USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 878 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 6 LYS NZ :NH3+ -140:sc= -1.25! (180deg=-3.95!) USER MOD Set 1.2: A 25 SER OG : rot -4:sc= 0.981 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 150:sc= 1.19 (180deg=-0.226!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 163:sc= 1.09 (180deg=0.836) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 35 HIS : no HE2:sc= -1.84 K(o=-1.8,f=-4.5!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 1.06 K(o=1.1,f=-0.12) USER MOD Single : A 43 GLN : amide:sc= -3.82! C(o=-3.8!,f=-2.7!) USER MOD Single : A 45 THR OG1 : rot 83:sc= 0.982 USER MOD Single : A 48 LYS NZ :NH3+ -154:sc= 1.12 (180deg=0.628) USER MOD Single : A 53 GLN : amide:sc= -2.42! X(o=-2.4!,f=-2.1) USER MOD Single : A 55 ASN : amide:sc= -1.29! K(o=-1.3!,f=-0.73) USER MOD Single : A 71 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0466) USER MOD Single : A 75 SER OG : rot -170:sc= -0.0693 USER MOD Single : A 83 HIS : no HE2:sc= 0.318 K(o=0.32,f=-4.7!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -93:sc= 0.0873 USER MOD Single : A 94 THR OG1 : rot -42:sc= -0.626 USER MOD Single : A 108 GLN : amide:sc= -6.33! C(o=-6.3!,f=-7.4!) USER MOD Single : A 112 HIS : no HE2:sc= 0.655 K(o=0.65,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.656 -4.040 14.788 1.00 0.00 N ATOM 2 CA MET A 1 7.930 -4.251 14.046 1.00 0.00 C ATOM 3 C MET A 1 7.763 -4.051 12.528 1.00 0.00 C ATOM 4 O MET A 1 8.193 -3.041 11.976 1.00 0.00 O ATOM 5 CB MET A 1 8.466 -5.662 14.320 1.00 0.00 C ATOM 6 CG MET A 1 9.759 -6.000 13.584 1.00 0.00 C ATOM 7 SD MET A 1 10.315 -7.683 13.918 1.00 0.00 S ATOM 8 CE MET A 1 11.759 -7.782 12.861 1.00 0.00 C ATOM 0 H1 MET A 1 6.649 -4.635 15.641 1.00 0.00 H new ATOM 0 H2 MET A 1 6.576 -3.040 15.062 1.00 0.00 H new ATOM 0 H3 MET A 1 5.853 -4.298 14.179 1.00 0.00 H new ATOM 0 HA MET A 1 8.639 -3.503 14.402 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.633 -5.772 15.391 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.703 -6.388 14.040 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.608 -5.876 12.512 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.538 -5.297 13.880 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.214 -8.768 12.958 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.463 -7.619 11.825 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.479 -7.019 13.157 1.00 0.00 H new ATOM 20 N THR A 2 7.123 -5.014 11.861 1.00 0.00 N ATOM 21 CA THR A 2 7.071 -5.033 10.391 1.00 0.00 C ATOM 22 C THR A 2 5.900 -4.212 9.834 1.00 0.00 C ATOM 23 O THR A 2 4.765 -4.694 9.747 1.00 0.00 O ATOM 24 CB THR A 2 6.981 -6.480 9.846 1.00 0.00 C ATOM 25 OG1 THR A 2 8.068 -7.268 10.358 1.00 0.00 O ATOM 26 CG2 THR A 2 7.015 -6.502 8.319 1.00 0.00 C ATOM 0 H THR A 2 6.635 -5.789 12.310 1.00 0.00 H new ATOM 0 HA THR A 2 8.001 -4.576 10.054 1.00 0.00 H new ATOM 0 HB THR A 2 6.032 -6.901 10.177 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.002 -8.182 10.010 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.950 -7.532 7.968 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.172 -5.932 7.928 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.947 -6.058 7.969 1.00 0.00 H new ATOM 34 N LEU A 3 6.185 -2.965 9.465 1.00 0.00 N ATOM 35 CA LEU A 3 5.196 -2.093 8.822 1.00 0.00 C ATOM 36 C LEU A 3 5.267 -2.227 7.294 1.00 0.00 C ATOM 37 O LEU A 3 6.308 -1.962 6.689 1.00 0.00 O ATOM 38 CB LEU A 3 5.436 -0.626 9.217 1.00 0.00 C ATOM 39 CG LEU A 3 5.395 -0.327 10.724 1.00 0.00 C ATOM 40 CD1 LEU A 3 5.699 1.146 10.990 1.00 0.00 C ATOM 41 CD2 LEU A 3 4.043 -0.715 11.318 1.00 0.00 C ATOM 0 H LEU A 3 7.098 -2.531 9.600 1.00 0.00 H new ATOM 0 HA LEU A 3 4.207 -2.400 9.161 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.408 -0.319 8.831 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.687 -0.008 8.722 1.00 0.00 H new ATOM 0 HG LEU A 3 6.164 -0.928 11.210 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.665 1.337 12.063 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.692 1.387 10.610 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.958 1.767 10.487 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.038 -0.494 12.385 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.253 -0.147 10.826 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.872 -1.781 11.167 1.00 0.00 H new ATOM 53 N ILE A 4 4.173 -2.655 6.674 1.00 0.00 N ATOM 54 CA ILE A 4 4.105 -2.742 5.213 1.00 0.00 C ATOM 55 C ILE A 4 3.500 -1.463 4.617 1.00 0.00 C ATOM 56 O ILE A 4 2.631 -0.832 5.224 1.00 0.00 O ATOM 57 CB ILE A 4 3.291 -3.972 4.740 1.00 0.00 C ATOM 58 CG1 ILE A 4 1.860 -3.939 5.308 1.00 0.00 C ATOM 59 CG2 ILE A 4 4.006 -5.266 5.134 1.00 0.00 C ATOM 60 CD1 ILE A 4 1.004 -5.120 4.891 1.00 0.00 C ATOM 0 H ILE A 4 3.322 -2.947 7.155 1.00 0.00 H new ATOM 0 HA ILE A 4 5.129 -2.857 4.857 1.00 0.00 H new ATOM 0 HB ILE A 4 3.217 -3.937 3.653 1.00 0.00 H new ATOM 0 HG12 ILE A 4 1.913 -3.908 6.396 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.373 -3.019 4.986 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.422 -6.122 4.795 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.992 -5.293 4.670 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.114 -5.307 6.218 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.012 -5.024 5.331 1.00 0.00 H new ATOM 0 HD12 ILE A 4 0.918 -5.142 3.805 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.466 -6.045 5.237 1.00 0.00 H new ATOM 72 N TYR A 5 3.967 -1.082 3.430 1.00 0.00 N ATOM 73 CA TYR A 5 3.557 0.182 2.809 1.00 0.00 C ATOM 74 C TYR A 5 3.012 -0.020 1.388 1.00 0.00 C ATOM 75 O TYR A 5 3.607 -0.730 0.571 1.00 0.00 O ATOM 76 CB TYR A 5 4.746 1.151 2.767 1.00 0.00 C ATOM 77 CG TYR A 5 5.306 1.498 4.136 1.00 0.00 C ATOM 78 CD1 TYR A 5 6.287 0.710 4.728 1.00 0.00 C ATOM 79 CD2 TYR A 5 4.857 2.616 4.831 1.00 0.00 C ATOM 80 CE1 TYR A 5 6.800 1.024 5.973 1.00 0.00 C ATOM 81 CE2 TYR A 5 5.365 2.935 6.076 1.00 0.00 C ATOM 82 CZ TYR A 5 6.337 2.137 6.641 1.00 0.00 C ATOM 83 OH TYR A 5 6.849 2.452 7.880 1.00 0.00 O ATOM 0 H TYR A 5 4.629 -1.627 2.877 1.00 0.00 H new ATOM 0 HA TYR A 5 2.754 0.598 3.417 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.539 0.712 2.162 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.436 2.069 2.269 1.00 0.00 H new ATOM 0 HD1 TYR A 5 6.654 -0.162 4.207 1.00 0.00 H new ATOM 0 HD2 TYR A 5 4.098 3.246 4.390 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.560 0.400 6.420 1.00 0.00 H new ATOM 0 HE2 TYR A 5 5.002 3.805 6.604 1.00 0.00 H new ATOM 0 HH TYR A 5 6.418 3.266 8.215 1.00 0.00 H new ATOM 93 N LYS A 6 1.876 0.616 1.102 1.00 0.00 N ATOM 94 CA LYS A 6 1.300 0.619 -0.251 1.00 0.00 C ATOM 95 C LYS A 6 0.942 2.046 -0.691 1.00 0.00 C ATOM 96 O LYS A 6 0.094 2.695 -0.079 1.00 0.00 O ATOM 97 CB LYS A 6 0.035 -0.255 -0.319 1.00 0.00 C ATOM 98 CG LYS A 6 -0.593 -0.313 -1.716 1.00 0.00 C ATOM 99 CD LYS A 6 -2.001 -0.903 -1.684 1.00 0.00 C ATOM 100 CE LYS A 6 -2.608 -1.028 -3.080 1.00 0.00 C ATOM 101 NZ LYS A 6 -2.596 0.258 -3.833 1.00 0.00 N ATOM 0 H LYS A 6 1.332 1.138 1.789 1.00 0.00 H new ATOM 0 HA LYS A 6 2.055 0.210 -0.922 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.284 -1.267 0.001 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.702 0.130 0.386 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.630 0.691 -2.139 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.037 -0.913 -2.373 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.970 -1.886 -1.214 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.642 -0.274 -1.066 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.056 -1.780 -3.645 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.635 -1.384 -2.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.487 0.360 -4.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.495 1.050 -3.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.798 0.263 -4.500 1.00 0.00 H new ATOM 115 N ILE A 7 1.588 2.527 -1.750 1.00 0.00 N ATOM 116 CA ILE A 7 1.231 3.822 -2.347 1.00 0.00 C ATOM 117 C ILE A 7 0.066 3.675 -3.338 1.00 0.00 C ATOM 118 O ILE A 7 -0.013 2.694 -4.082 1.00 0.00 O ATOM 119 CB ILE A 7 2.444 4.515 -3.050 1.00 0.00 C ATOM 120 CG1 ILE A 7 3.471 3.491 -3.586 1.00 0.00 C ATOM 121 CG2 ILE A 7 3.119 5.504 -2.102 1.00 0.00 C ATOM 122 CD1 ILE A 7 2.955 2.598 -4.697 1.00 0.00 C ATOM 0 H ILE A 7 2.358 2.046 -2.214 1.00 0.00 H new ATOM 0 HA ILE A 7 0.919 4.462 -1.522 1.00 0.00 H new ATOM 0 HB ILE A 7 2.051 5.059 -3.909 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.346 4.030 -3.949 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.804 2.864 -2.759 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.961 5.977 -2.608 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.401 6.267 -1.801 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.477 4.975 -1.219 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.743 1.913 -5.009 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.100 2.027 -4.337 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.650 3.211 -5.545 1.00 0.00 H new ATOM 134 N LEU A 8 -0.859 4.630 -3.315 1.00 0.00 N ATOM 135 CA LEU A 8 -1.992 4.625 -4.248 1.00 0.00 C ATOM 136 C LEU A 8 -2.717 5.976 -4.266 1.00 0.00 C ATOM 137 O LEU A 8 -2.647 6.743 -3.309 1.00 0.00 O ATOM 138 CB LEU A 8 -2.995 3.505 -3.897 1.00 0.00 C ATOM 139 CG LEU A 8 -3.777 3.671 -2.574 1.00 0.00 C ATOM 140 CD1 LEU A 8 -4.861 2.603 -2.447 1.00 0.00 C ATOM 141 CD2 LEU A 8 -2.842 3.612 -1.369 1.00 0.00 C ATOM 0 H LEU A 8 -0.851 5.416 -2.665 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.583 4.439 -5.241 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.715 3.424 -4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.452 2.561 -3.856 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.251 4.652 -2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.398 2.740 -1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.558 2.691 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.402 1.615 -2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.421 3.732 -0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.331 2.649 -1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.106 4.413 -1.440 1.00 0.00 H new ATOM 153 N SER A 9 -3.411 6.258 -5.364 1.00 0.00 N ATOM 154 CA SER A 9 -4.228 7.471 -5.475 1.00 0.00 C ATOM 155 C SER A 9 -5.456 7.381 -4.559 1.00 0.00 C ATOM 156 O SER A 9 -6.079 6.321 -4.453 1.00 0.00 O ATOM 157 CB SER A 9 -4.680 7.682 -6.928 1.00 0.00 C ATOM 158 OG SER A 9 -3.568 7.752 -7.810 1.00 0.00 O ATOM 0 H SER A 9 -3.427 5.665 -6.193 1.00 0.00 H new ATOM 0 HA SER A 9 -3.618 8.320 -5.165 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.335 6.865 -7.230 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.262 8.601 -7.000 1.00 0.00 H new ATOM 0 HG SER A 9 -3.886 7.885 -8.727 1.00 0.00 H new ATOM 164 N ARG A 10 -5.808 8.495 -3.911 1.00 0.00 N ATOM 165 CA ARG A 10 -6.938 8.531 -2.969 1.00 0.00 C ATOM 166 C ARG A 10 -8.210 7.918 -3.577 1.00 0.00 C ATOM 167 O ARG A 10 -8.965 7.232 -2.887 1.00 0.00 O ATOM 168 CB ARG A 10 -7.220 9.973 -2.514 1.00 0.00 C ATOM 169 CG ARG A 10 -8.268 10.074 -1.405 1.00 0.00 C ATOM 170 CD ARG A 10 -7.773 9.444 -0.106 1.00 0.00 C ATOM 171 NE ARG A 10 -8.825 9.353 0.899 1.00 0.00 N ATOM 172 CZ ARG A 10 -8.614 9.204 2.176 1.00 0.00 C ATOM 173 NH1 ARG A 10 -7.411 9.182 2.651 1.00 0.00 N ATOM 174 NH2 ARG A 10 -9.617 9.080 2.980 1.00 0.00 N ATOM 0 H ARG A 10 -5.327 9.388 -4.020 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.654 7.930 -2.105 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.290 10.423 -2.165 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.554 10.556 -3.372 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.515 11.121 -1.231 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.185 9.579 -1.724 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.384 8.447 -0.313 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.946 10.033 0.289 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.792 9.410 0.581 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.613 9.282 2.024 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.260 9.065 3.653 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.569 9.099 2.614 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.457 8.963 3.981 1.00 0.00 H new ATOM 188 N ALA A 11 -8.435 8.171 -4.868 1.00 0.00 N ATOM 189 CA ALA A 11 -9.568 7.584 -5.595 1.00 0.00 C ATOM 190 C ALA A 11 -9.636 6.057 -5.418 1.00 0.00 C ATOM 191 O ALA A 11 -10.703 5.504 -5.144 1.00 0.00 O ATOM 192 CB ALA A 11 -9.479 7.942 -7.074 1.00 0.00 C ATOM 0 H ALA A 11 -7.846 8.781 -5.435 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.483 8.001 -5.175 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.323 7.503 -7.606 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.502 9.026 -7.188 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.548 7.554 -7.487 1.00 0.00 H new ATOM 198 N GLU A 12 -8.491 5.384 -5.567 1.00 0.00 N ATOM 199 CA GLU A 12 -8.421 3.925 -5.401 1.00 0.00 C ATOM 200 C GLU A 12 -8.685 3.519 -3.943 1.00 0.00 C ATOM 201 O GLU A 12 -9.430 2.574 -3.676 1.00 0.00 O ATOM 202 CB GLU A 12 -7.046 3.391 -5.845 1.00 0.00 C ATOM 203 CG GLU A 12 -6.906 1.872 -5.717 1.00 0.00 C ATOM 204 CD GLU A 12 -5.528 1.356 -6.117 1.00 0.00 C ATOM 205 OE1 GLU A 12 -5.266 1.224 -7.330 1.00 0.00 O ATOM 206 OE2 GLU A 12 -4.707 1.056 -5.218 1.00 0.00 O ATOM 0 H GLU A 12 -7.601 5.823 -5.802 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.195 3.486 -6.031 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.873 3.677 -6.882 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.270 3.870 -5.248 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.110 1.581 -4.686 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.661 1.391 -6.339 1.00 0.00 H new ATOM 213 N TRP A 13 -8.080 4.246 -3.002 1.00 0.00 N ATOM 214 CA TRP A 13 -8.216 3.922 -1.581 1.00 0.00 C ATOM 215 C TRP A 13 -9.669 4.049 -1.101 1.00 0.00 C ATOM 216 O TRP A 13 -10.216 3.117 -0.514 1.00 0.00 O ATOM 217 CB TRP A 13 -7.296 4.803 -0.725 1.00 0.00 C ATOM 218 CG TRP A 13 -7.493 4.594 0.749 1.00 0.00 C ATOM 219 CD1 TRP A 13 -7.712 5.553 1.692 1.00 0.00 C ATOM 220 CD2 TRP A 13 -7.522 3.338 1.440 1.00 0.00 C ATOM 221 NE1 TRP A 13 -7.860 4.972 2.927 1.00 0.00 N ATOM 222 CE2 TRP A 13 -7.751 3.615 2.799 1.00 0.00 C ATOM 223 CE3 TRP A 13 -7.368 2.004 1.041 1.00 0.00 C ATOM 224 CZ2 TRP A 13 -7.841 2.611 3.759 1.00 0.00 C ATOM 225 CZ3 TRP A 13 -7.456 1.009 1.994 1.00 0.00 C ATOM 226 CH2 TRP A 13 -7.689 1.318 3.339 1.00 0.00 C ATOM 0 H TRP A 13 -7.494 5.058 -3.196 1.00 0.00 H new ATOM 0 HA TRP A 13 -7.915 2.881 -1.462 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.258 4.592 -0.981 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.477 5.851 -0.966 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -7.762 6.614 1.497 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -8.025 5.473 3.800 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -7.184 1.758 0.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -8.024 2.844 4.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -7.343 -0.023 1.697 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -7.750 0.518 4.062 1.00 0.00 H new ATOM 237 N ASP A 14 -10.290 5.202 -1.344 1.00 0.00 N ATOM 238 CA ASP A 14 -11.683 5.418 -0.941 1.00 0.00 C ATOM 239 C ASP A 14 -12.634 4.436 -1.650 1.00 0.00 C ATOM 240 O ASP A 14 -13.680 4.077 -1.107 1.00 0.00 O ATOM 241 CB ASP A 14 -12.105 6.875 -1.190 1.00 0.00 C ATOM 242 CG ASP A 14 -12.306 7.637 0.112 1.00 0.00 C ATOM 243 OD1 ASP A 14 -13.421 7.581 0.671 1.00 0.00 O ATOM 244 OD2 ASP A 14 -11.352 8.281 0.594 1.00 0.00 O ATOM 0 H ASP A 14 -9.857 5.997 -1.814 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.752 5.224 0.129 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.345 7.376 -1.790 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.030 6.892 -1.767 1.00 0.00 H new ATOM 249 N ALA A 15 -12.261 3.992 -2.852 1.00 0.00 N ATOM 250 CA ALA A 15 -13.012 2.943 -3.552 1.00 0.00 C ATOM 251 C ALA A 15 -12.988 1.631 -2.754 1.00 0.00 C ATOM 252 O ALA A 15 -14.033 1.041 -2.467 1.00 0.00 O ATOM 253 CB ALA A 15 -12.445 2.725 -4.951 1.00 0.00 C ATOM 0 H ALA A 15 -11.448 4.339 -3.361 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.048 3.269 -3.643 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -13.013 1.944 -5.456 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.516 3.652 -5.521 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.400 2.423 -4.877 1.00 0.00 H new ATOM 259 N ALA A 16 -11.785 1.189 -2.384 1.00 0.00 N ATOM 260 CA ALA A 16 -11.618 -0.006 -1.548 1.00 0.00 C ATOM 261 C ALA A 16 -12.253 0.194 -0.161 1.00 0.00 C ATOM 262 O ALA A 16 -12.804 -0.739 0.429 1.00 0.00 O ATOM 263 CB ALA A 16 -10.139 -0.352 -1.406 1.00 0.00 C ATOM 0 H ALA A 16 -10.909 1.640 -2.649 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.129 -0.834 -2.039 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -10.031 -1.240 -0.783 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.714 -0.546 -2.391 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.613 0.482 -0.942 1.00 0.00 H new ATOM 269 N LYS A 17 -12.177 1.424 0.347 1.00 0.00 N ATOM 270 CA LYS A 17 -12.786 1.780 1.632 1.00 0.00 C ATOM 271 C LYS A 17 -14.319 1.697 1.556 1.00 0.00 C ATOM 272 O LYS A 17 -14.974 1.268 2.508 1.00 0.00 O ATOM 273 CB LYS A 17 -12.349 3.189 2.065 1.00 0.00 C ATOM 274 CG LYS A 17 -12.920 3.617 3.415 1.00 0.00 C ATOM 275 CD LYS A 17 -12.453 5.008 3.840 1.00 0.00 C ATOM 276 CE LYS A 17 -10.957 5.058 4.118 1.00 0.00 C ATOM 277 NZ LYS A 17 -10.566 6.335 4.773 1.00 0.00 N ATOM 0 H LYS A 17 -11.697 2.197 -0.114 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.442 1.063 2.377 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.261 3.224 2.112 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.659 3.906 1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -14.009 3.604 3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.627 2.892 4.175 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.699 5.726 3.057 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.996 5.313 4.734 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.676 4.220 4.756 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.408 4.945 3.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.625 6.230 5.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.539 7.095 4.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.260 6.574 5.510 1.00 0.00 H new ATOM 291 N ALA A 18 -14.886 2.104 0.421 1.00 0.00 N ATOM 292 CA ALA A 18 -16.328 1.962 0.182 1.00 0.00 C ATOM 293 C ALA A 18 -16.748 0.487 0.239 1.00 0.00 C ATOM 294 O ALA A 18 -17.814 0.146 0.759 1.00 0.00 O ATOM 295 CB ALA A 18 -16.710 2.572 -1.162 1.00 0.00 C ATOM 0 H ALA A 18 -14.373 2.534 -0.348 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.857 2.499 0.970 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.782 2.457 -1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.454 3.631 -1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -16.168 2.064 -1.959 1.00 0.00 H new ATOM 301 N GLN A 19 -15.896 -0.381 -0.307 1.00 0.00 N ATOM 302 CA GLN A 19 -16.087 -1.835 -0.220 1.00 0.00 C ATOM 303 C GLN A 19 -15.826 -2.329 1.207 1.00 0.00 C ATOM 304 O GLN A 19 -16.372 -3.343 1.646 1.00 0.00 O ATOM 305 CB GLN A 19 -15.117 -2.550 -1.173 1.00 0.00 C ATOM 306 CG GLN A 19 -15.147 -2.018 -2.595 1.00 0.00 C ATOM 307 CD GLN A 19 -14.154 -2.711 -3.516 1.00 0.00 C ATOM 308 OE1 GLN A 19 -13.846 -3.888 -3.354 1.00 0.00 O ATOM 309 NE2 GLN A 19 -13.641 -1.983 -4.488 1.00 0.00 N ATOM 0 H GLN A 19 -15.059 -0.102 -0.819 1.00 0.00 H new ATOM 0 HA GLN A 19 -17.117 -2.058 -0.498 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.104 -2.456 -0.782 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -15.356 -3.613 -1.188 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -16.152 -2.138 -2.999 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.934 -0.949 -2.581 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.918 -1.007 -4.595 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.967 -2.395 -5.133 1.00 0.00 H new ATOM 318 N GLY A 20 -14.971 -1.599 1.916 1.00 0.00 N ATOM 319 CA GLY A 20 -14.522 -2.019 3.233 1.00 0.00 C ATOM 320 C GLY A 20 -13.418 -3.065 3.151 1.00 0.00 C ATOM 321 O GLY A 20 -12.958 -3.582 4.172 1.00 0.00 O ATOM 0 H GLY A 20 -14.577 -0.714 1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.160 -1.152 3.786 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -15.365 -2.425 3.792 1.00 0.00 H new ATOM 325 N ARG A 21 -12.971 -3.362 1.932 1.00 0.00 N ATOM 326 CA ARG A 21 -12.010 -4.443 1.714 1.00 0.00 C ATOM 327 C ARG A 21 -11.174 -4.235 0.440 1.00 0.00 C ATOM 328 O ARG A 21 -11.688 -3.812 -0.594 1.00 0.00 O ATOM 329 CB ARG A 21 -12.781 -5.770 1.644 1.00 0.00 C ATOM 330 CG ARG A 21 -11.983 -6.965 1.129 1.00 0.00 C ATOM 331 CD ARG A 21 -12.802 -8.251 1.215 1.00 0.00 C ATOM 332 NE ARG A 21 -12.236 -9.328 0.408 1.00 0.00 N ATOM 333 CZ ARG A 21 -12.376 -10.597 0.671 1.00 0.00 C ATOM 334 NH1 ARG A 21 -12.974 -10.986 1.752 1.00 0.00 N ATOM 335 NH2 ARG A 21 -11.919 -11.480 -0.154 1.00 0.00 N ATOM 0 H ARG A 21 -13.257 -2.873 1.084 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.305 -4.455 2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.155 -6.006 2.640 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.651 -5.632 1.002 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -11.684 -6.789 0.096 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -11.068 -7.073 1.711 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.860 -8.572 2.255 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.822 -8.052 0.886 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.695 -9.070 -0.417 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.341 -10.297 2.408 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.078 -11.982 1.947 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.449 -11.184 -1.010 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.028 -12.473 0.050 1.00 0.00 H new ATOM 349 N PHE A 22 -9.880 -4.540 0.531 1.00 0.00 N ATOM 350 CA PHE A 22 -8.970 -4.475 -0.618 1.00 0.00 C ATOM 351 C PHE A 22 -8.301 -5.838 -0.865 1.00 0.00 C ATOM 352 O PHE A 22 -7.922 -6.532 0.077 1.00 0.00 O ATOM 353 CB PHE A 22 -7.891 -3.403 -0.386 1.00 0.00 C ATOM 354 CG PHE A 22 -6.838 -3.374 -1.466 1.00 0.00 C ATOM 355 CD1 PHE A 22 -7.116 -2.820 -2.707 1.00 0.00 C ATOM 356 CD2 PHE A 22 -5.574 -3.913 -1.245 1.00 0.00 C ATOM 357 CE1 PHE A 22 -6.161 -2.805 -3.701 1.00 0.00 C ATOM 358 CE2 PHE A 22 -4.618 -3.897 -2.237 1.00 0.00 C ATOM 359 CZ PHE A 22 -4.912 -3.344 -3.465 1.00 0.00 C ATOM 0 H PHE A 22 -9.432 -4.838 1.398 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.557 -4.209 -1.497 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.368 -2.425 -0.326 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.411 -3.583 0.576 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.091 -2.396 -2.896 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.340 -4.349 -0.285 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.390 -2.372 -4.664 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.640 -4.317 -2.053 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.164 -3.332 -4.244 1.00 0.00 H new ATOM 369 N GLU A 23 -8.153 -6.215 -2.134 1.00 0.00 N ATOM 370 CA GLU A 23 -7.483 -7.472 -2.495 1.00 0.00 C ATOM 371 C GLU A 23 -6.886 -7.414 -3.914 1.00 0.00 C ATOM 372 O GLU A 23 -7.410 -8.000 -4.860 1.00 0.00 O ATOM 373 CB GLU A 23 -8.459 -8.654 -2.339 1.00 0.00 C ATOM 374 CG GLU A 23 -9.749 -8.522 -3.150 1.00 0.00 C ATOM 375 CD GLU A 23 -10.856 -9.439 -2.652 1.00 0.00 C ATOM 376 OE1 GLU A 23 -10.625 -10.662 -2.538 1.00 0.00 O ATOM 377 OE2 GLU A 23 -11.959 -8.935 -2.356 1.00 0.00 O ATOM 0 H GLU A 23 -8.486 -5.672 -2.931 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.647 -7.622 -1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.950 -9.571 -2.636 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.716 -8.760 -1.285 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.094 -7.489 -3.110 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.540 -8.747 -4.196 1.00 0.00 H new ATOM 384 N GLY A 24 -5.778 -6.685 -4.049 1.00 0.00 N ATOM 385 CA GLY A 24 -5.121 -6.540 -5.346 1.00 0.00 C ATOM 386 C GLY A 24 -5.672 -5.386 -6.181 1.00 0.00 C ATOM 387 O GLY A 24 -6.846 -5.382 -6.549 1.00 0.00 O ATOM 0 H GLY A 24 -5.321 -6.190 -3.283 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.053 -6.387 -5.189 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.231 -7.469 -5.906 1.00 0.00 H new ATOM 391 N SER A 25 -4.823 -4.398 -6.472 1.00 0.00 N ATOM 392 CA SER A 25 -5.202 -3.278 -7.347 1.00 0.00 C ATOM 393 C SER A 25 -5.343 -3.745 -8.801 1.00 0.00 C ATOM 394 O SER A 25 -5.138 -4.919 -9.100 1.00 0.00 O ATOM 395 CB SER A 25 -4.156 -2.154 -7.262 1.00 0.00 C ATOM 396 OG SER A 25 -4.073 -1.619 -5.949 1.00 0.00 O ATOM 0 H SER A 25 -3.868 -4.348 -6.117 1.00 0.00 H new ATOM 0 HA SER A 25 -6.165 -2.897 -7.008 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.181 -2.539 -7.561 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.415 -1.361 -7.964 1.00 0.00 H new ATOM 0 HG SER A 25 -4.753 -2.038 -5.381 1.00 0.00 H new ATOM 402 N ALA A 26 -5.683 -2.829 -9.707 1.00 0.00 N ATOM 403 CA ALA A 26 -5.832 -3.165 -11.132 1.00 0.00 C ATOM 404 C ALA A 26 -4.657 -4.020 -11.644 1.00 0.00 C ATOM 405 O ALA A 26 -4.852 -5.071 -12.261 1.00 0.00 O ATOM 406 CB ALA A 26 -5.958 -1.890 -11.961 1.00 0.00 C ATOM 0 H ALA A 26 -5.861 -1.849 -9.485 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.741 -3.757 -11.240 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.068 -2.150 -13.014 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.832 -1.328 -11.633 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.064 -1.280 -11.829 1.00 0.00 H new ATOM 412 N VAL A 27 -3.437 -3.570 -11.367 1.00 0.00 N ATOM 413 CA VAL A 27 -2.231 -4.301 -11.770 1.00 0.00 C ATOM 414 C VAL A 27 -2.053 -5.592 -10.952 1.00 0.00 C ATOM 415 O VAL A 27 -1.880 -6.670 -11.512 1.00 0.00 O ATOM 416 CB VAL A 27 -0.966 -3.424 -11.607 1.00 0.00 C ATOM 417 CG1 VAL A 27 0.278 -4.157 -12.110 1.00 0.00 C ATOM 418 CG2 VAL A 27 -1.142 -2.085 -12.321 1.00 0.00 C ATOM 0 H VAL A 27 -3.253 -2.702 -10.864 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.359 -4.561 -12.821 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.826 -3.224 -10.545 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.152 -3.519 -11.984 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.414 -5.076 -11.540 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.155 -4.400 -13.165 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.242 -1.484 -12.194 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.315 -2.259 -13.383 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.995 -1.555 -11.896 1.00 0.00 H new ATOM 428 N ASP A 28 -2.105 -5.464 -9.626 1.00 0.00 N ATOM 429 CA ASP A 28 -1.913 -6.598 -8.706 1.00 0.00 C ATOM 430 C ASP A 28 -2.875 -7.761 -9.008 1.00 0.00 C ATOM 431 O ASP A 28 -2.452 -8.903 -9.179 1.00 0.00 O ATOM 432 CB ASP A 28 -2.106 -6.124 -7.261 1.00 0.00 C ATOM 433 CG ASP A 28 -1.137 -5.021 -6.879 1.00 0.00 C ATOM 434 OD1 ASP A 28 -1.085 -3.999 -7.598 1.00 0.00 O ATOM 435 OD2 ASP A 28 -0.418 -5.173 -5.870 1.00 0.00 O ATOM 0 H ASP A 28 -2.281 -4.576 -9.155 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.898 -6.971 -8.846 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.128 -5.767 -7.132 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.976 -6.968 -6.584 1.00 0.00 H new ATOM 440 N LEU A 29 -4.168 -7.459 -9.066 1.00 0.00 N ATOM 441 CA LEU A 29 -5.195 -8.460 -9.383 1.00 0.00 C ATOM 442 C LEU A 29 -4.994 -9.032 -10.797 1.00 0.00 C ATOM 443 O LEU A 29 -5.222 -10.219 -11.039 1.00 0.00 O ATOM 444 CB LEU A 29 -6.596 -7.839 -9.251 1.00 0.00 C ATOM 445 CG LEU A 29 -7.778 -8.810 -9.431 1.00 0.00 C ATOM 446 CD1 LEU A 29 -7.756 -9.907 -8.365 1.00 0.00 C ATOM 447 CD2 LEU A 29 -9.106 -8.052 -9.399 1.00 0.00 C ATOM 0 H LEU A 29 -4.537 -6.523 -8.897 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.102 -9.281 -8.672 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.677 -7.376 -8.267 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.690 -7.041 -9.987 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.677 -9.288 -10.406 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.602 -10.578 -8.516 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.827 -10.471 -8.443 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.824 -9.454 -7.376 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.929 -8.755 -9.528 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.211 -7.542 -8.441 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.126 -7.318 -10.205 1.00 0.00 H new ATOM 459 N ALA A 30 -4.567 -8.180 -11.730 1.00 0.00 N ATOM 460 CA ALA A 30 -4.250 -8.620 -13.094 1.00 0.00 C ATOM 461 C ALA A 30 -2.925 -9.406 -13.151 1.00 0.00 C ATOM 462 O ALA A 30 -2.651 -10.119 -14.123 1.00 0.00 O ATOM 463 CB ALA A 30 -4.181 -7.414 -14.021 1.00 0.00 C ATOM 0 H ALA A 30 -4.432 -7.182 -11.569 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.044 -9.291 -13.421 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.945 -7.745 -15.032 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.142 -6.900 -14.022 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.406 -6.732 -13.673 1.00 0.00 H new ATOM 469 N ASP A 31 -2.100 -9.258 -12.118 1.00 0.00 N ATOM 470 CA ASP A 31 -0.794 -9.927 -12.051 1.00 0.00 C ATOM 471 C ASP A 31 -0.899 -11.307 -11.378 1.00 0.00 C ATOM 472 O ASP A 31 -0.368 -12.300 -11.883 1.00 0.00 O ATOM 473 CB ASP A 31 0.198 -9.034 -11.294 1.00 0.00 C ATOM 474 CG ASP A 31 1.602 -9.612 -11.251 1.00 0.00 C ATOM 475 OD1 ASP A 31 2.250 -9.689 -12.318 1.00 0.00 O ATOM 476 OD2 ASP A 31 2.070 -9.975 -10.155 1.00 0.00 O ATOM 0 H ASP A 31 -2.311 -8.677 -11.307 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.437 -10.089 -13.068 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.229 -8.053 -11.767 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.159 -8.886 -10.275 1.00 0.00 H new ATOM 481 N GLY A 32 -1.586 -11.360 -10.241 1.00 0.00 N ATOM 482 CA GLY A 32 -1.746 -12.612 -9.513 1.00 0.00 C ATOM 483 C GLY A 32 -1.878 -12.408 -8.006 1.00 0.00 C ATOM 484 O GLY A 32 -2.692 -13.063 -7.352 1.00 0.00 O ATOM 0 H GLY A 32 -2.038 -10.555 -9.807 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.630 -13.132 -9.883 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.890 -13.256 -9.714 1.00 0.00 H new ATOM 488 N PHE A 33 -1.082 -11.491 -7.460 1.00 0.00 N ATOM 489 CA PHE A 33 -1.067 -11.220 -6.014 1.00 0.00 C ATOM 490 C PHE A 33 -0.687 -9.757 -5.726 1.00 0.00 C ATOM 491 O PHE A 33 -0.397 -8.989 -6.646 1.00 0.00 O ATOM 492 CB PHE A 33 -0.082 -12.168 -5.312 1.00 0.00 C ATOM 493 CG PHE A 33 1.314 -12.117 -5.885 1.00 0.00 C ATOM 494 CD1 PHE A 33 1.654 -12.893 -6.983 1.00 0.00 C ATOM 495 CD2 PHE A 33 2.282 -11.292 -5.331 1.00 0.00 C ATOM 496 CE1 PHE A 33 2.927 -12.846 -7.515 1.00 0.00 C ATOM 497 CE2 PHE A 33 3.555 -11.243 -5.860 1.00 0.00 C ATOM 498 CZ PHE A 33 3.879 -12.021 -6.953 1.00 0.00 C ATOM 0 H PHE A 33 -0.433 -10.916 -7.997 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.071 -11.391 -5.626 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.041 -11.917 -4.252 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.459 -13.188 -5.383 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.914 -13.542 -7.427 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.036 -10.681 -4.475 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.177 -13.455 -8.371 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.298 -10.596 -5.419 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.876 -11.984 -7.367 1.00 0.00 H new ATOM 508 N ILE A 34 -0.670 -9.382 -4.446 1.00 0.00 N ATOM 509 CA ILE A 34 -0.343 -8.006 -4.049 1.00 0.00 C ATOM 510 C ILE A 34 1.179 -7.803 -3.911 1.00 0.00 C ATOM 511 O ILE A 34 1.852 -8.523 -3.167 1.00 0.00 O ATOM 512 CB ILE A 34 -1.033 -7.628 -2.712 1.00 0.00 C ATOM 513 CG1 ILE A 34 -2.546 -7.898 -2.794 1.00 0.00 C ATOM 514 CG2 ILE A 34 -0.764 -6.161 -2.363 1.00 0.00 C ATOM 515 CD1 ILE A 34 -3.295 -7.612 -1.506 1.00 0.00 C ATOM 0 H ILE A 34 -0.878 -10.007 -3.667 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.714 -7.354 -4.840 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.615 -8.249 -1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.971 -7.289 -3.592 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.704 -8.940 -3.070 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.256 -5.915 -1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.310 -6.002 -2.264 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.154 -5.521 -3.155 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.354 -7.827 -1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.899 -8.240 -0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.170 -6.563 -1.238 1.00 0.00 H new ATOM 527 N HIS A 35 1.710 -6.810 -4.625 1.00 0.00 N ATOM 528 CA HIS A 35 3.150 -6.510 -4.604 1.00 0.00 C ATOM 529 C HIS A 35 3.441 -5.210 -3.827 1.00 0.00 C ATOM 530 O HIS A 35 3.436 -4.112 -4.388 1.00 0.00 O ATOM 531 CB HIS A 35 3.703 -6.422 -6.039 1.00 0.00 C ATOM 532 CG HIS A 35 2.954 -5.467 -6.922 1.00 0.00 C ATOM 533 ND1 HIS A 35 3.210 -4.118 -6.952 1.00 0.00 N ATOM 534 CD2 HIS A 35 1.936 -5.668 -7.789 1.00 0.00 C ATOM 535 CE1 HIS A 35 2.385 -3.530 -7.788 1.00 0.00 C ATOM 536 NE2 HIS A 35 1.593 -4.444 -8.314 1.00 0.00 N ATOM 0 H HIS A 35 1.165 -6.195 -5.229 1.00 0.00 H new ATOM 0 HA HIS A 35 3.655 -7.325 -4.086 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.749 -6.118 -5.997 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.677 -7.414 -6.489 1.00 0.00 H new ATOM 0 HD1 HIS A 35 3.931 -3.645 -6.408 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.476 -6.616 -8.026 1.00 0.00 H new ATOM 0 HE1 HIS A 35 2.359 -2.473 -8.008 1.00 0.00 H new ATOM 545 N LEU A 36 3.686 -5.341 -2.529 1.00 0.00 N ATOM 546 CA LEU A 36 3.933 -4.180 -1.667 1.00 0.00 C ATOM 547 C LEU A 36 5.376 -3.663 -1.804 1.00 0.00 C ATOM 548 O LEU A 36 6.225 -4.299 -2.431 1.00 0.00 O ATOM 549 CB LEU A 36 3.639 -4.550 -0.209 1.00 0.00 C ATOM 550 CG LEU A 36 2.199 -5.015 0.064 1.00 0.00 C ATOM 551 CD1 LEU A 36 2.053 -5.514 1.495 1.00 0.00 C ATOM 552 CD2 LEU A 36 1.204 -3.889 -0.218 1.00 0.00 C ATOM 0 H LEU A 36 3.720 -6.238 -2.045 1.00 0.00 H new ATOM 0 HA LEU A 36 3.267 -3.377 -1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.324 -5.341 0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.851 -3.685 0.420 1.00 0.00 H new ATOM 0 HG LEU A 36 1.978 -5.843 -0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.026 -5.837 1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.729 -6.353 1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.299 -4.709 2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.191 -4.240 -0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.426 -3.037 0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.284 -3.586 -1.262 1.00 0.00 H new ATOM 564 N SER A 37 5.646 -2.502 -1.210 1.00 0.00 N ATOM 565 CA SER A 37 6.982 -1.889 -1.269 1.00 0.00 C ATOM 566 C SER A 37 7.443 -1.437 0.123 1.00 0.00 C ATOM 567 O SER A 37 6.812 -0.592 0.754 1.00 0.00 O ATOM 568 CB SER A 37 6.977 -0.692 -2.229 1.00 0.00 C ATOM 569 OG SER A 37 6.629 -1.087 -3.546 1.00 0.00 O ATOM 0 H SER A 37 4.961 -1.963 -0.681 1.00 0.00 H new ATOM 0 HA SER A 37 7.680 -2.641 -1.637 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.271 0.058 -1.874 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.962 -0.225 -2.236 1.00 0.00 H new ATOM 0 HG SER A 37 6.633 -0.303 -4.134 1.00 0.00 H new ATOM 575 N ALA A 38 8.555 -1.996 0.592 1.00 0.00 N ATOM 576 CA ALA A 38 9.055 -1.715 1.944 1.00 0.00 C ATOM 577 C ALA A 38 9.808 -0.374 2.032 1.00 0.00 C ATOM 578 O ALA A 38 10.960 -0.274 1.604 1.00 0.00 O ATOM 579 CB ALA A 38 9.954 -2.854 2.415 1.00 0.00 C ATOM 0 H ALA A 38 9.131 -2.648 0.059 1.00 0.00 H new ATOM 0 HA ALA A 38 8.186 -1.636 2.597 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.320 -2.637 3.418 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.386 -3.784 2.429 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.799 -2.956 1.734 1.00 0.00 H new ATOM 585 N GLY A 39 9.126 0.650 2.565 1.00 0.00 N ATOM 586 CA GLY A 39 9.749 1.946 2.861 1.00 0.00 C ATOM 587 C GLY A 39 10.617 2.505 1.732 1.00 0.00 C ATOM 588 O GLY A 39 10.124 3.207 0.846 1.00 0.00 O ATOM 0 H GLY A 39 8.135 0.603 2.801 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.965 2.668 3.091 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.361 1.844 3.757 1.00 0.00 H new ATOM 592 N GLU A 40 11.912 2.187 1.777 1.00 0.00 N ATOM 593 CA GLU A 40 12.877 2.605 0.747 1.00 0.00 C ATOM 594 C GLU A 40 12.330 2.373 -0.673 1.00 0.00 C ATOM 595 O GLU A 40 12.254 3.296 -1.487 1.00 0.00 O ATOM 596 CB GLU A 40 14.188 1.822 0.930 1.00 0.00 C ATOM 597 CG GLU A 40 15.233 2.082 -0.152 1.00 0.00 C ATOM 598 CD GLU A 40 16.479 1.225 0.019 1.00 0.00 C ATOM 599 OE1 GLU A 40 16.485 0.071 -0.459 1.00 0.00 O ATOM 600 OE2 GLU A 40 17.453 1.695 0.644 1.00 0.00 O ATOM 0 H GLU A 40 12.326 1.633 2.527 1.00 0.00 H new ATOM 0 HA GLU A 40 13.056 3.674 0.865 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.616 2.075 1.900 1.00 0.00 H new ATOM 0 HB3 GLU A 40 13.961 0.756 0.950 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.794 1.887 -1.130 1.00 0.00 H new ATOM 0 HG3 GLU A 40 15.515 3.135 -0.134 1.00 0.00 H new ATOM 607 N GLN A 41 11.928 1.134 -0.948 1.00 0.00 N ATOM 608 CA GLN A 41 11.397 0.760 -2.265 1.00 0.00 C ATOM 609 C GLN A 41 10.089 1.506 -2.585 1.00 0.00 C ATOM 610 O GLN A 41 9.742 1.700 -3.751 1.00 0.00 O ATOM 611 CB GLN A 41 11.169 -0.759 -2.325 1.00 0.00 C ATOM 612 CG GLN A 41 12.446 -1.574 -2.157 1.00 0.00 C ATOM 613 CD GLN A 41 12.194 -3.074 -2.120 1.00 0.00 C ATOM 614 OE1 GLN A 41 12.184 -3.743 -3.144 1.00 0.00 O ATOM 615 NE2 GLN A 41 11.999 -3.614 -0.933 1.00 0.00 N ATOM 0 H GLN A 41 11.959 0.367 -0.276 1.00 0.00 H new ATOM 0 HA GLN A 41 12.133 1.048 -3.016 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.461 -1.043 -1.546 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.710 -1.012 -3.281 1.00 0.00 H new ATOM 0 HG2 GLN A 41 13.127 -1.346 -2.977 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.944 -1.272 -1.236 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.013 -3.029 -0.098 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.834 -4.617 -0.850 1.00 0.00 H new ATOM 624 N ALA A 42 9.372 1.927 -1.542 1.00 0.00 N ATOM 625 CA ALA A 42 8.108 2.654 -1.711 1.00 0.00 C ATOM 626 C ALA A 42 8.341 4.084 -2.219 1.00 0.00 C ATOM 627 O ALA A 42 7.786 4.486 -3.244 1.00 0.00 O ATOM 628 CB ALA A 42 7.328 2.673 -0.401 1.00 0.00 C ATOM 0 H ALA A 42 9.643 1.778 -0.570 1.00 0.00 H new ATOM 0 HA ALA A 42 7.521 2.129 -2.464 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.393 3.216 -0.542 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.111 1.651 -0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.921 3.167 0.369 1.00 0.00 H new ATOM 634 N GLN A 43 9.172 4.849 -1.508 1.00 0.00 N ATOM 635 CA GLN A 43 9.453 6.236 -1.896 1.00 0.00 C ATOM 636 C GLN A 43 10.248 6.308 -3.209 1.00 0.00 C ATOM 637 O GLN A 43 10.108 7.262 -3.978 1.00 0.00 O ATOM 638 CB GLN A 43 10.197 6.980 -0.778 1.00 0.00 C ATOM 639 CG GLN A 43 10.465 8.449 -1.104 1.00 0.00 C ATOM 640 CD GLN A 43 10.876 9.275 0.103 1.00 0.00 C ATOM 641 OE1 GLN A 43 11.493 8.781 1.037 1.00 0.00 O ATOM 642 NE2 GLN A 43 10.529 10.548 0.087 1.00 0.00 N ATOM 0 H GLN A 43 9.659 4.537 -0.668 1.00 0.00 H new ATOM 0 HA GLN A 43 8.493 6.726 -2.060 1.00 0.00 H new ATOM 0 HB2 GLN A 43 9.613 6.919 0.140 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.146 6.479 -0.586 1.00 0.00 H new ATOM 0 HG2 GLN A 43 11.250 8.508 -1.858 1.00 0.00 H new ATOM 0 HG3 GLN A 43 9.568 8.885 -1.543 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.015 10.926 -0.708 1.00 0.00 H new ATOM 0 HE22 GLN A 43 10.775 11.154 0.870 1.00 0.00 H new ATOM 651 N GLU A 44 11.080 5.305 -3.471 1.00 0.00 N ATOM 652 CA GLU A 44 11.802 5.244 -4.744 1.00 0.00 C ATOM 653 C GLU A 44 10.824 5.031 -5.912 1.00 0.00 C ATOM 654 O GLU A 44 10.905 5.715 -6.932 1.00 0.00 O ATOM 655 CB GLU A 44 12.855 4.132 -4.734 1.00 0.00 C ATOM 656 CG GLU A 44 13.737 4.142 -5.977 1.00 0.00 C ATOM 657 CD GLU A 44 14.757 3.018 -5.996 1.00 0.00 C ATOM 658 OE1 GLU A 44 15.720 3.074 -5.203 1.00 0.00 O ATOM 659 OE2 GLU A 44 14.605 2.090 -6.817 1.00 0.00 O ATOM 0 H GLU A 44 11.272 4.533 -2.832 1.00 0.00 H new ATOM 0 HA GLU A 44 12.313 6.197 -4.879 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.482 4.239 -3.849 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.356 3.166 -4.656 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.106 4.066 -6.863 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.258 5.098 -6.037 1.00 0.00 H new ATOM 666 N THR A 45 9.895 4.086 -5.753 1.00 0.00 N ATOM 667 CA THR A 45 8.837 3.862 -6.754 1.00 0.00 C ATOM 668 C THR A 45 7.978 5.122 -6.932 1.00 0.00 C ATOM 669 O THR A 45 7.577 5.466 -8.045 1.00 0.00 O ATOM 670 CB THR A 45 7.921 2.669 -6.373 1.00 0.00 C ATOM 671 OG1 THR A 45 8.687 1.457 -6.338 1.00 0.00 O ATOM 672 CG2 THR A 45 6.766 2.513 -7.363 1.00 0.00 C ATOM 0 H THR A 45 9.849 3.464 -4.946 1.00 0.00 H new ATOM 0 HA THR A 45 9.338 3.626 -7.693 1.00 0.00 H new ATOM 0 HB THR A 45 7.502 2.871 -5.387 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.140 1.381 -5.472 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.144 1.668 -7.066 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.165 3.422 -7.367 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.164 2.337 -8.362 1.00 0.00 H new ATOM 680 N ALA A 46 7.708 5.813 -5.827 1.00 0.00 N ATOM 681 CA ALA A 46 6.981 7.084 -5.867 1.00 0.00 C ATOM 682 C ALA A 46 7.779 8.162 -6.625 1.00 0.00 C ATOM 683 O ALA A 46 7.209 9.000 -7.318 1.00 0.00 O ATOM 684 CB ALA A 46 6.651 7.546 -4.451 1.00 0.00 C ATOM 0 H ALA A 46 7.981 5.515 -4.890 1.00 0.00 H new ATOM 0 HA ALA A 46 6.048 6.926 -6.409 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.111 8.492 -4.493 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.032 6.796 -3.959 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.574 7.681 -3.888 1.00 0.00 H new ATOM 690 N ALA A 47 9.104 8.127 -6.490 1.00 0.00 N ATOM 691 CA ALA A 47 9.982 9.038 -7.234 1.00 0.00 C ATOM 692 C ALA A 47 10.149 8.593 -8.698 1.00 0.00 C ATOM 693 O ALA A 47 10.432 9.405 -9.577 1.00 0.00 O ATOM 694 CB ALA A 47 11.339 9.134 -6.547 1.00 0.00 C ATOM 0 H ALA A 47 9.596 7.480 -5.874 1.00 0.00 H new ATOM 0 HA ALA A 47 9.516 10.023 -7.242 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.983 9.812 -7.107 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.208 9.512 -5.533 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.798 8.146 -6.509 1.00 0.00 H new ATOM 700 N LYS A 48 9.978 7.296 -8.950 1.00 0.00 N ATOM 701 CA LYS A 48 10.068 6.743 -10.305 1.00 0.00 C ATOM 702 C LYS A 48 8.752 6.913 -11.094 1.00 0.00 C ATOM 703 O LYS A 48 8.671 7.702 -12.035 1.00 0.00 O ATOM 704 CB LYS A 48 10.433 5.250 -10.242 1.00 0.00 C ATOM 705 CG LYS A 48 11.924 4.954 -10.076 1.00 0.00 C ATOM 706 CD LYS A 48 12.196 3.448 -10.113 1.00 0.00 C ATOM 707 CE LYS A 48 13.676 3.129 -10.312 1.00 0.00 C ATOM 708 NZ LYS A 48 14.518 3.544 -9.159 1.00 0.00 N ATOM 0 H LYS A 48 9.775 6.603 -8.230 1.00 0.00 H new ATOM 0 HA LYS A 48 10.846 7.299 -10.827 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.893 4.795 -9.412 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.082 4.767 -11.154 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.486 5.447 -10.869 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.277 5.367 -9.131 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.852 2.996 -9.183 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.618 2.997 -10.920 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.793 2.057 -10.474 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.032 3.628 -11.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.489 3.722 -9.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.129 4.412 -8.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.526 2.788 -8.445 1.00 0.00 H new ATOM 722 N TRP A 49 7.727 6.161 -10.700 1.00 0.00 N ATOM 723 CA TRP A 49 6.469 6.086 -11.460 1.00 0.00 C ATOM 724 C TRP A 49 5.459 7.176 -11.061 1.00 0.00 C ATOM 725 O TRP A 49 4.680 7.646 -11.894 1.00 0.00 O ATOM 726 CB TRP A 49 5.831 4.706 -11.268 1.00 0.00 C ATOM 727 CG TRP A 49 6.719 3.572 -11.692 1.00 0.00 C ATOM 728 CD1 TRP A 49 7.596 2.885 -10.905 1.00 0.00 C ATOM 729 CD2 TRP A 49 6.823 2.999 -13.002 1.00 0.00 C ATOM 730 NE1 TRP A 49 8.233 1.917 -11.641 1.00 0.00 N ATOM 731 CE2 TRP A 49 7.777 1.966 -12.931 1.00 0.00 C ATOM 732 CE3 TRP A 49 6.202 3.257 -14.227 1.00 0.00 C ATOM 733 CZ2 TRP A 49 8.121 1.193 -14.038 1.00 0.00 C ATOM 734 CZ3 TRP A 49 6.545 2.490 -15.325 1.00 0.00 C ATOM 735 CH2 TRP A 49 7.496 1.468 -15.224 1.00 0.00 C ATOM 0 H TRP A 49 7.738 5.590 -9.855 1.00 0.00 H new ATOM 0 HA TRP A 49 6.722 6.250 -12.507 1.00 0.00 H new ATOM 0 HB2 TRP A 49 5.569 4.579 -10.218 1.00 0.00 H new ATOM 0 HB3 TRP A 49 4.902 4.662 -11.836 1.00 0.00 H new ATOM 0 HD1 TRP A 49 7.765 3.075 -9.855 1.00 0.00 H new ATOM 0 HE1 TRP A 49 8.933 1.266 -11.284 1.00 0.00 H new ATOM 0 HE3 TRP A 49 5.466 4.043 -14.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 8.855 0.404 -13.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 6.071 2.683 -16.276 1.00 0.00 H new ATOM 0 HH2 TRP A 49 7.741 0.885 -16.099 1.00 0.00 H new ATOM 746 N PHE A 50 5.468 7.569 -9.789 1.00 0.00 N ATOM 747 CA PHE A 50 4.479 8.526 -9.265 1.00 0.00 C ATOM 748 C PHE A 50 5.054 9.948 -9.143 1.00 0.00 C ATOM 749 O PHE A 50 4.453 10.820 -8.508 1.00 0.00 O ATOM 750 CB PHE A 50 3.966 8.047 -7.899 1.00 0.00 C ATOM 751 CG PHE A 50 3.282 6.701 -7.945 1.00 0.00 C ATOM 752 CD1 PHE A 50 4.016 5.527 -7.839 1.00 0.00 C ATOM 753 CD2 PHE A 50 1.905 6.612 -8.096 1.00 0.00 C ATOM 754 CE1 PHE A 50 3.390 4.295 -7.884 1.00 0.00 C ATOM 755 CE2 PHE A 50 1.275 5.382 -8.140 1.00 0.00 C ATOM 756 CZ PHE A 50 2.019 4.223 -8.034 1.00 0.00 C ATOM 0 H PHE A 50 6.145 7.244 -9.099 1.00 0.00 H new ATOM 0 HA PHE A 50 3.654 8.570 -9.976 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.804 7.995 -7.204 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.269 8.786 -7.503 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.088 5.577 -7.720 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.318 7.515 -8.180 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.973 3.389 -7.802 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.203 5.327 -8.257 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.529 3.261 -8.068 1.00 0.00 H new ATOM 766 N ARG A 51 6.202 10.183 -9.778 1.00 0.00 N ATOM 767 CA ARG A 51 6.893 11.476 -9.692 1.00 0.00 C ATOM 768 C ARG A 51 5.995 12.628 -10.183 1.00 0.00 C ATOM 769 O ARG A 51 5.808 12.828 -11.385 1.00 0.00 O ATOM 770 CB ARG A 51 8.214 11.417 -10.491 1.00 0.00 C ATOM 771 CG ARG A 51 9.149 12.622 -10.297 1.00 0.00 C ATOM 772 CD ARG A 51 8.817 13.786 -11.234 1.00 0.00 C ATOM 773 NE ARG A 51 9.749 14.904 -11.084 1.00 0.00 N ATOM 774 CZ ARG A 51 10.171 15.647 -12.076 1.00 0.00 C ATOM 775 NH1 ARG A 51 9.801 15.402 -13.292 1.00 0.00 N ATOM 776 NH2 ARG A 51 10.973 16.631 -11.847 1.00 0.00 N ATOM 0 H ARG A 51 6.677 9.494 -10.361 1.00 0.00 H new ATOM 0 HA ARG A 51 7.125 11.676 -8.646 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.751 10.511 -10.209 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.976 11.329 -11.551 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.085 12.963 -9.264 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.179 12.308 -10.466 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.837 13.436 -12.266 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.803 14.132 -11.034 1.00 0.00 H new ATOM 0 HE ARG A 51 10.092 15.118 -10.147 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.173 14.622 -13.487 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.137 15.989 -14.055 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.278 16.829 -10.894 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.303 17.211 -12.619 1.00 0.00 H new ATOM 790 N GLY A 52 5.429 13.370 -9.236 1.00 0.00 N ATOM 791 CA GLY A 52 4.622 14.540 -9.569 1.00 0.00 C ATOM 792 C GLY A 52 3.126 14.255 -9.702 1.00 0.00 C ATOM 793 O GLY A 52 2.410 15.011 -10.360 1.00 0.00 O ATOM 0 H GLY A 52 5.513 13.184 -8.237 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.769 15.299 -8.800 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.984 14.962 -10.506 1.00 0.00 H new ATOM 797 N GLN A 53 2.653 13.167 -9.098 1.00 0.00 N ATOM 798 CA GLN A 53 1.210 12.877 -9.043 1.00 0.00 C ATOM 799 C GLN A 53 0.563 13.474 -7.777 1.00 0.00 C ATOM 800 O GLN A 53 1.233 14.103 -6.960 1.00 0.00 O ATOM 801 CB GLN A 53 0.969 11.364 -9.096 1.00 0.00 C ATOM 802 CG GLN A 53 1.421 10.722 -10.405 1.00 0.00 C ATOM 803 CD GLN A 53 1.063 9.248 -10.497 1.00 0.00 C ATOM 804 OE1 GLN A 53 0.078 8.796 -9.921 1.00 0.00 O ATOM 805 NE2 GLN A 53 1.856 8.485 -11.221 1.00 0.00 N ATOM 0 H GLN A 53 3.240 12.470 -8.640 1.00 0.00 H new ATOM 0 HA GLN A 53 0.743 13.344 -9.911 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.496 10.891 -8.267 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.093 11.168 -8.952 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.966 11.254 -11.240 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.500 10.835 -10.505 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.667 8.891 -11.688 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.659 7.489 -11.315 1.00 0.00 H new ATOM 814 N ALA A 54 -0.743 13.262 -7.611 1.00 0.00 N ATOM 815 CA ALA A 54 -1.483 13.839 -6.477 1.00 0.00 C ATOM 816 C ALA A 54 -2.333 12.788 -5.746 1.00 0.00 C ATOM 817 O ALA A 54 -2.642 11.729 -6.298 1.00 0.00 O ATOM 818 CB ALA A 54 -2.363 14.986 -6.960 1.00 0.00 C ATOM 0 H ALA A 54 -1.313 12.698 -8.242 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.751 14.216 -5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.907 15.408 -6.115 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.740 15.758 -7.412 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.072 14.614 -7.699 1.00 0.00 H new ATOM 824 N ASN A 55 -2.701 13.096 -4.496 1.00 0.00 N ATOM 825 CA ASN A 55 -3.551 12.219 -3.675 1.00 0.00 C ATOM 826 C ASN A 55 -2.897 10.859 -3.409 1.00 0.00 C ATOM 827 O ASN A 55 -3.585 9.850 -3.237 1.00 0.00 O ATOM 828 CB ASN A 55 -4.930 12.033 -4.332 1.00 0.00 C ATOM 829 CG ASN A 55 -5.832 13.248 -4.177 1.00 0.00 C ATOM 830 OD1 ASN A 55 -7.057 13.129 -4.149 1.00 0.00 O ATOM 831 ND2 ASN A 55 -5.249 14.424 -4.074 1.00 0.00 N ATOM 0 H ASN A 55 -2.420 13.956 -4.025 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.680 12.710 -2.710 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.795 11.821 -5.393 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.421 11.165 -3.893 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.815 15.266 -3.968 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.232 14.493 -4.100 1.00 0.00 H new ATOM 838 N LEU A 56 -1.572 10.842 -3.339 1.00 0.00 N ATOM 839 CA LEU A 56 -0.834 9.610 -3.065 1.00 0.00 C ATOM 840 C LEU A 56 -0.903 9.241 -1.578 1.00 0.00 C ATOM 841 O LEU A 56 -0.176 9.786 -0.746 1.00 0.00 O ATOM 842 CB LEU A 56 0.627 9.740 -3.516 1.00 0.00 C ATOM 843 CG LEU A 56 0.830 9.975 -5.021 1.00 0.00 C ATOM 844 CD1 LEU A 56 2.316 9.993 -5.365 1.00 0.00 C ATOM 845 CD2 LEU A 56 0.093 8.914 -5.841 1.00 0.00 C ATOM 0 H LEU A 56 -0.984 11.666 -3.468 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.304 8.808 -3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.087 10.564 -2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.160 8.833 -3.231 1.00 0.00 H new ATOM 0 HG LEU A 56 0.410 10.948 -5.275 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.440 10.161 -6.435 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.808 10.794 -4.813 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.764 9.037 -5.093 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.251 9.101 -6.903 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.476 7.926 -5.585 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.973 8.959 -5.619 1.00 0.00 H new ATOM 857 N VAL A 57 -1.810 8.332 -1.252 1.00 0.00 N ATOM 858 CA VAL A 57 -1.945 7.830 0.111 1.00 0.00 C ATOM 859 C VAL A 57 -0.943 6.700 0.377 1.00 0.00 C ATOM 860 O VAL A 57 -0.872 5.727 -0.374 1.00 0.00 O ATOM 861 CB VAL A 57 -3.380 7.314 0.382 1.00 0.00 C ATOM 862 CG1 VAL A 57 -3.521 6.819 1.822 1.00 0.00 C ATOM 863 CG2 VAL A 57 -4.407 8.402 0.075 1.00 0.00 C ATOM 0 H VAL A 57 -2.468 7.924 -1.916 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.738 8.663 0.783 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.569 6.469 -0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.538 6.462 1.986 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.818 6.005 1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.308 7.637 2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.410 8.022 0.271 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.218 9.270 0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.328 8.692 -0.973 1.00 0.00 H new ATOM 873 N LEU A 58 -0.152 6.851 1.429 1.00 0.00 N ATOM 874 CA LEU A 58 0.758 5.797 1.867 1.00 0.00 C ATOM 875 C LEU A 58 0.095 4.936 2.952 1.00 0.00 C ATOM 876 O LEU A 58 -0.005 5.347 4.113 1.00 0.00 O ATOM 877 CB LEU A 58 2.062 6.409 2.398 1.00 0.00 C ATOM 878 CG LEU A 58 3.131 5.396 2.841 1.00 0.00 C ATOM 879 CD1 LEU A 58 3.620 4.569 1.653 1.00 0.00 C ATOM 880 CD2 LEU A 58 4.293 6.108 3.530 1.00 0.00 C ATOM 0 H LEU A 58 -0.120 7.696 1.999 1.00 0.00 H new ATOM 0 HA LEU A 58 0.992 5.161 1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.488 7.045 1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.823 7.054 3.244 1.00 0.00 H new ATOM 0 HG LEU A 58 2.679 4.713 3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.376 3.859 1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.781 4.026 1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.053 5.231 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.039 5.375 3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.745 6.819 2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.925 6.639 4.408 1.00 0.00 H new ATOM 892 N LEU A 59 -0.389 3.760 2.565 1.00 0.00 N ATOM 893 CA LEU A 59 -1.008 2.834 3.515 1.00 0.00 C ATOM 894 C LEU A 59 0.049 2.138 4.379 1.00 0.00 C ATOM 895 O LEU A 59 0.816 1.310 3.888 1.00 0.00 O ATOM 896 CB LEU A 59 -1.850 1.784 2.779 1.00 0.00 C ATOM 897 CG LEU A 59 -3.058 2.333 2.006 1.00 0.00 C ATOM 898 CD1 LEU A 59 -3.802 1.204 1.295 1.00 0.00 C ATOM 899 CD2 LEU A 59 -3.995 3.099 2.942 1.00 0.00 C ATOM 0 H LEU A 59 -0.366 3.423 1.602 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.658 3.418 4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.205 1.250 2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.206 1.054 3.506 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.694 3.027 1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.654 1.614 0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.130 0.710 0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.154 0.480 2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.844 3.480 2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.352 2.431 3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.457 3.933 3.393 1.00 0.00 H new ATOM 911 N ALA A 60 0.092 2.495 5.658 1.00 0.00 N ATOM 912 CA ALA A 60 0.999 1.859 6.617 1.00 0.00 C ATOM 913 C ALA A 60 0.235 0.870 7.507 1.00 0.00 C ATOM 914 O ALA A 60 -0.644 1.266 8.276 1.00 0.00 O ATOM 915 CB ALA A 60 1.695 2.918 7.465 1.00 0.00 C ATOM 0 H ALA A 60 -0.494 3.227 6.060 1.00 0.00 H new ATOM 0 HA ALA A 60 1.757 1.304 6.064 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.366 2.433 8.174 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.268 3.583 6.819 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.949 3.496 8.010 1.00 0.00 H new ATOM 921 N VAL A 61 0.551 -0.418 7.380 1.00 0.00 N ATOM 922 CA VAL A 61 -0.117 -1.466 8.165 1.00 0.00 C ATOM 923 C VAL A 61 0.902 -2.347 8.906 1.00 0.00 C ATOM 924 O VAL A 61 1.845 -2.863 8.302 1.00 0.00 O ATOM 925 CB VAL A 61 -0.992 -2.373 7.259 1.00 0.00 C ATOM 926 CG1 VAL A 61 -1.764 -3.399 8.091 1.00 0.00 C ATOM 927 CG2 VAL A 61 -1.944 -1.537 6.401 1.00 0.00 C ATOM 0 H VAL A 61 1.266 -0.766 6.741 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.750 -0.958 8.892 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.326 -2.917 6.589 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.369 -4.021 7.431 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.061 -4.027 8.638 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.413 -2.881 8.797 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.545 -2.197 5.776 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.599 -0.954 7.048 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.367 -0.864 5.767 1.00 0.00 H new ATOM 937 N GLU A 62 0.720 -2.514 10.214 1.00 0.00 N ATOM 938 CA GLU A 62 1.581 -3.408 10.996 1.00 0.00 C ATOM 939 C GLU A 62 1.244 -4.883 10.722 1.00 0.00 C ATOM 940 O GLU A 62 0.374 -5.476 11.365 1.00 0.00 O ATOM 941 CB GLU A 62 1.485 -3.098 12.500 1.00 0.00 C ATOM 942 CG GLU A 62 0.061 -3.065 13.052 1.00 0.00 C ATOM 943 CD GLU A 62 0.023 -2.988 14.568 1.00 0.00 C ATOM 944 OE1 GLU A 62 0.144 -1.873 15.121 1.00 0.00 O ATOM 945 OE2 GLU A 62 -0.122 -4.046 15.218 1.00 0.00 O ATOM 0 H GLU A 62 -0.009 -2.048 10.754 1.00 0.00 H new ATOM 0 HA GLU A 62 2.609 -3.232 10.681 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.056 -3.846 13.049 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.957 -2.134 12.690 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.466 -2.207 12.635 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.472 -3.957 12.724 1.00 0.00 H new ATOM 952 N ALA A 63 1.923 -5.464 9.741 1.00 0.00 N ATOM 953 CA ALA A 63 1.706 -6.864 9.378 1.00 0.00 C ATOM 954 C ALA A 63 2.390 -7.809 10.371 1.00 0.00 C ATOM 955 O ALA A 63 1.821 -8.828 10.759 1.00 0.00 O ATOM 956 CB ALA A 63 2.212 -7.131 7.964 1.00 0.00 C ATOM 0 H ALA A 63 2.630 -4.989 9.180 1.00 0.00 H new ATOM 0 HA ALA A 63 0.634 -7.055 9.413 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.043 -8.177 7.709 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.676 -6.495 7.260 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.279 -6.912 7.912 1.00 0.00 H new ATOM 962 N GLU A 64 3.607 -7.438 10.786 1.00 0.00 N ATOM 963 CA GLU A 64 4.441 -8.272 11.665 1.00 0.00 C ATOM 964 C GLU A 64 4.872 -9.579 10.966 1.00 0.00 C ATOM 965 O GLU A 64 4.275 -9.988 9.968 1.00 0.00 O ATOM 966 CB GLU A 64 3.715 -8.575 12.993 1.00 0.00 C ATOM 967 CG GLU A 64 3.342 -7.328 13.794 1.00 0.00 C ATOM 968 CD GLU A 64 4.538 -6.436 14.107 1.00 0.00 C ATOM 969 OE1 GLU A 64 5.242 -6.689 15.110 1.00 0.00 O ATOM 970 OE2 GLU A 64 4.785 -5.470 13.354 1.00 0.00 O ATOM 0 H GLU A 64 4.042 -6.554 10.524 1.00 0.00 H new ATOM 0 HA GLU A 64 5.344 -7.705 11.891 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.809 -9.142 12.779 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.352 -9.212 13.607 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.604 -6.752 13.235 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.869 -7.632 14.728 1.00 0.00 H new ATOM 977 N PRO A 65 5.957 -10.223 11.447 1.00 0.00 N ATOM 978 CA PRO A 65 6.405 -11.532 10.934 1.00 0.00 C ATOM 979 C PRO A 65 5.307 -12.612 11.004 1.00 0.00 C ATOM 980 O PRO A 65 5.307 -13.466 11.891 1.00 0.00 O ATOM 981 CB PRO A 65 7.588 -11.891 11.851 1.00 0.00 C ATOM 982 CG PRO A 65 8.075 -10.582 12.374 1.00 0.00 C ATOM 983 CD PRO A 65 6.859 -9.701 12.487 1.00 0.00 C ATOM 0 HA PRO A 65 6.669 -11.482 9.878 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.275 -12.549 12.662 1.00 0.00 H new ATOM 0 HB3 PRO A 65 8.371 -12.413 11.301 1.00 0.00 H new ATOM 0 HG2 PRO A 65 8.559 -10.705 13.343 1.00 0.00 H new ATOM 0 HG3 PRO A 65 8.813 -10.144 11.702 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.408 -9.764 13.477 1.00 0.00 H new ATOM 0 HD3 PRO A 65 7.105 -8.653 12.315 1.00 0.00 H new ATOM 991 N LEU A 66 4.356 -12.544 10.077 1.00 0.00 N ATOM 992 CA LEU A 66 3.255 -13.515 10.010 1.00 0.00 C ATOM 993 C LEU A 66 3.757 -14.920 9.634 1.00 0.00 C ATOM 994 O LEU A 66 3.663 -15.853 10.433 1.00 0.00 O ATOM 995 CB LEU A 66 2.187 -13.040 9.011 1.00 0.00 C ATOM 996 CG LEU A 66 1.473 -11.732 9.391 1.00 0.00 C ATOM 997 CD1 LEU A 66 0.516 -11.295 8.285 1.00 0.00 C ATOM 998 CD2 LEU A 66 0.731 -11.890 10.721 1.00 0.00 C ATOM 0 H LEU A 66 4.321 -11.824 9.355 1.00 0.00 H new ATOM 0 HA LEU A 66 2.809 -13.581 11.003 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.657 -12.909 8.036 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.439 -13.825 8.902 1.00 0.00 H new ATOM 0 HG LEU A 66 2.227 -10.954 9.511 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.023 -10.368 8.576 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.075 -11.135 7.363 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.233 -12.070 8.125 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.232 -10.954 10.973 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.011 -12.684 10.632 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.442 -12.145 11.507 1.00 0.00 H new ATOM 1010 N GLY A 67 4.282 -15.073 8.418 1.00 0.00 N ATOM 1011 CA GLY A 67 4.837 -16.361 8.005 1.00 0.00 C ATOM 1012 C GLY A 67 4.633 -16.680 6.526 1.00 0.00 C ATOM 1013 O GLY A 67 5.465 -16.334 5.688 1.00 0.00 O ATOM 0 H GLY A 67 4.334 -14.337 7.714 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.905 -16.372 8.225 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.380 -17.150 8.603 1.00 0.00 H new ATOM 1017 N GLU A 68 3.524 -17.345 6.207 1.00 0.00 N ATOM 1018 CA GLU A 68 3.271 -17.845 4.858 1.00 0.00 C ATOM 1019 C GLU A 68 2.640 -16.782 3.938 1.00 0.00 C ATOM 1020 O GLU A 68 3.021 -16.648 2.773 1.00 0.00 O ATOM 1021 CB GLU A 68 2.350 -19.066 4.947 1.00 0.00 C ATOM 1022 CG GLU A 68 0.966 -18.765 5.518 1.00 0.00 C ATOM 1023 CD GLU A 68 0.063 -19.986 5.559 1.00 0.00 C ATOM 1024 OE1 GLU A 68 -0.242 -20.542 4.483 1.00 0.00 O ATOM 1025 OE2 GLU A 68 -0.358 -20.386 6.663 1.00 0.00 O ATOM 0 H GLU A 68 2.779 -17.551 6.873 1.00 0.00 H new ATOM 0 HA GLU A 68 4.231 -18.114 4.417 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.235 -19.494 3.951 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.829 -19.824 5.566 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.074 -18.366 6.526 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.492 -17.989 4.917 1.00 0.00 H new ATOM 1032 N ASP A 69 1.676 -16.032 4.466 1.00 0.00 N ATOM 1033 CA ASP A 69 0.901 -15.077 3.668 1.00 0.00 C ATOM 1034 C ASP A 69 1.710 -13.810 3.350 1.00 0.00 C ATOM 1035 O ASP A 69 1.653 -13.289 2.233 1.00 0.00 O ATOM 1036 CB ASP A 69 -0.405 -14.731 4.394 1.00 0.00 C ATOM 1037 CG ASP A 69 -0.193 -14.119 5.770 1.00 0.00 C ATOM 1038 OD1 ASP A 69 0.832 -14.430 6.418 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -1.063 -13.346 6.216 1.00 0.00 O ATOM 0 H ASP A 69 1.409 -16.066 5.450 1.00 0.00 H new ATOM 0 HA ASP A 69 0.661 -15.546 2.714 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.979 -14.036 3.781 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.005 -15.635 4.496 1.00 0.00 H new ATOM 1044 N LEU A 70 2.443 -13.310 4.339 1.00 0.00 N ATOM 1045 CA LEU A 70 3.412 -12.238 4.111 1.00 0.00 C ATOM 1046 C LEU A 70 4.754 -12.835 3.669 1.00 0.00 C ATOM 1047 O LEU A 70 5.564 -13.267 4.493 1.00 0.00 O ATOM 1048 CB LEU A 70 3.597 -11.386 5.373 1.00 0.00 C ATOM 1049 CG LEU A 70 4.573 -10.205 5.221 1.00 0.00 C ATOM 1050 CD1 LEU A 70 4.055 -9.191 4.199 1.00 0.00 C ATOM 1051 CD2 LEU A 70 4.826 -9.541 6.569 1.00 0.00 C ATOM 0 H LEU A 70 2.386 -13.628 5.307 1.00 0.00 H new ATOM 0 HA LEU A 70 3.031 -11.590 3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.625 -10.998 5.677 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.950 -12.029 6.179 1.00 0.00 H new ATOM 0 HG LEU A 70 5.521 -10.595 4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.764 -8.368 4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.942 -9.677 3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.090 -8.805 4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.518 -8.709 6.440 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.884 -9.171 6.975 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.257 -10.268 7.258 1.00 0.00 H new ATOM 1063 N LYS A 71 4.973 -12.869 2.364 1.00 0.00 N ATOM 1064 CA LYS A 71 6.123 -13.570 1.788 1.00 0.00 C ATOM 1065 C LYS A 71 7.181 -12.583 1.266 1.00 0.00 C ATOM 1066 O LYS A 71 7.026 -11.992 0.196 1.00 0.00 O ATOM 1067 CB LYS A 71 5.639 -14.491 0.654 1.00 0.00 C ATOM 1068 CG LYS A 71 6.651 -15.546 0.218 1.00 0.00 C ATOM 1069 CD LYS A 71 6.975 -16.519 1.351 1.00 0.00 C ATOM 1070 CE LYS A 71 7.805 -17.704 0.868 1.00 0.00 C ATOM 1071 NZ LYS A 71 9.076 -17.277 0.225 1.00 0.00 N ATOM 0 H LYS A 71 4.369 -12.419 1.676 1.00 0.00 H new ATOM 0 HA LYS A 71 6.594 -14.167 2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.726 -14.993 0.976 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.379 -13.878 -0.209 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.257 -16.098 -0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.566 -15.057 -0.115 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.517 -15.993 2.136 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.047 -16.883 1.793 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.029 -18.356 1.712 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.220 -18.290 0.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.667 -18.112 0.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.866 -16.791 -0.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.585 -16.629 0.859 1.00 0.00 H new ATOM 1085 N TRP A 72 8.251 -12.396 2.036 1.00 0.00 N ATOM 1086 CA TRP A 72 9.358 -11.528 1.625 1.00 0.00 C ATOM 1087 C TRP A 72 10.263 -12.240 0.611 1.00 0.00 C ATOM 1088 O TRP A 72 11.059 -13.110 0.974 1.00 0.00 O ATOM 1089 CB TRP A 72 10.179 -11.090 2.846 1.00 0.00 C ATOM 1090 CG TRP A 72 9.446 -10.144 3.753 1.00 0.00 C ATOM 1091 CD1 TRP A 72 8.552 -10.464 4.736 1.00 0.00 C ATOM 1092 CD2 TRP A 72 9.554 -8.718 3.757 1.00 0.00 C ATOM 1093 NE1 TRP A 72 8.093 -9.319 5.342 1.00 0.00 N ATOM 1094 CE2 TRP A 72 8.696 -8.236 4.760 1.00 0.00 C ATOM 1095 CE3 TRP A 72 10.294 -7.803 3.002 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 8.560 -6.878 5.032 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 10.161 -6.455 3.273 1.00 0.00 C ATOM 1098 CH2 TRP A 72 9.298 -6.002 4.281 1.00 0.00 C ATOM 0 H TRP A 72 8.377 -12.833 2.949 1.00 0.00 H new ATOM 0 HA TRP A 72 8.934 -10.644 1.149 1.00 0.00 H new ATOM 0 HB2 TRP A 72 10.470 -11.974 3.414 1.00 0.00 H new ATOM 0 HB3 TRP A 72 11.098 -10.614 2.504 1.00 0.00 H new ATOM 0 HD1 TRP A 72 8.251 -11.468 4.998 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.414 -9.282 6.102 1.00 0.00 H new ATOM 0 HE3 TRP A 72 10.958 -8.144 2.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 7.896 -6.527 5.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.731 -5.739 2.699 1.00 0.00 H new ATOM 0 HH2 TRP A 72 9.214 -4.942 4.469 1.00 0.00 H new ATOM 1109 N GLU A 73 10.129 -11.882 -0.663 1.00 0.00 N ATOM 1110 CA GLU A 73 10.913 -12.517 -1.730 1.00 0.00 C ATOM 1111 C GLU A 73 11.790 -11.499 -2.473 1.00 0.00 C ATOM 1112 O GLU A 73 11.290 -10.668 -3.235 1.00 0.00 O ATOM 1113 CB GLU A 73 9.981 -13.233 -2.721 1.00 0.00 C ATOM 1114 CG GLU A 73 9.178 -14.367 -2.093 1.00 0.00 C ATOM 1115 CD GLU A 73 8.298 -15.098 -3.096 1.00 0.00 C ATOM 1116 OE1 GLU A 73 7.139 -14.684 -3.291 1.00 0.00 O ATOM 1117 OE2 GLU A 73 8.761 -16.096 -3.682 1.00 0.00 O ATOM 0 H GLU A 73 9.488 -11.158 -0.986 1.00 0.00 H new ATOM 0 HA GLU A 73 11.573 -13.248 -1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.292 -12.505 -3.150 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.576 -13.632 -3.543 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.863 -15.079 -1.633 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.553 -13.964 -1.295 1.00 0.00 H new ATOM 1124 N ALA A 74 13.095 -11.560 -2.231 1.00 0.00 N ATOM 1125 CA ALA A 74 14.059 -10.713 -2.937 1.00 0.00 C ATOM 1126 C ALA A 74 14.326 -11.233 -4.353 1.00 0.00 C ATOM 1127 O ALA A 74 14.547 -12.430 -4.552 1.00 0.00 O ATOM 1128 CB ALA A 74 15.362 -10.635 -2.150 1.00 0.00 C ATOM 0 H ALA A 74 13.515 -12.190 -1.548 1.00 0.00 H new ATOM 0 HA ALA A 74 13.631 -9.714 -3.022 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.072 -10.003 -2.683 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.167 -10.211 -1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 74 15.780 -11.635 -2.038 1.00 0.00 H new ATOM 1134 N SER A 75 14.308 -10.334 -5.334 1.00 0.00 N ATOM 1135 CA SER A 75 14.569 -10.714 -6.730 1.00 0.00 C ATOM 1136 C SER A 75 16.038 -11.113 -6.931 1.00 0.00 C ATOM 1137 O SER A 75 16.860 -10.981 -6.020 1.00 0.00 O ATOM 1138 CB SER A 75 14.197 -9.569 -7.688 1.00 0.00 C ATOM 1139 OG SER A 75 12.804 -9.282 -7.645 1.00 0.00 O ATOM 0 H SER A 75 14.117 -9.342 -5.195 1.00 0.00 H new ATOM 0 HA SER A 75 13.944 -11.578 -6.958 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.762 -8.675 -7.424 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.483 -9.837 -8.705 1.00 0.00 H new ATOM 0 HG SER A 75 12.574 -8.666 -8.371 1.00 0.00 H new ATOM 1145 N ARG A 76 16.360 -11.610 -8.124 1.00 0.00 N ATOM 1146 CA ARG A 76 17.720 -12.073 -8.440 1.00 0.00 C ATOM 1147 C ARG A 76 18.802 -11.023 -8.101 1.00 0.00 C ATOM 1148 O ARG A 76 19.132 -10.152 -8.910 1.00 0.00 O ATOM 1149 CB ARG A 76 17.809 -12.486 -9.921 1.00 0.00 C ATOM 1150 CG ARG A 76 17.327 -11.413 -10.896 1.00 0.00 C ATOM 1151 CD ARG A 76 17.453 -11.854 -12.352 1.00 0.00 C ATOM 1152 NE ARG A 76 16.717 -13.091 -12.625 1.00 0.00 N ATOM 1153 CZ ARG A 76 15.437 -13.148 -12.887 1.00 0.00 C ATOM 1154 NH1 ARG A 76 14.703 -12.080 -12.867 1.00 0.00 N ATOM 1155 NH2 ARG A 76 14.888 -14.286 -13.160 1.00 0.00 N ATOM 0 H ARG A 76 15.698 -11.705 -8.894 1.00 0.00 H new ATOM 0 HA ARG A 76 17.919 -12.940 -7.810 1.00 0.00 H new ATOM 0 HB2 ARG A 76 18.843 -12.737 -10.156 1.00 0.00 H new ATOM 0 HB3 ARG A 76 17.219 -13.390 -10.071 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.286 -11.171 -10.681 1.00 0.00 H new ATOM 0 HG3 ARG A 76 17.904 -10.501 -10.744 1.00 0.00 H new ATOM 0 HD2 ARG A 76 17.082 -11.062 -13.002 1.00 0.00 H new ATOM 0 HD3 ARG A 76 18.506 -11.999 -12.595 1.00 0.00 H new ATOM 0 HE ARG A 76 17.238 -13.967 -12.610 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.122 -11.177 -12.644 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.706 -12.142 -13.074 1.00 0.00 H new ATOM 0 HH21 ARG A 76 15.453 -15.135 -13.170 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.890 -14.335 -13.365 1.00 0.00 H new ATOM 1169 N GLY A 77 19.327 -11.095 -6.877 1.00 0.00 N ATOM 1170 CA GLY A 77 20.446 -10.246 -6.483 1.00 0.00 C ATOM 1171 C GLY A 77 20.047 -8.888 -5.904 1.00 0.00 C ATOM 1172 O GLY A 77 20.893 -7.994 -5.799 1.00 0.00 O ATOM 0 H GLY A 77 18.997 -11.728 -6.148 1.00 0.00 H new ATOM 0 HA2 GLY A 77 21.045 -10.778 -5.744 1.00 0.00 H new ATOM 0 HA3 GLY A 77 21.083 -10.082 -7.352 1.00 0.00 H new ATOM 1176 N GLY A 78 18.778 -8.711 -5.524 1.00 0.00 N ATOM 1177 CA GLY A 78 18.372 -7.445 -4.911 1.00 0.00 C ATOM 1178 C GLY A 78 16.861 -7.221 -4.833 1.00 0.00 C ATOM 1179 O GLY A 78 16.078 -7.936 -5.462 1.00 0.00 O ATOM 0 H GLY A 78 18.036 -9.404 -5.625 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.784 -7.398 -3.903 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.817 -6.626 -5.476 1.00 0.00 H new ATOM 1183 N ALA A 79 16.474 -6.203 -4.055 1.00 0.00 N ATOM 1184 CA ALA A 79 15.072 -5.791 -3.879 1.00 0.00 C ATOM 1185 C ALA A 79 14.186 -6.890 -3.264 1.00 0.00 C ATOM 1186 O ALA A 79 13.695 -7.781 -3.962 1.00 0.00 O ATOM 1187 CB ALA A 79 14.484 -5.300 -5.196 1.00 0.00 C ATOM 0 H ALA A 79 17.132 -5.634 -3.523 1.00 0.00 H new ATOM 0 HA ALA A 79 15.083 -4.969 -3.163 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.447 -5.001 -5.042 1.00 0.00 H new ATOM 0 HB2 ALA A 79 15.059 -4.446 -5.555 1.00 0.00 H new ATOM 0 HB3 ALA A 79 14.525 -6.101 -5.934 1.00 0.00 H new ATOM 1193 N ARG A 80 13.985 -6.820 -1.950 1.00 0.00 N ATOM 1194 CA ARG A 80 13.088 -7.751 -1.252 1.00 0.00 C ATOM 1195 C ARG A 80 11.635 -7.243 -1.270 1.00 0.00 C ATOM 1196 O ARG A 80 11.269 -6.328 -0.531 1.00 0.00 O ATOM 1197 CB ARG A 80 13.573 -7.988 0.190 1.00 0.00 C ATOM 1198 CG ARG A 80 13.825 -6.712 0.990 1.00 0.00 C ATOM 1199 CD ARG A 80 14.361 -7.017 2.388 1.00 0.00 C ATOM 1200 NE ARG A 80 15.583 -7.828 2.347 1.00 0.00 N ATOM 1201 CZ ARG A 80 16.372 -8.030 3.368 1.00 0.00 C ATOM 1202 NH1 ARG A 80 16.137 -7.473 4.511 1.00 0.00 N ATOM 1203 NH2 ARG A 80 17.410 -8.790 3.237 1.00 0.00 N ATOM 0 H ARG A 80 14.429 -6.130 -1.344 1.00 0.00 H new ATOM 0 HA ARG A 80 13.110 -8.704 -1.781 1.00 0.00 H new ATOM 0 HB2 ARG A 80 12.832 -8.591 0.715 1.00 0.00 H new ATOM 0 HB3 ARG A 80 14.494 -8.571 0.159 1.00 0.00 H new ATOM 0 HG2 ARG A 80 14.538 -6.083 0.456 1.00 0.00 H new ATOM 0 HG3 ARG A 80 12.898 -6.145 1.072 1.00 0.00 H new ATOM 0 HD2 ARG A 80 14.565 -6.082 2.909 1.00 0.00 H new ATOM 0 HD3 ARG A 80 13.597 -7.542 2.962 1.00 0.00 H new ATOM 0 HE ARG A 80 15.834 -8.264 1.460 1.00 0.00 H new ATOM 0 HH11 ARG A 80 15.326 -6.866 4.625 1.00 0.00 H new ATOM 0 HH12 ARG A 80 16.763 -7.641 5.299 1.00 0.00 H new ATOM 0 HH21 ARG A 80 17.610 -9.229 2.339 1.00 0.00 H new ATOM 0 HH22 ARG A 80 18.028 -8.950 4.032 1.00 0.00 H new ATOM 1217 N PHE A 81 10.814 -7.836 -2.135 1.00 0.00 N ATOM 1218 CA PHE A 81 9.425 -7.399 -2.305 1.00 0.00 C ATOM 1219 C PHE A 81 8.466 -8.145 -1.360 1.00 0.00 C ATOM 1220 O PHE A 81 8.369 -9.375 -1.405 1.00 0.00 O ATOM 1221 CB PHE A 81 8.975 -7.610 -3.757 1.00 0.00 C ATOM 1222 CG PHE A 81 9.750 -6.802 -4.767 1.00 0.00 C ATOM 1223 CD1 PHE A 81 9.471 -5.455 -4.962 1.00 0.00 C ATOM 1224 CD2 PHE A 81 10.748 -7.392 -5.531 1.00 0.00 C ATOM 1225 CE1 PHE A 81 10.171 -4.717 -5.898 1.00 0.00 C ATOM 1226 CE2 PHE A 81 11.450 -6.656 -6.465 1.00 0.00 C ATOM 1227 CZ PHE A 81 11.162 -5.318 -6.649 1.00 0.00 C ATOM 0 H PHE A 81 11.084 -8.620 -2.729 1.00 0.00 H new ATOM 0 HA PHE A 81 9.389 -6.338 -2.056 1.00 0.00 H new ATOM 0 HB2 PHE A 81 9.069 -8.667 -4.005 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.918 -7.356 -3.839 1.00 0.00 H new ATOM 0 HD1 PHE A 81 8.699 -4.979 -4.376 1.00 0.00 H new ATOM 0 HD2 PHE A 81 10.978 -8.438 -5.393 1.00 0.00 H new ATOM 0 HE1 PHE A 81 9.943 -3.671 -6.042 1.00 0.00 H new ATOM 0 HE2 PHE A 81 12.225 -7.127 -7.052 1.00 0.00 H new ATOM 0 HZ PHE A 81 11.711 -4.742 -7.379 1.00 0.00 H new ATOM 1237 N PRO A 82 7.747 -7.408 -0.486 1.00 0.00 N ATOM 1238 CA PRO A 82 6.694 -7.987 0.364 1.00 0.00 C ATOM 1239 C PRO A 82 5.498 -8.488 -0.463 1.00 0.00 C ATOM 1240 O PRO A 82 4.629 -7.708 -0.860 1.00 0.00 O ATOM 1241 CB PRO A 82 6.267 -6.818 1.278 1.00 0.00 C ATOM 1242 CG PRO A 82 7.349 -5.797 1.144 1.00 0.00 C ATOM 1243 CD PRO A 82 7.912 -5.967 -0.241 1.00 0.00 C ATOM 0 HA PRO A 82 7.051 -8.857 0.916 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.303 -6.412 0.972 1.00 0.00 H new ATOM 0 HB3 PRO A 82 6.161 -7.146 2.312 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.955 -4.790 1.284 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.121 -5.945 1.900 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.371 -5.368 -0.974 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.958 -5.665 -0.292 1.00 0.00 H new ATOM 1251 N HIS A 83 5.478 -9.785 -0.754 1.00 0.00 N ATOM 1252 CA HIS A 83 4.383 -10.390 -1.519 1.00 0.00 C ATOM 1253 C HIS A 83 3.272 -10.891 -0.585 1.00 0.00 C ATOM 1254 O HIS A 83 3.476 -11.830 0.181 1.00 0.00 O ATOM 1255 CB HIS A 83 4.911 -11.548 -2.378 1.00 0.00 C ATOM 1256 CG HIS A 83 5.905 -11.128 -3.423 1.00 0.00 C ATOM 1257 ND1 HIS A 83 6.728 -12.015 -4.079 1.00 0.00 N ATOM 1258 CD2 HIS A 83 6.183 -9.910 -3.947 1.00 0.00 C ATOM 1259 CE1 HIS A 83 7.467 -11.367 -4.956 1.00 0.00 C ATOM 1260 NE2 HIS A 83 7.156 -10.088 -4.901 1.00 0.00 N ATOM 0 H HIS A 83 6.207 -10.441 -0.473 1.00 0.00 H new ATOM 0 HA HIS A 83 3.963 -9.625 -2.172 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.375 -12.288 -1.726 1.00 0.00 H new ATOM 0 HB3 HIS A 83 4.069 -12.037 -2.868 1.00 0.00 H new ATOM 0 HD1 HIS A 83 6.761 -13.021 -3.912 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.725 -8.973 -3.667 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.204 -11.810 -5.610 1.00 0.00 H new ATOM 1269 N LEU A 84 2.101 -10.257 -0.651 1.00 0.00 N ATOM 1270 CA LEU A 84 0.964 -10.634 0.200 1.00 0.00 C ATOM 1271 C LEU A 84 -0.100 -11.403 -0.600 1.00 0.00 C ATOM 1272 O LEU A 84 -0.617 -10.915 -1.607 1.00 0.00 O ATOM 1273 CB LEU A 84 0.340 -9.387 0.851 1.00 0.00 C ATOM 1274 CG LEU A 84 -0.894 -9.653 1.735 1.00 0.00 C ATOM 1275 CD1 LEU A 84 -0.562 -10.630 2.865 1.00 0.00 C ATOM 1276 CD2 LEU A 84 -1.444 -8.343 2.294 1.00 0.00 C ATOM 0 H LEU A 84 1.912 -9.480 -1.284 1.00 0.00 H new ATOM 0 HA LEU A 84 1.339 -11.291 0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.101 -8.894 1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.058 -8.689 0.063 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.663 -10.112 1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.451 -10.799 3.473 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.227 -11.577 2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.229 -10.211 3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.315 -8.550 2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.677 -7.853 2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.733 -7.689 1.471 1.00 0.00 H new ATOM 1288 N TYR A 85 -0.422 -12.609 -0.141 1.00 0.00 N ATOM 1289 CA TYR A 85 -1.413 -13.461 -0.814 1.00 0.00 C ATOM 1290 C TYR A 85 -2.745 -13.497 -0.042 1.00 0.00 C ATOM 1291 O TYR A 85 -3.478 -14.488 -0.087 1.00 0.00 O ATOM 1292 CB TYR A 85 -0.842 -14.881 -0.976 1.00 0.00 C ATOM 1293 CG TYR A 85 0.438 -14.923 -1.795 1.00 0.00 C ATOM 1294 CD1 TYR A 85 1.668 -14.615 -1.219 1.00 0.00 C ATOM 1295 CD2 TYR A 85 0.415 -15.255 -3.147 1.00 0.00 C ATOM 1296 CE1 TYR A 85 2.831 -14.634 -1.963 1.00 0.00 C ATOM 1297 CE2 TYR A 85 1.576 -15.281 -3.896 1.00 0.00 C ATOM 1298 CZ TYR A 85 2.781 -14.968 -3.300 1.00 0.00 C ATOM 1299 OH TYR A 85 3.939 -14.982 -4.046 1.00 0.00 O ATOM 0 H TYR A 85 -0.013 -13.024 0.696 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.621 -13.039 -1.797 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -0.648 -15.302 0.010 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.591 -15.514 -1.452 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.713 -14.357 -0.171 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.526 -15.496 -3.618 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.775 -14.388 -1.500 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.541 -15.545 -4.943 1.00 0.00 H new ATOM 0 HH TYR A 85 3.731 -15.239 -4.969 1.00 0.00 H new ATOM 1309 N ARG A 86 -3.068 -12.399 0.647 1.00 0.00 N ATOM 1310 CA ARG A 86 -4.307 -12.301 1.439 1.00 0.00 C ATOM 1311 C ARG A 86 -5.057 -10.988 1.155 1.00 0.00 C ATOM 1312 O ARG A 86 -4.439 -9.967 0.849 1.00 0.00 O ATOM 1313 CB ARG A 86 -3.986 -12.386 2.941 1.00 0.00 C ATOM 1314 CG ARG A 86 -3.387 -13.719 3.374 1.00 0.00 C ATOM 1315 CD ARG A 86 -4.396 -14.860 3.304 1.00 0.00 C ATOM 1316 NE ARG A 86 -3.757 -16.166 3.477 1.00 0.00 N ATOM 1317 CZ ARG A 86 -3.873 -16.916 4.545 1.00 0.00 C ATOM 1318 NH1 ARG A 86 -4.481 -16.477 5.600 1.00 0.00 N ATOM 1319 NH2 ARG A 86 -3.349 -18.100 4.567 1.00 0.00 N ATOM 0 H ARG A 86 -2.489 -11.560 0.675 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.947 -13.134 1.149 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.291 -11.587 3.199 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.900 -12.209 3.508 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.533 -13.954 2.739 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.012 -13.631 4.394 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.154 -14.722 4.075 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.910 -14.832 2.343 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.181 -16.517 2.712 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.877 -15.537 5.606 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.564 -17.071 6.425 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.845 -18.450 3.752 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.440 -18.683 5.399 1.00 0.00 H new ATOM 1333 N PRO A 87 -6.405 -11.002 1.246 1.00 0.00 N ATOM 1334 CA PRO A 87 -7.221 -9.783 1.115 1.00 0.00 C ATOM 1335 C PRO A 87 -7.146 -8.892 2.370 1.00 0.00 C ATOM 1336 O PRO A 87 -7.449 -9.334 3.481 1.00 0.00 O ATOM 1337 CB PRO A 87 -8.641 -10.332 0.915 1.00 0.00 C ATOM 1338 CG PRO A 87 -8.638 -11.648 1.617 1.00 0.00 C ATOM 1339 CD PRO A 87 -7.242 -12.203 1.463 1.00 0.00 C ATOM 0 HA PRO A 87 -6.882 -9.143 0.300 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -9.389 -9.660 1.336 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -8.876 -10.448 -0.143 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -8.896 -11.529 2.669 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -9.376 -12.323 1.183 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -6.930 -12.753 2.351 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.177 -12.893 0.622 1.00 0.00 H new ATOM 1347 N LEU A 88 -6.741 -7.640 2.187 1.00 0.00 N ATOM 1348 CA LEU A 88 -6.585 -6.701 3.302 1.00 0.00 C ATOM 1349 C LEU A 88 -7.879 -5.914 3.562 1.00 0.00 C ATOM 1350 O LEU A 88 -8.266 -5.050 2.773 1.00 0.00 O ATOM 1351 CB LEU A 88 -5.429 -5.731 3.012 1.00 0.00 C ATOM 1352 CG LEU A 88 -5.121 -4.709 4.126 1.00 0.00 C ATOM 1353 CD1 LEU A 88 -4.711 -5.414 5.418 1.00 0.00 C ATOM 1354 CD2 LEU A 88 -4.035 -3.731 3.678 1.00 0.00 C ATOM 0 H LEU A 88 -6.513 -7.247 1.274 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.360 -7.279 4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.529 -6.314 2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.657 -5.186 2.096 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.031 -4.143 4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.499 -4.671 6.187 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.522 -6.061 5.752 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.819 -6.014 5.238 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.834 -3.019 4.479 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.124 -4.281 3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.372 -3.194 2.791 1.00 0.00 H new ATOM 1366 N LEU A 89 -8.551 -6.224 4.666 1.00 0.00 N ATOM 1367 CA LEU A 89 -9.753 -5.485 5.074 1.00 0.00 C ATOM 1368 C LEU A 89 -9.391 -4.062 5.519 1.00 0.00 C ATOM 1369 O LEU A 89 -8.365 -3.852 6.165 1.00 0.00 O ATOM 1370 CB LEU A 89 -10.479 -6.216 6.217 1.00 0.00 C ATOM 1371 CG LEU A 89 -11.347 -7.420 5.807 1.00 0.00 C ATOM 1372 CD1 LEU A 89 -12.538 -6.962 4.971 1.00 0.00 C ATOM 1373 CD2 LEU A 89 -10.529 -8.469 5.048 1.00 0.00 C ATOM 0 H LEU A 89 -8.288 -6.981 5.298 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.418 -5.427 4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.733 -6.559 6.934 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.113 -5.497 6.736 1.00 0.00 H new ATOM 0 HG LEU A 89 -11.719 -7.886 6.719 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.140 -7.827 4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.146 -6.270 5.553 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.180 -6.462 4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.173 -9.305 4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.111 -8.022 4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -9.719 -8.828 5.683 1.00 0.00 H new ATOM 1385 N VAL A 90 -10.243 -3.089 5.189 1.00 0.00 N ATOM 1386 CA VAL A 90 -9.986 -1.688 5.553 1.00 0.00 C ATOM 1387 C VAL A 90 -9.810 -1.538 7.078 1.00 0.00 C ATOM 1388 O VAL A 90 -9.050 -0.696 7.557 1.00 0.00 O ATOM 1389 CB VAL A 90 -11.129 -0.756 5.057 1.00 0.00 C ATOM 1390 CG1 VAL A 90 -12.363 -0.851 5.952 1.00 0.00 C ATOM 1391 CG2 VAL A 90 -10.650 0.686 4.945 1.00 0.00 C ATOM 0 H VAL A 90 -11.111 -3.240 4.675 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.060 -1.389 5.061 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.417 -1.097 4.063 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.139 -0.186 5.573 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.733 -1.876 5.954 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.099 -0.559 6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.469 1.315 4.596 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -10.315 1.035 5.922 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.823 0.741 4.237 1.00 0.00 H new ATOM 1401 N SER A 91 -10.501 -2.400 7.826 1.00 0.00 N ATOM 1402 CA SER A 91 -10.426 -2.416 9.298 1.00 0.00 C ATOM 1403 C SER A 91 -9.015 -2.751 9.806 1.00 0.00 C ATOM 1404 O SER A 91 -8.618 -2.326 10.893 1.00 0.00 O ATOM 1405 CB SER A 91 -11.420 -3.444 9.864 1.00 0.00 C ATOM 1406 OG SER A 91 -11.230 -3.642 11.259 1.00 0.00 O ATOM 0 H SER A 91 -11.127 -3.105 7.437 1.00 0.00 H new ATOM 0 HA SER A 91 -10.679 -1.413 9.642 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.439 -3.105 9.679 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.300 -4.393 9.341 1.00 0.00 H new ATOM 0 HG SER A 91 -10.624 -4.398 11.402 1.00 0.00 H new ATOM 1412 N GLU A 92 -8.259 -3.506 9.016 1.00 0.00 N ATOM 1413 CA GLU A 92 -6.944 -3.997 9.445 1.00 0.00 C ATOM 1414 C GLU A 92 -5.823 -2.987 9.143 1.00 0.00 C ATOM 1415 O GLU A 92 -4.662 -3.215 9.487 1.00 0.00 O ATOM 1416 CB GLU A 92 -6.638 -5.339 8.762 1.00 0.00 C ATOM 1417 CG GLU A 92 -7.787 -6.344 8.823 1.00 0.00 C ATOM 1418 CD GLU A 92 -8.275 -6.622 10.238 1.00 0.00 C ATOM 1419 OE1 GLU A 92 -7.632 -7.421 10.949 1.00 0.00 O ATOM 1420 OE2 GLU A 92 -9.315 -6.055 10.646 1.00 0.00 O ATOM 0 H GLU A 92 -8.529 -3.794 8.075 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.981 -4.133 10.526 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.386 -5.154 7.718 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -5.758 -5.780 9.229 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -8.619 -5.969 8.227 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -7.465 -7.280 8.367 1.00 0.00 H new ATOM 1427 N VAL A 93 -6.172 -1.870 8.503 1.00 0.00 N ATOM 1428 CA VAL A 93 -5.188 -0.833 8.173 1.00 0.00 C ATOM 1429 C VAL A 93 -4.842 0.023 9.401 1.00 0.00 C ATOM 1430 O VAL A 93 -5.731 0.539 10.082 1.00 0.00 O ATOM 1431 CB VAL A 93 -5.696 0.080 7.027 1.00 0.00 C ATOM 1432 CG1 VAL A 93 -4.681 1.180 6.706 1.00 0.00 C ATOM 1433 CG2 VAL A 93 -6.008 -0.752 5.784 1.00 0.00 C ATOM 0 H VAL A 93 -7.124 -1.659 8.203 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.286 -1.346 7.840 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.614 0.564 7.359 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.064 1.804 5.899 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.516 1.793 7.592 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.739 0.727 6.398 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.364 -0.098 4.988 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.105 -1.267 5.455 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.778 -1.486 6.021 1.00 0.00 H new ATOM 1443 N THR A 94 -3.546 0.162 9.684 1.00 0.00 N ATOM 1444 CA THR A 94 -3.084 0.944 10.837 1.00 0.00 C ATOM 1445 C THR A 94 -3.311 2.447 10.621 1.00 0.00 C ATOM 1446 O THR A 94 -4.057 3.086 11.365 1.00 0.00 O ATOM 1447 CB THR A 94 -1.581 0.690 11.130 1.00 0.00 C ATOM 1448 OG1 THR A 94 -1.330 -0.721 11.242 1.00 0.00 O ATOM 1449 CG2 THR A 94 -1.134 1.391 12.412 1.00 0.00 C ATOM 0 H THR A 94 -2.796 -0.256 9.132 1.00 0.00 H new ATOM 0 HA THR A 94 -3.672 0.616 11.694 1.00 0.00 H new ATOM 0 HB THR A 94 -1.008 1.100 10.298 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.050 -1.141 11.758 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.077 1.191 12.586 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.289 2.465 12.312 1.00 0.00 H new ATOM 0 HG23 THR A 94 -1.717 1.017 13.254 1.00 0.00 H new ATOM 1457 N ARG A 95 -2.679 3.007 9.589 1.00 0.00 N ATOM 1458 CA ARG A 95 -2.820 4.437 9.283 1.00 0.00 C ATOM 1459 C ARG A 95 -2.709 4.715 7.775 1.00 0.00 C ATOM 1460 O ARG A 95 -1.957 4.054 7.056 1.00 0.00 O ATOM 1461 CB ARG A 95 -1.764 5.252 10.046 1.00 0.00 C ATOM 1462 CG ARG A 95 -1.799 6.753 9.751 1.00 0.00 C ATOM 1463 CD ARG A 95 -0.856 7.530 10.665 1.00 0.00 C ATOM 1464 NE ARG A 95 -0.845 8.964 10.363 1.00 0.00 N ATOM 1465 CZ ARG A 95 -1.204 9.897 11.206 1.00 0.00 C ATOM 1466 NH1 ARG A 95 -1.708 9.587 12.356 1.00 0.00 N ATOM 1467 NH2 ARG A 95 -1.091 11.142 10.877 1.00 0.00 N ATOM 0 H ARG A 95 -2.067 2.498 8.952 1.00 0.00 H new ATOM 0 HA ARG A 95 -3.816 4.742 9.604 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.906 5.100 11.116 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -0.775 4.867 9.798 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.522 6.926 8.711 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -2.816 7.125 9.876 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.155 7.382 11.703 1.00 0.00 H new ATOM 0 HD3 ARG A 95 0.154 7.132 10.564 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.537 9.253 9.435 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -1.829 8.607 12.613 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -1.985 10.322 13.006 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -0.722 11.396 9.961 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -1.371 11.870 11.534 1.00 0.00 H new ATOM 1481 N GLU A 96 -3.466 5.708 7.315 1.00 0.00 N ATOM 1482 CA GLU A 96 -3.447 6.137 5.910 1.00 0.00 C ATOM 1483 C GLU A 96 -2.819 7.536 5.772 1.00 0.00 C ATOM 1484 O GLU A 96 -3.428 8.544 6.130 1.00 0.00 O ATOM 1485 CB GLU A 96 -4.876 6.128 5.336 1.00 0.00 C ATOM 1486 CG GLU A 96 -5.896 6.885 6.187 1.00 0.00 C ATOM 1487 CD GLU A 96 -7.287 6.901 5.571 1.00 0.00 C ATOM 1488 OE1 GLU A 96 -7.987 5.872 5.645 1.00 0.00 O ATOM 1489 OE2 GLU A 96 -7.685 7.938 5.003 1.00 0.00 O ATOM 0 H GLU A 96 -4.110 6.240 7.900 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.835 5.436 5.343 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.857 6.564 4.337 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.206 5.095 5.227 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.947 6.428 7.175 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.555 7.911 6.327 1.00 0.00 H new ATOM 1496 N ALA A 97 -1.589 7.598 5.272 1.00 0.00 N ATOM 1497 CA ALA A 97 -0.889 8.877 5.122 1.00 0.00 C ATOM 1498 C ALA A 97 -1.202 9.545 3.775 1.00 0.00 C ATOM 1499 O ALA A 97 -0.527 9.300 2.777 1.00 0.00 O ATOM 1500 CB ALA A 97 0.614 8.678 5.285 1.00 0.00 C ATOM 0 H ALA A 97 -1.056 6.785 4.964 1.00 0.00 H new ATOM 0 HA ALA A 97 -1.246 9.544 5.906 1.00 0.00 H new ATOM 0 HB1 ALA A 97 1.122 9.636 5.171 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.822 8.272 6.275 1.00 0.00 H new ATOM 0 HB3 ALA A 97 0.974 7.984 4.525 1.00 0.00 H new ATOM 1506 N ASP A 98 -2.244 10.370 3.753 1.00 0.00 N ATOM 1507 CA ASP A 98 -2.621 11.116 2.547 1.00 0.00 C ATOM 1508 C ASP A 98 -1.613 12.244 2.258 1.00 0.00 C ATOM 1509 O ASP A 98 -1.538 13.231 2.995 1.00 0.00 O ATOM 1510 CB ASP A 98 -4.045 11.676 2.704 1.00 0.00 C ATOM 1511 CG ASP A 98 -4.217 12.512 3.965 1.00 0.00 C ATOM 1512 OD1 ASP A 98 -4.173 11.938 5.075 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -4.393 13.745 3.858 1.00 0.00 O ATOM 0 H ASP A 98 -2.847 10.542 4.557 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.604 10.436 1.695 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.288 12.286 1.834 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -4.755 10.849 2.722 1.00 0.00 H new ATOM 1518 N LEU A 99 -0.827 12.091 1.190 1.00 0.00 N ATOM 1519 CA LEU A 99 0.224 13.064 0.861 1.00 0.00 C ATOM 1520 C LEU A 99 0.179 13.514 -0.612 1.00 0.00 C ATOM 1521 O LEU A 99 0.547 12.759 -1.514 1.00 0.00 O ATOM 1522 CB LEU A 99 1.609 12.467 1.168 1.00 0.00 C ATOM 1523 CG LEU A 99 1.867 12.097 2.641 1.00 0.00 C ATOM 1524 CD1 LEU A 99 3.230 11.425 2.801 1.00 0.00 C ATOM 1525 CD2 LEU A 99 1.766 13.332 3.536 1.00 0.00 C ATOM 0 H LEU A 99 -0.895 11.308 0.540 1.00 0.00 H new ATOM 0 HA LEU A 99 0.044 13.944 1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.741 11.572 0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.370 13.182 0.854 1.00 0.00 H new ATOM 0 HG LEU A 99 1.099 11.388 2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 99 3.390 11.173 3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.260 10.516 2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.013 12.106 2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.952 13.047 4.572 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.506 14.069 3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.768 13.762 3.451 1.00 0.00 H new ATOM 1537 N ASP A 100 -0.283 14.741 -0.852 1.00 0.00 N ATOM 1538 CA ASP A 100 -0.101 15.384 -2.158 1.00 0.00 C ATOM 1539 C ASP A 100 1.373 15.786 -2.341 1.00 0.00 C ATOM 1540 O ASP A 100 2.023 16.246 -1.400 1.00 0.00 O ATOM 1541 CB ASP A 100 -1.005 16.618 -2.299 1.00 0.00 C ATOM 1542 CG ASP A 100 -2.467 16.253 -2.487 1.00 0.00 C ATOM 1543 OD1 ASP A 100 -2.822 15.751 -3.573 1.00 0.00 O ATOM 1544 OD2 ASP A 100 -3.272 16.469 -1.556 1.00 0.00 O ATOM 0 H ASP A 100 -0.783 15.308 -0.167 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.381 14.670 -2.933 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -0.902 17.243 -1.412 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -0.671 17.213 -3.149 1.00 0.00 H new ATOM 1549 N LEU A 101 1.901 15.599 -3.546 1.00 0.00 N ATOM 1550 CA LEU A 101 3.313 15.884 -3.819 1.00 0.00 C ATOM 1551 C LEU A 101 3.567 17.388 -4.016 1.00 0.00 C ATOM 1552 O LEU A 101 2.645 18.147 -4.308 1.00 0.00 O ATOM 1553 CB LEU A 101 3.775 15.088 -5.041 1.00 0.00 C ATOM 1554 CG LEU A 101 3.650 13.562 -4.895 1.00 0.00 C ATOM 1555 CD1 LEU A 101 4.149 12.852 -6.148 1.00 0.00 C ATOM 1556 CD2 LEU A 101 4.404 13.074 -3.658 1.00 0.00 C ATOM 0 H LEU A 101 1.378 15.252 -4.350 1.00 0.00 H new ATOM 0 HA LEU A 101 3.895 15.575 -2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.194 15.406 -5.906 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.816 15.336 -5.248 1.00 0.00 H new ATOM 0 HG LEU A 101 2.595 13.320 -4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.050 11.774 -6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.558 13.171 -7.007 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.196 13.103 -6.315 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.303 11.992 -3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.459 13.334 -3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.989 13.548 -2.768 1.00 0.00 H new ATOM 1568 N ASP A 102 4.828 17.812 -3.866 1.00 0.00 N ATOM 1569 CA ASP A 102 5.157 19.250 -3.901 1.00 0.00 C ATOM 1570 C ASP A 102 6.598 19.517 -4.382 1.00 0.00 C ATOM 1571 O ASP A 102 7.422 18.602 -4.439 1.00 0.00 O ATOM 1572 CB ASP A 102 4.946 19.856 -2.506 1.00 0.00 C ATOM 1573 CG ASP A 102 5.086 21.369 -2.500 1.00 0.00 C ATOM 1574 OD1 ASP A 102 4.173 22.056 -2.998 1.00 0.00 O ATOM 1575 OD2 ASP A 102 6.120 21.877 -2.022 1.00 0.00 O ATOM 0 H ASP A 102 5.628 17.195 -3.721 1.00 0.00 H new ATOM 0 HA ASP A 102 4.490 19.723 -4.622 1.00 0.00 H new ATOM 0 HB2 ASP A 102 3.955 19.585 -2.142 1.00 0.00 H new ATOM 0 HB3 ASP A 102 5.669 19.425 -1.813 1.00 0.00 H new ATOM 1580 N ALA A 103 6.876 20.786 -4.724 1.00 0.00 N ATOM 1581 CA ALA A 103 8.199 21.229 -5.198 1.00 0.00 C ATOM 1582 C ALA A 103 8.590 20.559 -6.526 1.00 0.00 C ATOM 1583 O ALA A 103 8.369 21.114 -7.605 1.00 0.00 O ATOM 1584 CB ALA A 103 9.266 20.992 -4.128 1.00 0.00 C ATOM 0 H ALA A 103 6.187 21.537 -4.679 1.00 0.00 H new ATOM 0 HA ALA A 103 8.134 22.300 -5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.235 21.326 -4.500 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.010 21.552 -3.228 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.315 19.929 -3.892 1.00 0.00 H new ATOM 1590 N ASP A 104 9.161 19.362 -6.440 1.00 0.00 N ATOM 1591 CA ASP A 104 9.517 18.578 -7.628 1.00 0.00 C ATOM 1592 C ASP A 104 8.532 17.417 -7.792 1.00 0.00 C ATOM 1593 O ASP A 104 8.329 16.884 -8.887 1.00 0.00 O ATOM 1594 CB ASP A 104 10.947 18.042 -7.486 1.00 0.00 C ATOM 1595 CG ASP A 104 11.413 17.270 -8.713 1.00 0.00 C ATOM 1596 OD1 ASP A 104 11.176 16.047 -8.789 1.00 0.00 O ATOM 1597 OD2 ASP A 104 12.023 17.885 -9.613 1.00 0.00 O ATOM 0 H ASP A 104 9.390 18.907 -5.556 1.00 0.00 H new ATOM 0 HA ASP A 104 9.465 19.215 -8.511 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.626 18.875 -7.307 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.002 17.393 -6.612 1.00 0.00 H new ATOM 1602 N GLY A 105 7.906 17.055 -6.681 1.00 0.00 N ATOM 1603 CA GLY A 105 7.011 15.916 -6.643 1.00 0.00 C ATOM 1604 C GLY A 105 7.466 14.857 -5.649 1.00 0.00 C ATOM 1605 O GLY A 105 6.992 13.724 -5.684 1.00 0.00 O ATOM 0 H GLY A 105 8.005 17.540 -5.789 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.009 16.253 -6.378 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.946 15.474 -7.637 1.00 0.00 H new ATOM 1609 N VAL A 106 8.391 15.215 -4.752 1.00 0.00 N ATOM 1610 CA VAL A 106 8.907 14.256 -3.766 1.00 0.00 C ATOM 1611 C VAL A 106 9.046 14.862 -2.349 1.00 0.00 C ATOM 1612 O VAL A 106 10.143 15.216 -1.917 1.00 0.00 O ATOM 1613 CB VAL A 106 10.281 13.662 -4.196 1.00 0.00 C ATOM 1614 CG1 VAL A 106 10.738 12.575 -3.215 1.00 0.00 C ATOM 1615 CG2 VAL A 106 10.225 13.108 -5.621 1.00 0.00 C ATOM 0 H VAL A 106 8.794 16.150 -4.687 1.00 0.00 H new ATOM 0 HA VAL A 106 8.162 13.461 -3.728 1.00 0.00 H new ATOM 0 HB VAL A 106 11.010 14.472 -4.177 1.00 0.00 H new ATOM 0 HG11 VAL A 106 11.700 12.176 -3.537 1.00 0.00 H new ATOM 0 HG12 VAL A 106 10.838 13.004 -2.218 1.00 0.00 H new ATOM 0 HG13 VAL A 106 10.001 11.772 -3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.199 12.701 -5.892 1.00 0.00 H new ATOM 0 HG22 VAL A 106 9.474 12.320 -5.676 1.00 0.00 H new ATOM 0 HG23 VAL A 106 9.962 13.908 -6.312 1.00 0.00 H new ATOM 1625 N PRO A 107 7.922 15.052 -1.625 1.00 0.00 N ATOM 1626 CA PRO A 107 7.942 15.215 -0.171 1.00 0.00 C ATOM 1627 C PRO A 107 7.974 13.831 0.498 1.00 0.00 C ATOM 1628 O PRO A 107 9.011 13.389 1.002 1.00 0.00 O ATOM 1629 CB PRO A 107 6.627 15.967 0.140 1.00 0.00 C ATOM 1630 CG PRO A 107 5.949 16.173 -1.186 1.00 0.00 C ATOM 1631 CD PRO A 107 6.567 15.189 -2.145 1.00 0.00 C ATOM 0 HA PRO A 107 8.813 15.757 0.198 1.00 0.00 H new ATOM 0 HB2 PRO A 107 5.997 15.389 0.816 1.00 0.00 H new ATOM 0 HB3 PRO A 107 6.828 16.920 0.629 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.875 16.008 -1.101 1.00 0.00 H new ATOM 0 HG3 PRO A 107 6.088 17.195 -1.537 1.00 0.00 H new ATOM 0 HD2 PRO A 107 6.035 14.237 -2.149 1.00 0.00 H new ATOM 0 HD3 PRO A 107 6.561 15.562 -3.169 1.00 0.00 H new ATOM 1639 N GLN A 108 6.827 13.145 0.469 1.00 0.00 N ATOM 1640 CA GLN A 108 6.774 11.698 0.696 1.00 0.00 C ATOM 1641 C GLN A 108 7.393 11.263 2.035 1.00 0.00 C ATOM 1642 O GLN A 108 7.327 11.975 3.029 1.00 0.00 O ATOM 1643 CB GLN A 108 7.450 11.011 -0.497 1.00 0.00 C ATOM 1644 CG GLN A 108 6.763 11.322 -1.824 1.00 0.00 C ATOM 1645 CD GLN A 108 7.523 10.809 -3.029 1.00 0.00 C ATOM 1646 OE1 GLN A 108 8.233 9.816 -2.959 1.00 0.00 O ATOM 1647 NE2 GLN A 108 7.385 11.493 -4.145 1.00 0.00 N ATOM 0 H GLN A 108 5.918 13.572 0.289 1.00 0.00 H new ATOM 0 HA GLN A 108 5.730 11.394 0.770 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.492 11.326 -0.550 1.00 0.00 H new ATOM 0 HB3 GLN A 108 7.451 9.933 -0.337 1.00 0.00 H new ATOM 0 HG2 GLN A 108 5.765 10.884 -1.820 1.00 0.00 H new ATOM 0 HG3 GLN A 108 6.637 12.401 -1.915 1.00 0.00 H new ATOM 0 HE21 GLN A 108 6.784 12.317 -4.167 1.00 0.00 H new ATOM 0 HE22 GLN A 108 7.879 11.199 -4.988 1.00 0.00 H new ATOM 1656 N LEU A 109 7.987 10.078 2.035 1.00 0.00 N ATOM 1657 CA LEU A 109 8.511 9.431 3.251 1.00 0.00 C ATOM 1658 C LEU A 109 9.678 10.194 3.905 1.00 0.00 C ATOM 1659 O LEU A 109 10.264 9.704 4.871 1.00 0.00 O ATOM 1660 CB LEU A 109 8.942 7.985 2.941 1.00 0.00 C ATOM 1661 CG LEU A 109 7.798 6.993 2.649 1.00 0.00 C ATOM 1662 CD1 LEU A 109 6.990 7.427 1.430 1.00 0.00 C ATOM 1663 CD2 LEU A 109 8.346 5.580 2.456 1.00 0.00 C ATOM 0 H LEU A 109 8.125 9.526 1.188 1.00 0.00 H new ATOM 0 HA LEU A 109 7.694 9.436 3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.612 8.002 2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.518 7.608 3.786 1.00 0.00 H new ATOM 0 HG LEU A 109 7.130 6.990 3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.191 6.708 1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.559 8.412 1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.643 7.472 0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 109 7.523 4.895 2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.043 5.571 1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.864 5.264 3.361 1.00 0.00 H new ATOM 1675 N GLY A 110 10.007 11.382 3.392 1.00 0.00 N ATOM 1676 CA GLY A 110 11.089 12.186 3.968 1.00 0.00 C ATOM 1677 C GLY A 110 10.956 12.403 5.480 1.00 0.00 C ATOM 1678 O GLY A 110 11.946 12.664 6.167 1.00 0.00 O ATOM 0 H GLY A 110 9.545 11.806 2.587 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.042 11.698 3.762 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.113 13.156 3.471 1.00 0.00 H new ATOM 1682 N ASP A 111 9.729 12.313 5.991 1.00 0.00 N ATOM 1683 CA ASP A 111 9.471 12.398 7.436 1.00 0.00 C ATOM 1684 C ASP A 111 9.309 10.996 8.060 1.00 0.00 C ATOM 1685 O ASP A 111 9.592 10.791 9.240 1.00 0.00 O ATOM 1686 CB ASP A 111 8.206 13.229 7.683 1.00 0.00 C ATOM 1687 CG ASP A 111 6.968 12.567 7.103 1.00 0.00 C ATOM 1688 OD1 ASP A 111 6.991 12.207 5.908 1.00 0.00 O ATOM 1689 OD2 ASP A 111 5.979 12.385 7.842 1.00 0.00 O ATOM 0 H ASP A 111 8.890 12.180 5.426 1.00 0.00 H new ATOM 0 HA ASP A 111 10.327 12.879 7.909 1.00 0.00 H new ATOM 0 HB2 ASP A 111 8.071 13.374 8.755 1.00 0.00 H new ATOM 0 HB3 ASP A 111 8.329 14.218 7.241 1.00 0.00 H new ATOM 1694 N HIS A 112 8.838 10.039 7.256 1.00 0.00 N ATOM 1695 CA HIS A 112 8.610 8.666 7.715 1.00 0.00 C ATOM 1696 C HIS A 112 9.920 7.910 8.002 1.00 0.00 C ATOM 1697 O HIS A 112 9.989 7.101 8.930 1.00 0.00 O ATOM 1698 CB HIS A 112 7.807 7.909 6.654 1.00 0.00 C ATOM 1699 CG HIS A 112 6.388 8.368 6.524 1.00 0.00 C ATOM 1700 ND1 HIS A 112 6.021 9.653 6.194 1.00 0.00 N ATOM 1701 CD2 HIS A 112 5.239 7.691 6.694 1.00 0.00 C ATOM 1702 CE1 HIS A 112 4.709 9.745 6.171 1.00 0.00 C ATOM 1703 NE2 HIS A 112 4.204 8.566 6.472 1.00 0.00 N ATOM 0 H HIS A 112 8.605 10.192 6.275 1.00 0.00 H new ATOM 0 HA HIS A 112 8.058 8.722 8.653 1.00 0.00 H new ATOM 0 HB2 HIS A 112 8.304 8.019 5.690 1.00 0.00 H new ATOM 0 HB3 HIS A 112 7.814 6.846 6.897 1.00 0.00 H new ATOM 0 HD1 HIS A 112 6.668 10.417 5.997 1.00 0.00 H new ATOM 0 HD2 HIS A 112 5.147 6.648 6.957 1.00 0.00 H new ATOM 0 HE1 HIS A 112 4.142 10.636 5.944 1.00 0.00 H new ATOM 1712 N LEU A 113 10.947 8.157 7.193 1.00 0.00 N ATOM 1713 CA LEU A 113 12.215 7.427 7.305 1.00 0.00 C ATOM 1714 C LEU A 113 13.313 8.289 7.952 1.00 0.00 C ATOM 1715 O LEU A 113 13.166 9.504 8.086 1.00 0.00 O ATOM 1716 CB LEU A 113 12.667 6.944 5.916 1.00 0.00 C ATOM 1717 CG LEU A 113 11.624 6.126 5.128 1.00 0.00 C ATOM 1718 CD1 LEU A 113 12.207 5.636 3.804 1.00 0.00 C ATOM 1719 CD2 LEU A 113 11.102 4.955 5.961 1.00 0.00 C ATOM 0 H LEU A 113 10.930 8.857 6.451 1.00 0.00 H new ATOM 0 HA LEU A 113 12.049 6.566 7.952 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.947 7.813 5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 113 13.565 6.337 6.035 1.00 0.00 H new ATOM 0 HG LEU A 113 10.781 6.780 4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.454 5.061 3.265 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.510 6.492 3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 113 13.074 5.005 4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 113 10.368 4.395 5.382 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.931 4.299 6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 113 10.634 5.335 6.869 1.00 0.00 H new ATOM 1731 N ALA A 114 14.407 7.639 8.359 1.00 0.00 N ATOM 1732 CA ALA A 114 15.550 8.320 8.991 1.00 0.00 C ATOM 1733 C ALA A 114 15.173 8.966 10.338 1.00 0.00 C ATOM 1734 O ALA A 114 15.830 9.910 10.793 1.00 0.00 O ATOM 1735 CB ALA A 114 16.144 9.359 8.040 1.00 0.00 C ATOM 0 H ALA A 114 14.529 6.631 8.262 1.00 0.00 H new ATOM 0 HA ALA A 114 16.303 7.561 9.202 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.988 9.853 8.522 1.00 0.00 H new ATOM 0 HB2 ALA A 114 16.484 8.866 7.129 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.384 10.100 7.790 1.00 0.00 H new ATOM 1741 N LEU A 115 14.133 8.438 10.986 1.00 0.00 N ATOM 1742 CA LEU A 115 13.685 8.956 12.287 1.00 0.00 C ATOM 1743 C LEU A 115 14.678 8.608 13.417 1.00 0.00 C ATOM 1744 O LEU A 115 14.450 7.710 14.230 1.00 0.00 O ATOM 1745 CB LEU A 115 12.254 8.475 12.638 1.00 0.00 C ATOM 1746 CG LEU A 115 12.035 6.950 12.789 1.00 0.00 C ATOM 1747 CD1 LEU A 115 10.693 6.667 13.461 1.00 0.00 C ATOM 1748 CD2 LEU A 115 12.102 6.240 11.438 1.00 0.00 C ATOM 0 H LEU A 115 13.584 7.653 10.635 1.00 0.00 H new ATOM 0 HA LEU A 115 13.655 10.042 12.197 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.957 8.953 13.572 1.00 0.00 H new ATOM 0 HB3 LEU A 115 11.577 8.838 11.865 1.00 0.00 H new ATOM 0 HG LEU A 115 12.838 6.562 13.416 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.555 5.590 13.559 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.677 7.127 14.449 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.888 7.082 12.855 1.00 0.00 H new ATOM 0 HD21 LEU A 115 11.944 5.171 11.581 1.00 0.00 H new ATOM 0 HD22 LEU A 115 11.329 6.636 10.780 1.00 0.00 H new ATOM 0 HD23 LEU A 115 13.081 6.405 10.988 1.00 0.00 H new ATOM 1760 N GLU A 116 15.800 9.324 13.437 1.00 0.00 N ATOM 1761 CA GLU A 116 16.805 9.180 14.494 1.00 0.00 C ATOM 1762 C GLU A 116 16.317 9.831 15.791 1.00 0.00 C ATOM 1763 O GLU A 116 16.385 9.239 16.873 1.00 0.00 O ATOM 1764 CB GLU A 116 18.125 9.837 14.054 1.00 0.00 C ATOM 1765 CG GLU A 116 19.211 9.839 15.127 1.00 0.00 C ATOM 1766 CD GLU A 116 20.444 10.629 14.712 1.00 0.00 C ATOM 1767 OE1 GLU A 116 21.233 10.120 13.889 1.00 0.00 O ATOM 1768 OE2 GLU A 116 20.627 11.766 15.198 1.00 0.00 O ATOM 0 H GLU A 116 16.040 10.016 12.727 1.00 0.00 H new ATOM 0 HA GLU A 116 16.969 8.117 14.673 1.00 0.00 H new ATOM 0 HB2 GLU A 116 18.501 9.316 13.173 1.00 0.00 H new ATOM 0 HB3 GLU A 116 17.924 10.866 13.755 1.00 0.00 H new ATOM 0 HG2 GLU A 116 18.807 10.261 16.047 1.00 0.00 H new ATOM 0 HG3 GLU A 116 19.500 8.811 15.348 1.00 0.00 H new TER 1775 GLU A 116