USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 605 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 1 LEU N :NH3+ -172:sc= 0 (180deg=-0.048) USER MOD Set 1.2: A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 44:sc= 0.168 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.1) USER MOD Single : A 18 LYS NZ :NH3+ 137:sc= -0.92 (180deg=-2.78!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.412 X(o=-0.41,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -16.7! C(o=-17!,f=-21!) USER MOD Single : A 33 LYS NZ :NH3+ 173:sc= -0.0455 (180deg=-0.183) USER MOD Single : A 37 SER OG : rot -163:sc= -0.206 USER MOD Single : A 42 LYS NZ :NH3+ -174:sc= -0.0687 (180deg=-0.0998) USER MOD Single : A 46 TYR OH : rot -6:sc= -2.56! USER MOD Single : A 47 LYS NZ :NH3+ 163:sc= -1.1 (180deg=-1.53) USER MOD Single : A 49 GLN : amide:sc= -5.42! C(o=-5.4!,f=-6!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 163:sc= -0.18 (180deg=-0.757) USER MOD Single : A 58 ASN : amide:sc= -1.18 K(o=-1.2,f=-6.1!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.229 X(o=-0.23,f=-0.00033) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -12.967 -17.171 4.211 1.00 0.00 N ATOM 2 CA LEU A 1 -14.268 -16.470 4.362 1.00 0.00 C ATOM 3 C LEU A 1 -14.661 -16.347 5.830 1.00 0.00 C ATOM 4 O LEU A 1 -15.147 -15.305 6.268 1.00 0.00 O ATOM 5 CB LEU A 1 -15.335 -17.251 3.591 1.00 0.00 C ATOM 6 CG LEU A 1 -16.346 -16.390 2.832 1.00 0.00 C ATOM 7 CD1 LEU A 1 -15.793 -15.992 1.471 1.00 0.00 C ATOM 8 CD2 LEU A 1 -17.665 -17.132 2.676 1.00 0.00 C ATOM 0 H1 LEU A 1 -12.659 -17.121 3.219 1.00 0.00 H new ATOM 0 H2 LEU A 1 -12.255 -16.716 4.818 1.00 0.00 H new ATOM 0 H3 LEU A 1 -13.075 -18.167 4.491 1.00 0.00 H new ATOM 0 HA LEU A 1 -14.179 -15.460 3.962 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -14.838 -17.911 2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -15.876 -17.886 4.292 1.00 0.00 H new ATOM 0 HG LEU A 1 -16.527 -15.482 3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -16.526 -15.380 0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -14.873 -15.422 1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -15.583 -16.888 0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -18.373 -16.505 2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -17.499 -18.056 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -18.069 -17.367 3.661 1.00 0.00 H new ATOM 22 N LYS A 2 -14.445 -17.419 6.585 1.00 0.00 N ATOM 23 CA LYS A 2 -14.777 -17.432 8.007 1.00 0.00 C ATOM 24 C LYS A 2 -13.564 -17.046 8.850 1.00 0.00 C ATOM 25 O LYS A 2 -12.569 -16.543 8.330 1.00 0.00 O ATOM 26 CB LYS A 2 -15.287 -18.816 8.417 1.00 0.00 C ATOM 27 CG LYS A 2 -16.707 -18.802 8.963 1.00 0.00 C ATOM 28 CD LYS A 2 -17.713 -18.445 7.885 1.00 0.00 C ATOM 29 CE LYS A 2 -19.047 -18.031 8.484 1.00 0.00 C ATOM 30 NZ LYS A 2 -19.194 -16.549 8.548 1.00 0.00 N ATOM 0 H LYS A 2 -14.042 -18.289 6.238 1.00 0.00 H new ATOM 0 HA LYS A 2 -15.564 -16.698 8.183 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -15.245 -19.481 7.554 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.620 -19.231 9.172 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -16.948 -19.781 9.378 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -16.777 -18.084 9.780 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -17.320 -17.633 7.273 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -17.859 -19.300 7.224 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -19.858 -18.450 7.888 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -19.139 -18.448 9.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -20.117 -16.309 8.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -18.436 -16.150 9.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -19.132 -16.152 7.589 1.00 0.00 H new ATOM 44 N LYS A 3 -13.657 -17.286 10.155 1.00 0.00 N ATOM 45 CA LYS A 3 -12.569 -16.964 11.073 1.00 0.00 C ATOM 46 C LYS A 3 -12.352 -15.455 11.152 1.00 0.00 C ATOM 47 O LYS A 3 -12.761 -14.809 12.117 1.00 0.00 O ATOM 48 CB LYS A 3 -11.276 -17.660 10.635 1.00 0.00 C ATOM 49 CG LYS A 3 -10.754 -18.665 11.648 1.00 0.00 C ATOM 50 CD LYS A 3 -11.627 -19.908 11.704 1.00 0.00 C ATOM 51 CE LYS A 3 -12.449 -19.957 12.982 1.00 0.00 C ATOM 52 NZ LYS A 3 -11.879 -20.909 13.973 1.00 0.00 N ATOM 0 H LYS A 3 -14.475 -17.702 10.600 1.00 0.00 H new ATOM 0 HA LYS A 3 -12.845 -17.324 12.064 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -11.450 -18.169 9.687 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -10.510 -16.906 10.456 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -9.734 -18.948 11.388 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -10.715 -18.202 12.634 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -12.293 -19.925 10.841 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -11.000 -20.797 11.640 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -12.496 -18.961 13.422 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -13.472 -20.249 12.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -12.469 -20.913 14.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -11.857 -21.865 13.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -10.912 -20.616 14.219 1.00 0.00 H new ATOM 66 N THR A 4 -11.707 -14.899 10.131 1.00 0.00 N ATOM 67 CA THR A 4 -11.436 -13.466 10.085 1.00 0.00 C ATOM 68 C THR A 4 -12.600 -12.714 9.447 1.00 0.00 C ATOM 69 O THR A 4 -13.428 -13.303 8.753 1.00 0.00 O ATOM 70 CB THR A 4 -10.149 -13.194 9.307 1.00 0.00 C ATOM 71 OG1 THR A 4 -10.273 -13.627 7.963 1.00 0.00 O ATOM 72 CG2 THR A 4 -8.935 -13.877 9.898 1.00 0.00 C ATOM 0 H THR A 4 -11.362 -15.419 9.324 1.00 0.00 H new ATOM 0 HA THR A 4 -11.314 -13.111 11.108 1.00 0.00 H new ATOM 0 HB THR A 4 -10.002 -12.115 9.363 1.00 0.00 H new ATOM 0 HG1 THR A 4 -9.440 -13.442 7.482 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.057 -13.642 9.297 1.00 0.00 H new ATOM 0 HG22 THR A 4 -8.781 -13.526 10.918 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.092 -14.956 9.905 1.00 0.00 H new ATOM 80 N SER A 5 -12.655 -11.407 9.687 1.00 0.00 N ATOM 81 CA SER A 5 -13.716 -10.575 9.136 1.00 0.00 C ATOM 82 C SER A 5 -13.398 -10.164 7.703 1.00 0.00 C ATOM 83 O SER A 5 -12.472 -9.387 7.460 1.00 0.00 O ATOM 84 CB SER A 5 -13.918 -9.329 10.002 1.00 0.00 C ATOM 85 OG SER A 5 -12.679 -8.717 10.312 1.00 0.00 O ATOM 0 H SER A 5 -11.977 -10.903 10.259 1.00 0.00 H new ATOM 0 HA SER A 5 -14.636 -11.160 9.132 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.557 -8.618 9.478 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.433 -9.602 10.923 1.00 0.00 H new ATOM 0 HG SER A 5 -12.117 -8.692 9.510 1.00 0.00 H new ATOM 91 N SER A 6 -14.166 -10.689 6.756 1.00 0.00 N ATOM 92 CA SER A 6 -13.965 -10.379 5.344 1.00 0.00 C ATOM 93 C SER A 6 -12.603 -10.867 4.867 1.00 0.00 C ATOM 94 O SER A 6 -11.613 -10.788 5.595 1.00 0.00 O ATOM 95 CB SER A 6 -14.091 -8.872 5.107 1.00 0.00 C ATOM 96 OG SER A 6 -15.251 -8.350 5.734 1.00 0.00 O ATOM 0 H SER A 6 -14.935 -11.333 6.940 1.00 0.00 H new ATOM 0 HA SER A 6 -14.736 -10.896 4.773 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.206 -8.365 5.493 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.132 -8.672 4.036 1.00 0.00 H new ATOM 0 HG SER A 6 -15.306 -7.386 5.568 1.00 0.00 H new ATOM 102 N SER A 7 -12.559 -11.373 3.639 1.00 0.00 N ATOM 103 CA SER A 7 -11.316 -11.876 3.063 1.00 0.00 C ATOM 104 C SER A 7 -10.723 -10.864 2.086 1.00 0.00 C ATOM 105 O SER A 7 -10.234 -11.229 1.018 1.00 0.00 O ATOM 106 CB SER A 7 -11.561 -13.207 2.351 1.00 0.00 C ATOM 107 OG SER A 7 -11.625 -14.276 3.280 1.00 0.00 O ATOM 0 H SER A 7 -13.369 -11.446 3.023 1.00 0.00 H new ATOM 0 HA SER A 7 -10.605 -12.033 3.874 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.492 -13.155 1.786 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.762 -13.392 1.633 1.00 0.00 H new ATOM 0 HG SER A 7 -11.784 -15.116 2.801 1.00 0.00 H new ATOM 113 N GLY A 8 -10.769 -9.590 2.461 1.00 0.00 N ATOM 114 CA GLY A 8 -10.233 -8.545 1.611 1.00 0.00 C ATOM 115 C GLY A 8 -9.763 -7.339 2.401 1.00 0.00 C ATOM 116 O GLY A 8 -10.261 -7.077 3.496 1.00 0.00 O ATOM 0 H GLY A 8 -11.169 -9.263 3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.400 -8.943 1.032 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.996 -8.233 0.898 1.00 0.00 H new ATOM 120 N LEU A 9 -8.807 -6.600 1.847 1.00 0.00 N ATOM 121 CA LEU A 9 -8.279 -5.418 2.507 1.00 0.00 C ATOM 122 C LEU A 9 -7.953 -4.346 1.486 1.00 0.00 C ATOM 123 O LEU A 9 -7.436 -4.640 0.408 1.00 0.00 O ATOM 124 CB LEU A 9 -7.030 -5.770 3.319 1.00 0.00 C ATOM 125 CG LEU A 9 -7.264 -6.733 4.483 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.020 -7.567 4.746 1.00 0.00 C ATOM 127 CD2 LEU A 9 -7.669 -5.968 5.734 1.00 0.00 C ATOM 0 H LEU A 9 -8.384 -6.802 0.941 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.040 -5.035 3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.291 -6.208 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.599 -4.849 3.711 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.077 -7.407 4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.206 -8.246 5.578 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.774 -8.144 3.855 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.187 -6.909 4.994 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.832 -6.669 6.553 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.877 -5.270 6.006 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.589 -5.416 5.541 1.00 0.00 H new ATOM 139 N TYR A 10 -8.245 -3.102 1.830 1.00 0.00 N ATOM 140 CA TYR A 10 -7.969 -1.994 0.939 1.00 0.00 C ATOM 141 C TYR A 10 -6.719 -1.264 1.392 1.00 0.00 C ATOM 142 O TYR A 10 -6.730 -0.543 2.388 1.00 0.00 O ATOM 143 CB TYR A 10 -9.164 -1.043 0.886 1.00 0.00 C ATOM 144 CG TYR A 10 -10.471 -1.749 0.599 1.00 0.00 C ATOM 145 CD1 TYR A 10 -10.740 -2.256 -0.662 1.00 0.00 C ATOM 146 CD2 TYR A 10 -11.426 -1.915 1.589 1.00 0.00 C ATOM 147 CE1 TYR A 10 -11.926 -2.911 -0.934 1.00 0.00 C ATOM 148 CE2 TYR A 10 -12.618 -2.567 1.330 1.00 0.00 C ATOM 149 CZ TYR A 10 -12.862 -3.064 0.066 1.00 0.00 C ATOM 150 OH TYR A 10 -14.046 -3.713 -0.197 1.00 0.00 O ATOM 0 H TYR A 10 -8.672 -2.838 2.718 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.799 -2.381 -0.066 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.244 -0.516 1.837 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.988 -0.290 0.118 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.009 -2.137 -1.448 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.236 -1.529 2.580 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.118 -3.300 -1.923 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.353 -2.686 2.112 1.00 0.00 H new ATOM 0 HH TYR A 10 -14.594 -3.736 0.615 1.00 0.00 H new ATOM 160 N LYS A 11 -5.640 -1.458 0.649 1.00 0.00 N ATOM 161 CA LYS A 11 -4.370 -0.814 0.967 1.00 0.00 C ATOM 162 C LYS A 11 -3.863 -0.019 -0.227 1.00 0.00 C ATOM 163 O LYS A 11 -4.200 -0.325 -1.370 1.00 0.00 O ATOM 164 CB LYS A 11 -3.334 -1.859 1.380 1.00 0.00 C ATOM 165 CG LYS A 11 -3.853 -2.861 2.397 1.00 0.00 C ATOM 166 CD LYS A 11 -2.812 -3.923 2.715 1.00 0.00 C ATOM 167 CE LYS A 11 -3.457 -5.187 3.259 1.00 0.00 C ATOM 168 NZ LYS A 11 -2.490 -6.018 4.030 1.00 0.00 N ATOM 0 H LYS A 11 -5.616 -2.055 -0.178 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.530 -0.129 1.800 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.998 -2.395 0.493 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.463 -1.351 1.795 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.134 -2.340 3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.755 -3.338 2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.246 -4.160 1.815 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.102 -3.532 3.444 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.297 -4.919 3.900 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.861 -5.773 2.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.970 -6.870 4.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.701 -6.296 3.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.123 -5.469 4.833 1.00 0.00 H new ATOM 182 N VAL A 12 -3.046 1.001 0.030 1.00 0.00 N ATOM 183 CA VAL A 12 -2.507 1.813 -1.054 1.00 0.00 C ATOM 184 C VAL A 12 -1.042 1.462 -1.301 1.00 0.00 C ATOM 185 O VAL A 12 -0.320 1.113 -0.374 1.00 0.00 O ATOM 186 CB VAL A 12 -2.645 3.337 -0.792 1.00 0.00 C ATOM 187 CG1 VAL A 12 -3.021 4.065 -2.065 1.00 0.00 C ATOM 188 CG2 VAL A 12 -3.684 3.645 0.280 1.00 0.00 C ATOM 0 H VAL A 12 -2.748 1.280 0.965 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.099 1.583 -1.940 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.673 3.682 -0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.113 5.132 -1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.249 3.905 -2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.973 3.683 -2.435 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.745 4.723 0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.656 3.267 -0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.395 3.166 1.215 1.00 0.00 H new ATOM 198 N GLN A 13 -0.613 1.528 -2.558 1.00 0.00 N ATOM 199 CA GLN A 13 0.764 1.191 -2.912 1.00 0.00 C ATOM 200 C GLN A 13 1.338 2.181 -3.921 1.00 0.00 C ATOM 201 O GLN A 13 0.684 2.532 -4.902 1.00 0.00 O ATOM 202 CB GLN A 13 0.831 -0.227 -3.480 1.00 0.00 C ATOM 203 CG GLN A 13 2.245 -0.692 -3.796 1.00 0.00 C ATOM 204 CD GLN A 13 2.496 -0.826 -5.285 1.00 0.00 C ATOM 205 OE1 GLN A 13 1.866 -0.149 -6.096 1.00 0.00 O ATOM 206 NE2 GLN A 13 3.422 -1.705 -5.651 1.00 0.00 N ATOM 0 H GLN A 13 -1.196 1.810 -3.346 1.00 0.00 H new ATOM 0 HA GLN A 13 1.364 1.246 -2.004 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.382 -0.917 -2.765 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.231 -0.274 -4.389 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.959 0.015 -3.373 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.424 -1.653 -3.313 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.920 -2.245 -4.944 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.635 -1.840 -6.639 1.00 0.00 H new ATOM 215 N ILE A 14 2.562 2.637 -3.667 1.00 0.00 N ATOM 216 CA ILE A 14 3.208 3.595 -4.554 1.00 0.00 C ATOM 217 C ILE A 14 4.332 2.970 -5.380 1.00 0.00 C ATOM 218 O ILE A 14 4.891 3.630 -6.256 1.00 0.00 O ATOM 219 CB ILE A 14 3.774 4.798 -3.777 1.00 0.00 C ATOM 220 CG1 ILE A 14 4.744 4.321 -2.688 1.00 0.00 C ATOM 221 CG2 ILE A 14 2.641 5.632 -3.198 1.00 0.00 C ATOM 222 CD1 ILE A 14 4.288 4.587 -1.269 1.00 0.00 C ATOM 0 H ILE A 14 3.121 2.360 -2.860 1.00 0.00 H new ATOM 0 HA ILE A 14 2.426 3.933 -5.234 1.00 0.00 H new ATOM 0 HB ILE A 14 4.335 5.434 -4.462 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.904 3.250 -2.808 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.708 4.807 -2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.055 6.479 -2.651 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.008 5.997 -4.007 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.047 5.018 -2.521 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.037 4.215 -0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.157 5.659 -1.124 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.341 4.078 -1.090 1.00 0.00 H new ATOM 234 N GLY A 15 4.662 1.700 -5.128 1.00 0.00 N ATOM 235 CA GLY A 15 5.715 1.071 -5.909 1.00 0.00 C ATOM 236 C GLY A 15 6.272 -0.205 -5.307 1.00 0.00 C ATOM 237 O GLY A 15 6.011 -0.533 -4.149 1.00 0.00 O ATOM 0 H GLY A 15 4.231 1.111 -4.416 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.328 0.849 -6.904 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.530 1.783 -6.036 1.00 0.00 H new ATOM 241 N ALA A 16 7.074 -0.904 -6.111 1.00 0.00 N ATOM 242 CA ALA A 16 7.732 -2.139 -5.702 1.00 0.00 C ATOM 243 C ALA A 16 9.045 -2.291 -6.470 1.00 0.00 C ATOM 244 O ALA A 16 9.110 -1.965 -7.654 1.00 0.00 O ATOM 245 CB ALA A 16 6.829 -3.346 -5.934 1.00 0.00 C ATOM 0 H ALA A 16 7.285 -0.625 -7.069 1.00 0.00 H new ATOM 0 HA ALA A 16 7.943 -2.089 -4.634 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.346 -4.253 -5.620 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.913 -3.232 -5.355 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.582 -3.417 -6.993 1.00 0.00 H new ATOM 251 N PHE A 17 10.090 -2.770 -5.804 1.00 0.00 N ATOM 252 CA PHE A 17 11.384 -2.934 -6.459 1.00 0.00 C ATOM 253 C PHE A 17 12.183 -4.067 -5.829 1.00 0.00 C ATOM 254 O PHE A 17 12.053 -4.347 -4.641 1.00 0.00 O ATOM 255 CB PHE A 17 12.191 -1.634 -6.382 1.00 0.00 C ATOM 256 CG PHE A 17 11.358 -0.393 -6.548 1.00 0.00 C ATOM 257 CD1 PHE A 17 10.644 0.123 -5.479 1.00 0.00 C ATOM 258 CD2 PHE A 17 11.289 0.253 -7.771 1.00 0.00 C ATOM 259 CE1 PHE A 17 9.877 1.263 -5.627 1.00 0.00 C ATOM 260 CE2 PHE A 17 10.523 1.393 -7.927 1.00 0.00 C ATOM 261 CZ PHE A 17 9.817 1.899 -6.852 1.00 0.00 C ATOM 0 H PHE A 17 10.069 -3.049 -4.823 1.00 0.00 H new ATOM 0 HA PHE A 17 11.195 -3.182 -7.503 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.703 -1.591 -5.421 1.00 0.00 H new ATOM 0 HB3 PHE A 17 12.962 -1.649 -7.153 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.687 -0.371 -4.520 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.840 -0.139 -8.613 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.325 1.656 -4.786 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.476 1.887 -8.886 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.219 2.791 -6.969 1.00 0.00 H new ATOM 271 N LYS A 18 13.019 -4.710 -6.639 1.00 0.00 N ATOM 272 CA LYS A 18 13.850 -5.811 -6.166 1.00 0.00 C ATOM 273 C LYS A 18 14.800 -5.359 -5.059 1.00 0.00 C ATOM 274 O LYS A 18 15.398 -6.186 -4.372 1.00 0.00 O ATOM 275 CB LYS A 18 14.650 -6.404 -7.326 1.00 0.00 C ATOM 276 CG LYS A 18 15.550 -5.396 -8.024 1.00 0.00 C ATOM 277 CD LYS A 18 15.918 -5.854 -9.425 1.00 0.00 C ATOM 278 CE LYS A 18 16.670 -7.175 -9.401 1.00 0.00 C ATOM 279 NZ LYS A 18 15.747 -8.338 -9.282 1.00 0.00 N ATOM 0 H LYS A 18 13.139 -4.487 -7.627 1.00 0.00 H new ATOM 0 HA LYS A 18 13.189 -6.573 -5.754 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.261 -7.226 -6.952 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.958 -6.827 -8.055 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.045 -4.431 -8.076 1.00 0.00 H new ATOM 0 HG3 LYS A 18 16.457 -5.250 -7.438 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.013 -5.960 -10.023 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.532 -5.094 -9.908 1.00 0.00 H new ATOM 0 HE2 LYS A 18 17.261 -7.273 -10.311 1.00 0.00 H new ATOM 0 HE3 LYS A 18 17.369 -7.179 -8.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.052 -9.091 -9.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.763 -8.696 -8.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.781 -8.041 -9.526 1.00 0.00 H new ATOM 293 N VAL A 19 14.945 -4.046 -4.892 1.00 0.00 N ATOM 294 CA VAL A 19 15.832 -3.504 -3.874 1.00 0.00 C ATOM 295 C VAL A 19 15.055 -2.930 -2.693 1.00 0.00 C ATOM 296 O VAL A 19 14.144 -2.119 -2.869 1.00 0.00 O ATOM 297 CB VAL A 19 16.734 -2.401 -4.455 1.00 0.00 C ATOM 298 CG1 VAL A 19 17.789 -1.981 -3.443 1.00 0.00 C ATOM 299 CG2 VAL A 19 17.385 -2.869 -5.749 1.00 0.00 C ATOM 0 H VAL A 19 14.460 -3.342 -5.449 1.00 0.00 H new ATOM 0 HA VAL A 19 16.446 -4.334 -3.525 1.00 0.00 H new ATOM 0 HB VAL A 19 16.113 -1.533 -4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.416 -1.200 -3.874 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.301 -1.601 -2.546 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.407 -2.841 -3.183 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.019 -2.076 -6.145 1.00 0.00 H new ATOM 0 HG22 VAL A 19 17.991 -3.754 -5.552 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.612 -3.113 -6.478 1.00 0.00 H new ATOM 309 N LYS A 20 15.429 -3.352 -1.490 1.00 0.00 N ATOM 310 CA LYS A 20 14.784 -2.886 -0.275 1.00 0.00 C ATOM 311 C LYS A 20 15.161 -1.442 0.013 1.00 0.00 C ATOM 312 O LYS A 20 14.312 -0.645 0.401 1.00 0.00 O ATOM 313 CB LYS A 20 15.159 -3.772 0.911 1.00 0.00 C ATOM 314 CG LYS A 20 14.692 -3.209 2.242 1.00 0.00 C ATOM 315 CD LYS A 20 14.238 -4.297 3.196 1.00 0.00 C ATOM 316 CE LYS A 20 12.756 -4.174 3.488 1.00 0.00 C ATOM 317 NZ LYS A 20 12.418 -4.621 4.868 1.00 0.00 N ATOM 0 H LYS A 20 16.182 -4.022 -1.333 1.00 0.00 H new ATOM 0 HA LYS A 20 13.706 -2.942 -0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.726 -4.762 0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.241 -3.898 0.936 1.00 0.00 H new ATOM 0 HG2 LYS A 20 15.503 -2.642 2.699 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.872 -2.512 2.072 1.00 0.00 H new ATOM 0 HD2 LYS A 20 14.448 -5.276 2.765 1.00 0.00 H new ATOM 0 HD3 LYS A 20 14.803 -4.230 4.126 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.446 -3.137 3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.194 -4.768 2.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.395 -4.520 5.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.690 -5.618 4.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.933 -4.038 5.558 1.00 0.00 H new ATOM 331 N ALA A 21 16.430 -1.091 -0.191 1.00 0.00 N ATOM 332 CA ALA A 21 16.874 0.276 0.040 1.00 0.00 C ATOM 333 C ALA A 21 15.967 1.244 -0.707 1.00 0.00 C ATOM 334 O ALA A 21 15.747 2.378 -0.274 1.00 0.00 O ATOM 335 CB ALA A 21 18.321 0.450 -0.400 1.00 0.00 C ATOM 0 H ALA A 21 17.159 -1.728 -0.512 1.00 0.00 H new ATOM 0 HA ALA A 21 16.817 0.491 1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.635 1.478 -0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.958 -0.229 0.167 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.408 0.225 -1.463 1.00 0.00 H new ATOM 341 N ASN A 22 15.418 0.769 -1.820 1.00 0.00 N ATOM 342 CA ASN A 22 14.507 1.562 -2.624 1.00 0.00 C ATOM 343 C ASN A 22 13.109 1.502 -2.026 1.00 0.00 C ATOM 344 O ASN A 22 12.346 2.464 -2.113 1.00 0.00 O ATOM 345 CB ASN A 22 14.486 1.053 -4.067 1.00 0.00 C ATOM 346 CG ASN A 22 15.699 1.504 -4.857 1.00 0.00 C ATOM 347 OD1 ASN A 22 15.578 2.247 -5.830 1.00 0.00 O ATOM 348 ND2 ASN A 22 16.876 1.054 -4.440 1.00 0.00 N ATOM 0 H ASN A 22 15.592 -0.168 -2.184 1.00 0.00 H new ATOM 0 HA ASN A 22 14.850 2.597 -2.629 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.442 -0.036 -4.065 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.582 1.408 -4.561 1.00 0.00 H new ATOM 0 HD21 ASN A 22 17.728 1.323 -4.932 1.00 0.00 H new ATOM 0 HD22 ASN A 22 16.928 0.439 -3.628 1.00 0.00 H new ATOM 355 N ALA A 23 12.779 0.367 -1.406 1.00 0.00 N ATOM 356 CA ALA A 23 11.472 0.205 -0.785 1.00 0.00 C ATOM 357 C ALA A 23 11.385 0.991 0.523 1.00 0.00 C ATOM 358 O ALA A 23 10.297 1.341 0.978 1.00 0.00 O ATOM 359 CB ALA A 23 11.173 -1.269 -0.547 1.00 0.00 C ATOM 0 H ALA A 23 13.394 -0.442 -1.323 1.00 0.00 H new ATOM 0 HA ALA A 23 10.721 0.604 -1.467 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.192 -1.371 -0.082 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.181 -1.800 -1.499 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.932 -1.693 0.111 1.00 0.00 H new ATOM 365 N ASP A 24 12.544 1.268 1.120 1.00 0.00 N ATOM 366 CA ASP A 24 12.604 2.016 2.371 1.00 0.00 C ATOM 367 C ASP A 24 12.539 3.514 2.104 1.00 0.00 C ATOM 368 O ASP A 24 11.865 4.254 2.820 1.00 0.00 O ATOM 369 CB ASP A 24 13.889 1.676 3.130 1.00 0.00 C ATOM 370 CG ASP A 24 13.715 0.489 4.056 1.00 0.00 C ATOM 371 OD1 ASP A 24 13.543 -0.640 3.550 1.00 0.00 O ATOM 372 OD2 ASP A 24 13.748 0.687 5.289 1.00 0.00 O ATOM 0 H ASP A 24 13.453 0.984 0.755 1.00 0.00 H new ATOM 0 HA ASP A 24 11.746 1.734 2.981 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.684 1.463 2.416 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.206 2.543 3.710 1.00 0.00 H new ATOM 377 N SER A 25 13.230 3.956 1.056 1.00 0.00 N ATOM 378 CA SER A 25 13.229 5.367 0.687 1.00 0.00 C ATOM 379 C SER A 25 11.826 5.791 0.277 1.00 0.00 C ATOM 380 O SER A 25 11.382 6.900 0.575 1.00 0.00 O ATOM 381 CB SER A 25 14.213 5.623 -0.455 1.00 0.00 C ATOM 382 OG SER A 25 14.880 6.862 -0.288 1.00 0.00 O ATOM 0 H SER A 25 13.795 3.360 0.451 1.00 0.00 H new ATOM 0 HA SER A 25 13.543 5.956 1.549 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.944 4.816 -0.496 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.680 5.619 -1.406 1.00 0.00 H new ATOM 0 HG SER A 25 15.504 7.000 -1.031 1.00 0.00 H new ATOM 388 N LEU A 26 11.132 4.884 -0.401 1.00 0.00 N ATOM 389 CA LEU A 26 9.772 5.128 -0.856 1.00 0.00 C ATOM 390 C LEU A 26 8.821 5.209 0.337 1.00 0.00 C ATOM 391 O LEU A 26 8.017 6.133 0.445 1.00 0.00 O ATOM 392 CB LEU A 26 9.343 4.010 -1.810 1.00 0.00 C ATOM 393 CG LEU A 26 8.004 4.218 -2.518 1.00 0.00 C ATOM 394 CD1 LEU A 26 8.000 5.521 -3.306 1.00 0.00 C ATOM 395 CD2 LEU A 26 7.704 3.040 -3.437 1.00 0.00 C ATOM 0 H LEU A 26 11.496 3.964 -0.649 1.00 0.00 H new ATOM 0 HA LEU A 26 9.736 6.080 -1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.118 3.887 -2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.295 3.077 -1.248 1.00 0.00 H new ATOM 0 HG LEU A 26 7.224 4.280 -1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.036 5.645 -3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.170 6.357 -2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.791 5.495 -4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.748 3.201 -3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.492 2.952 -4.185 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.657 2.123 -2.850 1.00 0.00 H new ATOM 407 N ALA A 27 8.931 4.249 1.245 1.00 0.00 N ATOM 408 CA ALA A 27 8.092 4.236 2.437 1.00 0.00 C ATOM 409 C ALA A 27 8.288 5.518 3.243 1.00 0.00 C ATOM 410 O ALA A 27 7.399 5.948 3.978 1.00 0.00 O ATOM 411 CB ALA A 27 8.404 3.016 3.292 1.00 0.00 C ATOM 0 H ALA A 27 9.589 3.472 1.181 1.00 0.00 H new ATOM 0 HA ALA A 27 7.049 4.182 2.125 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.769 3.021 4.178 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.216 2.110 2.716 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.451 3.042 3.595 1.00 0.00 H new ATOM 417 N SER A 28 9.463 6.124 3.088 1.00 0.00 N ATOM 418 CA SER A 28 9.789 7.359 3.790 1.00 0.00 C ATOM 419 C SER A 28 9.061 8.548 3.173 1.00 0.00 C ATOM 420 O SER A 28 8.564 9.421 3.885 1.00 0.00 O ATOM 421 CB SER A 28 11.300 7.599 3.764 1.00 0.00 C ATOM 422 OG SER A 28 11.925 7.054 4.912 1.00 0.00 O ATOM 0 H SER A 28 10.205 5.777 2.481 1.00 0.00 H new ATOM 0 HA SER A 28 9.461 7.257 4.824 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.727 7.150 2.867 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.500 8.669 3.711 1.00 0.00 H new ATOM 0 HG SER A 28 12.890 7.220 4.869 1.00 0.00 H new ATOM 428 N ASN A 29 9.000 8.582 1.842 1.00 0.00 N ATOM 429 CA ASN A 29 8.331 9.673 1.141 1.00 0.00 C ATOM 430 C ASN A 29 6.869 9.762 1.558 1.00 0.00 C ATOM 431 O ASN A 29 6.375 10.836 1.898 1.00 0.00 O ATOM 432 CB ASN A 29 8.464 9.501 -0.379 1.00 0.00 C ATOM 433 CG ASN A 29 7.492 8.499 -0.980 1.00 0.00 C ATOM 434 OD1 ASN A 29 7.891 7.420 -1.409 1.00 0.00 O ATOM 435 ND2 ASN A 29 6.216 8.860 -1.040 1.00 0.00 N ATOM 0 H ASN A 29 9.403 7.871 1.232 1.00 0.00 H new ATOM 0 HA ASN A 29 8.816 10.609 1.416 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.313 10.469 -0.857 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.482 9.187 -0.610 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.527 8.232 -1.454 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.924 9.766 -0.672 1.00 0.00 H new ATOM 442 N ALA A 30 6.186 8.625 1.542 1.00 0.00 N ATOM 443 CA ALA A 30 4.786 8.579 1.929 1.00 0.00 C ATOM 444 C ALA A 30 4.626 8.981 3.387 1.00 0.00 C ATOM 445 O ALA A 30 3.672 9.667 3.755 1.00 0.00 O ATOM 446 CB ALA A 30 4.213 7.191 1.693 1.00 0.00 C ATOM 0 H ALA A 30 6.579 7.725 1.266 1.00 0.00 H new ATOM 0 HA ALA A 30 4.233 9.288 1.312 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.164 7.175 1.988 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.296 6.938 0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.768 6.463 2.285 1.00 0.00 H new ATOM 452 N GLU A 31 5.575 8.552 4.217 1.00 0.00 N ATOM 453 CA GLU A 31 5.545 8.873 5.641 1.00 0.00 C ATOM 454 C GLU A 31 5.449 10.382 5.844 1.00 0.00 C ATOM 455 O GLU A 31 4.772 10.858 6.756 1.00 0.00 O ATOM 456 CB GLU A 31 6.795 8.329 6.336 1.00 0.00 C ATOM 457 CG GLU A 31 6.680 8.287 7.851 1.00 0.00 C ATOM 458 CD GLU A 31 8.029 8.359 8.541 1.00 0.00 C ATOM 459 OE1 GLU A 31 8.650 7.295 8.742 1.00 0.00 O ATOM 460 OE2 GLU A 31 8.462 9.480 8.879 1.00 0.00 O ATOM 0 H GLU A 31 6.371 7.983 3.929 1.00 0.00 H new ATOM 0 HA GLU A 31 4.666 8.403 6.082 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.997 7.323 5.967 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.650 8.946 6.062 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.059 9.117 8.188 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.173 7.369 8.148 1.00 0.00 H new ATOM 467 N ALA A 32 6.128 11.126 4.977 1.00 0.00 N ATOM 468 CA ALA A 32 6.124 12.584 5.036 1.00 0.00 C ATOM 469 C ALA A 32 4.697 13.111 5.052 1.00 0.00 C ATOM 470 O ALA A 32 4.330 13.911 5.911 1.00 0.00 O ATOM 471 CB ALA A 32 6.895 13.163 3.859 1.00 0.00 C ATOM 0 H ALA A 32 6.692 10.740 4.220 1.00 0.00 H new ATOM 0 HA ALA A 32 6.615 12.896 5.957 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.883 14.251 3.916 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.925 12.809 3.890 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.429 12.844 2.927 1.00 0.00 H new ATOM 477 N LYS A 33 3.887 12.634 4.112 1.00 0.00 N ATOM 478 CA LYS A 33 2.493 13.044 4.046 1.00 0.00 C ATOM 479 C LYS A 33 1.784 12.612 5.322 1.00 0.00 C ATOM 480 O LYS A 33 0.822 13.239 5.762 1.00 0.00 O ATOM 481 CB LYS A 33 1.804 12.423 2.835 1.00 0.00 C ATOM 482 CG LYS A 33 2.100 13.139 1.531 1.00 0.00 C ATOM 483 CD LYS A 33 1.528 14.549 1.526 1.00 0.00 C ATOM 484 CE LYS A 33 2.605 15.590 1.786 1.00 0.00 C ATOM 485 NZ LYS A 33 3.386 15.901 0.556 1.00 0.00 N ATOM 0 H LYS A 33 4.171 11.969 3.392 1.00 0.00 H new ATOM 0 HA LYS A 33 2.447 14.128 3.946 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.114 11.382 2.746 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.727 12.422 3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.178 13.182 1.375 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.680 12.572 0.700 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.054 14.747 0.564 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.751 14.630 2.287 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.144 16.503 2.164 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.279 15.229 2.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.028 16.697 0.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.941 15.067 0.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.735 16.157 -0.213 1.00 0.00 H new ATOM 499 N GLY A 34 2.293 11.536 5.916 1.00 0.00 N ATOM 500 CA GLY A 34 1.735 11.021 7.143 1.00 0.00 C ATOM 501 C GLY A 34 0.970 9.734 6.932 1.00 0.00 C ATOM 502 O GLY A 34 -0.005 9.459 7.632 1.00 0.00 O ATOM 0 H GLY A 34 3.091 11.010 5.560 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.538 10.850 7.860 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.071 11.768 7.579 1.00 0.00 H new ATOM 506 N PHE A 35 1.419 8.941 5.968 1.00 0.00 N ATOM 507 CA PHE A 35 0.782 7.673 5.671 1.00 0.00 C ATOM 508 C PHE A 35 1.542 6.525 6.316 1.00 0.00 C ATOM 509 O PHE A 35 2.745 6.619 6.559 1.00 0.00 O ATOM 510 CB PHE A 35 0.710 7.469 4.161 1.00 0.00 C ATOM 511 CG PHE A 35 0.170 8.659 3.425 1.00 0.00 C ATOM 512 CD1 PHE A 35 -0.764 9.499 4.011 1.00 0.00 C ATOM 513 CD2 PHE A 35 0.608 8.943 2.146 1.00 0.00 C ATOM 514 CE1 PHE A 35 -1.252 10.597 3.332 1.00 0.00 C ATOM 515 CE2 PHE A 35 0.126 10.041 1.461 1.00 0.00 C ATOM 516 CZ PHE A 35 -0.805 10.868 2.053 1.00 0.00 C ATOM 0 H PHE A 35 2.224 9.158 5.380 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.228 7.689 6.080 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.707 7.240 3.785 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.082 6.604 3.948 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.114 9.292 5.011 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.336 8.299 1.676 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.981 11.242 3.799 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.478 10.252 0.462 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.184 11.726 1.518 1.00 0.00 H new ATOM 526 N ASP A 36 0.834 5.438 6.581 1.00 0.00 N ATOM 527 CA ASP A 36 1.446 4.265 7.183 1.00 0.00 C ATOM 528 C ASP A 36 2.146 3.438 6.116 1.00 0.00 C ATOM 529 O ASP A 36 1.523 2.598 5.465 1.00 0.00 O ATOM 530 CB ASP A 36 0.389 3.418 7.897 1.00 0.00 C ATOM 531 CG ASP A 36 1.003 2.344 8.773 1.00 0.00 C ATOM 532 OD1 ASP A 36 1.940 2.664 9.533 1.00 0.00 O ATOM 533 OD2 ASP A 36 0.545 1.185 8.698 1.00 0.00 O ATOM 0 H ASP A 36 -0.163 5.344 6.389 1.00 0.00 H new ATOM 0 HA ASP A 36 2.182 4.593 7.917 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.239 4.066 8.508 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.260 2.951 7.156 1.00 0.00 H new ATOM 538 N SER A 37 3.436 3.694 5.914 1.00 0.00 N ATOM 539 CA SER A 37 4.194 2.982 4.898 1.00 0.00 C ATOM 540 C SER A 37 4.610 1.607 5.395 1.00 0.00 C ATOM 541 O SER A 37 4.697 1.365 6.599 1.00 0.00 O ATOM 542 CB SER A 37 5.431 3.790 4.498 1.00 0.00 C ATOM 543 OG SER A 37 6.315 3.947 5.594 1.00 0.00 O ATOM 0 H SER A 37 3.972 4.385 6.438 1.00 0.00 H new ATOM 0 HA SER A 37 3.554 2.853 4.025 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.947 3.289 3.679 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.126 4.770 4.130 1.00 0.00 H new ATOM 0 HG SER A 37 6.945 4.673 5.405 1.00 0.00 H new ATOM 549 N ILE A 38 4.834 0.703 4.451 1.00 0.00 N ATOM 550 CA ILE A 38 5.206 -0.664 4.776 1.00 0.00 C ATOM 551 C ILE A 38 5.928 -1.323 3.604 1.00 0.00 C ATOM 552 O ILE A 38 5.564 -1.118 2.446 1.00 0.00 O ATOM 553 CB ILE A 38 3.947 -1.483 5.136 1.00 0.00 C ATOM 554 CG1 ILE A 38 4.226 -2.990 5.077 1.00 0.00 C ATOM 555 CG2 ILE A 38 2.805 -1.107 4.200 1.00 0.00 C ATOM 556 CD1 ILE A 38 3.502 -3.781 6.144 1.00 0.00 C ATOM 0 H ILE A 38 4.764 0.894 3.452 1.00 0.00 H new ATOM 0 HA ILE A 38 5.881 -0.640 5.632 1.00 0.00 H new ATOM 0 HB ILE A 38 3.661 -1.245 6.161 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.935 -3.367 4.097 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.298 -3.157 5.177 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.918 -1.687 4.457 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.586 -0.044 4.302 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.093 -1.321 3.171 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.746 -4.838 6.042 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.811 -3.431 7.129 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.426 -3.644 6.031 1.00 0.00 H new ATOM 568 N VAL A 39 6.951 -2.113 3.909 1.00 0.00 N ATOM 569 CA VAL A 39 7.718 -2.798 2.878 1.00 0.00 C ATOM 570 C VAL A 39 7.627 -4.312 3.040 1.00 0.00 C ATOM 571 O VAL A 39 8.052 -4.859 4.056 1.00 0.00 O ATOM 572 CB VAL A 39 9.199 -2.376 2.910 1.00 0.00 C ATOM 573 CG1 VAL A 39 9.965 -3.017 1.763 1.00 0.00 C ATOM 574 CG2 VAL A 39 9.324 -0.861 2.864 1.00 0.00 C ATOM 0 H VAL A 39 7.268 -2.294 4.862 1.00 0.00 H new ATOM 0 HA VAL A 39 7.287 -2.513 1.918 1.00 0.00 H new ATOM 0 HB VAL A 39 9.636 -2.725 3.846 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.009 -2.706 1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.906 -4.102 1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.530 -2.703 0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.377 -0.582 2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.870 -0.486 1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.815 -0.428 3.725 1.00 0.00 H new ATOM 584 N LEU A 40 7.074 -4.991 2.033 1.00 0.00 N ATOM 585 CA LEU A 40 6.939 -6.442 2.083 1.00 0.00 C ATOM 586 C LEU A 40 7.780 -7.095 0.995 1.00 0.00 C ATOM 587 O LEU A 40 7.667 -6.758 -0.183 1.00 0.00 O ATOM 588 CB LEU A 40 5.465 -6.850 1.935 1.00 0.00 C ATOM 589 CG LEU A 40 5.199 -8.092 1.070 1.00 0.00 C ATOM 590 CD1 LEU A 40 5.977 -9.294 1.596 1.00 0.00 C ATOM 591 CD2 LEU A 40 3.709 -8.398 1.023 1.00 0.00 C ATOM 0 H LEU A 40 6.716 -4.560 1.181 1.00 0.00 H new ATOM 0 HA LEU A 40 7.299 -6.787 3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.055 -7.028 2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.916 -6.010 1.510 1.00 0.00 H new ATOM 0 HG LEU A 40 5.541 -7.883 0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.774 -10.162 0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.044 -9.074 1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.670 -9.507 2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.538 -9.280 0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.344 -8.585 2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.176 -7.548 0.596 1.00 0.00 H new ATOM 603 N LEU A 41 8.623 -8.036 1.399 1.00 0.00 N ATOM 604 CA LEU A 41 9.482 -8.740 0.461 1.00 0.00 C ATOM 605 C LEU A 41 8.775 -9.961 -0.120 1.00 0.00 C ATOM 606 O LEU A 41 8.524 -10.943 0.579 1.00 0.00 O ATOM 607 CB LEU A 41 10.787 -9.161 1.149 1.00 0.00 C ATOM 608 CG LEU A 41 11.511 -10.356 0.522 1.00 0.00 C ATOM 609 CD1 LEU A 41 11.683 -10.157 -0.977 1.00 0.00 C ATOM 610 CD2 LEU A 41 12.861 -10.570 1.190 1.00 0.00 C ATOM 0 H LEU A 41 8.729 -8.328 2.370 1.00 0.00 H new ATOM 0 HA LEU A 41 9.716 -8.061 -0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.466 -8.309 1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.568 -9.398 2.190 1.00 0.00 H new ATOM 0 HG LEU A 41 10.902 -11.246 0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.200 -11.018 -1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.704 -10.054 -1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 41 12.269 -9.256 -1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 41 13.362 -11.423 0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.475 -9.678 1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.715 -10.762 2.253 1.00 0.00 H new ATOM 622 N LYS A 42 8.496 -9.903 -1.416 1.00 0.00 N ATOM 623 CA LYS A 42 7.864 -11.010 -2.115 1.00 0.00 C ATOM 624 C LYS A 42 8.939 -11.843 -2.794 1.00 0.00 C ATOM 625 O LYS A 42 10.090 -11.419 -2.876 1.00 0.00 O ATOM 626 CB LYS A 42 6.837 -10.518 -3.138 1.00 0.00 C ATOM 627 CG LYS A 42 7.461 -9.972 -4.406 1.00 0.00 C ATOM 628 CD LYS A 42 7.533 -11.032 -5.496 1.00 0.00 C ATOM 629 CE LYS A 42 8.602 -10.710 -6.513 1.00 0.00 C ATOM 630 NZ LYS A 42 8.114 -10.888 -7.910 1.00 0.00 N ATOM 0 H LYS A 42 8.700 -9.096 -2.005 1.00 0.00 H new ATOM 0 HA LYS A 42 7.326 -11.621 -1.390 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.170 -11.341 -3.396 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.224 -9.742 -2.681 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.879 -9.122 -4.762 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.464 -9.603 -4.189 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.738 -12.004 -5.047 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.567 -11.109 -5.994 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.937 -9.682 -6.374 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.467 -11.352 -6.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.904 -10.756 -8.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.724 -11.846 -8.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.373 -10.187 -8.111 1.00 0.00 H new ATOM 644 N ASP A 43 8.575 -13.030 -3.249 1.00 0.00 N ATOM 645 CA ASP A 43 9.525 -13.926 -3.896 1.00 0.00 C ATOM 646 C ASP A 43 10.229 -13.278 -5.094 1.00 0.00 C ATOM 647 O ASP A 43 10.041 -13.707 -6.233 1.00 0.00 O ATOM 648 CB ASP A 43 8.819 -15.208 -4.339 1.00 0.00 C ATOM 649 CG ASP A 43 8.852 -16.284 -3.270 1.00 0.00 C ATOM 650 OD1 ASP A 43 8.334 -16.036 -2.163 1.00 0.00 O ATOM 651 OD2 ASP A 43 9.397 -17.374 -3.544 1.00 0.00 O ATOM 0 H ASP A 43 7.626 -13.398 -3.183 1.00 0.00 H new ATOM 0 HA ASP A 43 10.294 -14.160 -3.159 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.783 -14.981 -4.591 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.292 -15.585 -5.246 1.00 0.00 H new ATOM 656 N GLY A 44 11.066 -12.267 -4.839 1.00 0.00 N ATOM 657 CA GLY A 44 11.794 -11.629 -5.925 1.00 0.00 C ATOM 658 C GLY A 44 11.829 -10.106 -5.868 1.00 0.00 C ATOM 659 O GLY A 44 12.739 -9.495 -6.426 1.00 0.00 O ATOM 0 H GLY A 44 11.249 -11.885 -3.911 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.818 -12.002 -5.924 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.345 -11.932 -6.871 1.00 0.00 H new ATOM 663 N LEU A 45 10.844 -9.479 -5.223 1.00 0.00 N ATOM 664 CA LEU A 45 10.807 -8.013 -5.154 1.00 0.00 C ATOM 665 C LEU A 45 10.294 -7.493 -3.814 1.00 0.00 C ATOM 666 O LEU A 45 9.716 -8.233 -3.022 1.00 0.00 O ATOM 667 CB LEU A 45 9.918 -7.442 -6.265 1.00 0.00 C ATOM 668 CG LEU A 45 10.090 -8.071 -7.649 1.00 0.00 C ATOM 669 CD1 LEU A 45 9.072 -7.492 -8.621 1.00 0.00 C ATOM 670 CD2 LEU A 45 11.504 -7.850 -8.163 1.00 0.00 C ATOM 0 H LEU A 45 10.074 -9.950 -4.748 1.00 0.00 H new ATOM 0 HA LEU A 45 11.838 -7.683 -5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.876 -7.554 -5.964 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.113 -6.373 -6.346 1.00 0.00 H new ATOM 0 HG LEU A 45 9.920 -9.144 -7.566 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.205 -7.948 -9.602 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.065 -7.698 -8.259 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.216 -6.414 -8.699 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.608 -8.304 -9.148 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.703 -6.781 -8.233 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.216 -8.307 -7.476 1.00 0.00 H new ATOM 682 N TYR A 46 10.490 -6.194 -3.597 1.00 0.00 N ATOM 683 CA TYR A 46 10.033 -5.521 -2.385 1.00 0.00 C ATOM 684 C TYR A 46 8.926 -4.531 -2.735 1.00 0.00 C ATOM 685 O TYR A 46 9.037 -3.786 -3.709 1.00 0.00 O ATOM 686 CB TYR A 46 11.189 -4.779 -1.704 1.00 0.00 C ATOM 687 CG TYR A 46 12.128 -5.683 -0.940 1.00 0.00 C ATOM 688 CD1 TYR A 46 12.995 -6.532 -1.607 1.00 0.00 C ATOM 689 CD2 TYR A 46 12.143 -5.686 0.449 1.00 0.00 C ATOM 690 CE1 TYR A 46 13.855 -7.361 -0.916 1.00 0.00 C ATOM 691 CE2 TYR A 46 13.002 -6.511 1.151 1.00 0.00 C ATOM 692 CZ TYR A 46 13.854 -7.348 0.462 1.00 0.00 C ATOM 693 OH TYR A 46 14.709 -8.173 1.158 1.00 0.00 O ATOM 0 H TYR A 46 10.969 -5.580 -4.256 1.00 0.00 H new ATOM 0 HA TYR A 46 9.650 -6.274 -1.695 1.00 0.00 H new ATOM 0 HB2 TYR A 46 11.757 -4.237 -2.461 1.00 0.00 H new ATOM 0 HB3 TYR A 46 10.779 -4.036 -1.020 1.00 0.00 H new ATOM 0 HD1 TYR A 46 12.998 -6.546 -2.687 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.473 -5.033 0.989 1.00 0.00 H new ATOM 0 HE1 TYR A 46 14.525 -8.016 -1.452 1.00 0.00 H new ATOM 0 HE2 TYR A 46 13.006 -6.500 2.231 1.00 0.00 H new ATOM 0 HH TYR A 46 15.174 -8.766 0.531 1.00 0.00 H new ATOM 703 N LYS A 47 7.856 -4.531 -1.953 1.00 0.00 N ATOM 704 CA LYS A 47 6.732 -3.638 -2.204 1.00 0.00 C ATOM 705 C LYS A 47 6.641 -2.541 -1.161 1.00 0.00 C ATOM 706 O LYS A 47 7.043 -2.719 -0.016 1.00 0.00 O ATOM 707 CB LYS A 47 5.424 -4.426 -2.228 1.00 0.00 C ATOM 708 CG LYS A 47 5.093 -4.979 -3.595 1.00 0.00 C ATOM 709 CD LYS A 47 6.052 -6.087 -3.982 1.00 0.00 C ATOM 710 CE LYS A 47 5.617 -7.421 -3.416 1.00 0.00 C ATOM 711 NZ LYS A 47 4.778 -8.188 -4.378 1.00 0.00 N ATOM 0 H LYS A 47 7.742 -5.138 -1.141 1.00 0.00 H new ATOM 0 HA LYS A 47 6.899 -3.172 -3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.488 -5.248 -1.515 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.611 -3.780 -1.897 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.072 -5.360 -3.599 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.138 -4.180 -4.335 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.113 -6.154 -5.068 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.052 -5.846 -3.621 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.497 -8.008 -3.154 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.057 -7.259 -2.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.741 -9.186 -4.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.815 -7.794 -4.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.191 -8.120 -5.330 1.00 0.00 H new ATOM 725 N VAL A 48 6.100 -1.405 -1.578 1.00 0.00 N ATOM 726 CA VAL A 48 5.935 -0.265 -0.695 1.00 0.00 C ATOM 727 C VAL A 48 4.475 0.174 -0.654 1.00 0.00 C ATOM 728 O VAL A 48 3.981 0.821 -1.576 1.00 0.00 O ATOM 729 CB VAL A 48 6.826 0.907 -1.140 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.611 2.122 -0.249 1.00 0.00 C ATOM 731 CG2 VAL A 48 8.287 0.486 -1.130 1.00 0.00 C ATOM 0 H VAL A 48 5.767 -1.251 -2.530 1.00 0.00 H new ATOM 0 HA VAL A 48 6.239 -0.569 0.307 1.00 0.00 H new ATOM 0 HB VAL A 48 6.549 1.185 -2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.252 2.937 -0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.568 2.434 -0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.858 1.866 0.781 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.909 1.323 -1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.572 0.183 -0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.429 -0.351 -1.814 1.00 0.00 H new ATOM 741 N GLN A 49 3.790 -0.199 0.422 1.00 0.00 N ATOM 742 CA GLN A 49 2.381 0.135 0.591 1.00 0.00 C ATOM 743 C GLN A 49 2.203 1.228 1.641 1.00 0.00 C ATOM 744 O GLN A 49 2.892 1.247 2.660 1.00 0.00 O ATOM 745 CB GLN A 49 1.601 -1.126 0.990 1.00 0.00 C ATOM 746 CG GLN A 49 0.169 -0.868 1.438 1.00 0.00 C ATOM 747 CD GLN A 49 -0.182 -1.601 2.719 1.00 0.00 C ATOM 748 OE1 GLN A 49 -0.666 -1.003 3.678 1.00 0.00 O ATOM 749 NE2 GLN A 49 0.068 -2.907 2.739 1.00 0.00 N ATOM 0 H GLN A 49 4.190 -0.735 1.192 1.00 0.00 H new ATOM 0 HA GLN A 49 1.993 0.515 -0.354 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.585 -1.811 0.142 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.135 -1.628 1.796 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.025 0.202 1.585 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.516 -1.176 0.648 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.470 -3.362 1.920 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.143 -3.454 3.574 1.00 0.00 H new ATOM 758 N ILE A 50 1.261 2.133 1.387 1.00 0.00 N ATOM 759 CA ILE A 50 0.982 3.220 2.310 1.00 0.00 C ATOM 760 C ILE A 50 -0.519 3.393 2.523 1.00 0.00 C ATOM 761 O ILE A 50 -1.283 3.591 1.584 1.00 0.00 O ATOM 762 CB ILE A 50 1.617 4.537 1.836 1.00 0.00 C ATOM 763 CG1 ILE A 50 1.288 4.823 0.367 1.00 0.00 C ATOM 764 CG2 ILE A 50 3.122 4.459 2.043 1.00 0.00 C ATOM 765 CD1 ILE A 50 0.224 5.876 0.179 1.00 0.00 C ATOM 0 H ILE A 50 0.680 2.132 0.549 1.00 0.00 H new ATOM 0 HA ILE A 50 1.432 2.956 3.267 1.00 0.00 H new ATOM 0 HB ILE A 50 1.205 5.359 2.422 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.196 5.141 -0.145 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.961 3.899 -0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.584 5.389 1.710 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.336 4.306 3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.526 3.627 1.467 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.044 6.025 -0.886 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.698 5.552 0.661 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.557 6.813 0.626 1.00 0.00 H new ATOM 777 N GLY A 51 -0.918 3.308 3.785 1.00 0.00 N ATOM 778 CA GLY A 51 -2.315 3.450 4.152 1.00 0.00 C ATOM 779 C GLY A 51 -3.119 2.188 3.908 1.00 0.00 C ATOM 780 O GLY A 51 -3.452 1.868 2.767 1.00 0.00 O ATOM 0 H GLY A 51 -0.290 3.141 4.571 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.383 3.720 5.206 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.754 4.270 3.583 1.00 0.00 H new ATOM 784 N ALA A 52 -3.436 1.472 4.982 1.00 0.00 N ATOM 785 CA ALA A 52 -4.213 0.242 4.883 1.00 0.00 C ATOM 786 C ALA A 52 -5.435 0.304 5.789 1.00 0.00 C ATOM 787 O ALA A 52 -5.313 0.536 6.994 1.00 0.00 O ATOM 788 CB ALA A 52 -3.348 -0.959 5.238 1.00 0.00 C ATOM 0 H ALA A 52 -3.166 1.723 5.933 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.556 0.133 3.854 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.941 -1.870 5.160 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.504 -1.015 4.551 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.979 -0.853 6.258 1.00 0.00 H new ATOM 794 N PHE A 53 -6.614 0.110 5.210 1.00 0.00 N ATOM 795 CA PHE A 53 -7.854 0.159 5.978 1.00 0.00 C ATOM 796 C PHE A 53 -8.839 -0.910 5.514 1.00 0.00 C ATOM 797 O PHE A 53 -8.598 -1.612 4.530 1.00 0.00 O ATOM 798 CB PHE A 53 -8.500 1.543 5.858 1.00 0.00 C ATOM 799 CG PHE A 53 -7.509 2.668 5.766 1.00 0.00 C ATOM 800 CD1 PHE A 53 -6.784 2.874 4.601 1.00 0.00 C ATOM 801 CD2 PHE A 53 -7.304 3.520 6.838 1.00 0.00 C ATOM 802 CE1 PHE A 53 -5.872 3.909 4.512 1.00 0.00 C ATOM 803 CE2 PHE A 53 -6.393 4.557 6.755 1.00 0.00 C ATOM 804 CZ PHE A 53 -5.677 4.750 5.589 1.00 0.00 C ATOM 0 H PHE A 53 -6.738 -0.082 4.216 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.604 -0.035 7.021 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.139 1.560 4.975 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.145 1.709 6.721 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.934 2.219 3.755 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.863 3.373 7.750 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.313 4.059 3.601 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.242 5.214 7.599 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.965 5.559 5.520 1.00 0.00 H new ATOM 814 N SER A 54 -9.953 -1.022 6.230 1.00 0.00 N ATOM 815 CA SER A 54 -10.984 -1.997 5.901 1.00 0.00 C ATOM 816 C SER A 54 -11.920 -1.467 4.815 1.00 0.00 C ATOM 817 O SER A 54 -12.651 -2.233 4.189 1.00 0.00 O ATOM 818 CB SER A 54 -11.790 -2.359 7.150 1.00 0.00 C ATOM 819 OG SER A 54 -11.167 -3.404 7.876 1.00 0.00 O ATOM 0 H SER A 54 -10.164 -0.446 7.045 1.00 0.00 H new ATOM 0 HA SER A 54 -10.489 -2.891 5.521 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.892 -1.481 7.787 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.796 -2.663 6.861 1.00 0.00 H new ATOM 0 HG SER A 54 -11.702 -3.615 8.670 1.00 0.00 H new ATOM 825 N SER A 55 -11.891 -0.152 4.596 1.00 0.00 N ATOM 826 CA SER A 55 -12.741 0.469 3.583 1.00 0.00 C ATOM 827 C SER A 55 -11.907 1.048 2.443 1.00 0.00 C ATOM 828 O SER A 55 -10.942 1.777 2.671 1.00 0.00 O ATOM 829 CB SER A 55 -13.599 1.569 4.215 1.00 0.00 C ATOM 830 OG SER A 55 -14.960 1.424 3.851 1.00 0.00 O ATOM 0 H SER A 55 -11.292 0.499 5.103 1.00 0.00 H new ATOM 0 HA SER A 55 -13.392 -0.302 3.171 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.503 1.531 5.300 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.236 2.546 3.897 1.00 0.00 H new ATOM 0 HG SER A 55 -15.488 2.137 4.268 1.00 0.00 H new ATOM 836 N LYS A 56 -12.291 0.718 1.212 1.00 0.00 N ATOM 837 CA LYS A 56 -11.585 1.201 0.030 1.00 0.00 C ATOM 838 C LYS A 56 -11.528 2.726 0.007 1.00 0.00 C ATOM 839 O LYS A 56 -10.547 3.313 -0.449 1.00 0.00 O ATOM 840 CB LYS A 56 -12.259 0.687 -1.240 1.00 0.00 C ATOM 841 CG LYS A 56 -11.359 0.744 -2.463 1.00 0.00 C ATOM 842 CD LYS A 56 -11.666 1.957 -3.323 1.00 0.00 C ATOM 843 CE LYS A 56 -10.925 1.898 -4.651 1.00 0.00 C ATOM 844 NZ LYS A 56 -11.184 0.625 -5.377 1.00 0.00 N ATOM 0 H LYS A 56 -13.089 0.117 1.008 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.565 0.820 0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.580 -0.342 -1.081 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.157 1.275 -1.430 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.316 0.775 -2.148 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.487 -0.164 -3.053 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.739 2.013 -3.506 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.386 2.864 -2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.229 2.739 -5.274 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.855 2.003 -4.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.911 0.733 -6.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.626 -0.140 -4.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.196 0.391 -5.318 1.00 0.00 H new ATOM 858 N ASP A 57 -12.584 3.365 0.501 1.00 0.00 N ATOM 859 CA ASP A 57 -12.649 4.823 0.537 1.00 0.00 C ATOM 860 C ASP A 57 -11.410 5.411 1.206 1.00 0.00 C ATOM 861 O ASP A 57 -10.953 6.496 0.850 1.00 0.00 O ATOM 862 CB ASP A 57 -13.907 5.282 1.276 1.00 0.00 C ATOM 863 CG ASP A 57 -14.380 6.649 0.821 1.00 0.00 C ATOM 864 OD1 ASP A 57 -14.666 6.808 -0.384 1.00 0.00 O ATOM 865 OD2 ASP A 57 -14.466 7.560 1.672 1.00 0.00 O ATOM 0 H ASP A 57 -13.406 2.897 0.882 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.688 5.182 -0.491 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.703 4.554 1.118 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.706 5.308 2.347 1.00 0.00 H new ATOM 870 N ASN A 58 -10.869 4.680 2.176 1.00 0.00 N ATOM 871 CA ASN A 58 -9.680 5.124 2.895 1.00 0.00 C ATOM 872 C ASN A 58 -8.453 5.068 1.993 1.00 0.00 C ATOM 873 O ASN A 58 -7.687 6.027 1.905 1.00 0.00 O ATOM 874 CB ASN A 58 -9.457 4.261 4.139 1.00 0.00 C ATOM 875 CG ASN A 58 -10.653 4.268 5.070 1.00 0.00 C ATOM 876 OD1 ASN A 58 -11.785 4.035 4.647 1.00 0.00 O ATOM 877 ND2 ASN A 58 -10.408 4.537 6.347 1.00 0.00 N ATOM 0 H ASN A 58 -11.235 3.778 2.482 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.835 6.157 3.205 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.244 3.237 3.834 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.580 4.622 4.676 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.174 4.556 7.020 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.454 4.724 6.655 1.00 0.00 H new ATOM 884 N ALA A 59 -8.279 3.938 1.317 1.00 0.00 N ATOM 885 CA ALA A 59 -7.150 3.754 0.413 1.00 0.00 C ATOM 886 C ALA A 59 -7.188 4.775 -0.716 1.00 0.00 C ATOM 887 O ALA A 59 -6.153 5.303 -1.118 1.00 0.00 O ATOM 888 CB ALA A 59 -7.157 2.342 -0.147 1.00 0.00 C ATOM 0 H ALA A 59 -8.906 3.135 1.378 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.228 3.906 0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.310 2.214 -0.821 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.081 1.626 0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.085 2.172 -0.693 1.00 0.00 H new ATOM 894 N ASP A 60 -8.381 5.048 -1.232 1.00 0.00 N ATOM 895 CA ASP A 60 -8.540 6.007 -2.321 1.00 0.00 C ATOM 896 C ASP A 60 -8.050 7.392 -1.914 1.00 0.00 C ATOM 897 O ASP A 60 -7.245 8.006 -2.614 1.00 0.00 O ATOM 898 CB ASP A 60 -10.007 6.080 -2.751 1.00 0.00 C ATOM 899 CG ASP A 60 -10.364 5.024 -3.779 1.00 0.00 C ATOM 900 OD1 ASP A 60 -9.501 4.171 -4.080 1.00 0.00 O ATOM 901 OD2 ASP A 60 -11.506 5.049 -4.284 1.00 0.00 O ATOM 0 H ASP A 60 -9.251 4.620 -0.915 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.935 5.664 -3.160 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.645 5.961 -1.876 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.213 7.068 -3.163 1.00 0.00 H new ATOM 906 N THR A 61 -8.539 7.882 -0.777 1.00 0.00 N ATOM 907 CA THR A 61 -8.149 9.198 -0.282 1.00 0.00 C ATOM 908 C THR A 61 -6.643 9.272 -0.067 1.00 0.00 C ATOM 909 O THR A 61 -6.022 10.311 -0.291 1.00 0.00 O ATOM 910 CB THR A 61 -8.887 9.518 1.019 1.00 0.00 C ATOM 911 OG1 THR A 61 -8.648 10.857 1.416 1.00 0.00 O ATOM 912 CG2 THR A 61 -8.499 8.624 2.178 1.00 0.00 C ATOM 0 H THR A 61 -9.205 7.388 -0.183 1.00 0.00 H new ATOM 0 HA THR A 61 -8.424 9.939 -1.033 1.00 0.00 H new ATOM 0 HB THR A 61 -9.940 9.349 0.793 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.130 11.042 2.249 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.064 8.912 3.065 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.721 7.587 1.927 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.433 8.729 2.377 1.00 0.00 H new ATOM 920 N LEU A 62 -6.058 8.158 0.351 1.00 0.00 N ATOM 921 CA LEU A 62 -4.620 8.074 0.588 1.00 0.00 C ATOM 922 C LEU A 62 -3.878 8.122 -0.720 1.00 0.00 C ATOM 923 O LEU A 62 -2.924 8.880 -0.896 1.00 0.00 O ATOM 924 CB LEU A 62 -4.273 6.742 1.241 1.00 0.00 C ATOM 925 CG LEU A 62 -3.064 6.770 2.170 1.00 0.00 C ATOM 926 CD1 LEU A 62 -1.891 7.450 1.488 1.00 0.00 C ATOM 927 CD2 LEU A 62 -3.409 7.473 3.473 1.00 0.00 C ATOM 0 H LEU A 62 -6.562 7.290 0.535 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.339 8.909 1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.138 6.397 1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.091 6.007 0.457 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.780 5.744 2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.035 7.463 2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.630 6.903 0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.164 8.473 1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.534 7.483 4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.717 8.497 3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.223 6.943 3.968 1.00 0.00 H new ATOM 939 N ALA A 63 -4.314 7.262 -1.623 1.00 0.00 N ATOM 940 CA ALA A 63 -3.690 7.147 -2.911 1.00 0.00 C ATOM 941 C ALA A 63 -3.598 8.505 -3.598 1.00 0.00 C ATOM 942 O ALA A 63 -2.512 8.971 -3.941 1.00 0.00 O ATOM 943 CB ALA A 63 -4.440 6.150 -3.782 1.00 0.00 C ATOM 0 H ALA A 63 -5.104 6.633 -1.478 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.675 6.778 -2.764 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.952 6.077 -4.754 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.438 5.172 -3.300 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.468 6.486 -3.917 1.00 0.00 H new ATOM 949 N ALA A 64 -4.755 9.137 -3.789 1.00 0.00 N ATOM 950 CA ALA A 64 -4.821 10.446 -4.424 1.00 0.00 C ATOM 951 C ALA A 64 -3.936 11.445 -3.689 1.00 0.00 C ATOM 952 O ALA A 64 -3.317 12.312 -4.303 1.00 0.00 O ATOM 953 CB ALA A 64 -6.257 10.942 -4.472 1.00 0.00 C ATOM 0 H ALA A 64 -5.661 8.759 -3.511 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.454 10.350 -5.446 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.288 11.921 -4.950 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.865 10.241 -5.043 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.649 11.020 -3.458 1.00 0.00 H new ATOM 959 N ARG A 65 -3.871 11.303 -2.368 1.00 0.00 N ATOM 960 CA ARG A 65 -3.047 12.178 -1.549 1.00 0.00 C ATOM 961 C ARG A 65 -1.580 11.990 -1.911 1.00 0.00 C ATOM 962 O ARG A 65 -0.823 12.956 -2.013 1.00 0.00 O ATOM 963 CB ARG A 65 -3.269 11.870 -0.068 1.00 0.00 C ATOM 964 CG ARG A 65 -3.148 13.082 0.836 1.00 0.00 C ATOM 965 CD ARG A 65 -3.755 12.813 2.203 1.00 0.00 C ATOM 966 NE ARG A 65 -4.740 13.826 2.574 1.00 0.00 N ATOM 967 CZ ARG A 65 -4.425 15.043 3.014 1.00 0.00 C ATOM 968 NH1 ARG A 65 -3.153 15.400 3.144 1.00 0.00 N ATOM 969 NH2 ARG A 65 -5.383 15.903 3.326 1.00 0.00 N ATOM 0 H ARG A 65 -4.380 10.590 -1.845 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.328 13.214 -1.737 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.259 11.433 0.058 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.546 11.119 0.249 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.098 13.351 0.949 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.648 13.934 0.375 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.228 11.831 2.203 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.964 12.786 2.952 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.728 13.587 2.491 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.412 14.741 2.906 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.917 16.333 3.481 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.362 15.633 3.229 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.142 16.835 3.663 1.00 0.00 H new ATOM 983 N ALA A 66 -1.194 10.736 -2.126 1.00 0.00 N ATOM 984 CA ALA A 66 0.172 10.418 -2.503 1.00 0.00 C ATOM 985 C ALA A 66 0.476 11.025 -3.860 1.00 0.00 C ATOM 986 O ALA A 66 1.557 11.569 -4.080 1.00 0.00 O ATOM 987 CB ALA A 66 0.394 8.915 -2.508 1.00 0.00 C ATOM 0 H ALA A 66 -1.810 9.927 -2.045 1.00 0.00 H new ATOM 0 HA ALA A 66 0.856 10.844 -1.769 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.424 8.700 -2.793 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.202 8.516 -1.512 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.285 8.449 -3.222 1.00 0.00 H new ATOM 993 N LYS A 67 -0.499 10.956 -4.761 1.00 0.00 N ATOM 994 CA LYS A 67 -0.345 11.525 -6.087 1.00 0.00 C ATOM 995 C LYS A 67 -0.126 13.026 -5.979 1.00 0.00 C ATOM 996 O LYS A 67 0.790 13.580 -6.585 1.00 0.00 O ATOM 997 CB LYS A 67 -1.573 11.228 -6.942 1.00 0.00 C ATOM 998 CG LYS A 67 -1.638 9.788 -7.419 1.00 0.00 C ATOM 999 CD LYS A 67 -0.502 9.464 -8.376 1.00 0.00 C ATOM 1000 CE LYS A 67 -0.641 10.220 -9.687 1.00 0.00 C ATOM 1001 NZ LYS A 67 -0.985 9.313 -10.817 1.00 0.00 N ATOM 0 H LYS A 67 -1.402 10.511 -4.593 1.00 0.00 H new ATOM 0 HA LYS A 67 0.523 11.072 -6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.471 11.454 -6.367 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.574 11.891 -7.807 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.594 9.117 -6.561 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -2.593 9.611 -7.914 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.450 9.716 -7.909 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.487 8.392 -8.573 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.413 10.983 -9.586 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.292 10.738 -9.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.071 9.867 -11.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.236 8.600 -10.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.888 8.838 -10.618 1.00 0.00 H new ATOM 1015 N ASN A 68 -0.961 13.670 -5.174 1.00 0.00 N ATOM 1016 CA ASN A 68 -0.853 15.103 -4.945 1.00 0.00 C ATOM 1017 C ASN A 68 0.416 15.406 -4.155 1.00 0.00 C ATOM 1018 O ASN A 68 0.974 16.499 -4.241 1.00 0.00 O ATOM 1019 CB ASN A 68 -2.079 15.610 -4.183 1.00 0.00 C ATOM 1020 CG ASN A 68 -2.306 17.095 -4.371 1.00 0.00 C ATOM 1021 OD1 ASN A 68 -3.279 17.512 -5.000 1.00 0.00 O ATOM 1022 ND2 ASN A 68 -1.407 17.906 -3.824 1.00 0.00 N ATOM 0 H ASN A 68 -1.723 13.220 -4.667 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.804 15.613 -5.907 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.962 15.066 -4.518 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.957 15.396 -3.121 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.508 18.917 -3.917 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -0.615 17.518 -3.311 1.00 0.00 H new ATOM 1029 N ALA A 69 0.859 14.416 -3.381 1.00 0.00 N ATOM 1030 CA ALA A 69 2.057 14.545 -2.565 1.00 0.00 C ATOM 1031 C ALA A 69 3.325 14.424 -3.406 1.00 0.00 C ATOM 1032 O ALA A 69 4.395 14.877 -2.999 1.00 0.00 O ATOM 1033 CB ALA A 69 2.054 13.480 -1.479 1.00 0.00 C ATOM 0 H ALA A 69 0.398 13.509 -3.305 1.00 0.00 H new ATOM 0 HA ALA A 69 2.051 15.536 -2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.952 13.579 -0.870 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.173 13.605 -0.850 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.035 12.492 -1.939 1.00 0.00 H new ATOM 1039 N GLY A 70 3.201 13.798 -4.570 1.00 0.00 N ATOM 1040 CA GLY A 70 4.346 13.614 -5.441 1.00 0.00 C ATOM 1041 C GLY A 70 4.742 12.157 -5.531 1.00 0.00 C ATOM 1042 O GLY A 70 5.889 11.830 -5.836 1.00 0.00 O ATOM 0 H GLY A 70 2.326 13.414 -4.927 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.112 13.991 -6.437 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.187 14.199 -5.068 1.00 0.00 H new ATOM 1046 N PHE A 71 3.784 11.279 -5.250 1.00 0.00 N ATOM 1047 CA PHE A 71 4.012 9.846 -5.279 1.00 0.00 C ATOM 1048 C PHE A 71 2.918 9.171 -6.095 1.00 0.00 C ATOM 1049 O PHE A 71 1.785 9.639 -6.125 1.00 0.00 O ATOM 1050 CB PHE A 71 4.008 9.294 -3.853 1.00 0.00 C ATOM 1051 CG PHE A 71 4.508 10.273 -2.823 1.00 0.00 C ATOM 1052 CD1 PHE A 71 5.725 10.914 -2.992 1.00 0.00 C ATOM 1053 CD2 PHE A 71 3.755 10.555 -1.695 1.00 0.00 C ATOM 1054 CE1 PHE A 71 6.181 11.821 -2.052 1.00 0.00 C ATOM 1055 CE2 PHE A 71 4.206 11.460 -0.751 1.00 0.00 C ATOM 1056 CZ PHE A 71 5.422 12.095 -0.931 1.00 0.00 C ATOM 0 H PHE A 71 2.832 11.544 -4.997 1.00 0.00 H new ATOM 0 HA PHE A 71 4.980 9.644 -5.738 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.993 8.993 -3.592 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.626 8.397 -3.819 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.323 10.703 -3.866 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.805 10.063 -1.551 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.131 12.315 -2.195 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.610 11.670 0.125 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.777 12.803 -0.197 1.00 0.00 H new ATOM 1066 N ASP A 72 3.247 8.067 -6.750 1.00 0.00 N ATOM 1067 CA ASP A 72 2.264 7.351 -7.553 1.00 0.00 C ATOM 1068 C ASP A 72 1.576 6.270 -6.729 1.00 0.00 C ATOM 1069 O ASP A 72 1.856 5.083 -6.898 1.00 0.00 O ATOM 1070 CB ASP A 72 2.933 6.729 -8.782 1.00 0.00 C ATOM 1071 CG ASP A 72 1.934 6.369 -9.863 1.00 0.00 C ATOM 1072 OD1 ASP A 72 0.969 5.637 -9.559 1.00 0.00 O ATOM 1073 OD2 ASP A 72 2.115 6.819 -11.013 1.00 0.00 O ATOM 0 H ASP A 72 4.178 7.650 -6.743 1.00 0.00 H new ATOM 0 HA ASP A 72 1.510 8.065 -7.884 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.666 7.428 -9.186 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.478 5.834 -8.482 1.00 0.00 H new ATOM 1078 N ALA A 73 0.671 6.679 -5.840 1.00 0.00 N ATOM 1079 CA ALA A 73 -0.047 5.726 -4.999 1.00 0.00 C ATOM 1080 C ALA A 73 -1.298 5.191 -5.686 1.00 0.00 C ATOM 1081 O ALA A 73 -2.003 5.921 -6.383 1.00 0.00 O ATOM 1082 CB ALA A 73 -0.427 6.367 -3.675 1.00 0.00 C ATOM 0 H ALA A 73 0.420 7.656 -5.685 1.00 0.00 H new ATOM 0 HA ALA A 73 0.625 4.887 -4.819 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.962 5.643 -3.060 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.475 6.689 -3.155 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.067 7.230 -3.859 1.00 0.00 H new ATOM 1088 N ILE A 74 -1.573 3.915 -5.455 1.00 0.00 N ATOM 1089 CA ILE A 74 -2.745 3.260 -6.019 1.00 0.00 C ATOM 1090 C ILE A 74 -3.413 2.399 -4.956 1.00 0.00 C ATOM 1091 O ILE A 74 -2.802 2.084 -3.940 1.00 0.00 O ATOM 1092 CB ILE A 74 -2.380 2.382 -7.234 1.00 0.00 C ATOM 1093 CG1 ILE A 74 -1.412 1.270 -6.819 1.00 0.00 C ATOM 1094 CG2 ILE A 74 -1.777 3.234 -8.340 1.00 0.00 C ATOM 1095 CD1 ILE A 74 -2.048 -0.103 -6.791 1.00 0.00 C ATOM 0 H ILE A 74 -0.994 3.308 -4.875 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.429 4.038 -6.358 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.290 1.919 -7.615 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.568 1.257 -7.509 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.012 1.497 -5.831 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.525 2.601 -9.190 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.498 3.989 -8.652 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.875 3.723 -7.972 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.306 -0.842 -6.489 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.874 -0.107 -6.080 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.423 -0.351 -7.784 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.661 2.016 -5.186 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.380 1.187 -4.225 1.00 0.00 C ATOM 1109 C VAL A 75 -5.623 -0.208 -4.782 1.00 0.00 C ATOM 1110 O VAL A 75 -5.993 -0.370 -5.945 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.722 1.823 -3.815 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.501 0.895 -2.888 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.485 3.170 -3.148 1.00 0.00 C ATOM 0 H VAL A 75 -5.194 2.262 -6.020 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.751 1.112 -3.338 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.317 1.980 -4.714 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.445 1.365 -2.612 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.701 -0.047 -3.400 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.915 0.702 -1.989 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.442 3.608 -2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.870 3.032 -2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.974 3.835 -3.844 1.00 0.00 H new ATOM 1123 N ILE A 76 -5.410 -1.214 -3.941 1.00 0.00 N ATOM 1124 CA ILE A 76 -5.601 -2.596 -4.346 1.00 0.00 C ATOM 1125 C ILE A 76 -6.236 -3.415 -3.225 1.00 0.00 C ATOM 1126 O ILE A 76 -5.897 -3.251 -2.049 1.00 0.00 O ATOM 1127 CB ILE A 76 -4.264 -3.246 -4.754 1.00 0.00 C ATOM 1128 CG1 ILE A 76 -4.489 -4.686 -5.224 1.00 0.00 C ATOM 1129 CG2 ILE A 76 -3.280 -3.208 -3.594 1.00 0.00 C ATOM 1130 CD1 ILE A 76 -3.215 -5.400 -5.621 1.00 0.00 C ATOM 0 H ILE A 76 -5.105 -1.095 -2.975 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.271 -2.588 -5.206 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.841 -2.678 -5.583 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -4.977 -5.247 -4.427 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.172 -4.680 -6.074 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.341 -3.671 -3.898 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.098 -2.173 -3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.695 -3.753 -2.746 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.451 -6.414 -5.943 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.736 -4.862 -6.439 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.538 -5.439 -4.767 1.00 0.00 H new ATOM 1142 N LEU A 77 -7.158 -4.295 -3.605 1.00 0.00 N ATOM 1143 CA LEU A 77 -7.844 -5.148 -2.649 1.00 0.00 C ATOM 1144 C LEU A 77 -7.068 -6.450 -2.454 1.00 0.00 C ATOM 1145 O LEU A 77 -6.883 -7.221 -3.395 1.00 0.00 O ATOM 1146 CB LEU A 77 -9.268 -5.436 -3.139 1.00 0.00 C ATOM 1147 CG LEU A 77 -9.953 -6.640 -2.491 1.00 0.00 C ATOM 1148 CD1 LEU A 77 -10.137 -6.414 -0.998 1.00 0.00 C ATOM 1149 CD2 LEU A 77 -11.291 -6.914 -3.163 1.00 0.00 C ATOM 0 H LEU A 77 -7.446 -4.434 -4.574 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.902 -4.636 -1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.881 -4.552 -2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.238 -5.593 -4.217 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.315 -7.514 -2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -10.626 -7.282 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.164 -6.268 -0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -10.753 -5.529 -0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.766 -7.774 -2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -11.936 -6.041 -3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -11.131 -7.124 -4.221 1.00 0.00 H new ATOM 1161 N GLU A 78 -6.609 -6.682 -1.229 1.00 0.00 N ATOM 1162 CA GLU A 78 -5.847 -7.888 -0.917 1.00 0.00 C ATOM 1163 C GLU A 78 -6.768 -9.032 -0.513 1.00 0.00 C ATOM 1164 O GLU A 78 -7.241 -9.088 0.622 1.00 0.00 O ATOM 1165 CB GLU A 78 -4.844 -7.604 0.204 1.00 0.00 C ATOM 1166 CG GLU A 78 -3.487 -7.135 -0.296 1.00 0.00 C ATOM 1167 CD GLU A 78 -2.430 -8.219 -0.217 1.00 0.00 C ATOM 1168 OE1 GLU A 78 -1.882 -8.434 0.884 1.00 0.00 O ATOM 1169 OE2 GLU A 78 -2.149 -8.853 -1.257 1.00 0.00 O ATOM 0 H GLU A 78 -6.750 -6.054 -0.438 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.307 -8.186 -1.815 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.259 -6.845 0.868 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.710 -8.508 0.798 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.581 -6.799 -1.329 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.165 -6.275 0.291 1.00 0.00 H new ATOM 1176 N SER A 79 -7.014 -9.944 -1.449 1.00 0.00 N ATOM 1177 CA SER A 79 -7.878 -11.090 -1.192 1.00 0.00 C ATOM 1178 C SER A 79 -7.053 -12.332 -0.873 1.00 0.00 C ATOM 1179 O SER A 79 -7.377 -13.020 0.117 1.00 0.00 O ATOM 1180 CB SER A 79 -8.776 -11.358 -2.402 1.00 0.00 C ATOM 1181 OG SER A 79 -9.722 -10.316 -2.574 1.00 0.00 O ATOM 1182 OXT SER A 79 -6.086 -12.607 -1.616 1.00 0.00 O ATOM 0 H SER A 79 -6.627 -9.911 -2.392 1.00 0.00 H new ATOM 0 HA SER A 79 -8.501 -10.858 -0.328 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.165 -11.451 -3.300 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.295 -12.307 -2.271 1.00 0.00 H new ATOM 0 HG SER A 79 -10.283 -10.509 -3.354 1.00 0.00 H new TER 1188 SER A 79