USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 279 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 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -95:sc= -4.68! USER MOD Single : A 57 THR OG1 : rot -64:sc= 0.117 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -1:sc= 0.844 USER MOD Single : A 63 TYR OH : rot 165:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -2.46! C(o=-2.5!,f=-2.3!) USER MOD Single : A 73 SER OG : rot -40:sc= 0.701 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 44 -16.444 -10.686 -0.026 1.00 0.00 N ATOM 2 CA ALA A 44 -17.522 -9.683 -0.265 1.00 0.00 C ATOM 3 C ALA A 44 -17.639 -9.390 -1.763 1.00 0.00 C ATOM 4 O ALA A 44 -16.730 -8.864 -2.375 1.00 0.00 O ATOM 5 CB ALA A 44 -17.080 -8.436 0.504 1.00 0.00 C ATOM 0 HA ALA A 44 -18.500 -10.032 0.065 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -17.823 -7.649 0.378 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -16.982 -8.677 1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.119 -8.093 0.120 1.00 0.00 H new ATOM 13 N VAL A 45 -18.751 -9.734 -2.360 1.00 0.00 N ATOM 14 CA VAL A 45 -18.920 -9.481 -3.821 1.00 0.00 C ATOM 15 C VAL A 45 -20.100 -8.538 -4.076 1.00 0.00 C ATOM 16 O VAL A 45 -21.174 -8.963 -4.452 1.00 0.00 O ATOM 17 CB VAL A 45 -19.207 -10.851 -4.433 1.00 0.00 C ATOM 18 CG1 VAL A 45 -19.472 -10.688 -5.930 1.00 0.00 C ATOM 19 CG2 VAL A 45 -18.002 -11.771 -4.225 1.00 0.00 C ATOM 0 H VAL A 45 -19.546 -10.178 -1.900 1.00 0.00 H new ATOM 0 HA VAL A 45 -18.037 -9.010 -4.252 1.00 0.00 H new ATOM 0 HB VAL A 45 -20.081 -11.289 -3.951 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -19.677 -11.663 -6.371 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -20.332 -10.034 -6.078 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -18.596 -10.250 -6.409 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -18.210 -12.747 -4.663 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -17.125 -11.337 -4.706 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -17.811 -11.885 -3.158 1.00 0.00 H new ATOM 29 N ASP A 46 -19.912 -7.262 -3.883 1.00 0.00 N ATOM 30 CA ASP A 46 -21.028 -6.298 -4.122 1.00 0.00 C ATOM 31 C ASP A 46 -20.466 -4.890 -4.342 1.00 0.00 C ATOM 32 O ASP A 46 -20.799 -3.961 -3.633 1.00 0.00 O ATOM 33 CB ASP A 46 -21.871 -6.344 -2.846 1.00 0.00 C ATOM 34 CG ASP A 46 -23.078 -7.261 -3.056 1.00 0.00 C ATOM 35 OD1 ASP A 46 -23.485 -7.423 -4.195 1.00 0.00 O ATOM 36 OD2 ASP A 46 -23.578 -7.785 -2.073 1.00 0.00 O ATOM 0 H ASP A 46 -19.036 -6.843 -3.571 1.00 0.00 H new ATOM 0 HA ASP A 46 -21.613 -6.551 -5.006 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -21.268 -6.706 -2.013 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -22.206 -5.340 -2.584 1.00 0.00 H new ATOM 41 N GLU A 47 -19.607 -4.728 -5.313 1.00 0.00 N ATOM 42 CA GLU A 47 -19.011 -3.382 -5.567 1.00 0.00 C ATOM 43 C GLU A 47 -18.203 -2.951 -4.344 1.00 0.00 C ATOM 44 O GLU A 47 -17.952 -1.781 -4.128 1.00 0.00 O ATOM 45 CB GLU A 47 -20.192 -2.430 -5.789 1.00 0.00 C ATOM 46 CG GLU A 47 -21.274 -3.117 -6.627 1.00 0.00 C ATOM 47 CD GLU A 47 -20.630 -3.813 -7.827 1.00 0.00 C ATOM 48 OE1 GLU A 47 -19.995 -3.129 -8.612 1.00 0.00 O ATOM 49 OE2 GLU A 47 -20.785 -5.018 -7.941 1.00 0.00 O ATOM 0 H GLU A 47 -19.292 -5.468 -5.941 1.00 0.00 H new ATOM 0 HA GLU A 47 -18.343 -3.384 -6.428 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -20.606 -2.122 -4.829 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -19.850 -1.526 -6.293 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -21.813 -3.844 -6.019 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -22.004 -2.383 -6.968 1.00 0.00 H new ATOM 56 N LYS A 48 -17.803 -3.894 -3.537 1.00 0.00 N ATOM 57 CA LYS A 48 -17.019 -3.559 -2.316 1.00 0.00 C ATOM 58 C LYS A 48 -15.894 -2.579 -2.653 1.00 0.00 C ATOM 59 O LYS A 48 -15.435 -1.834 -1.812 1.00 0.00 O ATOM 60 CB LYS A 48 -16.447 -4.894 -1.837 1.00 0.00 C ATOM 61 CG LYS A 48 -15.387 -4.639 -0.763 1.00 0.00 C ATOM 62 CD LYS A 48 -16.061 -4.092 0.498 1.00 0.00 C ATOM 63 CE LYS A 48 -17.187 -5.036 0.926 1.00 0.00 C ATOM 64 NZ LYS A 48 -17.532 -4.618 2.314 1.00 0.00 N ATOM 0 H LYS A 48 -17.987 -4.888 -3.672 1.00 0.00 H new ATOM 0 HA LYS A 48 -17.631 -3.079 -1.553 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -17.244 -5.520 -1.435 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -16.008 -5.435 -2.675 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -14.857 -5.563 -0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -14.646 -3.929 -1.130 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -15.330 -3.994 1.300 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -16.460 -3.096 0.307 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -18.048 -4.951 0.262 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -16.863 -6.076 0.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -18.298 -5.220 2.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -16.696 -4.716 2.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -17.843 -3.626 2.310 1.00 0.00 H new ATOM 78 N LEU A 49 -15.448 -2.571 -3.879 1.00 0.00 N ATOM 79 CA LEU A 49 -14.355 -1.634 -4.264 1.00 0.00 C ATOM 80 C LEU A 49 -13.239 -1.657 -3.215 1.00 0.00 C ATOM 81 O LEU A 49 -12.573 -0.668 -2.980 1.00 0.00 O ATOM 82 CB LEU A 49 -15.018 -0.258 -4.314 1.00 0.00 C ATOM 83 CG LEU A 49 -15.381 0.082 -5.760 1.00 0.00 C ATOM 84 CD1 LEU A 49 -16.321 -0.988 -6.317 1.00 0.00 C ATOM 85 CD2 LEU A 49 -16.080 1.442 -5.802 1.00 0.00 C ATOM 0 H LEU A 49 -15.792 -3.171 -4.629 1.00 0.00 H new ATOM 0 HA LEU A 49 -13.896 -1.902 -5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -15.913 -0.251 -3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -14.344 0.497 -3.910 1.00 0.00 H new ATOM 0 HG LEU A 49 -14.473 0.118 -6.363 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -16.579 -0.745 -7.348 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -15.826 -1.959 -6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -17.229 -1.024 -5.715 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -16.340 1.686 -6.832 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -16.987 1.404 -5.199 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -15.412 2.207 -5.405 1.00 0.00 H new ATOM 97 N ARG A 50 -13.026 -2.779 -2.584 1.00 0.00 N ATOM 98 CA ARG A 50 -11.951 -2.868 -1.553 1.00 0.00 C ATOM 99 C ARG A 50 -12.143 -1.787 -0.485 1.00 0.00 C ATOM 100 O ARG A 50 -11.456 -0.785 -0.475 1.00 0.00 O ATOM 101 CB ARG A 50 -10.643 -2.640 -2.319 1.00 0.00 C ATOM 102 CG ARG A 50 -9.512 -2.306 -1.339 1.00 0.00 C ATOM 103 CD ARG A 50 -8.387 -3.333 -1.486 1.00 0.00 C ATOM 104 NE ARG A 50 -8.178 -3.469 -2.953 1.00 0.00 N ATOM 105 CZ ARG A 50 -7.548 -4.506 -3.426 1.00 0.00 C ATOM 106 NH1 ARG A 50 -6.853 -5.267 -2.626 1.00 0.00 N ATOM 107 NH2 ARG A 50 -7.613 -4.783 -4.699 1.00 0.00 N ATOM 0 H ARG A 50 -13.551 -3.640 -2.738 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.959 -3.827 -1.035 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -10.387 -3.531 -2.892 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -10.768 -1.827 -3.034 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.131 -1.304 -1.535 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.890 -2.309 -0.317 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.478 -2.996 -0.987 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -8.662 -4.287 -1.037 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.528 -2.751 -3.587 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.803 -5.050 -1.631 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.359 -6.079 -2.996 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -8.157 -4.188 -5.323 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -7.120 -5.595 -5.070 1.00 0.00 H new ATOM 121 N ASP A 51 -13.056 -1.986 0.424 1.00 0.00 N ATOM 122 CA ASP A 51 -13.265 -0.969 1.493 1.00 0.00 C ATOM 123 C ASP A 51 -11.916 -0.596 2.120 1.00 0.00 C ATOM 124 O ASP A 51 -11.734 0.492 2.630 1.00 0.00 O ATOM 125 CB ASP A 51 -14.167 -1.654 2.522 1.00 0.00 C ATOM 126 CG ASP A 51 -14.925 -0.596 3.328 1.00 0.00 C ATOM 127 OD1 ASP A 51 -14.825 0.569 2.982 1.00 0.00 O ATOM 128 OD2 ASP A 51 -15.591 -0.971 4.279 1.00 0.00 O ATOM 0 H ASP A 51 -13.664 -2.804 0.474 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.711 -0.049 1.116 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -14.872 -2.316 2.019 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -13.568 -2.274 3.189 1.00 0.00 H new ATOM 133 N LEU A 52 -10.970 -1.495 2.079 1.00 0.00 N ATOM 134 CA LEU A 52 -9.627 -1.205 2.665 1.00 0.00 C ATOM 135 C LEU A 52 -9.091 0.123 2.128 1.00 0.00 C ATOM 136 O LEU A 52 -8.545 0.927 2.857 1.00 0.00 O ATOM 137 CB LEU A 52 -8.747 -2.366 2.203 1.00 0.00 C ATOM 138 CG LEU A 52 -7.367 -2.258 2.854 1.00 0.00 C ATOM 139 CD1 LEU A 52 -6.813 -3.660 3.108 1.00 0.00 C ATOM 140 CD2 LEU A 52 -6.418 -1.500 1.922 1.00 0.00 C ATOM 0 H LEU A 52 -11.069 -2.421 1.664 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.655 -1.116 3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.212 -3.315 2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.650 -2.352 1.117 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.454 -1.722 3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.830 -3.584 3.572 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.486 -4.203 3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.728 -4.194 2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.435 -1.424 2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.332 -2.036 0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.811 -0.500 1.738 1.00 0.00 H new ATOM 152 N TYR A 53 -9.243 0.358 0.855 1.00 0.00 N ATOM 153 CA TYR A 53 -8.747 1.632 0.261 1.00 0.00 C ATOM 154 C TYR A 53 -9.306 2.830 1.048 1.00 0.00 C ATOM 155 O TYR A 53 -8.778 3.922 0.987 1.00 0.00 O ATOM 156 CB TYR A 53 -9.272 1.592 -1.187 1.00 0.00 C ATOM 157 CG TYR A 53 -9.506 2.989 -1.721 1.00 0.00 C ATOM 158 CD1 TYR A 53 -8.472 3.932 -1.710 1.00 0.00 C ATOM 159 CD2 TYR A 53 -10.766 3.337 -2.224 1.00 0.00 C ATOM 160 CE1 TYR A 53 -8.698 5.223 -2.204 1.00 0.00 C ATOM 161 CE2 TYR A 53 -10.991 4.626 -2.716 1.00 0.00 C ATOM 162 CZ TYR A 53 -9.958 5.569 -2.706 1.00 0.00 C ATOM 163 OH TYR A 53 -10.181 6.841 -3.192 1.00 0.00 O ATOM 0 H TYR A 53 -9.691 -0.280 0.197 1.00 0.00 H new ATOM 0 HA TYR A 53 -7.663 1.739 0.292 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -8.555 1.072 -1.823 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.202 1.025 -1.224 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.501 3.665 -1.321 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.564 2.609 -2.232 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.900 5.951 -2.198 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -11.963 4.894 -3.104 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.107 6.915 -3.503 1.00 0.00 H new ATOM 173 N SER A 54 -10.366 2.632 1.780 1.00 0.00 N ATOM 174 CA SER A 54 -10.952 3.759 2.561 1.00 0.00 C ATOM 175 C SER A 54 -10.326 3.828 3.958 1.00 0.00 C ATOM 176 O SER A 54 -10.918 4.344 4.888 1.00 0.00 O ATOM 177 CB SER A 54 -12.444 3.436 2.657 1.00 0.00 C ATOM 178 OG SER A 54 -13.183 4.648 2.741 1.00 0.00 O ATOM 0 H SER A 54 -10.852 1.740 1.872 1.00 0.00 H new ATOM 0 HA SER A 54 -10.770 4.725 2.089 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.761 2.863 1.785 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.638 2.817 3.533 1.00 0.00 H new ATOM 0 HG SER A 54 -14.140 4.444 2.801 1.00 0.00 H new ATOM 184 N LYS A 55 -9.134 3.313 4.118 1.00 0.00 N ATOM 185 CA LYS A 55 -8.480 3.354 5.460 1.00 0.00 C ATOM 186 C LYS A 55 -6.952 3.343 5.321 1.00 0.00 C ATOM 187 O LYS A 55 -6.259 4.139 5.923 1.00 0.00 O ATOM 188 CB LYS A 55 -8.951 2.083 6.172 1.00 0.00 C ATOM 189 CG LYS A 55 -10.470 1.945 6.045 1.00 0.00 C ATOM 190 CD LYS A 55 -10.951 0.762 6.890 1.00 0.00 C ATOM 191 CE LYS A 55 -12.444 0.529 6.639 1.00 0.00 C ATOM 192 NZ LYS A 55 -12.814 -0.599 7.537 1.00 0.00 N ATOM 0 H LYS A 55 -8.587 2.868 3.381 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.742 4.259 6.008 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.461 1.211 5.739 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.667 2.119 7.224 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.957 2.862 6.375 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.746 1.795 5.001 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.384 -0.134 6.636 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.776 0.961 7.947 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.026 1.422 6.866 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.635 0.281 5.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.824 -0.817 7.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.248 -1.437 7.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.628 -0.332 8.525 1.00 0.00 H new ATOM 206 N SER A 56 -6.422 2.432 4.552 1.00 0.00 N ATOM 207 CA SER A 56 -4.939 2.349 4.394 1.00 0.00 C ATOM 208 C SER A 56 -4.322 3.735 4.125 1.00 0.00 C ATOM 209 O SER A 56 -4.118 4.514 5.034 1.00 0.00 O ATOM 210 CB SER A 56 -4.723 1.407 3.208 1.00 0.00 C ATOM 211 OG SER A 56 -5.225 0.118 3.534 1.00 0.00 O ATOM 0 H SER A 56 -6.952 1.739 4.024 1.00 0.00 H new ATOM 0 HA SER A 56 -4.455 1.985 5.300 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.230 1.794 2.324 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.662 1.346 2.966 1.00 0.00 H new ATOM 0 HG SER A 56 -4.495 -0.442 3.872 1.00 0.00 H new ATOM 217 N THR A 57 -4.002 4.042 2.892 1.00 0.00 N ATOM 218 CA THR A 57 -3.379 5.363 2.587 1.00 0.00 C ATOM 219 C THR A 57 -4.352 6.513 2.857 1.00 0.00 C ATOM 220 O THR A 57 -4.673 7.287 1.977 1.00 0.00 O ATOM 221 CB THR A 57 -3.031 5.291 1.101 1.00 0.00 C ATOM 222 OG1 THR A 57 -2.245 6.418 0.743 1.00 0.00 O ATOM 223 CG2 THR A 57 -4.317 5.279 0.274 1.00 0.00 C ATOM 0 H THR A 57 -4.146 3.434 2.086 1.00 0.00 H new ATOM 0 HA THR A 57 -2.507 5.554 3.212 1.00 0.00 H new ATOM 0 HB THR A 57 -2.467 4.379 0.904 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.771 7.236 0.866 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.068 5.228 -0.786 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.918 4.412 0.548 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.884 6.189 0.470 1.00 0.00 H new ATOM 231 N ALA A 58 -4.813 6.644 4.071 1.00 0.00 N ATOM 232 CA ALA A 58 -5.750 7.758 4.393 1.00 0.00 C ATOM 233 C ALA A 58 -4.989 8.892 5.089 1.00 0.00 C ATOM 234 O ALA A 58 -5.486 9.512 6.008 1.00 0.00 O ATOM 235 CB ALA A 58 -6.790 7.155 5.338 1.00 0.00 C ATOM 0 H ALA A 58 -4.582 6.030 4.852 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.214 8.177 3.500 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.514 7.920 5.618 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.304 6.334 4.838 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -6.294 6.780 6.233 1.00 0.00 H new ATOM 241 N ALA A 59 -3.784 9.162 4.661 1.00 0.00 N ATOM 242 CA ALA A 59 -2.986 10.251 5.296 1.00 0.00 C ATOM 243 C ALA A 59 -2.618 9.870 6.733 1.00 0.00 C ATOM 244 O ALA A 59 -2.462 10.717 7.590 1.00 0.00 O ATOM 245 CB ALA A 59 -3.902 11.475 5.284 1.00 0.00 C ATOM 0 H ALA A 59 -3.317 8.674 3.897 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.051 10.437 4.768 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.385 12.321 5.736 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.168 11.720 4.256 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.807 11.258 5.851 1.00 0.00 H new ATOM 251 N MET A 60 -2.485 8.599 7.005 1.00 0.00 N ATOM 252 CA MET A 60 -2.137 8.170 8.392 1.00 0.00 C ATOM 253 C MET A 60 -1.173 6.982 8.369 1.00 0.00 C ATOM 254 O MET A 60 -0.484 6.742 7.398 1.00 0.00 O ATOM 255 CB MET A 60 -3.470 7.761 9.019 1.00 0.00 C ATOM 256 CG MET A 60 -4.444 8.939 8.957 1.00 0.00 C ATOM 257 SD MET A 60 -3.808 10.292 9.981 1.00 0.00 S ATOM 258 CE MET A 60 -5.237 10.445 11.081 1.00 0.00 C ATOM 0 H MET A 60 -2.601 7.842 6.331 1.00 0.00 H new ATOM 0 HA MET A 60 -1.640 8.962 8.951 1.00 0.00 H new ATOM 0 HB2 MET A 60 -3.885 6.903 8.490 1.00 0.00 H new ATOM 0 HB3 MET A 60 -3.319 7.454 10.054 1.00 0.00 H new ATOM 0 HG2 MET A 60 -4.565 9.273 7.926 1.00 0.00 H new ATOM 0 HG3 MET A 60 -5.428 8.631 9.310 1.00 0.00 H new ATOM 0 HE1 MET A 60 -5.055 11.238 11.806 1.00 0.00 H new ATOM 0 HE2 MET A 60 -6.123 10.686 10.494 1.00 0.00 H new ATOM 0 HE3 MET A 60 -5.395 9.503 11.606 1.00 0.00 H new ATOM 268 N SER A 61 -1.122 6.238 9.441 1.00 0.00 N ATOM 269 CA SER A 61 -0.207 5.063 9.498 1.00 0.00 C ATOM 270 C SER A 61 1.209 5.469 9.081 1.00 0.00 C ATOM 271 O SER A 61 2.010 5.889 9.894 1.00 0.00 O ATOM 272 CB SER A 61 -0.797 4.059 8.511 1.00 0.00 C ATOM 273 OG SER A 61 -1.936 3.442 9.098 1.00 0.00 O ATOM 0 H SER A 61 -1.677 6.395 10.282 1.00 0.00 H new ATOM 0 HA SER A 61 -0.128 4.647 10.503 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.077 4.562 7.586 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.053 3.306 8.252 1.00 0.00 H new ATOM 0 HG SER A 61 -2.320 2.797 8.468 1.00 0.00 H new ATOM 279 N THR A 62 1.526 5.352 7.820 1.00 0.00 N ATOM 280 CA THR A 62 2.891 5.734 7.355 1.00 0.00 C ATOM 281 C THR A 62 2.862 6.066 5.863 1.00 0.00 C ATOM 282 O THR A 62 2.294 5.341 5.069 1.00 0.00 O ATOM 283 CB THR A 62 3.763 4.503 7.607 1.00 0.00 C ATOM 284 OG1 THR A 62 4.006 4.370 9.001 1.00 0.00 O ATOM 285 CG2 THR A 62 5.093 4.658 6.867 1.00 0.00 C ATOM 0 H THR A 62 0.900 5.009 7.092 1.00 0.00 H new ATOM 0 HA THR A 62 3.270 6.613 7.876 1.00 0.00 H new ATOM 0 HB THR A 62 3.248 3.614 7.243 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.572 5.106 9.480 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.714 3.780 7.047 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.905 4.757 5.798 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.609 5.548 7.228 1.00 0.00 H new ATOM 293 N TYR A 63 3.469 7.152 5.473 1.00 0.00 N ATOM 294 CA TYR A 63 3.469 7.515 4.032 1.00 0.00 C ATOM 295 C TYR A 63 4.219 8.831 3.809 1.00 0.00 C ATOM 296 O TYR A 63 3.651 9.901 3.882 1.00 0.00 O ATOM 297 CB TYR A 63 1.995 7.671 3.669 1.00 0.00 C ATOM 298 CG TYR A 63 1.766 7.111 2.290 1.00 0.00 C ATOM 299 CD1 TYR A 63 1.688 5.727 2.102 1.00 0.00 C ATOM 300 CD2 TYR A 63 1.638 7.976 1.197 1.00 0.00 C ATOM 301 CE1 TYR A 63 1.483 5.207 0.825 1.00 0.00 C ATOM 302 CE2 TYR A 63 1.431 7.455 -0.082 1.00 0.00 C ATOM 303 CZ TYR A 63 1.354 6.070 -0.269 1.00 0.00 C ATOM 304 OH TYR A 63 1.149 5.554 -1.531 1.00 0.00 O ATOM 0 H TYR A 63 3.962 7.800 6.087 1.00 0.00 H new ATOM 0 HA TYR A 63 3.967 6.764 3.419 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.372 7.149 4.395 1.00 0.00 H new ATOM 0 HB3 TYR A 63 1.709 8.722 3.700 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.787 5.061 2.947 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.699 9.044 1.343 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.424 4.138 0.680 1.00 0.00 H new ATOM 0 HE2 TYR A 63 1.330 8.121 -0.927 1.00 0.00 H new ATOM 0 HH TYR A 63 0.844 6.267 -2.130 1.00 0.00 H new ATOM 314 N THR A 64 5.490 8.756 3.531 1.00 0.00 N ATOM 315 CA THR A 64 6.277 10.000 3.292 1.00 0.00 C ATOM 316 C THR A 64 6.449 10.223 1.788 1.00 0.00 C ATOM 317 O THR A 64 6.129 11.271 1.265 1.00 0.00 O ATOM 318 CB THR A 64 7.627 9.745 3.959 1.00 0.00 C ATOM 319 OG1 THR A 64 7.431 8.966 5.130 1.00 0.00 O ATOM 320 CG2 THR A 64 8.273 11.079 4.335 1.00 0.00 C ATOM 0 H THR A 64 6.019 7.887 3.459 1.00 0.00 H new ATOM 0 HA THR A 64 5.790 10.889 3.693 1.00 0.00 H new ATOM 0 HB THR A 64 8.280 9.211 3.269 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.296 8.799 5.560 1.00 0.00 H new ATOM 0 HG21 THR A 64 9.236 10.895 4.811 1.00 0.00 H new ATOM 0 HG22 THR A 64 8.420 11.678 3.436 1.00 0.00 H new ATOM 0 HG23 THR A 64 7.623 11.616 5.026 1.00 0.00 H new ATOM 328 N GLY A 65 6.944 9.238 1.090 1.00 0.00 N ATOM 329 CA GLY A 65 7.126 9.385 -0.381 1.00 0.00 C ATOM 330 C GLY A 65 6.006 8.633 -1.100 1.00 0.00 C ATOM 331 O GLY A 65 4.847 8.750 -0.752 1.00 0.00 O ATOM 0 H GLY A 65 7.230 8.338 1.475 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.110 10.439 -0.659 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.097 8.991 -0.681 1.00 0.00 H new ATOM 335 N ILE A 66 6.338 7.861 -2.096 1.00 0.00 N ATOM 336 CA ILE A 66 5.281 7.104 -2.828 1.00 0.00 C ATOM 337 C ILE A 66 5.900 6.120 -3.829 1.00 0.00 C ATOM 338 O ILE A 66 5.272 5.741 -4.798 1.00 0.00 O ATOM 339 CB ILE A 66 4.469 8.170 -3.566 1.00 0.00 C ATOM 340 CG1 ILE A 66 3.156 7.557 -4.063 1.00 0.00 C ATOM 341 CG2 ILE A 66 5.273 8.693 -4.762 1.00 0.00 C ATOM 342 CD1 ILE A 66 2.390 8.590 -4.891 1.00 0.00 C ATOM 0 H ILE A 66 7.290 7.721 -2.435 1.00 0.00 H new ATOM 0 HA ILE A 66 4.668 6.511 -2.149 1.00 0.00 H new ATOM 0 HB ILE A 66 4.253 8.995 -2.887 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.361 6.672 -4.666 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.551 7.233 -3.217 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.693 9.452 -5.286 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.207 9.130 -4.409 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.491 7.869 -5.442 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.456 8.153 -5.244 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.172 9.462 -4.274 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.995 8.892 -5.746 1.00 0.00 H new ATOM 354 N PHE A 67 7.117 5.698 -3.610 1.00 0.00 N ATOM 355 CA PHE A 67 7.742 4.739 -4.565 1.00 0.00 C ATOM 356 C PHE A 67 9.132 4.307 -4.074 1.00 0.00 C ATOM 357 O PHE A 67 10.067 4.206 -4.842 1.00 0.00 O ATOM 358 CB PHE A 67 7.814 5.501 -5.902 1.00 0.00 C ATOM 359 CG PHE A 67 9.081 6.327 -5.997 1.00 0.00 C ATOM 360 CD1 PHE A 67 9.211 7.510 -5.259 1.00 0.00 C ATOM 361 CD2 PHE A 67 10.123 5.903 -6.830 1.00 0.00 C ATOM 362 CE1 PHE A 67 10.386 8.268 -5.356 1.00 0.00 C ATOM 363 CE2 PHE A 67 11.294 6.659 -6.927 1.00 0.00 C ATOM 364 CZ PHE A 67 11.426 7.842 -6.191 1.00 0.00 C ATOM 0 H PHE A 67 7.700 5.973 -2.819 1.00 0.00 H new ATOM 0 HA PHE A 67 7.169 3.817 -4.664 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.776 4.792 -6.729 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.945 6.152 -6.000 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.407 7.838 -4.616 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.022 4.990 -7.398 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.489 9.180 -4.787 1.00 0.00 H new ATOM 0 HE2 PHE A 67 12.097 6.330 -7.570 1.00 0.00 H new ATOM 0 HZ PHE A 67 12.331 8.427 -6.267 1.00 0.00 H new ATOM 374 N THR A 68 9.272 4.042 -2.806 1.00 0.00 N ATOM 375 CA THR A 68 10.599 3.607 -2.287 1.00 0.00 C ATOM 376 C THR A 68 10.506 2.179 -1.747 1.00 0.00 C ATOM 377 O THR A 68 11.495 1.482 -1.635 1.00 0.00 O ATOM 378 CB THR A 68 10.932 4.589 -1.162 1.00 0.00 C ATOM 379 OG1 THR A 68 9.988 4.441 -0.109 1.00 0.00 O ATOM 380 CG2 THR A 68 10.881 6.020 -1.702 1.00 0.00 C ATOM 0 H THR A 68 8.530 4.107 -2.109 1.00 0.00 H new ATOM 0 HA THR A 68 11.367 3.607 -3.061 1.00 0.00 H new ATOM 0 HB THR A 68 11.932 4.382 -0.782 1.00 0.00 H new ATOM 0 HG1 THR A 68 10.202 5.069 0.613 1.00 0.00 H new ATOM 0 HG21 THR A 68 11.118 6.720 -0.901 1.00 0.00 H new ATOM 0 HG22 THR A 68 11.607 6.131 -2.508 1.00 0.00 H new ATOM 0 HG23 THR A 68 9.881 6.230 -2.083 1.00 0.00 H new ATOM 388 N ASP A 69 9.326 1.743 -1.402 1.00 0.00 N ATOM 389 CA ASP A 69 9.168 0.364 -0.857 1.00 0.00 C ATOM 390 C ASP A 69 9.534 -0.697 -1.905 1.00 0.00 C ATOM 391 O ASP A 69 10.498 -1.422 -1.754 1.00 0.00 O ATOM 392 CB ASP A 69 7.688 0.250 -0.492 1.00 0.00 C ATOM 393 CG ASP A 69 7.346 -1.215 -0.215 1.00 0.00 C ATOM 394 OD1 ASP A 69 8.239 -1.946 0.180 1.00 0.00 O ATOM 395 OD2 ASP A 69 6.198 -1.581 -0.402 1.00 0.00 O ATOM 0 H ASP A 69 8.463 2.282 -1.474 1.00 0.00 H new ATOM 0 HA ASP A 69 9.826 0.196 -0.004 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.470 0.858 0.386 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.071 0.632 -1.305 1.00 0.00 H new ATOM 400 N GLN A 70 8.757 -0.813 -2.949 1.00 0.00 N ATOM 401 CA GLN A 70 9.039 -1.847 -3.991 1.00 0.00 C ATOM 402 C GLN A 70 10.512 -1.840 -4.411 1.00 0.00 C ATOM 403 O GLN A 70 11.240 -2.782 -4.159 1.00 0.00 O ATOM 404 CB GLN A 70 8.138 -1.480 -5.181 1.00 0.00 C ATOM 405 CG GLN A 70 6.645 -1.584 -4.806 1.00 0.00 C ATOM 406 CD GLN A 70 6.405 -2.716 -3.796 1.00 0.00 C ATOM 407 OE1 GLN A 70 6.844 -3.831 -3.997 1.00 0.00 O ATOM 408 NE2 GLN A 70 5.727 -2.467 -2.708 1.00 0.00 N ATOM 0 H GLN A 70 7.936 -0.235 -3.127 1.00 0.00 H new ATOM 0 HA GLN A 70 8.839 -2.850 -3.614 1.00 0.00 H new ATOM 0 HB2 GLN A 70 8.363 -0.466 -5.511 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.352 -2.143 -6.020 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.306 -0.638 -4.384 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.053 -1.762 -5.704 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.359 -1.531 -2.540 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.566 -3.209 -2.027 1.00 0.00 H new ATOM 417 N VAL A 71 10.951 -0.802 -5.068 1.00 0.00 N ATOM 418 CA VAL A 71 12.370 -0.750 -5.527 1.00 0.00 C ATOM 419 C VAL A 71 13.318 -1.297 -4.454 1.00 0.00 C ATOM 420 O VAL A 71 14.265 -1.997 -4.754 1.00 0.00 O ATOM 421 CB VAL A 71 12.664 0.728 -5.778 1.00 0.00 C ATOM 422 CG1 VAL A 71 14.145 0.887 -6.120 1.00 0.00 C ATOM 423 CG2 VAL A 71 11.817 1.231 -6.948 1.00 0.00 C ATOM 0 H VAL A 71 10.388 0.014 -5.308 1.00 0.00 H new ATOM 0 HA VAL A 71 12.518 -1.359 -6.419 1.00 0.00 H new ATOM 0 HB VAL A 71 12.423 1.306 -4.886 1.00 0.00 H new ATOM 0 HG11 VAL A 71 14.366 1.939 -6.301 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.751 0.527 -5.289 1.00 0.00 H new ATOM 0 HG13 VAL A 71 14.376 0.309 -7.015 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.029 2.286 -7.124 1.00 0.00 H new ATOM 0 HG22 VAL A 71 12.057 0.658 -7.844 1.00 0.00 H new ATOM 0 HG23 VAL A 71 10.760 1.108 -6.711 1.00 0.00 H new ATOM 433 N LEU A 72 13.088 -0.977 -3.210 1.00 0.00 N ATOM 434 CA LEU A 72 14.001 -1.479 -2.144 1.00 0.00 C ATOM 435 C LEU A 72 13.548 -2.842 -1.622 1.00 0.00 C ATOM 436 O LEU A 72 13.968 -3.282 -0.568 1.00 0.00 O ATOM 437 CB LEU A 72 13.939 -0.434 -1.034 1.00 0.00 C ATOM 438 CG LEU A 72 15.248 -0.468 -0.250 1.00 0.00 C ATOM 439 CD1 LEU A 72 16.220 0.548 -0.846 1.00 0.00 C ATOM 440 CD2 LEU A 72 14.980 -0.127 1.218 1.00 0.00 C ATOM 0 H LEU A 72 12.315 -0.395 -2.887 1.00 0.00 H new ATOM 0 HA LEU A 72 15.014 -1.617 -2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.779 0.557 -1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.097 -0.637 -0.372 1.00 0.00 H new ATOM 0 HG LEU A 72 15.682 -1.466 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.156 0.526 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 72 16.413 0.298 -1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 72 15.785 1.546 -0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 72 15.917 -0.152 1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 72 14.544 0.870 1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 72 14.288 -0.855 1.640 1.00 0.00 H new ATOM 452 N SER A 73 12.712 -3.525 -2.349 1.00 0.00 N ATOM 453 CA SER A 73 12.258 -4.866 -1.885 1.00 0.00 C ATOM 454 C SER A 73 12.787 -5.940 -2.839 1.00 0.00 C ATOM 455 O SER A 73 12.185 -6.976 -3.028 1.00 0.00 O ATOM 456 CB SER A 73 10.733 -4.807 -1.912 1.00 0.00 C ATOM 457 OG SER A 73 10.285 -4.774 -3.262 1.00 0.00 O ATOM 0 H SER A 73 12.324 -3.216 -3.240 1.00 0.00 H new ATOM 0 HA SER A 73 12.623 -5.114 -0.888 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.315 -5.674 -1.400 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.383 -3.923 -1.379 1.00 0.00 H new ATOM 0 HG SER A 73 10.877 -4.197 -3.789 1.00 0.00 H new ATOM 463 N VAL A 74 13.916 -5.687 -3.438 1.00 0.00 N ATOM 464 CA VAL A 74 14.513 -6.671 -4.386 1.00 0.00 C ATOM 465 C VAL A 74 16.018 -6.780 -4.127 1.00 0.00 C ATOM 466 O VAL A 74 16.586 -7.855 -4.117 1.00 0.00 O ATOM 467 CB VAL A 74 14.258 -6.083 -5.775 1.00 0.00 C ATOM 468 CG1 VAL A 74 15.148 -6.786 -6.800 1.00 0.00 C ATOM 469 CG2 VAL A 74 12.790 -6.281 -6.157 1.00 0.00 C ATOM 0 H VAL A 74 14.457 -4.832 -3.311 1.00 0.00 H new ATOM 0 HA VAL A 74 14.087 -7.669 -4.280 1.00 0.00 H new ATOM 0 HB VAL A 74 14.489 -5.018 -5.762 1.00 0.00 H new ATOM 0 HG11 VAL A 74 14.965 -6.366 -7.789 1.00 0.00 H new ATOM 0 HG12 VAL A 74 16.195 -6.642 -6.532 1.00 0.00 H new ATOM 0 HG13 VAL A 74 14.919 -7.852 -6.810 1.00 0.00 H new ATOM 0 HG21 VAL A 74 12.612 -5.861 -7.147 1.00 0.00 H new ATOM 0 HG22 VAL A 74 12.557 -7.346 -6.167 1.00 0.00 H new ATOM 0 HG23 VAL A 74 12.154 -5.777 -5.429 1.00 0.00 H new ATOM 479 N LEU A 75 16.660 -5.665 -3.916 1.00 0.00 N ATOM 480 CA LEU A 75 18.129 -5.676 -3.654 1.00 0.00 C ATOM 481 C LEU A 75 18.448 -6.579 -2.462 1.00 0.00 C ATOM 482 O LEU A 75 19.347 -7.395 -2.512 1.00 0.00 O ATOM 483 CB LEU A 75 18.471 -4.221 -3.327 1.00 0.00 C ATOM 484 CG LEU A 75 19.899 -3.904 -3.775 1.00 0.00 C ATOM 485 CD1 LEU A 75 20.856 -4.973 -3.246 1.00 0.00 C ATOM 486 CD2 LEU A 75 19.959 -3.876 -5.304 1.00 0.00 C ATOM 0 H LEU A 75 16.229 -4.741 -3.914 1.00 0.00 H new ATOM 0 HA LEU A 75 18.701 -6.057 -4.500 1.00 0.00 H new ATOM 0 HB2 LEU A 75 17.768 -3.553 -3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 75 18.371 -4.047 -2.256 1.00 0.00 H new ATOM 0 HG LEU A 75 20.193 -2.931 -3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 75 21.872 -4.743 -3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 75 20.815 -4.991 -2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 75 20.564 -5.948 -3.636 1.00 0.00 H new ATOM 0 HD21 LEU A 75 20.976 -3.650 -5.624 1.00 0.00 H new ATOM 0 HD22 LEU A 75 19.662 -4.848 -5.698 1.00 0.00 H new ATOM 0 HD23 LEU A 75 19.282 -3.110 -5.681 1.00 0.00 H new ATOM 498 N LYS A 76 17.724 -6.435 -1.385 1.00 0.00 N ATOM 499 CA LYS A 76 17.992 -7.279 -0.186 1.00 0.00 C ATOM 500 C LYS A 76 16.704 -7.957 0.292 1.00 0.00 C ATOM 501 O LYS A 76 16.587 -8.351 1.437 1.00 0.00 O ATOM 502 CB LYS A 76 18.506 -6.299 0.868 1.00 0.00 C ATOM 503 CG LYS A 76 18.759 -7.042 2.180 1.00 0.00 C ATOM 504 CD LYS A 76 20.112 -6.616 2.751 1.00 0.00 C ATOM 505 CE LYS A 76 20.803 -7.823 3.390 1.00 0.00 C ATOM 506 NZ LYS A 76 22.241 -7.676 3.034 1.00 0.00 N ATOM 0 H LYS A 76 16.958 -5.769 -1.284 1.00 0.00 H new ATOM 0 HA LYS A 76 18.706 -8.077 -0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 76 19.426 -5.827 0.522 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.778 -5.503 1.024 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.965 -6.823 2.894 1.00 0.00 H new ATOM 0 HG3 LYS A 76 18.746 -8.119 2.010 1.00 0.00 H new ATOM 0 HD2 LYS A 76 20.738 -6.203 1.960 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.974 -5.829 3.492 1.00 0.00 H new ATOM 0 HE2 LYS A 76 20.663 -7.832 4.471 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.395 -8.759 3.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 22.781 -8.468 3.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 22.344 -7.678 1.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 22.603 -6.779 3.416 1.00 0.00 H new ATOM 520 N GLY A 77 15.736 -8.098 -0.574 1.00 0.00 N ATOM 521 CA GLY A 77 14.458 -8.750 -0.165 1.00 0.00 C ATOM 522 C GLY A 77 14.026 -8.221 1.204 1.00 0.00 C ATOM 523 O GLY A 77 13.696 -7.062 1.354 1.00 0.00 O ATOM 0 H GLY A 77 15.775 -7.790 -1.546 1.00 0.00 H new ATOM 0 HA2 GLY A 77 13.683 -8.549 -0.905 1.00 0.00 H new ATOM 0 HA3 GLY A 77 14.587 -9.832 -0.124 1.00 0.00 H new ATOM 527 N GLU A 78 14.026 -9.060 2.205 1.00 0.00 N ATOM 528 CA GLU A 78 13.617 -8.599 3.566 1.00 0.00 C ATOM 529 C GLU A 78 14.520 -7.448 4.020 1.00 0.00 C ATOM 530 O GLU A 78 15.472 -7.642 4.749 1.00 0.00 O ATOM 531 CB GLU A 78 13.797 -9.821 4.470 1.00 0.00 C ATOM 532 CG GLU A 78 13.617 -9.410 5.934 1.00 0.00 C ATOM 533 CD GLU A 78 12.289 -8.671 6.104 1.00 0.00 C ATOM 534 OE1 GLU A 78 11.434 -8.824 5.248 1.00 0.00 O ATOM 535 OE2 GLU A 78 12.150 -7.962 7.088 1.00 0.00 O ATOM 0 H GLU A 78 14.291 -10.043 2.141 1.00 0.00 H new ATOM 0 HA GLU A 78 12.592 -8.228 3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.072 -10.591 4.206 1.00 0.00 H new ATOM 0 HB3 GLU A 78 14.787 -10.252 4.322 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.638 -10.292 6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.442 -8.770 6.246 1.00 0.00 H new ATOM 542 N GLU A 79 14.230 -6.250 3.589 1.00 0.00 N ATOM 543 CA GLU A 79 15.072 -5.086 3.988 1.00 0.00 C ATOM 544 C GLU A 79 14.188 -3.955 4.524 1.00 0.00 C ATOM 545 O GLU A 79 14.724 -3.058 5.156 1.00 0.00 O ATOM 546 CB GLU A 79 15.776 -4.657 2.700 1.00 0.00 C ATOM 547 CG GLU A 79 16.341 -3.244 2.865 1.00 0.00 C ATOM 548 CD GLU A 79 16.995 -2.802 1.555 1.00 0.00 C ATOM 549 OE1 GLU A 79 16.959 -3.572 0.609 1.00 0.00 O ATOM 550 OE2 GLU A 79 17.520 -1.702 1.520 1.00 0.00 O ATOM 551 OXT GLU A 79 12.992 -4.006 4.294 1.00 0.00 O ATOM 0 H GLU A 79 13.445 -6.027 2.977 1.00 0.00 H new ATOM 0 HA GLU A 79 15.781 -5.333 4.778 1.00 0.00 H new ATOM 0 HB2 GLU A 79 16.579 -5.355 2.464 1.00 0.00 H new ATOM 0 HB3 GLU A 79 15.075 -4.683 1.865 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.545 -2.552 3.138 1.00 0.00 H new ATOM 0 HG3 GLU A 79 17.072 -3.225 3.674 1.00 0.00 H new TER 558 GLU A 79