USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.861 USER MOD Single : A 18 LYS NZ :NH3+ 161:sc= 0.624 (180deg=0.434) USER MOD Single : A 25 SER OG : rot -30:sc= -1.27 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.493 X(o=-0.49,f=-0.011) USER MOD Single : A 48 ASN : amide:sc= -3 K(o=-3,f=-7.6!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 64:sc= 0.0713 USER MOD Single : A 55 GLN : amide:sc= -5.46! C(o=-5.5!,f=-10!) USER MOD Single : A 56 SER OG : rot -160:sc= -1.12 USER MOD Single : A 58 GLN : amide:sc= -6.8! C(o=-6.8!,f=-4.7!) USER MOD Single : A 59 LYS NZ :NH3+ 152:sc= -0.292 (180deg=-1.36!) USER MOD Single : A 63 SER OG : rot -55:sc= -1.36 USER MOD Single : A 75 SER OG : rot -41:sc= 1.07 USER MOD Single : A 92 SER OG : rot 180:sc= -2.51 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.581 14.467 -1.453 1.00 0.00 N ATOM 2 CA ALA A 1 -12.737 13.261 -1.624 1.00 0.00 C ATOM 3 C ALA A 1 -12.777 12.743 -3.055 1.00 0.00 C ATOM 4 O ALA A 1 -13.333 11.680 -3.328 1.00 0.00 O ATOM 5 CB ALA A 1 -13.160 12.170 -0.651 1.00 0.00 C ATOM 0 H1 ALA A 1 -13.528 14.790 -0.466 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.241 15.221 -2.083 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.567 14.237 -1.690 1.00 0.00 H new ATOM 0 HA ALA A 1 -11.708 13.548 -1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.529 11.292 -0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -13.054 12.533 0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -14.200 11.902 -0.835 1.00 0.00 H new ATOM 13 N VAL A 2 -12.172 13.500 -3.963 1.00 0.00 N ATOM 14 CA VAL A 2 -12.121 13.124 -5.368 1.00 0.00 C ATOM 15 C VAL A 2 -10.986 12.139 -5.644 1.00 0.00 C ATOM 16 O VAL A 2 -9.843 12.355 -5.237 1.00 0.00 O ATOM 17 CB VAL A 2 -11.939 14.359 -6.268 1.00 0.00 C ATOM 18 CG1 VAL A 2 -13.218 15.183 -6.302 1.00 0.00 C ATOM 19 CG2 VAL A 2 -10.761 15.200 -5.792 1.00 0.00 C ATOM 0 H VAL A 2 -11.708 14.382 -3.748 1.00 0.00 H new ATOM 0 HA VAL A 2 -13.072 12.645 -5.598 1.00 0.00 H new ATOM 0 HB VAL A 2 -11.724 14.022 -7.282 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -13.073 16.053 -6.943 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.033 14.574 -6.695 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -13.465 15.513 -5.293 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.648 16.069 -6.441 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -10.941 15.532 -4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.850 14.602 -5.825 1.00 0.00 H new ATOM 29 N LEU A 3 -11.321 11.047 -6.321 1.00 0.00 N ATOM 30 CA LEU A 3 -10.373 10.014 -6.652 1.00 0.00 C ATOM 31 C LEU A 3 -9.447 10.423 -7.779 1.00 0.00 C ATOM 32 O LEU A 3 -9.665 11.431 -8.449 1.00 0.00 O ATOM 33 CB LEU A 3 -11.130 8.752 -7.075 1.00 0.00 C ATOM 34 CG LEU A 3 -11.264 7.678 -6.004 1.00 0.00 C ATOM 35 CD1 LEU A 3 -10.226 7.899 -4.934 1.00 0.00 C ATOM 36 CD2 LEU A 3 -12.664 7.660 -5.411 1.00 0.00 C ATOM 0 H LEU A 3 -12.267 10.861 -6.654 1.00 0.00 H new ATOM 0 HA LEU A 3 -9.766 9.831 -5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -12.129 9.041 -7.402 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.625 8.319 -7.938 1.00 0.00 H new ATOM 0 HG LEU A 3 -11.097 6.704 -6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -10.323 7.129 -4.168 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -9.231 7.847 -5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.372 8.880 -4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.727 6.882 -4.650 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -12.880 8.628 -4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -13.390 7.456 -6.198 1.00 0.00 H new ATOM 48 N ASP A 4 -8.427 9.600 -8.006 1.00 0.00 N ATOM 49 CA ASP A 4 -7.493 9.849 -9.073 1.00 0.00 C ATOM 50 C ASP A 4 -8.129 9.397 -10.375 1.00 0.00 C ATOM 51 O ASP A 4 -8.596 10.206 -11.177 1.00 0.00 O ATOM 52 CB ASP A 4 -6.165 9.129 -8.847 1.00 0.00 C ATOM 53 CG ASP A 4 -5.100 9.530 -9.842 1.00 0.00 C ATOM 54 OD1 ASP A 4 -4.471 10.589 -9.640 1.00 0.00 O ATOM 55 OD2 ASP A 4 -4.884 8.779 -10.816 1.00 0.00 O ATOM 0 H ASP A 4 -8.236 8.760 -7.461 1.00 0.00 H new ATOM 0 HA ASP A 4 -7.269 10.915 -9.108 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.810 9.340 -7.838 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.326 8.053 -8.909 1.00 0.00 H new ATOM 60 N LEU A 5 -8.182 8.085 -10.540 1.00 0.00 N ATOM 61 CA LEU A 5 -8.803 7.466 -11.693 1.00 0.00 C ATOM 62 C LEU A 5 -10.308 7.498 -11.518 1.00 0.00 C ATOM 63 O LEU A 5 -10.884 8.536 -11.205 1.00 0.00 O ATOM 64 CB LEU A 5 -8.337 6.011 -11.827 1.00 0.00 C ATOM 65 CG LEU A 5 -8.997 4.986 -10.883 1.00 0.00 C ATOM 66 CD1 LEU A 5 -8.078 3.823 -10.686 1.00 0.00 C ATOM 67 CD2 LEU A 5 -9.374 5.592 -9.537 1.00 0.00 C ATOM 0 H LEU A 5 -7.793 7.419 -9.873 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.519 8.012 -12.592 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.512 5.690 -12.854 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.260 5.982 -11.663 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.923 4.654 -11.352 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -8.545 3.099 -10.019 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.876 3.352 -11.648 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.142 4.169 -10.248 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.835 4.828 -8.910 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -8.479 5.973 -9.046 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.079 6.409 -9.690 1.00 0.00 H new ATOM 79 N ASP A 6 -10.925 6.331 -11.633 1.00 0.00 N ATOM 80 CA ASP A 6 -12.313 6.196 -11.402 1.00 0.00 C ATOM 81 C ASP A 6 -12.526 6.014 -9.909 1.00 0.00 C ATOM 82 O ASP A 6 -12.929 6.940 -9.205 1.00 0.00 O ATOM 83 CB ASP A 6 -12.870 5.005 -12.185 1.00 0.00 C ATOM 84 CG ASP A 6 -14.241 5.283 -12.764 1.00 0.00 C ATOM 85 OD1 ASP A 6 -15.234 5.158 -12.018 1.00 0.00 O ATOM 86 OD2 ASP A 6 -14.322 5.625 -13.962 1.00 0.00 O ATOM 0 H ASP A 6 -10.456 5.463 -11.891 1.00 0.00 H new ATOM 0 HA ASP A 6 -12.843 7.086 -11.743 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -12.183 4.751 -12.992 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.925 4.137 -11.529 1.00 0.00 H new ATOM 91 N VAL A 7 -12.251 4.805 -9.438 1.00 0.00 N ATOM 92 CA VAL A 7 -12.407 4.483 -8.025 1.00 0.00 C ATOM 93 C VAL A 7 -11.143 3.979 -7.280 1.00 0.00 C ATOM 94 O VAL A 7 -11.004 2.776 -7.061 1.00 0.00 O ATOM 95 CB VAL A 7 -13.526 3.450 -7.862 1.00 0.00 C ATOM 96 CG1 VAL A 7 -14.805 3.972 -8.491 1.00 0.00 C ATOM 97 CG2 VAL A 7 -13.129 2.125 -8.491 1.00 0.00 C ATOM 0 H VAL A 7 -11.919 4.031 -10.013 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.642 5.438 -7.555 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.696 3.283 -6.798 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -15.597 3.233 -8.372 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.099 4.901 -8.001 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -14.639 4.158 -9.552 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -13.938 1.405 -8.364 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -12.936 2.270 -9.554 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -12.228 1.748 -8.007 1.00 0.00 H new ATOM 107 N ARG A 8 -10.262 4.871 -6.826 1.00 0.00 N ATOM 108 CA ARG A 8 -9.103 4.475 -6.060 1.00 0.00 C ATOM 109 C ARG A 8 -9.444 4.326 -4.579 1.00 0.00 C ATOM 110 O ARG A 8 -10.615 4.313 -4.200 1.00 0.00 O ATOM 111 CB ARG A 8 -8.001 5.491 -6.239 1.00 0.00 C ATOM 112 CG ARG A 8 -7.151 5.168 -7.430 1.00 0.00 C ATOM 113 CD ARG A 8 -6.015 6.136 -7.580 1.00 0.00 C ATOM 114 NE ARG A 8 -4.875 5.564 -8.290 1.00 0.00 N ATOM 115 CZ ARG A 8 -4.712 5.619 -9.610 1.00 0.00 C ATOM 116 NH1 ARG A 8 -5.616 6.207 -10.375 1.00 0.00 N ATOM 117 NH2 ARG A 8 -3.640 5.081 -10.166 1.00 0.00 N ATOM 0 H ARG A 8 -10.339 5.876 -6.982 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.766 3.505 -6.426 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.435 6.484 -6.358 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.380 5.519 -5.343 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.757 4.157 -7.332 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.765 5.185 -8.331 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.364 7.019 -8.115 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -5.693 6.468 -6.593 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.158 5.092 -7.740 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.447 6.623 -9.955 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.483 6.244 -11.386 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -2.938 4.624 -9.584 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.515 5.123 -11.177 1.00 0.00 H new ATOM 131 N THR A 9 -8.411 4.210 -3.746 1.00 0.00 N ATOM 132 CA THR A 9 -8.597 4.059 -2.318 1.00 0.00 C ATOM 133 C THR A 9 -7.312 4.352 -1.539 1.00 0.00 C ATOM 134 O THR A 9 -6.608 3.431 -1.125 1.00 0.00 O ATOM 135 CB THR A 9 -9.079 2.652 -2.013 1.00 0.00 C ATOM 136 OG1 THR A 9 -9.527 1.999 -3.188 1.00 0.00 O ATOM 137 CG2 THR A 9 -10.202 2.615 -1.010 1.00 0.00 C ATOM 0 H THR A 9 -7.436 4.219 -4.045 1.00 0.00 H new ATOM 0 HA THR A 9 -9.345 4.785 -2.000 1.00 0.00 H new ATOM 0 HB THR A 9 -8.215 2.140 -1.590 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.830 1.094 -2.964 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.500 1.581 -0.836 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.867 3.059 -0.072 1.00 0.00 H new ATOM 0 HG23 THR A 9 -11.052 3.178 -1.395 1.00 0.00 H new ATOM 145 N CYS A 10 -7.012 5.636 -1.326 1.00 0.00 N ATOM 146 CA CYS A 10 -5.808 6.020 -0.586 1.00 0.00 C ATOM 147 C CYS A 10 -6.052 5.983 0.920 1.00 0.00 C ATOM 148 O CYS A 10 -6.658 6.894 1.483 1.00 0.00 O ATOM 149 CB CYS A 10 -5.317 7.410 -1.009 1.00 0.00 C ATOM 150 SG CYS A 10 -6.445 8.801 -0.637 1.00 0.00 S ATOM 0 H CYS A 10 -7.579 6.419 -1.651 1.00 0.00 H new ATOM 0 HA CYS A 10 -5.032 5.293 -0.827 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.362 7.601 -0.520 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -5.129 7.397 -2.083 1.00 0.00 H new ATOM 155 N LEU A 11 -5.574 4.915 1.563 1.00 0.00 N ATOM 156 CA LEU A 11 -5.730 4.739 3.007 1.00 0.00 C ATOM 157 C LEU A 11 -4.371 4.470 3.664 1.00 0.00 C ATOM 158 O LEU A 11 -3.882 3.338 3.671 1.00 0.00 O ATOM 159 CB LEU A 11 -6.693 3.584 3.298 1.00 0.00 C ATOM 160 CG LEU A 11 -8.137 3.989 3.613 1.00 0.00 C ATOM 161 CD1 LEU A 11 -8.773 4.720 2.441 1.00 0.00 C ATOM 162 CD2 LEU A 11 -8.953 2.764 3.969 1.00 0.00 C ATOM 0 H LEU A 11 -5.073 4.155 1.102 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.143 5.657 3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.702 2.916 2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.303 3.013 4.140 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.120 4.670 4.464 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.797 4.994 2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.200 5.621 2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.778 4.070 1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.978 3.061 4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.951 2.069 3.129 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.518 2.279 4.843 1.00 0.00 H new ATOM 174 N PRO A 12 -3.728 5.521 4.204 1.00 0.00 N ATOM 175 CA PRO A 12 -2.413 5.407 4.838 1.00 0.00 C ATOM 176 C PRO A 12 -2.294 4.270 5.846 1.00 0.00 C ATOM 177 O PRO A 12 -3.278 3.619 6.205 1.00 0.00 O ATOM 178 CB PRO A 12 -2.240 6.738 5.558 1.00 0.00 C ATOM 179 CG PRO A 12 -3.094 7.702 4.821 1.00 0.00 C ATOM 180 CD PRO A 12 -4.224 6.912 4.212 1.00 0.00 C ATOM 0 HA PRO A 12 -1.655 5.186 4.086 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.545 6.662 6.602 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.197 7.054 5.553 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.478 8.469 5.493 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.520 8.213 4.048 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.138 7.006 4.799 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.455 7.259 3.205 1.00 0.00 H new ATOM 188 N CYS A 13 -1.061 4.075 6.311 1.00 0.00 N ATOM 189 CA CYS A 13 -0.731 3.056 7.282 1.00 0.00 C ATOM 190 C CYS A 13 0.591 3.393 7.958 1.00 0.00 C ATOM 191 O CYS A 13 1.130 4.486 7.774 1.00 0.00 O ATOM 192 CB CYS A 13 -0.637 1.687 6.612 1.00 0.00 C ATOM 193 SG CYS A 13 -0.768 0.280 7.754 1.00 0.00 S ATOM 0 H CYS A 13 -0.260 4.632 6.015 1.00 0.00 H new ATOM 0 HA CYS A 13 -1.521 3.023 8.032 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -1.426 1.607 5.865 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.313 1.621 6.081 1.00 0.00 H new ATOM 198 N GLY A 14 1.129 2.446 8.714 1.00 0.00 N ATOM 199 CA GLY A 14 2.397 2.661 9.367 1.00 0.00 C ATOM 200 C GLY A 14 2.415 3.878 10.261 1.00 0.00 C ATOM 201 O GLY A 14 1.438 4.177 10.947 1.00 0.00 O ATOM 0 H GLY A 14 0.707 1.533 8.885 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.645 1.781 9.960 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.174 2.765 8.610 1.00 0.00 H new ATOM 205 N PRO A 15 3.547 4.581 10.280 1.00 0.00 N ATOM 206 CA PRO A 15 3.757 5.767 11.105 1.00 0.00 C ATOM 207 C PRO A 15 3.269 7.046 10.427 1.00 0.00 C ATOM 208 O PRO A 15 3.998 7.669 9.656 1.00 0.00 O ATOM 209 CB PRO A 15 5.274 5.753 11.241 1.00 0.00 C ATOM 210 CG PRO A 15 5.733 5.303 9.904 1.00 0.00 C ATOM 211 CD PRO A 15 4.752 4.240 9.504 1.00 0.00 C ATOM 0 HA PRO A 15 3.211 5.751 12.048 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.665 6.740 11.489 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.601 5.074 12.028 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.739 6.126 9.189 1.00 0.00 H new ATOM 0 HG3 PRO A 15 6.749 4.910 9.945 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.557 4.255 8.432 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.118 3.243 9.747 1.00 0.00 H new ATOM 219 N GLY A 16 2.024 7.423 10.716 1.00 0.00 N ATOM 220 CA GLY A 16 1.448 8.617 10.121 1.00 0.00 C ATOM 221 C GLY A 16 0.641 8.291 8.880 1.00 0.00 C ATOM 222 O GLY A 16 -0.587 8.372 8.883 1.00 0.00 O ATOM 0 H GLY A 16 1.404 6.921 11.352 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.809 9.115 10.850 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.244 9.316 9.864 1.00 0.00 H new ATOM 226 N GLY A 17 1.340 7.894 7.827 1.00 0.00 N ATOM 227 CA GLY A 17 0.700 7.527 6.588 1.00 0.00 C ATOM 228 C GLY A 17 1.699 7.174 5.517 1.00 0.00 C ATOM 229 O GLY A 17 1.472 7.399 4.328 1.00 0.00 O ATOM 0 H GLY A 17 2.357 7.820 7.814 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.038 6.678 6.760 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.077 8.352 6.244 1.00 0.00 H new ATOM 233 N LYS A 18 2.806 6.618 5.958 1.00 0.00 N ATOM 234 CA LYS A 18 3.876 6.212 5.090 1.00 0.00 C ATOM 235 C LYS A 18 3.473 4.985 4.306 1.00 0.00 C ATOM 236 O LYS A 18 3.807 4.828 3.132 1.00 0.00 O ATOM 237 CB LYS A 18 5.101 5.924 5.941 1.00 0.00 C ATOM 238 CG LYS A 18 6.076 7.068 6.022 1.00 0.00 C ATOM 239 CD LYS A 18 5.359 8.394 5.968 1.00 0.00 C ATOM 240 CE LYS A 18 6.318 9.563 6.117 1.00 0.00 C ATOM 241 NZ LYS A 18 6.701 10.139 4.796 1.00 0.00 N ATOM 0 H LYS A 18 2.985 6.435 6.945 1.00 0.00 H new ATOM 0 HA LYS A 18 4.103 7.005 4.378 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.777 5.665 6.949 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.614 5.051 5.537 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.649 6.998 6.947 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.789 7.002 5.200 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.826 8.480 5.021 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.611 8.435 6.760 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.855 10.336 6.730 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.214 9.233 6.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.078 11.099 4.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.428 9.541 4.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.865 10.179 4.179 1.00 0.00 H new ATOM 255 N GLY A 19 2.731 4.135 4.976 1.00 0.00 N ATOM 256 CA GLY A 19 2.237 2.937 4.375 1.00 0.00 C ATOM 257 C GLY A 19 0.743 3.014 4.161 1.00 0.00 C ATOM 258 O GLY A 19 0.146 4.085 4.273 1.00 0.00 O ATOM 0 H GLY A 19 2.458 4.262 5.951 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.737 2.772 3.420 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.473 2.083 5.010 1.00 0.00 H new ATOM 262 N ARG A 20 0.142 1.885 3.856 1.00 0.00 N ATOM 263 CA ARG A 20 -1.275 1.810 3.623 1.00 0.00 C ATOM 264 C ARG A 20 -1.723 0.356 3.687 1.00 0.00 C ATOM 265 O ARG A 20 -0.905 -0.539 3.898 1.00 0.00 O ATOM 266 CB ARG A 20 -1.585 2.430 2.281 1.00 0.00 C ATOM 267 CG ARG A 20 -0.917 1.710 1.151 1.00 0.00 C ATOM 268 CD ARG A 20 -1.730 1.808 -0.113 1.00 0.00 C ATOM 269 NE ARG A 20 -1.044 2.567 -1.148 1.00 0.00 N ATOM 270 CZ ARG A 20 -1.632 2.990 -2.261 1.00 0.00 C ATOM 271 NH1 ARG A 20 -2.910 2.718 -2.489 1.00 0.00 N ATOM 272 NH2 ARG A 20 -0.943 3.687 -3.146 1.00 0.00 N ATOM 0 H ARG A 20 0.628 0.993 3.763 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.819 2.361 4.390 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.663 2.427 2.123 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.266 3.472 2.283 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.074 2.132 0.983 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.777 0.662 1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.947 0.806 -0.483 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.687 2.280 0.108 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.057 2.786 -1.011 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.447 2.181 -1.808 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.356 3.046 -3.346 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.040 3.900 -2.974 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.393 4.012 -4.001 1.00 0.00 H new ATOM 286 N CYS A 21 -3.007 0.117 3.482 1.00 0.00 N ATOM 287 CA CYS A 21 -3.532 -1.242 3.504 1.00 0.00 C ATOM 288 C CYS A 21 -3.341 -1.908 2.152 1.00 0.00 C ATOM 289 O CYS A 21 -3.211 -1.228 1.135 1.00 0.00 O ATOM 290 CB CYS A 21 -4.991 -1.234 3.886 1.00 0.00 C ATOM 291 SG CYS A 21 -5.792 -2.869 3.872 1.00 0.00 S ATOM 0 H CYS A 21 -3.703 0.840 3.299 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.981 -1.814 4.250 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.089 -0.806 4.883 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.528 -0.576 3.202 1.00 0.00 H new ATOM 296 N PHE A 22 -3.297 -3.237 2.135 1.00 0.00 N ATOM 297 CA PHE A 22 -3.093 -3.949 0.879 1.00 0.00 C ATOM 298 C PHE A 22 -3.900 -5.241 0.776 1.00 0.00 C ATOM 299 O PHE A 22 -3.733 -5.994 -0.184 1.00 0.00 O ATOM 300 CB PHE A 22 -1.607 -4.232 0.685 1.00 0.00 C ATOM 301 CG PHE A 22 -0.800 -2.987 0.521 1.00 0.00 C ATOM 302 CD1 PHE A 22 -0.520 -2.184 1.612 1.00 0.00 C ATOM 303 CD2 PHE A 22 -0.330 -2.614 -0.722 1.00 0.00 C ATOM 304 CE1 PHE A 22 0.218 -1.032 1.459 1.00 0.00 C ATOM 305 CE2 PHE A 22 0.404 -1.460 -0.879 1.00 0.00 C ATOM 306 CZ PHE A 22 0.683 -0.671 0.214 1.00 0.00 C ATOM 0 H PHE A 22 -3.397 -3.832 2.958 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.458 -3.300 0.083 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.233 -4.792 1.542 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.473 -4.865 -0.192 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -0.883 -2.463 2.590 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.540 -3.234 -1.581 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.432 -0.411 2.316 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.760 -1.174 -1.858 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.266 0.230 0.095 1.00 0.00 H new ATOM 316 N GLY A 23 -4.799 -5.494 1.725 1.00 0.00 N ATOM 317 CA GLY A 23 -5.606 -6.694 1.627 1.00 0.00 C ATOM 318 C GLY A 23 -6.032 -7.303 2.955 1.00 0.00 C ATOM 319 O GLY A 23 -6.984 -6.832 3.578 1.00 0.00 O ATOM 0 H GLY A 23 -4.979 -4.906 2.539 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.501 -6.464 1.048 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.047 -7.443 1.066 1.00 0.00 H new ATOM 323 N PRO A 24 -5.377 -8.399 3.385 1.00 0.00 N ATOM 324 CA PRO A 24 -5.715 -9.121 4.600 1.00 0.00 C ATOM 325 C PRO A 24 -4.731 -8.882 5.736 1.00 0.00 C ATOM 326 O PRO A 24 -3.619 -9.411 5.720 1.00 0.00 O ATOM 327 CB PRO A 24 -5.592 -10.551 4.093 1.00 0.00 C ATOM 328 CG PRO A 24 -4.399 -10.510 3.186 1.00 0.00 C ATOM 329 CD PRO A 24 -4.273 -9.081 2.696 1.00 0.00 C ATOM 0 HA PRO A 24 -6.678 -8.835 5.024 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.447 -11.255 4.913 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.489 -10.864 3.559 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.498 -10.818 3.717 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.526 -11.196 2.349 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.307 -8.649 2.955 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.371 -9.015 1.612 1.00 0.00 H new ATOM 337 N SER A 25 -5.130 -8.083 6.723 1.00 0.00 N ATOM 338 CA SER A 25 -4.253 -7.795 7.854 1.00 0.00 C ATOM 339 C SER A 25 -2.902 -7.304 7.369 1.00 0.00 C ATOM 340 O SER A 25 -1.917 -7.371 8.098 1.00 0.00 O ATOM 341 CB SER A 25 -4.029 -9.062 8.680 1.00 0.00 C ATOM 342 OG SER A 25 -3.793 -8.749 10.041 1.00 0.00 O ATOM 0 H SER A 25 -6.043 -7.629 6.763 1.00 0.00 H new ATOM 0 HA SER A 25 -4.731 -7.026 8.461 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.901 -9.711 8.599 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.180 -9.616 8.279 1.00 0.00 H new ATOM 0 HG SER A 25 -3.358 -7.873 10.105 1.00 0.00 H new ATOM 348 N ILE A 26 -2.844 -6.850 6.127 1.00 0.00 N ATOM 349 CA ILE A 26 -1.589 -6.418 5.561 1.00 0.00 C ATOM 350 C ILE A 26 -1.486 -4.909 5.392 1.00 0.00 C ATOM 351 O ILE A 26 -2.479 -4.196 5.234 1.00 0.00 O ATOM 352 CB ILE A 26 -1.344 -7.112 4.208 1.00 0.00 C ATOM 353 CG1 ILE A 26 0.111 -7.510 4.063 1.00 0.00 C ATOM 354 CG2 ILE A 26 -1.746 -6.218 3.056 1.00 0.00 C ATOM 355 CD1 ILE A 26 0.318 -8.571 2.996 1.00 0.00 C ATOM 0 H ILE A 26 -3.646 -6.774 5.502 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.819 -6.707 6.276 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.961 -8.010 4.184 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.703 -6.629 3.815 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.480 -7.883 5.019 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.562 -6.734 2.114 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.806 -5.976 3.136 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.160 -5.299 3.087 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.377 -8.821 2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.250 -9.464 3.256 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.024 -8.191 2.033 1.00 0.00 H new ATOM 367 N CYS A 27 -0.243 -4.470 5.413 1.00 0.00 N ATOM 368 CA CYS A 27 0.143 -3.093 5.259 1.00 0.00 C ATOM 369 C CYS A 27 1.607 -3.072 4.856 1.00 0.00 C ATOM 370 O CYS A 27 2.397 -3.865 5.370 1.00 0.00 O ATOM 371 CB CYS A 27 -0.049 -2.386 6.565 1.00 0.00 C ATOM 372 SG CYS A 27 -1.449 -1.230 6.597 1.00 0.00 S ATOM 0 H CYS A 27 0.554 -5.094 5.544 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.460 -2.592 4.501 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.190 -3.130 7.349 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.863 -1.839 6.805 1.00 0.00 H new ATOM 377 N CYS A 28 1.979 -2.228 3.920 1.00 0.00 N ATOM 378 CA CYS A 28 3.321 -2.216 3.471 1.00 0.00 C ATOM 379 C CYS A 28 3.756 -0.825 3.056 1.00 0.00 C ATOM 380 O CYS A 28 3.292 -0.302 2.041 1.00 0.00 O ATOM 381 CB CYS A 28 3.401 -3.190 2.332 1.00 0.00 C ATOM 382 SG CYS A 28 3.529 -4.932 2.866 1.00 0.00 S ATOM 0 H CYS A 28 1.364 -1.552 3.468 1.00 0.00 H new ATOM 0 HA CYS A 28 4.001 -2.507 4.271 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.517 -3.075 1.704 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.265 -2.944 1.714 1.00 0.00 H new ATOM 387 N GLY A 29 4.640 -0.219 3.836 1.00 0.00 N ATOM 388 CA GLY A 29 5.103 1.077 3.505 1.00 0.00 C ATOM 389 C GLY A 29 6.339 0.992 2.641 1.00 0.00 C ATOM 390 O GLY A 29 7.251 0.238 2.970 1.00 0.00 O ATOM 0 H GLY A 29 5.034 -0.617 4.689 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.322 1.626 2.979 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.326 1.634 4.415 1.00 0.00 H new ATOM 394 N ASP A 30 6.384 1.725 1.525 1.00 0.00 N ATOM 395 CA ASP A 30 7.542 1.657 0.636 1.00 0.00 C ATOM 396 C ASP A 30 8.787 2.069 1.396 1.00 0.00 C ATOM 397 O ASP A 30 9.691 1.264 1.620 1.00 0.00 O ATOM 398 CB ASP A 30 7.348 2.573 -0.571 1.00 0.00 C ATOM 399 CG ASP A 30 8.244 2.194 -1.733 1.00 0.00 C ATOM 400 OD1 ASP A 30 8.243 1.008 -2.121 1.00 0.00 O ATOM 401 OD2 ASP A 30 8.949 3.085 -2.253 1.00 0.00 O ATOM 0 H ASP A 30 5.646 2.360 1.221 1.00 0.00 H new ATOM 0 HA ASP A 30 7.651 0.633 0.279 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.307 2.533 -0.890 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.552 3.603 -0.279 1.00 0.00 H new ATOM 406 N GLU A 31 8.795 3.305 1.847 1.00 0.00 N ATOM 407 CA GLU A 31 9.877 3.815 2.654 1.00 0.00 C ATOM 408 C GLU A 31 9.744 3.250 4.069 1.00 0.00 C ATOM 409 O GLU A 31 10.515 3.582 4.968 1.00 0.00 O ATOM 410 CB GLU A 31 9.787 5.333 2.713 1.00 0.00 C ATOM 411 CG GLU A 31 8.492 5.817 3.351 1.00 0.00 C ATOM 412 CD GLU A 31 8.729 6.907 4.374 1.00 0.00 C ATOM 413 OE1 GLU A 31 8.921 6.573 5.562 1.00 0.00 O ATOM 414 OE2 GLU A 31 8.711 8.094 3.990 1.00 0.00 O ATOM 0 H GLU A 31 8.053 3.981 1.664 1.00 0.00 H new ATOM 0 HA GLU A 31 10.834 3.522 2.222 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.634 5.722 3.278 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.864 5.738 1.704 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.824 6.189 2.574 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.988 4.977 3.829 1.00 0.00 H new ATOM 421 N LEU A 32 8.690 2.455 4.250 1.00 0.00 N ATOM 422 CA LEU A 32 8.326 1.879 5.528 1.00 0.00 C ATOM 423 C LEU A 32 8.192 0.349 5.442 1.00 0.00 C ATOM 424 O LEU A 32 7.409 -0.263 6.151 1.00 0.00 O ATOM 425 CB LEU A 32 7.023 2.580 5.913 1.00 0.00 C ATOM 426 CG LEU A 32 6.339 2.220 7.228 1.00 0.00 C ATOM 427 CD1 LEU A 32 5.073 1.444 6.927 1.00 0.00 C ATOM 428 CD2 LEU A 32 7.252 1.459 8.189 1.00 0.00 C ATOM 0 H LEU A 32 8.058 2.193 3.493 1.00 0.00 H new ATOM 0 HA LEU A 32 9.090 2.033 6.290 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.221 3.652 5.930 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.306 2.401 5.112 1.00 0.00 H new ATOM 0 HG LEU A 32 6.088 3.146 7.745 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.576 1.182 7.861 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.406 2.057 6.321 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.325 0.534 6.382 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.707 1.232 9.105 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.579 0.530 7.722 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.122 2.071 8.426 1.00 0.00 H new ATOM 440 N GLY A 33 8.987 -0.253 4.562 1.00 0.00 N ATOM 441 CA GLY A 33 8.994 -1.707 4.382 1.00 0.00 C ATOM 442 C GLY A 33 7.621 -2.363 4.407 1.00 0.00 C ATOM 443 O GLY A 33 6.598 -1.681 4.469 1.00 0.00 O ATOM 0 H GLY A 33 9.640 0.245 3.957 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.474 -1.938 3.431 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.608 -2.152 5.165 1.00 0.00 H new ATOM 447 N CYS A 34 7.607 -3.700 4.301 1.00 0.00 N ATOM 448 CA CYS A 34 6.359 -4.469 4.251 1.00 0.00 C ATOM 449 C CYS A 34 5.964 -5.095 5.590 1.00 0.00 C ATOM 450 O CYS A 34 6.802 -5.629 6.314 1.00 0.00 O ATOM 451 CB CYS A 34 6.496 -5.583 3.209 1.00 0.00 C ATOM 452 SG CYS A 34 5.184 -5.644 1.944 1.00 0.00 S ATOM 0 H CYS A 34 8.450 -4.271 4.248 1.00 0.00 H new ATOM 0 HA CYS A 34 5.572 -3.763 3.987 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.456 -5.469 2.706 1.00 0.00 H new ATOM 0 HB3 CYS A 34 6.520 -6.541 3.728 1.00 0.00 H new ATOM 457 N PHE A 35 4.658 -5.062 5.875 1.00 0.00 N ATOM 458 CA PHE A 35 4.096 -5.666 7.090 1.00 0.00 C ATOM 459 C PHE A 35 2.891 -6.550 6.761 1.00 0.00 C ATOM 460 O PHE A 35 2.076 -6.205 5.905 1.00 0.00 O ATOM 461 CB PHE A 35 3.629 -4.595 8.072 1.00 0.00 C ATOM 462 CG PHE A 35 4.682 -3.603 8.428 1.00 0.00 C ATOM 463 CD1 PHE A 35 4.950 -2.547 7.588 1.00 0.00 C ATOM 464 CD2 PHE A 35 5.401 -3.721 9.606 1.00 0.00 C ATOM 465 CE1 PHE A 35 5.916 -1.627 7.908 1.00 0.00 C ATOM 466 CE2 PHE A 35 6.372 -2.796 9.932 1.00 0.00 C ATOM 467 CZ PHE A 35 6.626 -1.744 9.079 1.00 0.00 C ATOM 0 H PHE A 35 3.963 -4.619 5.274 1.00 0.00 H new ATOM 0 HA PHE A 35 4.890 -6.264 7.536 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.777 -4.068 7.642 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.277 -5.079 8.983 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.395 -2.441 6.668 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.200 -4.544 10.275 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.120 -0.806 7.236 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.930 -2.896 10.851 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.381 -1.013 9.330 1.00 0.00 H new ATOM 477 N VAL A 36 2.749 -7.658 7.481 1.00 0.00 N ATOM 478 CA VAL A 36 1.602 -8.543 7.302 1.00 0.00 C ATOM 479 C VAL A 36 1.167 -9.100 8.638 1.00 0.00 C ATOM 480 O VAL A 36 1.935 -9.774 9.325 1.00 0.00 O ATOM 481 CB VAL A 36 1.847 -9.722 6.355 1.00 0.00 C ATOM 482 CG1 VAL A 36 0.505 -10.267 5.862 1.00 0.00 C ATOM 483 CG2 VAL A 36 2.749 -9.318 5.200 1.00 0.00 C ATOM 0 H VAL A 36 3.412 -7.965 8.193 1.00 0.00 H new ATOM 0 HA VAL A 36 0.832 -7.920 6.847 1.00 0.00 H new ATOM 0 HB VAL A 36 2.364 -10.514 6.896 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.678 -11.106 5.188 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.087 -10.602 6.714 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.034 -9.482 5.332 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.906 -10.174 4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.280 -8.511 4.637 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.709 -8.979 5.589 1.00 0.00 H new ATOM 493 N GLY A 37 -0.066 -8.810 9.002 1.00 0.00 N ATOM 494 CA GLY A 37 -0.591 -9.280 10.271 1.00 0.00 C ATOM 495 C GLY A 37 0.161 -8.697 11.463 1.00 0.00 C ATOM 496 O GLY A 37 -0.098 -9.069 12.608 1.00 0.00 O ATOM 0 H GLY A 37 -0.718 -8.257 8.445 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.646 -9.015 10.345 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.533 -10.368 10.305 1.00 0.00 H new ATOM 500 N THR A 38 1.094 -7.780 11.189 1.00 0.00 N ATOM 501 CA THR A 38 1.891 -7.136 12.229 1.00 0.00 C ATOM 502 C THR A 38 1.159 -5.903 12.763 1.00 0.00 C ATOM 503 O THR A 38 0.071 -5.568 12.296 1.00 0.00 O ATOM 504 CB THR A 38 3.260 -6.736 11.652 1.00 0.00 C ATOM 505 OG1 THR A 38 3.758 -7.755 10.801 1.00 0.00 O ATOM 506 CG2 THR A 38 4.329 -6.461 12.693 1.00 0.00 C ATOM 0 H THR A 38 1.315 -7.467 10.244 1.00 0.00 H new ATOM 0 HA THR A 38 2.041 -7.833 13.053 1.00 0.00 H new ATOM 0 HB THR A 38 3.067 -5.807 11.115 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.628 -7.484 10.441 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.259 -6.187 12.196 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.007 -5.643 13.338 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.490 -7.356 13.295 1.00 0.00 H new ATOM 514 N ALA A 39 1.770 -5.227 13.731 1.00 0.00 N ATOM 515 CA ALA A 39 1.193 -4.031 14.326 1.00 0.00 C ATOM 516 C ALA A 39 1.005 -2.923 13.295 1.00 0.00 C ATOM 517 O ALA A 39 -0.091 -2.396 13.136 1.00 0.00 O ATOM 518 CB ALA A 39 2.074 -3.546 15.465 1.00 0.00 C ATOM 0 H ALA A 39 2.674 -5.493 14.122 1.00 0.00 H new ATOM 0 HA ALA A 39 0.207 -4.290 14.713 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.637 -2.650 15.907 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.150 -4.325 16.224 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.068 -3.314 15.083 1.00 0.00 H new ATOM 524 N GLU A 40 2.080 -2.573 12.594 1.00 0.00 N ATOM 525 CA GLU A 40 2.036 -1.526 11.577 1.00 0.00 C ATOM 526 C GLU A 40 1.062 -1.862 10.442 1.00 0.00 C ATOM 527 O GLU A 40 1.049 -1.180 9.419 1.00 0.00 O ATOM 528 CB GLU A 40 3.439 -1.308 11.008 1.00 0.00 C ATOM 529 CG GLU A 40 4.096 -0.021 11.477 1.00 0.00 C ATOM 530 CD GLU A 40 4.659 -0.125 12.880 1.00 0.00 C ATOM 531 OE1 GLU A 40 3.882 0.038 13.845 1.00 0.00 O ATOM 532 OE2 GLU A 40 5.877 -0.366 13.014 1.00 0.00 O ATOM 0 H GLU A 40 2.998 -3.002 12.713 1.00 0.00 H new ATOM 0 HA GLU A 40 1.678 -0.614 12.055 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.070 -2.151 11.289 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.383 -1.301 9.919 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.898 0.244 10.788 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.366 0.788 11.443 1.00 0.00 H new ATOM 539 N ALA A 41 0.279 -2.934 10.596 1.00 0.00 N ATOM 540 CA ALA A 41 -0.647 -3.349 9.550 1.00 0.00 C ATOM 541 C ALA A 41 -2.120 -3.113 9.887 1.00 0.00 C ATOM 542 O ALA A 41 -2.911 -2.752 9.015 1.00 0.00 O ATOM 543 CB ALA A 41 -0.429 -4.812 9.227 1.00 0.00 C ATOM 0 H ALA A 41 0.271 -3.523 11.429 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.428 -2.721 8.687 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.123 -5.119 8.445 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.595 -4.960 8.883 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.602 -5.412 10.121 1.00 0.00 H new ATOM 549 N LEU A 42 -2.488 -3.343 11.140 1.00 0.00 N ATOM 550 CA LEU A 42 -3.878 -3.192 11.588 1.00 0.00 C ATOM 551 C LEU A 42 -4.549 -1.895 11.112 1.00 0.00 C ATOM 552 O LEU A 42 -5.773 -1.776 11.177 1.00 0.00 O ATOM 553 CB LEU A 42 -3.963 -3.283 13.115 1.00 0.00 C ATOM 554 CG LEU A 42 -2.908 -2.491 13.897 1.00 0.00 C ATOM 555 CD1 LEU A 42 -2.410 -1.298 13.101 1.00 0.00 C ATOM 556 CD2 LEU A 42 -3.475 -2.037 15.230 1.00 0.00 C ATOM 0 H LEU A 42 -1.843 -3.637 11.873 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.426 -4.014 11.128 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.950 -2.939 13.425 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.887 -4.332 13.401 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.058 -3.149 14.078 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.663 -0.758 13.683 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.963 -1.644 12.169 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.246 -0.635 12.878 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.717 -1.476 15.776 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.343 -1.401 15.058 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.773 -2.908 15.814 1.00 0.00 H new ATOM 568 N ARG A 43 -3.768 -0.930 10.639 1.00 0.00 N ATOM 569 CA ARG A 43 -4.316 0.338 10.168 1.00 0.00 C ATOM 570 C ARG A 43 -5.460 0.147 9.178 1.00 0.00 C ATOM 571 O ARG A 43 -6.239 1.067 8.946 1.00 0.00 O ATOM 572 CB ARG A 43 -3.221 1.163 9.527 1.00 0.00 C ATOM 573 CG ARG A 43 -3.023 2.519 10.179 1.00 0.00 C ATOM 574 CD ARG A 43 -2.643 2.372 11.642 1.00 0.00 C ATOM 575 NE ARG A 43 -1.235 2.689 11.876 1.00 0.00 N ATOM 576 CZ ARG A 43 -0.522 2.203 12.889 1.00 0.00 C ATOM 577 NH1 ARG A 43 -1.077 1.376 13.764 1.00 0.00 N ATOM 578 NH2 ARG A 43 0.752 2.543 13.027 1.00 0.00 N ATOM 0 H ARG A 43 -2.753 -1.001 10.571 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.720 0.858 11.037 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.285 0.607 9.572 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.456 1.307 8.472 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.244 3.069 9.651 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.939 3.104 10.095 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.268 3.029 12.247 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.844 1.352 11.968 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.771 3.321 11.223 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.056 1.109 13.663 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.525 1.007 14.538 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.186 3.177 12.357 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.298 2.170 13.804 1.00 0.00 H new ATOM 592 N CYS A 44 -5.562 -1.037 8.591 1.00 0.00 N ATOM 593 CA CYS A 44 -6.621 -1.306 7.633 1.00 0.00 C ATOM 594 C CYS A 44 -7.963 -1.395 8.336 1.00 0.00 C ATOM 595 O CYS A 44 -9.010 -1.348 7.693 1.00 0.00 O ATOM 596 CB CYS A 44 -6.339 -2.586 6.844 1.00 0.00 C ATOM 597 SG CYS A 44 -7.253 -2.708 5.273 1.00 0.00 S ATOM 0 H CYS A 44 -4.930 -1.819 8.760 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.655 -0.478 6.925 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -5.271 -2.644 6.636 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.590 -3.446 7.465 1.00 0.00 H new ATOM 602 N GLN A 45 -7.939 -1.467 9.662 1.00 0.00 N ATOM 603 CA GLN A 45 -9.170 -1.487 10.424 1.00 0.00 C ATOM 604 C GLN A 45 -9.942 -0.218 10.087 1.00 0.00 C ATOM 605 O GLN A 45 -11.172 -0.173 10.128 1.00 0.00 O ATOM 606 CB GLN A 45 -8.876 -1.545 11.922 1.00 0.00 C ATOM 607 CG GLN A 45 -9.443 -2.776 12.614 1.00 0.00 C ATOM 608 CD GLN A 45 -8.889 -2.962 14.012 1.00 0.00 C ATOM 609 OE1 GLN A 45 -9.640 -3.148 14.970 1.00 0.00 O ATOM 610 NE2 GLN A 45 -7.567 -2.913 14.138 1.00 0.00 N ATOM 0 H GLN A 45 -7.088 -1.512 10.222 1.00 0.00 H new ATOM 0 HA GLN A 45 -9.755 -2.371 10.169 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.797 -1.521 12.072 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.284 -0.653 12.397 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.529 -2.693 12.665 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.219 -3.660 12.017 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.982 -2.757 13.317 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.137 -3.032 15.055 1.00 0.00 H new ATOM 619 N GLU A 46 -9.171 0.809 9.735 1.00 0.00 N ATOM 620 CA GLU A 46 -9.695 2.095 9.357 1.00 0.00 C ATOM 621 C GLU A 46 -10.271 2.050 7.948 1.00 0.00 C ATOM 622 O GLU A 46 -10.921 2.996 7.503 1.00 0.00 O ATOM 623 CB GLU A 46 -8.556 3.098 9.407 1.00 0.00 C ATOM 624 CG GLU A 46 -8.331 3.686 10.784 1.00 0.00 C ATOM 625 CD GLU A 46 -7.206 4.702 10.812 1.00 0.00 C ATOM 626 OE1 GLU A 46 -7.082 5.476 9.840 1.00 0.00 O ATOM 627 OE2 GLU A 46 -6.450 4.724 11.807 1.00 0.00 O ATOM 0 H GLU A 46 -8.153 0.758 9.708 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.494 2.380 10.041 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.639 2.612 9.074 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.762 3.906 8.705 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.251 4.160 11.127 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.106 2.882 11.485 1.00 0.00 H new ATOM 634 N GLU A 47 -10.026 0.945 7.249 1.00 0.00 N ATOM 635 CA GLU A 47 -10.525 0.785 5.890 1.00 0.00 C ATOM 636 C GLU A 47 -12.028 0.512 5.886 1.00 0.00 C ATOM 637 O GLU A 47 -12.642 0.387 4.827 1.00 0.00 O ATOM 638 CB GLU A 47 -9.768 -0.344 5.180 1.00 0.00 C ATOM 639 CG GLU A 47 -10.143 -0.528 3.717 1.00 0.00 C ATOM 640 CD GLU A 47 -10.144 -1.986 3.300 1.00 0.00 C ATOM 641 OE1 GLU A 47 -11.190 -2.650 3.461 1.00 0.00 O ATOM 642 OE2 GLU A 47 -9.098 -2.465 2.814 1.00 0.00 O ATOM 0 H GLU A 47 -9.488 0.153 7.600 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.354 1.716 5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.698 -0.146 5.246 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.952 -1.278 5.710 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.131 -0.102 3.541 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.442 0.025 3.092 1.00 0.00 H new ATOM 649 N ASN A 48 -12.624 0.441 7.074 1.00 0.00 N ATOM 650 CA ASN A 48 -14.045 0.203 7.199 1.00 0.00 C ATOM 651 C ASN A 48 -14.840 1.507 7.079 1.00 0.00 C ATOM 652 O ASN A 48 -16.047 1.520 7.309 1.00 0.00 O ATOM 653 CB ASN A 48 -14.343 -0.477 8.538 1.00 0.00 C ATOM 654 CG ASN A 48 -13.888 0.354 9.723 1.00 0.00 C ATOM 655 OD1 ASN A 48 -13.706 1.566 9.613 1.00 0.00 O ATOM 656 ND2 ASN A 48 -13.693 -0.298 10.866 1.00 0.00 N ATOM 0 H ASN A 48 -12.135 0.547 7.963 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.354 -0.453 6.385 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.414 -0.662 8.618 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -13.848 -1.448 8.567 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.381 0.208 11.695 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.856 -1.304 10.914 1.00 0.00 H new ATOM 663 N TYR A 49 -14.156 2.601 6.719 1.00 0.00 N ATOM 664 CA TYR A 49 -14.801 3.914 6.579 1.00 0.00 C ATOM 665 C TYR A 49 -15.020 4.276 5.099 1.00 0.00 C ATOM 666 O TYR A 49 -15.666 3.526 4.368 1.00 0.00 O ATOM 667 CB TYR A 49 -13.950 4.980 7.289 1.00 0.00 C ATOM 668 CG TYR A 49 -14.153 5.069 8.784 1.00 0.00 C ATOM 669 CD1 TYR A 49 -15.027 4.220 9.427 1.00 0.00 C ATOM 670 CD2 TYR A 49 -13.479 6.015 9.543 1.00 0.00 C ATOM 671 CE1 TYR A 49 -15.236 4.302 10.788 1.00 0.00 C ATOM 672 CE2 TYR A 49 -13.675 6.105 10.907 1.00 0.00 C ATOM 673 CZ TYR A 49 -14.557 5.246 11.525 1.00 0.00 C ATOM 674 OH TYR A 49 -14.761 5.332 12.882 1.00 0.00 O ATOM 0 H TYR A 49 -13.156 2.603 6.519 1.00 0.00 H new ATOM 0 HA TYR A 49 -15.785 3.874 7.047 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -12.898 4.773 7.092 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -14.172 5.952 6.849 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -15.559 3.475 8.854 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -12.790 6.692 9.059 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -15.928 3.630 11.273 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -13.140 6.844 11.485 1.00 0.00 H new ATOM 0 HH TYR A 49 -14.205 6.049 13.252 1.00 0.00 H new ATOM 684 N LEU A 50 -14.497 5.430 4.660 1.00 0.00 N ATOM 685 CA LEU A 50 -14.655 5.870 3.289 1.00 0.00 C ATOM 686 C LEU A 50 -13.370 6.524 2.776 1.00 0.00 C ATOM 687 O LEU A 50 -12.778 7.365 3.453 1.00 0.00 O ATOM 688 CB LEU A 50 -15.828 6.847 3.170 1.00 0.00 C ATOM 689 CG LEU A 50 -16.760 6.597 1.982 1.00 0.00 C ATOM 690 CD1 LEU A 50 -17.965 5.774 2.411 1.00 0.00 C ATOM 691 CD2 LEU A 50 -17.207 7.915 1.369 1.00 0.00 C ATOM 0 H LEU A 50 -13.961 6.069 5.246 1.00 0.00 H new ATOM 0 HA LEU A 50 -14.865 4.994 2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -16.414 6.801 4.088 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -15.432 7.860 3.095 1.00 0.00 H new ATOM 0 HG LEU A 50 -16.210 6.034 1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -18.616 5.607 1.553 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -17.629 4.814 2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -18.515 6.310 3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -17.869 7.718 0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -17.738 8.503 2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -16.335 8.470 1.024 1.00 0.00 H new ATOM 703 N PRO A 51 -12.918 6.132 1.573 1.00 0.00 N ATOM 704 CA PRO A 51 -11.692 6.667 0.959 1.00 0.00 C ATOM 705 C PRO A 51 -11.623 8.193 0.975 1.00 0.00 C ATOM 706 O PRO A 51 -12.527 8.862 1.475 1.00 0.00 O ATOM 707 CB PRO A 51 -11.783 6.149 -0.473 1.00 0.00 C ATOM 708 CG PRO A 51 -12.512 4.865 -0.326 1.00 0.00 C ATOM 709 CD PRO A 51 -13.559 5.121 0.710 1.00 0.00 C ATOM 0 HA PRO A 51 -10.798 6.355 1.498 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.319 6.844 -1.119 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.796 6.003 -0.912 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.961 4.557 -1.271 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.840 4.065 -0.016 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -14.484 5.493 0.268 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -13.811 4.217 1.264 1.00 0.00 H new ATOM 717 N SER A 52 -10.538 8.733 0.422 1.00 0.00 N ATOM 718 CA SER A 52 -10.334 10.180 0.371 1.00 0.00 C ATOM 719 C SER A 52 -9.623 10.584 -0.924 1.00 0.00 C ATOM 720 O SER A 52 -9.280 9.728 -1.739 1.00 0.00 O ATOM 721 CB SER A 52 -9.518 10.633 1.587 1.00 0.00 C ATOM 722 OG SER A 52 -8.716 9.579 2.092 1.00 0.00 O ATOM 0 H SER A 52 -9.785 8.189 0.002 1.00 0.00 H new ATOM 0 HA SER A 52 -11.308 10.669 0.391 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.883 11.474 1.308 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.191 10.987 2.368 1.00 0.00 H new ATOM 0 HG SER A 52 -8.058 9.315 1.415 1.00 0.00 H new ATOM 728 N PRO A 53 -9.393 11.896 -1.140 1.00 0.00 N ATOM 729 CA PRO A 53 -8.725 12.393 -2.337 1.00 0.00 C ATOM 730 C PRO A 53 -7.222 12.488 -2.142 1.00 0.00 C ATOM 731 O PRO A 53 -6.687 13.566 -1.884 1.00 0.00 O ATOM 732 CB PRO A 53 -9.323 13.781 -2.489 1.00 0.00 C ATOM 733 CG PRO A 53 -9.535 14.247 -1.087 1.00 0.00 C ATOM 734 CD PRO A 53 -9.765 13.010 -0.242 1.00 0.00 C ATOM 0 HA PRO A 53 -8.866 11.745 -3.202 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.651 14.446 -3.032 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -10.260 13.752 -3.044 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -8.668 14.803 -0.730 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -10.391 14.919 -1.029 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.151 13.020 0.658 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -10.803 12.934 0.081 1.00 0.00 H new ATOM 742 N CYS A 54 -6.546 11.356 -2.243 1.00 0.00 N ATOM 743 CA CYS A 54 -5.104 11.324 -2.056 1.00 0.00 C ATOM 744 C CYS A 54 -4.502 10.058 -2.634 1.00 0.00 C ATOM 745 O CYS A 54 -3.889 9.270 -1.916 1.00 0.00 O ATOM 746 CB CYS A 54 -4.765 11.441 -0.565 1.00 0.00 C ATOM 747 SG CYS A 54 -5.317 10.054 0.511 1.00 0.00 S ATOM 0 H CYS A 54 -6.969 10.452 -2.452 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.674 12.172 -2.589 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.684 11.540 -0.467 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -5.205 12.363 -0.186 1.00 0.00 H new ATOM 752 N GLN A 55 -4.677 9.854 -3.931 1.00 0.00 N ATOM 753 CA GLN A 55 -4.165 8.669 -4.556 1.00 0.00 C ATOM 754 C GLN A 55 -3.203 8.987 -5.695 1.00 0.00 C ATOM 755 O GLN A 55 -2.916 10.150 -5.974 1.00 0.00 O ATOM 756 CB GLN A 55 -5.318 7.809 -5.038 1.00 0.00 C ATOM 757 CG GLN A 55 -6.461 8.605 -5.655 1.00 0.00 C ATOM 758 CD GLN A 55 -7.344 9.279 -4.623 1.00 0.00 C ATOM 759 OE1 GLN A 55 -7.670 10.460 -4.749 1.00 0.00 O ATOM 760 NE2 GLN A 55 -7.732 8.535 -3.594 1.00 0.00 N ATOM 0 H GLN A 55 -5.167 10.494 -4.557 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.591 8.116 -3.813 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.945 7.096 -5.774 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.703 7.229 -4.199 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.049 9.362 -6.322 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.070 7.939 -6.266 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.438 7.560 -3.530 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.324 8.938 -2.868 1.00 0.00 H new ATOM 769 N SER A 56 -2.667 7.929 -6.306 1.00 0.00 N ATOM 770 CA SER A 56 -1.681 8.050 -7.379 1.00 0.00 C ATOM 771 C SER A 56 -0.311 8.277 -6.756 1.00 0.00 C ATOM 772 O SER A 56 -0.066 9.307 -6.129 1.00 0.00 O ATOM 773 CB SER A 56 -2.022 9.178 -8.358 1.00 0.00 C ATOM 774 OG SER A 56 -2.464 8.653 -9.598 1.00 0.00 O ATOM 0 H SER A 56 -2.905 6.965 -6.071 1.00 0.00 H new ATOM 0 HA SER A 56 -1.685 7.127 -7.959 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.797 9.814 -7.931 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.145 9.806 -8.516 1.00 0.00 H new ATOM 0 HG SER A 56 -2.374 9.337 -10.294 1.00 0.00 H new ATOM 780 N GLY A 57 0.568 7.293 -6.891 1.00 0.00 N ATOM 781 CA GLY A 57 1.873 7.388 -6.299 1.00 0.00 C ATOM 782 C GLY A 57 2.532 6.053 -6.315 1.00 0.00 C ATOM 783 O GLY A 57 3.689 5.926 -6.698 1.00 0.00 O ATOM 0 H GLY A 57 0.392 6.429 -7.404 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.479 8.110 -6.847 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.792 7.752 -5.275 1.00 0.00 H new ATOM 787 N GLN A 58 1.767 5.044 -5.936 1.00 0.00 N ATOM 788 CA GLN A 58 2.251 3.703 -5.943 1.00 0.00 C ATOM 789 C GLN A 58 1.830 3.058 -7.237 1.00 0.00 C ATOM 790 O GLN A 58 0.748 2.482 -7.350 1.00 0.00 O ATOM 791 CB GLN A 58 1.671 2.987 -4.765 1.00 0.00 C ATOM 792 CG GLN A 58 2.389 3.368 -3.489 1.00 0.00 C ATOM 793 CD GLN A 58 2.971 2.186 -2.755 1.00 0.00 C ATOM 794 OE1 GLN A 58 4.165 1.903 -2.854 1.00 0.00 O ATOM 795 NE2 GLN A 58 2.123 1.486 -2.014 1.00 0.00 N ATOM 0 H GLN A 58 0.803 5.145 -5.620 1.00 0.00 H new ATOM 0 HA GLN A 58 3.338 3.667 -5.871 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.611 3.227 -4.675 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.742 1.910 -4.919 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.189 4.069 -3.726 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.694 3.889 -2.831 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.142 1.761 -1.964 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.452 0.673 -1.494 1.00 0.00 H new ATOM 804 N LYS A 59 2.683 3.213 -8.223 1.00 0.00 N ATOM 805 CA LYS A 59 2.418 2.717 -9.544 1.00 0.00 C ATOM 806 C LYS A 59 2.405 1.187 -9.626 1.00 0.00 C ATOM 807 O LYS A 59 3.393 0.528 -9.295 1.00 0.00 O ATOM 808 CB LYS A 59 3.448 3.280 -10.516 1.00 0.00 C ATOM 809 CG LYS A 59 4.843 3.364 -9.938 1.00 0.00 C ATOM 810 CD LYS A 59 5.121 4.776 -9.459 1.00 0.00 C ATOM 811 CE LYS A 59 5.826 4.792 -8.114 1.00 0.00 C ATOM 812 NZ LYS A 59 6.784 3.662 -7.961 1.00 0.00 N ATOM 0 H LYS A 59 3.580 3.688 -8.127 1.00 0.00 H new ATOM 0 HA LYS A 59 1.416 3.051 -9.813 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.471 2.656 -11.410 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.133 4.275 -10.830 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.945 2.663 -9.109 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.576 3.076 -10.692 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.734 5.295 -10.196 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.182 5.324 -9.383 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.360 5.735 -7.998 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.084 4.746 -7.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.547 3.940 -7.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.286 2.834 -7.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.189 3.422 -8.888 1.00 0.00 H new ATOM 826 N PRO A 60 1.272 0.609 -10.066 1.00 0.00 N ATOM 827 CA PRO A 60 1.100 -0.838 -10.217 1.00 0.00 C ATOM 828 C PRO A 60 2.336 -1.560 -10.745 1.00 0.00 C ATOM 829 O PRO A 60 3.336 -0.937 -11.100 1.00 0.00 O ATOM 830 CB PRO A 60 -0.024 -0.919 -11.250 1.00 0.00 C ATOM 831 CG PRO A 60 -0.885 0.254 -10.937 1.00 0.00 C ATOM 832 CD PRO A 60 0.040 1.334 -10.432 1.00 0.00 C ATOM 0 HA PRO A 60 0.900 -1.319 -9.260 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.364 -0.869 -12.267 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -0.577 -1.854 -11.166 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.425 0.587 -11.823 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.632 -0.001 -10.185 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.232 2.085 -11.198 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -0.386 1.855 -9.575 1.00 0.00 H new ATOM 840 N CYS A 61 2.242 -2.887 -10.822 1.00 0.00 N ATOM 841 CA CYS A 61 3.330 -3.702 -11.326 1.00 0.00 C ATOM 842 C CYS A 61 2.855 -5.094 -11.722 1.00 0.00 C ATOM 843 O CYS A 61 1.853 -5.602 -11.210 1.00 0.00 O ATOM 844 CB CYS A 61 4.463 -3.822 -10.305 1.00 0.00 C ATOM 845 SG CYS A 61 3.971 -3.514 -8.574 1.00 0.00 S ATOM 0 H CYS A 61 1.417 -3.416 -10.539 1.00 0.00 H new ATOM 0 HA CYS A 61 3.708 -3.196 -12.214 1.00 0.00 H new ATOM 0 HB2 CYS A 61 4.890 -4.822 -10.374 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.251 -3.119 -10.574 1.00 0.00 H new ATOM 850 N GLY A 62 3.597 -5.704 -12.637 1.00 0.00 N ATOM 851 CA GLY A 62 3.271 -7.028 -13.113 1.00 0.00 C ATOM 852 C GLY A 62 3.492 -8.108 -12.070 1.00 0.00 C ATOM 853 O GLY A 62 3.378 -9.296 -12.373 1.00 0.00 O ATOM 0 H GLY A 62 4.430 -5.296 -13.061 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.229 -7.047 -13.431 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.876 -7.251 -13.992 1.00 0.00 H new ATOM 857 N SER A 63 3.821 -7.706 -10.845 1.00 0.00 N ATOM 858 CA SER A 63 4.062 -8.649 -9.781 1.00 0.00 C ATOM 859 C SER A 63 2.786 -8.920 -8.988 1.00 0.00 C ATOM 860 O SER A 63 2.775 -8.845 -7.759 1.00 0.00 O ATOM 861 CB SER A 63 5.169 -8.137 -8.861 1.00 0.00 C ATOM 862 OG SER A 63 5.567 -9.130 -7.936 1.00 0.00 O ATOM 0 H SER A 63 3.925 -6.728 -10.574 1.00 0.00 H new ATOM 0 HA SER A 63 4.385 -9.590 -10.226 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.027 -7.828 -9.458 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.820 -7.255 -8.324 1.00 0.00 H new ATOM 0 HG SER A 63 4.784 -9.449 -7.441 1.00 0.00 H new ATOM 868 N GLY A 64 1.716 -9.248 -9.708 1.00 0.00 N ATOM 869 CA GLY A 64 0.448 -9.548 -9.077 1.00 0.00 C ATOM 870 C GLY A 64 -0.121 -8.408 -8.264 1.00 0.00 C ATOM 871 O GLY A 64 -0.906 -8.629 -7.342 1.00 0.00 O ATOM 0 H GLY A 64 1.709 -9.311 -10.726 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.272 -9.826 -9.847 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.573 -10.415 -8.429 1.00 0.00 H new ATOM 875 N GLY A 65 0.250 -7.192 -8.614 1.00 0.00 N ATOM 876 CA GLY A 65 -0.259 -6.037 -7.911 1.00 0.00 C ATOM 877 C GLY A 65 0.489 -4.751 -8.145 1.00 0.00 C ATOM 878 O GLY A 65 1.069 -4.534 -9.206 1.00 0.00 O ATOM 0 H GLY A 65 0.896 -6.982 -9.374 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.300 -5.889 -8.199 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.251 -6.252 -6.842 1.00 0.00 H new ATOM 882 N ARG A 66 0.434 -3.877 -7.149 1.00 0.00 N ATOM 883 CA ARG A 66 1.074 -2.583 -7.231 1.00 0.00 C ATOM 884 C ARG A 66 2.190 -2.451 -6.213 1.00 0.00 C ATOM 885 O ARG A 66 2.197 -3.143 -5.198 1.00 0.00 O ATOM 886 CB ARG A 66 0.062 -1.447 -7.025 1.00 0.00 C ATOM 887 CG ARG A 66 -1.366 -1.781 -7.452 1.00 0.00 C ATOM 888 CD ARG A 66 -1.406 -2.481 -8.800 1.00 0.00 C ATOM 889 NE ARG A 66 -2.747 -2.540 -9.363 1.00 0.00 N ATOM 890 CZ ARG A 66 -3.672 -3.403 -8.969 1.00 0.00 C ATOM 891 NH1 ARG A 66 -3.411 -4.254 -7.988 1.00 0.00 N ATOM 892 NH2 ARG A 66 -4.859 -3.413 -9.553 1.00 0.00 N ATOM 0 H ARG A 66 -0.053 -4.049 -6.270 1.00 0.00 H new ATOM 0 HA ARG A 66 1.499 -2.504 -8.232 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.056 -1.170 -5.971 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.399 -0.573 -7.582 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.831 -2.417 -6.699 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.954 -0.864 -7.501 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.747 -1.960 -9.495 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.017 -3.494 -8.691 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.988 -1.880 -10.102 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.497 -4.245 -7.535 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.124 -4.918 -7.686 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.062 -2.756 -10.307 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.571 -4.077 -9.250 1.00 0.00 H new ATOM 906 N CYS A 67 3.129 -1.547 -6.486 1.00 0.00 N ATOM 907 CA CYS A 67 4.245 -1.317 -5.585 1.00 0.00 C ATOM 908 C CYS A 67 3.731 -0.914 -4.219 1.00 0.00 C ATOM 909 O CYS A 67 2.717 -0.227 -4.106 1.00 0.00 O ATOM 910 CB CYS A 67 5.183 -0.247 -6.142 1.00 0.00 C ATOM 911 SG CYS A 67 6.754 -0.088 -5.231 1.00 0.00 S ATOM 0 H CYS A 67 3.135 -0.965 -7.324 1.00 0.00 H new ATOM 0 HA CYS A 67 4.811 -2.244 -5.490 1.00 0.00 H new ATOM 0 HB2 CYS A 67 5.402 -0.478 -7.185 1.00 0.00 H new ATOM 0 HB3 CYS A 67 4.669 0.714 -6.129 1.00 0.00 H new ATOM 916 N ALA A 68 4.415 -1.369 -3.185 1.00 0.00 N ATOM 917 CA ALA A 68 4.001 -1.079 -1.831 1.00 0.00 C ATOM 918 C ALA A 68 5.182 -0.717 -0.935 1.00 0.00 C ATOM 919 O ALA A 68 5.596 0.440 -0.858 1.00 0.00 O ATOM 920 CB ALA A 68 3.233 -2.276 -1.280 1.00 0.00 C ATOM 0 H ALA A 68 5.257 -1.939 -3.260 1.00 0.00 H new ATOM 0 HA ALA A 68 3.350 -0.205 -1.845 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.917 -2.066 -0.258 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.356 -2.463 -1.900 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.877 -3.156 -1.287 1.00 0.00 H new ATOM 926 N ALA A 69 5.676 -1.718 -0.240 1.00 0.00 N ATOM 927 CA ALA A 69 6.783 -1.583 0.677 1.00 0.00 C ATOM 928 C ALA A 69 8.116 -1.494 -0.036 1.00 0.00 C ATOM 929 O ALA A 69 8.158 -1.389 -1.262 1.00 0.00 O ATOM 930 CB ALA A 69 6.769 -2.752 1.635 1.00 0.00 C ATOM 0 H ALA A 69 5.310 -2.668 -0.299 1.00 0.00 H new ATOM 0 HA ALA A 69 6.662 -0.648 1.223 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.601 -2.661 2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.830 -2.757 2.189 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.865 -3.682 1.075 1.00 0.00 H new ATOM 936 N ALA A 70 9.219 -1.522 0.735 1.00 0.00 N ATOM 937 CA ALA A 70 10.540 -1.450 0.128 1.00 0.00 C ATOM 938 C ALA A 70 10.591 -2.408 -1.020 1.00 0.00 C ATOM 939 O ALA A 70 10.794 -3.601 -0.812 1.00 0.00 O ATOM 940 CB ALA A 70 11.649 -1.812 1.099 1.00 0.00 C ATOM 0 H ALA A 70 9.214 -1.592 1.753 1.00 0.00 H new ATOM 0 HA ALA A 70 10.698 -0.420 -0.193 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.612 -1.742 0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.631 -1.124 1.944 1.00 0.00 H new ATOM 0 HB3 ALA A 70 11.501 -2.831 1.457 1.00 0.00 H new ATOM 946 N GLY A 71 10.331 -1.918 -2.214 1.00 0.00 N ATOM 947 CA GLY A 71 10.304 -2.803 -3.332 1.00 0.00 C ATOM 948 C GLY A 71 9.354 -3.936 -3.073 1.00 0.00 C ATOM 949 O GLY A 71 9.762 -5.074 -2.876 1.00 0.00 O ATOM 0 H GLY A 71 10.142 -0.937 -2.421 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.999 -2.261 -4.227 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.304 -3.193 -3.521 1.00 0.00 H new ATOM 953 N ILE A 72 8.083 -3.618 -3.083 1.00 0.00 N ATOM 954 CA ILE A 72 7.057 -4.594 -2.859 1.00 0.00 C ATOM 955 C ILE A 72 5.928 -4.345 -3.821 1.00 0.00 C ATOM 956 O ILE A 72 5.629 -3.210 -4.162 1.00 0.00 O ATOM 957 CB ILE A 72 6.503 -4.558 -1.414 1.00 0.00 C ATOM 958 CG1 ILE A 72 7.449 -5.268 -0.436 1.00 0.00 C ATOM 959 CG2 ILE A 72 5.096 -5.159 -1.342 1.00 0.00 C ATOM 960 CD1 ILE A 72 7.328 -6.773 -0.420 1.00 0.00 C ATOM 0 H ILE A 72 7.735 -2.673 -3.247 1.00 0.00 H new ATOM 0 HA ILE A 72 7.501 -5.577 -3.015 1.00 0.00 H new ATOM 0 HB ILE A 72 6.437 -3.511 -1.117 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.476 -5.002 -0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.260 -4.891 0.569 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.735 -5.119 -0.314 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.424 -4.590 -1.985 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.126 -6.196 -1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.034 -7.187 0.300 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.314 -7.053 -0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.549 -7.166 -1.412 1.00 0.00 H new ATOM 972 N CYS A 73 5.307 -5.412 -4.234 1.00 0.00 N ATOM 973 CA CYS A 73 4.204 -5.352 -5.131 1.00 0.00 C ATOM 974 C CYS A 73 3.160 -6.295 -4.575 1.00 0.00 C ATOM 975 O CYS A 73 3.335 -7.517 -4.569 1.00 0.00 O ATOM 976 CB CYS A 73 4.663 -5.679 -6.558 1.00 0.00 C ATOM 977 SG CYS A 73 3.436 -5.342 -7.859 1.00 0.00 S ATOM 0 H CYS A 73 5.561 -6.358 -3.950 1.00 0.00 H new ATOM 0 HA CYS A 73 3.768 -4.356 -5.208 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.565 -5.106 -6.773 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.937 -6.733 -6.603 1.00 0.00 H new ATOM 982 N CYS A 74 2.138 -5.700 -3.973 1.00 0.00 N ATOM 983 CA CYS A 74 1.129 -6.465 -3.272 1.00 0.00 C ATOM 984 C CYS A 74 -0.072 -6.874 -4.099 1.00 0.00 C ATOM 985 O CYS A 74 -0.460 -6.218 -5.061 1.00 0.00 O ATOM 986 CB CYS A 74 0.677 -5.697 -2.038 1.00 0.00 C ATOM 987 SG CYS A 74 0.180 -6.767 -0.655 1.00 0.00 S ATOM 0 H CYS A 74 1.991 -4.691 -3.959 1.00 0.00 H new ATOM 0 HA CYS A 74 1.612 -7.404 -3.002 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.487 -5.045 -1.709 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.161 -5.054 -2.308 1.00 0.00 H new ATOM 992 N SER A 75 -0.657 -7.984 -3.661 1.00 0.00 N ATOM 993 CA SER A 75 -1.824 -8.570 -4.269 1.00 0.00 C ATOM 994 C SER A 75 -2.963 -8.617 -3.252 1.00 0.00 C ATOM 995 O SER A 75 -2.801 -8.169 -2.117 1.00 0.00 O ATOM 996 CB SER A 75 -1.495 -9.975 -4.782 1.00 0.00 C ATOM 997 OG SER A 75 -0.222 -10.001 -5.403 1.00 0.00 O ATOM 0 H SER A 75 -0.317 -8.506 -2.853 1.00 0.00 H new ATOM 0 HA SER A 75 -2.138 -7.961 -5.116 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.514 -10.683 -3.953 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.257 -10.295 -5.492 1.00 0.00 H new ATOM 0 HG SER A 75 -0.105 -9.192 -5.944 1.00 0.00 H new ATOM 1003 N PRO A 76 -4.133 -9.148 -3.636 1.00 0.00 N ATOM 1004 CA PRO A 76 -5.288 -9.232 -2.740 1.00 0.00 C ATOM 1005 C PRO A 76 -5.099 -10.290 -1.654 1.00 0.00 C ATOM 1006 O PRO A 76 -5.882 -10.363 -0.708 1.00 0.00 O ATOM 1007 CB PRO A 76 -6.438 -9.651 -3.666 1.00 0.00 C ATOM 1008 CG PRO A 76 -5.918 -9.494 -5.056 1.00 0.00 C ATOM 1009 CD PRO A 76 -4.437 -9.693 -4.960 1.00 0.00 C ATOM 0 HA PRO A 76 -5.457 -8.291 -2.217 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -6.738 -10.681 -3.475 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -7.317 -9.027 -3.505 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.368 -10.225 -5.727 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.155 -8.507 -5.454 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.162 -10.745 -5.039 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.904 -9.164 -5.750 1.00 0.00 H new ATOM 1017 N ASP A 77 -4.060 -11.111 -1.798 1.00 0.00 N ATOM 1018 CA ASP A 77 -3.774 -12.166 -0.828 1.00 0.00 C ATOM 1019 C ASP A 77 -2.538 -11.833 0.014 1.00 0.00 C ATOM 1020 O ASP A 77 -2.466 -12.198 1.187 1.00 0.00 O ATOM 1021 CB ASP A 77 -3.569 -13.499 -1.550 1.00 0.00 C ATOM 1022 CG ASP A 77 -4.650 -14.508 -1.217 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -5.796 -14.085 -0.959 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -4.351 -15.720 -1.216 1.00 0.00 O ATOM 0 H ASP A 77 -3.403 -11.066 -2.577 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.628 -12.244 -0.156 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.555 -13.328 -2.626 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.596 -13.910 -1.280 1.00 0.00 H new ATOM 1029 N GLY A 78 -1.569 -11.141 -0.586 1.00 0.00 N ATOM 1030 CA GLY A 78 -0.365 -10.779 0.130 1.00 0.00 C ATOM 1031 C GLY A 78 0.639 -10.041 -0.737 1.00 0.00 C ATOM 1032 O GLY A 78 0.490 -9.984 -1.958 1.00 0.00 O ATOM 0 H GLY A 78 -1.601 -10.827 -1.556 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.630 -10.154 0.983 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.100 -11.681 0.528 1.00 0.00 H new ATOM 1036 N CYS A 79 1.660 -9.462 -0.105 1.00 0.00 N ATOM 1037 CA CYS A 79 2.678 -8.730 -0.828 1.00 0.00 C ATOM 1038 C CYS A 79 3.920 -9.576 -1.070 1.00 0.00 C ATOM 1039 O CYS A 79 4.119 -10.616 -0.441 1.00 0.00 O ATOM 1040 CB CYS A 79 3.078 -7.462 -0.071 1.00 0.00 C ATOM 1041 SG CYS A 79 1.696 -6.532 0.665 1.00 0.00 S ATOM 0 H CYS A 79 1.796 -9.490 0.905 1.00 0.00 H new ATOM 0 HA CYS A 79 2.246 -8.461 -1.792 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.774 -7.735 0.722 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.615 -6.804 -0.754 1.00 0.00 H new ATOM 1046 N GLU A 80 4.761 -9.093 -1.973 1.00 0.00 N ATOM 1047 CA GLU A 80 6.004 -9.750 -2.308 1.00 0.00 C ATOM 1048 C GLU A 80 7.008 -8.716 -2.787 1.00 0.00 C ATOM 1049 O GLU A 80 6.640 -7.763 -3.476 1.00 0.00 O ATOM 1050 CB GLU A 80 5.787 -10.825 -3.369 1.00 0.00 C ATOM 1051 CG GLU A 80 5.400 -10.273 -4.733 1.00 0.00 C ATOM 1052 CD GLU A 80 6.440 -10.571 -5.797 1.00 0.00 C ATOM 1053 OE1 GLU A 80 7.485 -9.887 -5.813 1.00 0.00 O ATOM 1054 OE2 GLU A 80 6.210 -11.488 -6.613 1.00 0.00 O ATOM 0 H GLU A 80 4.595 -8.231 -2.493 1.00 0.00 H new ATOM 0 HA GLU A 80 6.394 -10.243 -1.417 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.700 -11.411 -3.471 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.007 -11.506 -3.028 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.443 -10.699 -5.035 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.260 -9.195 -4.658 1.00 0.00 H new ATOM 1061 N GLU A 81 8.270 -8.886 -2.409 1.00 0.00 N ATOM 1062 CA GLU A 81 9.297 -7.944 -2.792 1.00 0.00 C ATOM 1063 C GLU A 81 9.397 -7.868 -4.301 1.00 0.00 C ATOM 1064 O GLU A 81 9.751 -8.848 -4.951 1.00 0.00 O ATOM 1065 CB GLU A 81 10.637 -8.347 -2.182 1.00 0.00 C ATOM 1066 CG GLU A 81 10.917 -9.823 -2.282 1.00 0.00 C ATOM 1067 CD GLU A 81 11.405 -10.425 -0.979 1.00 0.00 C ATOM 1068 OE1 GLU A 81 12.597 -10.248 -0.650 1.00 0.00 O ATOM 1069 OE2 GLU A 81 10.594 -11.076 -0.289 1.00 0.00 O ATOM 0 H GLU A 81 8.599 -9.666 -1.840 1.00 0.00 H new ATOM 0 HA GLU A 81 9.031 -6.957 -2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.435 -7.798 -2.681 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.655 -8.051 -1.133 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.009 -10.338 -2.596 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.665 -9.993 -3.057 1.00 0.00 H new ATOM 1076 N ASP A 82 9.068 -6.707 -4.855 1.00 0.00 N ATOM 1077 CA ASP A 82 9.099 -6.521 -6.283 1.00 0.00 C ATOM 1078 C ASP A 82 10.416 -5.886 -6.732 1.00 0.00 C ATOM 1079 O ASP A 82 10.656 -4.699 -6.524 1.00 0.00 O ATOM 1080 CB ASP A 82 7.894 -5.683 -6.739 1.00 0.00 C ATOM 1081 CG ASP A 82 7.817 -4.335 -6.063 1.00 0.00 C ATOM 1082 OD1 ASP A 82 8.772 -3.978 -5.359 1.00 0.00 O ATOM 1083 OD2 ASP A 82 6.808 -3.625 -6.258 1.00 0.00 O ATOM 0 H ASP A 82 8.777 -5.884 -4.327 1.00 0.00 H new ATOM 0 HA ASP A 82 9.034 -7.501 -6.756 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.948 -5.539 -7.818 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.977 -6.237 -6.537 1.00 0.00 H new ATOM 1088 N PRO A 83 11.288 -6.701 -7.359 1.00 0.00 N ATOM 1089 CA PRO A 83 12.584 -6.273 -7.873 1.00 0.00 C ATOM 1090 C PRO A 83 12.418 -5.121 -8.828 1.00 0.00 C ATOM 1091 O PRO A 83 13.366 -4.450 -9.228 1.00 0.00 O ATOM 1092 CB PRO A 83 13.104 -7.515 -8.599 1.00 0.00 C ATOM 1093 CG PRO A 83 12.417 -8.638 -7.927 1.00 0.00 C ATOM 1094 CD PRO A 83 11.054 -8.109 -7.606 1.00 0.00 C ATOM 0 HA PRO A 83 13.262 -5.923 -7.095 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.869 -7.483 -9.663 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.187 -7.602 -8.514 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.360 -9.513 -8.575 1.00 0.00 H new ATOM 0 HG3 PRO A 83 12.946 -8.944 -7.024 1.00 0.00 H new ATOM 0 HD2 PRO A 83 10.359 -8.262 -8.432 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.626 -8.604 -6.734 1.00 0.00 H new ATOM 1102 N ALA A 84 11.180 -4.889 -9.148 1.00 0.00 N ATOM 1103 CA ALA A 84 10.790 -3.823 -9.986 1.00 0.00 C ATOM 1104 C ALA A 84 10.843 -2.517 -9.210 1.00 0.00 C ATOM 1105 O ALA A 84 10.997 -1.439 -9.783 1.00 0.00 O ATOM 1106 CB ALA A 84 9.386 -4.116 -10.455 1.00 0.00 C ATOM 0 H ALA A 84 10.401 -5.459 -8.818 1.00 0.00 H new ATOM 0 HA ALA A 84 11.458 -3.725 -10.842 1.00 0.00 H new ATOM 0 HB1 ALA A 84 9.045 -3.313 -11.108 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.375 -5.058 -11.003 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.722 -4.189 -9.593 1.00 0.00 H new ATOM 1112 N CYS A 85 10.626 -2.631 -7.900 1.00 0.00 N ATOM 1113 CA CYS A 85 10.563 -1.473 -7.039 1.00 0.00 C ATOM 1114 C CYS A 85 11.725 -1.243 -6.036 1.00 0.00 C ATOM 1115 O CYS A 85 11.929 -0.083 -5.676 1.00 0.00 O ATOM 1116 CB CYS A 85 9.231 -1.463 -6.298 1.00 0.00 C ATOM 1117 SG CYS A 85 8.161 -0.042 -6.694 1.00 0.00 S ATOM 0 H CYS A 85 10.492 -3.521 -7.420 1.00 0.00 H new ATOM 0 HA CYS A 85 10.668 -0.638 -7.731 1.00 0.00 H new ATOM 0 HB2 CYS A 85 8.694 -2.383 -6.529 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.425 -1.468 -5.226 1.00 0.00 H new ATOM 1122 N ASP A 86 12.481 -2.259 -5.520 1.00 0.00 N ATOM 1123 CA ASP A 86 13.532 -1.866 -4.516 1.00 0.00 C ATOM 1124 C ASP A 86 14.400 -2.920 -3.769 1.00 0.00 C ATOM 1125 O ASP A 86 15.487 -2.559 -3.317 1.00 0.00 O ATOM 1126 CB ASP A 86 12.841 -1.121 -3.376 1.00 0.00 C ATOM 1127 CG ASP A 86 13.786 -0.260 -2.558 1.00 0.00 C ATOM 1128 OD1 ASP A 86 14.630 -0.829 -1.833 1.00 0.00 O ATOM 1129 OD2 ASP A 86 13.672 0.981 -2.630 1.00 0.00 O ATOM 0 H ASP A 86 12.405 -3.251 -5.746 1.00 0.00 H new ATOM 0 HA ASP A 86 14.226 -1.339 -5.171 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.053 -0.491 -3.789 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.359 -1.845 -2.718 1.00 0.00 H new ATOM 1134 N PRO A 87 13.939 -4.145 -3.467 1.00 0.00 N ATOM 1135 CA PRO A 87 14.681 -5.084 -2.624 1.00 0.00 C ATOM 1136 C PRO A 87 15.299 -6.186 -3.420 1.00 0.00 C ATOM 1137 O PRO A 87 16.507 -6.231 -3.649 1.00 0.00 O ATOM 1138 CB PRO A 87 13.553 -5.633 -1.734 1.00 0.00 C ATOM 1139 CG PRO A 87 12.288 -5.134 -2.363 1.00 0.00 C ATOM 1140 CD PRO A 87 12.659 -4.724 -3.759 1.00 0.00 C ATOM 0 HA PRO A 87 15.514 -4.627 -2.090 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.573 -6.722 -1.698 1.00 0.00 H new ATOM 0 HB3 PRO A 87 13.651 -5.278 -0.708 1.00 0.00 H new ATOM 0 HG2 PRO A 87 11.524 -5.911 -2.374 1.00 0.00 H new ATOM 0 HG3 PRO A 87 11.879 -4.292 -1.804 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.721 -5.567 -4.447 1.00 0.00 H new ATOM 0 HD3 PRO A 87 11.959 -4.010 -4.192 1.00 0.00 H new ATOM 1148 N GLU A 88 14.424 -7.025 -3.907 1.00 0.00 N ATOM 1149 CA GLU A 88 14.805 -8.096 -4.774 1.00 0.00 C ATOM 1150 C GLU A 88 15.216 -7.426 -6.089 1.00 0.00 C ATOM 1151 O GLU A 88 15.738 -8.044 -7.017 1.00 0.00 O ATOM 1152 CB GLU A 88 13.605 -9.041 -4.936 1.00 0.00 C ATOM 1153 CG GLU A 88 13.944 -10.413 -5.498 1.00 0.00 C ATOM 1154 CD GLU A 88 12.734 -11.328 -5.568 1.00 0.00 C ATOM 1155 OE1 GLU A 88 11.706 -11.006 -4.935 1.00 0.00 O ATOM 1156 OE2 GLU A 88 12.814 -12.365 -6.258 1.00 0.00 O ATOM 0 H GLU A 88 13.424 -6.980 -3.710 1.00 0.00 H new ATOM 0 HA GLU A 88 15.630 -8.700 -4.396 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.128 -9.170 -3.964 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.873 -8.567 -5.590 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.367 -10.299 -6.496 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.711 -10.877 -4.878 1.00 0.00 H new ATOM 1163 N ALA A 89 14.966 -6.110 -6.084 1.00 0.00 N ATOM 1164 CA ALA A 89 15.251 -5.173 -7.146 1.00 0.00 C ATOM 1165 C ALA A 89 16.728 -4.815 -7.217 1.00 0.00 C ATOM 1166 O ALA A 89 17.593 -5.524 -6.705 1.00 0.00 O ATOM 1167 CB ALA A 89 14.452 -3.910 -6.831 1.00 0.00 C ATOM 0 H ALA A 89 14.531 -5.656 -5.281 1.00 0.00 H new ATOM 0 HA ALA A 89 14.983 -5.616 -8.105 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.631 -3.164 -7.605 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.389 -4.151 -6.797 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.765 -3.513 -5.865 1.00 0.00 H new ATOM 1173 N ALA A 90 16.979 -3.660 -7.816 1.00 0.00 N ATOM 1174 CA ALA A 90 18.302 -3.103 -7.922 1.00 0.00 C ATOM 1175 C ALA A 90 18.759 -2.748 -6.524 1.00 0.00 C ATOM 1176 O ALA A 90 18.001 -2.934 -5.573 1.00 0.00 O ATOM 1177 CB ALA A 90 18.257 -1.838 -8.759 1.00 0.00 C ATOM 0 H ALA A 90 16.255 -3.083 -8.244 1.00 0.00 H new ATOM 0 HA ALA A 90 18.980 -3.817 -8.390 1.00 0.00 H new ATOM 0 HB1 ALA A 90 19.260 -1.418 -8.838 1.00 0.00 H new ATOM 0 HB2 ALA A 90 17.883 -2.074 -9.755 1.00 0.00 H new ATOM 0 HB3 ALA A 90 17.596 -1.112 -8.286 1.00 0.00 H new ATOM 1183 N PHE A 91 19.950 -2.193 -6.378 1.00 0.00 N ATOM 1184 CA PHE A 91 20.386 -1.790 -5.052 1.00 0.00 C ATOM 1185 C PHE A 91 19.613 -0.526 -4.695 1.00 0.00 C ATOM 1186 O PHE A 91 20.180 0.551 -4.515 1.00 0.00 O ATOM 1187 CB PHE A 91 21.895 -1.527 -5.032 1.00 0.00 C ATOM 1188 CG PHE A 91 22.634 -2.365 -4.031 1.00 0.00 C ATOM 1189 CD1 PHE A 91 22.665 -3.744 -4.151 1.00 0.00 C ATOM 1190 CD2 PHE A 91 23.296 -1.772 -2.968 1.00 0.00 C ATOM 1191 CE1 PHE A 91 23.343 -4.518 -3.228 1.00 0.00 C ATOM 1192 CE2 PHE A 91 23.976 -2.541 -2.043 1.00 0.00 C ATOM 1193 CZ PHE A 91 23.998 -3.916 -2.172 1.00 0.00 C ATOM 0 H PHE A 91 20.613 -2.015 -7.133 1.00 0.00 H new ATOM 0 HA PHE A 91 20.192 -2.580 -4.326 1.00 0.00 H new ATOM 0 HB2 PHE A 91 22.302 -1.717 -6.025 1.00 0.00 H new ATOM 0 HB3 PHE A 91 22.070 -0.474 -4.812 1.00 0.00 H new ATOM 0 HD1 PHE A 91 22.154 -4.220 -4.975 1.00 0.00 H new ATOM 0 HD2 PHE A 91 23.280 -0.697 -2.861 1.00 0.00 H new ATOM 0 HE1 PHE A 91 23.360 -5.593 -3.333 1.00 0.00 H new ATOM 0 HE2 PHE A 91 24.490 -2.067 -1.220 1.00 0.00 H new ATOM 0 HZ PHE A 91 24.526 -4.519 -1.448 1.00 0.00 H new ATOM 1203 N SER A 92 18.291 -0.689 -4.625 1.00 0.00 N ATOM 1204 CA SER A 92 17.375 0.395 -4.328 1.00 0.00 C ATOM 1205 C SER A 92 16.983 0.398 -2.853 1.00 0.00 C ATOM 1206 O SER A 92 17.084 -0.670 -2.212 1.00 0.00 O ATOM 1207 CB SER A 92 16.131 0.273 -5.225 1.00 0.00 C ATOM 1208 OG SER A 92 15.026 0.946 -4.650 1.00 0.00 O ATOM 1209 OXT SER A 92 16.576 1.467 -2.351 1.00 0.00 O ATOM 0 H SER A 92 17.830 -1.586 -4.775 1.00 0.00 H new ATOM 0 HA SER A 92 17.873 1.343 -4.533 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.345 0.691 -6.209 1.00 0.00 H new ATOM 0 HB3 SER A 92 15.885 -0.779 -5.372 1.00 0.00 H new ATOM 0 HG SER A 92 14.247 0.856 -5.237 1.00 0.00 H new TER 1215 SER A 92