 487 C ALA A 32 -6.951 5.532 -9.830 1.00 0.00 C ATOM 488 O ALA A 32 -7.704 5.204 -10.746 1.00 0.00 O ATOM 489 CB ALA A 32 -5.054 4.005 -9.281 1.00 0.00 C ATOM 0 H ALA A 32 -4.205 6.161 -8.463 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.187 5.312 -11.007 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.612 3.190 -9.742 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.986 3.831 -9.409 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.290 4.051 -8.218 1.00 0.00 H new ATOM 495 N PHE A 33 -7.382 6.058 -8.683 1.00 0.00 N ATOM 496 CA PHE A 33 -8.808 6.298 -8.418 1.00 0.00 C ATOM 497 C PHE A 33 -9.066 7.793 -8.191 1.00 0.00 C ATOM 498 O PHE A 33 -9.022 8.265 -7.056 1.00 0.00 O ATOM 499 CB PHE A 33 -9.226 5.515 -7.170 1.00 0.00 C ATOM 500 CG PHE A 33 -9.037 4.036 -7.421 1.00 0.00 C ATOM 501 CD1 PHE A 33 -7.792 3.440 -7.186 1.00 0.00 C ATOM 502 CD2 PHE A 33 -10.104 3.261 -7.892 1.00 0.00 C ATOM 503 CE1 PHE A 33 -7.613 2.072 -7.422 1.00 0.00 C ATOM 504 CE2 PHE A 33 -9.925 1.891 -8.127 1.00 0.00 C ATOM 505 CZ PHE A 33 -8.680 1.298 -7.893 1.00 0.00 C ATOM 0 H PHE A 33 -6.764 6.328 -7.918 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.390 5.968 -9.279 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.630 5.829 -6.313 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.268 5.724 -6.928 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.969 4.037 -6.822 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -11.065 3.719 -8.074 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.652 1.614 -7.241 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -10.748 1.293 -8.489 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.542 0.243 -8.076 1.00 0.00 H new ATOM 515 N PRO A 34 -9.320 8.548 -9.239 1.00 0.00 N ATOM 516 CA PRO A 34 -9.572 10.017 -9.130 1.00 0.00 C ATOM 517 C PRO A 34 -10.952 10.364 -8.561 1.00 0.00 C ATOM 518 O PRO A 34 -11.154 11.434 -7.987 1.00 0.00 O ATOM 519 CB PRO A 34 -9.436 10.539 -10.590 1.00 0.00 C ATOM 520 CG PRO A 34 -9.097 9.350 -11.452 1.00 0.00 C ATOM 521 CD PRO A 34 -9.397 8.094 -10.636 1.00 0.00 C ATOM 0 HA PRO A 34 -8.870 10.476 -8.433 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.364 11.004 -10.922 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.657 11.299 -10.657 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -9.685 9.361 -12.370 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -8.048 9.375 -11.746 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.382 7.692 -10.871 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.674 7.304 -10.839 1.00 0.00 H new ATOM 529 N ASP A 35 -11.907 9.466 -8.790 1.00 0.00 N ATOM 530 CA ASP A 35 -13.295 9.686 -8.367 1.00 0.00 C ATOM 531 C ASP A 35 -13.639 9.079 -7.001 1.00 0.00 C ATOM 532 O ASP A 35 -14.758 9.285 -6.529 1.00 0.00 O ATOM 533 CB ASP A 35 -14.234 9.084 -9.414 1.00 0.00 C ATOM 534 CG ASP A 35 -14.005 7.580 -9.516 1.00 0.00 C ATOM 535 OD1 ASP A 35 -13.178 7.075 -8.776 1.00 0.00 O ATOM 536 OD2 ASP A 35 -14.663 6.956 -10.332 1.00 0.00 O ATOM 0 H ASP A 35 -11.749 8.578 -9.266 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.419 10.765 -8.273 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -15.271 9.285 -9.143 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.061 9.553 -10.383 1.00 0.00 H new ATOM 541 N ASN A 36 -12.740 8.313 -6.373 1.00 0.00 N ATOM 542 CA ASN A 36 -13.070 7.681 -5.075 1.00 0.00 C ATOM 543 C ASN A 36 -12.057 7.999 -3.986 1.00 0.00 C ATOM 544 O ASN A 36 -10.859 7.806 -4.194 1.00 0.00 O ATOM 545 CB ASN A 36 -13.086 6.163 -5.261 1.00 0.00 C ATOM 546 CG ASN A 36 -14.140 5.770 -6.289 1.00 0.00 C ATOM 547 OD1 ASN A 36 -15.290 6.197 -6.195 1.00 0.00 O ATOM 548 ND2 ASN A 36 -13.813 4.979 -7.274 1.00 0.00 N ATOM 0 H ASN A 36 -11.803 8.115 -6.723 1.00 0.00 H new ATOM 0 HA ASN A 36 -14.038 8.074 -4.764 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -12.104 5.819 -5.586 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -13.296 5.675 -4.309 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -14.511 4.713 -7.968 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -12.859 4.626 -7.350 1.00 0.00 H new ATOM 555 N GLU A 37 -12.503 8.437 -2.818 1.00 0.00 N ATOM 556 CA GLU A 37 -11.588 8.708 -1.721 1.00 0.00 C ATOM 557 C GLU A 37 -10.875 7.430 -1.284 1.00 0.00 C ATOM 558 O GLU A 37 -11.519 6.454 -0.898 1.00 0.00 O ATOM 559 CB GLU A 37 -12.443 9.182 -0.537 1.00 0.00 C ATOM 560 CG GLU A 37 -11.548 9.653 0.615 1.00 0.00 C ATOM 561 CD GLU A 37 -10.841 10.947 0.229 1.00 0.00 C ATOM 562 OE1 GLU A 37 -11.295 11.594 -0.699 1.00 0.00 O ATOM 563 OE2 GLU A 37 -9.858 11.276 0.873 1.00 0.00 O ATOM 0 H GLU A 37 -13.486 8.611 -2.607 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.847 9.444 -2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.096 9.995 -0.854 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.087 8.371 -0.197 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.147 9.810 1.512 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.813 8.884 0.853 1.00 0.00 H new ATOM 570 N GLY A 38 -9.547 7.454 -1.307 1.00 0.00 N ATOM 571 CA GLY A 38 -8.777 6.284 -0.860 1.00 0.00 C ATOM 572 C GLY A 38 -8.042 6.542 0.446 1.00 0.00 C ATOM 573 O GLY A 38 -7.270 7.498 0.517 1.00 0.00 O ATOM 0 H GLY A 38 -8.986 8.246 -1.621 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.450 5.435 -0.734 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.057 6.009 -1.631 1.00 0.00 H new ATOM 577 N HIS A 39 -8.231 5.707 1.473 1.00 0.00 N ATOM 578 CA HIS A 39 -7.511 5.903 2.739 1.00 0.00 C ATOM 579 C HIS A 39 -6.607 4.703 2.966 1.00 0.00 C ATOM 580 O HIS A 39 -7.080 3.567 2.949 1.00 0.00 O ATOM 581 CB HIS A 39 -8.501 6.017 3.901 1.00 0.00 C ATOM 582 CG HIS A 39 -9.399 7.204 3.689 1.00 0.00 C ATOM 583 ND1 HIS A 39 -8.911 8.501 3.644 1.00 0.00 N ATOM 584 CD2 HIS A 39 -10.757 7.308 3.516 1.00 0.00 C ATOM 585 CE1 HIS A 39 -9.959 9.322 3.452 1.00 0.00 C ATOM 586 NE2 HIS A 39 -11.109 8.646 3.367 1.00 0.00 N ATOM 0 H HIS A 39 -8.862 4.905 1.457 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.925 6.821 2.688 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.097 5.107 3.974 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.961 6.121 4.842 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -7.935 8.782 3.739 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.447 6.478 3.498 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.881 10.396 3.376 1.00 0.00 H new ATOM 594 N VAL A 40 -5.310 4.938 3.142 1.00 0.00 N ATOM 595 CA VAL A 40 -4.361 3.848 3.330 1.00 0.00 C ATOM 596 C VAL A 40 -3.774 3.859 4.730 1.00 0.00 C ATOM 597 O VAL A 40 -3.277 4.884 5.198 1.00 0.00 O ATOM 598 CB VAL A 40 -3.244 3.988 2.302 1.00 0.00 C ATOM 599 CG1 VAL A 40 -2.232 2.857 2.491 1.00 0.00 C ATOM 600 CG2 VAL A 40 -3.853 3.900 0.896 1.00 0.00 C ATOM 0 H VAL A 40 -4.894 5.869 3.158 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.884 2.901 3.197 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.740 4.946 2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.433 2.957 1.756 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.810 2.910 3.495 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.730 1.897 2.357 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.064 3.999 0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.349 2.937 0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.580 4.702 0.763 1.00 0.00 H new ATOM 610 N SER A 41 -3.809 2.701 5.382 1.00 0.00 N ATOM 611 CA SER A 41 -3.245 2.563 6.728 1.00 0.00 C ATOM 612 C SER A 41 -2.236 1.429 6.743 1.00 0.00 C ATOM 613 O SER A 41 -2.449 0.385 6.127 1.00 0.00 O ATOM 614 CB SER A 41 -4.345 2.315 7.759 1.00 0.00 C ATOM 615 OG SER A 41 -5.120 3.497 7.913 1.00 0.00 O ATOM 0 H SER A 41 -4.219 1.846 5.006 1.00 0.00 H new ATOM 0 HA SER A 41 -2.743 3.493 6.994 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.980 1.489 7.439 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.906 2.027 8.714 1.00 0.00 H new ATOM 0 HG SER A 41 -5.828 3.341 8.573 1.00 0.00 H new ATOM 621 N VAL A 42 -1.141 1.638 7.467 1.00 0.00 N ATOM 622 CA VAL A 42 -0.096 0.619 7.577 1.00 0.00 C ATOM 623 C VAL A 42 0.246 0.410 9.043 1.00 0.00 C ATOM 624 O VAL A 42 0.512 1.365 9.771 1.00 0.00 O ATOM 625 CB VAL A 42 1.152 1.045 6.803 1.00 0.00 C ATOM 626 CG1 VAL A 42 2.167 -0.100 6.783 1.00 0.00 C ATOM 627 CG2 VAL A 42 0.765 1.425 5.372 1.00 0.00 C ATOM 0 H VAL A 42 -0.952 2.497 7.984 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.461 -0.315 7.150 1.00 0.00 H new ATOM 0 HB VAL A 42 1.602 1.908 7.293 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.054 0.210 6.230 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.447 -0.356 7.805 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.724 -0.971 6.300 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.656 1.728 4.822 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.309 0.567 4.878 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.054 2.251 5.394 1.00 0.00 H new ATOM 637 N ARG A 43 0.224 -0.851 9.476 1.00 0.00 N ATOM 638 CA ARG A 43 0.524 -1.166 10.869 1.00 0.00 C ATOM 639 C ARG A 43 1.149 -2.550 11.000 1.00 0.00 C ATOM 640 O ARG A 43 1.008 -3.393 10.114 1.00 0.00 O ATOM 641 CB ARG A 43 -0.757 -1.095 11.705 1.00 0.00 C ATOM 642 CG ARG A 43 -1.777 -2.115 11.191 1.00 0.00 C ATOM 643 CD ARG A 43 -3.068 -1.991 12.003 1.00 0.00 C ATOM 644 NE ARG A 43 -4.092 -2.883 11.472 1.00 0.00 N ATOM 645 CZ ARG A 43 -4.037 -4.196 11.680 1.00 0.00 C ATOM 646 NH1 ARG A 43 -3.204 -4.684 12.557 1.00 0.00 N ATOM 647 NH2 ARG A 43 -4.817 -4.995 11.005 1.00 0.00 N ATOM 0 H ARG A 43 0.005 -1.658 8.892 1.00 0.00 H new ATOM 0 HA ARG A 43 1.242 -0.432 11.236 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.529 -1.293 12.752 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.178 -0.091 11.655 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.980 -1.942 10.134 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.375 -3.124 11.278 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.872 -2.233 13.048 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.424 -0.961 11.976 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.864 -2.493 10.931 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.594 -4.059 13.084 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.162 -5.691 12.716 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.468 -4.613 10.319 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.776 -6.002 11.163 1.00 0.00 H new ATOM 661 N TYR A 44 1.825 -2.781 12.119 1.00 0.00 N ATOM 662 CA TYR A 44 2.451 -4.075 12.371 1.00 0.00 C ATOM 663 C TYR A 44 1.408 -5.044 12.925 1.00 0.00 C ATOM 664 O TYR A 44 0.582 -4.676 13.759 1.00 0.00 O ATOM 665 CB TYR A 44 3.600 -3.946 13.377 1.00 0.00 C ATOM 666 CG TYR A 44 4.783 -3.229 12.761 1.00 0.00 C ATOM 667 CD1 TYR A 44 5.453 -3.791 11.667 1.00 0.00 C ATOM 668 CD2 TYR A 44 5.226 -2.011 13.299 1.00 0.00 C ATOM 669 CE1 TYR A 44 6.560 -3.139 11.113 1.00 0.00 C ATOM 670 CE2 TYR A 44 6.332 -1.358 12.742 1.00 0.00 C ATOM 671 CZ TYR A 44 7.000 -1.924 11.649 1.00 0.00 C ATOM 672 OH TYR A 44 8.094 -1.283 11.102 1.00 0.00 O ATOM 0 H TYR A 44 1.954 -2.095 12.863 1.00 0.00 H new ATOM 0 HA TYR A 44 2.854 -4.449 11.430 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.258 -3.401 14.257 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.906 -4.936 13.714 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.115 -4.728 11.251 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.713 -1.577 14.144 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.076 -3.574 10.270 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.670 -0.419 13.155 1.00 0.00 H new ATOM 0 HH TYR A 44 8.265 -0.452 11.592 1.00 0.00 H new ATOM 682 N ALA A 45 1.459 -6.289 12.448 1.00 0.00 N ATOM 683 CA ALA A 45 0.528 -7.331 12.884 1.00 0.00 C ATOM 684 C ALA A 45 1.271 -8.658 12.983 1.00 0.00 C ATOM 685 O ALA A 45 2.407 -8.769 12.529 1.00 0.00 O ATOM 686 CB ALA A 45 -0.623 -7.460 11.885 1.00 0.00 C ATOM 0 H ALA A 45 2.140 -6.601 11.755 1.00 0.00 H new ATOM 0 HA ALA A 45 0.120 -7.064 13.859 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.309 -8.238 12.219 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.155 -6.511 11.818 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.226 -7.723 10.905 1.00 0.00 H new ATOM 692 N ALA A 46 0.643 -9.666 13.580 1.00 0.00 N ATOM 693 CA ALA A 46 1.303 -10.960 13.712 1.00 0.00 C ATOM 694 C ALA A 46 1.630 -11.531 12.330 1.00 0.00 C ATOM 695 O ALA A 46 2.568 -12.316 12.195 1.00 0.00 O ATOM 696 CB ALA A 46 0.446 -11.940 14.516 1.00 0.00 C ATOM 0 H ALA A 46 -0.298 -9.616 13.971 1.00 0.00 H new ATOM 0 HA ALA A 46 2.235 -10.813 14.258 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.965 -12.895 14.597 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.271 -11.537 15.513 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.509 -12.087 14.011 1.00 0.00 H new ATOM 702 N ALA A 47 0.848 -11.167 11.303 1.00 0.00 N ATOM 703 CA ALA A 47 1.086 -11.704 9.953 1.00 0.00 C ATOM 704 C ALA A 47 0.891 -10.653 8.857 1.00 0.00 C ATOM 705 O ALA A 47 0.079 -9.740 9.000 1.00 0.00 O ATOM 706 CB ALA A 47 0.150 -12.885 9.693 1.00 0.00 C ATOM 0 H ALA A 47 0.064 -10.519 11.376 1.00 0.00 H new ATOM 0 HA ALA A 47 2.127 -12.026 9.917 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.330 -13.279 8.693 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.337 -13.666 10.430 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.885 -12.553 9.771 1.00 0.00 H new ATOM 712 N ASN A 48 1.598 -10.825 7.740 1.00 0.00 N ATOM 713 CA ASN A 48 1.448 -9.923 6.599 1.00 0.00 C ATOM 714 C ASN A 48 0.083 -10.178 5.956 1.00 0.00 C ATOM 715 O ASN A 48 -0.251 -11.320 5.642 1.00 0.00 O ATOM 716 CB ASN A 48 2.565 -10.182 5.582 1.00 0.00 C ATOM 717 CG ASN A 48 2.379 -11.543 4.919 1.00 0.00 C ATOM 718 OD1 ASN A 48 1.837 -12.465 5.529 1.00 0.00 O ATOM 719 ND2 ASN A 48 2.811 -11.725 3.702 1.00 0.00 N ATOM 0 H ASN A 48 2.275 -11.575 7.601 1.00 0.00 H new ATOM 0 HA ASN A 48 1.514 -8.886 6.929 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.564 -9.399 4.824 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.534 -10.143 6.079 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.700 -12.634 3.252 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.259 -10.959 3.200 1.00 0.00 H new ATOM 726 N ASN A 49 -0.702 -9.119 5.752 1.00 0.00 N ATOM 727 CA ASN A 49 -2.023 -9.255 5.135 1.00 0.00 C ATOM 728 C ASN A 49 -2.412 -7.974 4.398 1.00 0.00 C ATOM 729 O ASN A 49 -2.026 -6.875 4.799 1.00 0.00 O ATOM 730 CB ASN A 49 -3.078 -9.555 6.205 1.00 0.00 C ATOM 731 CG ASN A 49 -2.757 -10.871 6.905 1.00 0.00 C ATOM 732 OD1 ASN A 49 -2.734 -10.933 8.133 1.00 0.00 O ATOM 733 ND2 ASN A 49 -2.521 -11.937 6.190 1.00 0.00 N ATOM 0 H ASN A 49 -0.449 -8.163 6.003 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.977 -10.078 4.422 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.108 -8.745 6.934 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.066 -9.609 5.747 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.317 -12.824 6.650 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.541 -11.883 5.172 1.00 0.00 H new ATOM 740 N LEU A 50 -3.210 -8.123 3.339 1.00 0.00 N ATOM 741 CA LEU A 50 -3.701 -6.986 2.552 1.00 0.00 C ATOM 742 C LEU A 50 -5.221 -7.093 2.505 1.00 0.00 C ATOM 743 O LEU A 50 -5.751 -8.104 2.045 1.00 0.00 O ATOM 744 CB LEU A 50 -3.126 -7.052 1.129 1.00 0.00 C ATOM 745 CG LEU A 50 -3.646 -5.874 0.279 1.00 0.00 C ATOM 746 CD1 LEU A 50 -3.157 -4.542 0.853 1.00 0.00 C ATOM 747 CD2 LEU A 50 -3.158 -6.026 -1.170 1.00 0.00 C ATOM 0 H LEU A 50 -3.534 -9.030 3.003 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.394 -6.041 3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.037 -7.026 1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.405 -7.996 0.661 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.736 -5.883 0.298 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.533 -3.722 0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.522 -4.430 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.067 -4.524 0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.527 -5.192 -1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.068 -6.031 -1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.532 -6.963 -1.584 1.00 0.00 H new ATOM 759 N SER A 51 -5.929 -6.060 2.965 1.00 0.00 N ATOM 760 CA SER A 51 -7.396 -6.073 2.943 1.00 0.00 C ATOM 761 C SER A 51 -7.927 -4.866 2.172 1.00 0.00 C ATOM 762 O SER A 51 -7.543 -3.730 2.454 1.00 0.00 O ATOM 763 CB SER A 51 -7.922 -6.013 4.378 1.00 0.00 C ATOM 764 OG SER A 51 -9.344 -6.016 4.357 1.00 0.00 O ATOM 0 H SER A 51 -5.518 -5.211 3.354 1.00 0.00 H new ATOM 0 HA SER A 51 -7.732 -6.987 2.454 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.553 -6.865 4.949 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.556 -5.114 4.875 1.00 0.00 H new ATOM 0 HG SER A 51 -9.685 -5.979 5.275 1.00 0.00 H new ATOM 770 N VAL A 52 -8.836 -5.106 1.223 1.00 0.00 N ATOM 771 CA VAL A 52 -9.447 -4.024 0.445 1.00 0.00 C ATOM 772 C VAL A 52 -10.963 -4.100 0.592 1.00 0.00 C ATOM 773 O VAL A 52 -11.559 -5.147 0.340 1.00 0.00 O ATOM 774 CB VAL A 52 -9.067 -4.141 -1.029 1.00 0.00 C ATOM 775 CG1 VAL A 52 -9.733 -3.004 -1.810 1.00 0.00 C ATOM 776 CG2 VAL A 52 -7.548 -4.037 -1.178 1.00 0.00 C ATOM 0 H VAL A 52 -9.165 -6.039 0.975 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.083 -3.067 0.820 1.00 0.00 H new ATOM 0 HB VAL A 52 -9.402 -5.103 -1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.466 -3.081 -2.864 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.815 -3.075 -1.704 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.392 -2.045 -1.419 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.279 -4.121 -2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.210 -3.075 -0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.071 -4.841 -0.617 1.00 0.00 H new ATOM 786 N ILE A 53 -11.587 -2.993 0.993 1.00 0.00 N ATOM 787 CA ILE A 53 -13.045 -2.953 1.162 1.00 0.00 C ATOM 788 C ILE A 53 -13.672 -1.900 0.250 1.00 0.00 C ATOM 789 O ILE A 53 -13.269 -0.738 0.265 1.00 0.00 O ATOM 790 CB ILE A 53 -13.378 -2.629 2.621 1.00 0.00 C ATOM 791 CG1 ILE A 53 -12.783 -3.708 3.539 1.00 0.00 C ATOM 792 CG2 ILE A 53 -14.898 -2.588 2.800 1.00 0.00 C ATOM 793 CD1 ILE A 53 -12.725 -3.183 4.973 1.00 0.00 C ATOM 0 H ILE A 53 -11.112 -2.116 1.206 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.452 -3.928 0.893 1.00 0.00 H new ATOM 0 HB ILE A 53 -12.954 -1.659 2.882 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.390 -4.612 3.496 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -11.783 -3.979 3.199 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -15.136 -2.357 3.838 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.320 -1.820 2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.322 -3.557 2.537 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.303 -3.949 5.624 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.100 -2.291 5.009 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -13.731 -2.934 5.310 1.00 0.00 H new ATOM 805 N GLY A 54 -14.680 -2.306 -0.530 1.00 0.00 N ATOM 806 CA GLY A 54 -15.373 -1.371 -1.424 1.00 0.00 C ATOM 807 C GLY A 54 -14.816 -1.397 -2.847 1.00 0.00 C ATOM 808 O GLY A 54 -15.054 -0.462 -3.612 1.00 0.00 O ATOM 0 H GLY A 54 -15.031 -3.263 -0.561 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.435 -1.617 -1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.289 -0.361 -1.023 1.00 0.00 H new ATOM 812 N ALA A 55 -14.065 -2.447 -3.205 1.00 0.00 N ATOM 813 CA ALA A 55 -13.479 -2.533 -4.555 1.00 0.00 C ATOM 814 C ALA A 55 -13.909 -3.799 -5.291 1.00 0.00 C ATOM 815 O ALA A 55 -14.322 -4.793 -4.691 1.00 0.00 O ATOM 816 CB ALA A 55 -11.953 -2.491 -4.463 1.00 0.00 C ATOM 0 H ALA A 55 -13.850 -3.236 -2.595 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.845 -1.678 -5.123 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.526 -2.555 -5.464 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.642 -1.557 -3.995 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.601 -3.331 -3.864 1.00 0.00 H new ATOM 822 N THR A 56 -13.754 -3.735 -6.613 1.00 0.00 N ATOM 823 CA THR A 56 -14.047 -4.827 -7.536 1.00 0.00 C ATOM 824 C THR A 56 -12.810 -5.696 -7.711 1.00 0.00 C ATOM 825 O THR A 56 -11.689 -5.267 -7.439 1.00 0.00 O ATOM 826 CB THR A 56 -14.421 -4.233 -8.895 1.00 0.00 C ATOM 827 OG1 THR A 56 -13.304 -3.537 -9.433 1.00 0.00 O ATOM 828 CG2 THR A 56 -15.594 -3.266 -8.722 1.00 0.00 C ATOM 0 H THR A 56 -13.411 -2.897 -7.083 1.00 0.00 H new ATOM 0 HA THR A 56 -14.865 -5.429 -7.141 1.00 0.00 H new ATOM 0 HB THR A 56 -14.709 -5.034 -9.576 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.398 -2.578 -9.253 1.00 0.00 H new ATOM 0 HG21 THR A 56 -15.862 -2.842 -9.690 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.450 -3.802 -8.311 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.307 -2.464 -8.041 1.00 0.00 H new ATOM 836 N LYS A 57 -13.033 -6.940 -8.124 1.00 0.00 N ATOM 837 CA LYS A 57 -11.949 -7.898 -8.288 1.00 0.00 C ATOM 838 C LYS A 57 -10.877 -7.381 -9.249 1.00 0.00 C ATOM 839 O LYS A 57 -9.687 -7.558 -8.991 1.00 0.00 O ATOM 840 CB LYS A 57 -12.510 -9.221 -8.840 1.00 0.00 C ATOM 841 CG LYS A 57 -13.559 -9.830 -7.889 1.00 0.00 C ATOM 842 CD LYS A 57 -14.080 -11.138 -8.489 1.00 0.00 C ATOM 843 CE LYS A 57 -15.122 -11.753 -7.554 1.00 0.00 C ATOM 844 NZ LYS A 57 -15.633 -13.022 -8.148 1.00 0.00 N ATOM 0 H LYS A 57 -13.957 -7.307 -8.351 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.492 -8.051 -7.310 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.961 -9.047 -9.817 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.695 -9.930 -8.987 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.116 -10.015 -6.910 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.382 -9.131 -7.740 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.521 -10.950 -9.468 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.255 -11.835 -8.639 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.680 -11.948 -6.577 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.944 -11.055 -7.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.342 -13.442 -7.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.069 -12.822 -9.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.844 -13.688 -8.275 1.00 0.00 H new ATOM 858 N GLU A 58 -11.275 -6.728 -10.338 1.00 0.00 N ATOM 859 CA GLU A 58 -10.297 -6.190 -11.280 1.00 0.00 C ATOM 860 C GLU A 58 -9.500 -5.070 -10.632 1.00 0.00 C ATOM 861 O GLU A 58 -8.295 -4.947 -10.851 1.00 0.00 O ATOM 862 CB GLU A 58 -10.997 -5.654 -12.531 1.00 0.00 C ATOM 863 CG GLU A 58 -9.945 -5.266 -13.573 1.00 0.00 C ATOM 864 CD GLU A 58 -10.621 -4.729 -14.830 1.00 0.00 C ATOM 865 OE1 GLU A 58 -11.838 -4.781 -14.893 1.00 0.00 O ATOM 866 OE2 GLU A 58 -9.911 -4.273 -15.712 1.00 0.00 O ATOM 0 H GLU A 58 -12.250 -6.560 -10.588 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.621 -6.996 -11.565 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.667 -6.411 -12.939 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.610 -4.789 -12.276 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.276 -4.511 -13.161 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.333 -6.133 -13.823 1.00 0.00 H new ATOM 873 N ASP A 59 -10.177 -4.260 -9.811 1.00 0.00 N ATOM 874 CA ASP A 59 -9.510 -3.170 -9.123 1.00 0.00 C ATOM 875 C ASP A 59 -8.483 -3.744 -8.162 1.00 0.00 C ATOM 876 O ASP A 59 -7.356 -3.259 -8.061 1.00 0.00 O ATOM 877 CB ASP A 59 -10.532 -2.323 -8.363 1.00 0.00 C ATOM 878 CG ASP A 59 -11.395 -1.548 -9.353 1.00 0.00 C ATOM 879 OD1 ASP A 59 -11.024 -1.492 -10.514 1.00 0.00 O ATOM 880 OD2 ASP A 59 -12.410 -1.016 -8.936 1.00 0.00 O ATOM 0 H ASP A 59 -11.174 -4.343 -9.614 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.009 -2.532 -9.850 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.159 -2.963 -7.742 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.020 -1.632 -7.693 1.00 0.00 H new ATOM 885 N LYS A 60 -8.898 -4.789 -7.459 1.00 0.00 N ATOM 886 CA LYS A 60 -8.024 -5.444 -6.500 1.00 0.00 C ATOM 887 C LYS A 60 -6.801 -6.039 -7.190 1.00 0.00 C ATOM 888 O LYS A 60 -5.692 -5.931 -6.666 1.00 0.00 O ATOM 889 CB LYS A 60 -8.778 -6.531 -5.736 1.00 0.00 C ATOM 890 CG LYS A 60 -9.799 -5.896 -4.791 1.00 0.00 C ATOM 891 CD LYS A 60 -10.536 -7.007 -4.042 1.00 0.00 C ATOM 892 CE LYS A 60 -11.687 -6.413 -3.228 1.00 0.00 C ATOM 893 NZ LYS A 60 -12.303 -7.484 -2.396 1.00 0.00 N ATOM 0 H LYS A 60 -9.829 -5.198 -7.535 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.684 -4.689 -5.791 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.283 -7.195 -6.437 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.076 -7.141 -5.168 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.299 -5.233 -4.085 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.506 -5.287 -5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.921 -7.741 -4.750 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.846 -7.532 -3.382 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.320 -5.607 -2.592 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.433 -5.979 -3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.086 -7.085 -1.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.666 -8.238 -3.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.588 -7.878 -1.752 1.00 0.00 H new ATOM 907 N GLN A 61 -6.967 -6.633 -8.368 1.00 0.00 N ATOM 908 CA GLN A 61 -5.815 -7.179 -9.072 1.00 0.00 C ATOM 909 C GLN A 61 -4.887 -6.026 -9.430 1.00 0.00 C ATOM 910 O GLN A 61 -3.671 -6.135 -9.277 1.00 0.00 O ATOM 911 CB GLN A 61 -6.263 -7.921 -10.336 1.00 0.00 C ATOM 912 CG GLN A 61 -5.045 -8.511 -11.048 1.00 0.00 C ATOM 913 CD GLN A 61 -5.492 -9.308 -12.271 1.00 0.00 C ATOM 914 OE1 GLN A 61 -6.680 -9.592 -12.428 1.00 0.00 O ATOM 915 NE2 GLN A 61 -4.606 -9.691 -13.148 1.00 0.00 N ATOM 0 H GLN A 61 -7.862 -6.746 -8.844 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.292 -7.894 -8.436 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.963 -8.715 -10.074 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.790 -7.238 -11.002 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -4.368 -7.712 -11.351 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.491 -9.156 -10.366 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.623 -9.455 -13.016 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.896 -10.227 -13.966 1.00 0.00 H new ATOM 924 N ARG A 62 -5.462 -4.916 -9.916 1.00 0.00 N ATOM 925 CA ARG A 62 -4.653 -3.765 -10.296 1.00 0.00 C ATOM 926 C ARG A 62 -3.872 -3.253 -9.090 1.00 0.00 C ATOM 927 O ARG A 62 -2.674 -2.983 -9.184 1.00 0.00 O ATOM 928 CB ARG A 62 -5.531 -2.653 -10.883 1.00 0.00 C ATOM 929 CG ARG A 62 -4.668 -1.441 -11.256 1.00 0.00 C ATOM 930 CD ARG A 62 -5.528 -0.402 -11.975 1.00 0.00 C ATOM 931 NE ARG A 62 -6.582 0.081 -11.092 1.00 0.00 N ATOM 932 CZ ARG A 62 -7.624 0.752 -11.570 1.00 0.00 C ATOM 933 NH1 ARG A 62 -7.460 1.607 -12.543 1.00 0.00 N ATOM 934 NH2 ARG A 62 -8.814 0.557 -11.068 1.00 0.00 N ATOM 0 H ARG A 62 -6.466 -4.798 -10.051 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.945 -4.076 -11.064 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.056 -3.021 -11.765 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.291 -2.359 -10.159 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.227 -1.006 -10.359 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.843 -1.752 -11.897 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.906 0.432 -12.301 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.967 -0.841 -12.871 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.518 -0.099 -10.090 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.531 1.760 -12.936 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.260 2.122 -12.910 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.944 -0.111 -10.308 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.613 1.073 -11.436 1.00 0.00 H new ATOM 948 N ILE A 63 -4.553 -3.124 -7.958 1.00 0.00 N ATOM 949 CA ILE A 63 -3.892 -2.644 -6.748 1.00 0.00 C ATOM 950 C ILE A 63 -2.747 -3.579 -6.359 1.00 0.00 C ATOM 951 O ILE A 63 -1.653 -3.115 -6.037 1.00 0.00 O ATOM 952 CB ILE A 63 -4.896 -2.491 -5.605 1.00 0.00 C ATOM 953 CG1 ILE A 63 -5.834 -1.314 -5.892 1.00 0.00 C ATOM 954 CG2 ILE A 63 -4.164 -2.239 -4.280 1.00 0.00 C ATOM 955 CD1 ILE A 63 -7.035 -1.374 -4.944 1.00 0.00 C ATOM 0 H ILE A 63 -5.544 -3.340 -7.851 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.470 -1.660 -6.951 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.473 -3.412 -5.526 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.302 -0.371 -5.763 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.173 -1.349 -6.927 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.893 -2.132 -3.476 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.505 -3.080 -4.063 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.574 -1.326 -4.358 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.702 -0.537 -5.148 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.572 -2.311 -5.095 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.687 -1.318 -3.912 1.00 0.00 H new ATOM 967 N SER A 64 -2.973 -4.884 -6.429 1.00 0.00 N ATOM 968 CA SER A 64 -1.897 -5.817 -6.114 1.00 0.00 C ATOM 969 C SER A 64 -0.750 -5.557 -7.089 1.00 0.00 C ATOM 970 O SER A 64 0.409 -5.573 -6.678 1.00 0.00 O ATOM 971 CB SER A 64 -2.389 -7.260 -6.236 1.00 0.00 C ATOM 972 OG SER A 64 -3.437 -7.478 -5.299 1.00 0.00 O ATOM 0 H SER A 64 -3.861 -5.312 -6.692 1.00 0.00 H new ATOM 0 HA SER A 64 -1.558 -5.670 -5.088 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.745 -7.451 -7.248 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.569 -7.953 -6.050 1.00 0.00 H new ATOM 0 HG SER A 64 -4.259 -7.055 -5.623 1.00 0.00 H new ATOM 978 N GLU A 65 -1.040 -5.305 -8.380 1.00 0.00 N ATOM 979 CA GLU A 65 0.034 -5.042 -9.340 1.00 0.00 C ATOM 980 C GLU A 65 0.779 -3.769 -8.939 1.00 0.00 C ATOM 981 O GLU A 65 2.007 -3.717 -8.995 1.00 0.00 O ATOM 982 CB GLU A 65 -0.516 -4.911 -10.763 1.00 0.00 C ATOM 983 CG GLU A 65 -1.007 -6.277 -11.249 1.00 0.00 C ATOM 984 CD GLU A 65 -1.558 -6.160 -12.666 1.00 0.00 C ATOM 985 OE1 GLU A 65 -1.820 -5.046 -13.090 1.00 0.00 O ATOM 986 OE2 GLU A 65 -1.707 -7.187 -13.309 1.00 0.00 O ATOM 0 H GLU A 65 -1.983 -5.279 -8.768 1.00 0.00 H new ATOM 0 HA GLU A 65 0.725 -5.885 -9.327 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.334 -4.191 -10.783 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.259 -4.533 -11.430 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.188 -6.996 -11.227 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.780 -6.654 -10.579 1.00 0.00 H new ATOM 993 N ILE A 66 0.034 -2.747 -8.531 1.00 0.00 N ATOM 994 CA ILE A 66 0.643 -1.483 -8.121 1.00 0.00 C ATOM 995 C ILE A 66 1.581 -1.691 -6.933 1.00 0.00 C ATOM 996 O ILE A 66 2.701 -1.181 -6.917 1.00 0.00 O ATOM 997 CB ILE A 66 -0.454 -0.469 -7.769 1.00 0.00 C ATOM 998 CG1 ILE A 66 -1.182 -0.062 -9.059 1.00 0.00 C ATOM 999 CG2 ILE A 66 0.177 0.770 -7.121 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -2.363 0.858 -8.733 1.00 0.00 C ATOM 0 H ILE A 66 -0.984 -2.766 -8.475 1.00 0.00 H new ATOM 0 HA ILE A 66 1.234 -1.095 -8.950 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.160 -0.915 -7.069 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.490 0.446 -9.731 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.537 -0.951 -9.581 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.604 1.488 -6.872 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.703 0.477 -6.213 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.881 1.226 -7.817 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.871 1.139 -9.656 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.062 0.336 -8.079 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.998 1.755 -8.232 1.00 0.00 H new ATOM 1012 N LEU A 67 1.116 -2.441 -5.945 1.00 0.00 N ATOM 1013 CA LEU A 67 1.926 -2.701 -4.774 1.00 0.00 C ATOM 1014 C LEU A 67 3.202 -3.406 -5.201 1.00 0.00 C ATOM 1015 O LEU A 67 4.288 -3.077 -4.728 1.00 0.00 O ATOM 1016 CB LEU A 67 1.144 -3.576 -3.769 1.00 0.00 C ATOM 1017 CG LEU A 67 2.070 -4.180 -2.683 1.00 0.00 C ATOM 1018 CD1 LEU A 67 2.573 -3.091 -1.724 1.00 0.00 C ATOM 1019 CD2 LEU A 67 1.277 -5.225 -1.889 1.00 0.00 C ATOM 0 H LEU A 67 0.192 -2.874 -5.934 1.00 0.00 H new ATOM 0 HA LEU A 67 2.176 -1.758 -4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.369 -2.976 -3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.640 -4.381 -4.304 1.00 0.00 H new ATOM 0 HG LEU A 67 2.933 -4.637 -3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.221 -3.540 -0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.133 -2.343 -2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.723 -2.616 -1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.916 -5.660 -1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.416 -4.749 -1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.934 -6.011 -2.562 1.00 0.00 H new ATOM 1031 N GLN A 68 3.074 -4.353 -6.113 1.00 0.00 N ATOM 1032 CA GLN A 68 4.245 -5.053 -6.600 1.00 0.00 C ATOM 1033 C GLN A 68 5.217 -4.079 -7.266 1.00 0.00 C ATOM 1034 O GLN A 68 6.410 -4.087 -6.959 1.00 0.00 O ATOM 1035 CB GLN A 68 3.847 -6.151 -7.583 1.00 0.00 C ATOM 1036 CG GLN A 68 3.141 -7.277 -6.828 1.00 0.00 C ATOM 1037 CD GLN A 68 2.611 -8.314 -7.813 1.00 0.00 C ATOM 1038 OE1 GLN A 68 2.273 -7.978 -8.947 1.00 0.00 O ATOM 1039 NE2 GLN A 68 2.519 -9.562 -7.443 1.00 0.00 N ATOM 0 H GLN A 68 2.189 -4.650 -6.524 1.00 0.00 H new ATOM 0 HA GLN A 68 4.742 -5.514 -5.746 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.189 -5.745 -8.352 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.731 -6.537 -8.091 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.833 -7.747 -6.130 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.320 -6.871 -6.238 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.800 -9.837 -6.502 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.166 -10.263 -8.095 1.00 0.00 H new ATOM 1048 N GLU A 69 4.728 -3.258 -8.198 1.00 0.00 N ATOM 1049 CA GLU A 69 5.603 -2.321 -8.904 1.00 0.00 C ATOM 1050 C GLU A 69 6.281 -1.319 -7.967 1.00 0.00 C ATOM 1051 O GLU A 69 7.482 -1.079 -8.082 1.00 0.00 O ATOM 1052 CB GLU A 69 4.797 -1.573 -9.966 1.00 0.00 C ATOM 1053 CG GLU A 69 4.407 -2.541 -11.084 1.00 0.00 C ATOM 1054 CD GLU A 69 3.565 -1.817 -12.129 1.00 0.00 C ATOM 1055 OE1 GLU A 69 3.145 -0.706 -11.855 1.00 0.00 O ATOM 1056 OE2 GLU A 69 3.351 -2.387 -13.186 1.00 0.00 O ATOM 0 H GLU A 69 3.748 -3.222 -8.478 1.00 0.00 H new ATOM 0 HA GLU A 69 6.396 -2.907 -9.369 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.903 -1.137 -9.520 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.385 -0.750 -10.372 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.303 -2.953 -11.548 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.847 -3.380 -10.671 1.00 0.00 H new ATOM 1063 N THR A 70 5.525 -0.735 -7.041 1.00 0.00 N ATOM 1064 CA THR A 70 6.101 0.231 -6.106 1.00 0.00 C ATOM 1065 C THR A 70 7.200 -0.425 -5.293 1.00 0.00 C ATOM 1066 O THR A 70 8.292 0.117 -5.121 1.00 0.00 O ATOM 1067 CB THR A 70 5.012 0.759 -5.182 1.00 0.00 C ATOM 1068 OG1 THR A 70 4.004 1.393 -5.957 1.00 0.00 O ATOM 1069 CG2 THR A 70 5.610 1.767 -4.200 1.00 0.00 C ATOM 0 H THR A 70 4.528 -0.909 -6.917 1.00 0.00 H new ATOM 0 HA THR A 70 6.529 1.062 -6.667 1.00 0.00 H new ATOM 0 HB THR A 70 4.578 -0.071 -4.624 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.440 0.712 -6.380 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.827 2.142 -3.541 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.383 1.281 -3.605 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.047 2.598 -4.753 1.00 0.00 H new ATOM 1077 N TRP A 71 6.870 -1.601 -4.785 1.00 0.00 N ATOM 1078 CA TRP A 71 7.779 -2.373 -3.964 1.00 0.00 C ATOM 1079 C TRP A 71 9.047 -2.680 -4.752 1.00 0.00 C ATOM 1080 O TRP A 71 10.146 -2.628 -4.198 1.00 0.00 O ATOM 1081 CB TRP A 71 7.012 -3.619 -3.505 1.00 0.00 C ATOM 1082 CG TRP A 71 7.774 -4.450 -2.506 1.00 0.00 C ATOM 1083 CD1 TRP A 71 7.947 -5.789 -2.615 1.00 0.00 C ATOM 1084 CD2 TRP A 71 8.419 -4.062 -1.239 1.00 0.00 C ATOM 1085 NE1 TRP A 71 8.683 -6.241 -1.538 1.00 0.00 N ATOM 1086 CE2 TRP A 71 8.997 -5.225 -0.664 1.00 0.00 C ATOM 1087 CE3 TRP A 71 8.579 -2.841 -0.540 1.00 0.00 C ATOM 1088 CZ2 TRP A 71 9.698 -5.180 0.543 1.00 0.00 C ATOM 1089 CZ3 TRP A 71 9.282 -2.801 0.676 1.00 0.00 C ATOM 1090 CH2 TRP A 71 9.843 -3.966 1.213 1.00 0.00 C ATOM 0 H TRP A 71 5.963 -2.045 -4.932 1.00 0.00 H new ATOM 0 HA TRP A 71 8.113 -1.831 -3.079 1.00 0.00 H new ATOM 0 HB2 TRP A 71 6.063 -3.312 -3.064 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.776 -4.233 -4.374 1.00 0.00 H new ATOM 0 HD1 TRP A 71 7.569 -6.405 -3.417 1.00 0.00 H new ATOM 0 HE1 TRP A 71 8.961 -7.213 -1.406 1.00 0.00 H new ATOM 0 HE3 TRP A 71 8.157 -1.933 -0.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 10.126 -6.082 0.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 9.391 -1.863 1.201 1.00 0.00 H new ATOM 0 HH2 TRP A 71 10.387 -3.924 2.145 1.00 0.00 H new ATOM 1101 N GLU A 72 8.915 -2.997 -6.030 1.00 0.00 N ATOM 1102 CA GLU A 72 10.074 -3.308 -6.871 1.00 0.00 C ATOM 1103 C GLU A 72 10.870 -2.056 -7.233 1.00 0.00 C ATOM 1104 O GLU A 72 12.011 -2.176 -7.684 1.00 0.00 O ATOM 1105 CB GLU A 72 9.632 -4.028 -8.147 1.00 0.00 C ATOM 1106 CG GLU A 72 9.148 -5.437 -7.807 1.00 0.00 C ATOM 1107 CD GLU A 72 10.330 -6.303 -7.384 1.00 0.00 C ATOM 1108 OE1 GLU A 72 11.448 -5.946 -7.715 1.00 0.00 O ATOM 1109 OE2 GLU A 72 10.098 -7.316 -6.746 1.00 0.00 O ATOM 0 H GLU A 72 8.018 -3.047 -6.514 1.00 0.00 H new ATOM 0 HA GLU A 72 10.725 -3.963 -6.292 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.834 -3.467 -8.634 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.462 -4.079 -8.852 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.411 -5.394 -7.005 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.653 -5.879 -8.671 1.00 0.00 H new ATOM 1116 N SER A 73 10.291 -0.852 -7.074 1.00 0.00 N ATOM 1117 CA SER A 73 11.013 0.380 -7.439 1.00 0.00 C ATOM 1118 C SER A 73 11.434 1.167 -6.198 1.00 0.00 C ATOM 1119 O SER A 73 11.600 2.385 -6.247 1.00 0.00 O ATOM 1120 CB SER A 73 10.133 1.244 -8.344 1.00 0.00 C ATOM 1121 OG SER A 73 10.017 0.616 -9.613 1.00 0.00 O ATOM 0 H SER A 73 9.351 -0.707 -6.706 1.00 0.00 H new ATOM 0 HA SER A 73 11.919 0.100 -7.976 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.147 1.375 -7.897 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.567 2.238 -8.454 1.00 0.00 H new ATOM 0 HG SER A 73 9.453 1.163 -10.198 1.00 0.00 H new ATOM 1127 N ALA A 74 11.542 0.464 -5.074 1.00 0.00 N ATOM 1128 CA ALA A 74 11.868 1.067 -3.785 1.00 0.00 C ATOM 1129 C ALA A 74 13.137 1.922 -3.749 1.00 0.00 C ATOM 1130 O ALA A 74 13.183 2.934 -3.060 1.00 0.00 O ATOM 1131 CB ALA A 74 12.032 -0.054 -2.758 1.00 0.00 C ATOM 0 H ALA A 74 11.405 -0.546 -5.032 1.00 0.00 H new ATOM 0 HA ALA A 74 11.044 1.746 -3.568 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.276 0.376 -1.786 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.102 -0.617 -2.682 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.835 -0.721 -3.072 1.00 0.00 H new ATOM 1137 N ASP A 75 14.160 1.514 -4.475 1.00 0.00 N ATOM 1138 CA ASP A 75 15.419 2.257 -4.481 1.00 0.00 C ATOM 1139 C ASP A 75 15.259 3.667 -5.059 1.00 0.00 C ATOM 1140 O ASP A 75 16.105 4.531 -4.824 1.00 0.00 O ATOM 1141 CB ASP A 75 16.456 1.486 -5.298 1.00 0.00 C ATOM 1142 CG ASP A 75 15.962 1.313 -6.730 1.00 0.00 C ATOM 1143 OD1 ASP A 75 14.979 1.946 -7.076 1.00 0.00 O ATOM 1144 OD2 ASP A 75 16.568 0.542 -7.454 1.00 0.00 O ATOM 0 H ASP A 75 14.152 0.682 -5.065 1.00 0.00 H new ATOM 0 HA ASP A 75 15.746 2.362 -3.447 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.406 2.020 -5.294 1.00 0.00 H new ATOM 0 HB3 ASP A 75 16.637 0.511 -4.846 1.00 0.00 H new ATOM 1149 N ASP A 76 14.201 3.901 -5.828 1.00 0.00 N ATOM 1150 CA ASP A 76 13.979 5.215 -6.446 1.00 0.00 C ATOM 1151 C ASP A 76 13.092 6.140 -5.599 1.00 0.00 C ATOM 1152 O ASP A 76 13.404 7.321 -5.456 1.00 0.00 O ATOM 1153 CB ASP A 76 13.340 5.028 -7.824 1.00 0.00 C ATOM 1154 CG ASP A 76 14.357 4.431 -8.793 1.00 0.00 C ATOM 1155 OD1 ASP A 76 15.533 4.450 -8.473 1.00 0.00 O ATOM 1156 OD2 ASP A 76 13.943 3.972 -9.845 1.00 0.00 O ATOM 0 H ASP A 76 13.485 3.207 -6.041 1.00 0.00 H new ATOM 0 HA ASP A 76 14.954 5.694 -6.529 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.472 4.374 -7.746 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.984 5.986 -8.202 1.00 0.00 H new ATOM 1161 N TRP A 77 11.973 5.639 -5.078 1.00 0.00 N ATOM 1162 CA TRP A 77 11.064 6.502 -4.303 1.00 0.00 C ATOM 1163 C TRP A 77 11.359 6.521 -2.803 1.00 0.00 C ATOM 1164 O TRP A 77 10.978 7.469 -2.119 1.00 0.00 O ATOM 1165 CB TRP A 77 9.605 6.088 -4.526 1.00 0.00 C ATOM 1166 CG TRP A 77 9.280 4.833 -3.755 1.00 0.00 C ATOM 1167 CD1 TRP A 77 9.239 3.579 -4.279 1.00 0.00 C ATOM 1168 CD2 TRP A 77 8.944 4.683 -2.329 1.00 0.00 C ATOM 1169 NE1 TRP A 77 8.884 2.688 -3.292 1.00 0.00 N ATOM 1170 CE2 TRP A 77 8.696 3.308 -2.079 1.00 0.00 C ATOM 1171 CE3 TRP A 77 8.821 5.580 -1.231 1.00 0.00 C ATOM 1172 CZ2 TRP A 77 8.344 2.844 -0.817 1.00 0.00 C ATOM 1173 CZ3 TRP A 77 8.468 5.100 0.033 1.00 0.00 C ATOM 1174 CH2 TRP A 77 8.229 3.743 0.238 1.00 0.00 C ATOM 0 H TRP A 77 11.674 4.668 -5.170 1.00 0.00 H new ATOM 0 HA TRP A 77 11.234 7.513 -4.674 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.942 6.894 -4.213 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.427 5.923 -5.589 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.451 3.323 -5.306 1.00 0.00 H new ATOM 0 HE1 TRP A 77 8.773 1.685 -3.443 1.00 0.00 H new ATOM 0 HE3 TRP A 77 9.001 6.635 -1.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.161 1.792 -0.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 8.379 5.789 0.860 1.00 0.00 H new ATOM 0 HH2 TRP A 77 7.953 3.388 1.220 1.00 0.00 H new ATOM 1185 N PHE A 78 12.055 5.515 -2.283 1.00 0.00 N ATOM 1186 CA PHE A 78 12.369 5.513 -0.851 1.00 0.00 C ATOM 1187 C PHE A 78 13.658 6.266 -0.591 1.00 0.00 C ATOM 1188 O PHE A 78 14.700 5.962 -1.172 1.00 0.00 O ATOM 1189 CB PHE A 78 12.498 4.084 -0.307 1.00 0.00 C ATOM 1190 CG PHE A 78 12.923 4.139 1.154 1.00 0.00 C ATOM 1191 CD1 PHE A 78 12.077 4.729 2.107 1.00 0.00 C ATOM 1192 CD2 PHE A 78 14.164 3.610 1.559 1.00 0.00 C ATOM 1193 CE1 PHE A 78 12.468 4.790 3.450 1.00 0.00 C ATOM 1194 CE2 PHE A 78 14.547 3.674 2.904 1.00 0.00 C ATOM 1195 CZ PHE A 78 13.701 4.262 3.848 1.00 0.00 C ATOM 0 H PHE A 78 12.405 4.713 -2.808 1.00 0.00 H new ATOM 0 HA PHE A 78 11.546 6.008 -0.336 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.547 3.559 -0.402 1.00 0.00 H new ATOM 0 HB3 PHE A 78 13.230 3.525 -0.890 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.124 5.136 1.804 1.00 0.00 H new ATOM 0 HD2 PHE A 78 14.820 3.155 0.832 1.00 0.00 H new ATOM 0 HE1 PHE A 78 11.816 5.246 4.181 1.00 0.00 H new ATOM 0 HE2 PHE A 78 15.499 3.268 3.213 1.00 0.00 H new ATOM 0 HZ PHE A 78 13.999 4.309 4.885 1.00 0.00 H new ATOM 1205 N VAL A 79 13.578 7.248 0.299 1.00 0.00 N ATOM 1206 CA VAL A 79 14.725 8.067 0.673 1.00 0.00 C ATOM 1207 C VAL A 79 14.997 7.840 2.155 1.00 0.00 C ATOM 1208 O VAL A 79 14.064 7.574 2.912 1.00 0.00 O ATOM 1209 CB VAL A 79 14.398 9.552 0.405 1.00 0.00 C ATOM 1210 CG1 VAL A 79 15.684 10.333 0.111 1.00 0.00 C ATOM 1211 CG2 VAL A 79 13.445 9.657 -0.798 1.00 0.00 C ATOM 0 H VAL A 79 12.716 7.499 0.782 1.00 0.00 H new ATOM 0 HA VAL A 79 15.606 7.797 0.090 1.00 0.00 H new ATOM 0 HB VAL A 79 13.922 9.976 1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 79 15.440 11.379 -0.076 1.00 0.00 H new ATOM 0 HG12 VAL A 79 16.355 10.265 0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 79 16.173 9.912 -0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.213 10.705 -0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 79 13.921 9.225 -1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.524 9.115 -0.581 1.00 0.00 H new ATOM 1221 N SER A 80 16.253 7.942 2.589 1.00 0.00 N ATOM 1222 CA SER A 80 16.575 7.737 4.008 1.00 0.00 C ATOM 1223 C SER A 80 17.547 8.810 4.482 1.00 0.00 C ATOM 1224 O SER A 80 18.494 9.161 3.778 1.00 0.00 O ATOM 1225 CB SER A 80 17.189 6.348 4.230 1.00 0.00 C ATOM 1226 OG SER A 80 17.189 6.058 5.621 1.00 0.00 O ATOM 0 H SER A 80 17.053 8.161 1.995 1.00 0.00 H new ATOM 0 HA SER A 80 15.652 7.806 4.583 1.00 0.00 H new ATOM 0 HB2 SER A 80 16.619 5.593 3.688 1.00 0.00 H new ATOM 0 HB3 SER A 80 18.206 6.320 3.840 1.00 0.00 H new ATOM 0 HG SER A 80 17.578 5.171 5.770 1.00 0.00 H new ATOM 1232 N GLU A 81 17.299 9.333 5.677 1.00 0.00 N ATOM 1233 CA GLU A 81 18.154 10.373 6.237 1.00 0.00 C ATOM 1234 C GLU A 81 19.521 9.802 6.599 1.00 0.00 C ATOM 1235 O GLU A 81 19.612 8.596 6.766 1.00 0.00 O ATOM 1236 CB GLU A 81 17.499 10.967 7.485 1.00 0.00 C ATOM 1237 CG GLU A 81 16.253 11.760 7.084 1.00 0.00 C ATOM 1238 CD GLU A 81 15.159 10.807 6.612 1.00 0.00 C ATOM 1239 OE1 GLU A 81 15.235 9.637 6.949 1.00 0.00 O ATOM 1240 OE2 GLU A 81 14.262 11.261 5.921 1.00 0.00 O ATOM 1241 OXT GLU A 81 20.456 10.577 6.702 1.00 0.00 O ATOM 0 H GLU A 81 16.519 9.057 6.273 1.00 0.00 H new ATOM 0 HA GLU A 81 18.286 11.155 5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 81 17.228 10.172 8.179 1.00 0.00 H new ATOM 0 HB3 GLU A 81 18.204 11.616 8.004 1.00 0.00 H new ATOM 0 HG2 GLU A 81 15.896 12.346 7.931 1.00 0.00 H new ATOM 0 HG3 GLU A 81 16.500 12.465 6.290 1.00 0.00 H new TER 1248 GLU A 81