USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=11 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 Set 1.1: A 60 MET CE :methyl -137:sc= -1.55 (180deg=-3.14!) USER MOD Set 1.2: A 61 SER OG : rot 180:sc= -0.466 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= -1.84! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 62:sc= -2.17! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -63:sc= 1.04 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -4.08! C(o=-4.1!,f=-13!) USER MOD Single : A 73 SER OG : rot 47:sc= -1.82! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 44 -26.819 -11.037 11.853 1.00 0.00 N ATOM 2 CA ALA A 44 -27.118 -9.962 10.861 1.00 0.00 C ATOM 3 C ALA A 44 -25.830 -9.529 10.153 1.00 0.00 C ATOM 4 O ALA A 44 -24.913 -9.028 10.772 1.00 0.00 O ATOM 5 CB ALA A 44 -27.680 -8.804 11.686 1.00 0.00 C ATOM 0 HA ALA A 44 -27.816 -10.294 10.092 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -27.925 -7.972 11.026 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -28.580 -9.131 12.207 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -26.936 -8.482 12.415 1.00 0.00 H new ATOM 13 N VAL A 45 -25.753 -9.716 8.862 1.00 0.00 N ATOM 14 CA VAL A 45 -24.523 -9.310 8.124 1.00 0.00 C ATOM 15 C VAL A 45 -24.902 -8.527 6.864 1.00 0.00 C ATOM 16 O VAL A 45 -24.990 -9.078 5.786 1.00 0.00 O ATOM 17 CB VAL A 45 -23.836 -10.622 7.753 1.00 0.00 C ATOM 18 CG1 VAL A 45 -22.651 -10.337 6.825 1.00 0.00 C ATOM 19 CG2 VAL A 45 -23.335 -11.313 9.026 1.00 0.00 C ATOM 0 H VAL A 45 -26.487 -10.131 8.288 1.00 0.00 H new ATOM 0 HA VAL A 45 -23.875 -8.665 8.718 1.00 0.00 H new ATOM 0 HB VAL A 45 -24.547 -11.272 7.242 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -22.162 -11.275 6.561 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -23.008 -9.847 5.919 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -21.939 -9.687 7.333 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -22.844 -12.250 8.762 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -22.625 -10.663 9.538 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -24.179 -11.518 9.685 1.00 0.00 H new ATOM 29 N ASP A 46 -25.134 -7.249 6.993 1.00 0.00 N ATOM 30 CA ASP A 46 -25.516 -6.443 5.798 1.00 0.00 C ATOM 31 C ASP A 46 -25.046 -4.994 5.951 1.00 0.00 C ATOM 32 O ASP A 46 -25.807 -4.062 5.770 1.00 0.00 O ATOM 33 CB ASP A 46 -27.042 -6.506 5.760 1.00 0.00 C ATOM 34 CG ASP A 46 -27.494 -7.229 4.489 1.00 0.00 C ATOM 35 OD1 ASP A 46 -26.745 -7.218 3.526 1.00 0.00 O ATOM 36 OD2 ASP A 46 -28.580 -7.784 4.504 1.00 0.00 O ATOM 0 H ASP A 46 -25.076 -6.730 7.869 1.00 0.00 H new ATOM 0 HA ASP A 46 -25.061 -6.824 4.883 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -27.417 -7.028 6.640 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -27.458 -5.499 5.785 1.00 0.00 H new ATOM 41 N GLU A 47 -23.799 -4.789 6.274 1.00 0.00 N ATOM 42 CA GLU A 47 -23.293 -3.396 6.426 1.00 0.00 C ATOM 43 C GLU A 47 -21.866 -3.294 5.881 1.00 0.00 C ATOM 44 O GLU A 47 -20.926 -3.036 6.608 1.00 0.00 O ATOM 45 CB GLU A 47 -23.324 -3.122 7.934 1.00 0.00 C ATOM 46 CG GLU A 47 -23.093 -1.628 8.198 1.00 0.00 C ATOM 47 CD GLU A 47 -23.955 -0.791 7.249 1.00 0.00 C ATOM 48 OE1 GLU A 47 -25.146 -1.048 7.177 1.00 0.00 O ATOM 49 OE2 GLU A 47 -23.407 0.089 6.607 1.00 0.00 O ATOM 0 H GLU A 47 -23.110 -5.523 6.439 1.00 0.00 H new ATOM 0 HA GLU A 47 -23.893 -2.672 5.874 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -24.284 -3.429 8.349 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -22.557 -3.712 8.436 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -23.340 -1.390 9.233 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -22.040 -1.384 8.058 1.00 0.00 H new ATOM 56 N LYS A 48 -21.701 -3.497 4.602 1.00 0.00 N ATOM 57 CA LYS A 48 -20.341 -3.416 3.998 1.00 0.00 C ATOM 58 C LYS A 48 -20.209 -2.141 3.161 1.00 0.00 C ATOM 59 O LYS A 48 -20.079 -2.193 1.954 1.00 0.00 O ATOM 60 CB LYS A 48 -20.235 -4.656 3.108 1.00 0.00 C ATOM 61 CG LYS A 48 -18.763 -4.965 2.828 1.00 0.00 C ATOM 62 CD LYS A 48 -18.374 -4.401 1.461 1.00 0.00 C ATOM 63 CE LYS A 48 -17.439 -5.381 0.749 1.00 0.00 C ATOM 64 NZ LYS A 48 -16.543 -4.526 -0.079 1.00 0.00 N ATOM 0 H LYS A 48 -22.452 -3.716 3.948 1.00 0.00 H new ATOM 0 HA LYS A 48 -19.553 -3.383 4.751 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -20.709 -5.508 3.596 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -20.766 -4.490 2.171 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -18.135 -4.529 3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -18.596 -6.042 2.850 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -19.267 -4.232 0.859 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -17.882 -3.436 1.581 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -16.869 -5.973 1.465 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -17.999 -6.082 0.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -15.872 -5.127 -0.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -17.113 -3.979 -0.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -16.018 -3.874 0.538 1.00 0.00 H new ATOM 78 N LEU A 49 -20.244 -0.997 3.791 1.00 0.00 N ATOM 79 CA LEU A 49 -20.122 0.281 3.032 1.00 0.00 C ATOM 80 C LEU A 49 -19.037 0.156 1.960 1.00 0.00 C ATOM 81 O LEU A 49 -18.160 -0.681 2.047 1.00 0.00 O ATOM 82 CB LEU A 49 -19.731 1.326 4.079 1.00 0.00 C ATOM 83 CG LEU A 49 -20.961 1.697 4.908 1.00 0.00 C ATOM 84 CD1 LEU A 49 -20.526 2.099 6.319 1.00 0.00 C ATOM 85 CD2 LEU A 49 -21.687 2.870 4.244 1.00 0.00 C ATOM 0 H LEU A 49 -20.352 -0.893 4.800 1.00 0.00 H new ATOM 0 HA LEU A 49 -21.045 0.548 2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -18.947 0.933 4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -19.326 2.213 3.591 1.00 0.00 H new ATOM 0 HG LEU A 49 -21.631 0.839 4.967 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -21.404 2.363 6.909 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -20.009 1.264 6.792 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -19.855 2.956 6.263 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -22.564 3.136 4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -21.016 3.727 4.185 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -21.998 2.584 3.239 1.00 0.00 H new ATOM 97 N ARG A 50 -19.090 0.975 0.947 1.00 0.00 N ATOM 98 CA ARG A 50 -18.062 0.888 -0.128 1.00 0.00 C ATOM 99 C ARG A 50 -16.673 1.208 0.434 1.00 0.00 C ATOM 100 O ARG A 50 -16.107 2.246 0.154 1.00 0.00 O ATOM 101 CB ARG A 50 -18.483 1.933 -1.170 1.00 0.00 C ATOM 102 CG ARG A 50 -17.313 2.234 -2.120 1.00 0.00 C ATOM 103 CD ARG A 50 -17.702 1.880 -3.558 1.00 0.00 C ATOM 104 NE ARG A 50 -19.075 2.424 -3.744 1.00 0.00 N ATOM 105 CZ ARG A 50 -19.721 2.206 -4.860 1.00 0.00 C ATOM 106 NH1 ARG A 50 -19.193 1.458 -5.792 1.00 0.00 N ATOM 107 NH2 ARG A 50 -20.898 2.738 -5.044 1.00 0.00 N ATOM 0 H ARG A 50 -19.797 1.698 0.817 1.00 0.00 H new ATOM 0 HA ARG A 50 -18.001 -0.111 -0.559 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -19.338 1.567 -1.738 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -18.801 2.848 -0.671 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -17.044 3.288 -2.056 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -16.434 1.662 -1.821 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -17.006 2.319 -4.272 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -17.682 0.802 -3.716 1.00 0.00 H new ATOM 0 HE ARG A 50 -19.513 2.968 -3.000 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -18.273 1.041 -5.651 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -19.701 1.291 -6.661 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -21.313 3.323 -4.318 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -21.404 2.569 -5.914 1.00 0.00 H new ATOM 121 N ASP A 51 -16.106 0.317 1.203 1.00 0.00 N ATOM 122 CA ASP A 51 -14.741 0.576 1.745 1.00 0.00 C ATOM 123 C ASP A 51 -13.771 0.735 0.577 1.00 0.00 C ATOM 124 O ASP A 51 -12.698 1.289 0.708 1.00 0.00 O ATOM 125 CB ASP A 51 -14.392 -0.668 2.563 1.00 0.00 C ATOM 126 CG ASP A 51 -15.208 -0.675 3.855 1.00 0.00 C ATOM 127 OD1 ASP A 51 -16.291 -0.115 3.851 1.00 0.00 O ATOM 128 OD2 ASP A 51 -14.734 -1.237 4.829 1.00 0.00 O ATOM 0 H ASP A 51 -16.525 -0.572 1.477 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.688 1.480 2.352 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -14.601 -1.567 1.984 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -13.327 -0.678 2.793 1.00 0.00 H new ATOM 133 N LEU A 52 -14.158 0.249 -0.570 1.00 0.00 N ATOM 134 CA LEU A 52 -13.293 0.359 -1.773 1.00 0.00 C ATOM 135 C LEU A 52 -12.653 1.747 -1.835 1.00 0.00 C ATOM 136 O LEU A 52 -11.454 1.897 -1.710 1.00 0.00 O ATOM 137 CB LEU A 52 -14.261 0.155 -2.940 1.00 0.00 C ATOM 138 CG LEU A 52 -13.520 0.315 -4.266 1.00 0.00 C ATOM 139 CD1 LEU A 52 -12.871 -1.015 -4.652 1.00 0.00 C ATOM 140 CD2 LEU A 52 -14.515 0.731 -5.352 1.00 0.00 C ATOM 0 H LEU A 52 -15.048 -0.225 -0.724 1.00 0.00 H new ATOM 0 HA LEU A 52 -12.474 -0.361 -1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -14.710 -0.837 -2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -15.075 0.878 -2.879 1.00 0.00 H new ATOM 0 HG LEU A 52 -12.748 1.078 -4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.342 -0.901 -5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -12.166 -1.315 -3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -13.641 -1.779 -4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -13.991 0.847 -6.301 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -15.284 -0.035 -5.453 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -14.980 1.678 -5.076 1.00 0.00 H new ATOM 152 N TYR A 53 -13.449 2.761 -2.027 1.00 0.00 N ATOM 153 CA TYR A 53 -12.905 4.147 -2.098 1.00 0.00 C ATOM 154 C TYR A 53 -11.960 4.413 -0.924 1.00 0.00 C ATOM 155 O TYR A 53 -10.981 5.122 -1.049 1.00 0.00 O ATOM 156 CB TYR A 53 -14.137 5.046 -2.000 1.00 0.00 C ATOM 157 CG TYR A 53 -13.830 6.400 -2.586 1.00 0.00 C ATOM 158 CD1 TYR A 53 -13.790 6.565 -3.975 1.00 0.00 C ATOM 159 CD2 TYR A 53 -13.594 7.491 -1.742 1.00 0.00 C ATOM 160 CE1 TYR A 53 -13.515 7.823 -4.521 1.00 0.00 C ATOM 161 CE2 TYR A 53 -13.318 8.750 -2.288 1.00 0.00 C ATOM 162 CZ TYR A 53 -13.279 8.915 -3.678 1.00 0.00 C ATOM 163 OH TYR A 53 -13.007 10.157 -4.217 1.00 0.00 O ATOM 0 H TYR A 53 -14.460 2.689 -2.139 1.00 0.00 H new ATOM 0 HA TYR A 53 -12.332 4.321 -3.008 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -14.973 4.591 -2.531 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -14.440 5.151 -0.958 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -13.971 5.722 -4.625 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -13.625 7.362 -0.670 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.485 7.952 -5.593 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.135 9.593 -1.638 1.00 0.00 H new ATOM 0 HH TYR A 53 -12.869 10.804 -3.494 1.00 0.00 H new ATOM 173 N SER A 54 -12.255 3.864 0.220 1.00 0.00 N ATOM 174 CA SER A 54 -11.387 4.097 1.407 1.00 0.00 C ATOM 175 C SER A 54 -10.103 3.263 1.325 1.00 0.00 C ATOM 176 O SER A 54 -9.196 3.434 2.116 1.00 0.00 O ATOM 177 CB SER A 54 -12.239 3.666 2.602 1.00 0.00 C ATOM 178 OG SER A 54 -11.483 2.803 3.441 1.00 0.00 O ATOM 0 H SER A 54 -13.062 3.262 0.385 1.00 0.00 H new ATOM 0 HA SER A 54 -11.067 5.136 1.481 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.565 4.542 3.163 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.138 3.157 2.255 1.00 0.00 H new ATOM 0 HG SER A 54 -12.030 2.529 4.207 1.00 0.00 H new ATOM 184 N LYS A 55 -10.013 2.361 0.385 1.00 0.00 N ATOM 185 CA LYS A 55 -8.778 1.527 0.277 1.00 0.00 C ATOM 186 C LYS A 55 -8.555 1.070 -1.166 1.00 0.00 C ATOM 187 O LYS A 55 -8.198 -0.065 -1.413 1.00 0.00 O ATOM 188 CB LYS A 55 -9.039 0.313 1.170 1.00 0.00 C ATOM 189 CG LYS A 55 -9.582 0.773 2.523 1.00 0.00 C ATOM 190 CD LYS A 55 -9.706 -0.432 3.457 1.00 0.00 C ATOM 191 CE LYS A 55 -11.181 -0.678 3.780 1.00 0.00 C ATOM 192 NZ LYS A 55 -11.178 -1.312 5.129 1.00 0.00 N ATOM 0 H LYS A 55 -10.735 2.165 -0.309 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.890 2.084 0.576 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.753 -0.356 0.690 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.117 -0.252 1.311 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.917 1.519 2.960 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.554 1.249 2.394 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.273 -1.315 2.987 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.147 -0.253 4.375 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.746 0.254 3.783 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.645 -1.329 3.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.156 -1.512 5.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.639 -2.201 5.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.737 -0.667 5.815 1.00 0.00 H new ATOM 206 N SER A 56 -8.763 1.930 -2.123 1.00 0.00 N ATOM 207 CA SER A 56 -8.559 1.509 -3.538 1.00 0.00 C ATOM 208 C SER A 56 -7.719 2.532 -4.310 1.00 0.00 C ATOM 209 O SER A 56 -6.677 2.209 -4.843 1.00 0.00 O ATOM 210 CB SER A 56 -9.963 1.416 -4.134 1.00 0.00 C ATOM 211 OG SER A 56 -10.711 0.439 -3.422 1.00 0.00 O ATOM 0 H SER A 56 -9.062 2.896 -1.990 1.00 0.00 H new ATOM 0 HA SER A 56 -8.020 0.564 -3.597 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.460 2.384 -4.077 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.906 1.149 -5.189 1.00 0.00 H new ATOM 0 HG SER A 56 -10.797 0.712 -2.485 1.00 0.00 H new ATOM 217 N THR A 57 -8.165 3.756 -4.397 1.00 0.00 N ATOM 218 CA THR A 57 -7.376 4.765 -5.163 1.00 0.00 C ATOM 219 C THR A 57 -6.719 5.786 -4.224 1.00 0.00 C ATOM 220 O THR A 57 -6.412 6.894 -4.620 1.00 0.00 O ATOM 221 CB THR A 57 -8.392 5.426 -6.113 1.00 0.00 C ATOM 222 OG1 THR A 57 -7.711 5.897 -7.267 1.00 0.00 O ATOM 223 CG2 THR A 57 -9.101 6.601 -5.428 1.00 0.00 C ATOM 0 H THR A 57 -9.029 4.099 -3.977 1.00 0.00 H new ATOM 0 HA THR A 57 -6.552 4.312 -5.714 1.00 0.00 H new ATOM 0 HB THR A 57 -9.142 4.685 -6.391 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.353 6.318 -7.877 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.813 7.050 -6.120 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.630 6.242 -4.545 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.364 7.347 -5.131 1.00 0.00 H new ATOM 231 N ALA A 58 -6.486 5.424 -2.992 1.00 0.00 N ATOM 232 CA ALA A 58 -5.832 6.383 -2.056 1.00 0.00 C ATOM 233 C ALA A 58 -4.320 6.365 -2.286 1.00 0.00 C ATOM 234 O ALA A 58 -3.545 6.145 -1.377 1.00 0.00 O ATOM 235 CB ALA A 58 -6.177 5.882 -0.651 1.00 0.00 C ATOM 0 H ALA A 58 -6.718 4.513 -2.595 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.171 7.409 -2.202 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.727 6.542 0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.259 5.876 -0.523 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.790 4.871 -0.520 1.00 0.00 H new ATOM 241 N ALA A 59 -3.899 6.593 -3.503 1.00 0.00 N ATOM 242 CA ALA A 59 -2.438 6.591 -3.817 1.00 0.00 C ATOM 243 C ALA A 59 -1.882 5.164 -3.754 1.00 0.00 C ATOM 244 O ALA A 59 -0.694 4.958 -3.609 1.00 0.00 O ATOM 245 CB ALA A 59 -1.790 7.474 -2.746 1.00 0.00 C ATOM 0 H ALA A 59 -4.509 6.782 -4.299 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.235 6.964 -4.821 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.714 7.519 -2.914 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.208 8.479 -2.801 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.986 7.053 -1.760 1.00 0.00 H new ATOM 251 N MET A 60 -2.731 4.179 -3.867 1.00 0.00 N ATOM 252 CA MET A 60 -2.249 2.768 -3.819 1.00 0.00 C ATOM 253 C MET A 60 -1.520 2.421 -5.123 1.00 0.00 C ATOM 254 O MET A 60 -0.334 2.652 -5.260 1.00 0.00 O ATOM 255 CB MET A 60 -3.521 1.931 -3.659 1.00 0.00 C ATOM 256 CG MET A 60 -3.200 0.443 -3.838 1.00 0.00 C ATOM 257 SD MET A 60 -4.616 -0.387 -4.602 1.00 0.00 S ATOM 258 CE MET A 60 -3.711 -1.216 -5.933 1.00 0.00 C ATOM 0 H MET A 60 -3.737 4.290 -3.990 1.00 0.00 H new ATOM 0 HA MET A 60 -1.542 2.588 -3.009 1.00 0.00 H new ATOM 0 HB2 MET A 60 -3.956 2.101 -2.674 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.264 2.241 -4.393 1.00 0.00 H new ATOM 0 HG2 MET A 60 -2.314 0.323 -4.461 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.975 -0.011 -2.873 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.272 -1.130 -6.863 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.734 -0.749 -6.054 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.581 -2.269 -5.684 1.00 0.00 H new ATOM 268 N SER A 61 -2.216 1.877 -6.083 1.00 0.00 N ATOM 269 CA SER A 61 -1.558 1.529 -7.374 1.00 0.00 C ATOM 270 C SER A 61 -1.072 2.806 -8.062 1.00 0.00 C ATOM 271 O SER A 61 -1.175 3.881 -7.509 1.00 0.00 O ATOM 272 CB SER A 61 -2.640 0.850 -8.211 1.00 0.00 C ATOM 273 OG SER A 61 -3.916 1.111 -7.638 1.00 0.00 O ATOM 0 H SER A 61 -3.211 1.659 -6.030 1.00 0.00 H new ATOM 0 HA SER A 61 -0.693 0.881 -7.237 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.607 1.219 -9.236 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.461 -0.224 -8.253 1.00 0.00 H new ATOM 0 HG SER A 61 -4.611 0.677 -8.176 1.00 0.00 H new ATOM 279 N THR A 62 -0.546 2.687 -9.258 1.00 0.00 N ATOM 280 CA THR A 62 -0.040 3.883 -10.005 1.00 0.00 C ATOM 281 C THR A 62 1.135 4.530 -9.248 1.00 0.00 C ATOM 282 O THR A 62 2.226 4.644 -9.770 1.00 0.00 O ATOM 283 CB THR A 62 -1.249 4.834 -10.135 1.00 0.00 C ATOM 284 OG1 THR A 62 -2.007 4.467 -11.280 1.00 0.00 O ATOM 285 CG2 THR A 62 -0.776 6.283 -10.292 1.00 0.00 C ATOM 0 H THR A 62 -0.445 1.802 -9.754 1.00 0.00 H new ATOM 0 HA THR A 62 0.349 3.624 -10.990 1.00 0.00 H new ATOM 0 HB THR A 62 -1.859 4.756 -9.235 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.778 5.066 -11.368 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.641 6.940 -10.382 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.191 6.571 -9.419 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.159 6.370 -11.187 1.00 0.00 H new ATOM 293 N TYR A 63 0.928 4.941 -8.027 1.00 0.00 N ATOM 294 CA TYR A 63 2.040 5.563 -7.249 1.00 0.00 C ATOM 295 C TYR A 63 2.343 4.721 -6.006 1.00 0.00 C ATOM 296 O TYR A 63 2.132 5.149 -4.889 1.00 0.00 O ATOM 297 CB TYR A 63 1.531 6.945 -6.837 1.00 0.00 C ATOM 298 CG TYR A 63 2.709 7.863 -6.611 1.00 0.00 C ATOM 299 CD1 TYR A 63 3.524 7.688 -5.485 1.00 0.00 C ATOM 300 CD2 TYR A 63 2.991 8.883 -7.527 1.00 0.00 C ATOM 301 CE1 TYR A 63 4.619 8.534 -5.275 1.00 0.00 C ATOM 302 CE2 TYR A 63 4.087 9.731 -7.316 1.00 0.00 C ATOM 303 CZ TYR A 63 4.901 9.555 -6.191 1.00 0.00 C ATOM 304 OH TYR A 63 5.980 10.391 -5.983 1.00 0.00 O ATOM 0 H TYR A 63 0.038 4.874 -7.533 1.00 0.00 H new ATOM 0 HA TYR A 63 2.958 5.628 -7.833 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.881 7.352 -7.612 1.00 0.00 H new ATOM 0 HB3 TYR A 63 0.934 6.869 -5.928 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.307 6.900 -4.779 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.364 9.017 -8.396 1.00 0.00 H new ATOM 0 HE1 TYR A 63 5.247 8.399 -4.406 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.303 10.520 -8.021 1.00 0.00 H new ATOM 0 HH TYR A 63 6.034 11.043 -6.713 1.00 0.00 H new ATOM 314 N THR A 64 2.835 3.526 -6.191 1.00 0.00 N ATOM 315 CA THR A 64 3.146 2.661 -5.016 1.00 0.00 C ATOM 316 C THR A 64 4.656 2.449 -4.894 1.00 0.00 C ATOM 317 O THR A 64 5.259 2.756 -3.885 1.00 0.00 O ATOM 318 CB THR A 64 2.457 1.324 -5.301 1.00 0.00 C ATOM 319 OG1 THR A 64 1.578 1.462 -6.412 1.00 0.00 O ATOM 320 CG2 THR A 64 1.667 0.881 -4.068 1.00 0.00 C ATOM 0 H THR A 64 3.035 3.112 -7.102 1.00 0.00 H new ATOM 0 HA THR A 64 2.804 3.111 -4.084 1.00 0.00 H new ATOM 0 HB THR A 64 3.212 0.573 -5.534 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.870 2.103 -6.192 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.177 -0.071 -4.272 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.346 0.766 -3.223 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.914 1.632 -3.829 1.00 0.00 H new ATOM 328 N GLY A 65 5.267 1.909 -5.913 1.00 0.00 N ATOM 329 CA GLY A 65 6.734 1.658 -5.854 1.00 0.00 C ATOM 330 C GLY A 65 7.503 2.853 -6.421 1.00 0.00 C ATOM 331 O GLY A 65 7.225 3.329 -7.504 1.00 0.00 O ATOM 0 H GLY A 65 4.813 1.631 -6.783 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.037 1.478 -4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.979 0.759 -6.419 1.00 0.00 H new ATOM 335 N ILE A 66 8.476 3.331 -5.697 1.00 0.00 N ATOM 336 CA ILE A 66 9.283 4.487 -6.182 1.00 0.00 C ATOM 337 C ILE A 66 10.397 4.791 -5.177 1.00 0.00 C ATOM 338 O ILE A 66 10.623 5.924 -4.804 1.00 0.00 O ATOM 339 CB ILE A 66 8.299 5.653 -6.277 1.00 0.00 C ATOM 340 CG1 ILE A 66 9.015 6.859 -6.917 1.00 0.00 C ATOM 341 CG2 ILE A 66 7.790 6.001 -4.872 1.00 0.00 C ATOM 342 CD1 ILE A 66 8.303 8.170 -6.554 1.00 0.00 C ATOM 0 H ILE A 66 8.749 2.968 -4.784 1.00 0.00 H new ATOM 0 HA ILE A 66 9.761 4.293 -7.142 1.00 0.00 H new ATOM 0 HB ILE A 66 7.444 5.382 -6.897 1.00 0.00 H new ATOM 0 HG12 ILE A 66 10.050 6.896 -6.577 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.039 6.741 -8.000 1.00 0.00 H new ATOM 0 HG21 ILE A 66 7.088 6.832 -4.935 1.00 0.00 H new ATOM 0 HG22 ILE A 66 7.289 5.134 -4.442 1.00 0.00 H new ATOM 0 HG23 ILE A 66 8.632 6.284 -4.240 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.825 9.008 -7.016 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.275 8.138 -6.916 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.302 8.296 -5.471 1.00 0.00 H new ATOM 354 N PHE A 67 11.091 3.782 -4.733 1.00 0.00 N ATOM 355 CA PHE A 67 12.186 4.008 -3.747 1.00 0.00 C ATOM 356 C PHE A 67 13.380 3.107 -4.069 1.00 0.00 C ATOM 357 O PHE A 67 13.238 1.916 -4.257 1.00 0.00 O ATOM 358 CB PHE A 67 11.588 3.641 -2.383 1.00 0.00 C ATOM 359 CG PHE A 67 10.778 2.369 -2.505 1.00 0.00 C ATOM 360 CD1 PHE A 67 11.420 1.125 -2.508 1.00 0.00 C ATOM 361 CD2 PHE A 67 9.385 2.437 -2.627 1.00 0.00 C ATOM 362 CE1 PHE A 67 10.669 -0.050 -2.632 1.00 0.00 C ATOM 363 CE2 PHE A 67 8.634 1.263 -2.753 1.00 0.00 C ATOM 364 CZ PHE A 67 9.276 0.020 -2.755 1.00 0.00 C ATOM 0 H PHE A 67 10.949 2.810 -5.009 1.00 0.00 H new ATOM 0 HA PHE A 67 12.547 5.036 -3.765 1.00 0.00 H new ATOM 0 HB2 PHE A 67 12.384 3.507 -1.651 1.00 0.00 H new ATOM 0 HB3 PHE A 67 10.956 4.453 -2.022 1.00 0.00 H new ATOM 0 HD1 PHE A 67 12.495 1.072 -2.415 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.889 3.397 -2.624 1.00 0.00 H new ATOM 0 HE1 PHE A 67 11.164 -1.010 -2.633 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.560 1.316 -2.849 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.697 -0.886 -2.851 1.00 0.00 H new ATOM 374 N THR A 68 14.557 3.665 -4.131 1.00 0.00 N ATOM 375 CA THR A 68 15.754 2.833 -4.440 1.00 0.00 C ATOM 376 C THR A 68 17.007 3.456 -3.821 1.00 0.00 C ATOM 377 O THR A 68 17.054 4.640 -3.546 1.00 0.00 O ATOM 378 CB THR A 68 15.859 2.833 -5.966 1.00 0.00 C ATOM 379 OG1 THR A 68 16.267 4.119 -6.411 1.00 0.00 O ATOM 380 CG2 THR A 68 14.499 2.485 -6.576 1.00 0.00 C ATOM 0 H THR A 68 14.742 4.657 -3.982 1.00 0.00 H new ATOM 0 HA THR A 68 15.666 1.824 -4.037 1.00 0.00 H new ATOM 0 HB THR A 68 16.593 2.090 -6.279 1.00 0.00 H new ATOM 0 HG1 THR A 68 16.336 4.120 -7.389 1.00 0.00 H new ATOM 0 HG21 THR A 68 14.577 2.486 -7.663 1.00 0.00 H new ATOM 0 HG22 THR A 68 14.189 1.497 -6.235 1.00 0.00 H new ATOM 0 HG23 THR A 68 13.761 3.224 -6.265 1.00 0.00 H new ATOM 388 N ASP A 69 18.024 2.670 -3.606 1.00 0.00 N ATOM 389 CA ASP A 69 19.277 3.217 -3.013 1.00 0.00 C ATOM 390 C ASP A 69 19.018 3.736 -1.595 1.00 0.00 C ATOM 391 O ASP A 69 18.044 4.413 -1.338 1.00 0.00 O ATOM 392 CB ASP A 69 19.682 4.367 -3.936 1.00 0.00 C ATOM 393 CG ASP A 69 20.990 4.012 -4.645 1.00 0.00 C ATOM 394 OD1 ASP A 69 21.767 3.266 -4.072 1.00 0.00 O ATOM 395 OD2 ASP A 69 21.192 4.491 -5.748 1.00 0.00 O ATOM 0 H ASP A 69 18.042 1.672 -3.815 1.00 0.00 H new ATOM 0 HA ASP A 69 20.057 2.460 -2.934 1.00 0.00 H new ATOM 0 HB2 ASP A 69 18.897 4.553 -4.669 1.00 0.00 H new ATOM 0 HB3 ASP A 69 19.805 5.284 -3.360 1.00 0.00 H new ATOM 400 N GLN A 70 19.896 3.431 -0.679 1.00 0.00 N ATOM 401 CA GLN A 70 19.722 3.909 0.725 1.00 0.00 C ATOM 402 C GLN A 70 18.471 3.287 1.355 1.00 0.00 C ATOM 403 O GLN A 70 18.551 2.539 2.309 1.00 0.00 O ATOM 404 CB GLN A 70 19.564 5.430 0.630 1.00 0.00 C ATOM 405 CG GLN A 70 20.522 6.014 -0.421 1.00 0.00 C ATOM 406 CD GLN A 70 21.938 5.469 -0.214 1.00 0.00 C ATOM 407 OE1 GLN A 70 22.133 4.280 -0.066 1.00 0.00 O ATOM 408 NE2 GLN A 70 22.943 6.301 -0.205 1.00 0.00 N ATOM 0 H GLN A 70 20.731 2.868 -0.842 1.00 0.00 H new ATOM 0 HA GLN A 70 20.570 3.627 1.349 1.00 0.00 H new ATOM 0 HB2 GLN A 70 18.535 5.678 0.368 1.00 0.00 H new ATOM 0 HB3 GLN A 70 19.763 5.882 1.602 1.00 0.00 H new ATOM 0 HG2 GLN A 70 20.171 5.762 -1.422 1.00 0.00 H new ATOM 0 HG3 GLN A 70 20.530 7.102 -0.350 1.00 0.00 H new ATOM 0 HE21 GLN A 70 22.779 7.300 -0.329 1.00 0.00 H new ATOM 0 HE22 GLN A 70 23.893 5.952 -0.074 1.00 0.00 H new ATOM 417 N VAL A 71 17.318 3.602 0.838 1.00 0.00 N ATOM 418 CA VAL A 71 16.060 3.044 1.413 1.00 0.00 C ATOM 419 C VAL A 71 15.793 1.633 0.872 1.00 0.00 C ATOM 420 O VAL A 71 14.685 1.304 0.497 1.00 0.00 O ATOM 421 CB VAL A 71 14.967 4.010 0.954 1.00 0.00 C ATOM 422 CG1 VAL A 71 13.594 3.468 1.357 1.00 0.00 C ATOM 423 CG2 VAL A 71 15.181 5.377 1.609 1.00 0.00 C ATOM 0 H VAL A 71 17.190 4.224 0.039 1.00 0.00 H new ATOM 0 HA VAL A 71 16.107 2.954 2.498 1.00 0.00 H new ATOM 0 HB VAL A 71 15.014 4.112 -0.130 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.819 4.160 1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 71 13.435 2.496 0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 71 13.549 3.361 2.441 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.401 6.064 1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 71 15.139 5.272 2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.156 5.770 1.320 1.00 0.00 H new ATOM 433 N LEU A 72 16.792 0.790 0.830 1.00 0.00 N ATOM 434 CA LEU A 72 16.565 -0.593 0.313 1.00 0.00 C ATOM 435 C LEU A 72 17.704 -1.531 0.725 1.00 0.00 C ATOM 436 O LEU A 72 18.262 -2.231 -0.095 1.00 0.00 O ATOM 437 CB LEU A 72 16.524 -0.451 -1.210 1.00 0.00 C ATOM 438 CG LEU A 72 15.614 -1.532 -1.800 1.00 0.00 C ATOM 439 CD1 LEU A 72 15.810 -1.595 -3.315 1.00 0.00 C ATOM 440 CD2 LEU A 72 15.962 -2.893 -1.186 1.00 0.00 C ATOM 0 H LEU A 72 17.746 0.996 1.128 1.00 0.00 H new ATOM 0 HA LEU A 72 15.647 -1.022 0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 72 16.156 0.538 -1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 72 17.529 -0.543 -1.622 1.00 0.00 H new ATOM 0 HG LEU A 72 14.576 -1.288 -1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 72 15.162 -2.365 -3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 72 15.559 -0.630 -3.755 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.850 -1.835 -3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 72 15.312 -3.660 -1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.001 -3.137 -1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 72 15.820 -2.852 -0.106 1.00 0.00 H new ATOM 452 N SER A 73 18.053 -1.559 1.986 1.00 0.00 N ATOM 453 CA SER A 73 19.158 -2.463 2.442 1.00 0.00 C ATOM 454 C SER A 73 19.594 -2.093 3.864 1.00 0.00 C ATOM 455 O SER A 73 20.737 -1.754 4.099 1.00 0.00 O ATOM 456 CB SER A 73 20.312 -2.235 1.462 1.00 0.00 C ATOM 457 OG SER A 73 20.289 -3.249 0.465 1.00 0.00 O ATOM 0 H SER A 73 17.623 -0.997 2.720 1.00 0.00 H new ATOM 0 HA SER A 73 18.842 -3.506 2.459 1.00 0.00 H new ATOM 0 HB2 SER A 73 20.223 -1.252 0.999 1.00 0.00 H new ATOM 0 HB3 SER A 73 21.264 -2.252 1.993 1.00 0.00 H new ATOM 0 HG SER A 73 19.376 -3.352 0.125 1.00 0.00 H new ATOM 463 N VAL A 74 18.698 -2.149 4.813 1.00 0.00 N ATOM 464 CA VAL A 74 19.076 -1.792 6.213 1.00 0.00 C ATOM 465 C VAL A 74 18.999 -3.021 7.126 1.00 0.00 C ATOM 466 O VAL A 74 19.220 -2.926 8.316 1.00 0.00 O ATOM 467 CB VAL A 74 18.046 -0.742 6.650 1.00 0.00 C ATOM 468 CG1 VAL A 74 18.059 -0.599 8.180 1.00 0.00 C ATOM 469 CG2 VAL A 74 18.392 0.608 6.020 1.00 0.00 C ATOM 0 H VAL A 74 17.725 -2.425 4.681 1.00 0.00 H new ATOM 0 HA VAL A 74 20.098 -1.418 6.273 1.00 0.00 H new ATOM 0 HB VAL A 74 17.056 -1.060 6.323 1.00 0.00 H new ATOM 0 HG11 VAL A 74 17.325 0.148 8.482 1.00 0.00 H new ATOM 0 HG12 VAL A 74 17.811 -1.557 8.637 1.00 0.00 H new ATOM 0 HG13 VAL A 74 19.051 -0.287 8.508 1.00 0.00 H new ATOM 0 HG21 VAL A 74 17.660 1.353 6.331 1.00 0.00 H new ATOM 0 HG22 VAL A 74 19.385 0.917 6.345 1.00 0.00 H new ATOM 0 HG23 VAL A 74 18.378 0.517 4.934 1.00 0.00 H new ATOM 479 N LEU A 75 18.674 -4.167 6.594 1.00 0.00 N ATOM 480 CA LEU A 75 18.574 -5.373 7.464 1.00 0.00 C ATOM 481 C LEU A 75 19.909 -6.120 7.535 1.00 0.00 C ATOM 482 O LEU A 75 20.303 -6.596 8.582 1.00 0.00 O ATOM 483 CB LEU A 75 17.499 -6.248 6.817 1.00 0.00 C ATOM 484 CG LEU A 75 16.630 -6.869 7.911 1.00 0.00 C ATOM 485 CD1 LEU A 75 17.525 -7.542 8.953 1.00 0.00 C ATOM 486 CD2 LEU A 75 15.803 -5.775 8.591 1.00 0.00 C ATOM 0 H LEU A 75 18.475 -4.320 5.605 1.00 0.00 H new ATOM 0 HA LEU A 75 18.322 -5.105 8.490 1.00 0.00 H new ATOM 0 HB2 LEU A 75 16.885 -5.651 6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 75 17.963 -7.031 6.217 1.00 0.00 H new ATOM 0 HG LEU A 75 15.964 -7.608 7.466 1.00 0.00 H new ATOM 0 HD11 LEU A 75 16.906 -7.985 9.733 1.00 0.00 H new ATOM 0 HD12 LEU A 75 18.118 -8.321 8.474 1.00 0.00 H new ATOM 0 HD13 LEU A 75 18.190 -6.800 9.395 1.00 0.00 H new ATOM 0 HD21 LEU A 75 15.184 -6.219 9.371 1.00 0.00 H new ATOM 0 HD22 LEU A 75 16.471 -5.037 9.034 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.164 -5.290 7.853 1.00 0.00 H new ATOM 498 N LYS A 76 20.609 -6.241 6.441 1.00 0.00 N ATOM 499 CA LYS A 76 21.908 -6.973 6.481 1.00 0.00 C ATOM 500 C LYS A 76 22.916 -6.357 5.507 1.00 0.00 C ATOM 501 O LYS A 76 23.379 -7.009 4.594 1.00 0.00 O ATOM 502 CB LYS A 76 21.566 -8.402 6.060 1.00 0.00 C ATOM 503 CG LYS A 76 22.835 -9.253 6.070 1.00 0.00 C ATOM 504 CD LYS A 76 22.476 -10.699 6.413 1.00 0.00 C ATOM 505 CE LYS A 76 23.298 -11.155 7.621 1.00 0.00 C ATOM 506 NZ LYS A 76 22.351 -11.949 8.452 1.00 0.00 N ATOM 0 H LYS A 76 20.342 -5.869 5.529 1.00 0.00 H new ATOM 0 HA LYS A 76 22.367 -6.929 7.469 1.00 0.00 H new ATOM 0 HB2 LYS A 76 20.826 -8.825 6.739 1.00 0.00 H new ATOM 0 HB3 LYS A 76 21.122 -8.403 5.064 1.00 0.00 H new ATOM 0 HG2 LYS A 76 23.323 -9.209 5.096 1.00 0.00 H new ATOM 0 HG3 LYS A 76 23.543 -8.860 6.799 1.00 0.00 H new ATOM 0 HD2 LYS A 76 21.411 -10.778 6.633 1.00 0.00 H new ATOM 0 HD3 LYS A 76 22.674 -11.347 5.559 1.00 0.00 H new ATOM 0 HE2 LYS A 76 24.153 -11.757 7.313 1.00 0.00 H new ATOM 0 HE3 LYS A 76 23.691 -10.303 8.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 22.841 -12.297 9.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 21.551 -11.348 8.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 21.998 -12.757 7.900 1.00 0.00 H new ATOM 520 N GLY A 77 23.268 -5.113 5.700 1.00 0.00 N ATOM 521 CA GLY A 77 24.254 -4.466 4.787 1.00 0.00 C ATOM 522 C GLY A 77 23.679 -4.390 3.370 1.00 0.00 C ATOM 523 O GLY A 77 23.324 -3.333 2.887 1.00 0.00 O ATOM 0 H GLY A 77 22.915 -4.518 6.450 1.00 0.00 H new ATOM 0 HA2 GLY A 77 24.493 -3.465 5.146 1.00 0.00 H new ATOM 0 HA3 GLY A 77 25.185 -5.033 4.781 1.00 0.00 H new ATOM 527 N GLU A 78 23.590 -5.505 2.702 1.00 0.00 N ATOM 528 CA GLU A 78 23.043 -5.515 1.316 1.00 0.00 C ATOM 529 C GLU A 78 22.721 -6.954 0.907 1.00 0.00 C ATOM 530 O GLU A 78 22.904 -7.348 -0.228 1.00 0.00 O ATOM 531 CB GLU A 78 24.162 -4.933 0.445 1.00 0.00 C ATOM 532 CG GLU A 78 23.712 -4.866 -1.020 1.00 0.00 C ATOM 533 CD GLU A 78 22.287 -4.311 -1.103 1.00 0.00 C ATOM 534 OE1 GLU A 78 22.133 -3.107 -0.985 1.00 0.00 O ATOM 535 OE2 GLU A 78 21.376 -5.101 -1.283 1.00 0.00 O ATOM 0 H GLU A 78 23.875 -6.417 3.059 1.00 0.00 H new ATOM 0 HA GLU A 78 22.122 -4.940 1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 78 24.426 -3.936 0.798 1.00 0.00 H new ATOM 0 HB3 GLU A 78 25.057 -5.549 0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 78 24.392 -4.233 -1.590 1.00 0.00 H new ATOM 0 HG3 GLU A 78 23.751 -5.859 -1.467 1.00 0.00 H new ATOM 542 N GLU A 79 22.246 -7.741 1.835 1.00 0.00 N ATOM 543 CA GLU A 79 21.910 -9.161 1.526 1.00 0.00 C ATOM 544 C GLU A 79 21.234 -9.266 0.156 1.00 0.00 C ATOM 545 O GLU A 79 20.227 -8.605 -0.038 1.00 0.00 O ATOM 546 CB GLU A 79 20.948 -9.582 2.639 1.00 0.00 C ATOM 547 CG GLU A 79 20.270 -10.902 2.263 1.00 0.00 C ATOM 548 CD GLU A 79 21.323 -11.899 1.775 1.00 0.00 C ATOM 549 OE1 GLU A 79 22.227 -12.198 2.538 1.00 0.00 O ATOM 550 OE2 GLU A 79 21.207 -12.346 0.645 1.00 0.00 O ATOM 551 OXT GLU A 79 21.737 -10.002 -0.677 1.00 0.00 O ATOM 0 H GLU A 79 22.075 -7.459 2.800 1.00 0.00 H new ATOM 0 HA GLU A 79 22.794 -9.797 1.484 1.00 0.00 H new ATOM 0 HB2 GLU A 79 21.490 -9.695 3.578 1.00 0.00 H new ATOM 0 HB3 GLU A 79 20.197 -8.808 2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 79 19.741 -11.309 3.125 1.00 0.00 H new ATOM 0 HG3 GLU A 79 19.527 -10.732 1.484 1.00 0.00 H new TER 558 GLU A 79