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 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 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 151:sc= -1.21 (180deg=-2.29!) USER MOD Single : A 61 SER OG : rot 180:sc= 0.125 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 180:sc= 0.101 USER MOD Single : A 68 THR OG1 : rot 83:sc= 0.161 USER MOD Single : A 70 GLN : amide:sc= -1.19 K(o=-1.2,f=-4.2!) USER MOD Single : A 73 SER OG : rot 60:sc= 0.957 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 44 -27.821 -4.786 6.688 1.00 0.00 N ATOM 2 CA ALA A 44 -26.500 -4.967 6.022 1.00 0.00 C ATOM 3 C ALA A 44 -26.173 -3.742 5.165 1.00 0.00 C ATOM 4 O ALA A 44 -26.881 -3.421 4.230 1.00 0.00 O ATOM 5 CB ALA A 44 -26.662 -6.205 5.139 1.00 0.00 C ATOM 0 HA ALA A 44 -25.689 -5.084 6.741 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -25.727 -6.403 4.614 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -26.918 -7.064 5.760 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -27.456 -6.032 4.413 1.00 0.00 H new ATOM 13 N VAL A 45 -25.109 -3.054 5.476 1.00 0.00 N ATOM 14 CA VAL A 45 -24.743 -1.848 4.680 1.00 0.00 C ATOM 15 C VAL A 45 -23.371 -2.036 4.032 1.00 0.00 C ATOM 16 O VAL A 45 -22.383 -1.485 4.474 1.00 0.00 O ATOM 17 CB VAL A 45 -24.715 -0.701 5.688 1.00 0.00 C ATOM 18 CG1 VAL A 45 -24.251 0.582 4.993 1.00 0.00 C ATOM 19 CG2 VAL A 45 -26.119 -0.500 6.261 1.00 0.00 C ATOM 0 H VAL A 45 -24.478 -3.274 6.246 1.00 0.00 H new ATOM 0 HA VAL A 45 -25.448 -1.658 3.870 1.00 0.00 H new ATOM 0 HB VAL A 45 -24.023 -0.940 6.496 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -24.232 1.400 5.714 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -23.251 0.434 4.585 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -24.940 0.827 4.185 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -26.104 0.318 6.981 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -26.811 -0.260 5.453 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -26.444 -1.415 6.757 1.00 0.00 H new ATOM 29 N ASP A 46 -23.308 -2.809 2.982 1.00 0.00 N ATOM 30 CA ASP A 46 -22.005 -3.035 2.296 1.00 0.00 C ATOM 31 C ASP A 46 -22.109 -2.600 0.833 1.00 0.00 C ATOM 32 O ASP A 46 -21.232 -2.862 0.033 1.00 0.00 O ATOM 33 CB ASP A 46 -21.755 -4.541 2.395 1.00 0.00 C ATOM 34 CG ASP A 46 -20.398 -4.788 3.055 1.00 0.00 C ATOM 35 OD1 ASP A 46 -20.010 -3.984 3.886 1.00 0.00 O ATOM 36 OD2 ASP A 46 -19.769 -5.778 2.718 1.00 0.00 O ATOM 0 H ASP A 46 -24.105 -3.294 2.569 1.00 0.00 H new ATOM 0 HA ASP A 46 -21.193 -2.463 2.745 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -22.546 -5.015 2.976 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -21.776 -4.990 1.402 1.00 0.00 H new ATOM 41 N GLU A 47 -23.177 -1.935 0.479 1.00 0.00 N ATOM 42 CA GLU A 47 -23.340 -1.479 -0.933 1.00 0.00 C ATOM 43 C GLU A 47 -22.016 -0.908 -1.443 1.00 0.00 C ATOM 44 O GLU A 47 -21.333 -1.518 -2.241 1.00 0.00 O ATOM 45 CB GLU A 47 -24.412 -0.387 -0.880 1.00 0.00 C ATOM 46 CG GLU A 47 -24.459 0.348 -2.222 1.00 0.00 C ATOM 47 CD GLU A 47 -24.794 -0.644 -3.338 1.00 0.00 C ATOM 48 OE1 GLU A 47 -23.879 -1.288 -3.825 1.00 0.00 O ATOM 49 OE2 GLU A 47 -25.958 -0.743 -3.687 1.00 0.00 O ATOM 0 H GLU A 47 -23.943 -1.688 1.106 1.00 0.00 H new ATOM 0 HA GLU A 47 -23.625 -2.289 -1.604 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -25.384 -0.828 -0.660 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -24.191 0.315 -0.076 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -25.207 1.140 -2.189 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -23.499 0.825 -2.421 1.00 0.00 H new ATOM 56 N LYS A 48 -21.644 0.253 -0.980 1.00 0.00 N ATOM 57 CA LYS A 48 -20.359 0.853 -1.429 1.00 0.00 C ATOM 58 C LYS A 48 -19.741 1.678 -0.301 1.00 0.00 C ATOM 59 O LYS A 48 -18.687 1.350 0.208 1.00 0.00 O ATOM 60 CB LYS A 48 -20.718 1.746 -2.617 1.00 0.00 C ATOM 61 CG LYS A 48 -20.002 1.236 -3.869 1.00 0.00 C ATOM 62 CD LYS A 48 -19.756 2.400 -4.832 1.00 0.00 C ATOM 63 CE LYS A 48 -20.476 2.129 -6.154 1.00 0.00 C ATOM 64 NZ LYS A 48 -19.491 2.495 -7.210 1.00 0.00 N ATOM 0 H LYS A 48 -22.174 0.811 -0.311 1.00 0.00 H new ATOM 0 HA LYS A 48 -19.628 0.094 -1.706 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -21.796 1.744 -2.775 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -20.428 2.777 -2.413 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -19.055 0.772 -3.594 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -20.603 0.469 -4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -20.116 3.331 -4.394 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -18.687 2.522 -5.006 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -20.772 1.083 -6.235 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -21.385 2.725 -6.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -19.912 2.336 -8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -19.233 3.498 -7.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -18.639 1.907 -7.109 1.00 0.00 H new ATOM 78 N LEU A 49 -20.381 2.749 0.094 1.00 0.00 N ATOM 79 CA LEU A 49 -19.811 3.591 1.186 1.00 0.00 C ATOM 80 C LEU A 49 -18.318 3.781 0.939 1.00 0.00 C ATOM 81 O LEU A 49 -17.504 3.599 1.820 1.00 0.00 O ATOM 82 CB LEU A 49 -20.039 2.793 2.471 1.00 0.00 C ATOM 83 CG LEU A 49 -21.537 2.695 2.757 1.00 0.00 C ATOM 84 CD1 LEU A 49 -22.160 1.640 1.843 1.00 0.00 C ATOM 85 CD2 LEU A 49 -21.748 2.291 4.219 1.00 0.00 C ATOM 0 H LEU A 49 -21.268 3.075 -0.290 1.00 0.00 H new ATOM 0 HA LEU A 49 -20.271 4.578 1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -19.612 1.795 2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -19.530 3.276 3.305 1.00 0.00 H new ATOM 0 HG LEU A 49 -22.009 3.660 2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -23.229 1.568 2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -22.006 1.924 0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -21.690 0.674 2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -22.816 2.220 4.426 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -21.278 1.324 4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -21.301 3.040 4.872 1.00 0.00 H new ATOM 97 N ARG A 50 -17.952 4.116 -0.268 1.00 0.00 N ATOM 98 CA ARG A 50 -16.510 4.284 -0.583 1.00 0.00 C ATOM 99 C ARG A 50 -15.773 2.984 -0.237 1.00 0.00 C ATOM 100 O ARG A 50 -14.816 2.975 0.509 1.00 0.00 O ATOM 101 CB ARG A 50 -16.039 5.448 0.295 1.00 0.00 C ATOM 102 CG ARG A 50 -14.512 5.558 0.244 1.00 0.00 C ATOM 103 CD ARG A 50 -14.114 6.886 -0.398 1.00 0.00 C ATOM 104 NE ARG A 50 -14.946 7.913 0.288 1.00 0.00 N ATOM 105 CZ ARG A 50 -14.992 9.137 -0.170 1.00 0.00 C ATOM 106 NH1 ARG A 50 -14.316 9.467 -1.238 1.00 0.00 N ATOM 107 NH2 ARG A 50 -15.716 10.033 0.442 1.00 0.00 N ATOM 0 H ARG A 50 -18.590 4.280 -1.047 1.00 0.00 H new ATOM 0 HA ARG A 50 -16.320 4.493 -1.636 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -16.491 6.379 -0.048 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -16.367 5.295 1.323 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.099 5.491 1.250 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.097 4.728 -0.327 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.051 7.086 -0.264 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.304 6.878 -1.471 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.482 7.661 1.118 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.749 8.769 -1.719 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.355 10.423 -1.591 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.245 9.778 1.276 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -15.753 10.988 0.086 1.00 0.00 H new ATOM 121 N ASP A 51 -16.225 1.880 -0.775 1.00 0.00 N ATOM 122 CA ASP A 51 -15.555 0.581 -0.478 1.00 0.00 C ATOM 123 C ASP A 51 -14.046 0.767 -0.593 1.00 0.00 C ATOM 124 O ASP A 51 -13.269 0.097 0.057 1.00 0.00 O ATOM 125 CB ASP A 51 -16.066 -0.391 -1.544 1.00 0.00 C ATOM 126 CG ASP A 51 -15.966 0.266 -2.920 1.00 0.00 C ATOM 127 OD1 ASP A 51 -14.918 0.153 -3.534 1.00 0.00 O ATOM 128 OD2 ASP A 51 -16.938 0.876 -3.335 1.00 0.00 O ATOM 0 H ASP A 51 -17.026 1.823 -1.404 1.00 0.00 H new ATOM 0 HA ASP A 51 -15.768 0.211 0.525 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -15.480 -1.310 -1.524 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -17.100 -0.667 -1.335 1.00 0.00 H new ATOM 133 N LEU A 52 -13.635 1.700 -1.410 1.00 0.00 N ATOM 134 CA LEU A 52 -12.181 1.975 -1.576 1.00 0.00 C ATOM 135 C LEU A 52 -11.518 2.188 -0.207 1.00 0.00 C ATOM 136 O LEU A 52 -10.314 2.103 -0.071 1.00 0.00 O ATOM 137 CB LEU A 52 -12.131 3.256 -2.412 1.00 0.00 C ATOM 138 CG LEU A 52 -10.680 3.700 -2.593 1.00 0.00 C ATOM 139 CD1 LEU A 52 -10.378 3.860 -4.087 1.00 0.00 C ATOM 140 CD2 LEU A 52 -10.465 5.039 -1.884 1.00 0.00 C ATOM 0 H LEU A 52 -14.250 2.287 -1.973 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.648 1.152 -2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -12.592 3.085 -3.385 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.703 4.044 -1.922 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.014 2.950 -2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.343 4.177 -4.217 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.532 2.907 -4.593 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.043 4.610 -4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.430 5.357 -2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.131 5.788 -2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.681 4.927 -0.821 1.00 0.00 H new ATOM 152 N TYR A 53 -12.295 2.469 0.809 1.00 0.00 N ATOM 153 CA TYR A 53 -11.709 2.688 2.163 1.00 0.00 C ATOM 154 C TYR A 53 -10.702 1.582 2.499 1.00 0.00 C ATOM 155 O TYR A 53 -9.831 1.757 3.327 1.00 0.00 O ATOM 156 CB TYR A 53 -12.905 2.642 3.126 1.00 0.00 C ATOM 157 CG TYR A 53 -13.349 1.209 3.335 1.00 0.00 C ATOM 158 CD1 TYR A 53 -12.780 0.442 4.361 1.00 0.00 C ATOM 159 CD2 TYR A 53 -14.324 0.646 2.501 1.00 0.00 C ATOM 160 CE1 TYR A 53 -13.185 -0.886 4.551 1.00 0.00 C ATOM 161 CE2 TYR A 53 -14.729 -0.681 2.692 1.00 0.00 C ATOM 162 CZ TYR A 53 -14.160 -1.447 3.717 1.00 0.00 C ATOM 163 OH TYR A 53 -14.558 -2.756 3.903 1.00 0.00 O ATOM 0 H TYR A 53 -13.310 2.556 0.757 1.00 0.00 H new ATOM 0 HA TYR A 53 -11.168 3.632 2.228 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -12.630 3.089 4.081 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -13.729 3.231 2.724 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -12.029 0.875 5.005 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -14.764 1.236 1.710 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -12.745 -1.477 5.341 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -15.481 -1.114 2.048 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.242 -2.987 3.240 1.00 0.00 H new ATOM 173 N SER A 54 -10.825 0.440 1.878 1.00 0.00 N ATOM 174 CA SER A 54 -9.882 -0.677 2.178 1.00 0.00 C ATOM 175 C SER A 54 -8.555 -0.480 1.442 1.00 0.00 C ATOM 176 O SER A 54 -8.046 -1.383 0.810 1.00 0.00 O ATOM 177 CB SER A 54 -10.591 -1.936 1.681 1.00 0.00 C ATOM 178 OG SER A 54 -10.649 -2.887 2.736 1.00 0.00 O ATOM 0 H SER A 54 -11.536 0.232 1.177 1.00 0.00 H new ATOM 0 HA SER A 54 -9.641 -0.733 3.240 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.597 -1.691 1.341 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.059 -2.355 0.827 1.00 0.00 H new ATOM 0 HG SER A 54 -11.105 -3.696 2.422 1.00 0.00 H new ATOM 184 N LYS A 55 -7.985 0.692 1.526 1.00 0.00 N ATOM 185 CA LYS A 55 -6.685 0.942 0.839 1.00 0.00 C ATOM 186 C LYS A 55 -5.557 1.048 1.870 1.00 0.00 C ATOM 187 O LYS A 55 -4.402 1.207 1.527 1.00 0.00 O ATOM 188 CB LYS A 55 -6.865 2.275 0.113 1.00 0.00 C ATOM 189 CG LYS A 55 -7.482 2.037 -1.265 1.00 0.00 C ATOM 190 CD LYS A 55 -7.737 3.384 -1.942 1.00 0.00 C ATOM 191 CE LYS A 55 -6.400 4.053 -2.266 1.00 0.00 C ATOM 192 NZ LYS A 55 -6.707 5.007 -3.367 1.00 0.00 N ATOM 0 H LYS A 55 -8.363 1.487 2.041 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.422 0.137 0.153 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.505 2.935 0.699 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.902 2.775 0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.814 1.430 -1.876 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.416 1.483 -1.168 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.315 3.241 -2.855 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.328 4.026 -1.288 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.996 4.570 -1.396 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.655 3.319 -2.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.838 5.506 -3.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.084 4.485 -4.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.414 5.697 -3.041 1.00 0.00 H new ATOM 206 N SER A 56 -5.885 0.973 3.132 1.00 0.00 N ATOM 207 CA SER A 56 -4.833 1.080 4.185 1.00 0.00 C ATOM 208 C SER A 56 -4.645 -0.261 4.900 1.00 0.00 C ATOM 209 O SER A 56 -3.586 -0.855 4.855 1.00 0.00 O ATOM 210 CB SER A 56 -5.361 2.133 5.156 1.00 0.00 C ATOM 211 OG SER A 56 -6.255 2.998 4.468 1.00 0.00 O ATOM 0 H SER A 56 -6.835 0.842 3.479 1.00 0.00 H new ATOM 0 HA SER A 56 -3.862 1.350 3.769 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.872 1.652 5.990 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.534 2.705 5.576 1.00 0.00 H new ATOM 0 HG SER A 56 -6.598 3.675 5.088 1.00 0.00 H new ATOM 217 N THR A 57 -5.661 -0.739 5.567 1.00 0.00 N ATOM 218 CA THR A 57 -5.537 -2.040 6.292 1.00 0.00 C ATOM 219 C THR A 57 -4.820 -3.076 5.424 1.00 0.00 C ATOM 220 O THR A 57 -4.231 -4.015 5.923 1.00 0.00 O ATOM 221 CB THR A 57 -6.975 -2.484 6.571 1.00 0.00 C ATOM 222 OG1 THR A 57 -6.967 -3.545 7.517 1.00 0.00 O ATOM 223 CG2 THR A 57 -7.624 -2.964 5.272 1.00 0.00 C ATOM 0 H THR A 57 -6.572 -0.286 5.642 1.00 0.00 H new ATOM 0 HA THR A 57 -4.954 -1.938 7.208 1.00 0.00 H new ATOM 0 HB THR A 57 -7.543 -1.644 6.970 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.887 -3.829 7.698 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.648 -3.280 5.472 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.630 -2.151 4.546 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.057 -3.804 4.871 1.00 0.00 H new ATOM 231 N ALA A 58 -4.866 -2.920 4.128 1.00 0.00 N ATOM 232 CA ALA A 58 -4.187 -3.902 3.233 1.00 0.00 C ATOM 233 C ALA A 58 -2.666 -3.705 3.262 1.00 0.00 C ATOM 234 O ALA A 58 -1.937 -4.357 2.540 1.00 0.00 O ATOM 235 CB ALA A 58 -4.743 -3.606 1.837 1.00 0.00 C ATOM 0 H ALA A 58 -5.344 -2.156 3.650 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.369 -4.932 3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.294 -4.287 1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.824 -3.742 1.840 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.507 -2.578 1.562 1.00 0.00 H new ATOM 241 N ALA A 59 -2.175 -2.815 4.083 1.00 0.00 N ATOM 242 CA ALA A 59 -0.704 -2.594 4.138 1.00 0.00 C ATOM 243 C ALA A 59 -0.218 -2.080 2.785 1.00 0.00 C ATOM 244 O ALA A 59 0.792 -2.512 2.266 1.00 0.00 O ATOM 245 CB ALA A 59 -0.109 -3.968 4.447 1.00 0.00 C ATOM 0 H ALA A 59 -2.727 -2.235 4.714 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.413 -1.857 4.886 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.977 -3.890 4.504 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.498 -4.327 5.400 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.381 -4.668 3.657 1.00 0.00 H new ATOM 251 N MET A 60 -0.943 -1.164 2.211 1.00 0.00 N ATOM 252 CA MET A 60 -0.552 -0.610 0.885 1.00 0.00 C ATOM 253 C MET A 60 0.966 -0.400 0.803 1.00 0.00 C ATOM 254 O MET A 60 1.665 -1.132 0.131 1.00 0.00 O ATOM 255 CB MET A 60 -1.283 0.728 0.797 1.00 0.00 C ATOM 256 CG MET A 60 -0.817 1.482 -0.447 1.00 0.00 C ATOM 257 SD MET A 60 -1.497 0.683 -1.922 1.00 0.00 S ATOM 258 CE MET A 60 -1.822 2.189 -2.871 1.00 0.00 C ATOM 0 H MET A 60 -1.797 -0.771 2.606 1.00 0.00 H new ATOM 0 HA MET A 60 -0.812 -1.282 0.067 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.360 0.564 0.754 1.00 0.00 H new ATOM 0 HB3 MET A 60 -1.086 1.321 1.690 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.143 2.521 -0.400 1.00 0.00 H new ATOM 0 HG3 MET A 60 0.272 1.491 -0.494 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.750 1.970 -3.936 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.823 2.554 -2.642 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.089 2.951 -2.607 1.00 0.00 H new ATOM 268 N SER A 61 1.474 0.604 1.470 1.00 0.00 N ATOM 269 CA SER A 61 2.944 0.880 1.425 1.00 0.00 C ATOM 270 C SER A 61 3.757 -0.419 1.436 1.00 0.00 C ATOM 271 O SER A 61 4.453 -0.728 0.489 1.00 0.00 O ATOM 272 CB SER A 61 3.228 1.698 2.683 1.00 0.00 C ATOM 273 OG SER A 61 2.158 2.608 2.902 1.00 0.00 O ATOM 0 H SER A 61 0.933 1.248 2.047 1.00 0.00 H new ATOM 0 HA SER A 61 3.226 1.406 0.513 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.341 1.037 3.543 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.166 2.242 2.573 1.00 0.00 H new ATOM 0 HG SER A 61 2.336 3.134 3.710 1.00 0.00 H new ATOM 279 N THR A 62 3.683 -1.178 2.498 1.00 0.00 N ATOM 280 CA THR A 62 4.461 -2.453 2.562 1.00 0.00 C ATOM 281 C THR A 62 4.387 -3.190 1.222 1.00 0.00 C ATOM 282 O THR A 62 5.284 -3.921 0.853 1.00 0.00 O ATOM 283 CB THR A 62 3.788 -3.273 3.666 1.00 0.00 C ATOM 284 OG1 THR A 62 4.172 -2.758 4.932 1.00 0.00 O ATOM 285 CG2 THR A 62 4.219 -4.738 3.557 1.00 0.00 C ATOM 0 H THR A 62 3.119 -0.972 3.323 1.00 0.00 H new ATOM 0 HA THR A 62 5.517 -2.281 2.768 1.00 0.00 H new ATOM 0 HB THR A 62 2.705 -3.209 3.557 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.742 -3.279 5.641 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.738 -5.318 4.344 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.925 -5.132 2.584 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.301 -4.808 3.665 1.00 0.00 H new ATOM 293 N TYR A 63 3.325 -3.002 0.493 1.00 0.00 N ATOM 294 CA TYR A 63 3.197 -3.691 -0.822 1.00 0.00 C ATOM 295 C TYR A 63 2.165 -2.971 -1.695 1.00 0.00 C ATOM 296 O TYR A 63 1.042 -3.409 -1.840 1.00 0.00 O ATOM 297 CB TYR A 63 2.730 -5.109 -0.483 1.00 0.00 C ATOM 298 CG TYR A 63 3.248 -6.076 -1.525 1.00 0.00 C ATOM 299 CD1 TYR A 63 2.960 -5.866 -2.881 1.00 0.00 C ATOM 300 CD2 TYR A 63 4.013 -7.182 -1.138 1.00 0.00 C ATOM 301 CE1 TYR A 63 3.439 -6.762 -3.846 1.00 0.00 C ATOM 302 CE2 TYR A 63 4.492 -8.077 -2.103 1.00 0.00 C ATOM 303 CZ TYR A 63 4.205 -7.867 -3.457 1.00 0.00 C ATOM 304 OH TYR A 63 4.676 -8.748 -4.408 1.00 0.00 O ATOM 0 H TYR A 63 2.540 -2.402 0.749 1.00 0.00 H new ATOM 0 HA TYR A 63 4.133 -3.698 -1.381 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.091 -5.395 0.505 1.00 0.00 H new ATOM 0 HB3 TYR A 63 1.641 -5.146 -0.448 1.00 0.00 H new ATOM 0 HD1 TYR A 63 2.369 -5.014 -3.182 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.234 -7.346 -0.094 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.217 -6.600 -4.890 1.00 0.00 H new ATOM 0 HE2 TYR A 63 5.083 -8.929 -1.802 1.00 0.00 H new ATOM 0 HH TYR A 63 5.190 -9.458 -3.970 1.00 0.00 H new ATOM 314 N THR A 64 2.540 -1.864 -2.277 1.00 0.00 N ATOM 315 CA THR A 64 1.583 -1.117 -3.140 1.00 0.00 C ATOM 316 C THR A 64 1.458 -1.805 -4.499 1.00 0.00 C ATOM 317 O THR A 64 0.441 -2.390 -4.818 1.00 0.00 O ATOM 318 CB THR A 64 2.191 0.276 -3.301 1.00 0.00 C ATOM 319 OG1 THR A 64 3.091 0.522 -2.229 1.00 0.00 O ATOM 320 CG2 THR A 64 1.079 1.324 -3.287 1.00 0.00 C ATOM 0 H THR A 64 3.466 -1.446 -2.192 1.00 0.00 H new ATOM 0 HA THR A 64 0.584 -1.075 -2.707 1.00 0.00 H new ATOM 0 HB THR A 64 2.728 0.333 -4.248 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.484 1.414 -2.330 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.513 2.317 -3.402 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.388 1.133 -4.108 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.541 1.271 -2.341 1.00 0.00 H new ATOM 328 N GLY A 65 2.485 -1.745 -5.300 1.00 0.00 N ATOM 329 CA GLY A 65 2.426 -2.400 -6.636 1.00 0.00 C ATOM 330 C GLY A 65 3.739 -3.144 -6.904 1.00 0.00 C ATOM 331 O GLY A 65 3.768 -4.354 -7.008 1.00 0.00 O ATOM 0 H GLY A 65 3.363 -1.271 -5.087 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.588 -3.096 -6.674 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.255 -1.653 -7.411 1.00 0.00 H new ATOM 335 N ILE A 66 4.824 -2.426 -7.022 1.00 0.00 N ATOM 336 CA ILE A 66 6.137 -3.086 -7.293 1.00 0.00 C ATOM 337 C ILE A 66 7.250 -2.035 -7.309 1.00 0.00 C ATOM 338 O ILE A 66 8.149 -2.079 -8.125 1.00 0.00 O ATOM 339 CB ILE A 66 5.977 -3.705 -8.681 1.00 0.00 C ATOM 340 CG1 ILE A 66 7.199 -4.589 -8.993 1.00 0.00 C ATOM 341 CG2 ILE A 66 5.850 -2.578 -9.713 1.00 0.00 C ATOM 342 CD1 ILE A 66 7.329 -4.810 -10.504 1.00 0.00 C ATOM 0 H ILE A 66 4.859 -1.410 -6.943 1.00 0.00 H new ATOM 0 HA ILE A 66 6.400 -3.827 -6.538 1.00 0.00 H new ATOM 0 HB ILE A 66 5.082 -4.326 -8.717 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.104 -4.118 -8.609 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.100 -5.549 -8.486 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.735 -3.007 -10.708 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.978 -1.967 -9.479 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.746 -1.958 -9.687 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.198 -5.437 -10.707 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.431 -5.302 -10.878 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.451 -3.849 -11.003 1.00 0.00 H new ATOM 354 N PHE A 67 7.193 -1.076 -6.432 1.00 0.00 N ATOM 355 CA PHE A 67 8.245 -0.022 -6.435 1.00 0.00 C ATOM 356 C PHE A 67 9.640 -0.645 -6.572 1.00 0.00 C ATOM 357 O PHE A 67 10.392 -0.274 -7.449 1.00 0.00 O ATOM 358 CB PHE A 67 8.094 0.741 -5.109 1.00 0.00 C ATOM 359 CG PHE A 67 8.184 -0.199 -3.928 1.00 0.00 C ATOM 360 CD1 PHE A 67 7.046 -0.886 -3.482 1.00 0.00 C ATOM 361 CD2 PHE A 67 9.409 -0.376 -3.270 1.00 0.00 C ATOM 362 CE1 PHE A 67 7.137 -1.751 -2.383 1.00 0.00 C ATOM 363 CE2 PHE A 67 9.498 -1.241 -2.173 1.00 0.00 C ATOM 364 CZ PHE A 67 8.361 -1.929 -1.729 1.00 0.00 C ATOM 0 H PHE A 67 6.471 -0.975 -5.718 1.00 0.00 H new ATOM 0 HA PHE A 67 8.130 0.653 -7.283 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.871 1.502 -5.033 1.00 0.00 H new ATOM 0 HB3 PHE A 67 7.136 1.261 -5.092 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.100 -0.749 -3.985 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.285 0.156 -3.610 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.261 -2.281 -2.040 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.443 -1.378 -1.669 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.429 -2.596 -0.883 1.00 0.00 H new ATOM 374 N THR A 68 9.979 -1.595 -5.729 1.00 0.00 N ATOM 375 CA THR A 68 11.326 -2.255 -5.814 1.00 0.00 C ATOM 376 C THR A 68 12.406 -1.251 -6.227 1.00 0.00 C ATOM 377 O THR A 68 13.373 -1.600 -6.876 1.00 0.00 O ATOM 378 CB THR A 68 11.170 -3.331 -6.888 1.00 0.00 C ATOM 379 OG1 THR A 68 9.789 -3.582 -7.111 1.00 0.00 O ATOM 380 CG2 THR A 68 11.856 -4.617 -6.426 1.00 0.00 C ATOM 0 H THR A 68 9.378 -1.944 -4.982 1.00 0.00 H new ATOM 0 HA THR A 68 11.634 -2.665 -4.852 1.00 0.00 H new ATOM 0 HB THR A 68 11.630 -2.988 -7.815 1.00 0.00 H new ATOM 0 HG1 THR A 68 9.432 -2.916 -7.736 1.00 0.00 H new ATOM 0 HG21 THR A 68 11.745 -5.384 -7.192 1.00 0.00 H new ATOM 0 HG22 THR A 68 12.915 -4.424 -6.257 1.00 0.00 H new ATOM 0 HG23 THR A 68 11.398 -4.961 -5.499 1.00 0.00 H new ATOM 388 N ASP A 69 12.243 -0.006 -5.874 1.00 0.00 N ATOM 389 CA ASP A 69 13.258 1.008 -6.271 1.00 0.00 C ATOM 390 C ASP A 69 13.224 2.212 -5.328 1.00 0.00 C ATOM 391 O ASP A 69 12.371 2.323 -4.470 1.00 0.00 O ATOM 392 CB ASP A 69 12.847 1.430 -7.684 1.00 0.00 C ATOM 393 CG ASP A 69 14.038 2.080 -8.391 1.00 0.00 C ATOM 394 OD1 ASP A 69 14.938 1.354 -8.778 1.00 0.00 O ATOM 395 OD2 ASP A 69 14.028 3.292 -8.533 1.00 0.00 O ATOM 0 H ASP A 69 11.456 0.351 -5.332 1.00 0.00 H new ATOM 0 HA ASP A 69 14.272 0.610 -6.229 1.00 0.00 H new ATOM 0 HB2 ASP A 69 12.505 0.563 -8.249 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.012 2.130 -7.637 1.00 0.00 H new ATOM 400 N GLN A 70 14.148 3.119 -5.494 1.00 0.00 N ATOM 401 CA GLN A 70 14.183 4.332 -4.626 1.00 0.00 C ATOM 402 C GLN A 70 14.283 3.948 -3.145 1.00 0.00 C ATOM 403 O GLN A 70 15.338 4.017 -2.548 1.00 0.00 O ATOM 404 CB GLN A 70 12.866 5.057 -4.909 1.00 0.00 C ATOM 405 CG GLN A 70 12.715 6.239 -3.950 1.00 0.00 C ATOM 406 CD GLN A 70 13.838 7.246 -4.201 1.00 0.00 C ATOM 407 OE1 GLN A 70 14.613 7.095 -5.124 1.00 0.00 O ATOM 408 NE2 GLN A 70 13.959 8.277 -3.411 1.00 0.00 N ATOM 0 H GLN A 70 14.885 3.072 -6.198 1.00 0.00 H new ATOM 0 HA GLN A 70 15.051 4.957 -4.837 1.00 0.00 H new ATOM 0 HB2 GLN A 70 12.847 5.408 -5.941 1.00 0.00 H new ATOM 0 HB3 GLN A 70 12.028 4.370 -4.790 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.746 6.716 -4.094 1.00 0.00 H new ATOM 0 HG3 GLN A 70 12.749 5.890 -2.918 1.00 0.00 H new ATOM 0 HE21 GLN A 70 13.309 8.405 -2.636 1.00 0.00 H new ATOM 0 HE22 GLN A 70 14.704 8.956 -3.569 1.00 0.00 H new ATOM 417 N VAL A 71 13.189 3.563 -2.541 1.00 0.00 N ATOM 418 CA VAL A 71 13.224 3.200 -1.092 1.00 0.00 C ATOM 419 C VAL A 71 13.786 1.793 -0.883 1.00 0.00 C ATOM 420 O VAL A 71 13.206 0.986 -0.185 1.00 0.00 O ATOM 421 CB VAL A 71 11.768 3.266 -0.637 1.00 0.00 C ATOM 422 CG1 VAL A 71 11.672 2.822 0.822 1.00 0.00 C ATOM 423 CG2 VAL A 71 11.261 4.703 -0.767 1.00 0.00 C ATOM 0 H VAL A 71 12.275 3.484 -2.987 1.00 0.00 H new ATOM 0 HA VAL A 71 13.869 3.871 -0.525 1.00 0.00 H new ATOM 0 HB VAL A 71 11.160 2.608 -1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 71 10.633 2.868 1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 71 12.037 1.799 0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.278 3.481 1.444 1.00 0.00 H new ATOM 0 HG21 VAL A 71 10.222 4.753 -0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.867 5.361 -0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.332 5.021 -1.807 1.00 0.00 H new ATOM 433 N LEU A 72 14.913 1.498 -1.470 1.00 0.00 N ATOM 434 CA LEU A 72 15.514 0.143 -1.295 1.00 0.00 C ATOM 435 C LEU A 72 17.038 0.252 -1.159 1.00 0.00 C ATOM 436 O LEU A 72 17.778 -0.518 -1.737 1.00 0.00 O ATOM 437 CB LEU A 72 15.141 -0.622 -2.562 1.00 0.00 C ATOM 438 CG LEU A 72 14.218 -1.789 -2.201 1.00 0.00 C ATOM 439 CD1 LEU A 72 13.027 -1.275 -1.390 1.00 0.00 C ATOM 440 CD2 LEU A 72 13.715 -2.455 -3.482 1.00 0.00 C ATOM 0 H LEU A 72 15.444 2.135 -2.063 1.00 0.00 H new ATOM 0 HA LEU A 72 15.152 -0.357 -0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 72 14.644 0.043 -3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 72 16.040 -0.994 -3.053 1.00 0.00 H new ATOM 0 HG LEU A 72 14.771 -2.515 -1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.373 -2.109 -1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 72 13.386 -0.803 -0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 72 12.472 -0.546 -1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 72 13.058 -3.286 -3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 72 13.165 -1.727 -4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 72 14.564 -2.827 -4.056 1.00 0.00 H new ATOM 452 N SER A 73 17.511 1.201 -0.398 1.00 0.00 N ATOM 453 CA SER A 73 18.984 1.353 -0.229 1.00 0.00 C ATOM 454 C SER A 73 19.310 1.777 1.208 1.00 0.00 C ATOM 455 O SER A 73 20.263 2.488 1.457 1.00 0.00 O ATOM 456 CB SER A 73 19.381 2.441 -1.228 1.00 0.00 C ATOM 457 OG SER A 73 19.776 3.612 -0.529 1.00 0.00 O ATOM 0 H SER A 73 16.942 1.876 0.113 1.00 0.00 H new ATOM 0 HA SER A 73 19.525 0.424 -0.408 1.00 0.00 H new ATOM 0 HB2 SER A 73 20.198 2.089 -1.858 1.00 0.00 H new ATOM 0 HB3 SER A 73 18.543 2.665 -1.888 1.00 0.00 H new ATOM 0 HG SER A 73 20.538 3.405 0.051 1.00 0.00 H new ATOM 463 N VAL A 74 18.522 1.342 2.154 1.00 0.00 N ATOM 464 CA VAL A 74 18.783 1.722 3.573 1.00 0.00 C ATOM 465 C VAL A 74 19.204 0.496 4.389 1.00 0.00 C ATOM 466 O VAL A 74 20.175 0.531 5.117 1.00 0.00 O ATOM 467 CB VAL A 74 17.453 2.277 4.088 1.00 0.00 C ATOM 468 CG1 VAL A 74 17.480 2.344 5.616 1.00 0.00 C ATOM 469 CG2 VAL A 74 17.237 3.683 3.525 1.00 0.00 C ATOM 0 H VAL A 74 17.711 0.741 2.007 1.00 0.00 H new ATOM 0 HA VAL A 74 19.591 2.449 3.659 1.00 0.00 H new ATOM 0 HB VAL A 74 16.641 1.624 3.768 1.00 0.00 H new ATOM 0 HG11 VAL A 74 16.532 2.740 5.980 1.00 0.00 H new ATOM 0 HG12 VAL A 74 17.635 1.344 6.021 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.292 2.996 5.937 1.00 0.00 H new ATOM 0 HG21 VAL A 74 16.290 4.080 3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 74 18.051 4.333 3.846 1.00 0.00 H new ATOM 0 HG23 VAL A 74 17.216 3.640 2.436 1.00 0.00 H new ATOM 479 N LEU A 75 18.479 -0.584 4.279 1.00 0.00 N ATOM 480 CA LEU A 75 18.836 -1.806 5.059 1.00 0.00 C ATOM 481 C LEU A 75 20.232 -2.308 4.679 1.00 0.00 C ATOM 482 O LEU A 75 20.922 -2.904 5.481 1.00 0.00 O ATOM 483 CB LEU A 75 17.773 -2.841 4.692 1.00 0.00 C ATOM 484 CG LEU A 75 17.384 -3.628 5.943 1.00 0.00 C ATOM 485 CD1 LEU A 75 18.648 -4.150 6.628 1.00 0.00 C ATOM 486 CD2 LEU A 75 16.629 -2.709 6.906 1.00 0.00 C ATOM 0 H LEU A 75 17.656 -0.674 3.684 1.00 0.00 H new ATOM 0 HA LEU A 75 18.860 -1.608 6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 75 16.897 -2.347 4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 75 18.155 -3.517 3.927 1.00 0.00 H new ATOM 0 HG LEU A 75 16.747 -4.467 5.663 1.00 0.00 H new ATOM 0 HD11 LEU A 75 18.373 -4.712 7.521 1.00 0.00 H new ATOM 0 HD12 LEU A 75 19.191 -4.801 5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 75 19.283 -3.310 6.910 1.00 0.00 H new ATOM 0 HD21 LEU A 75 16.350 -3.268 7.799 1.00 0.00 H new ATOM 0 HD22 LEU A 75 17.268 -1.872 7.187 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.730 -2.332 6.419 1.00 0.00 H new ATOM 498 N LYS A 76 20.657 -2.072 3.470 1.00 0.00 N ATOM 499 CA LYS A 76 22.012 -2.539 3.061 1.00 0.00 C ATOM 500 C LYS A 76 22.338 -2.048 1.649 1.00 0.00 C ATOM 501 O LYS A 76 21.490 -1.528 0.950 1.00 0.00 O ATOM 502 CB LYS A 76 21.950 -4.070 3.119 1.00 0.00 C ATOM 503 CG LYS A 76 21.251 -4.626 1.873 1.00 0.00 C ATOM 504 CD LYS A 76 20.903 -6.098 2.106 1.00 0.00 C ATOM 505 CE LYS A 76 19.983 -6.593 0.989 1.00 0.00 C ATOM 506 NZ LYS A 76 20.371 -8.016 0.775 1.00 0.00 N ATOM 0 H LYS A 76 20.129 -1.579 2.750 1.00 0.00 H new ATOM 0 HA LYS A 76 22.796 -2.151 3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 76 22.958 -4.478 3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 76 21.414 -4.385 4.015 1.00 0.00 H new ATOM 0 HG2 LYS A 76 20.347 -4.055 1.663 1.00 0.00 H new ATOM 0 HG3 LYS A 76 21.900 -4.527 1.003 1.00 0.00 H new ATOM 0 HD2 LYS A 76 21.813 -6.697 2.133 1.00 0.00 H new ATOM 0 HD3 LYS A 76 20.414 -6.218 3.073 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.934 -6.508 1.274 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.115 -6.007 0.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 19.783 -8.427 0.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 21.372 -8.065 0.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 20.229 -8.551 1.656 1.00 0.00 H new ATOM 520 N GLY A 77 23.564 -2.197 1.227 1.00 0.00 N ATOM 521 CA GLY A 77 23.943 -1.727 -0.133 1.00 0.00 C ATOM 522 C GLY A 77 24.195 -0.217 -0.099 1.00 0.00 C ATOM 523 O GLY A 77 24.442 0.405 -1.113 1.00 0.00 O ATOM 0 H GLY A 77 24.318 -2.624 1.766 1.00 0.00 H new ATOM 0 HA2 GLY A 77 24.838 -2.248 -0.473 1.00 0.00 H new ATOM 0 HA3 GLY A 77 23.150 -1.958 -0.844 1.00 0.00 H new ATOM 527 N GLU A 78 24.135 0.381 1.064 1.00 0.00 N ATOM 528 CA GLU A 78 24.372 1.851 1.156 1.00 0.00 C ATOM 529 C GLU A 78 24.307 2.316 2.616 1.00 0.00 C ATOM 530 O GLU A 78 23.925 3.434 2.902 1.00 0.00 O ATOM 531 CB GLU A 78 23.245 2.483 0.332 1.00 0.00 C ATOM 532 CG GLU A 78 23.373 4.014 0.337 1.00 0.00 C ATOM 533 CD GLU A 78 24.839 4.424 0.151 1.00 0.00 C ATOM 534 OE1 GLU A 78 25.423 4.026 -0.844 1.00 0.00 O ATOM 535 OE2 GLU A 78 25.351 5.126 1.008 1.00 0.00 O ATOM 0 H GLU A 78 23.933 -0.084 1.949 1.00 0.00 H new ATOM 0 HA GLU A 78 25.357 2.135 0.785 1.00 0.00 H new ATOM 0 HB2 GLU A 78 23.282 2.112 -0.692 1.00 0.00 H new ATOM 0 HB3 GLU A 78 22.278 2.191 0.742 1.00 0.00 H new ATOM 0 HG2 GLU A 78 22.765 4.440 -0.461 1.00 0.00 H new ATOM 0 HG3 GLU A 78 22.992 4.415 1.276 1.00 0.00 H new ATOM 542 N GLU A 79 24.686 1.478 3.542 1.00 0.00 N ATOM 543 CA GLU A 79 24.650 1.894 4.975 1.00 0.00 C ATOM 544 C GLU A 79 25.863 1.326 5.725 1.00 0.00 C ATOM 545 O GLU A 79 26.011 1.636 6.896 1.00 0.00 O ATOM 546 CB GLU A 79 23.317 1.344 5.523 1.00 0.00 C ATOM 547 CG GLU A 79 23.482 -0.091 6.050 1.00 0.00 C ATOM 548 CD GLU A 79 22.219 -0.498 6.811 1.00 0.00 C ATOM 549 OE1 GLU A 79 21.417 0.375 7.097 1.00 0.00 O ATOM 550 OE2 GLU A 79 22.076 -1.677 7.097 1.00 0.00 O ATOM 551 OXT GLU A 79 26.622 0.591 5.114 1.00 0.00 O ATOM 0 H GLU A 79 25.017 0.529 3.371 1.00 0.00 H new ATOM 0 HA GLU A 79 24.704 2.975 5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 79 22.956 1.989 6.324 1.00 0.00 H new ATOM 0 HB3 GLU A 79 22.563 1.361 4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 79 23.658 -0.777 5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 79 24.351 -0.153 6.705 1.00 0.00 H new TER 558 GLU A 79